smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCNC(=O)CN(C)Cc1ccc(Br)cc1O ZINC000691679484 744871086 /nfs/dbraw/zinc/87/10/86/744871086.db2.gz SBZJDSPRKNKPPE-UHFFFAOYSA-N 0 0 301.184 1.723 20 10 DDCDRN C[C@@H](CN1CCCC1=O)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588405670 733580061 /nfs/dbraw/zinc/58/00/61/733580061.db2.gz KCRQPJSYOGOLQE-XOIDGJRKSA-N 0 0 304.346 1.238 20 10 DDCDRN CN(C)c1cccc(CNC(=O)/C=C\c2ccc(O)c(O)c2)n1 ZINC000588408604 733614843 /nfs/dbraw/zinc/61/48/43/733614843.db2.gz LSGRPKVRRAAFOZ-CLFYSBASSA-N 0 0 313.357 1.888 20 10 DDCDRN COc1ccc(N(c2ccc(N)cc2)S(C)(=O)=O)c(CO)c1 ZINC001211745258 739331421 /nfs/dbraw/zinc/33/14/21/739331421.db2.gz MVYWSMUIKQPFON-UHFFFAOYSA-N 0 0 322.386 1.867 20 10 DDCDRN COCCOc1cc(NCCc2cc(O)c(O)cc2O)ccn1 ZINC001168013040 740610513 /nfs/dbraw/zinc/61/05/13/740610513.db2.gz AUKGBKIZABPJFG-UHFFFAOYSA-N 0 0 320.345 1.878 20 10 DDCDRN C[C@@H](O)CC(=O)Nc1c(N)ccc2c1C(=O)c1ccccc1C2=O ZINC001181353720 743162769 /nfs/dbraw/zinc/16/27/69/743162769.db2.gz QMDMHCIXNTXZSQ-SECBINFHSA-N 0 0 324.336 1.754 20 10 DDCDRN O=C(CCc1ccc(O)c(O)c1)N1CCC[C@@H](n2cncn2)C1 ZINC001182155222 743501057 /nfs/dbraw/zinc/50/10/57/743501057.db2.gz SIRMHOKJKDLVQW-CYBMUJFWSA-N 0 0 316.361 1.486 20 10 DDCDRN COC(=O)[C@H]1CC[C@H](NC(=O)CCc2ccc(O)c(O)c2)C1 ZINC001182155868 743501934 /nfs/dbraw/zinc/50/19/34/743501934.db2.gz UJDFAVDDLIUPDL-RYUDHWBXSA-N 0 0 307.346 1.488 20 10 DDCDRN O=C(NCCc1cc(O)c(O)cc1O)[C@@H]1C[C@@H]1C(F)(F)F ZINC001182324141 743568533 /nfs/dbraw/zinc/56/85/33/743568533.db2.gz VCZSNJCZJXAAHG-SFYZADRCSA-N 0 0 305.252 1.661 20 10 DDCDRN CC1(C)OC(=O)C[C@H]1C(=O)N1CCCc2cc(O)c(O)cc2C1 ZINC001182753380 743705616 /nfs/dbraw/zinc/70/56/16/743705616.db2.gz OFBHRRJVHMPRAU-LBPRGKRZSA-N 0 0 319.357 1.714 20 10 DDCDRN CCOC(=O)[C@H]1CN(Cc2ccc(OC)cc2O)CCC1=O ZINC001203621426 744262759 /nfs/dbraw/zinc/26/27/59/744262759.db2.gz 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/nfs/dbraw/zinc/28/74/66/758287466.db2.gz XDEUJHXTXHBZDN-GFCCVEGCSA-N 0 0 322.361 1.583 20 10 DDCDRN COC(=O)c1cc([N+](=O)[O-])cc(NCc2ccc(O)c(O)c2)n1 ZINC001169990678 763524095 /nfs/dbraw/zinc/52/40/95/763524095.db2.gz LSAUAXBDOVNJHA-UHFFFAOYSA-N 0 0 319.273 1.800 20 10 DDCDRN COC(=O)c1cc(C)nc(NCC(=O)c2ccc(O)c(O)c2)n1 ZINC001170314232 766245576 /nfs/dbraw/zinc/24/55/76/766245576.db2.gz UKALBUVFHHVESK-UHFFFAOYSA-N 0 0 317.301 1.278 20 10 DDCDRN COc1ncc(OC)c(NCC(=O)c2ccc(O)c(O)c2)n1 ZINC001170316908 766247410 /nfs/dbraw/zinc/24/74/10/766247410.db2.gz UWMNWUPSJOFIBM-UHFFFAOYSA-N 0 0 305.290 1.200 20 10 DDCDRN CCOc1nc(NCC(=O)c2ccc(O)c(O)c2)ncc1OC ZINC001170316799 766247501 /nfs/dbraw/zinc/24/75/01/766247501.db2.gz OUQWYLNNIFGFPK-UHFFFAOYSA-N 0 0 319.317 1.590 20 10 DDCDRN C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001136290711 771930634 /nfs/dbraw/zinc/93/06/34/771930634.db2.gz XAYPGNQVCVRDSF-GXSJLCMTSA-N 0 0 317.349 1.575 20 10 DDCDRN O=C(Cc1ccc(O)c(O)c1)Nc1cnn(Cc2ccccn2)c1 ZINC001136550978 772007154 /nfs/dbraw/zinc/00/71/54/772007154.db2.gz IMQYVBLIQAVPLM-UHFFFAOYSA-N 0 0 324.340 1.919 20 10 DDCDRN O=C(CN1C(=O)CSC1=S)Nc1ccn2ccnc2c1 ZINC001144841426 772641117 /nfs/dbraw/zinc/64/11/17/772641117.db2.gz GPSOIAWUBPSAKE-UHFFFAOYSA-N 0 0 306.372 1.133 20 10 DDCDRN COc1ccc(N2CC[C@@H](NC(=O)CCCCCO)C2)cc1 ZINC001146949767 772984818 /nfs/dbraw/zinc/98/48/18/772984818.db2.gz HIBWBJKPEOQERT-CQSZACIVSA-N 0 0 306.406 1.943 20 10 DDCDRN CC1=C(C(=O)NCC(=O)c2ccc(O)c(O)c2)SC(C)N1 ZINC001147745601 773229538 /nfs/dbraw/zinc/22/95/38/773229538.db2.gz NOIWPRXZNVIWRT-UHFFFAOYSA-N 0 0 307.351 1.474 20 10 DDCDRN COc1ccc(C(=O)NCCc2cc(O)c(O)cc2O)cc1O ZINC001148267078 773416242 /nfs/dbraw/zinc/41/62/42/773416242.db2.gz GLLBEAZHKSOJHC-UHFFFAOYSA-N 0 0 319.313 1.490 20 10 DDCDRN O=C(Cc1cnn(-c2ccccc2)n1)NCc1c(O)cccc1O ZINC001178911727 779225176 /nfs/dbraw/zinc/22/51/76/779225176.db2.gz OZTULMIOOQFQDI-UHFFFAOYSA-N 0 0 324.340 1.537 20 10 DDCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1NC(=O)c2ccccc21 ZINC001179691221 779449190 /nfs/dbraw/zinc/44/91/90/779449190.db2.gz CPQXVYVSQKGMBR-IQIBNGDESA-N 0 0 310.309 1.669 20 10 DDCDRN Nc1ncc(Cl)nc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001179683031 779462064 /nfs/dbraw/zinc/46/20/64/779462064.db2.gz IXXPXGAONSRWHC-DUXPYHPUSA-N 0 0 306.709 1.775 20 10 DDCDRN N=c1c(N)cnc(Cl)n1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC001179683799 779462395 /nfs/dbraw/zinc/46/23/95/779462395.db2.gz YHPKZALLORUYJW-IXTIUZKESA-N 0 0 306.709 1.363 20 10 DDCDRN COC(=O)c1onc(C)c1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001179683665 779462560 /nfs/dbraw/zinc/46/25/60/779462560.db2.gz RQONWDBLKSRSCZ-GQCTYLIASA-N 0 0 318.285 1.833 20 10 DDCDRN CN(C)c1ccc(/C=C/C(=O)N2CC[C@@](C)(CO)[C@@H](O)C2)cc1 ZINC001180122807 779631030 /nfs/dbraw/zinc/63/10/30/779631030.db2.gz GPGAVXYQCOFCLJ-YKLDRSPPSA-N 0 0 318.417 1.358 20 10 DDCDRN CC[C@@H]([NH2+]Cc1ccc(OC)c(Cn2cccn2)c1)C(=O)[O-] ZINC001119064713 781310677 /nfs/dbraw/zinc/31/06/77/781310677.db2.gz 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862082355 /nfs/dbraw/zinc/08/23/55/862082355.db2.gz GLRIVQUUWKZOAN-UHFFFAOYSA-N 0 0 313.360 1.473 20 10 DDCDRN COc1ccc(N2CCC3(CCN(C4COC4)C3=O)CC2)cc1 ZINC001274790727 852601234 /nfs/dbraw/zinc/60/12/34/852601234.db2.gz KPPZFMREUHHQTP-UHFFFAOYSA-N 0 0 316.401 1.913 20 10 DDCDRN C[C@@H](C(=O)NCc1cc(O)ccc1O)N(C)C(=O)OC(C)(C)C ZINC001303225902 852750042 /nfs/dbraw/zinc/75/00/42/852750042.db2.gz RMEWGESSGKNQPO-JTQLQIEISA-N 0 0 324.377 1.969 20 10 DDCDRN O=C(CNC(=O)c1cnc2cc[nH]c2c1)c1ccc(O)c(O)c1 ZINC001150907810 862526865 /nfs/dbraw/zinc/52/68/65/862526865.db2.gz IHPZCLKEGYVDSW-UHFFFAOYSA-N 0 0 311.297 1.587 20 10 DDCDRN CN1CCO[C@@]2(CCC[N@H+](Cc3ccc(C(=O)[O-])cc3O)C2)C1 ZINC001276009498 854148835 /nfs/dbraw/zinc/14/88/35/854148835.db2.gz WLEAOLRAJSQOTK-KRWDZBQOSA-N 0 0 320.389 1.387 20 10 DDCDRN O=C(Cc1ccc(O)c(O)c1)NCCNC(=O)c1cccs1 ZINC001151031598 862585739 /nfs/dbraw/zinc/58/57/39/862585739.db2.gz IZGCKYQZKAGWAI-UHFFFAOYSA-N 0 0 320.370 1.248 20 10 DDCDRN CC[C@@H](C)NC(=O)[C@H](C)NC(=O)NCc1c(O)cccc1F ZINC001121940059 858640471 /nfs/dbraw/zinc/64/04/71/858640471.db2.gz DDHPKCGAIXDSHV-ZJUUUORDSA-N 0 0 311.357 1.634 20 10 DDCDRN CNC(=O)N1CCN(Cc2ccc3c(c2)CCCN3C)CC1 ZINC001138359602 860074321 /nfs/dbraw/zinc/07/43/21/860074321.db2.gz VLGCCXMCWQBQON-UHFFFAOYSA-N 0 0 302.422 1.526 20 10 DDCDRN NC(=O)N=Nc1ccc(C(=O)N2CC[C@](O)(C3CC3)C2)cc1 ZINC001139209597 860318529 /nfs/dbraw/zinc/31/85/29/860318529.db2.gz ZNYSXFWYMIIERO-OAHLLOKOSA-N 0 0 302.334 1.836 20 10 DDCDRN CCS(=O)(=O)N1CCN(Cc2c(C)ccc(C)c2O)CC1 ZINC001140184533 860588717 /nfs/dbraw/zinc/58/87/17/860588717.db2.gz YJZJYJNUDOJKJD-UHFFFAOYSA-N 0 0 312.435 1.476 20 10 DDCDRN CCOC(=O)CN1CCN(Cc2c(O)cccc2Cl)CC1 ZINC001140337757 860621433 /nfs/dbraw/zinc/62/14/33/860621433.db2.gz CPSAIDBYCWHBPN-UHFFFAOYSA-N 0 0 312.797 1.726 20 10 DDCDRN O=C1[C@H]2C[N@H+](Cc3c([O-])cc(F)cc3F)C[C@H]2CN1CC1CC1 ZINC001140581609 860657357 /nfs/dbraw/zinc/65/73/57/860657357.db2.gz VGMHOSDXNBRYIK-AAEUAGOBSA-N 0 0 322.355 1.971 20 10 DDCDRN COc1ccnc(N2CCN(Cc3cc(O)ccc3O)CC2)n1 ZINC001141161789 860799304 /nfs/dbraw/zinc/79/93/04/860799304.db2.gz YHEHULDDMBHZKV-UHFFFAOYSA-N 0 0 316.361 1.219 20 10 DDCDRN Nc1ccc(N(Cc2ccccc2)C(=O)Cn2cnnn2)cc1 ZINC001142139071 861036730 /nfs/dbraw/zinc/03/67/30/861036730.db2.gz HVEOKXFHAHORQL-UHFFFAOYSA-N 0 0 308.345 1.489 20 10 DDCDRN COc1ccc(N2CCN(C(=O)[C@@]3(F)CCOC3)CC2)cc1 ZINC001326066830 861075226 /nfs/dbraw/zinc/07/52/26/861075226.db2.gz RUBFVXZGLAVCGV-MRXNPFEDSA-N 0 0 308.353 1.472 20 10 DDCDRN CN(C)c1cc(F)c(CNCC2(S(C)(=O)=O)CC2)cc1F ZINC001328769044 863210615 /nfs/dbraw/zinc/21/06/15/863210615.db2.gz AAQSWVYTGYRZLV-UHFFFAOYSA-N 0 0 318.389 1.698 20 10 DDCDRN CN1CCO[C@@H](C(=O)NCc2c(O)ccc3ccccc32)C1=O ZINC001157042149 863535256 /nfs/dbraw/zinc/53/52/56/863535256.db2.gz ZRJHUJRODIAOSB-HNNXBMFYSA-N 0 0 314.341 1.019 20 10 DDCDRN O=C(NCCc1cccs1)C(=O)N1Cc2cccc(O)c2C1 ZINC001329887513 863921312 /nfs/dbraw/zinc/92/13/12/863921312.db2.gz ZJZWLMKEGOGKIN-UHFFFAOYSA-N 0 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COCCn1cc(NC(=O)NCCc2ccc(O)c(O)c2)cn1 ZINC000265188870 522102610 /nfs/dbraw/zinc/10/26/10/522102610.db2.gz UEJHZTCEAOAWDI-UHFFFAOYSA-N 0 0 320.349 1.305 20 10 DDCDRN COCC(C)(C)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000122277527 522798967 /nfs/dbraw/zinc/79/89/67/522798967.db2.gz UDOIMLNWJYOUBS-UHFFFAOYSA-N 0 0 306.406 1.812 20 10 DDCDRN CN1CCCc2cc(CNC(=O)NCCCOCCO)ccc21 ZINC000181536176 523861457 /nfs/dbraw/zinc/86/14/57/523861457.db2.gz YKUHXOGUGVASRE-UHFFFAOYSA-N 0 0 321.421 1.267 20 10 DDCDRN CN1CC[C@@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)C1=O ZINC000127374268 523965357 /nfs/dbraw/zinc/96/53/57/523965357.db2.gz ZEQDDPKWVWHAFI-OAHLLOKOSA-N 0 0 314.389 1.093 20 10 DDCDRN COc1ccc(N(C)Cc2cn(C)c(=O)n(C)c2=O)cc1Cl ZINC000180770413 524355719 /nfs/dbraw/zinc/35/57/19/524355719.db2.gz UTQGWGGTULRYHL-UHFFFAOYSA-N 0 0 323.780 1.382 20 10 DDCDRN C[C@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)Cn1ccnc1 ZINC000181111431 524367057 /nfs/dbraw/zinc/36/70/57/524367057.db2.gz OHDLSUVAEITVAI-OGOUPESXSA-N 0 0 301.346 1.760 20 10 DDCDRN C[C@@H](CCO)CNC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000268887606 524502335 /nfs/dbraw/zinc/50/23/35/524502335.db2.gz RZQGIQYTLJWTSL-SZTZYQKNSA-N 0 0 318.417 1.671 20 10 DDCDRN C[C@H](CO)N(C)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000131144834 524536802 /nfs/dbraw/zinc/53/68/02/524536802.db2.gz QJNJMMAZYUODDV-CYBMUJFWSA-N 0 0 307.394 1.045 20 10 DDCDRN C[C@@H](CO)[C@@H](C)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000265952679 524811070 /nfs/dbraw/zinc/81/10/70/524811070.db2.gz NZBCOJYWGDBZIF-UONOGXRCSA-N 0 0 303.406 1.879 20 10 DDCDRN COc1cccc(CNC(=O)N[C@@H]2CCC[C@H]2CCO)c1O ZINC000188457887 525988660 /nfs/dbraw/zinc/98/86/60/525988660.db2.gz BPIOCVCCBQFFGU-WCQYABFASA-N 0 0 308.378 1.751 20 10 DDCDRN Cc1ccc(C(=O)N(CCO)Cc2cccnc2)c(O)c1O ZINC000182845131 526075133 /nfs/dbraw/zinc/07/51/33/526075133.db2.gz FAQYNPPJDAJLGB-UHFFFAOYSA-N 0 0 302.330 1.436 20 10 DDCDRN Cn1cnnc1SCC(=O)NCc1ccc2c(c1)CCN2C ZINC000364413914 527529045 /nfs/dbraw/zinc/52/90/45/527529045.db2.gz FDBQNVLCZAZOHW-UHFFFAOYSA-N 0 0 317.418 1.216 20 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696900828 /nfs/dbraw/zinc/90/08/28/696900828.db2.gz FXAFGVYFNQCVTG-OAHLLOKOSA-N 0 0 303.406 1.575 20 10 DDCDRN Cc1nc(C(=O)NCCCSc2nccs2)c(=O)[nH]c1C ZINC000155864161 696954757 /nfs/dbraw/zinc/95/47/57/696954757.db2.gz NSHUPSBUCYIHIQ-UHFFFAOYSA-N 0 0 324.431 1.755 20 10 DDCDRN CN(C)c1ccc(CN(C)C(=O)N[C@H]2CCCN(C)C2=O)cc1 ZINC000748663216 700130575 /nfs/dbraw/zinc/13/05/75/700130575.db2.gz HYUUBAWZICQUNK-HNNXBMFYSA-N 0 0 318.421 1.515 20 10 DDCDRN O=S(=O)(c1cccc2nonc21)N(CCO)c1ccccc1 ZINC000161656382 697324766 /nfs/dbraw/zinc/32/47/66/697324766.db2.gz XIKBXSJHFPHSEK-UHFFFAOYSA-N 0 0 319.342 1.410 20 10 DDCDRN CN(C)C(=O)CN(C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000162489429 697328587 /nfs/dbraw/zinc/32/85/87/697328587.db2.gz BTJBRNQVXAVHGL-UHFFFAOYSA-N 0 0 309.385 1.182 20 10 DDCDRN COc1cccc(CNC(=O)c2cc(N)nc(Cl)c2)c1O ZINC000171486992 697358372 /nfs/dbraw/zinc/35/83/72/697358372.db2.gz DQUOYVNHLGNLTL-UHFFFAOYSA-N 0 0 307.737 1.961 20 10 DDCDRN COC(=O)NCC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000173670393 697380621 /nfs/dbraw/zinc/38/06/21/697380621.db2.gz CUNIPWFWBRMRJG-UHFFFAOYSA-N 0 0 318.329 1.870 20 10 DDCDRN CN(C)c1ccc2c(c1)OCCN2CC(=O)N(C)CC1CC1 ZINC000175030243 697394052 /nfs/dbraw/zinc/39/40/52/697394052.db2.gz QFMVRWKYNGZZET-UHFFFAOYSA-N 0 0 303.406 1.820 20 10 DDCDRN Cc1csc(NC(=O)C(=O)N(C)Cc2ccccc2O)n1 ZINC000175900327 697399094 /nfs/dbraw/zinc/39/90/94/697399094.db2.gz YXSNICPNJOISJT-UHFFFAOYSA-N 0 0 305.359 1.754 20 10 DDCDRN COc1ccc(O)c(CN(CC(N)=O)Cc2ccccc2)c1 ZINC000180206491 697445639 /nfs/dbraw/zinc/44/56/39/697445639.db2.gz GAOXXUXHRWTZOC-UHFFFAOYSA-N 0 0 300.358 1.888 20 10 DDCDRN O=C(NCc1ccc(Cn2cncn2)cc1)c1cccc(O)c1O ZINC000192911996 697644373 /nfs/dbraw/zinc/64/43/73/697644373.db2.gz OSBKKNQATCIHGZ-UHFFFAOYSA-N 0 0 324.340 1.668 20 10 DDCDRN C[C@H](NC(=O)C1=NN(C)C(=O)CC1)c1ccc(N(C)C)cc1 ZINC000772997696 697702404 /nfs/dbraw/zinc/70/24/04/697702404.db2.gz VGNCDVZOCPACLY-NSHDSACASA-N 0 0 302.378 1.538 20 10 DDCDRN CC(=O)N1CSC[C@H]1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773027501 697704681 /nfs/dbraw/zinc/70/46/81/697704681.db2.gz WRJWOWAPSBECPB-ABAIWWIYSA-N 0 0 321.446 1.851 20 10 DDCDRN C[C@H](NS(=O)(=O)C[C@H]1CCCO1)c1ccc(N(C)C)cc1 ZINC000773082828 697711274 /nfs/dbraw/zinc/71/12/74/697711274.db2.gz BCECQLHCYOVNIQ-SWLSCSKDSA-N 0 0 312.435 1.912 20 10 DDCDRN COC[C@H](C)S(=O)(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773084328 697711496 /nfs/dbraw/zinc/71/14/96/697711496.db2.gz PAYLUOVPADYLOJ-NWDGAFQWSA-N 0 0 300.424 1.768 20 10 DDCDRN COc1ccc(O)c([C@@H](C)NC(=O)Cn2ccc(C)cc2=O)c1 ZINC000194891045 697725125 /nfs/dbraw/zinc/72/51/25/697725125.db2.gz OCJJMPNHJJQIDE-GFCCVEGCSA-N 0 0 316.357 1.748 20 10 DDCDRN CC[S@@](=O)CCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773299881 697740453 /nfs/dbraw/zinc/74/04/53/697740453.db2.gz WAYVZPYULXBZSJ-LAJNKCICSA-N 0 0 311.451 1.881 20 10 DDCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1(C(=O)NC2CC2)CC1 ZINC000773752320 697801254 /nfs/dbraw/zinc/80/12/54/697801254.db2.gz ZASMJLHNGYYQRG-JTQLQIEISA-N 0 0 318.373 1.204 20 10 DDCDRN Cc1conc1NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773847055 697813323 /nfs/dbraw/zinc/81/33/23/697813323.db2.gz MSQGIQQIINQSDL-NSHDSACASA-N 0 0 316.361 1.865 20 10 DDCDRN CCN(C)c1ccc(CN2CCC[C@@H](O)[C@H]2C(=O)OC)cc1 ZINC000773887207 697818810 /nfs/dbraw/zinc/81/88/10/697818810.db2.gz DNBSIEBSRBHYFD-CVEARBPZSA-N 0 0 306.406 1.641 20 10 DDCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H](O)CC(=O)OCC ZINC000774043724 697836578 /nfs/dbraw/zinc/83/65/78/697836578.db2.gz MWAVULOXGMCOBQ-AWEZNQCLSA-N 0 0 309.362 1.445 20 10 DDCDRN Cc1cscc1NC(=O)C(=O)NCCc1ccc(O)c(O)c1 ZINC000774357283 697872418 /nfs/dbraw/zinc/87/24/18/697872418.db2.gz QETIZUZCTSOCGT-UHFFFAOYSA-N 0 0 320.370 1.765 20 10 DDCDRN NS(=O)(=O)c1c(NCc2ccccc2O)cccc1[N+](=O)[O-] ZINC000774524077 697889220 /nfs/dbraw/zinc/88/92/20/697889220.db2.gz NDDWPHDQOQFGSF-UHFFFAOYSA-N 0 0 323.330 1.560 20 10 DDCDRN COc1c([O-])c(C[NH2+][C@@H]2CCN(CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000775011959 697954217 /nfs/dbraw/zinc/95/42/17/697954217.db2.gz 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HRMSMPPWJVOTBF-UHFFFAOYSA-N 0 0 322.342 1.579 20 10 DDCDRN CC(C)(C)OC(=O)[C@H]1CN(C(=O)c2cccc(O)c2O)CCO1 ZINC000790839570 699599927 /nfs/dbraw/zinc/59/99/27/699599927.db2.gz QSNMOGRKRYPKQG-GFCCVEGCSA-N 0 0 323.345 1.281 20 10 DDCDRN O=C(N[C@H](CO)c1c(F)cccc1F)c1cccc(O)c1O ZINC000790915518 699603161 /nfs/dbraw/zinc/60/31/61/699603161.db2.gz CIUQJVXTOLCGCK-LLVKDONJSA-N 0 0 309.268 1.839 20 10 DDCDRN C[C@H]1COCCN1CC[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790958895 699604867 /nfs/dbraw/zinc/60/48/67/699604867.db2.gz BXCUIHYGACKONM-JTQLQIEISA-N 0 0 302.777 1.995 20 10 DDCDRN O=C(CN1CCSC1=O)NCCCSc1nccs1 ZINC000733972731 699629577 /nfs/dbraw/zinc/62/95/77/699629577.db2.gz KMCLLPJSJAOTIC-UHFFFAOYSA-N 0 0 317.461 1.910 20 10 DDCDRN CNC(=O)C1(C(=O)NCCCSc2nccs2)CCC1 ZINC000733975028 699629878 /nfs/dbraw/zinc/62/98/78/699629878.db2.gz VMHWEBYDWXZPTG-UHFFFAOYSA-N 0 0 313.448 1.658 20 10 DDCDRN Cc1n[nH]cc1S(=O)(=O)NCc1ccc(N(C)C)cc1C ZINC000734499318 699653205 /nfs/dbraw/zinc/65/32/05/699653205.db2.gz 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/nfs/dbraw/zinc/71/25/95/699712595.db2.gz IMDDJWYXUQAIDH-UHFFFAOYSA-N 0 0 321.377 1.213 20 10 DDCDRN COc1ccc(CNC(=O)NCCC(=O)OC(C)C)c(O)c1 ZINC000792767572 699713414 /nfs/dbraw/zinc/71/34/14/699713414.db2.gz SYJLNCBQYWBZRO-UHFFFAOYSA-N 0 0 310.350 1.542 20 10 DDCDRN C[C@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)C(C)(C)O ZINC000738988934 699768488 /nfs/dbraw/zinc/76/84/88/699768488.db2.gz JLLTURBDSMGQOW-ZDUSSCGKSA-N 0 0 321.421 1.482 20 10 DDCDRN O=C(/C=C\c1ccc(O)c(O)c1)N[C@H](CO)Cc1ccncc1 ZINC000793943799 699788435 /nfs/dbraw/zinc/78/84/35/699788435.db2.gz ZSWFUADWPCVYMG-XBPVQUQDSA-N 0 0 314.341 1.226 20 10 DDCDRN CCOC(=O)c1nc(NC(=O)C=Cc2ccc(O)c(O)c2)c[nH]1 ZINC000793963873 699789498 /nfs/dbraw/zinc/78/94/98/699789498.db2.gz MUAWXDNFSHFCCW-GQCTYLIASA-N 0 0 317.301 1.650 20 10 DDCDRN COC[C@H](CCO)NC(=O)NCc1ccc(N(C)C)cc1C ZINC000740481073 699794124 /nfs/dbraw/zinc/79/41/24/699794124.db2.gz NSQJNOMOMYTFKX-AWEZNQCLSA-N 0 0 309.410 1.258 20 10 DDCDRN COc1ccc(CNC(=O)c2ccnc(N(C)C)c2)c(O)c1 ZINC000794376434 699805785 /nfs/dbraw/zinc/80/57/85/699805785.db2.gz GCCRYSQKQOXJSW-UHFFFAOYSA-N 0 0 301.346 1.792 20 10 DDCDRN COc1ccc(CNC(=O)[C@@H]2COc3ccccc3O2)c(O)c1 ZINC000794378566 699805903 /nfs/dbraw/zinc/80/59/03/699805903.db2.gz VDSYJFMAPZVHGS-INIZCTEOSA-N 0 0 315.325 1.857 20 10 DDCDRN COCc1cncc(C(=O)NCc2ccc(OC)cc2O)c1 ZINC000794382219 699806137 /nfs/dbraw/zinc/80/61/37/699806137.db2.gz ZOIHTXRRIMNEBK-UHFFFAOYSA-N 0 0 302.330 1.872 20 10 DDCDRN CCC(=O)N1CC[C@H](C(=O)NCc2ccc(OC)cc2O)C1 ZINC000794379568 699806335 /nfs/dbraw/zinc/80/63/35/699806335.db2.gz QIEFGWDCUAXSNR-LBPRGKRZSA-N 0 0 306.362 1.276 20 10 DDCDRN COC(=O)CNC(=O)CN(CCC(C)C)c1ccc(OC)cc1 ZINC000796501938 699936204 /nfs/dbraw/zinc/93/62/04/699936204.db2.gz AFUNZSQSZSYFFY-UHFFFAOYSA-N 0 0 322.405 1.837 20 10 DDCDRN CCOCCS(=O)(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000751319127 700280344 /nfs/dbraw/zinc/28/03/44/700280344.db2.gz TXMRQAZSECPAOM-JTQLQIEISA-N 0 0 303.380 1.418 20 10 DDCDRN CN1CCCc2cc(CNC(=O)CCN3CCOCC3)ccc21 ZINC000751385876 700284283 /nfs/dbraw/zinc/28/42/83/700284283.db2.gz AIFBDOBWABNUJA-UHFFFAOYSA-N 0 0 317.433 1.408 20 10 DDCDRN CC[C@@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(N)=O ZINC000751932309 700327545 /nfs/dbraw/zinc/32/75/45/700327545.db2.gz YTWUARRIYDVGLN-GFCCVEGCSA-N 0 0 319.386 1.737 20 10 DDCDRN C[C@H](NC(=O)N1CC(F)C1)c1ccc(N2CCOCC2)cc1 ZINC000753126627 700409653 /nfs/dbraw/zinc/40/96/53/700409653.db2.gz JCFBBDYKXDEEBQ-LBPRGKRZSA-N 0 0 307.369 1.948 20 10 DDCDRN COC[C@H](C)CC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000755224558 700556798 /nfs/dbraw/zinc/55/67/98/700556798.db2.gz DHKQJJFJFQWVCG-CQSZACIVSA-N 0 0 306.406 1.812 20 10 DDCDRN C[C@H]([NH2+]C1CCC(C(N)=O)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756705819 700637118 /nfs/dbraw/zinc/63/71/18/700637118.db2.gz VNKLVHGYKWXCBQ-WHXUTIOJSA-N 0 0 307.350 1.995 20 10 DDCDRN COc1coc(COC(=O)/C=C\c2ccc(O)c(O)c2)cc1=O ZINC000759587658 700761058 /nfs/dbraw/zinc/76/10/58/700761058.db2.gz BZPARDZBXLRSKJ-HYXAFXHYSA-N 0 0 318.281 1.816 20 10 DDCDRN CC(C)(C)N1C[C@@H](C(=O)NCCc2ccc(O)c(O)c2)CC1=O ZINC000762275220 700887756 /nfs/dbraw/zinc/88/77/56/700887756.db2.gz OJWDQIXQWJTKBM-LBPRGKRZSA-N 0 0 320.389 1.404 20 10 DDCDRN NC(=O)c1ccc(NC(=S)NCc2ccc(F)cn2)cc1 ZINC000763166288 700927648 /nfs/dbraw/zinc/92/76/48/700927648.db2.gz KPZHLNUAWHDHFH-UHFFFAOYSA-N 0 0 304.350 1.806 20 10 DDCDRN COCC[C@@H](C)S(=O)(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000766504207 701054194 /nfs/dbraw/zinc/05/41/94/701054194.db2.gz YCHHTKQRGHHQND-GHMZBOCLSA-N 0 0 317.407 1.806 20 10 DDCDRN C[C@H]1COCC[C@H]1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000767688399 701129042 /nfs/dbraw/zinc/12/90/42/701129042.db2.gz XDJIFTDTRZCMAU-WMLDXEAASA-N 0 0 318.417 1.812 20 10 DDCDRN O=C(NCCc1ccc(O)c(O)c1)c1cccc2c1OCCO2 ZINC000768899742 701215137 /nfs/dbraw/zinc/21/51/37/701215137.db2.gz OPCKHHBGLWOETL-UHFFFAOYSA-N 0 0 315.325 1.842 20 10 DDCDRN CCOC(=O)[C@@H]1CN(Cc2ccc(OCC)cc2O)CCO1 ZINC000769466486 701245909 /nfs/dbraw/zinc/24/59/09/701245909.db2.gz KCYPICDHAXACTO-HNNXBMFYSA-N 0 0 309.362 1.555 20 10 DDCDRN O=C(NCc1ccc(N2CCOCC2)cc1)c1csc(=O)[nH]1 ZINC000769691679 701252679 /nfs/dbraw/zinc/25/26/79/701252679.db2.gz WQTGGTNEBRDGMM-UHFFFAOYSA-N 0 0 319.386 1.615 20 10 DDCDRN CNC(=O)c1cncc(/C=C\C(=O)N2CCc3ncccc32)c1 ZINC000770232240 701272331 /nfs/dbraw/zinc/27/23/31/701272331.db2.gz NLBMODKVKMDVHE-PLNGDYQASA-N 0 0 308.341 1.439 20 10 DDCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CCO[C@H](c2ncon2)C1 ZINC000771471562 701320897 /nfs/dbraw/zinc/32/08/97/701320897.db2.gz CTVXCJMNHJCIMH-LSYFEZSPSA-N 0 0 317.301 1.094 20 10 DDCDRN Cn1ncc(CNC(=O)NCc2ccc(N3CC=CC3)cc2)n1 ZINC000805144875 701369268 /nfs/dbraw/zinc/36/92/68/701369268.db2.gz JQMSYSUZMFMTDU-UHFFFAOYSA-N 0 0 312.377 1.191 20 10 DDCDRN C[C@H](OCC(=O)NCc1ccc(N(C)C)cc1)c1nccn1C ZINC000805156504 701369422 /nfs/dbraw/zinc/36/94/22/701369422.db2.gz YACBYMSQSBXYDB-ZDUSSCGKSA-N 0 0 316.405 1.880 20 10 DDCDRN COc1ccc(O)c(CNC(=O)NC[C@H]2CCOC[C@@H]2C)c1 ZINC000806810387 701449203 /nfs/dbraw/zinc/44/92/03/701449203.db2.gz LXJAQZLXQSZAKN-NWDGAFQWSA-N 0 0 308.378 1.873 20 10 DDCDRN CC(=O)C(=O)COC(=O)c1cnn2c1nccc2-c1ccccc1 ZINC000808503533 701520465 /nfs/dbraw/zinc/52/04/65/701520465.db2.gz PZYGEINARGMTNO-UHFFFAOYSA-N 0 0 323.308 1.711 20 10 DDCDRN CC(=O)C(=O)COC(=O)c1cccc(Cn2nc(C)cc2C)c1 ZINC000808510813 701521199 /nfs/dbraw/zinc/52/11/99/701521199.db2.gz JTXPZMLQYSGQMP-UHFFFAOYSA-N 0 0 314.341 1.863 20 10 DDCDRN CCCN1C[C@H](C(=O)NCc2cc(OC)ccc2O)CC1=O ZINC000839683254 701782272 /nfs/dbraw/zinc/78/22/72/701782272.db2.gz FEMWNLCVKVLKLE-GFCCVEGCSA-N 0 0 306.362 1.276 20 10 DDCDRN Cc1cc(NC(=O)C(=O)NCc2ccccc2O)cn2ccnc12 ZINC000815451047 701876974 /nfs/dbraw/zinc/87/69/74/701876974.db2.gz YFOFWLDLPHXEPG-UHFFFAOYSA-N 0 0 324.340 1.603 20 10 DDCDRN COC(=O)[C@@]1(C)CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000840553878 702150959 /nfs/dbraw/zinc/15/09/59/702150959.db2.gz VRCSXUGAKGROSA-UABRLCRWSA-N 0 0 319.357 1.913 20 10 DDCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Cn1cncn1 ZINC000840557492 702152017 /nfs/dbraw/zinc/15/20/17/702152017.db2.gz QVVNDSNHBGZHPJ-CYBMUJFWSA-N 0 0 301.394 1.400 20 10 DDCDRN C[C@H](NC(=O)NCC1(N2CCOCC2)CC1)c1ccccc1O ZINC000868544661 702189983 /nfs/dbraw/zinc/18/99/83/702189983.db2.gz GFSFUEHBFHKIQM-ZDUSSCGKSA-N 0 0 319.405 1.617 20 10 DDCDRN Cc1cc(CC(=O)NCc2ccc(N3CCOCC3)cc2)on1 ZINC000816897570 702212385 /nfs/dbraw/zinc/21/23/85/702212385.db2.gz HVLQLYXTOAAECS-UHFFFAOYSA-N 0 0 315.373 1.679 20 10 DDCDRN COc1cc([N+](=O)[O-])c(N2CC[C@H](NC(C)=O)C2)cc1OC ZINC000817124450 702278044 /nfs/dbraw/zinc/27/80/44/702278044.db2.gz GPARRXQRYGOVLV-JTQLQIEISA-N 0 0 309.322 1.327 20 10 DDCDRN CCS(=O)(=O)CCCNC(=O)N[C@H](C)c1ccccc1O ZINC000868713068 702281113 /nfs/dbraw/zinc/28/11/13/702281113.db2.gz XMQOHEJYVRNIPT-LLVKDONJSA-N 0 0 314.407 1.577 20 10 DDCDRN CCN(C)c1ccc(CN2CCOC[C@H]2CNC(=O)NC)cc1 ZINC000879423484 706676127 /nfs/dbraw/zinc/67/61/27/706676127.db2.gz GEWCSZOAMBPFIQ-MRXNPFEDSA-N 0 0 320.437 1.273 20 10 DDCDRN CN(C)c1ccc(CNC(=O)NCCc2ccc(N)cc2)cn1 ZINC000841692017 702540825 /nfs/dbraw/zinc/54/08/25/702540825.db2.gz DTRRFUNLTHVDSS-UHFFFAOYSA-N 0 0 313.405 1.772 20 10 DDCDRN Cn1ncc2c1CCC[C@@H]2NC(=O)NCCc1ccc(N)cc1 ZINC000841710596 702546856 /nfs/dbraw/zinc/54/68/56/702546856.db2.gz ZQOHDJKACBIVDZ-HNNXBMFYSA-N 0 0 313.405 1.922 20 10 DDCDRN C[C@@H]1OCC[C@@]12CN(C(=O)NCCc1ccc(N)cc1)CCO2 ZINC000841959382 702636097 /nfs/dbraw/zinc/63/60/97/702636097.db2.gz NHGMVYAYBBUJON-SUMWQHHRSA-N 0 0 319.405 1.401 20 10 DDCDRN CC(C)CN1CCN(C(=O)NCCc2ccc(N)cc2)CC1=O ZINC000841960157 702636140 /nfs/dbraw/zinc/63/61/40/702636140.db2.gz WLAUXIDZJKGSLL-UHFFFAOYSA-N 0 0 318.421 1.321 20 10 DDCDRN CCCN1CCCN(C(=O)NCCc2ccc(N)cc2)CC1=O ZINC000841959928 702636172 /nfs/dbraw/zinc/63/61/72/702636172.db2.gz SEULBPBVIAQJFI-UHFFFAOYSA-N 0 0 318.421 1.465 20 10 DDCDRN COCCN(C(=O)NCCc1ccc(N)cc1)[C@H]1CCOC1 ZINC000841959053 702636259 /nfs/dbraw/zinc/63/62/59/702636259.db2.gz KANCIFLAGHSNCO-HNNXBMFYSA-N 0 0 307.394 1.258 20 10 DDCDRN Nc1ccc(CCNC(=O)N[C@H]2CCCC3(C2)OCCO3)cc1 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ZINC001193209999 746015253 /nfs/dbraw/zinc/01/52/53/746015253.db2.gz SIANWILFPWCFSU-UHFFFAOYSA-N 0 0 311.681 1.399 20 10 DDCDRN COc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2O)cn1 ZINC001195740425 746696904 /nfs/dbraw/zinc/69/69/04/746696904.db2.gz AHPAMFHWGXJFMX-SNVBAGLBSA-N 0 0 308.359 1.835 20 10 DDCDRN Oc1ccc(CN2CC[C@@](O)(C(F)(F)F)[C@@H](F)C2)cc1O ZINC001203874521 747131622 /nfs/dbraw/zinc/13/16/22/747131622.db2.gz ABVHQHOXOZELPU-RYUDHWBXSA-N 0 0 309.259 1.935 20 10 DDCDRN Cc1cc(C)c(CNC(=O)c2cnc3ccccn3c2=O)c(O)c1 ZINC001198547651 747534970 /nfs/dbraw/zinc/53/49/70/747534970.db2.gz IRHVVKAMOXWHKM-UHFFFAOYSA-N 0 0 323.352 1.947 20 10 DDCDRN O=C(NCc1ccccc1O)c1cncn1C1CCOCC1 ZINC001199078209 747695166 /nfs/dbraw/zinc/69/51/66/747695166.db2.gz JWPIQRAUDARLJS-UHFFFAOYSA-N 0 0 301.346 1.870 20 10 DDCDRN Cc1cc(N2CC=C(CCNC(=O)[C@@H]3CCCO3)CC2)ncn1 ZINC001089799603 747876799 /nfs/dbraw/zinc/87/67/99/747876799.db2.gz KRRXVSCEKXNYBW-HNNXBMFYSA-N 0 0 316.405 1.607 20 10 DDCDRN CCOCC(=O)NCCC1=CCN(c2ccnc(C)n2)CC1 ZINC001089800616 747877780 /nfs/dbraw/zinc/87/77/80/747877780.db2.gz PUWVHMCILJXRRG-UHFFFAOYSA-N 0 0 304.394 1.464 20 10 DDCDRN C[C@@H]1C[C@H]1C(=O)NCCC1=CCN(c2cc(F)ncn2)CC1 ZINC001089802686 747881246 /nfs/dbraw/zinc/88/12/46/747881246.db2.gz TZBFYYRTOWZYQI-DGCLKSJQSA-N 0 0 304.369 1.915 20 10 DDCDRN O=C(NCCC1=CCN(c2nccnc2F)CC1)[C@H]1CCOC1 ZINC001089812213 747919962 /nfs/dbraw/zinc/91/99/62/747919962.db2.gz BYUIAYYWLKDDFK-ZDUSSCGKSA-N 0 0 320.368 1.295 20 10 DDCDRN O=C(NC[C@@H](O)c1ccc(O)c(O)c1)NC(=O)c1ccccc1 ZINC001202441043 748781891 /nfs/dbraw/zinc/78/18/91/748781891.db2.gz KFVIWXLNMJDPKV-CQSZACIVSA-N 0 0 316.313 1.271 20 10 DDCDRN CC(=O)C(=O)COC(=O)c1c(C(F)(F)F)nc2n1CCCC2 ZINC001118412715 755617929 /nfs/dbraw/zinc/61/79/29/755617929.db2.gz NCDFRUWAESAQHU-UHFFFAOYSA-N 0 0 318.251 1.553 20 10 DDCDRN COc1ccc(CN2CC[S@@](=O)C[C@H](C)C2)c(O)c1OC ZINC001120040162 758202230 /nfs/dbraw/zinc/20/22/30/758202230.db2.gz AACQXVIEYDOFFJ-WSVYEEACSA-N 0 0 313.419 1.610 20 10 DDCDRN Cc1cnc(S(C)(=O)=O)nc1NCc1ccc(O)c(O)c1 ZINC001169990689 763524101 /nfs/dbraw/zinc/52/41/01/763524101.db2.gz LUIUXOSBJDGDEK-UHFFFAOYSA-N 0 0 309.347 1.212 20 10 DDCDRN COC(=O)Cc1ccc(NCC(=O)c2ccc(O)c(O)c2)nc1 ZINC001170316507 766246217 /nfs/dbraw/zinc/24/62/17/766246217.db2.gz GNSQLXUTFURVEH-UHFFFAOYSA-N 0 0 316.313 1.503 20 10 DDCDRN C[C@@H](Oc1ccccc1)C(=O)NCCc1cc(O)c(O)cc1O ZINC001144502044 772552439 /nfs/dbraw/zinc/55/24/39/772552439.db2.gz HCVDQCJXAHNJDO-LLVKDONJSA-N 0 0 317.341 1.930 20 10 DDCDRN Cc1ccccc1[C@@H](O)C(=O)NCC(=O)c1ccc(O)c(O)c1 ZINC001144543249 772561939 /nfs/dbraw/zinc/56/19/39/772561939.db2.gz QAAZDNMZEHJFSF-MRXNPFEDSA-N 0 0 315.325 1.439 20 10 DDCDRN O=C(CN1C(=O)CSC1=S)Nc1cc2ccccn2n1 ZINC001144841889 772641018 /nfs/dbraw/zinc/64/10/18/772641018.db2.gz ZDOZSGHCTRUGLU-UHFFFAOYSA-N 0 0 306.372 1.133 20 10 DDCDRN CCc1nccc(C)c1NC(=O)CN1C(=O)CSC1=S ZINC001144841649 772641232 /nfs/dbraw/zinc/64/12/32/772641232.db2.gz OVTFBSBCPVCXMM-UHFFFAOYSA-N 0 0 309.416 1.751 20 10 DDCDRN C[C@H]1CN(C2CN(C(=O)c3cccc(O)c3O)C2)C[C@H](C)O1 ZINC001148218417 773399948 /nfs/dbraw/zinc/39/99/48/773399948.db2.gz BVXFSZFORSUTOC-QWRGUYRKSA-N 0 0 306.362 1.031 20 10 DDCDRN Nc1ccc2c(c1)CCCN2C(=O)c1cc(O)c(O)c(O)c1 ZINC001148586695 773540184 /nfs/dbraw/zinc/54/01/84/773540184.db2.gz ULNNNCJXNHGMIF-UHFFFAOYSA-N 0 0 300.314 1.979 20 10 DDCDRN COC(=O)[C@@H]1CCCN(C(=O)c2cc(O)c(O)c(O)c2)[C@@H]1C ZINC001148587643 773540431 /nfs/dbraw/zinc/54/04/31/773540431.db2.gz KCUKXRSETPOMAN-PSASIEDQSA-N 0 0 309.318 1.217 20 10 DDCDRN COC(=O)c1ccc(CNC(=O)Cc2ccc(O)c(O)c2)cn1 ZINC001148766871 773596143 /nfs/dbraw/zinc/59/61/43/773596143.db2.gz PFQPTPFUZRFSSF-UHFFFAOYSA-N 0 0 316.313 1.138 20 10 DDCDRN Nc1ccc(N(CCO)c2ccc(CN3CC(O)C3)cc2)cc1 ZINC001212668271 776814876 /nfs/dbraw/zinc/81/48/76/776814876.db2.gz QYNCHENTSHWEEX-UHFFFAOYSA-N 0 0 313.401 1.576 20 10 DDCDRN COC(=O)N1CCC([NH2+]CC(=O)c2ccc(O)c(O)c2)CC1 ZINC001172733465 776867756 /nfs/dbraw/zinc/86/77/56/776867756.db2.gz QVEVRNOYLRBQOF-UHFFFAOYSA-N 0 0 308.334 1.101 20 10 DDCDRN CSc1ncc(N(c2ccc(N)cc2)S(C)(=O)=O)cn1 ZINC001175649872 777856081 /nfs/dbraw/zinc/85/60/81/777856081.db2.gz ASXHTKHNXCOGND-UHFFFAOYSA-N 0 0 310.404 1.878 20 10 DDCDRN Cc1nc(CC(=O)NCCc2cc(O)c(O)cc2O)c(C)s1 ZINC001177275125 778528760 /nfs/dbraw/zinc/52/87/60/778528760.db2.gz MRUZPHATEGEZIF-UHFFFAOYSA-N 0 0 322.386 1.778 20 10 DDCDRN Cc1cc(C)c(CNC(=O)C2CN(c3cnccn3)C2)c(O)c1 ZINC001178100148 778868073 /nfs/dbraw/zinc/86/80/73/778868073.db2.gz GEFWHBXXOBKZHJ-UHFFFAOYSA-N 0 0 312.373 1.552 20 10 DDCDRN COc1ccccc1[C@@H](O)C(=O)NCc1c(O)cccc1F ZINC001178412593 779041600 /nfs/dbraw/zinc/04/16/00/779041600.db2.gz AWACBELAKHWOAK-OAHLLOKOSA-N 0 0 305.305 1.890 20 10 DDCDRN Cc1[nH][nH]c(=O)c1CCNC(=O)C=Cc1ccc(N(C)C)cc1 ZINC001180129855 779616302 /nfs/dbraw/zinc/61/63/02/779616302.db2.gz KEATYQPCQZDTHT-RMKNXTFCSA-N 0 0 314.389 1.862 20 10 DDCDRN CN(C)c1ccc(/C=C/C(=O)N2CC[C@H](O)[C@@](C)(CO)C2)cc1 ZINC001180123361 779631152 /nfs/dbraw/zinc/63/11/52/779631152.db2.gz REDNAUFUKIIBIR-SEHGVRFQSA-N 0 0 318.417 1.358 20 10 DDCDRN CN(Cc1ccccc1O)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001116345044 780499011 /nfs/dbraw/zinc/49/90/11/780499011.db2.gz BBSBZBNKNMIZHH-UHFFFAOYSA-N 0 0 317.301 1.121 20 10 DDCDRN COCC1(CNC(=O)C(=O)N(C)Cc2ccccc2O)CCC1 ZINC001117566844 780840104 /nfs/dbraw/zinc/84/01/04/780840104.db2.gz AEQNUIBRLRZAGY-UHFFFAOYSA-N 0 0 320.389 1.284 20 10 DDCDRN CN(Cc1ccccc1O)C(=O)C(=O)NCC1(C2CC2)CC1 ZINC001117569985 780842421 /nfs/dbraw/zinc/84/24/21/780842421.db2.gz WRTWAFKHTOXNTE-UHFFFAOYSA-N 0 0 302.374 1.657 20 10 DDCDRN CCOc1ccc(N2CCN(C[C@@H]3CN(C)C(=O)O3)CC2)cc1 ZINC001117746400 780894072 /nfs/dbraw/zinc/89/40/72/780894072.db2.gz VTEUHSSRKOHGGT-INIZCTEOSA-N 0 0 319.405 1.658 20 10 DDCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H]2C=CCC2)cc1 ZINC001118660993 781198228 /nfs/dbraw/zinc/19/82/28/781198228.db2.gz WFHBFLBWUNHGRO-OAHLLOKOSA-N 0 0 315.417 1.984 20 10 DDCDRN CCC[C@@H](CNC(=O)C(=O)N(C)Cc1ccccc1O)OCC ZINC001118879268 781262560 /nfs/dbraw/zinc/26/25/60/781262560.db2.gz JKMDILRDEBFEQI-AWEZNQCLSA-N 0 0 322.405 1.672 20 10 DDCDRN COC(=O)[C@H](CC1CCOCC1)NC(=O)Cc1ccc(N)cc1 ZINC001119309453 781400283 /nfs/dbraw/zinc/40/02/83/781400283.db2.gz ZLSQIPCMDFKJBY-HNNXBMFYSA-N 0 0 320.389 1.286 20 10 DDCDRN O=C(NC12CC(C(=O)N3CC=CC3)(C1)C2)c1cccc(O)c1O ZINC001269561004 841768055 /nfs/dbraw/zinc/76/80/55/841768055.db2.gz DXTDHBVBSCNEOB-UHFFFAOYSA-N 0 0 314.341 1.149 20 10 DDCDRN CN1CC[C@]2(CCCN(C(=O)c3cccc(O)c3O)CC2)C1=O ZINC001269685707 841933406 /nfs/dbraw/zinc/93/34/06/841933406.db2.gz GFRRZWYAOXHOHJ-KRWDZBQOSA-N 0 0 318.373 1.572 20 10 DDCDRN O=C(c1cc([O-])[nH]c(=O)c1)N1CC[C@H]2[C@@H]1CC[N@@H+]2C1CCCC1 ZINC001269916907 842150677 /nfs/dbraw/zinc/15/06/77/842150677.db2.gz ALLZHZYZZXCEIO-KBPBESRZSA-N 0 0 317.389 1.724 20 10 DDCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)[C@@H]1CNC(=O)C1 ZINC001143305271 861455576 /nfs/dbraw/zinc/45/55/76/861455576.db2.gz SBEYKBIZISCBDM-ZBEGNZNMSA-N 0 0 316.401 1.885 20 10 DDCDRN CN1CCCc2cc(CNC(=O)C(=O)NC3CC=CC3)ccc21 ZINC001326593638 861465781 /nfs/dbraw/zinc/46/57/81/861465781.db2.gz YIZCPQQTOYNBNI-UHFFFAOYSA-N 0 0 313.401 1.520 20 10 DDCDRN CCN(CC(C)(C)O)C(=O)c1cc2cc(O)c(O)cc2oc1=O ZINC001155225688 861862212 /nfs/dbraw/zinc/86/22/12/861862212.db2.gz NABPZYUHTQFUSW-UHFFFAOYSA-N 0 0 321.329 1.437 20 10 DDCDRN Cc1nocc1CNC(=O)c1cc2cc(O)c(O)cc2oc1=O ZINC001155232731 861880006 /nfs/dbraw/zinc/88/00/06/861880006.db2.gz WPZNSWRVVSEONI-UHFFFAOYSA-N 0 0 316.269 1.431 20 10 DDCDRN Cc1noc(-c2ccc(NC(=O)C3=S=c4cc[nH]c4=C3)cc2)n1 ZINC001149861267 861952424 /nfs/dbraw/zinc/95/24/24/861952424.db2.gz KQQGKOONFZVLCH-UHFFFAOYSA-N 0 0 324.365 1.962 20 10 DDCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CO[C@@H]1CCOC1 ZINC001327342426 862077744 /nfs/dbraw/zinc/07/77/44/862077744.db2.gz VRAUYDZYBKXBEE-WMLDXEAASA-N 0 0 320.433 1.914 20 10 DDCDRN O=C(Cc1ccc(O)c(O)c1)N1CCO[C@@]2(CCSC2)C1 ZINC001299793921 852886013 /nfs/dbraw/zinc/88/60/13/852886013.db2.gz CSXJPCRJDDJZMG-HNNXBMFYSA-N 0 0 309.387 1.375 20 10 DDCDRN CCCNC(=O)[C@@H](C)NC(=O)NCc1ccc(OC)cc1O ZINC001122013750 858661695 /nfs/dbraw/zinc/66/16/95/858661695.db2.gz UACUJYJWTMZESQ-SNVBAGLBSA-N 0 0 309.366 1.115 20 10 DDCDRN CC(C)[C@H](CO)NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC001123470429 859249617 /nfs/dbraw/zinc/24/96/17/859249617.db2.gz BNHRXIXCONVDFK-INIZCTEOSA-N 0 0 321.421 1.339 20 10 DDCDRN COCCN1C[C@@H]2C[N@H+](Cc3c([O-])cccc3F)C[C@@H]2C1=O ZINC001137835759 859984095 /nfs/dbraw/zinc/98/40/95/859984095.db2.gz MXTXDLLZJRUFAH-RYUDHWBXSA-N 0 0 308.353 1.068 20 10 DDCDRN C[C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)CC[S@](=O)C1 ZINC001138238820 860044036 /nfs/dbraw/zinc/04/40/36/860044036.db2.gz IOGMTRHHWXAGCR-MGUXCZDKSA-N 0 0 322.390 1.690 20 10 DDCDRN CCN(CC)c1ccc(CN2CC(=O)NC[C@H]2C)c(OC)c1 ZINC001138390445 860085559 /nfs/dbraw/zinc/08/55/59/860085559.db2.gz XFSIYCUXNVTSHA-CYBMUJFWSA-N 0 0 305.422 1.862 20 10 DDCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[NH+]1CCN(CCF)CC1 ZINC001139128917 860297788 /nfs/dbraw/zinc/29/77/88/860297788.db2.gz JBQFKQVFOCMRPT-UHFFFAOYSA-N 0 0 320.364 1.894 20 10 DDCDRN CCOC(=O)c1ncn2c1CN(Cc1cc(F)ccc1O)CC2 ZINC001140062710 860568267 /nfs/dbraw/zinc/56/82/67/860568267.db2.gz DVMFRTQKRWNDJZ-UHFFFAOYSA-N 0 0 319.336 1.920 20 10 DDCDRN CS(=O)(=O)c1ccccc1CNC(=O)c1cccc(O)c1O ZINC001142292960 861109932 /nfs/dbraw/zinc/10/99/32/861109932.db2.gz WYFNGQQZYOCNEC-UHFFFAOYSA-N 0 0 321.354 1.431 20 10 DDCDRN C[C@@H](CNC(=O)C(=O)N(C)Cc1ccccc1O)CC(F)F ZINC001326138062 861128950 /nfs/dbraw/zinc/12/89/50/861128950.db2.gz GZBCBTAXKJUVAY-SNVBAGLBSA-N 0 0 314.332 1.758 20 10 DDCDRN COC(=O)C[C@@H]1CN(Cc2cc(F)c(F)cc2O)CCO1 ZINC001142524604 861171156 /nfs/dbraw/zinc/17/11/56/861171156.db2.gz COSCESVWYISMTO-SNVBAGLBSA-N 0 0 301.289 1.434 20 10 DDCDRN Cc1ccc(O)c(CN2CCN(C(=O)N3CCOCC3)CC2)c1 ZINC000123988348 861186186 /nfs/dbraw/zinc/18/61/86/861186186.db2.gz BIJSUAVOXJQZQJ-UHFFFAOYSA-N 0 0 319.405 1.270 20 10 DDCDRN C[C@@H](NC(=O)c1ccoc1)C(=O)NCc1c(O)cccc1O ZINC001156880816 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1.134 20 10 DDCDRN COC[C@H]1Cn2ccnc2CN(Cc2cc(O)ccc2O)C1 ZINC001141157217 860797464 /nfs/dbraw/zinc/79/74/64/860797464.db2.gz DKIBNKBOBLQNDL-GFCCVEGCSA-N 0 0 303.362 1.573 20 10 DDCDRN CN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CCC[C@H](F)C1 ZINC001326168769 861157786 /nfs/dbraw/zinc/15/77/86/861157786.db2.gz MLFUUGIQTYCTOW-STQMWFEESA-N 0 0 308.353 1.748 20 10 DDCDRN O=C(NCCc1cc(O)c(O)cc1O)c1cnc2sccn12 ZINC001152227522 863228113 /nfs/dbraw/zinc/22/81/13/863228113.db2.gz QBJDZMBWXOUKLZ-UHFFFAOYSA-N 0 0 319.342 1.485 20 10 DDCDRN O=C(NCc1c(O)cccc1O)c1ccnc(-n2cncn2)c1 ZINC001156881260 863412500 /nfs/dbraw/zinc/41/25/00/863412500.db2.gz WCIRCIQTGWWBBW-UHFFFAOYSA-N 0 0 311.301 1.004 20 10 DDCDRN C[C@H]1C[C@H](NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)CO1 ZINC001329398332 863643535 /nfs/dbraw/zinc/64/35/35/863643535.db2.gz LEFHADUVMSNAQT-JSGCOSHPSA-N 0 0 319.405 1.005 20 10 DDCDRN CCOC(=O)c1c[nH]nc1CNC(=O)Cc1ccc(N)cc1 ZINC001157448611 863827259 /nfs/dbraw/zinc/82/72/59/863827259.db2.gz BVNZJRUFUOFTFV-UHFFFAOYSA-N 0 0 302.334 1.028 20 10 DDCDRN Cc1ccc(C(=O)N[C@@H]2Cc3cnccc3NC2=O)c(O)c1O ZINC001153842531 864149394 /nfs/dbraw/zinc/14/93/94/864149394.db2.gz DCMAYGZBVHKUFN-GFCCVEGCSA-N 0 0 313.313 1.094 20 10 DDCDRN Cn1nc(-c2ccncc2)cc1C(=O)NCc1cc(O)ccc1O ZINC001153885457 864194104 /nfs/dbraw/zinc/19/41/04/864194104.db2.gz OUDXDMVOOBPMBK-UHFFFAOYSA-N 0 0 324.340 1.823 20 10 DDCDRN O=c1ccccn1-c1nccc(NCc2ccc(O)c(O)c2)n1 ZINC001158997888 865027379 /nfs/dbraw/zinc/02/73/79/865027379.db2.gz SOSYQFSVGMNJLZ-UHFFFAOYSA-N 0 0 310.313 1.651 20 10 DDCDRN O=C(CNc1nc(Cl)nc2[nH]cnc21)c1ccc(O)c(O)c1 ZINC001159271916 865193743 /nfs/dbraw/zinc/19/37/43/865193743.db2.gz HALWUSTZJYGKHF-UHFFFAOYSA-N 0 0 319.708 1.664 20 10 DDCDRN COc1cc(NCC(=O)c2ccc(O)c(O)c2)nc(OC)c1 ZINC001159276883 865195916 /nfs/dbraw/zinc/19/59/16/865195916.db2.gz OHAYOAGCCSYPNK-UHFFFAOYSA-N 0 0 304.302 1.805 20 10 DDCDRN COC(=O)c1cc(C)cc(NCC(=O)c2ccc(O)c(O)c2)n1 ZINC001159278957 865199226 /nfs/dbraw/zinc/19/92/26/865199226.db2.gz GTMFXIGSZYDWSP-UHFFFAOYSA-N 0 0 316.313 1.883 20 10 DDCDRN C[C@@H](NCc1ccc(N2CCCC2)cc1)C1N=NC(=O)N1C ZINC001332013739 865504254 /nfs/dbraw/zinc/50/42/54/865504254.db2.gz ZFGWTSQIOWSFEW-GFCCVEGCSA-N 0 0 301.394 1.972 20 10 DDCDRN CN(C)C(=O)[C@H]1CC12CCN(C(=O)Cc1ccc(N)cc1)CC2 ZINC001159866938 865570249 /nfs/dbraw/zinc/57/02/49/865570249.db2.gz CXYHVUQHMVCGRK-OAHLLOKOSA-N 0 0 315.417 1.528 20 10 DDCDRN CNS(=O)(=O)c1cccnc1NCc1c(C)cc(C)cc1O ZINC001160810226 866129370 /nfs/dbraw/zinc/12/93/70/866129370.db2.gz NNSCLBOASNFBEZ-UHFFFAOYSA-N 0 0 321.402 1.924 20 10 DDCDRN O=C(NC[C@H](CO)Cc1ccccc1)c1c(F)ccc(O)c1O ZINC001160999033 866259423 /nfs/dbraw/zinc/25/94/23/866259423.db2.gz ZZTDNYYAWLZBJG-GFCCVEGCSA-N 0 0 319.332 1.818 20 10 DDCDRN CCCC[C@@H](COC)NC(=O)C(=O)N(C)Cc1ccccc1O ZINC001323069773 866312788 /nfs/dbraw/zinc/31/27/88/866312788.db2.gz BQOPYEZFRBKTIP-AWEZNQCLSA-N 0 0 322.405 1.672 20 10 DDCDRN COC(=O)c1ccnc(NCc2ccc(N)cc2)c1[N+](=O)[O-] ZINC001162785875 867822669 /nfs/dbraw/zinc/82/26/69/867822669.db2.gz MWTAUNIPCIUFPK-UHFFFAOYSA-N 0 0 302.290 1.971 20 10 DDCDRN COc1ccc(N2CCN(CN3CC4(CC4)CC3=O)CC2)cc1 ZINC001325207496 867864353 /nfs/dbraw/zinc/86/43/53/867864353.db2.gz CPLVZUTXOSBEKW-UHFFFAOYSA-N 0 0 315.417 1.787 20 10 DDCDRN CC[C@@H]1CCCN1C(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001321925473 867878340 /nfs/dbraw/zinc/87/83/40/867878340.db2.gz ZELXOLXYSKPYQB-CYBMUJFWSA-N 0 0 321.396 1.909 20 10 DDCDRN CN(Cc1ccccc1O)C(=O)c1ncc(C(N)=O)cc1Cl ZINC001335287379 868203436 /nfs/dbraw/zinc/20/34/36/868203436.db2.gz ZIEOTTDGZFXFJJ-UHFFFAOYSA-N 0 0 319.748 1.812 20 10 DDCDRN CN(C)c1ccc(CNC(=O)NCc2csc(N)n2)cc1 ZINC001336224343 868800893 /nfs/dbraw/zinc/80/08/93/868800893.db2.gz CKUWAMQQHULIMT-UHFFFAOYSA-N 0 0 305.407 1.791 20 10 DDCDRN NC(=O)c1ccnc(N2Cc3cccc(O)c3C2)c1[N+](=O)[O-] ZINC001163968183 868833234 /nfs/dbraw/zinc/83/32/34/868833234.db2.gz MNJLPTUHYNLEPI-UHFFFAOYSA-N 0 0 300.274 1.315 20 10 DDCDRN CC1(C)CN(C(=O)NCc2ccc(N)cc2)C[C@@]2(CCOC2)O1 ZINC001336290943 868844859 /nfs/dbraw/zinc/84/48/59/868844859.db2.gz XNOGYILLAHSWAV-QGZVFWFLSA-N 0 0 319.405 1.748 20 10 DDCDRN C[C@@H](O)CC(C)(C)CNC(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001336400718 868924177 /nfs/dbraw/zinc/92/41/77/868924177.db2.gz KWXPSVKQUMYWMY-LLVKDONJSA-N 0 0 320.389 1.148 20 10 DDCDRN CN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CO[C@@H](C2CC2)C1 ZINC001336596161 869040213 /nfs/dbraw/zinc/04/02/13/869040213.db2.gz MVQDEBDXOFGXAH-DZGCQCFKSA-N 0 0 318.373 1.034 20 10 DDCDRN Nc1ccc(CNC(=O)N[C@H]2CCN(c3ccccn3)C2)cc1 ZINC001336863634 869187870 /nfs/dbraw/zinc/18/78/70/869187870.db2.gz UAPZFPGGTNBKJP-HNNXBMFYSA-N 0 0 311.389 1.742 20 10 DDCDRN CCOC(=O)[C@H]1CCN(C(=O)NCCc2ccc(N)cc2)C1 ZINC001336908242 869212739 /nfs/dbraw/zinc/21/27/39/869212739.db2.gz ZTTVVODRCMIRLG-ZDUSSCGKSA-N 0 0 305.378 1.406 20 10 DDCDRN CCN(CC)c1ccc(CN(C)C(=O)N[C@@H]2CNOC2)cc1 ZINC001336955371 869233639 /nfs/dbraw/zinc/23/36/39/869233639.db2.gz BQXOXACGKPNTFZ-CQSZACIVSA-N 0 0 306.410 1.578 20 10 DDCDRN C[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccccc2O)C(C)(C)C1 ZINC001338092476 869795950 /nfs/dbraw/zinc/79/59/50/869795950.db2.gz UBUYUXIGIRUPKB-LBPRGKRZSA-N 0 0 304.390 1.998 20 10 DDCDRN CCn1c(CCC[N+](=O)[O-])nnc1N(C)Cc1ccccc1O ZINC001339354560 870457988 /nfs/dbraw/zinc/45/79/88/870457988.db2.gz QSHHRSLWKPINPU-UHFFFAOYSA-N 0 0 319.365 1.849 20 10 DDCDRN COC(=O)CC[C@H]1COCCN1Cc1cccc(OC)c1O ZINC001203602133 870664375 /nfs/dbraw/zinc/66/43/75/870664375.db2.gz CGXLHBMSSKFJNB-ZDUSSCGKSA-N 0 0 309.362 1.555 20 10 DDCDRN CCOC(=O)[C@@H]1COCCN1Cc1cccc(OCC)c1O ZINC001203614603 870672501 /nfs/dbraw/zinc/67/25/01/870672501.db2.gz BEQNDBSZESIHPN-ZDUSSCGKSA-N 0 0 309.362 1.555 20 10 DDCDRN COc1ccc(CN2CCN(c3ccccn3)C(=O)C2)c(O)c1 ZINC001203634630 870689404 /nfs/dbraw/zinc/68/94/04/870689404.db2.gz OIDPDVQFCQACAJ-UHFFFAOYSA-N 0 0 313.357 1.645 20 10 DDCDRN CC(C)Oc1ccc(COc2c(O)c(O)c(O)c(O)c2O)cn1 ZINC001226464549 882447729 /nfs/dbraw/zinc/44/77/29/882447729.db2.gz JSFJKJIJCPHLDC-UHFFFAOYSA-N 0 0 323.301 1.976 20 10 DDCDRN COc1ccc([C@H](C)Oc2c(O)c(O)c(O)c(O)c2O)cn1 ZINC001226464237 882447752 /nfs/dbraw/zinc/44/77/52/882447752.db2.gz FRYPSZZYEDGLHJ-LURJTMIESA-N 0 0 309.274 1.758 20 10 DDCDRN NC(=O)[C@@H]1CCCN1CCC[NH2+]Cc1ccc(Cl)cc1[O-] ZINC001308864307 871533871 /nfs/dbraw/zinc/53/38/71/871533871.db2.gz HWSLBXSZRJXUBQ-ZDUSSCGKSA-N 0 0 311.813 1.475 20 10 DDCDRN COc1cccc(CNS(=O)(=O)c2cc(N)ccc2C)c1O ZINC001309222775 871557228 /nfs/dbraw/zinc/55/72/28/871557228.db2.gz LARZVZPELYLLLH-UHFFFAOYSA-N 0 0 322.386 1.770 20 10 DDCDRN [NH3+]C[C@]1(O)CCCCN(Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001205725901 871752401 /nfs/dbraw/zinc/75/24/01/871752401.db2.gz MVOVDCNJMRGWRQ-CQSZACIVSA-N 0 0 302.777 1.860 20 10 DDCDRN C[C@H](NC(=O)C(=O)NCC1(C)CC1)c1ccc(N(C)C)cc1 ZINC001342615896 872296799 /nfs/dbraw/zinc/29/67/99/872296799.db2.gz BCWPSGFJGXPFDD-LBPRGKRZSA-N 0 0 303.406 1.846 20 10 DDCDRN Cc1cc(=O)oc2c1ccc([O-])c2CN1C[C@H](F)C[C@H]([NH3+])C1 ZINC001206425417 872308007 /nfs/dbraw/zinc/30/80/07/872308007.db2.gz VWRSKQQZUPQWPE-MNOVXSKESA-N 0 0 306.337 1.678 20 10 DDCDRN [NH3+]C[C@H]1CN(Cc2cc(F)cc(Br)c2[O-])C[C@@H]1O ZINC001206530630 872416674 /nfs/dbraw/zinc/41/66/74/872416674.db2.gz NELVRAAUPWZFGG-KWQFWETISA-N 0 0 319.174 1.045 20 10 DDCDRN COCCn1c(C2SC=CC2=O)nnc1N1CCO[C@H](C)C1 ZINC001343153484 872520461 /nfs/dbraw/zinc/52/04/61/872520461.db2.gz KSDRMIDONABDIV-SNVBAGLBSA-N 0 0 324.406 1.584 20 10 DDCDRN CCn1cc(C(=O)C(=O)Nc2c3nonc3ccc2Cl)cn1 ZINC001344042896 872844284 /nfs/dbraw/zinc/84/42/84/872844284.db2.gz QUCFGATWPBANQY-UHFFFAOYSA-N 0 0 319.708 1.914 20 10 DDCDRN C[C@@]1(C2CCN(C(=O)Cc3ccc(N)cc3)CC2)COC(=O)N1 ZINC001344778789 873113748 /nfs/dbraw/zinc/11/37/48/873113748.db2.gz ZLAJORDNRKFXQA-KRWDZBQOSA-N 0 0 317.389 1.548 20 10 DDCDRN Nc1ccc(CC(=O)Nc2ccnn2[C@@H]2CCCOC2)cc1 ZINC001345525932 873430223 /nfs/dbraw/zinc/43/02/23/873430223.db2.gz OQMQJTOVPBMNNV-CQSZACIVSA-N 0 0 300.362 1.998 20 10 DDCDRN COc1ccc(O)c(C[NH2+]Cc2nnc([C@H]3CCCO3)[n-]2)c1 ZINC001346542149 873796355 /nfs/dbraw/zinc/79/63/55/873796355.db2.gz ZLOZTBOVBZVGFT-CYBMUJFWSA-N 0 0 304.350 1.660 20 10 DDCDRN CCSCC[C@@H](C)NC(=O)C(=O)N(C)Cc1ccccc1O ZINC001346543825 873797932 /nfs/dbraw/zinc/79/79/32/873797932.db2.gz PAIGOMLZNLVUJB-GFCCVEGCSA-N 0 0 324.446 1.999 20 10 DDCDRN CNc1cc(CNC(=O)NCc2ccc(OC)cc2O)ccn1 ZINC001347188419 874046728 /nfs/dbraw/zinc/04/67/28/874046728.db2.gz WXRUWJHSLNABNX-UHFFFAOYSA-N 0 0 316.361 1.837 20 10 DDCDRN COCC1CN(C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC001347303006 874090863 /nfs/dbraw/zinc/09/08/63/874090863.db2.gz IDNLMGBSILVSIA-UHFFFAOYSA-N 0 0 319.405 1.311 20 10 DDCDRN CN(C)c1ccc(CNC(=O)C(=O)N2CC3CC2(C)C3)cc1 ZINC001347412094 874132675 /nfs/dbraw/zinc/13/26/75/874132675.db2.gz XYESUWAMGINANS-UHFFFAOYSA-N 0 0 301.390 1.380 20 10 DDCDRN COC[C@@H]1CCCCN1C(=O)C(=O)N(C)Cc1ccccc1O ZINC001348424275 874548432 /nfs/dbraw/zinc/54/84/32/874548432.db2.gz DUOZCZVWMSQOTQ-AWEZNQCLSA-N 0 0 320.389 1.378 20 10 DDCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)N1CC[C@H]1C ZINC001350432842 875687949 /nfs/dbraw/zinc/68/79/49/875687949.db2.gz QRNZBKLSCYXBAZ-ZIAGYGMSSA-N 0 0 317.433 1.729 20 10 DDCDRN COC(=O)c1ccoc1S(=O)(=O)N1Cc2cccc(O)c2C1 ZINC001213481204 875949154 /nfs/dbraw/zinc/94/91/54/875949154.db2.gz CVFJEYWWRMEBEA-UHFFFAOYSA-N 0 0 323.326 1.476 20 10 DDCDRN C[C@@H](NC(=O)C(=O)N(C)Cc1ccccc1O)c1cncs1 ZINC001351716639 876400338 /nfs/dbraw/zinc/40/03/38/876400338.db2.gz UCRJAOKTKYTVPO-SNVBAGLBSA-N 0 0 319.386 1.685 20 10 DDCDRN C[C@@H](NCc1nnn(CC(F)(F)F)n1)c1ccccc1O ZINC001352925375 877016899 /nfs/dbraw/zinc/01/68/99/877016899.db2.gz LHDSJAZKCAEFBY-MRVPVSSYSA-N 0 0 301.272 1.792 20 10 DDCDRN O=C(c1ccc(O)c(O)c1)c1ccc(O)cc1O[C@H]1C[C@H](O)C1 ZINC001218363846 877464861 /nfs/dbraw/zinc/46/48/61/877464861.db2.gz HTTCQBPUNVDPEU-HAQNSBGRSA-N 0 0 316.309 1.937 20 10 DDCDRN COc1c[nH]c(C(=O)NCc2cc(Cl)ccc2O)cc1=O ZINC001300396303 877521770 /nfs/dbraw/zinc/52/17/70/877521770.db2.gz NLUYLFQFEAHRPW-UHFFFAOYSA-N 0 0 308.721 1.673 20 10 DDCDRN CN(C)c1nc(NC(=O)Cc2ccc(N)cc2)c(N=O)c(=O)[nH]1 ZINC001218662493 877650429 /nfs/dbraw/zinc/65/04/29/877650429.db2.gz GGSLFERNOAWSHI-UHFFFAOYSA-N 0 0 316.321 1.410 20 10 DDCDRN COC(=O)COc1ccc(N(C)Cc2nn(C)cc2C)cc1 ZINC001354595474 878095741 /nfs/dbraw/zinc/09/57/41/878095741.db2.gz UZEWWIQMNVGLAS-UHFFFAOYSA-N 0 0 303.362 1.917 20 10 DDCDRN COC(=O)c1csc(CNC(=O)Cc2ccc(N)cc2)n1 ZINC001219669193 878447304 /nfs/dbraw/zinc/44/73/04/878447304.db2.gz PCWIVTKHEQRXLZ-UHFFFAOYSA-N 0 0 305.359 1.371 20 10 DDCDRN COC(=O)c1cn(C)nc1NC(=O)N[C@@H](C)c1ccccc1O ZINC001220372505 878956298 /nfs/dbraw/zinc/95/62/98/878956298.db2.gz VSYDZPZIPUTXFJ-VIFPVBQESA-N 0 0 318.333 1.795 20 10 DDCDRN [O-]c1c(F)ccc(F)c1CN1CC[NH2+]C[C@@]2(CCCCN2)C1 ZINC001222675013 880640006 /nfs/dbraw/zinc/64/00/06/880640006.db2.gz TZEWIARBYTVXCP-INIZCTEOSA-N 0 0 311.376 1.588 20 10 DDCDRN CN1CC2(CC1=O)CC[NH+](Cc1ccc(C(=O)[O-])cc1O)CC2 ZINC001231453429 885673193 /nfs/dbraw/zinc/67/31/93/885673193.db2.gz GPYHBRMQAYWYSS-UHFFFAOYSA-N 0 0 318.373 1.535 20 10 DDCDRN O=C([O-])c1ccc(O)c(C[N@@H+]2CC[C@H](Oc3cnccn3)C2)c1 ZINC001231569445 885739837 /nfs/dbraw/zinc/73/98/37/885739837.db2.gz ZFDZUWYFXRBNFV-ZDUSSCGKSA-N 0 0 315.329 1.534 20 10 DDCDRN Cc1cccc(CN2CCN(C(=O)C(F)(F)F)CC2)c1O ZINC001231592025 885752455 /nfs/dbraw/zinc/75/24/55/885752455.db2.gz OMEHNQQTKVLQHF-UHFFFAOYSA-N 0 0 302.296 1.907 20 10 DDCDRN COC[C@@H]1c2nnn(C)c2CCN1Cc1cccc(C)c1O ZINC001231592720 885756444 /nfs/dbraw/zinc/75/64/44/885756444.db2.gz PHEWNHZGMZLUNV-CQSZACIVSA-N 0 0 302.378 1.575 20 10 DDCDRN COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@](C)(CO)[C@H](O)C1 ZINC001231849190 885904953 /nfs/dbraw/zinc/90/49/53/885904953.db2.gz OHGPTUJKPMHTNT-SJORKVTESA-N 0 0 308.422 1.326 20 10 DDCDRN COC(=O)[C@@H]1CN(Cc2cc(Cl)c(O)cc2O)CCO1 ZINC001232259915 886191796 /nfs/dbraw/zinc/19/17/96/886191796.db2.gz NIZZEJUXZAWCIH-LBPRGKRZSA-N 0 0 301.726 1.125 20 10 DDCDRN C[C@@]1(CO)C[N@H+](Cc2cccc(C(F)(F)F)c2[O-])CC[C@@H]1O ZINC001233416075 886985298 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CCOC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(CC)cc1O ZINC001236791034 889356968 /nfs/dbraw/zinc/35/69/68/889356968.db2.gz ZEDJAWUEIKLZCE-CQSZACIVSA-N 0 0 320.389 1.208 20 10 DDCDRN COc1ccc(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)c([O-])c1Cl ZINC001236801183 889364226 /nfs/dbraw/zinc/36/42/26/889364226.db2.gz HBOIYMBXHUZPGZ-WDEREUQCSA-N 0 0 301.770 1.229 20 10 DDCDRN COc1cc(C)c(C[N@@H+]2CCC(=O)N3CCC[C@H]3C2)c(O)c1 ZINC001236816215 889372824 /nfs/dbraw/zinc/37/28/24/889372824.db2.gz QXOFTAVXFDJBQY-ZDUSSCGKSA-N 0 0 304.390 1.906 20 10 DDCDRN COc1cc(C[N@@H+]2CCC[C@H](NC(C)=O)C2)c(O)c(OC)c1 ZINC001237675183 889796878 /nfs/dbraw/zinc/79/68/78/889796878.db2.gz BCZWLAGBHCKQAN-ZDUSSCGKSA-N 0 0 308.378 1.510 20 10 DDCDRN NC(=O)[C@@]12C[C@@H]1CCN2Cc1c(O)cccc1Br ZINC001278279603 890340791 /nfs/dbraw/zinc/34/07/91/890340791.db2.gz ZVOQXUBTWBSBEJ-ISVAXAHUSA-N 0 0 311.179 1.604 20 10 DDCDRN O=c1cc(-c2cnn(C3COC3)c2)ccn1Cc1ccncc1 ZINC001240794955 891054030 /nfs/dbraw/zinc/05/40/30/891054030.db2.gz 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C[C@H](NC(=O)N(C)Cc1ccccc1O)[C@H](C)N1CCOCC1 ZINC000105301147 194095303 /nfs/dbraw/zinc/09/53/03/194095303.db2.gz NMMIOSFULPDZHN-KBPBESRZSA-N 0 0 321.421 1.643 20 10 DDCDRN CO[C@H](C)CS(=O)(=O)N1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000377111528 533101014 /nfs/dbraw/zinc/10/10/14/533101014.db2.gz IBLKYSFUYAVTPO-CYBMUJFWSA-N 0 0 324.446 1.816 20 10 DDCDRN COC(=O)CN(C(=O)/C=C/c1cnccn1)c1cccc(C)n1 ZINC000491928537 533465568 /nfs/dbraw/zinc/46/55/68/533465568.db2.gz HUBCPCGDUQCQAN-VOTSOKGWSA-N 0 0 312.329 1.399 20 10 DDCDRN O=C(c1ccccn1)N1CCN(Cc2cc(F)ccc2O)CC1 ZINC000272325817 130020425 /nfs/dbraw/zinc/02/04/25/130020425.db2.gz VHSPFSBHIRHIHM-UHFFFAOYSA-N 0 0 315.348 1.884 20 10 DDCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](C)CN2CCOCC2)c1 ZINC000273400677 130117433 /nfs/dbraw/zinc/11/74/33/130117433.db2.gz MXNYVQOQPXRQSA-STQMWFEESA-N 0 0 322.405 1.550 20 10 DDCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCNC(=O)C2CC2)c1 ZINC000273423289 130119721 /nfs/dbraw/zinc/11/97/21/130119721.db2.gz 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408008449 /nfs/dbraw/zinc/00/84/49/408008449.db2.gz JGVCDAQFXLOGLG-INIZCTEOSA-N 0 0 321.421 1.483 20 10 DDCDRN CN(C)c1ccc(CNC(=O)N[C@@H]2CCC(=O)N(C)C2)cc1 ZINC000121248508 408171849 /nfs/dbraw/zinc/17/18/49/408171849.db2.gz AZFPOUXQPPPUDB-CYBMUJFWSA-N 0 0 304.394 1.173 20 10 DDCDRN CC(C)(C)OC(=O)NCCNC(=O)NCc1ccccc1O ZINC000263788570 408258920 /nfs/dbraw/zinc/25/89/20/408258920.db2.gz RHRNEVWNMJUFAB-UHFFFAOYSA-N 0 0 309.366 1.716 20 10 DDCDRN CCCC[C@H](NC(N)=O)C(=O)NCc1cccc(OC)c1O ZINC000269174689 408228106 /nfs/dbraw/zinc/22/81/06/408228106.db2.gz JESPFSLGXGSMKW-NSHDSACASA-N 0 0 309.366 1.244 20 10 DDCDRN CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)Cc2ccc(N)cc2)C1 ZINC000269230515 408232505 /nfs/dbraw/zinc/23/25/05/408232505.db2.gz TWROFNDDDQHGBX-UKRRQHHQSA-N 0 0 303.406 1.575 20 10 DDCDRN Cc1sc(=O)n(CC(=O)NCCc2ccc(O)c(O)c2)c1C ZINC000122256939 408272812 /nfs/dbraw/zinc/27/28/12/408272812.db2.gz OKLMQSQWRDHNAY-UHFFFAOYSA-N 0 0 322.386 1.297 20 10 DDCDRN CN(C)c1ccc(CN(Cc2nc(N)nc(N)n2)C2CC2)cc1 ZINC000269509727 408335787 /nfs/dbraw/zinc/33/57/87/408335787.db2.gz OBHDADKVCIUEND-UHFFFAOYSA-N 0 0 313.409 1.267 20 10 DDCDRN COC[C@@H](O)CN(CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000269602884 408358779 /nfs/dbraw/zinc/35/87/79/408358779.db2.gz AXXXMSHQYBWATO-LBPRGKRZSA-N 0 0 317.769 1.028 20 10 DDCDRN COc1ccc2c(c1)CCCCN2Cc1nc(N)nc(N)n1 ZINC000270857667 408711851 /nfs/dbraw/zinc/71/18/51/408711851.db2.gz JHQJBGPZJUKOLB-UHFFFAOYSA-N 0 0 300.366 1.388 20 10 DDCDRN C[C@@H]1CCNC(=O)[C@H]1NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000194032547 408761051 /nfs/dbraw/zinc/76/10/51/408761051.db2.gz KVXKVTRHVAMPEE-YGRLFVJLSA-N 0 0 322.384 1.216 20 10 DDCDRN O=C(c1c(F)ccc(O)c1O)N1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000276592353 408890380 /nfs/dbraw/zinc/89/03/80/408890380.db2.gz NGVWMOFHJVVKHK-CPCISQLKSA-N 0 0 323.242 1.765 20 10 DDCDRN Cc1cc(C(=O)N[C@@]2(C)CCOC2=O)c(C)n1-c1ccccn1 ZINC000292560615 409036911 /nfs/dbraw/zinc/03/69/11/409036911.db2.gz TXZJRDTWESXCNQ-KRWDZBQOSA-N 0 0 313.357 1.925 20 10 DDCDRN 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FJAWUTUMMPVIDK-KRWDZBQOSA-N 0 0 317.389 1.590 20 10 DDCDRN O=C(Cc1ccc(F)cn1)NCCc1cc(O)c(O)cc1O ZINC001142022255 860996423 /nfs/dbraw/zinc/99/64/23/860996423.db2.gz OGALKZWTHIBFHI-UHFFFAOYSA-N 0 0 306.293 1.239 20 10 DDCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@]1(F)CCOC1 ZINC001329023750 863427351 /nfs/dbraw/zinc/42/73/51/863427351.db2.gz LAVXWCPRVHTWSD-KRWDZBQOSA-N 0 0 322.380 1.393 20 10 DDCDRN CCN(CC)c1ccc(CNC(=O)C(=O)NC2CC=CC2)cc1 ZINC001329764688 863838375 /nfs/dbraw/zinc/83/83/75/863838375.db2.gz PVQWHVNEFJFDJP-UHFFFAOYSA-N 0 0 315.417 1.984 20 10 DDCDRN O=C(COc1ccc(CO)cc1)NCc1cccc(O)c1O ZINC001153798881 864110859 /nfs/dbraw/zinc/11/08/59/864110859.db2.gz XBHFNNPMWCZXAS-UHFFFAOYSA-N 0 0 303.314 1.285 20 10 DDCDRN COC(C)(C)CN(C)C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001330477813 864389071 /nfs/dbraw/zinc/38/90/71/864389071.db2.gz JOLPPDLJMZGYCC-UHFFFAOYSA-N 0 0 306.362 1.118 20 10 DDCDRN CCOC(=O)c1cncnc1NCC(=O)c1ccc(O)c(O)c1 ZINC001159273764 865194397 /nfs/dbraw/zinc/19/43/97/865194397.db2.gz ZXVIAQQDVWOUOQ-UHFFFAOYSA-N 0 0 317.301 1.359 20 10 DDCDRN COc1cnc(NCC(=O)c2ccc(O)c(O)c2)c([N+](=O)[O-])c1 ZINC001159276566 865195627 /nfs/dbraw/zinc/19/56/27/865195627.db2.gz KSEVLLZYCQEBOU-UHFFFAOYSA-N 0 0 319.273 1.704 20 10 DDCDRN Nc1cc([N+](=O)[O-])cnc1NCC(=O)c1ccc(O)c(O)c1 ZINC001159279760 865198242 /nfs/dbraw/zinc/19/82/42/865198242.db2.gz XLNFQGFWORMVOK-UHFFFAOYSA-N 0 0 304.262 1.278 20 10 DDCDRN C[C@H]1CC[C@H](NC(=O)C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC001331949782 865453022 /nfs/dbraw/zinc/45/30/22/865453022.db2.gz MPLRKULOVRRSQJ-JSGCOSHPSA-N 0 0 303.406 1.674 20 10 DDCDRN C[C@@H]1SCC[C@H]1NC(=O)C(=O)N(C)Cc1ccccc1O ZINC001332306106 865745450 /nfs/dbraw/zinc/74/54/50/865745450.db2.gz PKUIGXLPLKCROP-CMPLNLGQSA-N 0 0 308.403 1.361 20 10 DDCDRN Nc1ccc(CC(=O)N2CC3(C2)CN(c2ccccc2)C3=O)cc1 ZINC001160572836 865951813 /nfs/dbraw/zinc/95/18/13/865951813.db2.gz BOBCVMFSKFUISO-UHFFFAOYSA-N 0 0 321.380 1.687 20 10 DDCDRN Nc1ccc(CC(=O)N2CCC(Oc3cnccn3)CC2)cc1 ZINC001160891044 866171496 /nfs/dbraw/zinc/17/14/96/866171496.db2.gz YFISQTGBWUGKNH-UHFFFAOYSA-N 0 0 312.373 1.671 20 10 DDCDRN CCN(Cc1cc(Br)ccc1O)c1nnnn1C ZINC001332940566 866275695 /nfs/dbraw/zinc/27/56/95/866275695.db2.gz TXOFFZZFVWINNL-UHFFFAOYSA-N 0 0 312.171 1.705 20 10 DDCDRN CSCC[C@@H](C)NC(=O)C(=O)N(C)Cc1ccccc1O ZINC001323029665 866282620 /nfs/dbraw/zinc/28/26/20/866282620.db2.gz LZWQZEXUNAVRIQ-LLVKDONJSA-N 0 0 310.419 1.608 20 10 DDCDRN C[C@]1(CCNC(=O)C(=O)N2Cc3cccc(O)c3C2)CC1(F)F ZINC001333096935 866417263 /nfs/dbraw/zinc/41/72/63/866417263.db2.gz LHOUQMHIAUEZRJ-HNNXBMFYSA-N 0 0 324.327 1.786 20 10 DDCDRN CCOc1ccc(N2CCN(C(=O)[C@@H]3CCOC3)CC2)cc1 ZINC001320023800 866434499 /nfs/dbraw/zinc/43/44/99/866434499.db2.gz KXIIRIPYGVPUSF-CQSZACIVSA-N 0 0 304.390 1.770 20 10 DDCDRN O=C(N[C@@H]1C[C@@H]2CCC[C@@H]12)C(=O)N1Cc2cccc(O)c2C1 ZINC001333427965 866734691 /nfs/dbraw/zinc/73/46/91/866734691.db2.gz HNQBWBLMOQHRNY-ZKYQVNSYSA-N 0 0 300.358 1.539 20 10 DDCDRN C[C@H]1C[C@@H]1CNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC001323745527 866814486 /nfs/dbraw/zinc/81/44/86/866814486.db2.gz IJMWCGLFOLSHHB-DZGCQCFKSA-N 0 0 313.401 1.451 20 10 DDCDRN CCOC(=O)c1cnccc1NCCc1ccc(O)c(O)c1 ZINC001323997514 867000699 /nfs/dbraw/zinc/00/06/99/867000699.db2.gz ZYQBYMWNHKIHMR-UHFFFAOYSA-N 0 0 302.330 1.746 20 10 DDCDRN CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2[C@@H]3CCC[C@@H]32)cc1F ZINC001324530464 867336315 /nfs/dbraw/zinc/33/63/15/867336315.db2.gz ONRAWURQGAGJCF-JYAVWHMHSA-N 0 0 319.380 1.423 20 10 DDCDRN O=C(NCc1ccc(O)cc1O)c1sccc1-n1cnnn1 ZINC001162271948 867398872 /nfs/dbraw/zinc/39/88/72/867398872.db2.gz WNTKDSJPJHWANZ-UHFFFAOYSA-N 0 0 317.330 1.065 20 10 DDCDRN CN(C)c1ncccc1/C=C1\SC(N2CCOCC2)=NC1=O ZINC001322874611 868438657 /nfs/dbraw/zinc/43/86/57/868438657.db2.gz ACDFIPDZVTZZAL-BENRWUELSA-N 0 0 318.402 1.450 20 10 DDCDRN O=C(C(=O)N1CCC[C@H](CCF)C1)N1Cc2cccc(O)c2C1 ZINC001335637298 868443412 /nfs/dbraw/zinc/44/34/12/868443412.db2.gz WATJQDPQVFKOBW-GFCCVEGCSA-N 0 0 320.364 1.833 20 10 DDCDRN CN(C)C(=O)O[C@@H]1CCN(C(=O)NCc2ccc(N)cc2)C1 ZINC001335724718 868498885 /nfs/dbraw/zinc/49/88/85/868498885.db2.gz JGBCRGOSDMYFGL-CYBMUJFWSA-N 0 0 306.366 1.251 20 10 DDCDRN C[C@@]1(CCCC(=O)N2Cc3cccc(O)c3C2)NC(=O)NC1=O ZINC001335796552 868544749 /nfs/dbraw/zinc/54/47/49/868544749.db2.gz OEOQHLFBIKJRII-INIZCTEOSA-N 0 0 317.345 1.003 20 10 DDCDRN Nc1ccc(CNC(=O)N2CCO[C@H]([C@H]3CCCO3)C2)cc1 ZINC001337020118 869267869 /nfs/dbraw/zinc/26/78/69/869267869.db2.gz YEHGANGMDNGVAW-CABCVRRESA-N 0 0 305.378 1.358 20 10 DDCDRN COC[C@H]1C[C@@H](O)CN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001164626590 869333563 /nfs/dbraw/zinc/33/35/63/869333563.db2.gz JYUIZLZZVIZFLA-VXGBXAGGSA-N 0 0 306.322 1.071 20 10 DDCDRN COc1cc(N(C)Cc2ccn(C)n2)c([N+](=O)[O-])cc1OC ZINC001338077857 869786250 /nfs/dbraw/zinc/78/62/50/869786250.db2.gz JJHGCNICPFLUIR-UHFFFAOYSA-N 0 0 306.322 1.982 20 10 DDCDRN Cn1c(C2SC=CC2=O)nnc1N1CCC[C@H]1C1OCCO1 ZINC001338087200 869792606 /nfs/dbraw/zinc/79/26/06/869792606.db2.gz KWMXTYXKCGYLDL-VIFPVBQESA-N 0 0 322.390 1.591 20 10 DDCDRN CO[C@@]1(c2nnc(N(C)Cc3ccccc3O)n2C)CCOC1 ZINC001338122863 869816663 /nfs/dbraw/zinc/81/66/63/869816663.db2.gz LRMYBYCTAODNCP-INIZCTEOSA-N 0 0 318.377 1.419 20 10 DDCDRN Nc1ccc(CNC(=O)NCCCOC[C@H]2CCOC2)cc1 ZINC001338792843 870170559 /nfs/dbraw/zinc/17/05/59/870170559.db2.gz JOSLQYKXCIVZLS-CQSZACIVSA-N 0 0 307.394 1.511 20 10 DDCDRN CN(Cc1cn(C)nn1)c1nnc(C2SC=CC2=O)n1C ZINC001339458745 870507087 /nfs/dbraw/zinc/50/70/87/870507087.db2.gz SLCUMIWRCOJVPT-UHFFFAOYSA-N 0 0 305.367 1.014 20 10 DDCDRN COC[C@H]1c2nnn(C)c2CCN1Cc1cccc(OC)c1O ZINC001203591937 870656314 /nfs/dbraw/zinc/65/63/14/870656314.db2.gz NRVLRFCGMUKUGL-ZDUSSCGKSA-N 0 0 318.377 1.275 20 10 DDCDRN CCOC(=O)[C@@H]1CN(Cc2cccc(OCC)c2O)CCC1=O ZINC001203603625 870665917 /nfs/dbraw/zinc/66/59/17/870665917.db2.gz UMGTYLXVRGUPSL-CYBMUJFWSA-N 0 0 321.373 1.745 20 10 DDCDRN COc1cc(Br)cc(CN2CC(CO)C2)c1O ZINC001204338281 871061057 /nfs/dbraw/zinc/06/10/57/871061057.db2.gz CHOSBRAYLNKHPU-UHFFFAOYSA-N 0 0 302.168 1.587 20 10 DDCDRN COc1cc(CN2Cc3ccnn3CC[C@H]2CO)cc(O)c1O ZINC001204348873 871069235 /nfs/dbraw/zinc/06/92/35/871069235.db2.gz KFFQOIXWXPYRMK-ZDUSSCGKSA-N 0 0 319.361 1.070 20 10 DDCDRN CO[C@@H](Cc1ccccc1)C(=O)NCc1c(O)cccc1O ZINC001304053268 871183631 /nfs/dbraw/zinc/18/36/31/871183631.db2.gz GESOPDJOXNRKTN-INIZCTEOSA-N 0 0 301.342 1.972 20 10 DDCDRN O=C(NCc1c(O)cccc1O)c1cncc(-n2ccnn2)c1 ZINC001304053283 871183667 /nfs/dbraw/zinc/18/36/67/871183667.db2.gz GPXHJBWIXZRXIN-UHFFFAOYSA-N 0 0 311.301 1.004 20 10 DDCDRN Cc1ccnc2nc(C(=O)NCc3cccc(Cl)c3O)nn21 ZINC001305069817 871260170 /nfs/dbraw/zinc/26/01/70/871260170.db2.gz PWFAOGOGRSDWIL-UHFFFAOYSA-N 0 0 317.736 1.722 20 10 DDCDRN O=C(CC[NH2+]Cc1cc(Cl)cc(F)c1[O-])N1CCOCC1 ZINC001308211851 871479683 /nfs/dbraw/zinc/47/96/83/871479683.db2.gz CKQWVORMNXDPOI-UHFFFAOYSA-N 0 0 316.760 1.523 20 10 DDCDRN O=C(NC/C=C/Cl)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC001341092908 871497448 /nfs/dbraw/zinc/49/74/48/871497448.db2.gz INNNLZDWUHRBFO-FPYGCLRLSA-N 0 0 319.792 1.548 20 10 DDCDRN C[C@@H]1C[C@H](CS(=O)(=O)N2Cc3cccc(O)c3C2)CCO1 ZINC001309790252 871597572 /nfs/dbraw/zinc/59/75/72/871597572.db2.gz TVBWOQKXNFEQSG-VXGBXAGGSA-N 0 0 311.403 1.853 20 10 DDCDRN Cc1ncsc1CNC(=O)C(=O)N(C)Cc1ccccc1O ZINC001341830070 871845251 /nfs/dbraw/zinc/84/52/51/871845251.db2.gz NERICXXNKLHCIA-UHFFFAOYSA-N 0 0 319.386 1.432 20 10 DDCDRN CCC[C@H](C)N1C[C@@H](C(=O)NCc2ccc(N)cc2)CC1=O ZINC001343566582 872673031 /nfs/dbraw/zinc/67/30/31/872673031.db2.gz IMEBKLGZMYHDJP-JSGCOSHPSA-N 0 0 303.406 1.922 20 10 DDCDRN CNC(=O)c1ccc(NC(=O)N[C@H](C)c2ccccc2O)nn1 ZINC001207239206 873139527 /nfs/dbraw/zinc/13/95/27/873139527.db2.gz QBQQLZMASXHRQB-SECBINFHSA-N 0 0 315.333 1.425 20 10 DDCDRN CN1CCN(c2ccc(CNc3cncnc3)cc2F)CC1 ZINC001345098057 873256394 /nfs/dbraw/zinc/25/63/94/873256394.db2.gz PZMGFZKTGFCCQJ-UHFFFAOYSA-N 0 0 301.369 1.980 20 10 DDCDRN C[C@H]1CN(C(=O)c2csc(Cc3ccc(N)cc3)n2)C[C@@H]1O ZINC001345406333 873392228 /nfs/dbraw/zinc/39/22/28/873392228.db2.gz UOQPXUZMZNPOTR-HZMBPMFUSA-N 0 0 317.414 1.769 20 10 DDCDRN C[C@]1(NC(=O)NCc2c(O)ccc3c2CCCC3)CCOC1=O ZINC001346991813 873964666 /nfs/dbraw/zinc/96/46/66/873964666.db2.gz UXLZLPZSPGFLCP-KRWDZBQOSA-N 0 0 318.373 1.776 20 10 DDCDRN C[C@@]1(NC(=O)NCc2ccc(N3CC=CC3)cc2)CCOC1=O ZINC001347386334 874120787 /nfs/dbraw/zinc/12/07/87/874120787.db2.gz XOPNJUCOULMKFH-QGZVFWFLSA-N 0 0 315.373 1.568 20 10 DDCDRN CC[C@H](C)C(=O)NCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001348498348 874595107 /nfs/dbraw/zinc/59/51/07/874595107.db2.gz AGMBTIZCJHQFAD-JTQLQIEISA-N 0 0 319.365 1.741 20 10 DDCDRN O=C(C(=O)N1CCC(F)(F)CC1)N1Cc2cccc(O)c2C1 ZINC001348587643 874651416 /nfs/dbraw/zinc/65/14/16/874651416.db2.gz UGCPCVGPYGGILH-UHFFFAOYSA-N 0 0 310.300 1.492 20 10 DDCDRN CN(CC1CCCC1)C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001348596167 874656938 /nfs/dbraw/zinc/65/69/38/874656938.db2.gz JJCSATVLSDKBSE-UHFFFAOYSA-N 0 0 302.374 1.883 20 10 DDCDRN CC1(C)CCCN(C(=O)C(=O)NCCc2ccc(N)cc2)C1 ZINC001348603865 874661848 /nfs/dbraw/zinc/66/18/48/874661848.db2.gz FQLZCHPYKUXTAA-UHFFFAOYSA-N 0 0 303.406 1.576 20 10 DDCDRN COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2conc2C)c1 ZINC001210085241 875221667 /nfs/dbraw/zinc/22/16/67/875221667.db2.gz GAUIPVMNQGMWFP-MRVPVSSYSA-N 0 0 312.347 1.737 20 10 DDCDRN O=C(NCc1cccc(O)c1O)c1cncc(N2CCCC2)n1 ZINC001350299580 875618380 /nfs/dbraw/zinc/61/83/80/875618380.db2.gz FBHYVOLOIUSWCP-UHFFFAOYSA-N 0 0 314.345 1.418 20 10 DDCDRN Cc1nc(S(C)(=O)=O)ccc1NC(=O)Cc1ccc(N)cc1 ZINC001218660957 877647835 /nfs/dbraw/zinc/64/78/35/877647835.db2.gz HDGRVLFNFYWUIB-UHFFFAOYSA-N 0 0 319.386 1.557 20 10 DDCDRN C[C@H](NC(=O)c1cc2n(n1)C[C@@H](C)NC2)c1ccccc1O ZINC001354535112 878050801 /nfs/dbraw/zinc/05/08/01/878050801.db2.gz BWHIJPHMSWJLTH-MNOVXSKESA-N 0 0 300.362 1.571 20 10 DDCDRN Cc1cc(C)c(CNC(=O)Cn2cccc(N)c2=O)c(O)c1 ZINC001220825802 879289811 /nfs/dbraw/zinc/28/98/11/879289811.db2.gz RUYUKNQJTFNGLR-UHFFFAOYSA-N 0 0 301.346 1.069 20 10 DDCDRN C[C@@H]1OCC[C@]12CN(C(=O)NCc1ccc(N)cc1)CCO2 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313.375 1.107 20 10 DDCDRN O=C(Cc1nnc[nH]1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000866899010 706838967 /nfs/dbraw/zinc/83/89/67/706838967.db2.gz CRILCVITPKXZOF-CYBMUJFWSA-N 0 0 316.361 1.261 20 10 DDCDRN CN(C)c1ccc(/C=C/CNCc2cc(C(N)=O)no2)cc1 ZINC000835048715 707161962 /nfs/dbraw/zinc/16/19/62/707161962.db2.gz XWXCCJHRNQIUPG-ONEGZZNKSA-N 0 0 300.362 1.643 20 10 DDCDRN COC(=O)[C@@H]1CCCC[C@@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000836842296 707528094 /nfs/dbraw/zinc/52/80/94/707528094.db2.gz MBAALGBLNXYPAL-PYISVCGKSA-N 0 0 319.357 1.959 20 10 DDCDRN C[C@@H](Cc1cnn(C)c1)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000836981107 707558745 /nfs/dbraw/zinc/55/87/45/707558745.db2.gz XFOWALXJUWRNEO-MALLOTDXSA-N 0 0 301.346 1.592 20 10 DDCDRN CC[C@@](COC)(NC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)OC ZINC000837254872 707605238 /nfs/dbraw/zinc/60/52/38/707605238.db2.gz BOWYUOHAZKEXKK-IOBAAEILSA-N 0 0 323.345 1.195 20 10 DDCDRN COC(=O)c1cc(CNC(=O)C2=CC(=O)CS2)n(C)c1C ZINC000882383734 707615948 /nfs/dbraw/zinc/61/59/48/707615948.db2.gz 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CCn1cnc2c1CCN(C(=O)/C=C\c1ccc(O)c(O)c1)C2 ZINC000886616855 708795461 /nfs/dbraw/zinc/79/54/61/708795461.db2.gz VNKXSULTULVBHG-XQRVVYSFSA-N 0 0 313.357 1.912 20 10 DDCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2CCc3nnn(C)c3C2)c1 ZINC000927864673 713069056 /nfs/dbraw/zinc/06/90/56/713069056.db2.gz TZRGGVOLGCLFNV-GFCCVEGCSA-N 0 0 315.377 1.186 20 10 DDCDRN Cn1nnc2c1C[C@@H](NC(=O)NCc1c(O)cccc1F)CC2 ZINC000927866474 713069547 /nfs/dbraw/zinc/06/95/47/713069547.db2.gz DBSPBCXSTDMDMG-VIFPVBQESA-N 0 0 319.340 1.017 20 10 DDCDRN Nc1ccc(NC(=O)C(=O)NC2([C@@H]3CCCCO3)CC2)cc1 ZINC000927935979 713080909 /nfs/dbraw/zinc/08/09/09/713080909.db2.gz NMQNGQHEDKKTNL-ZDUSSCGKSA-N 0 0 303.362 1.425 20 10 DDCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccnn1[C@@H]1CCOC1 ZINC000888591252 709345824 /nfs/dbraw/zinc/34/58/24/709345824.db2.gz SSYLXIWCOOSPOK-DTRQGZQOSA-N 0 0 315.329 1.908 20 10 DDCDRN CCCN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@H](C)C(=O)OC ZINC000888613519 709351754 /nfs/dbraw/zinc/35/17/54/709351754.db2.gz VIPZJICEGQBYDZ-LXSSAFMLSA-N 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CC(C)(O)CNC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000108557731 696634208 /nfs/dbraw/zinc/63/42/08/696634208.db2.gz WISRWHWIMAZQKM-UHFFFAOYSA-N 0 0 323.462 1.810 20 10 DDCDRN CN(C)S(=O)(=O)c1ccc(CN(C)Cc2ccccc2O)o1 ZINC000109773732 696638147 /nfs/dbraw/zinc/63/81/47/696638147.db2.gz YANTVPKAXXIYHM-UHFFFAOYSA-N 0 0 324.402 1.868 20 10 DDCDRN [O-]c1c(Br)cccc1C[NH2+]CC1(O)CCOCC1 ZINC000112717365 696652335 /nfs/dbraw/zinc/65/23/35/696652335.db2.gz ZHCSGSLXEGZXRW-UHFFFAOYSA-N 0 0 316.195 1.786 20 10 DDCDRN CCS(=O)(=O)CC(=O)NCCCSc1nccs1 ZINC000114375010 696660393 /nfs/dbraw/zinc/66/03/93/696660393.db2.gz FVJLXGGPVRWALD-UHFFFAOYSA-N 0 0 308.450 1.176 20 10 DDCDRN Cc1cc(C(=O)OC[C@@H]2CCC(=O)N2)c(C)n1-c1ccccn1 ZINC000120089019 696689702 /nfs/dbraw/zinc/68/97/02/696689702.db2.gz MWCKCWWXXXVWSZ-ZDUSSCGKSA-N 0 0 313.357 1.925 20 10 DDCDRN CN(C)c1ccc(CNC(=O)NC[C@]2(CCO)CCOC2)cc1 ZINC000127797975 696774314 /nfs/dbraw/zinc/77/43/14/696774314.db2.gz SZWWTKBGZDPJJY-KRWDZBQOSA-N 0 0 321.421 1.341 20 10 DDCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCCNC(N)=O ZINC000135123280 696844821 /nfs/dbraw/zinc/84/48/21/696844821.db2.gz ISQIBICYYTZHEQ-UHFFFAOYSA-N 0 0 306.391 1.554 20 10 DDCDRN COc1ccc(N(C)CC(=O)N2CCO[C@H](C)C2)cc1OC ZINC000140319157 696865865 /nfs/dbraw/zinc/86/58/65/696865865.db2.gz YNBDZHPXRDEIFI-GFCCVEGCSA-N 0 0 308.378 1.387 20 10 DDCDRN O=C(Cc1ccc(-n2cnnn2)cc1)NCc1ccccc1O ZINC000748345672 700111485 /nfs/dbraw/zinc/11/14/85/700111485.db2.gz HUKYWHDPDHKNNK-UHFFFAOYSA-N 0 0 309.329 1.227 20 10 DDCDRN CN(C)c1ccc(CNC(=O)c2cc(C(N)=O)cn2C)cc1 ZINC000151496046 696886500 /nfs/dbraw/zinc/88/65/00/696886500.db2.gz FXRPHIFIDMCDEK-UHFFFAOYSA-N 0 0 300.362 1.120 20 10 DDCDRN CC(C)(CO)CNC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000153835190 696922622 /nfs/dbraw/zinc/92/26/22/696922622.db2.gz GBCKVZLXCIUQNF-UHFFFAOYSA-N 0 0 321.421 1.341 20 10 DDCDRN CS(=O)(=O)N1CCC([NH2+]Cc2cccc(Cl)c2[O-])CC1 ZINC000158097056 696986390 /nfs/dbraw/zinc/98/63/90/696986390.db2.gz OCCVWFKBQVQEIZ-UHFFFAOYSA-N 0 0 318.826 1.559 20 10 DDCDRN C[C@@H]1CN(Cc2cc3c(cc2O)CCCC3)CCS1(=O)=O ZINC000160224797 697315968 /nfs/dbraw/zinc/31/59/68/697315968.db2.gz HWYXPCFCLLNVLE-GFCCVEGCSA-N 0 0 309.431 1.890 20 10 DDCDRN COc1ccc(O)c(CNC(=O)Nc2cn(C)c(=O)cc2C)c1 ZINC000162187315 697326658 /nfs/dbraw/zinc/32/66/58/697326658.db2.gz NDFDBZNILDRPMH-UHFFFAOYSA-N 0 0 317.345 1.730 20 10 DDCDRN CNC(=O)Cc1noc(-c2ccc(-n3cccc3)c(F)c2)n1 ZINC000162989524 697331655 /nfs/dbraw/zinc/33/16/55/697331655.db2.gz PFGDYFSNYBUGLH-UHFFFAOYSA-N 0 0 300.293 1.955 20 10 DDCDRN CN(C)c1ccc(CNC(=O)N2CCC[C@@H](CC(N)=O)C2)cc1 ZINC000175199577 697395356 /nfs/dbraw/zinc/39/53/56/697395356.db2.gz MFRMUXQHIBBFNR-AWEZNQCLSA-N 0 0 318.421 1.550 20 10 DDCDRN COc1ccc(N2CCC(NC(=O)N(C)CCCO)CC2)cc1 ZINC000799569839 700150665 /nfs/dbraw/zinc/15/06/65/700150665.db2.gz BQNKOELMASXWBD-UHFFFAOYSA-N 0 0 321.421 1.688 20 10 DDCDRN COc1ccc(N2CCN(C(=O)Cn3cccn3)CC2)cc1F ZINC000177282917 697411755 /nfs/dbraw/zinc/41/17/55/697411755.db2.gz QYJQSYJKQVJMMR-UHFFFAOYSA-N 0 0 318.352 1.380 20 10 DDCDRN COc1ccc(O)c(CNC(=O)CCc2cnn(C)c2C)c1 ZINC000179359651 697437095 /nfs/dbraw/zinc/43/70/95/697437095.db2.gz KBIQEMFZNJCHNK-UHFFFAOYSA-N 0 0 303.362 1.692 20 10 DDCDRN Cc1cc(C(=O)NCCCn2ccnn2)c(C)n1-c1ccccn1 ZINC000182731170 697478927 /nfs/dbraw/zinc/47/89/27/697478927.db2.gz NMOMDQXDWPMQMT-UHFFFAOYSA-N 0 0 324.388 1.901 20 10 DDCDRN CC(C)NC(=O)CCCC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000186378259 697532218 /nfs/dbraw/zinc/53/22/18/697532218.db2.gz LGRMNFOUZKPPPD-LBPRGKRZSA-N 0 0 322.405 1.840 20 10 DDCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(F)(F)C1(O)CCC1 ZINC000186389918 697532524 /nfs/dbraw/zinc/53/25/24/697532524.db2.gz MBFYCJMGEAVKBC-SECBINFHSA-N 0 0 315.316 1.695 20 10 DDCDRN C[C@H](NC(=O)N(C)Cc1ccccc1O)c1nnnn1C1CC1 ZINC000188841586 697565644 /nfs/dbraw/zinc/56/56/44/697565644.db2.gz ZBOSXCSXLYCNQP-JTQLQIEISA-N 0 0 316.365 1.616 20 10 DDCDRN O=C(Nc1cnn(Cc2ccccn2)c1)c1cccc(O)c1O ZINC000189893150 697581753 /nfs/dbraw/zinc/58/17/53/697581753.db2.gz RTCFBIYQBMVFBG-UHFFFAOYSA-N 0 0 310.313 1.990 20 10 DDCDRN COc1ccc(O)c(CNC(=O)NCCOCC(F)F)c1 ZINC000190175037 697584617 /nfs/dbraw/zinc/58/46/17/697584617.db2.gz JFFQPHVRNMDHHR-UHFFFAOYSA-N 0 0 304.293 1.482 20 10 DDCDRN C[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)C[C@H](CO)O1 ZINC000191520179 697609564 /nfs/dbraw/zinc/60/95/64/697609564.db2.gz LBFCCBVSKBPPAF-WMLDXEAASA-N 0 0 306.406 1.105 20 10 DDCDRN CC(C)Oc1ccc(N(C)C[C@H](O)CN2CCOCC2)cc1 ZINC000191599757 697610809 /nfs/dbraw/zinc/61/08/09/697610809.db2.gz ZSVIKDROQKDGHA-INIZCTEOSA-N 0 0 308.422 1.603 20 10 DDCDRN COC(=O)c1ccc(/C=C2/SC(N3CCOCC3)=NC2=O)o1 ZINC000749452131 700164323 /nfs/dbraw/zinc/16/43/23/700164323.db2.gz JKRRJYKWPAVVSH-DHZHZOJOSA-N 0 0 322.342 1.369 20 10 DDCDRN Cc1cc(NC(=O)COC(=O)/C=C/c2ccc(O)c(O)c2)no1 ZINC000772771728 697677326 /nfs/dbraw/zinc/67/73/26/697677326.db2.gz YBOIPXINHGEZTI-HWKANZROSA-N 0 0 318.285 1.589 20 10 DDCDRN C[C@H](NC(=O)C1CCS(=O)(=O)CC1)c1ccc(N(C)C)cc1 ZINC000773000174 697702373 /nfs/dbraw/zinc/70/23/73/697702373.db2.gz NREFHNWVDLWKHW-LBPRGKRZSA-N 0 0 324.446 1.755 20 10 DDCDRN C[C@@H](NC(=O)c1cc(C(N)=O)c[nH]1)c1ccc(N(C)C)cc1 ZINC000773026754 697704731 /nfs/dbraw/zinc/70/47/31/697704731.db2.gz TZPIZTBSKIGGML-SNVBAGLBSA-N 0 0 300.362 1.671 20 10 DDCDRN C[C@@H](NC(=O)N[C@H]1CCC(=O)N(C)C1)c1ccc(N(C)C)cc1 ZINC000773317385 697743283 /nfs/dbraw/zinc/74/32/83/697743283.db2.gz WTBBECSIKDIWQQ-OCCSQVGLSA-N 0 0 318.421 1.734 20 10 DDCDRN C[C@H](C[S@](C)=O)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773438659 697760147 /nfs/dbraw/zinc/76/01/47/697760147.db2.gz DVHMEXDQQJDNNS-ZSMADZGOSA-N 0 0 311.451 1.880 20 10 DDCDRN C[C@H]1OCC[C@@]1(O)C[NH2+]Cc1cccc(Br)c1[O-] ZINC000227974404 697772495 /nfs/dbraw/zinc/77/24/95/697772495.db2.gz MFZNYSVKNYVOMW-NOZJJQNGSA-N 0 0 316.195 1.784 20 10 DDCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000773749618 697800123 /nfs/dbraw/zinc/80/01/23/697800123.db2.gz RNQOOTFTVKDNFL-SECBINFHSA-N 0 0 319.317 1.706 20 10 DDCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1nccn2ccnc12 ZINC000773767805 697802725 /nfs/dbraw/zinc/80/27/25/697802725.db2.gz PSUXJHZSJYGAGX-JTQLQIEISA-N 0 0 312.329 1.502 20 10 DDCDRN CCN(C)c1ccc(CN2CCN(CC[S@](C)=O)CC2)cc1 ZINC000773775255 697803415 /nfs/dbraw/zinc/80/34/15/697803415.db2.gz YBIYYUJDTQYDQT-QFIPXVFZSA-N 0 0 323.506 1.639 20 10 DDCDRN NCc1nc(C(=O)NCCCSc2nccs2)cs1 ZINC000237928246 697814132 /nfs/dbraw/zinc/81/41/32/697814132.db2.gz QLCGFVMUDSRSTH-UHFFFAOYSA-N 0 0 314.461 1.971 20 10 DDCDRN C[C@H](NC(=O)C(=O)NC[C@H]1CCCO1)c1ccc(N(C)C)cc1 ZINC000774464855 697883007 /nfs/dbraw/zinc/88/30/07/697883007.db2.gz NFHXDMKSIBIILN-SWLSCSKDSA-N 0 0 319.405 1.225 20 10 DDCDRN Cc1cc(N2CCC[C@H](NC(=O)C3=CC(=O)CS3)C2)n(C)n1 ZINC000774489061 697885610 /nfs/dbraw/zinc/88/56/10/697885610.db2.gz ULDXFFWDZWNDIN-NSHDSACASA-N 0 0 320.418 1.894 20 10 DDCDRN CCN(Cc1cn(C)nn1)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000775054287 697958182 /nfs/dbraw/zinc/95/81/82/697958182.db2.gz NCQUIRVDWNQEPF-UHFFFAOYSA-N 0 0 321.337 1.460 20 10 DDCDRN COc1c([O-])c(C[NH2+][C@@H](CO)CC(F)F)ccc1[N+](=O)[O-] ZINC000775118258 697964327 /nfs/dbraw/zinc/96/43/27/697964327.db2.gz MDWFLRCBSKVARG-MRVPVSSYSA-N 0 0 306.265 1.415 20 10 DDCDRN C[C@H](NC(=O)[C@@H]1CCCN1C(N)=O)c1ccc(N(C)C)cc1 ZINC000775402799 697993248 /nfs/dbraw/zinc/99/32/48/697993248.db2.gz COZABXNVKLHOSD-FZMZJTMJSA-N 0 0 304.394 1.473 20 10 DDCDRN CS(=O)(=O)c1cccc(NC(=O)c2cccc(O)c2O)c1 ZINC000776325165 698095895 /nfs/dbraw/zinc/09/58/95/698095895.db2.gz IWSVDQCWEGXNRS-UHFFFAOYSA-N 0 0 307.327 1.754 20 10 DDCDRN Cc1ccc(C(=O)N(C)[C@@H](C)C(=O)NC(C)(C)C)c(O)c1O ZINC000777397250 698186093 /nfs/dbraw/zinc/18/60/93/698186093.db2.gz HCMUBDBHFDRKRK-JTQLQIEISA-N 0 0 308.378 1.781 20 10 DDCDRN COc1ccc(O)c(CNS(=O)(=O)N(C)CC(C)C)c1 ZINC000778004977 698236841 /nfs/dbraw/zinc/23/68/41/698236841.db2.gz IRJPIFQXGOFTHP-UHFFFAOYSA-N 0 0 302.396 1.323 20 10 DDCDRN Cc1cc(C(=O)N[C@@H]2CNC(=O)C2)c(C)n1-c1ccc(F)cc1 ZINC000779442914 698423551 /nfs/dbraw/zinc/42/35/51/698423551.db2.gz CWZACCOKVFLOIN-ZDUSSCGKSA-N 0 0 315.348 1.852 20 10 DDCDRN COC(=O)[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C(C)(C)C ZINC000779485445 698426899 /nfs/dbraw/zinc/42/68/99/698426899.db2.gz QXTPIDZTIDSXDC-QPBFKRLHSA-N 0 0 307.346 1.815 20 10 DDCDRN COC(=O)[C@](C)(NC(=O)/C=C/c1ccc(O)c(O)c1)C1CC1 ZINC000779518137 698429916 /nfs/dbraw/zinc/42/99/16/698429916.db2.gz IMSKLUYAOYSXGS-KZJSRBBCSA-N 0 0 305.330 1.569 20 10 DDCDRN CCn1cc(CN(C)C(=O)/C=C\c2ccc(O)c(O)c2)cn1 ZINC000779520006 698429948 /nfs/dbraw/zinc/42/99/48/698429948.db2.gz GUKRXRYWTZJHKZ-ALCCZGGFSA-N 0 0 301.346 1.986 20 10 DDCDRN C[C@H](CCS(C)(=O)=O)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779527351 698431023 /nfs/dbraw/zinc/43/10/23/698431023.db2.gz AQKPCQSIVYILMP-DFVUYQKZSA-N 0 0 313.375 1.050 20 10 DDCDRN Cn1c(CNC(=O)/C=C\c2ccc(O)c(O)c2)nnc1C1CC1 ZINC000779544725 698433285 /nfs/dbraw/zinc/43/32/85/698433285.db2.gz NDNMZDRSAZSBLY-CLTKARDFSA-N 0 0 314.345 1.433 20 10 DDCDRN CCOC[C@H](C(=O)OC)N(C)C(=O)c1ccc(C)c(O)c1O ZINC000780968479 698578089 /nfs/dbraw/zinc/57/80/89/698578089.db2.gz JBXMKESFXAFIEA-LLVKDONJSA-N 0 0 311.334 1.056 20 10 DDCDRN CCS(=O)(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000304256195 698616538 /nfs/dbraw/zinc/61/65/38/698616538.db2.gz DJFHSZCWGBENBK-UHFFFAOYSA-N 0 0 312.435 1.335 20 10 DDCDRN CN(C)c1ccc(CNC(=O)NC2(CO)CCCC2)cc1F ZINC000305108275 698634138 /nfs/dbraw/zinc/63/41/38/698634138.db2.gz ZYGFGXJSXYRYMC-UHFFFAOYSA-N 0 0 309.385 1.996 20 10 DDCDRN COCC[C@@H](C)S(=O)(=O)NCc1ccc(N(C)C)cc1 ZINC000782139520 698688395 /nfs/dbraw/zinc/68/83/95/698688395.db2.gz JCLUBXFUCYHHBG-GFCCVEGCSA-N 0 0 300.424 1.597 20 10 DDCDRN Cn1cc(CNC(=O)NCc2ccc(N3CC=CC3)cc2)nn1 ZINC000783004888 698797276 /nfs/dbraw/zinc/79/72/76/698797276.db2.gz RQTOTBHWSHYNBB-UHFFFAOYSA-N 0 0 312.377 1.191 20 10 DDCDRN Cc1c[nH]cc(C(=O)OCC(=O)c2ccc(O)c(O)c2)c1=O ZINC000784620705 699031473 /nfs/dbraw/zinc/03/14/73/699031473.db2.gz YAPNBRMEUJSCGA-UHFFFAOYSA-N 0 0 303.270 1.134 20 10 DDCDRN NC(=O)[C@H]1CCC[C@@H](C(=O)OCC(=O)c2ccc(O)c(O)c2)C1 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323.389 1.849 20 10 DDCDRN CS(=O)(=O)CCCCNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000819609532 704150628 /nfs/dbraw/zinc/15/06/28/704150628.db2.gz NLUXHXWMBGYVEW-FNORWQNLSA-N 0 0 313.375 1.052 20 10 DDCDRN CCC(=O)N1CSC[C@@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000871203410 704242908 /nfs/dbraw/zinc/24/29/08/704242908.db2.gz ZZMQOTRUUOIWPK-GFCCVEGCSA-N 0 0 306.387 1.546 20 10 DDCDRN Cc1nnc(COCC(=O)N2Cc3cccc(O)c3C2)s1 ZINC000871205679 704243210 /nfs/dbraw/zinc/24/32/10/704243210.db2.gz WZXUYGBMXHCPQB-UHFFFAOYSA-N 0 0 305.359 1.611 20 10 DDCDRN COCn1ccc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)n1 ZINC000831923919 706803629 /nfs/dbraw/zinc/80/36/29/706803629.db2.gz AAHMXNXSJAGDEC-JTQLQIEISA-N 0 0 305.334 1.259 20 10 DDCDRN Cn1ncnc1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000853797869 704316722 /nfs/dbraw/zinc/31/67/22/704316722.db2.gz GOPAHUPXGVQVPH-UHFFFAOYSA-N 0 0 317.418 1.298 20 10 DDCDRN C[C@H](NC(=O)N1CCC(O)(CO)CC1)c1ccc(N(C)C)cc1 ZINC000854004513 704346444 /nfs/dbraw/zinc/34/64/44/704346444.db2.gz 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/nfs/dbraw/zinc/26/56/33/705265633.db2.gz AHBLWKZSZGDIMY-UHFFFAOYSA-N 0 0 321.421 1.172 20 10 DDCDRN COC[C@@H](OC)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000823834609 705326037 /nfs/dbraw/zinc/32/60/37/705326037.db2.gz KJHGBFCBTVPVOR-XJKSGUPXSA-N 0 0 322.405 1.362 20 10 DDCDRN CCS(=O)(=O)C[C@H](C)NC(=O)N1Cc2cccc(O)c2C1 ZINC000875284358 705339944 /nfs/dbraw/zinc/33/99/44/705339944.db2.gz GKLWNJAPRCKFFU-JTQLQIEISA-N 0 0 312.391 1.241 20 10 DDCDRN COc1ccc(N(C)CCN(C)C(=O)c2coc(CO)c2)cc1 ZINC000824209018 705399941 /nfs/dbraw/zinc/39/99/41/705399941.db2.gz VYZJAMQHGLSCKN-UHFFFAOYSA-N 0 0 318.373 1.989 20 10 DDCDRN CCO[C@@H]1C[C@@H](NC(=O)N2Cc3cccc(O)c3C2)[C@@H]1OC ZINC000875510665 705414069 /nfs/dbraw/zinc/41/40/69/705414069.db2.gz WEIWFVHVQZIWFX-YUELXQCFSA-N 0 0 306.362 1.610 20 10 DDCDRN CC(C)(C)N1CC[C@H](NC(=O)N2Cc3cccc(O)c3C2)C1=O ZINC000875685888 705476803 /nfs/dbraw/zinc/47/68/03/705476803.db2.gz KMVWNDMAYRESJM-ZDUSSCGKSA-N 0 0 317.389 1.817 20 10 DDCDRN CC[C@H](O)CNC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000824681423 705505006 /nfs/dbraw/zinc/50/50/06/705505006.db2.gz KCQDXBNITSTSRD-ZFWWWQNUSA-N 0 0 321.421 1.592 20 10 DDCDRN COc1cc(O)c(CN(CC(F)F)C[C@@H](C)O)cc1OC ZINC000825098952 705599571 /nfs/dbraw/zinc/59/95/71/705599571.db2.gz QVFRZOOCQNXSOR-SECBINFHSA-N 0 0 305.321 1.857 20 10 DDCDRN COC(=O)C1CC(NC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000876128469 705631310 /nfs/dbraw/zinc/63/13/10/705631310.db2.gz NMTCXWSRYHGXKI-UHFFFAOYSA-N 0 0 312.753 1.796 20 10 DDCDRN O=C(NCc1ccc2cccnc2c1O)[C@H]1CCCc2nn[nH]c21 ZINC000862026329 705636710 /nfs/dbraw/zinc/63/67/10/705636710.db2.gz KKEICBSMUICOEE-LBPRGKRZSA-N 0 0 323.356 1.795 20 10 DDCDRN CCC(=O)N[C@H](C)C(=O)NCc1ccc2cccnc2c1O ZINC000862029338 705637920 /nfs/dbraw/zinc/63/79/20/705637920.db2.gz VSPJWLQBOWOOBW-SNVBAGLBSA-N 0 0 301.346 1.471 20 10 DDCDRN O=CN1CCCN(Cc2c(O)cccc2Br)CC1 ZINC000862419223 705714273 /nfs/dbraw/zinc/71/42/73/705714273.db2.gz WOVDJKKOEDQREO-UHFFFAOYSA-N 0 0 313.195 1.819 20 10 DDCDRN CCn1nnc(C)c1C(=O)NCc1ccc(N(C)C)cc1C ZINC000825873749 705739270 /nfs/dbraw/zinc/73/92/70/705739270.db2.gz OASUXVXNNGZZRY-UHFFFAOYSA-N 0 0 301.394 1.911 20 10 DDCDRN CN(C)c1ccc(CNC(=O)N(C)[C@H]2C[C@@H](C(N)=O)C2)cc1 ZINC000863509946 705945842 /nfs/dbraw/zinc/94/58/42/705945842.db2.gz HNOOAJKVGDMEOO-XBXGTLAGSA-N 0 0 304.394 1.158 20 10 DDCDRN CCN(CC)c1ccc(CNCc2nc(C[NH3+])cc(=O)[nH]2)cc1 ZINC000863649494 705976490 /nfs/dbraw/zinc/97/64/90/705976490.db2.gz ZVENJDIHJHHIHN-UHFFFAOYSA-N 0 0 315.421 1.777 20 10 DDCDRN O=CN1CCCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000827878037 706080827 /nfs/dbraw/zinc/08/08/27/706080827.db2.gz YMEQLBHKRWKOSM-UHFFFAOYSA-N 0 0 321.396 1.326 20 10 DDCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cnc2n1CCOC2 ZINC000827955298 706093337 /nfs/dbraw/zinc/09/33/37/706093337.db2.gz DCVZQHDGBKPUQB-UHFFFAOYSA-N 0 0 314.389 1.718 20 10 DDCDRN C[C@@H](NC(=O)c1cn(C[C@H]2CCOC2)nn1)c1ccccc1O ZINC000827956240 706093372 /nfs/dbraw/zinc/09/33/72/706093372.db2.gz INUIZAZECIGCHH-VXGBXAGGSA-N 0 0 316.361 1.511 20 10 DDCDRN Cc1nnc2n1C[C@H](C(=O)N[C@@H](C)c1ccccc1O)CC2 ZINC000827973500 706096962 /nfs/dbraw/zinc/09/69/62/706096962.db2.gz RRMUBZKGXKJETN-CMPLNLGQSA-N 0 0 300.362 1.732 20 10 DDCDRN C[C@H](NC(=O)CN1CCCCC(=O)C1=O)c1ccccc1O ZINC000827987026 706099484 /nfs/dbraw/zinc/09/94/84/706099484.db2.gz XDNHXSCIPWJAJS-NSHDSACASA-N 0 0 304.346 1.151 20 10 DDCDRN CCOCCOC[C@H](O)C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877475964 706117282 /nfs/dbraw/zinc/11/72/82/706117282.db2.gz ZEOLZGLEBKOBLF-LLVKDONJSA-N 0 0 305.321 1.174 20 10 DDCDRN COC(=O)c1n[nH]c2c1CN(Cc1ccc(C)cc1O)CC2 ZINC000877570175 706145580 /nfs/dbraw/zinc/14/55/80/706145580.db2.gz IQHZZBPNUYTJSQ-UHFFFAOYSA-N 0 0 301.346 1.769 20 10 DDCDRN Cc1cccc(O)c1CN1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000877605566 706157049 /nfs/dbraw/zinc/15/70/49/706157049.db2.gz FCCREXINQYTYLK-HNNXBMFYSA-N 0 0 311.403 1.090 20 10 DDCDRN C[C@@]12C[NH+](Cc3cc(Cl)ccc3O)C[C@@]1(C)C(=O)NC2=O ZINC000877668261 706174936 /nfs/dbraw/zinc/17/49/36/706174936.db2.gz ININVDYGPZFNEX-GJZGRUSLSA-N 0 0 308.765 1.530 20 10 DDCDRN Oc1cccc2c1CN(Cc1cn(C[C@H]3CCCO3)nn1)C2 ZINC000877702562 706182219 /nfs/dbraw/zinc/18/22/19/706182219.db2.gz BMWGIUOUMREANO-CQSZACIVSA-N 0 0 300.362 1.679 20 10 DDCDRN O=S1(=O)C[C@@H]2CCN(Cc3c(O)cccc3Cl)C[C@@H]2C1 ZINC000877793250 706217243 /nfs/dbraw/zinc/21/72/43/706217243.db2.gz NGFBLKGQXSSELZ-WDEREUQCSA-N 0 0 315.822 1.912 20 10 DDCDRN COc1cccc(O)c1CN1CC[C@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000877794600 706217693 /nfs/dbraw/zinc/21/76/93/706217693.db2.gz XABHWAQVPXMAPL-RYUDHWBXSA-N 0 0 311.403 1.267 20 10 DDCDRN COC(=O)/C=C/c1ccc(N2CC(=O)N[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000829001787 706271120 /nfs/dbraw/zinc/27/11/20/706271120.db2.gz ZUUPCWSSKZLEBE-RWCYGVJQSA-N 0 0 319.317 1.106 20 10 DDCDRN COc1ccc(N2CCN(C(=O)[C@H]3CC(C)=NO3)CC2)cc1F ZINC000829869411 706410691 /nfs/dbraw/zinc/41/06/91/706410691.db2.gz PMPZAXHRXWRNBE-OAHLLOKOSA-N 0 0 321.352 1.648 20 10 DDCDRN COc1ccc(N2CC[C@H](CNc3nc(C)nc(N)n3)C2)cc1 ZINC000865888423 706553465 /nfs/dbraw/zinc/55/34/65/706553465.db2.gz NTMRGGLMKOSCTI-GFCCVEGCSA-N 0 0 314.393 1.709 20 10 DDCDRN COc1ccc(N2CCN(C(=O)c3nc(C)no3)CC2)cc1F ZINC000865952894 706575452 /nfs/dbraw/zinc/57/54/52/706575452.db2.gz ZWZXUXQIPZZQAV-UHFFFAOYSA-N 0 0 320.324 1.488 20 10 DDCDRN CCCCNC(=O)[C@H](C)n1cc(COc2ccc(N)cc2)nn1 ZINC000881148463 707137249 /nfs/dbraw/zinc/13/72/49/707137249.db2.gz ZJVSFRLCLJIANB-LBPRGKRZSA-N 0 0 317.393 1.917 20 10 DDCDRN C[C@@H]([NH2+]C[C@H]1CCCN1CCCO)c1cc([N+](=O)[O-])ccc1[O-] ZINC000834850409 707138774 /nfs/dbraw/zinc/13/87/74/707138774.db2.gz LYXIMARCOFWNCH-TZMCWYRMSA-N 0 0 323.393 1.798 20 10 DDCDRN C[C@@H]([NH2+][C@@H]1COC[C@H]1O)c1cc(Br)c(F)cc1[O-] ZINC000834897793 707146221 /nfs/dbraw/zinc/14/62/21/707146221.db2.gz VSXFCQODWZHEBM-KXHDPYLZSA-N 0 0 320.158 1.704 20 10 DDCDRN C[C@H]([NH2+]CCN1CCC(O)CC1)c1cc(F)cc(F)c1[O-] ZINC000834902302 707146834 /nfs/dbraw/zinc/14/68/34/707146834.db2.gz DGJXVDMLLMYEJZ-JTQLQIEISA-N 0 0 300.349 1.778 20 10 DDCDRN CN(C)c1ccc(/C=C/CN2CCN3C(=O)OC[C@H]3C2)cc1 ZINC000835025175 707157989 /nfs/dbraw/zinc/15/79/89/707157989.db2.gz GLSHKKNZMRMHNV-QDLOVBKTSA-N 0 0 301.390 1.902 20 10 DDCDRN O=C(c1c(F)ccc(O)c1O)N1CCO[C@@H](C(F)F)CC1 ZINC000872266716 707356052 /nfs/dbraw/zinc/35/60/52/707356052.db2.gz CJRIWSLXVLZCIS-SECBINFHSA-N 0 0 305.252 1.733 20 10 DDCDRN CCO[C@@H]1COC[C@H]1NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000836406124 707455690 /nfs/dbraw/zinc/45/56/90/707455690.db2.gz QVYOYRQYNHLWCB-DAXOMENPSA-N 0 0 321.421 1.917 20 10 DDCDRN CN(C)c1ccc(CN(C)CN2CC3(COC3)CC2=O)cc1 ZINC000872554027 707475638 /nfs/dbraw/zinc/47/56/38/707475638.db2.gz GMVDKBYKWNOCDM-UHFFFAOYSA-N 0 0 303.406 1.391 20 10 DDCDRN COC[C@@](C)(O)CCNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000836532811 707477470 /nfs/dbraw/zinc/47/74/70/707477470.db2.gz WFTLSKNSQYYVBA-KRWDZBQOSA-N 0 0 323.437 1.682 20 10 DDCDRN CCN(C)c1ccc(Cn2nnc(CCC(=O)OC)n2)cc1 ZINC000882211942 707540312 /nfs/dbraw/zinc/54/03/12/707540312.db2.gz ADPFYPRLINMQRC-UHFFFAOYSA-N 0 0 303.366 1.283 20 10 DDCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)Nc1nccnc1C(N)=O ZINC000882469328 707645119 /nfs/dbraw/zinc/64/51/19/707645119.db2.gz SIQGJKBVEVYYBH-GFCCVEGCSA-N 0 0 313.405 1.993 20 10 DDCDRN CC(=O)C(=O)COC(=O)[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000873480364 707868881 /nfs/dbraw/zinc/86/88/81/707868881.db2.gz JDSCASQZWJEYQY-LLVKDONJSA-N 0 0 304.220 1.440 20 10 DDCDRN CO[C@H]1COCC[C@@H]1N(C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000883077686 707919618 /nfs/dbraw/zinc/91/96/18/707919618.db2.gz SBCOLPIEDNXZSY-HOTGVXAUSA-N 0 0 321.421 1.698 20 10 DDCDRN COc1ccc(O)c(CNC(=O)N[C@@H](C)Cc2cnn(C)c2)c1 ZINC000838474246 707928283 /nfs/dbraw/zinc/92/82/83/707928283.db2.gz HRYUXHPAAXLKNF-NSHDSACASA-N 0 0 318.377 1.565 20 10 DDCDRN CC(C)C[C@@H](C(N)=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000839467859 708050028 /nfs/dbraw/zinc/05/00/28/708050028.db2.gz LGFJZGVGCWJHJE-HNNXBMFYSA-N 0 0 305.422 1.859 20 10 DDCDRN C[C@H](NC(=O)N[C@H]1C[C@H](S(C)(=O)=O)C1)c1ccccc1O ZINC000883921676 708082790 /nfs/dbraw/zinc/08/27/90/708082790.db2.gz OVQZLOARNHCYKJ-DCAQKATOSA-N 0 0 312.391 1.328 20 10 DDCDRN CCn1cc(CN2CCN(c3ccc(OC)cc3)CC2)nn1 ZINC000883996142 708096571 /nfs/dbraw/zinc/09/65/71/708096571.db2.gz LVKVHOBMJZEUBT-UHFFFAOYSA-N 0 0 301.394 1.629 20 10 DDCDRN C[C@@H]1C[N@H+](Cc2cc(F)cc(F)c2[O-])C[C@H]1CS(N)(=O)=O ZINC000897605426 708390619 /nfs/dbraw/zinc/39/06/19/708390619.db2.gz COFWBYCHBZJNGV-SCZZXKLOSA-N 0 0 320.361 1.027 20 10 DDCDRN C[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2[O-])C[C@H]1CS(N)(=O)=O ZINC000897608395 708391926 /nfs/dbraw/zinc/39/19/26/708391926.db2.gz ZUABBUYKPNTYSB-SCZZXKLOSA-N 0 0 320.361 1.027 20 10 DDCDRN C[C@H]([NH2+]CC1(OCCO)CCOCC1)c1c([O-])cccc1F ZINC000886606938 708792610 /nfs/dbraw/zinc/79/26/10/708792610.db2.gz ISXKUGZMOJMIQC-LBPRGKRZSA-N 0 0 313.369 1.740 20 10 DDCDRN Cc1ccc(C(=O)NCc2nc(CN(C)C)cs2)c(O)c1O ZINC000927770011 713052104 /nfs/dbraw/zinc/05/21/04/713052104.db2.gz XZCSOUHDRITYGC-UHFFFAOYSA-N 0 0 321.402 1.854 20 10 DDCDRN 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HMRIGKGIPINCBT-UHFFFAOYSA-N 0 0 300.742 1.798 20 10 DDCDRN CCC[C@H]1C(=O)NCCN1Cc1ccc(OC)c(OC)c1O ZINC000892142924 710379456 /nfs/dbraw/zinc/37/94/56/710379456.db2.gz HBMFUTIXPIVDKX-LBPRGKRZSA-N 0 0 308.378 1.510 20 10 DDCDRN O=C([O-])CN(Cc1ccccc1O)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC000911483767 710815785 /nfs/dbraw/zinc/81/57/85/710815785.db2.gz DINDIGYIJLXBLU-KRWDZBQOSA-N 0 0 318.373 1.291 20 10 DDCDRN CC[C@H](O)[C@@H](C)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000912293506 711264007 /nfs/dbraw/zinc/26/40/07/711264007.db2.gz YRVOUVSNIKKXOM-IOASZLSFSA-N 0 0 306.406 1.797 20 10 DDCDRN C[C@H](NCc1cc(F)c(N(C)C)cc1F)C1N=NC(=O)N1C ZINC000895170518 711441025 /nfs/dbraw/zinc/44/10/25/711441025.db2.gz FDQQUWCXFIFXQO-QMMMGPOBSA-N 0 0 311.336 1.716 20 10 DDCDRN CNC(=O)CN(C)Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000895352050 711492173 /nfs/dbraw/zinc/49/21/73/711492173.db2.gz NIORZIQDSHDQRS-UHFFFAOYSA-N 0 0 321.352 1.282 20 10 DDCDRN CN(C)c1ccc(/C=C\CN2CC(C3CS(=O)(=O)C3)C2)cc1 ZINC000895423675 711508948 /nfs/dbraw/zinc/50/89/48/711508948.db2.gz BACDAUDIFYYIRF-ARJAWSKDSA-N 0 0 320.458 1.742 20 10 DDCDRN O=C(NC[C@@H]1COCCO1)c1cc2cc(O)c(O)cc2s1 ZINC000895804220 711610668 /nfs/dbraw/zinc/61/06/68/711610668.db2.gz JNBBGHKQPVMUSL-SECBINFHSA-N 0 0 309.343 1.458 20 10 DDCDRN COC(=O)[C@@H](C[C@H]1CCCO1)NCc1cc(OC)ccc1O ZINC000895864193 711629199 /nfs/dbraw/zinc/62/91/99/711629199.db2.gz PCFMDGLZGAMXOX-ZIAGYGMSSA-N 0 0 309.362 1.601 20 10 DDCDRN CCOc1ccc(N(C)Cc2cn(Cc3ncon3)nn2)cc1 ZINC000906268316 712277830 /nfs/dbraw/zinc/27/78/30/712277830.db2.gz AHSFZCJOGQMHMM-UHFFFAOYSA-N 0 0 314.349 1.745 20 10 DDCDRN CN(Cc1ccc(N2CCOCC2)cc1)c1ccc2nncn2n1 ZINC000914570725 713397502 /nfs/dbraw/zinc/39/75/02/713397502.db2.gz KTSLAVYOKLVPDA-UHFFFAOYSA-N 0 0 324.388 1.597 20 10 DDCDRN Cc1cc(C)n(CC(=O)NCc2c(O)cccc2F)c(=O)n1 ZINC000928708555 713469420 /nfs/dbraw/zinc/46/94/20/713469420.db2.gz OWBVYSGVGSWPPR-UHFFFAOYSA-N 0 0 305.309 1.021 20 10 DDCDRN CN(C)c1ccc(CNC(=O)Cn2ccnc2[N+](=O)[O-])cc1 ZINC000918343243 713538558 /nfs/dbraw/zinc/53/85/58/713538558.db2.gz NKLWOPMTWUVQCY-UHFFFAOYSA-N 0 0 303.322 1.174 20 10 DDCDRN C[C@H](C1CC1)N(C)S(=O)(=O)NCc1c(O)cccc1F ZINC000921452237 713775229 /nfs/dbraw/zinc/77/52/29/713775229.db2.gz INVWYWDXIMMUPK-SECBINFHSA-N 0 0 302.371 1.596 20 10 DDCDRN CCn1cc(CC(=O)NCc2ccc(N(C)C)c(F)c2)nn1 ZINC000931146581 714016121 /nfs/dbraw/zinc/01/61/21/714016121.db2.gz GXJOMVAZDMROTP-UHFFFAOYSA-N 0 0 305.357 1.362 20 10 DDCDRN CC[C@@H](CN1CCOCC1)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000922588837 714094902 /nfs/dbraw/zinc/09/49/02/714094902.db2.gz COZGLXDPEZQHKJ-ZDUSSCGKSA-N 0 0 309.366 1.501 20 10 DDCDRN O=C1C[C@@H](CC[NH2+]Cc2cccc(Br)c2[O-])CN1 ZINC000922780416 714145620 /nfs/dbraw/zinc/14/56/20/714145620.db2.gz ATBUWBYWIUASRU-SECBINFHSA-N 0 0 313.195 1.771 20 10 DDCDRN C[C@H]1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CCO1 ZINC000932349525 714316421 /nfs/dbraw/zinc/31/64/21/714316421.db2.gz GJLMKJKJXVZOKN-HNNXBMFYSA-N 0 0 319.449 1.822 20 10 DDCDRN CN(Cc1ccccc1O)C(=O)NCC[C@H]1CC(=O)N(C)C1 ZINC000924730314 714650771 /nfs/dbraw/zinc/65/07/71/714650771.db2.gz FAPMPRDHUSIABL-LBPRGKRZSA-N 0 0 305.378 1.402 20 10 DDCDRN Cc1occc(=O)c1OCC(=O)N(C)Cc1ccccc1O ZINC000934705705 714884162 /nfs/dbraw/zinc/88/41/62/714884162.db2.gz WIFXRBINFQKKTM-UHFFFAOYSA-N 0 0 303.314 1.691 20 10 DDCDRN CCCCS(=O)(=O)CC(=O)NCc1cc(OC)ccc1O ZINC000934940811 714934328 /nfs/dbraw/zinc/93/43/28/714934328.db2.gz AWPQYJKEITXQGM-UHFFFAOYSA-N 0 0 315.391 1.232 20 10 DDCDRN CCN1CCC[C@H](NC(=O)NCc2cccc(OC)c2O)C1=O ZINC000925971427 714977820 /nfs/dbraw/zinc/97/78/20/714977820.db2.gz YTZZGVCNLHMNLT-LBPRGKRZSA-N 0 0 321.377 1.211 20 10 DDCDRN CCN1CCC[C@H](NC(=O)N[C@H](C)c2ccccc2O)C1=O ZINC000925984302 714981428 /nfs/dbraw/zinc/98/14/28/714981428.db2.gz ICXROTSXGJCLPT-YPMHNXCESA-N 0 0 305.378 1.763 20 10 DDCDRN O=C(NCc1c(O)cccc1F)NC[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000926637160 715103120 /nfs/dbraw/zinc/10/31/20/715103120.db2.gz CPRKBNMGCRDWGD-TUAOUCFPSA-N 0 0 306.337 1.922 20 10 DDCDRN CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000936129023 715151911 /nfs/dbraw/zinc/15/19/11/715151911.db2.gz VNZDUYQXSAFTCO-STQMWFEESA-N 0 0 315.333 1.294 20 10 DDCDRN Cc1ccc(O)c(CNC(=O)c2c(C)[nH]c(=O)[nH]c2=S)c1 ZINC001167293968 732973232 /nfs/dbraw/zinc/97/32/32/732973232.db2.gz WQXXKLBBOYYYHF-UHFFFAOYSA-N 0 0 305.359 1.723 20 10 DDCDRN O=S1(=O)CCN(Cc2cc3c4c(c2)CCCN4CCC3)CC1 ZINC001141075220 737257792 /nfs/dbraw/zinc/25/77/92/737257792.db2.gz JKFQFCJWLCYISE-UHFFFAOYSA-N 0 0 320.458 1.616 20 10 DDCDRN O=C1COC2(CC[NH+](Cc3cc(F)c(F)cc3[O-])CC2)CN1 ZINC001142527546 742145663 /nfs/dbraw/zinc/14/56/63/742145663.db2.gz YPULMSQSFZGGKG-UHFFFAOYSA-N 0 0 312.316 1.151 20 10 DDCDRN COc1cc(C(=O)N[C@@H](C)CCNC(=O)C(C)C)cc(OC)n1 ZINC001075652450 739693092 /nfs/dbraw/zinc/69/30/92/739693092.db2.gz PMKBYLRJXATVHG-NSHDSACASA-N 0 0 323.393 1.379 20 10 DDCDRN O=c1ocnc2ccc(NCCc3cc(O)c(O)cc3O)cc21 ZINC001168005608 740535085 /nfs/dbraw/zinc/53/50/85/740535085.db2.gz KWYXBLVJDKIUNM-UHFFFAOYSA-N 0 0 314.297 1.959 20 10 DDCDRN Cc1cc(C)c(CNC(=O)Cn2nc(Cl)ccc2=O)c(O)c1 ZINC001181896203 743381668 /nfs/dbraw/zinc/38/16/68/743381668.db2.gz LQYVGWVUAOCLKP-UHFFFAOYSA-N 0 0 321.764 1.536 20 10 DDCDRN CS(=O)(=O)C[C@H]1CCCN(Cc2cc(F)c(F)cc2O)C1 ZINC001182072195 743469696 /nfs/dbraw/zinc/46/96/96/743469696.db2.gz MPNHSZIMZABCNN-JTQLQIEISA-N 0 0 319.373 1.927 20 10 DDCDRN CC(=O)N1CSC[C@H]1C(=O)NCc1c(C)cc(C)cc1O ZINC001183141374 743784105 /nfs/dbraw/zinc/78/41/05/743784105.db2.gz ISVDULFHWBJTDS-ZDUSSCGKSA-N 0 0 308.403 1.547 20 10 DDCDRN O=C(CNC(=O)[C@@H]1CCCC[C@@H]1CO)c1ccc(O)c(O)c1 ZINC001184174587 743980510 /nfs/dbraw/zinc/98/05/10/743980510.db2.gz XHCKJQIAOCPNQQ-VXGBXAGGSA-N 0 0 307.346 1.195 20 10 DDCDRN C[C@@H](C(=O)NCC(=O)c1ccc(O)c(O)c1)c1ccc(O)cc1 ZINC001184284310 744015679 /nfs/dbraw/zinc/01/56/79/744015679.db2.gz KTASRGFMPCXHAP-SNVBAGLBSA-N 0 0 315.325 1.906 20 10 DDCDRN Cc1cccc(CNS(=O)(=O)c2cnc(Cl)nc2)c1O ZINC001185069065 744155319 /nfs/dbraw/zinc/15/53/19/744155319.db2.gz JTTFZYJIDOLCNU-UHFFFAOYSA-N 0 0 313.766 1.623 20 10 DDCDRN Cc1noc(C)c1NC(=O)NCCc1cc(O)c(O)cc1O ZINC001185200836 744179139 /nfs/dbraw/zinc/17/91/39/744179139.db2.gz QZBKFGJAONNIEF-UHFFFAOYSA-N 0 0 307.306 1.772 20 10 DDCDRN COc1cc(C(=O)N2CCC(=O)C(F)(F)C2)cc(O)c1O ZINC001193098972 745977533 /nfs/dbraw/zinc/97/75/33/745977533.db2.gz YLFRNKBHGBHGMG-UHFFFAOYSA-N 0 0 301.245 1.157 20 10 DDCDRN COc1cc(C(=O)NC2(c3ncccn3)CC2)cc(O)c1O ZINC001193120540 745984362 /nfs/dbraw/zinc/98/43/62/745984362.db2.gz ZYCVIPMEVAQFJJ-UHFFFAOYSA-N 0 0 301.302 1.316 20 10 DDCDRN CC(=O)N1C[C@@H]2C[C@]2(NC(=O)c2ccc(O)c(O)c2Cl)C1 ZINC001193237125 746026642 /nfs/dbraw/zinc/02/66/42/746026642.db2.gz WWXUZOGZRLJDTJ-RTHLEPHNSA-N 0 0 310.737 1.102 20 10 DDCDRN O=C(NCCN1CCC(F)(F)C1)c1ccc(O)c(O)c1Cl ZINC001193247019 746028643 /nfs/dbraw/zinc/02/86/43/746028643.db2.gz IBXRBNANUHNFKA-UHFFFAOYSA-N 0 0 320.723 1.822 20 10 DDCDRN CCN(Cc1ccccc1O)S(=O)(=O)c1cnc(C)n1C ZINC001198382533 747471996 /nfs/dbraw/zinc/47/19/96/747471996.db2.gz XEDGBLDMTAXNDW-UHFFFAOYSA-N 0 0 309.391 1.645 20 10 DDCDRN COCCOc1ccnc(C(=O)NCc2ccccc2O)n1 ZINC001199192722 747734799 /nfs/dbraw/zinc/73/47/99/747734799.db2.gz JLLJDOJDEZLFRO-UHFFFAOYSA-N 0 0 303.318 1.137 20 10 DDCDRN Cc1nccc(N2CC=C(CCNC(=O)[C@H]3CCCO3)CC2)n1 ZINC001089799991 747876619 /nfs/dbraw/zinc/87/66/19/747876619.db2.gz RHVUICVNOJZJJV-OAHLLOKOSA-N 0 0 316.405 1.607 20 10 DDCDRN CC(=O)NCCC1=CCN(c2ncc([N+](=O)[O-])cc2C)CC1 ZINC001089802860 747882048 /nfs/dbraw/zinc/88/20/48/747882048.db2.gz ZWGDAZNLPUJVIL-UHFFFAOYSA-N 0 0 304.350 1.961 20 10 DDCDRN CO[C@@H](C)CC(=O)NCCC1=CCN(c2cc(F)ncn2)CC1 ZINC001089817582 747952446 /nfs/dbraw/zinc/95/24/46/747952446.db2.gz QOBXLFVWSXDSEY-LBPRGKRZSA-N 0 0 322.384 1.684 20 10 DDCDRN Cc1cc(N2CC=C(CCNC(=O)c3cccnn3)CC2)ncn1 ZINC001089837719 748031736 /nfs/dbraw/zinc/03/17/36/748031736.db2.gz DIJAQUROYKCTBC-UHFFFAOYSA-N 0 0 324.388 1.532 20 10 DDCDRN Cc1ccn(C)c(=O)c1NC(=O)NCc1c(O)cccc1F ZINC001202018035 748660981 /nfs/dbraw/zinc/66/09/81/748660981.db2.gz XCDRSKCTLMIJTO-UHFFFAOYSA-N 0 0 305.309 1.860 20 10 DDCDRN NC(=O)C[C@@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001137212112 749531177 /nfs/dbraw/zinc/53/11/77/749531177.db2.gz JECZBGHTJUNCLJ-JTQLQIEISA-N 0 0 317.349 1.577 20 10 DDCDRN NC(=O)c1nc(Cl)nc(NCc2ccc(O)c(O)c2)c1F ZINC001169990865 763535286 /nfs/dbraw/zinc/53/52/86/763535286.db2.gz SIUOAJOGRDNVMQ-UHFFFAOYSA-N 0 0 312.688 1.391 20 10 DDCDRN O=C(CN1C(=O)CSC1=S)NCc1cccc2cc[nH]c21 ZINC001144852528 772644510 /nfs/dbraw/zinc/64/45/10/772644510.db2.gz BPPHMEOAGVPAGV-UHFFFAOYSA-N 0 0 319.411 1.644 20 10 DDCDRN CC[C@@H](NC(=O)CN1C(=O)CSC1=S)C(F)(F)F ZINC001144852605 772644621 /nfs/dbraw/zinc/64/46/21/772644621.db2.gz GFFVMZQSSIHXLY-RXMQYKEDSA-N 0 0 300.327 1.304 20 10 DDCDRN Cc1nc(S(C)(=O)=O)ccc1NC(=O)c1cccc(O)c1O ZINC001148211981 773394546 /nfs/dbraw/zinc/39/45/46/773394546.db2.gz GFVQHOLUQMJIFQ-UHFFFAOYSA-N 0 0 322.342 1.457 20 10 DDCDRN COC(=O)[C@H](Cc1ccc(O)c(O)c1)NC1C[C@H]2CC[C@@H](C1)O2 ZINC001172216963 776706205 /nfs/dbraw/zinc/70/62/05/776706205.db2.gz UHWTXCPJHNOHFU-GSPSYOTPSA-N 0 0 321.373 1.482 20 10 DDCDRN COc1c(O)c(CN[C@H](C)c2ccn(C)n2)ccc1[N+](=O)[O-] ZINC001206232580 777602062 /nfs/dbraw/zinc/60/20/62/777602062.db2.gz LTAZIGAFKBOWMA-SECBINFHSA-N 0 0 306.322 1.893 20 10 DDCDRN CN(C1=CCCN(C)C1)S(=O)(=O)CCc1ccc(N)cc1 ZINC001175580388 777847249 /nfs/dbraw/zinc/84/72/49/777847249.db2.gz ZRZFUGMCHVKIBC-UHFFFAOYSA-N 0 0 309.435 1.292 20 10 DDCDRN O=C(NCc1cc(O)ccc1O)c1cccc(-n2ccnn2)c1 ZINC001176756170 778245392 /nfs/dbraw/zinc/24/53/92/778245392.db2.gz ZKKJVMAIUFHDPZ-UHFFFAOYSA-N 0 0 310.313 1.609 20 10 DDCDRN COC(=O)c1sccc1C(=O)NCc1c(O)cccc1O ZINC001178916929 779227600 /nfs/dbraw/zinc/22/76/00/779227600.db2.gz FCLPDIMCDLDVCP-UHFFFAOYSA-N 0 0 307.327 1.876 20 10 DDCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@](O)(CF)CC1 ZINC001179683487 779461947 /nfs/dbraw/zinc/46/19/47/779461947.db2.gz UGIZHJYTMZSKKA-LLCTXKFZSA-N 0 0 309.337 1.824 20 10 DDCDRN C[C@H]1CCN(C(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC001117131121 780670166 /nfs/dbraw/zinc/67/01/66/780670166.db2.gz HRERTKSOQYTTHP-NSHDSACASA-N 0 0 307.369 1.376 20 10 DDCDRN CCOc1ccc(N2CCN(C[C@H]3CN(C)C(=O)O3)CC2)cc1 ZINC001117746401 780894161 /nfs/dbraw/zinc/89/41/61/780894161.db2.gz VTEUHSSRKOHGGT-MRXNPFEDSA-N 0 0 319.405 1.658 20 10 DDCDRN Cn1cc(C=C2SC(=S)NC2=O)c(-c2ccncc2)n1 ZINC000209239178 780895224 /nfs/dbraw/zinc/89/52/24/780895224.db2.gz UVWZJFZTHXVOJN-UXBLZVDNSA-N 0 0 302.384 1.971 20 10 DDCDRN C[C@@H]1CC(C)(C)CN1C(=O)C(=O)N(C)Cc1ccccc1O ZINC001117951914 780960875 /nfs/dbraw/zinc/96/08/75/780960875.db2.gz RODJNFFCIZFXLP-GFCCVEGCSA-N 0 0 304.390 1.998 20 10 DDCDRN NC(=O)C1CCN(c2ccc(CNC(=O)C3(F)CC3)cc2)CC1 ZINC001119449679 781456418 /nfs/dbraw/zinc/45/64/18/781456418.db2.gz ZNUTVXMJBJWNTO-UHFFFAOYSA-N 0 0 319.380 1.507 20 10 DDCDRN COC[C@H](C)NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC001119541140 781502068 /nfs/dbraw/zinc/50/20/68/781502068.db2.gz INAXFQCBSQLMFA-NWDGAFQWSA-N 0 0 307.394 1.081 20 10 DDCDRN CN(C)c1ccc(CNC(=O)C[N@@H+]2C3CCC2(CO)CC3)cc1 ZINC001119922574 781682376 /nfs/dbraw/zinc/68/23/76/781682376.db2.gz SWPCWYBMSLRQHD-UHFFFAOYSA-N 0 0 317.433 1.358 20 10 DDCDRN CC[C@@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001142892116 861296767 /nfs/dbraw/zinc/29/67/67/861296767.db2.gz OLXGLYZNPRGANC-ZJUUUORDSA-N 0 0 319.365 1.882 20 10 DDCDRN Nc1cc(NCc2ccc(N3CCC(O)CC3)c(F)c2)ncn1 ZINC001326514722 861420362 /nfs/dbraw/zinc/42/03/62/861420362.db2.gz RNKDRMYBCLOZKY-UHFFFAOYSA-N 0 0 317.368 1.771 20 10 DDCDRN CS[C@H]1CCN(C(=O)C(=O)N(C)Cc2ccccc2O)C1 ZINC001326911235 861707299 /nfs/dbraw/zinc/70/72/99/861707299.db2.gz CFOMIFBGTOVBDO-LBPRGKRZSA-N 0 0 308.403 1.315 20 10 DDCDRN Cn1ccc(NC(=O)c2cc3cc(O)c(O)cc3oc2=O)n1 ZINC001155218592 861850688 /nfs/dbraw/zinc/85/06/88/861850688.db2.gz YOCPJQOZQPKIQF-UHFFFAOYSA-N 0 0 301.258 1.190 20 10 DDCDRN CC[C@H](C)[C@@H](CO)NC(=O)c1cc2cc(O)c(O)cc2oc1=O ZINC001155230872 861876318 /nfs/dbraw/zinc/87/63/18/861876318.db2.gz DWLAFICTWSCMQA-GZMMTYOYSA-N 0 0 321.329 1.341 20 10 DDCDRN CC[C@@H](C)N1CC2(CN(Cc3cc(F)ccc3O)C2)OCC1=O ZINC001273285370 849333653 /nfs/dbraw/zinc/33/36/53/849333653.db2.gz RLRKWTNAPRISBG-GFCCVEGCSA-N 0 0 322.380 1.743 20 10 DDCDRN COc1ccc(N2CCN(C(=O)Cc3[nH]cnc3C)CC2)cc1 ZINC001150069387 862062302 /nfs/dbraw/zinc/06/23/02/862062302.db2.gz IETHXGALKKACEM-UHFFFAOYSA-N 0 0 314.389 1.618 20 10 DDCDRN COc1c(O)c(CN[C@@H](C)c2noc(C)n2)ccc1[N+](=O)[O-] ZINC001327438486 862175432 /nfs/dbraw/zinc/17/54/32/862175432.db2.gz LSKWVQSNUNZTMY-ZETCQYMHSA-N 0 0 308.294 1.851 20 10 DDCDRN O=C(NCc1cc(O)ccc1O)c1cccn(C2CC2)c1=O ZINC001303225166 852750409 /nfs/dbraw/zinc/75/04/09/852750409.db2.gz AFXGVNWMKHNYGZ-UHFFFAOYSA-N 0 0 300.314 1.524 20 10 DDCDRN Nc1ccnc(C(=O)NCc2ccc(N3CCOCC3)cc2)c1 ZINC001123469085 859249086 /nfs/dbraw/zinc/24/90/86/859249086.db2.gz RRVYROTVJUFKNO-UHFFFAOYSA-N 0 0 312.373 1.430 20 10 DDCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1C[C@H]1F ZINC001123730043 859382487 /nfs/dbraw/zinc/38/24/87/859382487.db2.gz WHJKQUXADDTVGU-CHWSQXEVSA-N 0 0 310.344 1.761 20 10 DDCDRN O=C1CN(Cc2cc3c4c(c2O)CCCN4CCC3)CCO1 ZINC001138342363 860065197 /nfs/dbraw/zinc/06/51/97/860065197.db2.gz RECGACFISUJTMH-UHFFFAOYSA-N 0 0 302.374 1.450 20 10 DDCDRN CC(=O)N(C)C1CN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC001138498753 860118835 /nfs/dbraw/zinc/11/88/35/860118835.db2.gz CNJVBJVXIFFHMM-UHFFFAOYSA-N 0 0 303.406 1.186 20 10 DDCDRN COc1ccc2c(c1)c1c(n2C)CCN(C[C@H]2CCC(=O)N2)C1 ZINC001202862891 860174487 /nfs/dbraw/zinc/17/44/87/860174487.db2.gz FLUVCXCJDFQEAI-GFCCVEGCSA-N 0 0 313.401 1.824 20 10 DDCDRN CC[N@H+](CCN1CCOCC1)Cc1c(F)ccc(F)c1[O-] ZINC001139686408 860451286 /nfs/dbraw/zinc/45/12/86/860451286.db2.gz YEGSWNMGKQQAKA-UHFFFAOYSA-N 0 0 300.349 1.825 20 10 DDCDRN COc1ccnc(O[C@H]2CC[N@H+](Cc3cc(F)ccc3O)C2)n1 ZINC001140056392 860566629 /nfs/dbraw/zinc/56/66/29/860566629.db2.gz UVEQHSAMNWJFSV-ZDUSSCGKSA-N 0 0 319.336 1.983 20 10 DDCDRN O=c1[nH]c(=O)c2c([nH]1)CC[N@@H+](Cc1c([O-])cc(F)cc1F)C2 ZINC001140583462 860657924 /nfs/dbraw/zinc/65/79/24/860657924.db2.gz HSDUISHQVLUWOL-UHFFFAOYSA-N 0 0 309.272 1.430 20 10 DDCDRN COC[C@H]1c2nnn(C)c2CCN1Cc1ccc(O)c(C)c1O ZINC001140744836 860690520 /nfs/dbraw/zinc/69/05/20/860690520.db2.gz MXVLVYHKYWCUIG-ZDUSSCGKSA-N 0 0 318.377 1.281 20 10 DDCDRN CN(C1COC1)C1CN(Cc2ccc3c(c2)OCCN3C)C1 ZINC001141143743 860793952 /nfs/dbraw/zinc/79/39/52/860793952.db2.gz IQQJYCRENFSFAN-UHFFFAOYSA-N 0 0 303.406 1.030 20 10 DDCDRN O=C(Cc1ccc(O)c(O)c1)NC[C@H](O)Cc1cccc(F)c1 ZINC001141491078 860867030 /nfs/dbraw/zinc/86/70/30/860867030.db2.gz VTTUMBGTNSGAST-CQSZACIVSA-N 0 0 319.332 1.499 20 10 DDCDRN CN1CCc2nc(C(=O)NCc3ccccc3O)sc2C1 ZINC001154223649 860893848 /nfs/dbraw/zinc/89/38/48/860893848.db2.gz WAXQYFHPZNUPKG-UHFFFAOYSA-N 0 0 303.387 1.767 20 10 DDCDRN Nc1ccc(CCNC(=O)C(=O)NC[C@@H]2C[C@H]2C2CCC2)cc1 ZINC001325863706 860895891 /nfs/dbraw/zinc/89/58/91/860895891.db2.gz RQAUMCULYNIJEJ-HOCLYGCPSA-N 0 0 315.417 1.480 20 10 DDCDRN COC(=O)[C@@H]1CN(Cc2cc(F)c(F)cc2O)CCCO1 ZINC001142531099 861172818 /nfs/dbraw/zinc/17/28/18/861172818.db2.gz PLDSQLZFKPSKAL-ZDUSSCGKSA-N 0 0 301.289 1.434 20 10 DDCDRN O=C(NCc1ccc(O)cc1O)c1ccc(-n2cncn2)nc1 ZINC001142529706 861172962 /nfs/dbraw/zinc/17/29/62/861172962.db2.gz BVDZEHDCLMWYLS-UHFFFAOYSA-N 0 0 311.301 1.004 20 10 DDCDRN CC(C)(C)C(=O)NCCCC(=O)NCc1c(O)cccc1O ZINC001156880997 863411665 /nfs/dbraw/zinc/41/16/65/863411665.db2.gz LDMAJTWAPXADFN-UHFFFAOYSA-N 0 0 308.378 1.657 20 10 DDCDRN CCC(=O)N1CCCC[C@@H]1C(=O)NCc1c(O)cccc1O ZINC001156880781 863411829 /nfs/dbraw/zinc/41/18/29/863411829.db2.gz AUSMXBKKLJWGJF-GFCCVEGCSA-N 0 0 306.362 1.505 20 10 DDCDRN CCOc1ccc(N2CCN(C(=O)/C=C\COC)CC2)cc1 ZINC001329314980 863592740 /nfs/dbraw/zinc/59/27/40/863592740.db2.gz FMJYLLDTGBGKGT-PLNGDYQASA-N 0 0 304.390 1.937 20 10 DDCDRN O=C(NCc1cccc(O)c1O)c1cc2c([nH]c1=O)CCOC2 ZINC001153798365 864111012 /nfs/dbraw/zinc/11/10/12/864111012.db2.gz PYOLNKCENICMHB-UHFFFAOYSA-N 0 0 316.313 1.201 20 10 DDCDRN COC(=O)c1ncnc(NCc2ccc(O)c(O)c2)c1OC ZINC001159006251 865033947 /nfs/dbraw/zinc/03/39/47/865033947.db2.gz WSPZQENCQCMKAM-UHFFFAOYSA-N 0 0 305.290 1.295 20 10 DDCDRN NC(=O)c1cc(Cl)nc(NCC(=O)c2ccc(O)c(O)c2)c1 ZINC001159271547 865194094 /nfs/dbraw/zinc/19/40/94/865194094.db2.gz BOXMXPABMUHUCB-UHFFFAOYSA-N 0 0 321.720 1.540 20 10 DDCDRN C[C@@H](NC(=O)C(=O)N1CCC(F)CC1)c1ccc(N(C)C)cc1 ZINC001331685499 865243228 /nfs/dbraw/zinc/24/32/28/865243228.db2.gz VEXYBEVOODQYAM-GFCCVEGCSA-N 0 0 321.396 1.890 20 10 DDCDRN Cc1nn(C)c(C)c1NC(=O)C(=O)N[C@@H](C)c1ccccc1O ZINC001332437775 865842177 /nfs/dbraw/zinc/84/21/77/865842177.db2.gz AOLAJJWTZGNVEV-VIFPVBQESA-N 0 0 316.361 1.558 20 10 DDCDRN CCCN(Cc1ccccc1O)c1nnnn1Cc1ccon1 ZINC001332547412 865924447 /nfs/dbraw/zinc/92/44/47/865924447.db2.gz AXPRFNSRWKKYEE-UHFFFAOYSA-N 0 0 314.349 1.832 20 10 DDCDRN N[C@@H](C(=O)N1CCCc2cc(O)c(O)cc2C1)C(F)(F)F ZINC001160924094 866188967 /nfs/dbraw/zinc/18/89/67/866188967.db2.gz BYRBCXKPIGQKQI-NSHDSACASA-N 0 0 304.268 1.262 20 10 DDCDRN CCOc1ccc(N2CCN(C(=O)[C@](C)(O)COC)CC2)cc1 ZINC001320394728 866702517 /nfs/dbraw/zinc/70/25/17/866702517.db2.gz PGVXLZVRLYCABE-QGZVFWFLSA-N 0 0 322.405 1.131 20 10 DDCDRN O=C(Cc1ccc(O)c(O)c1)NCc1nnc(C2CC2)s1 ZINC001161915776 867096830 /nfs/dbraw/zinc/09/68/30/867096830.db2.gz GXUUQKRHTXRKJA-UHFFFAOYSA-N 0 0 305.359 1.686 20 10 DDCDRN O=C([O-])CC1CC([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC001334069661 867275717 /nfs/dbraw/zinc/27/57/17/867275717.db2.gz BODCBDDCZHVVLJ-UHFFFAOYSA-N 0 0 304.390 1.866 20 10 DDCDRN CCCOc1ccc(C[NH2+][C@H](Cn2cncn2)C(=O)[O-])cc1C ZINC001334071499 867278026 /nfs/dbraw/zinc/27/80/26/867278026.db2.gz NYNXFMHTABVGKA-CQSZACIVSA-N 0 0 318.377 1.618 20 10 DDCDRN C[C@@](O)(C(=O)NCc1ccc(O)cc1O)c1ccc(F)cc1 ZINC001162284965 867408478 /nfs/dbraw/zinc/40/84/78/867408478.db2.gz ITPDISAKADCCFY-INIZCTEOSA-N 0 0 305.305 1.761 20 10 DDCDRN CCOc1ccc(C[NH+]2CCC(OCC(N)=O)CC2)c(O)c1 ZINC001324745669 867493873 /nfs/dbraw/zinc/49/38/73/867493873.db2.gz DPROUDBOPNDYSO-UHFFFAOYSA-N 0 0 308.378 1.257 20 10 DDCDRN C[C@@H]1CC(NC(=O)C(=O)N(C)Cc2ccccc2O)C[C@@H](C)O1 ZINC001324841449 867567531 /nfs/dbraw/zinc/56/75/31/867567531.db2.gz HFRDHSVISBDDIO-VXGBXAGGSA-N 0 0 320.389 1.423 20 10 DDCDRN CN(C)c1ccc(CN(C)C(=O)C(=O)N2CC=CCC2)cc1 ZINC001324857978 867583432 /nfs/dbraw/zinc/58/34/32/867583432.db2.gz SBXMXVFXMPPFDF-UHFFFAOYSA-N 0 0 301.390 1.500 20 10 DDCDRN CCC[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccccc2O)CCO1 ZINC001324871841 867594299 /nfs/dbraw/zinc/59/42/99/867594299.db2.gz HHJMUHZZSIELSX-CQSZACIVSA-N 0 0 320.389 1.378 20 10 DDCDRN Nc1ccc(CNc2nc(Cl)nc3c2S(=O)(=O)CC3)cc1 ZINC001162789882 867823628 /nfs/dbraw/zinc/82/36/28/867823628.db2.gz NCTSDDHIOXUICG-UHFFFAOYSA-N 0 0 324.793 1.654 20 10 DDCDRN CCN(Cc1ccoc1)C(=O)C(=O)N(C)Cc1ccccc1O ZINC001325196608 867854946 /nfs/dbraw/zinc/85/49/46/867854946.db2.gz WQXXQXYQSSDOMG-UHFFFAOYSA-N 0 0 316.357 1.992 20 10 DDCDRN Nc1ccc(CCNC(=O)NCc2cnc3n2CCOC3)cc1 ZINC001335586243 868401373 /nfs/dbraw/zinc/40/13/73/868401373.db2.gz AYRZBUCTQOCDGK-UHFFFAOYSA-N 0 0 315.377 1.037 20 10 DDCDRN CNc1ncccc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC001335892073 868601068 /nfs/dbraw/zinc/60/10/68/868601068.db2.gz RIAXROPDAUIDHJ-SNVBAGLBSA-N 0 0 301.346 1.896 20 10 DDCDRN Cc1ccsc1CNC(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001336097789 868729830 /nfs/dbraw/zinc/72/98/30/868729830.db2.gz YVSFPOGCDZMNCI-UHFFFAOYSA-N 0 0 316.382 1.921 20 10 DDCDRN CCOC(=O)[C@H]1CCCN(C(=O)NCc2ccc(N)cc2)C1 ZINC001336290169 868844661 /nfs/dbraw/zinc/84/46/61/868844661.db2.gz IEQWJIOATDXBAQ-ZDUSSCGKSA-N 0 0 305.378 1.754 20 10 DDCDRN O=C(NC[C@@H]1CCCC12CC2)C(=O)N1Cc2cccc(O)c2C1 ZINC001336593799 869037278 /nfs/dbraw/zinc/03/72/78/869037278.db2.gz CMINLYAQTSMVQY-ZDUSSCGKSA-N 0 0 314.385 1.931 20 10 DDCDRN Nc1nccc(NCc2ccc(N3CCC(O)CC3)c(F)c2)n1 ZINC001336987624 869246881 /nfs/dbraw/zinc/24/68/81/869246881.db2.gz RQJLDNOIVBAFLG-UHFFFAOYSA-N 0 0 317.368 1.771 20 10 DDCDRN CC1(C)COC(=O)[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001297569485 870105636 /nfs/dbraw/zinc/10/56/36/870105636.db2.gz BDWHYINPDUZXIL-SNVBAGLBSA-N 0 0 304.306 1.530 20 10 DDCDRN CN(Cc1ccccc1O)c1nnc([C@H]2CCCC(=O)N2)n1C ZINC001339001703 870291007 /nfs/dbraw/zinc/29/10/07/870291007.db2.gz GQRHOUUFWRKSNW-GFCCVEGCSA-N 0 0 315.377 1.498 20 10 DDCDRN COC1(OC)CCOC[C@@H]1[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC001203530770 870617454 /nfs/dbraw/zinc/61/74/54/870617454.db2.gz ZJXAMYWEPGHRQA-LBPRGKRZSA-N 0 0 303.305 1.538 20 10 DDCDRN COC(=O)[C@@H]1C[C@](O)(C(F)(F)F)CN1Cc1ccccc1O ZINC001203550496 870636464 /nfs/dbraw/zinc/63/64/64/870636464.db2.gz WCMXXLATULLSCS-GXFFZTMASA-N 0 0 319.279 1.433 20 10 DDCDRN CN(C)c1ccc(CN2Cc3cn(S(C)(=O)=O)nc3C2)cc1 ZINC001203937690 870844718 /nfs/dbraw/zinc/84/47/18/870844718.db2.gz MDNMMRWIMBFDPT-UHFFFAOYSA-N 0 0 320.418 1.273 20 10 DDCDRN CCOC(=O)[C@@H]1CCC[C@H]1Oc1c(O)c(O)c(O)c(O)c1O ZINC001226465260 882450812 /nfs/dbraw/zinc/45/08/12/882450812.db2.gz 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CN1C(=O)C(=Cc2c(Cl)nc3sccn23)C(=O)N(C)C1=O ZINC000007718381 696030600 /nfs/dbraw/zinc/03/06/00/696030600.db2.gz XVKMFSTTWFPWPN-UHFFFAOYSA-N 0 0 324.749 1.483 20 10 DDCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1cc(CO)on1 ZINC000748023198 700095547 /nfs/dbraw/zinc/09/55/47/700095547.db2.gz CCZRRXBEPRATGC-UHFFFAOYSA-N 0 0 301.346 1.697 20 10 DDCDRN C[C@H]1CC[C@H](C)N1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000092599615 696595801 /nfs/dbraw/zinc/59/58/01/696595801.db2.gz LYOYXDRTOYEOTE-UWVGGRQHSA-N 0 0 312.391 1.777 20 10 DDCDRN O=C([O-])[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000108244969 696633146 /nfs/dbraw/zinc/63/31/46/696633146.db2.gz OXJYLKBPJMXNHC-HNNXBMFYSA-N 0 0 304.390 1.820 20 10 DDCDRN CN(CC(=O)Nc1ccccc1C(N)=O)Cc1ccccc1O ZINC000109770013 696638244 /nfs/dbraw/zinc/63/82/44/696638244.db2.gz BVCJNILDRWAXNL-UHFFFAOYSA-N 0 0 313.357 1.562 20 10 DDCDRN Cc1cc(N(C)C)ccc1CNC(=O)CS(=O)(=O)C(C)C ZINC000115280489 696664456 /nfs/dbraw/zinc/66/44/56/696664456.db2.gz NSBZVXRELNDBSF-UHFFFAOYSA-N 0 0 312.435 1.500 20 10 DDCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C)Cn1cncn1 ZINC000115676600 696665724 /nfs/dbraw/zinc/66/57/24/696665724.db2.gz BZABYCCWVQCFHD-CYBMUJFWSA-N 0 0 316.409 1.540 20 10 DDCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCCCC(=O)N(C)C ZINC000115666873 696665753 /nfs/dbraw/zinc/66/57/53/696665753.db2.gz RLPBXYKJJZAAAS-UHFFFAOYSA-N 0 0 320.437 1.729 20 10 DDCDRN COCCN(CCOC)C(=O)NCc1ccc(N(C)C)cc1C ZINC000115854777 696666337 /nfs/dbraw/zinc/66/63/37/696666337.db2.gz ROZXFQZKUIWIIO-UHFFFAOYSA-N 0 0 323.437 1.865 20 10 DDCDRN CC(=O)NCCCOC(=O)c1c(C)oc(-n2cccc2)c1C#N ZINC000127569362 696772178 /nfs/dbraw/zinc/77/21/78/696772178.db2.gz SKRQJFYANIDONL-UHFFFAOYSA-N 0 0 315.329 1.933 20 10 DDCDRN Cc1cc(N(C)C)ccc1CNS(=O)(=O)[C@@H]1CCO[C@@H]1C ZINC000135680472 696851617 /nfs/dbraw/zinc/85/16/17/696851617.db2.gz ATSSXILJIUCXNM-IUODEOHRSA-N 0 0 312.435 1.658 20 10 DDCDRN O=C(NCCCSc1nccs1)N1CCC[C@H]1CO ZINC000154576518 696934832 /nfs/dbraw/zinc/93/48/32/696934832.db2.gz PENDKCDAMMGGNE-JTQLQIEISA-N 0 0 301.437 1.792 20 10 DDCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCCN2C(C)=O)c1 ZINC000157858089 696982028 /nfs/dbraw/zinc/98/20/28/696982028.db2.gz GDLLSSCJEKDPDM-HZMBPMFUSA-N 0 0 306.362 1.589 20 10 DDCDRN CC[C@@H]1C[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)CCCO1 ZINC000799201215 700128412 /nfs/dbraw/zinc/12/84/12/700128412.db2.gz SHBLTCNOHAFWHT-QGZVFWFLSA-N 0 0 319.449 1.870 20 10 DDCDRN O=C(NCc1ccc(O)c(O)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000159054489 697307032 /nfs/dbraw/zinc/30/70/32/697307032.db2.gz UTXWHGGTACAPOX-UHFFFAOYSA-N 0 0 312.325 1.913 20 10 DDCDRN CN(Cc1ccccc1O)C(=O)NCC(C)(C)S(C)(=O)=O ZINC000748968911 700142693 /nfs/dbraw/zinc/14/26/93/700142693.db2.gz JCYNXZAVQPOHMM-UHFFFAOYSA-N 0 0 314.407 1.357 20 10 DDCDRN CN(C)c1ccc(CNC(=O)c2c([N+](=O)[O-])cnn2C)cc1F ZINC000165409489 697339362 /nfs/dbraw/zinc/33/93/62/697339362.db2.gz CISLWYPNNHOQTE-UHFFFAOYSA-N 0 0 321.312 1.463 20 10 DDCDRN C[C@H]1CN(C(=O)CN2CCOc3cc(N(C)C)ccc32)CCO1 ZINC000175025893 697394089 /nfs/dbraw/zinc/39/40/89/697394089.db2.gz 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/nfs/dbraw/zinc/70/23/66/697702366.db2.gz OLMWFKNSBLNTPI-JSGCOSHPSA-N 0 0 318.421 1.721 20 10 DDCDRN C[C@@H](NC(=O)c1coc(C(N)=O)c1)c1ccc(N(C)C)cc1 ZINC000773016728 697703574 /nfs/dbraw/zinc/70/35/74/697703574.db2.gz ATXLOXLOKKSGJW-SNVBAGLBSA-N 0 0 301.346 1.936 20 10 DDCDRN CC(C)OC(=O)N1CCC(NC(=O)Cc2ccc(N)cc2)CC1 ZINC000236771506 697799688 /nfs/dbraw/zinc/79/96/88/697799688.db2.gz BTFVTNPAZJQYPM-UHFFFAOYSA-N 0 0 319.405 1.937 20 10 DDCDRN Cc1conc1NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773847054 697813278 /nfs/dbraw/zinc/81/32/78/697813278.db2.gz MSQGIQQIINQSDL-LLVKDONJSA-N 0 0 316.361 1.865 20 10 DDCDRN C[C@@H](NC(=O)C(=O)Nc1ccn(C)n1)c1ccc(N(C)C)cc1 ZINC000773858615 697815351 /nfs/dbraw/zinc/81/53/51/697815351.db2.gz RNPWFKBTWLTRAL-LLVKDONJSA-N 0 0 315.377 1.302 20 10 DDCDRN C[C@@H](NC(=O)C(=O)NC[C@H]1CCCO1)c1ccc(N(C)C)cc1 ZINC000774464854 697882950 /nfs/dbraw/zinc/88/29/50/697882950.db2.gz NFHXDMKSIBIILN-IUODEOHRSA-N 0 0 319.405 1.225 20 10 DDCDRN COc1c([O-])c(C[NH2+]C[C@]2(OC)CCOC2)ccc1[N+](=O)[O-] ZINC000775068273 697959444 /nfs/dbraw/zinc/95/94/44/697959444.db2.gz KFCFXMZUUBKPFG-CQSZACIVSA-N 0 0 312.322 1.204 20 10 DDCDRN C[C@@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC000775403261 697993193 /nfs/dbraw/zinc/99/31/93/697993193.db2.gz IKAYFTBPAXPTSC-SNVBAGLBSA-N 0 0 317.349 1.885 20 10 DDCDRN C[C@H]1C[C@H](C)CN(C(=O)COC(=O)c2cccc(O)c2O)C1 ZINC000776281564 698091908 /nfs/dbraw/zinc/09/19/08/698091908.db2.gz HGWAORNFSTVXCX-QWRGUYRKSA-N 0 0 307.346 1.759 20 10 DDCDRN COc1ccc(N2CCCN(C(=O)C(C)(C)CO)CC2)cc1 ZINC000776338508 698096604 /nfs/dbraw/zinc/09/66/04/698096604.db2.gz KPWUZWIGJXANSB-UHFFFAOYSA-N 0 0 306.406 1.752 20 10 DDCDRN C[C@@H]1CN(c2ccc(CNC(=O)C(C)(C)O)cc2F)C[C@@H](C)O1 ZINC000776633572 698128211 /nfs/dbraw/zinc/12/82/11/698128211.db2.gz QBKHWUKFWAPMTO-VXGBXAGGSA-N 0 0 324.396 1.826 20 10 DDCDRN C[C@@H](NC(=O)c1ccncn1)c1ccc(N2CCOCC2)cc1 ZINC000777585525 698205620 /nfs/dbraw/zinc/20/56/20/698205620.db2.gz LGYJQLURVZGCSL-CYBMUJFWSA-N 0 0 312.373 1.804 20 10 DDCDRN COC(=O)c1cc(C(=O)NCc2ccc(N(C)C)cc2)on1 ZINC000777792303 698222300 /nfs/dbraw/zinc/22/23/00/698222300.db2.gz XPTWOVCVOUCQHC-UHFFFAOYSA-N 0 0 303.318 1.457 20 10 DDCDRN CN1C(=O)C(=Cc2ccc([N+](=O)[O-])cc2F)C(=O)N(C)C1=O ZINC000777869359 698229244 /nfs/dbraw/zinc/22/92/44/698229244.db2.gz JHWHNDIYBCYHJF-UHFFFAOYSA-N 0 0 307.237 1.168 20 10 DDCDRN COc1ccc(O)c([C@@H](C)NS(=O)(=O)N2CC[C@@H](C)C2)c1 ZINC000778006506 698236866 /nfs/dbraw/zinc/23/68/66/698236866.db2.gz VPLCOPJULQCXDE-GHMZBOCLSA-N 0 0 314.407 1.638 20 10 DDCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](NC(N)=O)C(C)(C)C ZINC000800334450 700216487 /nfs/dbraw/zinc/21/64/87/700216487.db2.gz DCOZVZQUAXBCRJ-CQSZACIVSA-N 0 0 320.437 1.760 20 10 DDCDRN Cc1cnc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c(O)c1 ZINC000779068808 698393727 /nfs/dbraw/zinc/39/37/27/698393727.db2.gz CYWMYQZUWJNWIM-JTQLQIEISA-N 0 0 302.330 1.868 20 10 DDCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCCCOC1CCOCC1 ZINC000779485566 698426878 /nfs/dbraw/zinc/42/68/78/698426878.db2.gz PLXHORMTZNLDFR-HWKANZROSA-N 0 0 321.373 1.813 20 10 DDCDRN COCCCOC1CN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000779487241 698427791 /nfs/dbraw/zinc/42/77/91/698427791.db2.gz BFUDIJVUJUDRDA-GQCTYLIASA-N 0 0 307.346 1.375 20 10 DDCDRN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H](CO)Cc1ccco1 ZINC000779501755 698428700 /nfs/dbraw/zinc/42/87/00/698428700.db2.gz XIPJGSKTYJRFND-DIECRNLCSA-N 0 0 317.341 1.671 20 10 DDCDRN COC(=O)N1CCC[C@H](NC(=O)c2ccc(C)c(O)c2O)C1 ZINC000780919020 698571356 /nfs/dbraw/zinc/57/13/56/698571356.db2.gz PVXOASGCBQIMDW-JTQLQIEISA-N 0 0 308.334 1.367 20 10 DDCDRN COc1ccccc1[C@H](O)CNC(=O)c1ccc(C)c(O)c1O ZINC000780969958 698578062 /nfs/dbraw/zinc/57/80/62/698578062.db2.gz VTTZROZVIAGGNN-CYBMUJFWSA-N 0 0 317.341 1.878 20 10 DDCDRN COCC[C@@H](CO)[NH2+]Cc1cccc(Br)c1[O-] ZINC000305899619 698659877 /nfs/dbraw/zinc/65/98/77/698659877.db2.gz AFKUYSVSNKJHPA-JTQLQIEISA-N 0 0 304.184 1.642 20 10 DDCDRN CC(=O)c1cc(F)cc(CN2CCN(CCO)C(C)(C)C2)c1O 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COC(=O)[C@@H]1C[C@H](F)CN1Cc1cc(Cl)c(O)cc1O ZINC001232261024 845930006 /nfs/dbraw/zinc/93/00/06/845930006.db2.gz VFDBQHZOYTWCRT-WPRPVWTQSA-N 0 0 303.717 1.837 20 10 DDCDRN CC[C@@H](C)N1CC2(CN(Cc3ccccc3O)C2)OCC1=O ZINC001272619630 846418998 /nfs/dbraw/zinc/41/89/98/846418998.db2.gz XGQWSCUWWUUTSU-CYBMUJFWSA-N 0 0 304.390 1.604 20 10 DDCDRN CCCCN1CC2(CN(Cc3cc(C)ccc3O)C2)OCC1=O ZINC001272622285 846421922 /nfs/dbraw/zinc/42/19/22/846421922.db2.gz CATPCHXQBBGAKD-UHFFFAOYSA-N 0 0 318.417 1.914 20 10 DDCDRN Cc1occc1CN(C)C(=O)C(=O)N(C)Cc1ccccc1O ZINC001326912367 861710132 /nfs/dbraw/zinc/71/01/32/861710132.db2.gz SURGGDYNFOFPRV-UHFFFAOYSA-N 0 0 316.357 1.911 20 10 DDCDRN CC[C@@H](C)N1C(=O)COCC12CN(Cc1ccc(O)c(O)c1)C2 ZINC001272903130 847615766 /nfs/dbraw/zinc/61/57/66/847615766.db2.gz NKMKIGICSZZERZ-GFCCVEGCSA-N 0 0 320.389 1.310 20 10 DDCDRN CC(C)[C@@H]1CCN1C(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC001327320015 862060135 /nfs/dbraw/zinc/06/01/35/862060135.db2.gz RUQWBTURVDROAW-HNNXBMFYSA-N 0 0 303.406 1.626 20 10 DDCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CO[C@H]1CCOC1 ZINC001327342424 862077604 /nfs/dbraw/zinc/07/76/04/862077604.db2.gz VRAUYDZYBKXBEE-PBHICJAKSA-N 0 0 320.433 1.914 20 10 DDCDRN CCCCN1C(=O)COCC12CN(Cc1cccc(C)c1O)C2 ZINC001273769398 851321626 /nfs/dbraw/zinc/32/16/26/851321626.db2.gz JCGFRQOEUFCRKK-UHFFFAOYSA-N 0 0 318.417 1.914 20 10 DDCDRN COc1ccc(N2CC3(C2)CN([C@H](C)C(C)=O)C(=O)CO3)cc1 ZINC001274792268 852609533 /nfs/dbraw/zinc/60/95/33/852609533.db2.gz ZFMWTHBTPMNGAJ-GFCCVEGCSA-N 0 0 318.373 1.090 20 10 DDCDRN CNC(=O)c1cccnc1N1CCCc2cc(O)c(O)cc2C1 ZINC001155945060 862582854 /nfs/dbraw/zinc/58/28/54/862582854.db2.gz QVXGPMZLCDHKLQ-UHFFFAOYSA-N 0 0 313.357 1.805 20 10 DDCDRN C[C@H]1CCc2[nH]nc(C(=O)NCc3cccc(O)c3O)c2C1 ZINC001123979029 859508481 /nfs/dbraw/zinc/50/84/81/859508481.db2.gz ZTCDEVLIYMICEL-VIFPVBQESA-N 0 0 301.346 1.876 20 10 DDCDRN COc1ccc(N2CC3(CCN3Cc3cn[nH]c3)C2)c(OC)c1 ZINC001276994485 881523994 /nfs/dbraw/zinc/52/39/94/881523994.db2.gz PBHLBBPHHUHIIH-UHFFFAOYSA-N 0 0 314.389 1.892 20 10 DDCDRN O=C(Cc1ccc(O)c(O)c1)N1CCn2c(nnc2C(F)F)C1 ZINC001139612164 860440502 /nfs/dbraw/zinc/44/05/02/860440502.db2.gz CZCHIRDHSVPSJE-UHFFFAOYSA-N 0 0 324.287 1.212 20 10 DDCDRN [O-]c1c(F)ccc(F)c1CN1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001139689233 860453177 /nfs/dbraw/zinc/45/31/77/860453177.db2.gz GNIHEKWFURFSJV-LBPRGKRZSA-N 0 0 312.360 1.967 20 10 DDCDRN COC(=O)[C@H]1CCCN1Cc1ccc(N2CCOCC2)cc1F ZINC001140660562 860669610 /nfs/dbraw/zinc/66/96/10/860669610.db2.gz WGTJJSIXAIYNMN-MRXNPFEDSA-N 0 0 322.380 1.800 20 10 DDCDRN COC[C@@H]1COCCN1Cc1ccc(N2CCOCC2)cc1F ZINC001140666889 860670605 /nfs/dbraw/zinc/67/06/05/860670605.db2.gz DMFVQKNEHLTLTI-MRXNPFEDSA-N 0 0 324.396 1.510 20 10 DDCDRN C[N@@H+]1C[C@@H]2C[C@H]1CN2Cc1ccc(N2CCOCC2)cc1F ZINC001140663420 860670847 /nfs/dbraw/zinc/67/08/47/860670847.db2.gz DDIJEEMBHUMNJG-HOTGVXAUSA-N 0 0 305.397 1.551 20 10 DDCDRN O=C(Cc1ccc(O)c(O)c1)N1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC001141350222 860832289 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865064316 /nfs/dbraw/zinc/06/43/16/865064316.db2.gz LDPYDSIVYJHCHY-UHFFFAOYSA-N 0 0 308.721 1.673 20 10 DDCDRN CN(C)c1cc(F)c(CN[C@H](CO)c2cnn(C)c2)cc1F ZINC001331505397 865122164 /nfs/dbraw/zinc/12/21/64/865122164.db2.gz SXTNKRULSPUHHO-CQSZACIVSA-N 0 0 310.348 1.588 20 10 DDCDRN CC[C@H](C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)C(=O)[O-] ZINC001331965882 865465991 /nfs/dbraw/zinc/46/59/91/865465991.db2.gz KWTYIOIETVMWIP-CQSZACIVSA-N 0 0 323.412 1.778 20 10 DDCDRN C[C@H]1N(C(=O)C(=O)N2Cc3cccc(O)c3C2)CCOC1(C)C ZINC001332018035 865505680 /nfs/dbraw/zinc/50/56/80/865505680.db2.gz CBIAZRCVQDJCJE-LLVKDONJSA-N 0 0 318.373 1.260 20 10 DDCDRN CN(Cc1cccs1)c1ccc(C[NH2+][C@@H](CO)C(=O)[O-])cc1 ZINC001332486041 865872167 /nfs/dbraw/zinc/87/21/67/865872167.db2.gz QJEBAHXXTIWURF-HNNXBMFYSA-N 0 0 320.414 1.920 20 10 DDCDRN O=C(NC[C@@H](CO)c1ccc(F)cc1)c1cccc(O)c1O ZINC001161468180 866690887 /nfs/dbraw/zinc/69/08/87/866690887.db2.gz KTJARSTVFXMLAJ-NSHDSACASA-N 0 0 305.305 1.743 20 10 DDCDRN CC(=O)N1CCC(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)CC1 ZINC001320384829 866693895 /nfs/dbraw/zinc/69/38/95/866693895.db2.gz CAXYTYVDBUIKFD-NSHDSACASA-N 0 0 320.389 1.404 20 10 DDCDRN COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cncnc2)c1 ZINC001320405736 866715379 /nfs/dbraw/zinc/71/53/79/866715379.db2.gz MFPQDJFMJZQZJY-VIFPVBQESA-N 0 0 316.317 1.007 20 10 DDCDRN O=C(NCc1cccc2c1OCCO2)c1c(F)ccc(O)c1O ZINC001161884812 867070593 /nfs/dbraw/zinc/07/05/93/867070593.db2.gz WPBRSFKQOVHPTN-UHFFFAOYSA-N 0 0 319.288 1.938 20 10 DDCDRN COC(=O)[C@@H]1C[C@H](O)CN1Cc1ccc(N2CCCC2)cc1 ZINC001320990164 867184603 /nfs/dbraw/zinc/18/46/03/867184603.db2.gz YBYHHKQODWXPQQ-HOTGVXAUSA-N 0 0 304.390 1.395 20 10 DDCDRN CN1CCN(c2ccc(CNC(CF)CF)cc2F)CC1 ZINC001324459004 867290123 /nfs/dbraw/zinc/29/01/23/867290123.db2.gz NHFCJRGDEPCVKC-UHFFFAOYSA-N 0 0 301.356 1.975 20 10 DDCDRN COC1([C@H](C)NC(=O)Cc2ccc(O)c(O)c2)CCOCC1 ZINC001162191179 867328749 /nfs/dbraw/zinc/32/87/49/867328749.db2.gz LQYOBROCELPTTF-NSHDSACASA-N 0 0 309.362 1.341 20 10 DDCDRN CCOC(=O)[C@H](C)NCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001321149553 867354514 /nfs/dbraw/zinc/35/45/14/867354514.db2.gz QMWRANPIBKEKKW-ZDUSSCGKSA-N 0 0 323.412 1.619 20 10 DDCDRN CN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1COC2(CCC2)C1 ZINC001334547652 867657483 /nfs/dbraw/zinc/65/74/83/867657483.db2.gz DKAINBVIGTWEMT-ZDUSSCGKSA-N 0 0 318.373 1.178 20 10 DDCDRN C[C@@H]1CSCCN(C(=O)C(=O)N(C)Cc2ccccc2O)C1 ZINC001325075845 867748563 /nfs/dbraw/zinc/74/85/63/867748563.db2.gz MZSXHETZFCLIDE-LBPRGKRZSA-N 0 0 322.430 1.562 20 10 DDCDRN CC(C)OC(=O)C(C)(C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001335377095 868258066 /nfs/dbraw/zinc/25/80/66/868258066.db2.gz TYPGOTSNJAYRHC-SOFGYWHQSA-N 0 0 307.346 1.957 20 10 DDCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@@H]2COC(=O)[C@@H]2C1 ZINC001336426717 868938604 /nfs/dbraw/zinc/93/86/04/868938604.db2.gz NNEQOXIYBMHKLC-UKRRQHHQSA-N 0 0 317.389 1.375 20 10 DDCDRN Nc1ccc(CNC(=O)NC[C@H]2CC(=O)N(C3CC3)C2)cc1 ZINC001336860363 869186461 /nfs/dbraw/zinc/18/64/61/869186461.db2.gz 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Cc1ccc2c(c1)[C@@H](NC(=O)c1cc(O)c(O)c(O)c1)C(=O)N2 ZINC001148586476 773540238 /nfs/dbraw/zinc/54/02/38/773540238.db2.gz PHURJFPYOLNQLI-CYBMUJFWSA-N 0 0 314.297 1.535 20 10 DDCDRN O=C(Nc1ccccc1-n1cncn1)c1cc(O)c(O)c(O)c1 ZINC001148586496 773540484 /nfs/dbraw/zinc/54/04/84/773540484.db2.gz PXMLWGBCNCMSMJ-UHFFFAOYSA-N 0 0 312.285 1.636 20 10 DDCDRN COc1ccc(N(C)S(=O)(=O)CCc2ccc(N)cc2)cn1 ZINC001173959565 777375181 /nfs/dbraw/zinc/37/51/81/777375181.db2.gz LTTFYJZFBJAVLQ-UHFFFAOYSA-N 0 0 321.402 1.681 20 10 DDCDRN CN(c1ccc2nccn2c1)S(=O)(=O)Cc1ccc(N)cc1 ZINC001174276857 777451624 /nfs/dbraw/zinc/45/16/24/777451624.db2.gz TTXTYCXGWRJGBZ-UHFFFAOYSA-N 0 0 316.386 1.883 20 10 DDCDRN C[C@H]1CCc2nc(C(=O)NCc3cc(O)ccc3O)cn2C1 ZINC001176754333 778244365 /nfs/dbraw/zinc/24/43/65/778244365.db2.gz AZVUHNLBWLROIS-JTQLQIEISA-N 0 0 301.346 1.807 20 10 DDCDRN Cc1cnn(CCO)c1NC(=O)/C=C/c1ccc(N(C)C)cc1 ZINC001180123980 779631038 /nfs/dbraw/zinc/63/10/38/779631038.db2.gz URYLBQCYENUBHJ-RMKNXTFCSA-N 0 0 314.389 1.902 20 10 DDCDRN CN(C)c1ccc(/C=C/C(=O)NC[C@@H]2CN(C)CCO2)cc1 ZINC001180128341 779632893 /nfs/dbraw/zinc/63/28/93/779632893.db2.gz KIQFSJKYNLWGFR-YXMGTMDOSA-N 0 0 303.406 1.213 20 10 DDCDRN CCOc1ccc(N2CCN(CC(=O)NCC(C)C)CC2)cc1 ZINC001116348149 780499144 /nfs/dbraw/zinc/49/91/44/780499144.db2.gz OZRBQJMJBNWUHE-UHFFFAOYSA-N 0 0 319.449 1.980 20 10 DDCDRN CO[C@H]1CC[C@@H](NC(=O)C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC001116996735 780607629 /nfs/dbraw/zinc/60/76/29/780607629.db2.gz VCISOQVZOXUGSN-HIFRSBDPSA-N 0 0 319.405 1.053 20 10 DDCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@H](C)C1CC1 ZINC001117145194 780674575 /nfs/dbraw/zinc/67/45/75/780674575.db2.gz TTWLLKLSPZWOMH-ZDUSSCGKSA-N 0 0 317.433 1.840 20 10 DDCDRN C[C@@H]1CCN(C(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC001117813987 780904523 /nfs/dbraw/zinc/90/45/23/780904523.db2.gz HGLSFQAXEBGBMT-CYBMUJFWSA-N 0 0 303.406 1.579 20 10 DDCDRN CO[C@@H]1CCCC[C@H]1NC(=O)C(=O)N(C)Cc1ccccc1O ZINC001118363487 781106997 /nfs/dbraw/zinc/10/69/97/781106997.db2.gz 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/nfs/dbraw/zinc/86/28/88/861862888.db2.gz FXLDSWOGLFCJAS-QXEWZRGKSA-N 0 0 319.288 1.634 20 10 DDCDRN CN(Cc1ccccc1O)C(=O)C(=O)N(C)CC1=CCCOC1 ZINC001327315937 862057641 /nfs/dbraw/zinc/05/76/41/862057641.db2.gz CQCYIXSBCPKORT-UHFFFAOYSA-N 0 0 318.373 1.156 20 10 DDCDRN COC(=O)[C@@H]1C[C@@H](F)CN1Cc1ccc(N2CCOCC2)cc1 ZINC001138495071 860118993 /nfs/dbraw/zinc/11/89/93/860118993.db2.gz FPSIJZQSKNVEMC-ZBFHGGJFSA-N 0 0 322.380 1.609 20 10 DDCDRN COc1ccc(N2CCN(Cc3nccnc3N)CC2)c(C)c1 ZINC001140014783 860549200 /nfs/dbraw/zinc/54/92/00/860549200.db2.gz UOIYHFVJNZQUHP-UHFFFAOYSA-N 0 0 313.405 1.698 20 10 DDCDRN Cn1nc([C@H]2CCCO2)cc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001140037773 860556225 /nfs/dbraw/zinc/55/62/25/860556225.db2.gz XNLNQTIZPHQUCD-CQSZACIVSA-N 0 0 317.345 1.864 20 10 DDCDRN COC(=O)C[C@H]1CC[N@H+](Cc2c(O)cc(OC)cc2OC)C1 ZINC001141033094 860769112 /nfs/dbraw/zinc/76/91/12/860769112.db2.gz ZUCQHICMXUBTQD-LLVKDONJSA-N 0 0 309.362 1.794 20 10 DDCDRN NC(=O)[C@@H]1C[C@H](F)CN1Cc1cc2c3c(c1)CCCN3CCC2 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CN(Cc1ccccc1O)C(=O)C(=O)NC[C@]1(C)CCCS1 ZINC001329377169 863630503 /nfs/dbraw/zinc/63/05/03/863630503.db2.gz YRHDRFXMNJXKRW-INIZCTEOSA-N 0 0 322.430 1.753 20 10 DDCDRN COC1CC(CCNC(=O)C(=O)N(C)Cc2ccccc2O)C1 ZINC001329632267 863762217 /nfs/dbraw/zinc/76/22/17/863762217.db2.gz QQLPJUWHGCCFMC-UHFFFAOYSA-N 0 0 320.389 1.282 20 10 DDCDRN CC1(C)CC[C@@H](CNC(=O)C(=O)N2Cc3cccc(O)c3C2)O1 ZINC001330342605 864254923 /nfs/dbraw/zinc/25/49/23/864254923.db2.gz AKLCNDWAIYHFLB-LBPRGKRZSA-N 0 0 318.373 1.308 20 10 DDCDRN C[C@@H](N(C)C(=O)C(=O)N1Cc2cccc(O)c2C1)C1(C)CC1 ZINC001332023975 865511366 /nfs/dbraw/zinc/51/13/66/865511366.db2.gz XBNUNHYOAXOXJU-LLVKDONJSA-N 0 0 302.374 1.881 20 10 DDCDRN Nc1ccc(CCNC(=O)C(=O)NCC[C@@H]2CCCS2)cc1 ZINC001332303776 865742241 /nfs/dbraw/zinc/74/22/41/865742241.db2.gz VQMAQNSKOJQABQ-AWEZNQCLSA-N 0 0 321.446 1.329 20 10 DDCDRN C[C@H]1CC[C@@H](CNC(=O)C(=O)N2Cc3cccc(O)c3C2)C1 ZINC001332641609 866009187 /nfs/dbraw/zinc/00/91/87/866009187.db2.gz PKWIBDPPDAOHIN-NWDGAFQWSA-N 0 0 302.374 1.787 20 10 DDCDRN CN(Cc1ccccc1O)C(=O)C(=O)NC1CC2(CCC2)C1 ZINC001332843146 866181655 /nfs/dbraw/zinc/18/16/55/866181655.db2.gz ONWKLIRVIKOTJT-UHFFFAOYSA-N 0 0 302.374 1.800 20 10 DDCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@]12CC(=O)N[C@H]1CCCC2 ZINC001334066685 867275571 /nfs/dbraw/zinc/27/55/71/867275571.db2.gz PCEIPQDKAUGUDV-KQTBYGHGSA-N 0 0 316.357 1.429 20 10 DDCDRN COC(=O)NC1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC001321255499 867440437 /nfs/dbraw/zinc/44/04/37/867440437.db2.gz PQFLCTISBFMCBF-UHFFFAOYSA-N 0 0 324.356 1.142 20 10 DDCDRN C[C@H]1CN(C(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H]1C ZINC001324804857 867536791 /nfs/dbraw/zinc/53/67/91/867536791.db2.gz WHEZFVFWOGWSJZ-OKILXGFUSA-N 0 0 317.433 1.825 20 10 DDCDRN CCOc1ccc(N2CCN(C(=O)CCCC(N)=O)CC2)cc1 ZINC001324829466 867557856 /nfs/dbraw/zinc/55/78/56/867557856.db2.gz VZRUAPLFZBNFDS-UHFFFAOYSA-N 0 0 319.405 1.390 20 10 DDCDRN Cn1cc([C@@H](O)C(=O)NCc2ccc3cccnc3c2O)cn1 ZINC001162612872 867678370 /nfs/dbraw/zinc/67/83/70/867678370.db2.gz RLYKCWUQERIJDT-OAHLLOKOSA-N 0 0 312.329 1.024 20 10 DDCDRN COCc1noc(CN2CCN(Cc3ccc(N)cc3)CC2)n1 ZINC001334774821 867824849 /nfs/dbraw/zinc/82/48/49/867824849.db2.gz PHPAIJPCNCBAIC-UHFFFAOYSA-N 0 0 317.393 1.116 20 10 DDCDRN Nc1ccc(CNC(=O)N2CCC[C@H]2[C@@H](O)C(F)(F)F)cc1 ZINC001335724085 868498101 /nfs/dbraw/zinc/49/81/01/868498101.db2.gz FYFMDBNINKXHBK-NWDGAFQWSA-N 0 0 317.311 1.866 20 10 DDCDRN COC(=O)c1nccc(NCc2ccc3cccnc3c2O)n1 ZINC001163539284 868518653 /nfs/dbraw/zinc/51/86/53/868518653.db2.gz UVQPRSHUUAUUFT-UHFFFAOYSA-N 0 0 310.313 1.551 20 10 DDCDRN CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)NCc2ccc(N)cc2)C1 ZINC001336226001 868800995 /nfs/dbraw/zinc/80/09/95/868800995.db2.gz VQIAWFYJGMOAGI-UKRRQHHQSA-N 0 0 318.421 1.715 20 10 DDCDRN Nc1ccc(CNC(=O)N2CCC(Cn3ccnn3)CC2)cc1 ZINC001336291122 868844304 /nfs/dbraw/zinc/84/43/04/868844304.db2.gz ZTYOXRPEQDKNKS-UHFFFAOYSA-N 0 0 314.393 1.482 20 10 DDCDRN CN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CO[C@H](C2CC2)C1 ZINC001336596162 869039858 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871183545 /nfs/dbraw/zinc/18/35/45/871183545.db2.gz LAUBIIIKUHEGRC-UHFFFAOYSA-N 0 0 320.389 1.609 20 10 DDCDRN O=C(NCc1c(O)cccc1O)[C@H]1CC(c2ccccc2)=NO1 ZINC001304051637 871183641 /nfs/dbraw/zinc/18/36/41/871183641.db2.gz ZJBGKNNOPGRLPW-MRXNPFEDSA-N 0 0 312.325 1.907 20 10 DDCDRN COc1cccc(CNC(=O)Nc2ccn(C)c(=O)c2)c1O ZINC001205446270 871560812 /nfs/dbraw/zinc/56/08/12/871560812.db2.gz UCXVCMBLSQRKAE-UHFFFAOYSA-N 0 0 303.318 1.421 20 10 DDCDRN CCC1CCN(S(=O)(=O)NCc2c(O)cccc2F)CC1 ZINC001309879117 871604886 /nfs/dbraw/zinc/60/48/86/871604886.db2.gz MODLUMFYCBIEEG-UHFFFAOYSA-N 0 0 316.398 1.988 20 10 DDCDRN CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2CC=CCC2)cc1 ZINC001342272418 872118816 /nfs/dbraw/zinc/11/88/16/872118816.db2.gz LMSICCCWMORATC-AWEZNQCLSA-N 0 0 301.390 1.594 20 10 DDCDRN Cc1cc(=O)oc2c1ccc([O-])c2CN1C[C@H]([NH3+])C[C@@H](F)C1 ZINC001206425416 872305570 /nfs/dbraw/zinc/30/55/70/872305570.db2.gz VWRSKQQZUPQWPE-GHMZBOCLSA-N 0 0 306.337 1.678 20 10 DDCDRN CCc1cccc(CN2CCn3c(COC)nnc3C2)c1O 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320.368 1.871 20 10 DDCDRN CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C)C(C)C ZINC001320693282 866951690 /nfs/dbraw/zinc/95/16/90/866951690.db2.gz XYFYIPMMOBOXDD-AAEUAGOBSA-N 0 0 323.389 1.980 20 10 DDCDRN CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2[C@@H]3CCC[C@@H]32)cc1F ZINC001324530463 867335114 /nfs/dbraw/zinc/33/51/14/867335114.db2.gz ONRAWURQGAGJCF-JJLQDPRZSA-N 0 0 319.380 1.423 20 10 DDCDRN O=C(NCc1ccc(O)cc1O)c1ccc(-n2cnnn2)cc1 ZINC001162271919 867400360 /nfs/dbraw/zinc/40/03/60/867400360.db2.gz WAKYILDTSOPZJP-UHFFFAOYSA-N 0 0 311.301 1.004 20 10 DDCDRN NC(=O)c1cccc(C(=O)NCc2ccc3cccnc3c2O)n1 ZINC001162613119 867678859 /nfs/dbraw/zinc/67/88/59/867678859.db2.gz WRRIZSMWAMRDSZ-UHFFFAOYSA-N 0 0 322.324 1.364 20 10 DDCDRN CCN(C(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C1CC1 ZINC001325141298 867814656 /nfs/dbraw/zinc/81/46/56/867814656.db2.gz KDORMHOCKCDHEK-LBPRGKRZSA-N 0 0 303.406 1.941 20 10 DDCDRN C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)NCc1ccc(N)cc1 ZINC001335724109 868497894 /nfs/dbraw/zinc/49/78/94/868497894.db2.gz GTNRIJIBNMRXHB-CZUORRHYSA-N 0 0 318.421 1.273 20 10 DDCDRN Nc1ccc(CNC(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)cc1 ZINC001336290907 868844767 /nfs/dbraw/zinc/84/47/67/868844767.db2.gz WOJRDYRMMIESSE-UONOGXRCSA-N 0 0 302.378 1.221 20 10 DDCDRN O=C1N[C@@H](c2ccc(N3CCCC3)cc2)N2CCSC[C@H]12 ZINC001336557409 869013594 /nfs/dbraw/zinc/01/35/94/869013594.db2.gz IZOUOSQAOHZBGF-HUUCEWRRSA-N 0 0 303.431 1.833 20 10 DDCDRN Nc1ccc(CNC(=O)N[C@@H]2CCN(c3ccccn3)C2)cc1 ZINC001336863635 869187783 /nfs/dbraw/zinc/18/77/83/869187783.db2.gz UAPZFPGGTNBKJP-OAHLLOKOSA-N 0 0 311.389 1.742 20 10 DDCDRN CC(=O)NC1CCC(N(C)C(=O)NCc2ccc(N)cc2)CC1 ZINC001337018037 869267377 /nfs/dbraw/zinc/26/73/77/869267377.db2.gz GWBYYZUGWSVXCG-UHFFFAOYSA-N 0 0 318.421 1.858 20 10 DDCDRN Nc1ccc(CNC(=O)N2CC[C@@H]3NC(=O)CC[C@H]3C2)cc1 ZINC001337020041 869268245 /nfs/dbraw/zinc/26/82/45/869268245.db2.gz XAHBDXTTYHHSFJ-JSGCOSHPSA-N 0 0 302.378 1.079 20 10 DDCDRN CCOC(=O)[C@H]1CCC[C@@H]1Oc1c(O)c(O)c(O)c(O)c1O ZINC001226465258 882450035 /nfs/dbraw/zinc/45/00/35/882450035.db2.gz RCSGTRMBRKMFIF-BQBZGAKWSA-N 0 0 314.290 1.325 20 10 DDCDRN CCOC(=O)[C@H]1CCC[C@H]1Oc1c(O)c(O)c(O)c(O)c1O ZINC001226465259 882450408 /nfs/dbraw/zinc/45/04/08/882450408.db2.gz RCSGTRMBRKMFIF-NKWVEPMBSA-N 0 0 314.290 1.325 20 10 DDCDRN COC(=O)[C@H]1CN(C)CCN1Cc1ccc(N2CCCC2)cc1 ZINC001204329103 871057970 /nfs/dbraw/zinc/05/79/70/871057970.db2.gz WYYPLGCFUVDCPD-QGZVFWFLSA-N 0 0 317.433 1.576 20 10 DDCDRN COC(=O)[C@@H]1CC(F)(F)CN1Cc1cc(O)c(O)c(OC)c1 ZINC001204345176 871066078 /nfs/dbraw/zinc/06/60/78/871066078.db2.gz IWEWJTYMLGDPBR-VIFPVBQESA-N 0 0 317.288 1.489 20 10 DDCDRN COc1ccc(N2CCN(C(=O)c3cnc(N)s3)CC2)cc1 ZINC001340773657 871342463 /nfs/dbraw/zinc/34/24/63/871342463.db2.gz ILUQXTYYZOORPR-UHFFFAOYSA-N 0 0 318.402 1.696 20 10 DDCDRN COC(=O)c1cc(NC(=O)N[C@@H](C)c2ccccc2O)nn1C ZINC001311109619 871674827 /nfs/dbraw/zinc/67/48/27/871674827.db2.gz QVADHXARBRIJQQ-VIFPVBQESA-N 0 0 318.333 1.795 20 10 DDCDRN COC(=O)c1cc(NC(=O)N2Cc3cccc(O)c3C2)n(C)n1 ZINC001311281122 871690990 /nfs/dbraw/zinc/69/09/90/871690990.db2.gz WUHPYINKIRNKTE-UHFFFAOYSA-N 0 0 316.317 1.460 20 10 DDCDRN C[C@H]1CCCN(C(=O)CCNC(=O)Cc2ccc(N)cc2)C1 ZINC001341949665 871908965 /nfs/dbraw/zinc/90/89/65/871908965.db2.gz LNJUJPLYWHRZQC-ZDUSSCGKSA-N 0 0 303.406 1.576 20 10 DDCDRN CCOC(=O)N1CCC[C@H](C(=O)NCc2ccc(N)cc2)C1 ZINC001342699656 872343022 /nfs/dbraw/zinc/34/30/22/872343022.db2.gz MXOXDRPDQIYLJZ-ZDUSSCGKSA-N 0 0 305.378 1.754 20 10 DDCDRN O=C(NCc1ccc(O)c(O)c1)c1ncoc1[C@@H]1CCCO1 ZINC001319249661 872520209 /nfs/dbraw/zinc/52/02/09/872520209.db2.gz RVSTUHCCCKTQLM-LBPRGKRZSA-N 0 0 304.302 1.867 20 10 DDCDRN CC[C@@H]1OCC[C@H]1NC(=O)C(=O)N(C)Cc1ccccc1O ZINC001345440092 873404983 /nfs/dbraw/zinc/40/49/83/873404983.db2.gz YFFPQBDYLRKTHE-OCCSQVGLSA-N 0 0 306.362 1.034 20 10 DDCDRN O=C1C=CSC1c1nnc(N2CCOCC2)n1CC1CC1 ZINC001346101387 873613745 /nfs/dbraw/zinc/61/37/45/873613745.db2.gz GLTGBCXSVWPVJU-UHFFFAOYSA-N 0 0 306.391 1.959 20 10 DDCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C)COCC ZINC001347152151 874033629 /nfs/dbraw/zinc/03/36/29/874033629.db2.gz CTHXFJRGTOAVGK-ZDUSSCGKSA-N 0 0 322.405 1.672 20 10 DDCDRN Cn1ncc2c1C[C@H](C(=O)NCc1cccc(O)c1O)CC2 ZINC001347234922 874067356 /nfs/dbraw/zinc/06/73/56/874067356.db2.gz RZNQVLDYDJWIPR-SNVBAGLBSA-N 0 0 301.346 1.253 20 10 DDCDRN CCC(CC)N1C[C@@H](C(=O)NCc2cccc(O)c2O)CC1=O ZINC001347531007 874175446 /nfs/dbraw/zinc/17/54/46/874175446.db2.gz OCFQRGXLNVGPGM-LBPRGKRZSA-N 0 0 320.389 1.751 20 10 DDCDRN CN(Cc1ccccc1O)C(=O)C(=O)N1CCCC[C@@H]1CCO ZINC001348097755 874358428 /nfs/dbraw/zinc/35/84/28/874358428.db2.gz CHIXUCVWFADEOU-CQSZACIVSA-N 0 0 320.389 1.114 20 10 DDCDRN O=C(NCc1cccc(O)c1O)[C@]1(C2CCCC2)CCNC1=O ZINC001349077982 874959243 /nfs/dbraw/zinc/95/92/43/874959243.db2.gz GVRVPIIMCMUOMO-KRWDZBQOSA-N 0 0 318.373 1.411 20 10 DDCDRN CS(=O)(=O)N(c1ccc(N)cc1)c1ccc(CO)c(F)c1 ZINC001210485578 875404888 /nfs/dbraw/zinc/40/48/88/875404888.db2.gz SVDAWGDOGWJWKA-UHFFFAOYSA-N 0 0 310.350 1.998 20 10 DDCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCc1cnn2c1CCCC2 ZINC001350717422 875854287 /nfs/dbraw/zinc/85/42/87/875854287.db2.gz NXAPLBUKPNGNQZ-FNORWQNLSA-N 0 0 313.357 1.960 20 10 DDCDRN CN(c1cc(F)ccc1N)S(=O)(=O)CCc1ccc(N)cc1 ZINC001214209220 876217387 /nfs/dbraw/zinc/21/73/87/876217387.db2.gz XDUPSGSOCQHAJV-UHFFFAOYSA-N 0 0 323.393 1.999 20 10 DDCDRN CCN(C[C@H]1CCCO1)C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001351827585 876448912 /nfs/dbraw/zinc/44/89/12/876448912.db2.gz KTLYTIKAVRUWEC-CYBMUJFWSA-N 0 0 318.373 1.262 20 10 DDCDRN Nc1ccc(CC(=O)NCC(=O)c2ccc(O)c(O)c2)cc1 ZINC001220489973 879056266 /nfs/dbraw/zinc/05/62/66/879056266.db2.gz NVJHFGPGXWFHQH-UHFFFAOYSA-N 0 0 300.314 1.222 20 10 DDCDRN C[C@H](NC(=O)NCCCON)c1ccc(N2CCOCC2)cc1 ZINC001357646417 880112772 /nfs/dbraw/zinc/11/27/72/880112772.db2.gz HIJNKOKEKHHSFD-ZDUSSCGKSA-N 0 0 322.409 1.164 20 10 DDCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](C)c2nnnn2C)c1 ZINC001357698198 880145527 /nfs/dbraw/zinc/14/55/27/880145527.db2.gz VHMLYIPPWZEJJQ-RKDXNWHRSA-N 0 0 320.353 1.046 20 10 DDCDRN C[C@H](O)C(=O)Oc1c(O)c(O)ccc1C(=O)c1ccc(O)cc1 ZINC001228115936 883343485 /nfs/dbraw/zinc/34/34/85/883343485.db2.gz SATGOQJPYLPWFV-QMMMGPOBSA-N 0 0 318.281 1.321 20 10 DDCDRN NC(=O)c1ccc(CNC(=O)N2Cc3cccc(O)c3C2)cn1 ZINC001230249612 884391403 /nfs/dbraw/zinc/39/14/03/884391403.db2.gz NHPYUWFFVWBYRX-UHFFFAOYSA-N 0 0 312.329 1.112 20 10 DDCDRN C[C@H]1c2nc(C(N)=O)cn2CCN1Cc1cc(Cl)ccc1O ZINC001277456802 884507919 /nfs/dbraw/zinc/50/79/19/884507919.db2.gz CNSHBNPKUVPURY-VIFPVBQESA-N 0 0 320.780 1.918 20 10 DDCDRN NC(=O)c1cn2c(n1)CN(Cc1cc(Cl)ccc1O)CC2 ZINC001277458848 884547789 /nfs/dbraw/zinc/54/77/89/884547789.db2.gz XIXGUGLHLYVHFM-UHFFFAOYSA-N 0 0 306.753 1.357 20 10 DDCDRN C[C@@H]1c2nc(C(N)=O)cn2CCN1Cc1c(O)cccc1F ZINC001277484710 885192077 /nfs/dbraw/zinc/19/20/77/885192077.db2.gz SAPVSXNLMSVFLJ-SECBINFHSA-N 0 0 304.325 1.404 20 10 DDCDRN O=C([O-])c1ccc(CN2CCO[C@@H](C[NH+]3CCCC3)C2)c(O)c1 ZINC001231453681 885671306 /nfs/dbraw/zinc/67/13/06/885671306.db2.gz OKEWZTPXIDPKQG-HNNXBMFYSA-N 0 0 320.389 1.387 20 10 DDCDRN O=C([O-])c1ccc(C[NH+]2CCN(c3ccncn3)CC2)c(O)c1 ZINC001231455453 885676797 /nfs/dbraw/zinc/67/67/97/885676797.db2.gz OITLLEMVGWVKTC-UHFFFAOYSA-N 0 0 314.345 1.203 20 10 DDCDRN O=C([O-])c1ccc(O)c(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)c1 ZINC001231565766 885735179 /nfs/dbraw/zinc/73/51/79/885735179.db2.gz BPOSRFSOGVQWHB-CYBMUJFWSA-N 0 0 302.334 1.519 20 10 DDCDRN O=C([O-])c1ccc(O)c(C[N@@H+]2CCC[C@]3(CCC(=O)O3)C2)c1 ZINC001231566396 885739353 /nfs/dbraw/zinc/73/93/53/885739353.db2.gz IFBDSYAZPZOWJX-INIZCTEOSA-N 0 0 305.330 1.762 20 10 DDCDRN CCOC(=O)[C@]12C[C@H]1CCN2Cc1cc(OC)c(O)cc1O ZINC001231633417 885770182 /nfs/dbraw/zinc/77/01/82/885770182.db2.gz OAOXZHMNOOIFQN-BZNIZROVSA-N 0 0 307.346 1.634 20 10 DDCDRN COc1cc(CN2CC(F)(F)C[C@]2(C)CO)c(O)cc1O ZINC001231634407 885773005 /nfs/dbraw/zinc/77/30/05/885773005.db2.gz MDFZIOLRWCMOKR-CYBMUJFWSA-N 0 0 303.305 1.698 20 10 DDCDRN CCOC(=O)[C@H]1CN(Cc2ccc(N(C)C)cc2OC)CCO1 ZINC001231853728 885907067 /nfs/dbraw/zinc/90/70/67/885907067.db2.gz PEULWYIDQMHLKV-MRXNPFEDSA-N 0 0 322.405 1.525 20 10 DDCDRN COC(=O)C[C@H]1COCCN1Cc1ccc(N(C)C)cc1OC ZINC001231855598 885910923 /nfs/dbraw/zinc/91/09/23/885910923.db2.gz WSJBEVFVZNDMQE-HNNXBMFYSA-N 0 0 322.405 1.525 20 10 DDCDRN CCOc1ccc(N2CCN(Cc3ccc(=O)[nH]n3)CC2)cc1 ZINC001232028304 886030035 /nfs/dbraw/zinc/03/00/35/886030035.db2.gz PGUZSZJEELDMPT-UHFFFAOYSA-N 0 0 314.389 1.903 20 10 DDCDRN CNC(=O)CN(C)Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232195076 886154474 /nfs/dbraw/zinc/15/44/74/886154474.db2.gz OZLSXNCFKRAITA-UHFFFAOYSA-N 0 0 311.813 1.354 20 10 DDCDRN COC(=O)[C@@]1(C)COCCN1Cc1cc(Cl)c(O)cc1O ZINC001232264563 886196761 /nfs/dbraw/zinc/19/67/61/886196761.db2.gz IZOHDXAZBZDMKR-CQSZACIVSA-N 0 0 315.753 1.515 20 10 DDCDRN COC(=O)C[C@@H]1CN(Cc2cc(Cl)c(O)cc2O)CCO1 ZINC001232266885 886199994 /nfs/dbraw/zinc/19/99/94/886199994.db2.gz FJLWCKSFKYWMAF-SNVBAGLBSA-N 0 0 315.753 1.515 20 10 DDCDRN COC(=O)c1c(CN2C[C@H](F)C[C@H]2CO)c2ccccc2n1C ZINC001232401856 886335994 /nfs/dbraw/zinc/33/59/94/886335994.db2.gz DSORSBKCMDBWIJ-NEPJUHHUSA-N 0 0 320.364 1.870 20 10 DDCDRN CN(C)c1ccc(CN2CCC(S(C)(=O)=O)CC2)c(O)c1 ZINC001232838295 886622629 /nfs/dbraw/zinc/62/26/29/886622629.db2.gz CSCAXYBHVNKNSI-UHFFFAOYSA-N 0 0 312.435 1.467 20 10 DDCDRN O=C(N1CCCC1)C12CC(C1)CN2Cc1cc(O)c(O)c(O)c1 ZINC001233011691 886724008 /nfs/dbraw/zinc/72/40/08/886724008.db2.gz IUPLDLJSDLADIS-UHFFFAOYSA-N 0 0 318.373 1.390 20 10 DDCDRN CC(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(F)c(F)c3[O-])C[C@H]21 ZINC001233077496 886774805 /nfs/dbraw/zinc/77/48/05/886774805.db2.gz QFZJTEUKJYZNIM-YABSGUDNSA-N 0 0 310.344 1.873 20 10 DDCDRN CS(=O)(=O)[C@H]1CCCN(Cc2c(O)ccc(F)c2F)C1 ZINC001233335922 886928666 /nfs/dbraw/zinc/92/86/66/886928666.db2.gz RFRJJTKZZVXPAL-VIFPVBQESA-N 0 0 305.346 1.679 20 10 DDCDRN 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CNC(=O)c1cnc2n1CCN(Cc1c(O)ccc(F)c1F)C2 ZINC001233333250 886929376 /nfs/dbraw/zinc/92/93/76/886929376.db2.gz OYGLLASCULWWCW-UHFFFAOYSA-N 0 0 322.315 1.242 20 10 DDCDRN C[C@]1(CO)C[N@H+](Cc2cccc(C(F)(F)F)c2[O-])CC[C@H]1O ZINC001233416077 886985996 /nfs/dbraw/zinc/98/59/96/886985996.db2.gz VTVOCSQPNCUILT-TZMCWYRMSA-N 0 0 319.323 1.976 20 10 DDCDRN COC(=O)C1CN(Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233728453 887253445 /nfs/dbraw/zinc/25/34/45/887253445.db2.gz XIUCHRBTPUQKBC-UHFFFAOYSA-N 0 0 305.252 1.896 20 10 DDCDRN CCOC(=O)[C@@H](Oc1nc[nH]c2cc(=O)c(O)cc1-2)C1CC1 ZINC001233949200 887494364 /nfs/dbraw/zinc/49/43/64/887494364.db2.gz ZJWJNBJWKPLJRQ-ZDUSSCGKSA-N 0 0 304.302 1.762 20 10 DDCDRN [O-]c1c(Br)cc(F)cc1CN1C[C@@H]2C[NH2+]C[C@@H]21 ZINC001236287209 889162993 /nfs/dbraw/zinc/16/29/93/889162993.db2.gz DDBDJJJITMXFJO-KWQFWETISA-N 0 0 301.159 1.697 20 10 DDCDRN COc1cc(O)c(CN2CC(O)(C(F)(F)F)C2)cc1OC ZINC001236749693 889330092 /nfs/dbraw/zinc/33/00/92/889330092.db2.gz LCCFKLRYHMKNOT-UHFFFAOYSA-N 0 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1.113 20 10 DDCDRN O=C(NCc1c(O)cccc1F)[C@H]1COCCN1CC(F)F ZINC000928708751 713469588 /nfs/dbraw/zinc/46/95/88/713469588.db2.gz SFADOGINFPVBRU-LLVKDONJSA-N 0 0 318.295 1.113 20 10 DDCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CC1(C)COC1 ZINC000929536361 713632889 /nfs/dbraw/zinc/63/28/89/713632889.db2.gz AONKPDSQLOZOQV-UHFFFAOYSA-N 0 0 318.417 1.908 20 10 DDCDRN CC(C)[C@H](NC(=O)NCc1c(O)cccc1F)c1nncn1C ZINC000922422097 714048211 /nfs/dbraw/zinc/04/82/11/714048211.db2.gz FWCMHLPFVLTXQX-ZDUSSCGKSA-N 0 0 321.356 1.856 20 10 DDCDRN O=C1C[C@H](CC[NH2+]Cc2cccc(Br)c2[O-])CN1 ZINC000922780417 714145497 /nfs/dbraw/zinc/14/54/97/714145497.db2.gz ATBUWBYWIUASRU-VIFPVBQESA-N 0 0 313.195 1.771 20 10 DDCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@H](CO)C[C@@H]1CCCO1 ZINC000923740754 714461938 /nfs/dbraw/zinc/46/19/38/714461938.db2.gz KIFDBLUPLBQHLH-VFQZCJPISA-N 0 0 307.346 1.157 20 10 DDCDRN Cc1cc(N(C)C)ccc1CNC(=O)Nc1nnn(C(C)C)n1 ZINC000933466618 714596818 /nfs/dbraw/zinc/59/68/18/714596818.db2.gz CTAXKGIUKVSKQB-UHFFFAOYSA-N 0 0 317.397 1.950 20 10 DDCDRN COc1ccc(N2CCN(C(=O)CC3(C)COC3)CC2)cc1F ZINC000934402509 714811758 /nfs/dbraw/zinc/81/17/58/714811758.db2.gz BAEHHNFWOWNDDL-UHFFFAOYSA-N 0 0 322.380 1.910 20 10 DDCDRN C[C@H](N[C@H]1CNOC1)c1ccc(N2CCOCC2)cc1Cl ZINC000925871144 714954959 /nfs/dbraw/zinc/95/49/59/714954959.db2.gz ODOCXUJAMUWAIW-RYUDHWBXSA-N 0 0 311.813 1.731 20 10 DDCDRN CC(=O)N1CCO[C@@H](C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000935466534 715062445 /nfs/dbraw/zinc/06/24/45/715062445.db2.gz ZILPJGYQNNYXSB-BLLLJJGKSA-N 0 0 319.405 1.177 20 10 DDCDRN CC[C@](C)(O)C(=O)NCc1cccc(Br)c1O ZINC000935663457 715112802 /nfs/dbraw/zinc/11/28/02/715112802.db2.gz SYWRNHSPXDWVAF-LBPRGKRZSA-N 0 0 302.168 1.932 20 10 DDCDRN