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ZINC000257323116 443146665 /nfs/dbraw/zinc/14/66/65/443146665.db2.gz WIVCBCNMTRPWGV-INIZCTEOSA-N 0 0 327.388 1.429 40 0 EDABRN CNC(=O)[C@@H]1CNCCN1C(=O)Cc1c(C)[nH]c2ccc(Cl)cc21 ZINC000257322893 443147139 /nfs/dbraw/zinc/14/71/39/443147139.db2.gz WHWAIWLNJSBDIJ-HNNXBMFYSA-N 0 0 348.834 1.219 40 0 EDABRN Cc1cccc(OC[C@H]2C[C@@H](NC(=O)NC3CCCC3)[C@H](O)[C@@H]2O)n1 ZINC000225504777 443108593 /nfs/dbraw/zinc/10/85/93/443108593.db2.gz ZPXHINBUOPDRGE-WNOSKKOXSA-N 0 0 349.431 1.121 40 0 biogenic,in-vitro EDABRN O=C(Cn1cccn1)N1CCCC[C@@H]1c1cc(=O)n2nccc2[nH]1 ZINC000257225539 443124379 /nfs/dbraw/zinc/12/43/79/443124379.db2.gz FGQXWZFBHPFOJW-CYBMUJFWSA-N 0 0 326.360 1.385 40 0 EDABRN CNC(=O)c1cccc([C@H]2CN(Cc3cnccn3)CCN2C)c1 ZINC000257228812 443125328 /nfs/dbraw/zinc/12/53/28/443125328.db2.gz FVIYHLIEGULNCW-QGZVFWFLSA-N 0 0 325.416 1.325 40 0 EDABRN CNc1nccnc1[C@H]1CN(S(=O)(=O)C2CCCCC2)CCO1 ZINC000257278829 443126592 /nfs/dbraw/zinc/12/65/92/443126592.db2.gz ODVHVDMBFZWBIB-CYBMUJFWSA-N 0 0 340.449 1.554 40 0 EDABRN CC(=O)N1[C@H]2CCN(C(=O)Cc3ccccc3C)C[C@@H]2C[C@]1(C)CO ZINC000257281618 443129596 /nfs/dbraw/zinc/12/95/96/443129596.db2.gz OQDLILSECQCTFC-CMKODMSKSA-N 0 0 344.455 1.758 40 0 EDABRN Cc1n[nH]c(C)c1CC(=O)N1CCOC[C@H](Cc2cc(C)ncn2)C1 ZINC000257283739 443130421 /nfs/dbraw/zinc/13/04/21/443130421.db2.gz OZRNDRBBUQWBKB-OAHLLOKOSA-N 0 0 343.431 1.385 40 0 EDABRN CNc1nccnc1[C@H]1CN(C(=O)CCc2cnn(C)c2C)CCO1 ZINC000257287440 443130975 /nfs/dbraw/zinc/13/09/75/443130975.db2.gz PPZLIJVSFGTMIR-CQSZACIVSA-N 0 0 344.419 1.093 40 0 EDABRN O=C(CCn1nnc2ccccc21)N1CCO[C@@H](c2cnccn2)C1 ZINC000257326253 443148760 /nfs/dbraw/zinc/14/87/60/443148760.db2.gz WWMJSGPFWIHUNC-MRXNPFEDSA-N 0 0 338.371 1.212 40 0 EDABRN CC(=O)N1CCN(C(=O)c2cnn3cccnc23)C[C@H]1c1ccccc1 ZINC000257328601 443150285 /nfs/dbraw/zinc/15/02/85/443150285.db2.gz XGKDMKMYWXGTOT-KRWDZBQOSA-N 0 0 349.394 1.775 40 0 EDABRN CNC(=O)c1cccc([C@@H]2CN(C(=O)c3cscn3)CCN2C)c1 ZINC000257334577 443152353 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O=C(c1cc[nH]n1)N1CC2(C1)OCC[C@H]2CCOCc1ccccn1 ZINC000306131378 444286238 /nfs/dbraw/zinc/28/62/38/444286238.db2.gz KCUZBIHOZMTOIF-CQSZACIVSA-N 0 0 342.399 1.643 40 0 EDABRN COc1ccc(-c2cnc3n2CCN(C(=O)c2ccnn2C)C3)cc1 ZINC000306140051 444287175 /nfs/dbraw/zinc/28/71/75/444287175.db2.gz UIHNGIITCHLWIK-UHFFFAOYSA-N 0 0 337.383 1.948 40 0 EDABRN O=C(c1cnccn1)N1CC2(C1)OCC[C@H]2COc1cccnc1 ZINC000306137975 444287189 /nfs/dbraw/zinc/28/71/89/444287189.db2.gz RLQBVKXKGFVYOE-ZDUSSCGKSA-N 0 0 326.356 1.182 40 0 EDABRN COc1cc2c(cc1OC)CN(c1cc(N[C@H](C)CO)ncn1)CC2 ZINC000328964920 444425935 /nfs/dbraw/zinc/42/59/35/444425935.db2.gz BYJSUEKWTDNXKW-GFCCVEGCSA-N 0 0 344.415 1.849 40 0 EDABRN OCCNc1nc(NCc2cccs2)cc(-c2ccncc2)n1 ZINC000329047786 444457439 /nfs/dbraw/zinc/45/74/39/444457439.db2.gz UHNHTACKYAEDOP-UHFFFAOYSA-N 0 0 327.413 1.460 40 0 EDABRN COc1cccc(Nc2cc(C(F)(F)F)nc(N[C@H](C)CO)n2)c1 ZINC000328991952 444436847 /nfs/dbraw/zinc/43/68/47/444436847.db2.gz ITPMBPNCGXYOLX-SECBINFHSA-N 0 0 342.321 1.884 40 0 EDABRN O=C(Nc1ncccn1)[C@@H]1C[C@H](O)CN1C(=O)OCc1ccccc1 ZINC000408739304 447680627 /nfs/dbraw/zinc/68/06/27/447680627.db2.gz ZLEVQOVSFCDULR-KBPBESRZSA-N 0 0 342.355 1.187 40 0 EDABRN CCOC(=O)COc1ccc([C@@H]2[NH2+]C[C@@H](C(=O)[O-])S2)cc1OC ZINC000408978532 447682025 /nfs/dbraw/zinc/68/20/25/447682025.db2.gz MRJBFSGIEUBUQY-GXTWGEPZSA-N 0 0 341.385 1.425 40 0 EDABRN CCNS(=O)(=O)c1ccc(CCC(=O)NC[C@@H]2CCCO2)cc1 ZINC000409389134 447683233 /nfs/dbraw/zinc/68/32/33/447683233.db2.gz GLILBJRSCLOJRJ-AWEZNQCLSA-N 0 0 340.445 1.213 40 0 EDABRN O=S1(=O)C=C[C@H](NC(=S)NCCc2c[nH]c3ccccc23)C1 ZINC000575422112 447857855 /nfs/dbraw/zinc/85/78/55/447857855.db2.gz MHWSXNGSPOEGMG-LBPRGKRZSA-N 0 0 335.454 1.485 40 0 EDABRN COCC(=O)N[C@H]1[C@H](c2ccccc2)N(C(=O)C2CC2)CC[C@@]1(C)O ZINC000514288696 448160650 /nfs/dbraw/zinc/16/06/50/448160650.db2.gz ACFWSICMZJCMLJ-JENIJYKNSA-N 0 0 346.427 1.252 40 0 biogenic,in-vitro EDABRN O=C(CCc1cncnc1)N1CC[C@]2(C[C@H]2C(=O)NC2CCC2)C1 ZINC000585101516 448685471 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Cc1cnn(C)c1-c1cnc2n1CCN(C(=O)[C@@H]1CCOC1)CC2 ZINC000585111660 448692390 /nfs/dbraw/zinc/69/23/90/448692390.db2.gz ZMAAAVBHUFBHIT-CYBMUJFWSA-N 0 0 329.404 1.013 40 0 EDABRN CNC(=O)CC[C@@]1(OC)CCCN(C(=O)c2ccnc(OC)c2)C1 ZINC000585277046 448722874 /nfs/dbraw/zinc/72/28/74/448722874.db2.gz JNZNNWCSZDQLEC-KRWDZBQOSA-N 0 0 335.404 1.238 40 0 EDABRN O=C(N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1O)c1cccc(F)c1 ZINC000585261611 448715874 /nfs/dbraw/zinc/71/58/74/448715874.db2.gz XYLXBTKBWVRBRC-NCOADZHNSA-N 0 0 331.343 1.497 40 0 EDABRN O=C(CCCn1cncn1)N1CC[C@@](O)(COc2cccc(F)c2)C1 ZINC000585274035 448718340 /nfs/dbraw/zinc/71/83/40/448718340.db2.gz YXPCTDSHIFGZJB-KRWDZBQOSA-N 0 0 348.378 1.240 40 0 EDABRN Cc1ccc(OC[C@@]2(O)COCCN(C(=O)c3c[nH]cn3)C2)cc1 ZINC000585276006 448720682 /nfs/dbraw/zinc/72/06/82/448720682.db2.gz KQQQCUIVGYXCIY-KRWDZBQOSA-N 0 0 331.372 1.001 40 0 EDABRN Cc1ccoc1C(=O)N1Cc2ncn(C)c2C[C@@H]1CN1CCOCC1 ZINC000585094866 448677286 /nfs/dbraw/zinc/67/72/86/448677286.db2.gz 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/nfs/dbraw/zinc/72/41/83/448724183.db2.gz UECVWKSXFGHBND-GDBMZVCRSA-N 0 0 335.429 1.678 40 0 EDABRN O=C(CCn1ccnc1)N1CCO[C@@](CO)(Cc2ccccc2)C1 ZINC000585278050 448725665 /nfs/dbraw/zinc/72/56/65/448725665.db2.gz PPXFFAWMBPINCI-SFHVURJKSA-N 0 0 329.400 1.106 40 0 EDABRN Cc1n[nH]c(C)c1CN1CCOC[C@](O)(COc2cccc(F)c2)C1 ZINC000585278096 448726279 /nfs/dbraw/zinc/72/62/79/448726279.db2.gz ZNMOKATVAKLBLL-SFHVURJKSA-N 0 0 349.406 1.808 40 0 EDABRN CCn1ncc(Cl)c1C(=O)N1CCC[C@@]1(COC)CC(N)=O ZINC000585278733 448726503 /nfs/dbraw/zinc/72/65/03/448726503.db2.gz ROYACGTTYFNGRC-AWEZNQCLSA-N 0 0 328.800 1.053 40 0 EDABRN CO[C@]1(CC(=O)N2CCc3ccccc32)COCCN(C(C)=O)C1 ZINC000585280407 448729356 /nfs/dbraw/zinc/72/93/56/448729356.db2.gz HVZDZSKHLZKJIG-SFHVURJKSA-N 0 0 332.400 1.230 40 0 EDABRN CC(=O)N1C[C@H](O)[C@@H](CC(=O)NCc2cccc(C(F)(F)F)c2)C1 ZINC000585279915 448729360 /nfs/dbraw/zinc/72/93/60/448729360.db2.gz HIXWVPZHYMLATJ-JSGCOSHPSA-N 0 0 344.333 1.551 40 0 EDABRN CNC(=O)C[C@@]1(OC)COCCN(C(=O)c2cccc(Cl)c2)C1 ZINC000585281055 448730784 /nfs/dbraw/zinc/73/07/84/448730784.db2.gz SCWXQZFYLDZHQM-INIZCTEOSA-N 0 0 340.807 1.334 40 0 EDABRN COc1ccc(CCC(=O)N(C)[C@@H]2COC[C@@H](OC)[C@H]2OC)cc1 ZINC000585288402 448734896 /nfs/dbraw/zinc/73/48/96/448734896.db2.gz ZRTWDIUBOLZTJY-NUJGCVRESA-N 0 0 337.416 1.515 40 0 EDABRN CSC1=NC(=O)C2=c3ccccc3=N[C@@H](c3ccc(C)o3)N2N1 ZINC000588225721 448886343 /nfs/dbraw/zinc/88/63/43/448886343.db2.gz RRHDDPDCWNQQCM-CQSZACIVSA-N 0 0 326.381 1.094 40 0 EDABRN CC(C)S(=O)(=O)N1CC2(C1)OCC[C@@H]2COc1ncccc1F ZINC000575403038 449090483 /nfs/dbraw/zinc/09/04/83/449090483.db2.gz HWOZRXYZJJQQJB-GFCCVEGCSA-N 0 0 344.408 1.429 40 0 EDABRN CCS(=O)(=O)N1CC2(C1)C[C@@H](OCc1cccc(C)n1)CS2 ZINC000575404632 449092554 /nfs/dbraw/zinc/09/25/54/449092554.db2.gz OYJVAZCWYUUXRP-CQSZACIVSA-N 0 0 342.486 1.816 40 0 EDABRN C[C@H]1C[C@H]1C(=O)N1C[C@H]2OC[C@H](CNC(=O)c3ccsc3)[C@H]2C1 ZINC000575405772 449092677 /nfs/dbraw/zinc/09/26/77/449092677.db2.gz TYFWDKBQZWANMJ-VNUKXSOBSA-N 0 0 334.441 1.607 40 0 EDABRN Cc1cccc(CO[C@H]2CCOC3(CN(C(=O)[C@H]4CCOC4)C3)C2)n1 ZINC000575406035 449092920 /nfs/dbraw/zinc/09/29/20/449092920.db2.gz VNWLIHKWWRHKJC-RDJZCZTQSA-N 0 0 346.427 1.703 40 0 EDABRN C[C@@H]1C[C@H]1C(=O)N1Cc2ccnn2[C@@H](C(=O)NCc2cccs2)C1 ZINC000575406016 449092996 /nfs/dbraw/zinc/09/29/96/449092996.db2.gz WQOSCJWVAKVRRW-KCPJHIHWSA-N 0 0 344.440 1.800 40 0 EDABRN CN1CCN(C(=O)c2ccc(-c3ccc4c(c3)OCO4)[nH]2)CC1=O ZINC000644149356 453081028 /nfs/dbraw/zinc/08/10/28/453081028.db2.gz FERCZBQTKAHRJF-UHFFFAOYSA-N 0 0 327.340 1.325 40 0 EDABRN CC(=O)Nc1cc(C(=O)N2CCO[C@@H](c3ccnc(C)n3)C2)ccn1 ZINC000257315923 534683247 /nfs/dbraw/zinc/68/32/47/534683247.db2.gz VDGRWDKUPRQLIN-OAHLLOKOSA-N 0 0 341.371 1.352 40 0 EDABRN COc1ccc(OC)c(-c2cc(C(=O)N3CC[C@H](CO)C3)[nH]n2)c1 ZINC000012143828 524788428 /nfs/dbraw/zinc/78/84/28/524788428.db2.gz TWWBPIREUZSKLP-NSHDSACASA-N 0 0 331.372 1.548 40 0 EDABRN O=C(c1cc[nH]n1)N1CCC2(C[C@H](OCc3cccnc3)CO2)CC1 ZINC000096073175 526650854 /nfs/dbraw/zinc/65/08/54/526650854.db2.gz AIPVMPYIYHNBTH-HNNXBMFYSA-N 0 0 342.399 1.785 40 0 EDABRN CCn1ncc(S(=O)(=O)N2CCC[C@@H]2c2cncc(C)n2)c1C ZINC000257290250 535828604 /nfs/dbraw/zinc/82/86/04/535828604.db2.gz QCDXJVFSFRBQGZ-CQSZACIVSA-N 0 0 335.433 1.836 40 0 EDABRN CCc1nnsc1C(=O)N1CCC[C@@H](Cc2nccnc2N)C1 ZINC000257209340 535865288 /nfs/dbraw/zinc/86/52/88/535865288.db2.gz BQAIGBZFCDMNSN-JTQLQIEISA-N 0 0 332.433 1.568 40 0 EDABRN CN(C)Cc1cncc([C@@H]2CCCN2C(=O)CCc2ccnn2C)n1 ZINC000257261196 536059413 /nfs/dbraw/zinc/05/94/13/536059413.db2.gz LGDBFCVZUQBORW-KRWDZBQOSA-N 0 0 342.447 1.568 40 0 EDABRN CCc1cc(C(=O)N2CC[C@H](O)[C@@H](Oc3cccnc3)CC2)no1 ZINC000257338363 536114291 /nfs/dbraw/zinc/11/42/91/536114291.db2.gz YXAJFJJBINPMRG-HOTGVXAUSA-N 0 0 331.372 1.677 40 0 EDABRN COCCNc1c(-c2ccc(OC)c(CO)c2)nc2cnccn21 ZINC000012113867 201825702 /nfs/dbraw/zinc/82/57/02/201825702.db2.gz VYAIVXXNGGJACG-UHFFFAOYSA-N 0 0 328.372 1.956 40 0 EDABRN COc1ccc(-c2ocnc2C(=O)N2CCC(C(N)=O)CC2)cc1 ZINC000012328870 201839965 /nfs/dbraw/zinc/83/99/65/201839965.db2.gz SSVQSFYOAFCAIG-UHFFFAOYSA-N 0 0 329.356 1.688 40 0 EDABRN Cc1nc2c(c(=O)[nH]1)C[C@@H]1CC[C@H](C2)N1C(=O)c1ccccc1F ZINC000019286337 202002902 /nfs/dbraw/zinc/00/29/02/202002902.db2.gz KPUUHMAJNFXTNN-NWDGAFQWSA-N 0 0 327.359 1.989 40 0 EDABRN CSc1ncc(CN2[C@@H]3CC[C@H]2CC(O)(c2nccn2C)C3)cn1 ZINC000019291467 202003028 /nfs/dbraw/zinc/00/30/28/202003028.db2.gz JYKCBCKCFRKIDE-VMZNBEPHSA-N 0 0 345.472 1.947 40 0 EDABRN O=C(Cc1ccccn1)N1CCC[C@H](c2cc(=O)nc3n2CCC3)C1 ZINC000019401204 202006943 /nfs/dbraw/zinc/00/69/43/202006943.db2.gz PSSPUQRSVQQHPI-AWEZNQCLSA-N 0 0 338.411 1.533 40 0 EDABRN O=C(c1cnccn1)N1CCO[C@H](c2nc(-c3ccccc3)no2)C1 ZINC000019374350 202007475 /nfs/dbraw/zinc/00/74/75/202007475.db2.gz ZRGQEMKJXFQJOR-AWEZNQCLSA-N 0 0 337.339 1.740 40 0 EDABRN C[C@@H]1C[C@H]1C(=O)NCCc1nc(N(C)C)ncc1-c1ccncc1 ZINC000019495869 202009364 /nfs/dbraw/zinc/00/93/64/202009364.db2.gz SNEYQXBWMAQRCD-TZMCWYRMSA-N 0 0 325.416 1.919 40 0 EDABRN Cc1c(-c2cc(C(=O)NCCSc3nccn3C)no2)cnn1C ZINC000019554138 202011277 /nfs/dbraw/zinc/01/12/77/202011277.db2.gz JRMBGQJKZIOPFR-UHFFFAOYSA-N 0 0 346.416 1.639 40 0 EDABRN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(Oc2cnccn2)CC1 ZINC000019658730 202014522 /nfs/dbraw/zinc/01/45/22/202014522.db2.gz DZBBKHCVWLMNTN-UHFFFAOYSA-N 0 0 337.405 1.049 40 0 EDABRN CNc1cc([C@@H]2CCCN(C(=O)COC)C2)nc(-c2cccnc2)n1 ZINC000019592159 202015759 /nfs/dbraw/zinc/01/57/59/202015759.db2.gz UVDMTCLLXHSEJQ-CQSZACIVSA-N 0 0 341.415 1.933 40 0 EDABRN CNC(=O)c1ccc([C@H]2CCCN2C(=O)c2nonc2C)nc1C ZINC000019711182 202017180 /nfs/dbraw/zinc/01/71/80/202017180.db2.gz ZSTSFMKSZROSCB-CYBMUJFWSA-N 0 0 329.360 1.418 40 0 EDABRN COC[C@H](C)NC(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000019930758 202027021 /nfs/dbraw/zinc/02/70/21/202027021.db2.gz ILSUYDLPLNPLLN-LBPRGKRZSA-N 0 0 340.445 1.211 40 0 EDABRN CC(C)CNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000020244998 202037257 /nfs/dbraw/zinc/03/72/57/202037257.db2.gz CGBRENSUSDCRGJ-UHFFFAOYSA-N 0 0 331.413 1.211 40 0 EDABRN O=C(NC1CC1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 ZINC000068933669 138197037 /nfs/dbraw/zinc/19/70/37/138197037.db2.gz XDUWVTYYOMFVNJ-QGZVFWFLSA-N 0 0 344.436 1.855 40 0 EDABRN CCC[C@@H](C)NC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000022230744 202081621 /nfs/dbraw/zinc/08/16/21/202081621.db2.gz HEJAIIBURFLGJH-GFCCVEGCSA-N 0 0 328.434 1.766 40 0 EDABRN CCCNC(=O)CN(C)S(=O)(=O)c1ccc(OCC)c(C)c1 ZINC000030320983 202195133 /nfs/dbraw/zinc/19/51/33/202195133.db2.gz GXJBQSYMDLTUSX-UHFFFAOYSA-N 0 0 328.434 1.540 40 0 EDABRN COC(=O)/C(=C/O[C@@H]1C=C(C)C(=O)O1)N1C(=O)c2ccccc2C1=O ZINC000039177618 202410894 /nfs/dbraw/zinc/41/08/94/202410894.db2.gz UBVNIMAEIBGUEL-FSBNRTBOSA-N 0 0 343.291 1.143 40 0 EDABRN CCN1CCN(C(=O)CCn2nc(C)c(Br)c2C)CC1 ZINC000022248068 212286095 /nfs/dbraw/zinc/28/60/95/212286095.db2.gz XMZOIWYJVPWNEZ-UHFFFAOYSA-N 0 0 343.269 1.817 40 0 EDABRN CNC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 ZINC000022278254 212288080 /nfs/dbraw/zinc/28/80/80/212288080.db2.gz HKVJJSQUMABKKJ-UHFFFAOYSA-N 0 0 334.397 1.637 40 0 EDABRN Cc1nn(CCC(=O)N[C@H](C)CN2CCOCC2)c(C)c1Cl ZINC000022241433 212285046 /nfs/dbraw/zinc/28/50/46/212285046.db2.gz SATPLSHZPLBORP-LLVKDONJSA-N 0 0 328.844 1.380 40 0 EDABRN COC[C@]1(N)[C@@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218101206 241298705 /nfs/dbraw/zinc/29/87/05/241298705.db2.gz UEGKXVRTHSEBQD-BZSNNMDCSA-N 0 0 347.436 1.979 40 0 EDABRN CCOC(=O)c1cc(C(C)=O)nn(-c2cc(C)ccc2OC)c1=O ZINC000225967678 242081122 /nfs/dbraw/zinc/08/11/22/242081122.db2.gz VSAOLBPRLXKABZ-UHFFFAOYSA-N 0 0 330.340 1.929 40 0 EDABRN CNC(=O)C[C@@H]1CN(C(=O)Cc2cccc(OC)c2)Cc2ccnn21 ZINC000247950388 243487658 /nfs/dbraw/zinc/48/76/58/243487658.db2.gz LPCNZEPRHBOCGC-OAHLLOKOSA-N 0 0 342.399 1.154 40 0 EDABRN Cc1c[nH]c([C@@H]2CN(Cc3cnn4c3nc(C)cc4C)CCO2)n1 ZINC000257204698 244129906 /nfs/dbraw/zinc/12/99/06/244129906.db2.gz AVXZVXNDMPASDF-HNNXBMFYSA-N 0 0 326.404 1.951 40 0 EDABRN CNC(=O)c1cccc([C@@H]2CN(C(=O)c3ccccn3)CCN2C)c1 ZINC000257204956 244131116 /nfs/dbraw/zinc/13/11/16/244131116.db2.gz AXARBWLPQMHJJH-KRWDZBQOSA-N 0 0 338.411 1.570 40 0 EDABRN Cc1c[nH]c([C@@H]2CN(C(=O)c3cc4nc(C)cc(C)n4n3)CCO2)n1 ZINC000257203606 244125642 /nfs/dbraw/zinc/12/56/42/244125642.db2.gz AQVPLZIRKUVMDJ-AWEZNQCLSA-N 0 0 340.387 1.591 40 0 EDABRN CN(C[C@]1(O)CCCN(c2cnccn2)C1)C(=O)Cc1ccsc1 ZINC000257207283 244137750 /nfs/dbraw/zinc/13/77/50/244137750.db2.gz BHBWGMFYSRCUAL-QGZVFWFLSA-N 0 0 346.456 1.571 40 0 EDABRN CCc1cc(C(=O)NC[C@@]2(O)CCCN(c3ccc(F)cn3)C2)on1 ZINC000257211425 244151964 /nfs/dbraw/zinc/15/19/64/244151964.db2.gz BYUPCDWTWXOGMZ-KRWDZBQOSA-N 0 0 348.378 1.532 40 0 EDABRN Cn1nccc1-c1cncc(C[C@@H]2CCCN(S(C)(=O)=O)C2)n1 ZINC000257212486 244154561 /nfs/dbraw/zinc/15/45/61/244154561.db2.gz CDRDGQFOAXTQNI-LBPRGKRZSA-N 0 0 335.433 1.091 40 0 EDABRN CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C(=O)Cn1cc(C)cn1)C2 ZINC000257213813 244161176 /nfs/dbraw/zinc/16/11/76/244161176.db2.gz CJEDYZKCPGEIPB-MJQMVNBJSA-N 0 0 344.459 1.972 40 0 EDABRN O=C(c1ccc(-n2cccn2)nc1)N1CCO[C@H](c2cnccn2)C1 ZINC000257224473 244193777 /nfs/dbraw/zinc/19/37/77/244193777.db2.gz FBZDAWNDWPFKGK-HNNXBMFYSA-N 0 0 336.355 1.271 40 0 EDABRN Cc1nccc([C@H]2CN(C(=O)COc3cccc(F)c3)CCO2)n1 ZINC000257223872 244194689 /nfs/dbraw/zinc/19/46/89/244194689.db2.gz DZHJLYITJZUNMW-MRXNPFEDSA-N 0 0 331.347 1.903 40 0 EDABRN O=C(c1ccc(-n2ccnc2)nc1)N1CCO[C@@H](c2cnccn2)C1 ZINC000257225563 244197310 /nfs/dbraw/zinc/19/73/10/244197310.db2.gz FGTFCIPZJISUIH-OAHLLOKOSA-N 0 0 336.355 1.271 40 0 EDABRN Cc1c(CN2C[C@@H]3OCC(=O)N(Cc4ccccc4)[C@H]3C2)cnn1C ZINC000257230648 244213880 /nfs/dbraw/zinc/21/38/80/244213880.db2.gz GDFOFPCWPWZKCW-ROUUACIJSA-N 0 0 340.427 1.340 40 0 EDABRN CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)c1cnc(C)cn1 ZINC000257242200 244249185 /nfs/dbraw/zinc/24/91/85/244249185.db2.gz IBMORRCVGDEALM-JXSMBQFASA-N 0 0 328.416 1.789 40 0 EDABRN CNC(=O)c1ccc([C@@H]2CN(CC3(O)CCCCC3)CCO2)nc1 ZINC000072388109 203211747 /nfs/dbraw/zinc/21/17/47/203211747.db2.gz OHZYRXIKMBOYKW-INIZCTEOSA-N 0 0 333.432 1.510 40 0 EDABRN CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)CN1CCOCC1 ZINC000257245282 244254945 /nfs/dbraw/zinc/25/49/45/244254945.db2.gz IOUVWPUTMZOELI-MJQMVNBJSA-N 0 0 349.475 1.099 40 0 EDABRN COc1ccc(S(=O)(=O)N(C)[C@@H]2CCCC[C@@H](OC)[C@@H]2O)cc1 ZINC000257237287 244231418 /nfs/dbraw/zinc/23/14/18/244231418.db2.gz HFVXLNOQVOLDQG-BZUAXINKSA-N 0 0 343.445 1.634 40 0 EDABRN Cc1noc(C)c1C(=O)N[C@@H](C)Cn1nc(-c2cccs2)oc1=O ZINC000072324274 203201451 /nfs/dbraw/zinc/20/14/51/203201451.db2.gz JRLIPPLOBVBAQD-QMMMGPOBSA-N 0 0 348.384 1.988 40 0 EDABRN CO[C@@H]1CC[C@@H](N(C)C(=O)COc2cccc3c2OC(C)(C)C3)[C@H]1O ZINC000257237405 244233545 /nfs/dbraw/zinc/23/35/45/244233545.db2.gz HGHOBNMLDCYNSD-CKEIUWERSA-N 0 0 349.427 1.776 40 0 EDABRN CC(=O)N1CCN(C(=O)c2cccc(=O)[nH]2)C[C@@H]1c1ccccc1 ZINC000257238524 244234713 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ROYACGTTYFNGRC-CQSZACIVSA-N 0 0 328.800 1.053 40 0 EDABRN CC(=O)N1CCC[C@H](NC(=O)c2cnc[nH]2)[C@@H]1Cc1cccc(F)c1 ZINC000585281346 448730436 /nfs/dbraw/zinc/73/04/36/448730436.db2.gz WKZGMEXIUTTWSI-RDJZCZTQSA-N 0 0 344.390 1.901 40 0 EDABRN Cc1nc[nH]c1C(=O)N1CC2(C1)C[C@H](Oc1cccnc1)CS2 ZINC000575403537 449091692 /nfs/dbraw/zinc/09/16/92/449091692.db2.gz GDLJOBSLYYPWPZ-ZDUSSCGKSA-N 0 0 330.413 1.892 40 0 EDABRN O=C([C@@H]1CCOC1)N1CC2(C1)C[C@@H](OCC1CCOCC1)CS2 ZINC000575403780 449091750 /nfs/dbraw/zinc/09/17/50/449091750.db2.gz OCECMXUFUFFMND-HUUCEWRRSA-N 0 0 341.473 1.553 40 0 EDABRN CC(C)CCC(=O)N1Cc2cccn2C[C@@H](OCC(=O)N(C)C)C1 ZINC000575405529 449093130 /nfs/dbraw/zinc/09/31/30/449093130.db2.gz IVBNEVGSCRLCCA-MRXNPFEDSA-N 0 0 335.448 1.740 40 0 EDABRN CCCCC(=O)N1Cc2ccnn2[C@@H](C(=O)NC2CC(F)(F)C2)C1 ZINC000575406240 449094090 /nfs/dbraw/zinc/09/40/90/449094090.db2.gz YJNLECYTSZEKPQ-CYBMUJFWSA-N 0 0 340.374 1.871 40 0 EDABRN COc1cc(N2CCN(c3ncnc4c3cnn4C)CC2)ccc1F ZINC000669968704 486535857 /nfs/dbraw/zinc/53/58/57/486535857.db2.gz BUTRDRLGFOMGBJ-UHFFFAOYSA-N 0 0 342.378 1.838 40 0 EDABRN Cc1noc(C)c1CC(=O)N1CCO[C@H](c2nc(C)cc(C)n2)C1 ZINC000257339934 526478756 /nfs/dbraw/zinc/47/87/56/526478756.db2.gz ZDVFTGNFLAKJAT-HNNXBMFYSA-N 0 0 330.388 1.841 40 0 EDABRN O=C(c1cnccn1)N1CC[C@@]2(C[C@@H](OCc3cccnc3)CO2)C1 ZINC000096072398 526884122 /nfs/dbraw/zinc/88/41/22/526884122.db2.gz CPSHPORSQIMZMJ-CRAIPNDOSA-N 0 0 340.383 1.462 40 0 EDABRN CCCS(=O)(=O)N1CCC[C@H](c2ccc3c(N)nn(C)c3n2)C1 ZINC000257267212 535298068 /nfs/dbraw/zinc/29/80/68/535298068.db2.gz MGJZCSPEWPEXSY-NSHDSACASA-N 0 0 337.449 1.470 40 0 EDABRN CCCn1nc(C)c(C(=O)N2CCO[C@H](c3cnccn3)C2)c1C ZINC000257223426 535621791 /nfs/dbraw/zinc/62/17/91/535621791.db2.gz DXIBPRHQTYYCNI-HNNXBMFYSA-N 0 0 329.404 1.914 40 0 EDABRN CCc1nnsc1C(=O)N1CCOC[C@H]1CCc1nccnc1C ZINC000257335161 535865998 /nfs/dbraw/zinc/86/59/98/535865998.db2.gz YIXVOXLBKDXEMK-GFCCVEGCSA-N 0 0 347.444 1.673 40 0 EDABRN CCc1cc(C(=O)N2CC[C@@H]3[C@H](C2)CCCC(=O)N3CCOC)on1 ZINC000257276268 536112591 /nfs/dbraw/zinc/11/25/91/536112591.db2.gz NTAYLMUWVYHECH-DZGCQCFKSA-N 0 0 349.431 1.727 40 0 EDABRN CN1C(=O)CCC[C@@H]2[C@H]1CCCN2S(=O)(=O)c1cccc(F)c1 ZINC000257219596 536307096 /nfs/dbraw/zinc/30/70/96/536307096.db2.gz DHIQNPHBMJVQIN-HUUCEWRRSA-N 0 0 340.420 1.990 40 0 EDABRN CCN(c1ccc(OCC(=O)NCC(C)C)cc1)S(C)(=O)=O ZINC000010009950 201792664 /nfs/dbraw/zinc/79/26/64/201792664.db2.gz QQRPLEBMFZZSQJ-UHFFFAOYSA-N 0 0 328.434 1.624 40 0 EDABRN COc1c2c(cc(C[C@H]3C[C@H](NC(C)C)C(=O)O3)c1OC)OCO2 ZINC000012401605 201844225 /nfs/dbraw/zinc/84/42/25/201844225.db2.gz GJCMIHNMGVKQCR-RYUDHWBXSA-N 0 0 337.372 1.657 40 0 EDABRN CCCC(=O)O[C@H]1[C@@H]([C@@H]2COC(C)(C)O2)O[C@H]2OC(C)(C)O[C@@H]21 ZINC000005781674 282597608 /nfs/dbraw/zinc/59/76/08/282597608.db2.gz NJJNAEMZQBLYRV-BQQXIIOZSA-N 0 0 330.377 1.726 40 0 EDABRN Cn1cc(CN(CCCN2CCOCC2)Cc2cccnc2)cn1 ZINC000019290618 202002134 /nfs/dbraw/zinc/00/21/34/202002134.db2.gz IGYUCRKYSKPYPC-UHFFFAOYSA-N 0 0 329.448 1.540 40 0 EDABRN CCc1cc(CNC(=O)Cn2nnc(-c3cccc(OC)c3)n2)on1 ZINC000019522803 202009917 /nfs/dbraw/zinc/00/99/17/202009917.db2.gz VKOJIMMHXGABEC-UHFFFAOYSA-N 0 0 342.359 1.216 40 0 EDABRN COCc1cc(=O)[nH]c([C@@H]2CCCN(C(=O)c3ccccn3)C2)n1 ZINC000019594296 202015803 /nfs/dbraw/zinc/01/58/03/202015803.db2.gz YVMUAMSREDQGGQ-GFCCVEGCSA-N 0 0 328.372 1.331 40 0 EDABRN CNc1cc(C(=O)N2CCO[C@@H](C(=O)NC3CCCC3)C2)ccn1 ZINC000019747775 202018202 /nfs/dbraw/zinc/01/82/02/202018202.db2.gz LRXPKJMDQAGEDQ-CQSZACIVSA-N 0 0 332.404 1.023 40 0 EDABRN COc1ccc(C(=O)N2CC[C@H](C(=O)Nc3ccccn3)C2)cn1 ZINC000019747626 202017827 /nfs/dbraw/zinc/01/78/27/202017827.db2.gz AADWJCPEPUDFJK-ZDUSSCGKSA-N 0 0 326.356 1.586 40 0 EDABRN CC(=O)N1CCC[C@@H]1c1nc(CN(C)C(=O)C(C)C)cc(N(C)C)n1 ZINC000019759924 202019186 /nfs/dbraw/zinc/01/91/86/202019186.db2.gz HVSBMZBDMCDFMM-OAHLLOKOSA-N 0 0 347.463 1.840 40 0 EDABRN CC[C@H](Oc1cccc(OC)c1)C(=O)NCCCN1CCOCC1 ZINC000020492967 202046849 /nfs/dbraw/zinc/04/68/49/202046849.db2.gz AGFHDUDGYBKRTB-KRWDZBQOSA-N 0 0 336.432 1.691 40 0 EDABRN CN(C)C(=O)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000022515925 202086762 /nfs/dbraw/zinc/08/67/62/202086762.db2.gz CLJXHAQRYKMBAN-INIZCTEOSA-N 0 0 338.473 1.749 40 0 EDABRN CS(=O)(=O)c1nsc(NC(=O)Cc2ccc(Cl)cc2)n1 ZINC000036626347 202328560 /nfs/dbraw/zinc/32/85/60/202328560.db2.gz KENDXPASGJPYQA-UHFFFAOYSA-N 0 0 331.806 1.776 40 0 EDABRN CCc1ccc([C@@H]2[C@H](S(C)(=O)=O)[C@@]2(COC)C(N)=S)cc1 ZINC000218494062 241326214 /nfs/dbraw/zinc/32/62/14/241326214.db2.gz YGJANHUYSDUOHE-IPYPFGDCSA-N 0 0 327.471 1.678 40 0 EDABRN CCS(=O)(=O)[C@H]1[C@H](c2ccc(Br)cc2)[C@@]1([NH3+])C(=O)[O-] ZINC000218207753 241305530 /nfs/dbraw/zinc/30/55/30/241305530.db2.gz IJSYYZNIRUEONY-NHCYSSNCSA-N 0 0 348.218 1.132 40 0 EDABRN COC(=O)c1cc(-c2cccs2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000223809724 241693335 /nfs/dbraw/zinc/69/33/35/241693335.db2.gz DTMJLLAZCLFFMG-VIFPVBQESA-N 0 0 326.399 1.758 40 0 EDABRN Cc1cccc(-c2noc(CCC(=O)N3CCC(C(N)=O)CC3)n2)c1 ZINC000225814346 242049874 /nfs/dbraw/zinc/04/98/74/242049874.db2.gz WJBBZTIQIRIFQS-UHFFFAOYSA-N 0 0 342.399 1.702 40 0 EDABRN CN(c1ccc(CC(=O)NCCc2ccccc2)cc1)S(C)(=O)=O ZINC000225976400 242083846 /nfs/dbraw/zinc/08/38/46/242083846.db2.gz AXBGUAYHXRPWHJ-UHFFFAOYSA-N 0 0 346.452 1.984 40 0 EDABRN Cc1cc(N2CCOCC2)nc(NC(=S)NC[C@@H]2CCCO2)n1 ZINC000225909458 242074612 /nfs/dbraw/zinc/07/46/12/242074612.db2.gz SBVMFQVZXSCPBN-LBPRGKRZSA-N 0 0 337.449 1.087 40 0 EDABRN Cc1ncc(C(=O)NC[C@]2(O)CCCN(c3ccccn3)C2)c(C)n1 ZINC000257207210 244136336 /nfs/dbraw/zinc/13/63/36/244136336.db2.gz BGUSZUOMOJQODD-GOSISDBHSA-N 0 0 341.415 1.250 40 0 EDABRN Cc1nc([C@@H]2CN(C(=O)Cc3ccc(F)c(F)c3)CCO2)cc(=O)[nH]1 ZINC000257199972 244114981 /nfs/dbraw/zinc/11/49/81/244114981.db2.gz ABMMQVGYTGTZOS-HNNXBMFYSA-N 0 0 349.337 1.911 40 0 EDABRN CO[C@@H]1CCC[C@@H](NC(=O)c2cc(C)n(-c3ccccc3)n2)[C@H]1O ZINC000257202129 244120434 /nfs/dbraw/zinc/12/04/34/244120434.db2.gz AKPRVIXZQXUBGP-DJIMGWMZSA-N 0 0 329.400 1.839 40 0 EDABRN CN(C)c1cccc([C@@H]2CN(C(=O)CCCn3ccnc3)CCO2)n1 ZINC000257202909 244124081 /nfs/dbraw/zinc/12/40/81/244124081.db2.gz ANWPBWSQRCIQTQ-INIZCTEOSA-N 0 0 343.431 1.724 40 0 EDABRN CS(=O)(=O)c1c[nH]nc1[C@@H]1CCN(C(=O)c2ccsc2)C1 ZINC000257208895 244142928 /nfs/dbraw/zinc/14/29/28/244142928.db2.gz BNZWCLLRIHKTPA-SECBINFHSA-N 0 0 325.415 1.504 40 0 EDABRN CNc1nccnc1C[C@H]1CCCN(C(=O)CCn2ccc(C)n2)C1 ZINC000257208711 244143484 /nfs/dbraw/zinc/14/34/84/244143484.db2.gz BNJAEFPFUUYUQX-OAHLLOKOSA-N 0 0 342.447 1.895 40 0 EDABRN Cc1c[nH]c([C@H]2COCCN2C(=O)c2cccc(-n3cnnc3)c2)n1 ZINC000257212329 244151776 /nfs/dbraw/zinc/15/17/76/244151776.db2.gz CCWFBPGESGOGMQ-OAHLLOKOSA-N 0 0 338.371 1.513 40 0 EDABRN Cc1nc([C@H]2CN(S(=O)(=O)c3cccs3)CCO2)cc(=O)[nH]1 ZINC000257219331 244176896 /nfs/dbraw/zinc/17/68/96/244176896.db2.gz DGKROPXYGINIFK-LLVKDONJSA-N 0 0 341.414 1.314 40 0 EDABRN CCc1noc(CCC(=O)N[C@@H]2CCCN(c3ccccn3)C2)n1 ZINC000257212972 244155893 /nfs/dbraw/zinc/15/58/93/244155893.db2.gz CFQOYBBUEPLLSF-CYBMUJFWSA-N 0 0 329.404 1.745 40 0 EDABRN O=C(c1noc2c1CCCC2)N1CCOC[C@@H](Cc2ccncn2)C1 ZINC000257212826 244157310 /nfs/dbraw/zinc/15/73/10/244157310.db2.gz CFCNXWWSDGTRJQ-ZDUSSCGKSA-N 0 0 342.399 1.675 40 0 EDABRN CC(=O)N1CCN(CC(=O)N2CCCCC2)C[C@@H]1c1ccccc1 ZINC000257216084 244166730 /nfs/dbraw/zinc/16/67/30/244166730.db2.gz CTAFIGVLTAFLSV-GOSISDBHSA-N 0 0 329.444 1.904 40 0 EDABRN Cc1cc(C(=O)N(C)C[C@]2(O)CCCN(c3ccc(F)cn3)C2)on1 ZINC000257223146 244191240 /nfs/dbraw/zinc/19/12/40/244191240.db2.gz DWCDJHMRSLGNMQ-QGZVFWFLSA-N 0 0 348.378 1.621 40 0 EDABRN CCc1nccn1CC(=O)N[C@@H]1CC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000257224581 244193837 /nfs/dbraw/zinc/19/38/37/244193837.db2.gz FCJWJGKETVDFSB-IIDMSEBBSA-N 0 0 329.400 1.533 40 0 EDABRN Cc1cc(C)nc([C@H]2CCN(C(=O)CN3CCCCCC3=O)C2)n1 ZINC000072369788 203209481 /nfs/dbraw/zinc/20/94/81/203209481.db2.gz MGYBMDXYSMIEMH-HNNXBMFYSA-N 0 0 330.432 1.812 40 0 EDABRN CN(C)S(=O)(=O)N1CCC(c2cccc(-n3ccnc3)n2)CC1 ZINC000072379196 203210723 /nfs/dbraw/zinc/21/07/23/203210723.db2.gz VOWOZWJEFGZIQL-UHFFFAOYSA-N 0 0 335.433 1.253 40 0 EDABRN Cc1nc(NCC[S@](C)=O)cc([C@H]2CN(C(C)C)CCO2)n1 ZINC000072387927 203211901 /nfs/dbraw/zinc/21/19/01/203211901.db2.gz PRAFRQOIYXTXTC-JLCFBVMHSA-N 0 0 326.466 1.357 40 0 EDABRN O=C(c1cnccn1)N1[C@@H]2CC[C@H]1CC(O)(c1cccnc1F)C2 ZINC000072337327 203202241 /nfs/dbraw/zinc/20/22/41/203202241.db2.gz KOBLMFIGAAJBKT-GTKHYJCHSA-N 0 0 328.347 1.666 40 0 EDABRN COCC(=O)N1CCC[C@H](c2ccc(Nc3cnccn3)cn2)C1 ZINC000072353298 203204355 /nfs/dbraw/zinc/20/43/55/203204355.db2.gz WIWAWZOVIUSEJN-ZDUSSCGKSA-N 0 0 327.388 1.968 40 0 EDABRN Cc1cnc(Nc2nccnc2[C@H]2CCCN(CC(N)=O)C2)s1 ZINC000072367858 203207499 /nfs/dbraw/zinc/20/74/99/203207499.db2.gz KYDDLDDLDZTNNI-NSHDSACASA-N 0 0 332.433 1.650 40 0 EDABRN Cc1ccsc1C(=O)N1C[C@@H](O)[C@H](N2CCC(F)(F)CC2)C1 ZINC000257251393 244270137 /nfs/dbraw/zinc/27/01/37/244270137.db2.gz JQOARLZRHWNHOI-VXGBXAGGSA-N 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/nfs/dbraw/zinc/72/54/10/448725410.db2.gz QDNFCKCEFWETAM-KRWDZBQOSA-N 0 0 334.347 1.789 40 0 EDABRN O=C(CCn1ccnc1)N1CCO[C@](CO)(Cc2ccccc2)C1 ZINC000585278049 448725597 /nfs/dbraw/zinc/72/55/97/448725597.db2.gz PPXFFAWMBPINCI-GOSISDBHSA-N 0 0 329.400 1.106 40 0 EDABRN CNC(=O)CC[C@H]1[C@@H](OC)CCCN1C(=O)c1ccc(OC)cc1 ZINC000585278778 448726915 /nfs/dbraw/zinc/72/69/15/448726915.db2.gz VEGXQKBZBOQULW-HOTGVXAUSA-N 0 0 334.416 1.841 40 0 EDABRN Cc1ncoc1C(=O)N1CCO[C@@](CO)(Cc2cccc(C)c2)C1 ZINC000585278786 448726929 /nfs/dbraw/zinc/72/69/29/448726929.db2.gz VGYWLHYHYRNGOY-SFHVURJKSA-N 0 0 330.384 1.738 40 0 EDABRN Cc1cnn(CC(=O)N2CC[C@H](Cc3ccccc3C)[C@H](O)C2)c1 ZINC000585278380 448727041 /nfs/dbraw/zinc/72/70/41/448727041.db2.gz DBTINWPBKWRWEV-QZTJIDSGSA-N 0 0 327.428 1.952 40 0 EDABRN CN(C(=O)c1cc2cc(F)ccc2n1C)[C@@H]1CC[C@@H](C(N)=O)[C@@H]1O ZINC000585280141 448729007 /nfs/dbraw/zinc/72/90/07/448729007.db2.gz BECANGJOZHIBHR-KYOSRNDESA-N 0 0 333.363 1.014 40 0 EDABRN Cc1cn(CC(=O)NC[C@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)nn1 ZINC000585286238 448732652 /nfs/dbraw/zinc/73/26/52/448732652.db2.gz VPVCNCYVWNYKID-QGPMSJSTSA-N 0 0 344.415 1.311 40 0 EDABRN Cn1nccc1/C=C/C(=O)N1CCC[C@]12CC(C)(C)O[C@H]2CC(N)=O ZINC000585287983 448733355 /nfs/dbraw/zinc/73/33/55/448733355.db2.gz KRISAPQXIKTHPQ-MVWKGKBHSA-N 0 0 346.431 1.237 40 0 EDABRN CC(=O)N1CC[C@@H]2[C@@H](C1)CCCCN2C(=O)/C=C/c1cnn(C)c1 ZINC000585289383 448734696 /nfs/dbraw/zinc/73/46/96/448734696.db2.gz FOTNISYWBBORPN-KGVXHEBISA-N 0 0 330.432 1.683 40 0 EDABRN CC(C)C(=O)N1CC2(C1)CC[C@@H](CNC(=O)c1cccnc1)CO2 ZINC000575404532 449092373 /nfs/dbraw/zinc/09/23/73/449092373.db2.gz NSDOWJXKWNRLKA-AWEZNQCLSA-N 0 0 331.416 1.475 40 0 EDABRN CCCS(=O)(=O)N1CC2(C1)C[C@@H](OCc1ccncc1)CS2 ZINC000575405728 449092689 /nfs/dbraw/zinc/09/26/89/449092689.db2.gz UZSWCLCEGDYXAV-CQSZACIVSA-N 0 0 342.486 1.898 40 0 EDABRN CCCC(=O)N1Cc2ccnn2[C@@H](CNC(=O)c2cscn2)C1 ZINC000575405848 449093178 /nfs/dbraw/zinc/09/31/78/449093178.db2.gz JZTJHYSLYZXSSH-LBPRGKRZSA-N 0 0 333.417 1.453 40 0 EDABRN C[C@@H]1C[C@H]1C(=O)N1C[C@H]2OC[C@@H](CNC(=O)c3cscn3)[C@H]2C1 ZINC000575406871 449094185 /nfs/dbraw/zinc/09/41/85/449094185.db2.gz WQVIMMXCNZCUEI-CBLPJQPBSA-N 0 0 335.429 1.002 40 0 EDABRN CC(C)[C@H](C)NC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000225199707 485814315 /nfs/dbraw/zinc/81/43/15/485814315.db2.gz QGROLBVRFXBUGF-ZDUSSCGKSA-N 0 0 327.450 1.460 40 0 EDABRN CC(=O)N1CCO[C@@](C)(C(=O)NCc2c(F)cccc2Cl)C1 ZINC000257223757 534800143 /nfs/dbraw/zinc/80/01/43/534800143.db2.gz DYRPJGHKVDDUGO-OAHLLOKOSA-N 0 0 328.771 1.733 40 0 EDABRN CCCNS(=O)(=O)c1ccc(OCC(=O)NCC(C)(C)C)cc1 ZINC000226085779 535184910 /nfs/dbraw/zinc/18/49/10/535184910.db2.gz LDYKDLFHFZPATM-UHFFFAOYSA-N 0 0 342.461 1.916 40 0 EDABRN CCc1cc(C(=O)N(C)C[C@]2(O)CCCN(c3cnccn3)C2)on1 ZINC000257260005 536098817 /nfs/dbraw/zinc/09/88/17/536098817.db2.gz LAYVTENKRKGLJC-QGZVFWFLSA-N 0 0 345.403 1.131 40 0 EDABRN CNC(=O)[C@H]1CN(C(=O)c2coc(C)n2)CCN1Cc1ccccc1 ZINC000257334948 536398091 /nfs/dbraw/zinc/39/80/91/536398091.db2.gz YHYZTOJVHNNJFF-MRXNPFEDSA-N 0 0 342.399 1.056 40 0 EDABRN CNc1cnc(C[C@H]2CCCN(C(=O)c3ccncn3)CC2)cn1 ZINC000257253462 536421814 /nfs/dbraw/zinc/42/18/14/536421814.db2.gz JZAVIKPFUGSNRK-ZDUSSCGKSA-N 0 0 326.404 1.793 40 0 EDABRN CNc1ncc(C[NH2+][C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cn1 ZINC000218761977 536424109 /nfs/dbraw/zinc/42/41/09/536424109.db2.gz LGXGPDAATDLTGR-HNNXBMFYSA-N 0 0 325.372 1.785 40 0 EDABRN COCCNC(=O)c1cn2c(n1)[C@@H](C)N(Cc1cc(C)on1)CC2 ZINC000247943830 536891625 /nfs/dbraw/zinc/89/16/25/536891625.db2.gz VPNXUITUPYHADC-GFCCVEGCSA-N 0 0 333.392 1.133 40 0 EDABRN