smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(=O)[nH]cc1C(=O)N[C@H]1CCOC2(CCCC2)C1 ZINC000159912910 361930374 /nfs/dbraw/zinc/93/03/74/361930374.db2.gz XVYNNUXSCWOBMH-LBPRGKRZSA-N 0 0 290.363 1.905 10 70 CDIERN CN(C)c1ccc(NC(=O)NCCc2cscn2)cn1 ZINC000159594982 539114445 /nfs/dbraw/zinc/11/44/45/539114445.db2.gz MOLHWGGYMIJMPV-UHFFFAOYSA-N 0 0 291.380 1.968 10 70 CDIERN CC(=O)N[C@H](C(=O)Nc1cc(C2CC2)nc(C)n1)C(C)C ZINC000159917109 539115041 /nfs/dbraw/zinc/11/50/41/539115041.db2.gz QJDUUMJZYJRTRY-AWEZNQCLSA-N 0 0 290.367 1.762 10 70 CDIERN C[C@H]1CC[C@@H](CCC(=O)N2CCC(OCCCO)CC2)O1 ZINC000160123484 539115414 /nfs/dbraw/zinc/11/54/14/539115414.db2.gz WPTRESLWPFOEKK-ZFWWWQNUSA-N 0 0 299.411 1.724 10 70 CDIERN CCc1c(C(=O)Nc2nccs2)[nH]c(C)c1C(N)=O ZINC000160030802 529490826 /nfs/dbraw/zinc/49/08/26/529490826.db2.gz XWCRABJQEJPNAQ-UHFFFAOYSA-N 0 0 278.337 1.693 10 70 CDIERN O=C(C[C@H]1OCCc2ccccc21)NC1(CO)CC1 ZINC000160212099 342371627 /nfs/dbraw/zinc/37/16/27/342371627.db2.gz XWDPTBFTFYOQKU-CYBMUJFWSA-N 0 0 261.321 1.332 10 70 CDIERN CN(C)c1ncccc1CNC(=O)N1CCC[C@@](C)(O)C1 ZINC000160294504 529814102 /nfs/dbraw/zinc/81/41/02/529814102.db2.gz MVBBWMPQVFSWES-OAHLLOKOSA-N 0 0 292.383 1.204 10 70 CDIERN Cc1cc(NC(=O)c2cc(S(C)(=O)=O)cs2)nn1C ZINC000159554007 362304081 /nfs/dbraw/zinc/30/40/81/362304081.db2.gz MMYNPPAAWQESCZ-UHFFFAOYSA-N 0 0 299.377 1.446 10 70 CDIERN CC(C)n1cnnc1SCC(=O)N[C@H](C)[C@@H](C)CO ZINC000160374467 362418680 /nfs/dbraw/zinc/41/86/80/362418680.db2.gz DKGARAJULOYRGL-VHSXEESVSA-N 0 0 286.401 1.084 10 70 CDIERN COc1ccc([S@@](=O)C[C@@H](C)CS(C)(=O)=O)cc1 ZINC000161050915 362516079 /nfs/dbraw/zinc/51/60/79/362516079.db2.gz OMYPUZYXDNQSGF-BMLIUANNSA-N 0 0 290.406 1.484 10 70 CDIERN CCn1nc(C)cc1C(=O)Nc1n[nH]c(-c2ccccn2)n1 ZINC000160899891 346666101 /nfs/dbraw/zinc/66/61/01/346666101.db2.gz OFENEGGUJQHHKV-UHFFFAOYSA-N 0 0 297.322 1.644 10 70 CDIERN O[C@H](C[C@@H]1COCCN1Cc1ncc[nH]1)c1ccco1 ZINC000159457097 188426103 /nfs/dbraw/zinc/42/61/03/188426103.db2.gz XFFORNKICJTUHU-VXGBXAGGSA-N 0 0 277.324 1.327 10 70 CDIERN CNC(=O)[C@H]1CCCN1C(=O)NC[C@@]1(C)CCCS1 ZINC000159811099 363330986 /nfs/dbraw/zinc/33/09/86/363330986.db2.gz WGYUFYQLPODNHC-ZWNOBZJWSA-N 0 0 285.413 1.192 10 70 CDIERN C[C@H](CSCCOC[C@H]1CCCO1)CS(C)(=O)=O ZINC000159815811 363343950 /nfs/dbraw/zinc/34/39/50/363343950.db2.gz CGPFEQWKIATKQX-VXGBXAGGSA-N 0 0 296.454 1.596 10 70 CDIERN CC(C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1C ZINC000159985299 363545854 /nfs/dbraw/zinc/54/58/54/363545854.db2.gz RVDZMPIPFKFADL-AGIUHOORSA-N 0 0 284.400 1.299 10 70 CDIERN COCCC1(CNC(=O)NC[C@H]2CCCC[C@H]2O)CC1 ZINC000161026952 237189904 /nfs/dbraw/zinc/18/99/04/237189904.db2.gz FFSHHMSVLHSKET-CHWSQXEVSA-N 0 0 284.400 1.653 10 70 CDIERN C[C@H](NC(=O)N1CCC[C@@](C)(O)C1)[C@@H]1CCCO1 ZINC000160453676 237175752 /nfs/dbraw/zinc/17/57/52/237175752.db2.gz NGFKPIUHBFWFHQ-GMXVVIOVSA-N 0 0 256.346 1.110 10 70 CDIERN O=C(NC1(CO)CC1)c1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC000160302653 363816302 /nfs/dbraw/zinc/81/63/02/363816302.db2.gz VMDXXTHWOJIZNC-UHFFFAOYSA-N 0 0 298.346 1.604 10 70 CDIERN Cc1ccc(OCCN(C)C(=O)C[C@H]2COC(=O)C2)cc1 ZINC000159675875 364249548 /nfs/dbraw/zinc/24/95/48/364249548.db2.gz CGVGROUWPJOQLG-CYBMUJFWSA-N 0 0 291.347 1.785 10 70 CDIERN CCC[C@@](C)(O)C(=O)N[C@@H](C)Cc1cc(C)n[nH]1 ZINC000159696884 364253057 /nfs/dbraw/zinc/25/30/57/364253057.db2.gz HIYJESNLLARIGQ-TVQRCGJNSA-N 0 0 253.346 1.316 10 70 CDIERN O=C(CNC(=O)c1cccnc1)NCC1(C2CC2)CC1 ZINC000159713008 364256247 /nfs/dbraw/zinc/25/62/47/364256247.db2.gz SODIOWCWSKIPCE-UHFFFAOYSA-N 0 0 273.336 1.118 10 70 CDIERN O=C(Cn1nnc(-c2ccccc2)n1)NCCC1=CCCC1 ZINC000160250021 364326166 /nfs/dbraw/zinc/32/61/66/364326166.db2.gz XOXMARAQCIRXIA-UHFFFAOYSA-N 0 0 297.362 1.957 10 70 CDIERN O=C(Nc1ccc(N2CCCC2=O)cc1)NC1(CO)CC1 ZINC000160314758 364333327 /nfs/dbraw/zinc/33/33/27/364333327.db2.gz UXGWQVKKTYLHBU-UHFFFAOYSA-N 0 0 289.335 1.460 10 70 CDIERN COCCOCCNC(=O)c1cc(C2CCCCC2)n[nH]1 ZINC000160042932 364298973 /nfs/dbraw/zinc/29/89/73/364298973.db2.gz KDENOTGPHVJXRZ-UHFFFAOYSA-N 0 0 295.383 1.850 10 70 CDIERN NC(=O)[C@@H]1CCC[C@@H](NS(=O)(=O)Cc2ccccc2)C1 ZINC000160202992 364318484 /nfs/dbraw/zinc/31/84/84/364318484.db2.gz KJLXMBOFPPALBE-CHWSQXEVSA-N 0 0 296.392 1.150 10 70 CDIERN CNC(=O)c1ccc(N[C@H]2CCO[C@@H](C3CC3)C2)nn1 ZINC000160444967 364354648 /nfs/dbraw/zinc/35/46/48/364354648.db2.gz HPHASOCWMNQWIF-CMPLNLGQSA-N 0 0 276.340 1.206 10 70 CDIERN COc1ccccc1/C(C)=C/C(=O)N(C)[C@@H](C)CO ZINC000160529284 364366927 /nfs/dbraw/zinc/36/69/27/364366927.db2.gz MHQQQZGJLVCCHN-ZKQHCESOSA-N 0 0 263.337 1.938 10 70 CDIERN Cc1ccccc1[S@@](=O)C[C@@H](C)CS(C)(=O)=O ZINC000161065314 364443314 /nfs/dbraw/zinc/44/33/14/364443314.db2.gz IVDCXESVGCBBII-QLJPJBMISA-N 0 0 274.407 1.783 10 70 CDIERN CC(C)n1nccc1C(=O)N(C)C[C@@H]1CCCO1 ZINC000160879592 364422595 /nfs/dbraw/zinc/42/25/95/364422595.db2.gz RIIPIPPDUUUSBQ-NSHDSACASA-N 0 0 251.330 1.715 10 70 CDIERN CCNC(=O)C1CN(C(=O)Cc2cccc(CC)c2)C1 ZINC000161301411 377564743 /nfs/dbraw/zinc/56/47/43/377564743.db2.gz MYMCSGZIZOFZJL-UHFFFAOYSA-N 0 0 274.364 1.386 10 70 CDIERN CCOCCC(=O)N1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000159495539 390975556 /nfs/dbraw/zinc/97/55/56/390975556.db2.gz FQFCGEGIVQUDEJ-OLZOCXBDSA-N 0 0 297.351 1.357 10 70 CDIERN C[C@@H]1CCC[C@@H](CNC(=O)C2=NNC(=O)CC2)C1 ZINC000218010197 140165512 /nfs/dbraw/zinc/16/55/12/140165512.db2.gz LBWFSPHIERSZNG-NXEZZACHSA-N 0 0 251.330 1.195 10 70 CDIERN CCC[C@H](O)CNC(=O)[C@@H](C)Oc1cccc(CO)c1 ZINC000160025031 292775753 /nfs/dbraw/zinc/77/57/53/292775753.db2.gz CMHZNSXWIFHDBU-YPMHNXCESA-N 0 0 281.352 1.223 10 70 CDIERN C[C@@H]1CC[C@@H](C(=O)N(C)c2ccc3c(c2)OCO3)O1 ZINC000160213051 292780636 /nfs/dbraw/zinc/78/06/36/292780636.db2.gz FFLDDALKOJRZDP-SKDRFNHKSA-N 0 0 263.293 1.946 10 70 CDIERN COc1cc(C(=O)NC2(CO)CC2)ccc1OC(C)C ZINC000160227707 292781297 /nfs/dbraw/zinc/78/12/97/292781297.db2.gz CTBJSVFWKIWFRO-UHFFFAOYSA-N 0 0 279.336 1.737 10 70 CDIERN CCCn1nccc1NC(=O)N(C)CCCC(=O)NC ZINC000160407756 292786391 /nfs/dbraw/zinc/78/63/91/292786391.db2.gz XDPICZTWADUJSP-UHFFFAOYSA-N 0 0 281.360 1.283 10 70 CDIERN Cc1[nH]c(=O)ccc1C(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000160134842 293349471 /nfs/dbraw/zinc/34/94/71/293349471.db2.gz HPICOCBJJCAMOQ-QWHCGFSZSA-N 0 0 276.336 1.879 10 70 CDIERN CC(C)CCS(=O)(=O)N1CCC(Cn2cccn2)CC1 ZINC000159423581 519676686 /nfs/dbraw/zinc/67/66/86/519676686.db2.gz YQGZBIDCXPLYHW-UHFFFAOYSA-N 0 0 299.440 1.971 10 70 CDIERN CCN(CCCO)C(=O)c1cc(=O)c2ccccc2[nH]1 ZINC000160561446 521035190 /nfs/dbraw/zinc/03/51/90/521035190.db2.gz RDHMJGBVPIKIFG-UHFFFAOYSA-N 0 0 274.320 1.373 10 70 CDIERN COC[C@@H](NC(=O)[C@@H]1CCn2ccnc2C1)c1ccccc1 ZINC000161180927 522339313 /nfs/dbraw/zinc/33/93/13/522339313.db2.gz IKRGQBBIPCLYAO-HUUCEWRRSA-N 0 0 299.374 1.949 10 70 CDIERN CCc1onc(C)c1C(=O)N1CCOC2(CCOCC2)C1 ZINC000161467530 523034736 /nfs/dbraw/zinc/03/47/36/523034736.db2.gz MVUHVNHKYJZKMY-UHFFFAOYSA-N 0 0 294.351 1.567 10 70 CDIERN COc1ccccc1N1CC[C@@H](NC(=O)C[C@H](C)OC)C1 ZINC000161064601 524568505 /nfs/dbraw/zinc/56/85/05/524568505.db2.gz KPDXCNZAARHBGU-QWHCGFSZSA-N 0 0 292.379 1.815 10 70 CDIERN Cc1ccc(NC(=O)N[C@H]2CCc3ncnn3C2)cc1F ZINC000161054077 525183302 /nfs/dbraw/zinc/18/33/02/525183302.db2.gz XXUBVCROPIWBPI-NSHDSACASA-N 0 0 289.314 1.862 10 70 CDIERN Cc1ccn(-c2ccccc2NC(=O)CN2CCCC2=O)n1 ZINC000161371402 525564152 /nfs/dbraw/zinc/56/41/52/525564152.db2.gz KWOYDJSUUQYDAZ-UHFFFAOYSA-N 0 0 298.346 1.742 10 70 CDIERN O=C(c1cc[nH]c(=O)c1)N1CC[C@H](Oc2cccnc2)C1 ZINC000161414850 526646071 /nfs/dbraw/zinc/64/60/71/526646071.db2.gz NDWNNJBIZKZFSD-ZDUSSCGKSA-N 0 0 285.303 1.063 10 70 CDIERN CCOc1ccc(C(=O)NC2(CO)CC2)cc1OCC ZINC000159823737 528396942 /nfs/dbraw/zinc/39/69/42/528396942.db2.gz GFLRAKIBUXQTNT-UHFFFAOYSA-N 0 0 279.336 1.739 10 70 CDIERN COC(=O)c1ccc(N2CCC([C@@H](C)O)CC2)nc1C ZINC000218013152 536730454 /nfs/dbraw/zinc/73/04/54/536730454.db2.gz OZZFNHUJKIJXNI-LLVKDONJSA-N 0 0 278.352 1.774 10 70 CDIERN C[C@H]1CCCN(S(=O)(=O)NCc2ccccc2CO)C1 ZINC000159771359 539114704 /nfs/dbraw/zinc/11/47/04/539114704.db2.gz RURJAAYAAIBXKB-LBPRGKRZSA-N 0 0 298.408 1.245 10 70 CDIERN O=C(CCc1ccc2c(c1)OCCO2)NC1(CO)CC1 ZINC000160385142 342373380 /nfs/dbraw/zinc/37/33/80/342373380.db2.gz QUTUVABDTIRQGE-UHFFFAOYSA-N 0 0 277.320 1.032 10 70 CDIERN COC(=O)CCN1CCN(C(=O)N2CCC(C)CC2)CC1 ZINC000159531054 362334229 /nfs/dbraw/zinc/33/42/29/362334229.db2.gz BDXFMDMUKNUFGA-UHFFFAOYSA-N 0 0 297.399 1.019 10 70 CDIERN Cc1cccc([S@](=O)C[C@@H](C)CS(C)(=O)=O)c1 ZINC000161067893 362545967 /nfs/dbraw/zinc/54/59/67/362545967.db2.gz WKHYOCSRCNBTGQ-BZNIZROVSA-N 0 0 274.407 1.783 10 70 CDIERN C[C@H](C[S@@](=O)c1ccc(Cl)cn1)CS(C)(=O)=O ZINC000161069265 362546635 /nfs/dbraw/zinc/54/66/35/362546635.db2.gz MWPIBCNQDKUZMG-BCTVWOGZSA-N 0 0 295.813 1.523 10 70 CDIERN C[C@H](CNC(=O)N[C@H](C)C(C)(C)C)CN1CCOCC1 ZINC000159794162 363313945 /nfs/dbraw/zinc/31/39/45/363313945.db2.gz HEFPHVIWGZIMGP-CHWSQXEVSA-N 0 0 285.432 1.689 10 70 CDIERN Cc1nc(CNC(=O)N2CCc3cccc(F)c3C2)no1 ZINC000159408652 358486365 /nfs/dbraw/zinc/48/63/65/358486365.db2.gz BLAGBHSLQQKBIC-UHFFFAOYSA-N 0 0 290.298 1.785 10 70 CDIERN Cc1cc(C[C@H](C)NC(=O)NC2C[C@@H](C)O[C@H](C)C2)[nH]n1 ZINC000160120178 363676466 /nfs/dbraw/zinc/67/64/66/363676466.db2.gz APDZKYYAQUPVBL-MVWJERBFSA-N 0 0 294.399 1.904 10 70 CDIERN CN(C)C(=O)c1ccc(NC(=O)NC2(CO)CC2)cc1 ZINC000160224417 363772732 /nfs/dbraw/zinc/77/27/32/363772732.db2.gz UKTOYXSJFYQFJS-UHFFFAOYSA-N 0 0 277.324 1.035 10 70 CDIERN Cc1ccc([C@@H](C)CNS(=O)(=O)N(C)C)cc1 ZINC000159690049 364251345 /nfs/dbraw/zinc/25/13/45/364251345.db2.gz DUQQWCSMTCGUGV-NSHDSACASA-N 0 0 256.371 1.495 10 70 CDIERN Cc1ccc(F)cc1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160250049 364326316 /nfs/dbraw/zinc/32/63/16/364326316.db2.gz IWZQCPJXWLINCC-AWEZNQCLSA-N 0 0 294.370 1.711 10 70 CDIERN CC(=O)N1CCc2cc(C(=O)N(C)[C@@H](C)CO)ccc21 ZINC000160492665 364361812 /nfs/dbraw/zinc/36/18/12/364361812.db2.gz QCJRLGYUDQZKBP-JTQLQIEISA-N 0 0 276.336 1.048 10 70 CDIERN CC(C)C[C@H](CO)NC(=O)[C@H]1CCCc2n[nH]cc21 ZINC000161075444 364443174 /nfs/dbraw/zinc/44/31/74/364443174.db2.gz FZOQIQLDUPADSW-MNOVXSKESA-N 0 0 265.357 1.353 10 70 CDIERN COC[C@H](O)CCNC(=O)/C=C(/C)c1cccc(OC)c1 ZINC000160929172 364429327 /nfs/dbraw/zinc/42/93/27/364429327.db2.gz WARGKHULXSMNDS-FWLQQBITSA-N 0 0 293.363 1.612 10 70 CDIERN O=C(Nc1cc(F)ccc1F)N[C@H]1CCc2ncnn2C1 ZINC000161292860 364474542 /nfs/dbraw/zinc/47/45/42/364474542.db2.gz LAIGZYPXCWWHTK-VIFPVBQESA-N 0 0 293.277 1.693 10 70 CDIERN CCC(C)(C)NC(=O)CN1CCOC[C@H]1c1nc(C)no1 ZINC000161083361 377130964 /nfs/dbraw/zinc/13/09/64/377130964.db2.gz DCIBPZWZZQIZNJ-NSHDSACASA-N 0 0 296.371 1.056 10 70 CDIERN CC(C)C[C@@H](CO)NC(=O)[C@@H](C)C1CCOCC1 ZINC000160968970 377138953 /nfs/dbraw/zinc/13/89/53/377138953.db2.gz LOLFZSRONDCEJO-AAEUAGOBSA-N 0 0 257.374 1.572 10 70 CDIERN CS[C@@H](C)CNC(=O)c1cnc2c(c1)ncn2C ZINC000160960062 377139031 /nfs/dbraw/zinc/13/90/31/377139031.db2.gz FKMWXPUHESZFOY-QMMMGPOBSA-N 0 0 264.354 1.450 10 70 CDIERN Cc1cc(C[C@H](C)NC(=O)c2ccc(C(N)=O)s2)[nH]n1 ZINC000161315067 377556305 /nfs/dbraw/zinc/55/63/05/377556305.db2.gz HOOGGADFBSVCHU-ZETCQYMHSA-N 0 0 292.364 1.240 10 70 CDIERN COc1ccc2nc(C(=O)N3CC(O)C3)ccc2c1 ZINC000161491537 377681601 /nfs/dbraw/zinc/68/16/01/377681601.db2.gz FCNPESSFLPEUSL-UHFFFAOYSA-N 0 0 258.277 1.060 10 70 CDIERN CO[C@H](C)c1nc(C)c(C(=O)N(C)[C@@H](C)CO)s1 ZINC000160390743 391509680 /nfs/dbraw/zinc/50/96/80/391509680.db2.gz HLYIAWRSVZZZEW-IONNQARKSA-N 0 0 272.370 1.612 10 70 CDIERN CC(C)(C)OC(=O)Cn1cnn(C(C)(C)C)c1=O ZINC000159614343 278377069 /nfs/dbraw/zinc/37/70/69/278377069.db2.gz MBVHHUVWRBPLIW-UHFFFAOYSA-N 0 0 255.318 1.142 10 70 CDIERN CSC[C@H](C)C(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000159983712 292774992 /nfs/dbraw/zinc/77/49/92/292774992.db2.gz NJXRSPVBSOHMPM-VIFPVBQESA-N 0 0 279.427 1.021 10 70 CDIERN Cc1c(CNC(=O)NCc2cccc(C)n2)cnn1C ZINC000160310028 292783199 /nfs/dbraw/zinc/78/31/99/292783199.db2.gz RLIGFBODWSVKHS-UHFFFAOYSA-N 0 0 273.340 1.431 10 70 CDIERN CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)N(C)[C@@H](C)CO)C1 ZINC000160416431 292786533 /nfs/dbraw/zinc/78/65/33/292786533.db2.gz VWGNKEBQPFXGRQ-FRRDWIJNSA-N 0 0 284.400 1.110 10 70 CDIERN COC(=O)c1csc(NC(=O)N(C)[C@@H]2CCOC2)c1 ZINC000160946408 292796640 /nfs/dbraw/zinc/79/66/40/292796640.db2.gz IRCDLTDHHVDPLC-SECBINFHSA-N 0 0 284.337 1.787 10 70 CDIERN O=C(CNC(=O)Cc1ccccc1)NCCC1=CCCC1 ZINC000161229994 292802464 /nfs/dbraw/zinc/80/24/64/292802464.db2.gz DNKZHWPGVCIDHC-UHFFFAOYSA-N 0 0 286.375 1.962 10 70 CDIERN CCOc1cc(C(=O)NCC[C@@H](O)COC)ccc1C ZINC000161350769 292804501 /nfs/dbraw/zinc/80/45/01/292804501.db2.gz QDIKESXFSQQPDV-CYBMUJFWSA-N 0 0 281.352 1.521 10 70 CDIERN CC1CCN(C(=O)N(CC(N)=O)C2CCCC2)CC1 ZINC000160436818 482801045 /nfs/dbraw/zinc/80/10/45/482801045.db2.gz FZIPKEXPGYXYKT-UHFFFAOYSA-N 0 0 267.373 1.568 10 70 CDIERN CC(C)OCCNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000160809346 482827834 /nfs/dbraw/zinc/82/78/34/482827834.db2.gz CFHBIWFAPWRTOT-TYNCELHUSA-N 0 0 284.400 1.060 10 70 CDIERN CCCn1nccc1NC(=O)CNC(=O)c1cccnc1 ZINC000160790541 521674818 /nfs/dbraw/zinc/67/48/18/521674818.db2.gz AXPBZJKFZJQXQN-UHFFFAOYSA-N 0 0 287.323 1.057 10 70 CDIERN CCc1nc(CN2CCC[C@H](c3nncn3CC)C2)no1 ZINC000161412223 522309212 /nfs/dbraw/zinc/30/92/12/522309212.db2.gz DLTRDEYXHUZYSB-NSHDSACASA-N 0 0 290.371 1.623 10 70 CDIERN COC[C@@H](O)CCNC(=O)[C@H](C)Cc1ccccc1 ZINC000161195990 522389769 /nfs/dbraw/zinc/38/97/69/522389769.db2.gz BZKCEJXKCRPRMX-OCCSQVGLSA-N 0 0 265.353 1.379 10 70 CDIERN O=C(Cc1cccc(C(F)(F)F)c1)NC1(CO)CC1 ZINC000159846638 534718949 /nfs/dbraw/zinc/71/89/49/534718949.db2.gz DZNMKRYXSOPIJH-UHFFFAOYSA-N 0 0 273.254 1.889 10 70 CDIERN C[C@H](NC(=O)c1ccccc1)C(=O)N1CCC(C)(O)CC1 ZINC000161252367 525235517 /nfs/dbraw/zinc/23/55/17/525235517.db2.gz XFPLIJLPFZGNKH-LBPRGKRZSA-N 0 0 290.363 1.178 10 70 CDIERN Cc1cc(Br)oc1C(=O)N(C)[C@@H](C)CO ZINC000160412475 526177131 /nfs/dbraw/zinc/17/71/31/526177131.db2.gz PVXBNANESPJDNQ-ZETCQYMHSA-N 0 0 276.130 1.803 10 70 CDIERN Cc1conc1NC(=O)C(=O)N1CCC[C@@H]1c1ccco1 ZINC000161222969 526297103 /nfs/dbraw/zinc/29/71/03/526297103.db2.gz PBVCYJGQUSJHEB-SNVBAGLBSA-N 0 0 289.291 1.878 10 70 CDIERN CCC[C@H](C(=O)N1CC[C@H]2OCCC[C@@H]2C1)[NH+](C)C ZINC000159706758 361804633 /nfs/dbraw/zinc/80/46/33/361804633.db2.gz UUHSBWHVWWFHPU-MGPQQGTHSA-N 0 0 268.401 1.744 10 70 CDIERN CCOC(=O)C[C@H](C)NC(=O)C1[C@@H]2CCCC[C@H]12 ZINC000160029670 362006112 /nfs/dbraw/zinc/00/61/12/362006112.db2.gz PDZBGZNKAJAHIR-HQFGAJJPSA-N 0 0 253.342 1.881 10 70 CDIERN CC(C)OC(=O)CCCNC(=O)N1CCS[C@@H](C)C1 ZINC000160151274 362039677 /nfs/dbraw/zinc/03/96/77/362039677.db2.gz TZYDCRAKWXIILO-NSHDSACASA-N 0 0 288.413 1.865 10 70 CDIERN CCCC(=O)NCC(=O)Nc1ccc(OC)c(N)c1 ZINC000161270240 362364781 /nfs/dbraw/zinc/36/47/81/362364781.db2.gz FDECXSCLGWOSJK-UHFFFAOYSA-N 0 0 265.313 1.132 10 70 CDIERN COc1ccccc1[S@@](=O)C[C@@H](C)CS(C)(=O)=O ZINC000161064233 362544356 /nfs/dbraw/zinc/54/43/56/362544356.db2.gz SPCDNCMZCAMYJY-BMLIUANNSA-N 0 0 290.406 1.484 10 70 CDIERN CCc1c(C(=O)NCCSC)[nH]c(C)c1C(N)=O ZINC000159653618 345252518 /nfs/dbraw/zinc/25/25/18/345252518.db2.gz VKYDFBBWUKTVGC-UHFFFAOYSA-N 0 0 269.370 1.077 10 70 CDIERN COC(=O)c1csc(NC(=O)C(=O)N[C@@H](C)C(C)C)c1 ZINC000159765835 345264269 /nfs/dbraw/zinc/26/42/69/345264269.db2.gz RJIJFHUOBFFPEZ-QMMMGPOBSA-N 0 0 298.364 1.634 10 70 CDIERN Cc1cc(OCC(=O)N(C)Cc2ccc(F)cc2)nn1C ZINC000159774135 188440937 /nfs/dbraw/zinc/44/09/37/188440937.db2.gz ILLHHWCAZZQVQA-UHFFFAOYSA-N 0 0 291.326 1.905 10 70 CDIERN C[C@H](NC(=O)N[C@@H]1CCC(=O)N(C)C1)c1cccc(O)c1 ZINC000159779093 188441227 /nfs/dbraw/zinc/44/12/27/188441227.db2.gz ZKXIWWOYISWPJB-CMPLNLGQSA-N 0 0 291.351 1.373 10 70 CDIERN Cc1cc(C[C@@H](C)NC(=O)N(C)CC2CCOCC2)[nH]n1 ZINC000160120322 363676291 /nfs/dbraw/zinc/67/62/91/363676291.db2.gz ZPAHBUGVGJLFKY-LLVKDONJSA-N 0 0 294.399 1.717 10 70 CDIERN O=C(CNC(=O)c1ccsc1)NCC1(C2CC2)CC1 ZINC000160237462 363790458 /nfs/dbraw/zinc/79/04/58/363790458.db2.gz KYQOTRWLFNEYHG-UHFFFAOYSA-N 0 0 278.377 1.784 10 70 CDIERN C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NC2(CO)CC2)c1 ZINC000160278729 363806616 /nfs/dbraw/zinc/80/66/16/363806616.db2.gz RIMGWWZSXREYNB-ZWNOBZJWSA-N 0 0 288.347 1.536 10 70 CDIERN O=C(C[C@@H]1COC(=O)C1)N[C@@H]1CCOC2(CCCC2)C1 ZINC000159525795 361730420 /nfs/dbraw/zinc/73/04/20/361730420.db2.gz LFVMQAIXXPVKOG-NWDGAFQWSA-N 0 0 281.352 1.548 10 70 CDIERN CN(CC(C)(C)CN1CCOCC1)C(=O)[C@]1(C)CCCO1 ZINC000160307221 363818247 /nfs/dbraw/zinc/81/82/47/363818247.db2.gz TWOHQQKLFQHFNA-INIZCTEOSA-N 0 0 298.427 1.372 10 70 CDIERN CC(C)N(C[C@H](C)O)C(=O)NCc1ccc(C(N)=O)cc1 ZINC000160567589 364026263 /nfs/dbraw/zinc/02/62/63/364026263.db2.gz TZHWKJHZYXMBDH-NSHDSACASA-N 0 0 293.367 1.086 10 70 CDIERN Cc1noc(CCNC(=O)NCCc2ccncc2C)n1 ZINC000160442881 364354264 /nfs/dbraw/zinc/35/42/64/364354264.db2.gz ZPOYZIWBSJNVHF-UHFFFAOYSA-N 0 0 289.339 1.166 10 70 CDIERN Cc1cnn(Cc2cc(C(=O)Nc3nccs3)no2)c1 ZINC000160656100 364534399 /nfs/dbraw/zinc/53/43/99/364534399.db2.gz UAUDDUVIHNFHMM-UHFFFAOYSA-N 0 0 289.320 1.937 10 70 CDIERN CCNC(=O)CNC(=O)C[C@H]1CCCC(C)(C)C1 ZINC000160271519 377044461 /nfs/dbraw/zinc/04/44/61/377044461.db2.gz WXAKVJHCSCJYNW-LLVKDONJSA-N 0 0 254.374 1.845 10 70 CDIERN C[C@@H](Oc1cccc(CO)c1)C(=O)N1C[C@@H](C)OC[C@H]1C ZINC000161431564 377620829 /nfs/dbraw/zinc/62/08/29/377620829.db2.gz KGNQJKXTRRKMBM-JHJVBQTASA-N 0 0 293.363 1.582 10 70 CDIERN NC(=O)[C@@H]1CCCCC[C@H]1NC(=O)NC1CCCC1 ZINC000161430681 377621641 /nfs/dbraw/zinc/62/16/41/377621641.db2.gz YPKNIAJVXCHOEE-VXGBXAGGSA-N 0 0 267.373 1.662 10 70 CDIERN CCOC(=O)C[C@H](C)NC(=O)[C@H]1CCCc2n[nH]cc21 ZINC000160391014 391509607 /nfs/dbraw/zinc/50/96/07/391509607.db2.gz YSWMMEFGNDVGKT-UWVGGRQHSA-N 0 0 279.340 1.288 10 70 CDIERN COc1ccc(C(=O)N2CCCC[C@H]2c2cn[nH]c2)nn1 ZINC000160286551 286273893 /nfs/dbraw/zinc/27/38/93/286273893.db2.gz VKOUQPPFDCTGQP-LBPRGKRZSA-N 0 0 287.323 1.576 10 70 CDIERN C[C@H](NC(=O)[C@@H]1CCC(=O)N1)c1ccccc1-n1cccn1 ZINC000159561819 292761873 /nfs/dbraw/zinc/76/18/73/292761873.db2.gz GZTSBWYRXYFGFD-AAEUAGOBSA-N 0 0 298.346 1.328 10 70 CDIERN CNC(=O)CC1CCN(C(=O)[C@@H]2CC2(C)C)CC1 ZINC000159771770 292768999 /nfs/dbraw/zinc/76/89/99/292768999.db2.gz HSMVUXOMNCXGNN-NSHDSACASA-N 0 0 252.358 1.407 10 70 CDIERN O=C(CCCNC(=O)NC1CCCCC1)NC1(CO)CC1 ZINC000160254358 292781875 /nfs/dbraw/zinc/78/18/75/292781875.db2.gz VBQPDDQDIODTHM-UHFFFAOYSA-N 0 0 297.399 1.040 10 70 CDIERN CCCN(C)C(=O)C(=O)Nc1c(C)onc1CC ZINC000160395235 292786389 /nfs/dbraw/zinc/78/63/89/292786389.db2.gz OEDKBWHGQRSXLN-UHFFFAOYSA-N 0 0 253.302 1.352 10 70 CDIERN C[C@@H](CO)N(C)C(=O)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000160424471 292786525 /nfs/dbraw/zinc/78/65/25/292786525.db2.gz FUGOIJHVVKDVPN-GUBZILKMSA-N 0 0 269.291 1.908 10 70 CDIERN O=C(CCC(=O)c1ccc(F)cc1F)NC1(CO)CC1 ZINC000160485925 292787574 /nfs/dbraw/zinc/78/75/74/292787574.db2.gz UTZQBQKTXMLEAU-UHFFFAOYSA-N 0 0 283.274 1.569 10 70 CDIERN CCO[C@H](C)c1nccn1Cc1nsc(N(C)C)n1 ZINC000161446662 292806081 /nfs/dbraw/zinc/80/60/81/292806081.db2.gz WYESKHDBJLXKER-SECBINFHSA-N 0 0 281.385 1.946 10 70 CDIERN CC(C)CCN(C(=O)N[C@@H]1CCc2ncnn2C1)C1CC1 ZINC000161023223 519649506 /nfs/dbraw/zinc/64/95/06/519649506.db2.gz SLTJEEUQTLTUAP-GFCCVEGCSA-N 0 0 291.399 1.813 10 70 CDIERN CCc1nc(CN2CCC[C@@H](c3nncn3CC)C2)no1 ZINC000161412357 522305367 /nfs/dbraw/zinc/30/53/67/522305367.db2.gz DLTRDEYXHUZYSB-LLVKDONJSA-N 0 0 290.371 1.623 10 70 CDIERN C[C@H](C1CC1)N(C)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000161218015 526201435 /nfs/dbraw/zinc/20/14/35/526201435.db2.gz XDNJSFZQBAJOOK-KOLCDFICSA-N 0 0 263.345 1.033 10 70 CDIERN CCC[C@](C)(O)C(=O)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000159591869 361744177 /nfs/dbraw/zinc/74/41/77/361744177.db2.gz DERCWECKMZGKLW-HOCLYGCPSA-N 0 0 293.363 1.843 10 70 CDIERN CC(=O)Nc1cccc(Cn2cnn(C(C)(C)C)c2=O)c1 ZINC000159621271 361757021 /nfs/dbraw/zinc/75/70/21/361757021.db2.gz WSFRHYUGZXDJFT-UHFFFAOYSA-N 0 0 288.351 1.807 10 70 CDIERN Cc1cc2ccccc2n1CC(=O)NC1(CO)CC1 ZINC000160523827 342072917 /nfs/dbraw/zinc/07/29/17/342072917.db2.gz XLKMEFOBBBMJAR-UHFFFAOYSA-N 0 0 258.321 1.591 10 70 CDIERN Cc1[nH]nc(C(C)C)c1C(=O)Nc1nncs1 ZINC000159590436 539114450 /nfs/dbraw/zinc/11/44/50/539114450.db2.gz DUTKJUCDAOIYQF-UHFFFAOYSA-N 0 0 251.315 1.945 10 70 CDIERN CCC(=O)N1CSC[C@H]1C(=O)NC1CC=CC1 ZINC000161010940 539117144 /nfs/dbraw/zinc/11/71/44/539117144.db2.gz YZRACZKAJRJUDF-JTQLQIEISA-N 0 0 254.355 1.133 10 70 CDIERN Cc1ccc(NC(=O)N2CCC(C(=O)N(C)C)CC2)cn1 ZINC000161407244 539117725 /nfs/dbraw/zinc/11/77/25/539117725.db2.gz OKDJSXWYYJETIN-UHFFFAOYSA-N 0 0 290.367 1.722 10 70 CDIERN Cc1ccc(-c2nc(NC(=O)[C@@H]3CC[C@H](C)O3)n[nH]2)o1 ZINC000160227239 362069454 /nfs/dbraw/zinc/06/94/54/362069454.db2.gz MUUKRIJPGDCLJJ-WPRPVWTQSA-N 0 0 276.296 1.879 10 70 CDIERN CCNC(=O)c1ccc(NC(=O)NC2(CO)CC2)cc1 ZINC000160944479 362223912 /nfs/dbraw/zinc/22/39/12/362223912.db2.gz YVQNGKJNMJWBNN-UHFFFAOYSA-N 0 0 277.324 1.083 10 70 CDIERN CCc1cc(C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)n(C)n1 ZINC000160431542 362424707 /nfs/dbraw/zinc/42/47/07/362424707.db2.gz TUHBFPRCMVCMGS-MLGOLLRUSA-N 0 0 291.395 1.750 10 70 CDIERN CCOC(=O)[C@H](N)C(=O)N(C)Cc1ccc(Cl)cc1 ZINC000159556426 345216369 /nfs/dbraw/zinc/21/63/69/345216369.db2.gz DXWBTLRXFUQFJK-LLVKDONJSA-N 0 0 284.743 1.189 10 70 CDIERN O=C(NC1(CO)CC1)c1cnc(-c2ccccn2)s1 ZINC000160205564 345639958 /nfs/dbraw/zinc/63/99/58/345639958.db2.gz NQZFXSCBEYQKRF-UHFFFAOYSA-N 0 0 275.333 1.460 10 70 CDIERN COC(=O)[C@@H](C)N[C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159818576 363344740 /nfs/dbraw/zinc/34/47/40/363344740.db2.gz CJIWNCXCOBQQSU-WDEREUQCSA-N 0 0 274.324 1.479 10 70 CDIERN COCc1csc(NC(=O)N2CCC[C@@H]([C@H](C)O)C2)n1 ZINC000159410503 358487916 /nfs/dbraw/zinc/48/79/16/358487916.db2.gz AWAPGJGERGDKKW-VHSXEESVSA-N 0 0 299.396 1.914 10 70 CDIERN Cc1cc(=O)[nH]c(-c2ccc(NC(=O)c3ccon3)cc2)n1 ZINC000161162312 358790028 /nfs/dbraw/zinc/79/00/28/358790028.db2.gz ZBYCAJVNLHICIC-UHFFFAOYSA-N 0 0 296.286 1.986 10 70 CDIERN CN(CCc1ncon1)C(=O)CCC(F)(F)F ZINC000217810169 359028405 /nfs/dbraw/zinc/02/84/05/359028405.db2.gz ACFYYVNNMLYQMV-UHFFFAOYSA-N 0 0 251.208 1.413 10 70 CDIERN O=C(NC1(CO)CC1)c1ccc(-n2cccn2)cc1 ZINC000159832015 237159771 /nfs/dbraw/zinc/15/97/71/237159771.db2.gz GWVWYNXGKYNJFJ-UHFFFAOYSA-N 0 0 257.293 1.127 10 70 CDIERN O=C(NC1(CO)CC1)c1cc(-c2ccccc2)on1 ZINC000160384998 237174300 /nfs/dbraw/zinc/17/43/00/237174300.db2.gz OCAHMHOXWIAGMP-UHFFFAOYSA-N 0 0 258.277 1.596 10 70 CDIERN O=C(NCCC[C@H]1CCCC[C@H]1O)Nc1cccnn1 ZINC000160524554 237178280 /nfs/dbraw/zinc/17/82/80/237178280.db2.gz KSCFDCCOWBDVQQ-VXGBXAGGSA-N 0 0 278.356 1.929 10 70 CDIERN C[C@H](CC(=O)NC1(CO)CC1)c1ccccc1F ZINC000160284995 363807902 /nfs/dbraw/zinc/80/79/02/363807902.db2.gz CVNOCJULLDDPIO-SNVBAGLBSA-N 0 0 251.301 1.960 10 70 CDIERN COc1nc(C)nc(NC[C@](C)(O)CSC)c1C ZINC000159402313 364200150 /nfs/dbraw/zinc/20/01/50/364200150.db2.gz REEAMLUFUGRFIV-LBPRGKRZSA-N 0 0 271.386 1.628 10 70 CDIERN COC(C)(C)C[C@H](C)NC(=O)CNC(=O)c1cccnc1 ZINC000160901287 364423673 /nfs/dbraw/zinc/42/36/73/364423673.db2.gz AJFWLKMAGQEWLD-NSHDSACASA-N 0 0 293.367 1.131 10 70 CDIERN CCCc1ccc(C(=O)NCC[C@@H](O)COC)cc1 ZINC000160908666 364425122 /nfs/dbraw/zinc/42/51/22/364425122.db2.gz TUAWNMZJRLQXPC-CQSZACIVSA-N 0 0 265.353 1.766 10 70 CDIERN O=C(Nc1nnc(C(F)F)s1)NC1(CO)CC1 ZINC000161418098 377605240 /nfs/dbraw/zinc/60/52/40/377605240.db2.gz RXURTLRGXXJKHJ-UHFFFAOYSA-N 0 0 264.257 1.122 10 70 CDIERN C[C@@H]([NH3+])C(=O)NCC1CCN(C(=O)c2ccccc2)CC1 ZINC000161186582 264272538 /nfs/dbraw/zinc/27/25/38/264272538.db2.gz ZGCJQKFZDKSFKZ-GFCCVEGCSA-N 0 0 289.379 1.002 10 70 CDIERN Cc1cc(C)n(-c2ccc(C(=O)NC3(CO)CC3)cc2)n1 ZINC000160257461 292782008 /nfs/dbraw/zinc/78/20/08/292782008.db2.gz QZYCPNVAWBBXID-UHFFFAOYSA-N 0 0 285.347 1.744 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)N(CC)CC1CC1 ZINC000160585757 292790700 /nfs/dbraw/zinc/79/07/00/292790700.db2.gz DBNVAGCUTYISBA-UHFFFAOYSA-N 0 0 279.340 1.742 10 70 CDIERN O=C(Nc1cccc(OC(F)F)c1)NC1(CO)CC1 ZINC000160722402 292793432 /nfs/dbraw/zinc/79/34/32/292793432.db2.gz OJCYLILCWRVZJV-UHFFFAOYSA-N 0 0 272.251 1.934 10 70 CDIERN COc1cc(OC)nc(N2CC[C@@]3(O)CCCC[C@@H]3C2)n1 ZINC000159815761 295014199 /nfs/dbraw/zinc/01/41/99/295014199.db2.gz YERYKZYUJQULGM-ABAIWWIYSA-N 0 0 293.367 1.625 10 70 CDIERN COC[C@H](NC(=O)[C@@H]1CCn2ccnc2C1)c1ccccc1 ZINC000161180814 522722580 /nfs/dbraw/zinc/72/25/80/522722580.db2.gz IKRGQBBIPCLYAO-CABCVRRESA-N 0 0 299.374 1.949 10 70 CDIERN CCn1cnnc1[C@@H]1CCCN(CC(=O)NC(C)(C)C)C1 ZINC000161318760 523595823 /nfs/dbraw/zinc/59/58/23/523595823.db2.gz XHQAZKKICPVFJI-GFCCVEGCSA-N 0 0 293.415 1.392 10 70 CDIERN CCn1cnnc1[C@@H]1CCCN(CC(=O)N2CCCC2)C1 ZINC000161422754 523596678 /nfs/dbraw/zinc/59/66/78/523596678.db2.gz UXUPFYWQHDRFMM-CYBMUJFWSA-N 0 0 291.399 1.100 10 70 CDIERN Cc1noc([C@@H]2COCCN2CCCOC(C)C)n1 ZINC000160924988 526658705 /nfs/dbraw/zinc/65/87/05/526658705.db2.gz MMZQSJTVBFZKJJ-LBPRGKRZSA-N 0 0 269.345 1.566 10 70 CDIERN CCC[C@@H]1CN(C(=O)c2cnc3c(c2)ncn3C)CCO1 ZINC000161010080 535434376 /nfs/dbraw/zinc/43/43/76/535434376.db2.gz VVRMWUUSLSTCSJ-GFCCVEGCSA-N 0 0 288.351 1.609 10 70 CDIERN CC[C@@H](C)NC(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000217286517 535586191 /nfs/dbraw/zinc/58/61/91/535586191.db2.gz VVAIJELZVADHPM-TZMCWYRMSA-N 0 0 289.379 1.885 10 70 CDIERN COC(=O)c1ccc(Cn2cnn(C(C)(C)C)c2=O)cc1 ZINC000159594640 361745912 /nfs/dbraw/zinc/74/59/12/361745912.db2.gz PCAAGBNWFCXUKJ-UHFFFAOYSA-N 0 0 289.335 1.635 10 70 CDIERN CC(C)Oc1ncc(C(=O)N(C)[C@@H](C)CO)cc1Cl ZINC000160473826 539116013 /nfs/dbraw/zinc/11/60/13/539116013.db2.gz NTWDVBGJQZCKGM-VIFPVBQESA-N 0 0 286.759 1.975 10 70 CDIERN CCCCn1nnnc1CN1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160748333 539116421 /nfs/dbraw/zinc/11/64/21/539116421.db2.gz XSKLEDQFZPTFKB-UKRRQHHQSA-N 0 0 293.415 1.600 10 70 CDIERN O=C(NC1(CO)CC1)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000160505222 342376159 /nfs/dbraw/zinc/37/61/59/342376159.db2.gz WSRBUUISCUHAGC-RHSMWYFYSA-N 0 0 271.360 1.922 10 70 CDIERN O=C(N[C@H]1CCOC1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000159387586 362317613 /nfs/dbraw/zinc/31/76/13/362317613.db2.gz WCWCZOPOKPWCSX-BDAKNGLRSA-N 0 0 266.263 1.759 10 70 CDIERN Cc1cccc(NC(=O)CN2CC[C@@H](O)[C@H](C)C2)c1 ZINC000159412425 362320369 /nfs/dbraw/zinc/32/03/69/362320369.db2.gz FXYXMXHJZCHSIF-TZMCWYRMSA-N 0 0 262.353 1.636 10 70 CDIERN COc1ccc(OCC(=O)N[C@@H](C)[C@H](C)CO)cc1 ZINC000160268534 362406213 /nfs/dbraw/zinc/40/62/13/362406213.db2.gz JUBUYVFLTYLQLU-MNOVXSKESA-N 0 0 267.325 1.207 10 70 CDIERN C[C@@H](CO)[C@H](C)NC(=O)c1ccnc2ccccc21 ZINC000160368209 362417611 /nfs/dbraw/zinc/41/76/11/362417611.db2.gz UFNAZNKHMCILGP-QWRGUYRKSA-N 0 0 258.321 1.982 10 70 CDIERN CCOc1c(F)cccc1C(=O)NC[C@H](C)CCO ZINC000161049139 362514359 /nfs/dbraw/zinc/51/43/59/362514359.db2.gz NKIDBOLKYPWBCZ-SNVBAGLBSA-N 0 0 269.316 1.973 10 70 CDIERN Cc1ccc(Br)c(C(=O)NC2COC2)c1 ZINC000161241297 365966764 /nfs/dbraw/zinc/96/67/64/365966764.db2.gz ARRSNDBCUQEVJQ-UHFFFAOYSA-N 0 0 270.126 1.886 10 70 CDIERN C[C@H](CO)N(C)C(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000160378194 188468703 /nfs/dbraw/zinc/46/87/03/188468703.db2.gz IHSLMKGPYREDGP-SECBINFHSA-N 0 0 291.269 1.967 10 70 CDIERN Cc1cc(OCc2nsc(N(C)C)n2)nn1C ZINC000159809888 363332098 /nfs/dbraw/zinc/33/20/98/363332098.db2.gz PGEMAVHCJSVMNS-UHFFFAOYSA-N 0 0 253.331 1.225 10 70 CDIERN CC1(C)CN(C(=O)CCc2cccnc2)CCS1(=O)=O ZINC000160052286 363620969 /nfs/dbraw/zinc/62/09/69/363620969.db2.gz HOCDTLWTZLFFBP-UHFFFAOYSA-N 0 0 296.392 1.050 10 70 CDIERN CC(C)CC[C@H]1CCC(=O)N(CCC(N)=O)C1=O ZINC000160120570 363675968 /nfs/dbraw/zinc/67/59/68/363675968.db2.gz WIJYLELGXURRAC-JTQLQIEISA-N 0 0 254.330 1.063 10 70 CDIERN CCc1cccc(OCC(=O)N[C@H](C)[C@H](C)CO)c1 ZINC000160270990 363795298 /nfs/dbraw/zinc/79/52/98/363795298.db2.gz NGPLUNLNTNHBKH-VXGBXAGGSA-N 0 0 265.353 1.761 10 70 CDIERN Cc1nn(C)c2ncc(C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)cc12 ZINC000159383759 361684319 /nfs/dbraw/zinc/68/43/19/361684319.db2.gz ACVMBNNPFJAABV-BETUJISGSA-N 0 0 299.378 1.243 10 70 CDIERN CCCNC(=O)c1cccc(C(=O)NC2(CO)CC2)c1 ZINC000160339883 363823800 /nfs/dbraw/zinc/82/38/00/363823800.db2.gz KJGLFKORABKYGO-UHFFFAOYSA-N 0 0 276.336 1.081 10 70 CDIERN Cn1nccc1CNC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000159759629 364262651 /nfs/dbraw/zinc/26/26/51/364262651.db2.gz GZNVLWRJHVPBOG-SWLSCSKDSA-N 0 0 292.383 1.257 10 70 CDIERN COC[C@H](C)C(=O)N(C)c1ccc2c(c1)OCO2 ZINC000160534252 364366939 /nfs/dbraw/zinc/36/69/39/364366939.db2.gz CMKVNNMFHOMBSM-VIFPVBQESA-N 0 0 251.282 1.661 10 70 CDIERN COC(=O)[C@@H](N[C@@H]1CCC(=O)N(C)C1)c1ccccc1 ZINC000161207628 367606703 /nfs/dbraw/zinc/60/67/03/367606703.db2.gz VTFYRPQFFRUECY-OCCSQVGLSA-N 0 0 276.336 1.111 10 70 CDIERN C[C@@]1(O)CCCN(C(=O)N[C@H]2COc3ccccc32)C1 ZINC000161296226 368373945 /nfs/dbraw/zinc/37/39/45/368373945.db2.gz JYXNRBOXAXULIX-SWLSCSKDSA-N 0 0 276.336 1.677 10 70 CDIERN C[C@@H](O)C[C@H]1CCCN1C(=O)c1cnc2c(c1)ncn2C ZINC000160970610 377139090 /nfs/dbraw/zinc/13/90/90/377139090.db2.gz ZOMCWWLGBJGGDK-ZYHUDNBSSA-N 0 0 288.351 1.344 10 70 CDIERN Cc1noc([C@@H]2COCCN2Cc2csc(C)n2)n1 ZINC000161060945 139912037 /nfs/dbraw/zinc/91/20/37/139912037.db2.gz MGIJMANXNNOFBR-NSHDSACASA-N 0 0 280.353 1.716 10 70 CDIERN CCC[C@@H](C)C(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000159969679 292774979 /nfs/dbraw/zinc/77/49/79/292774979.db2.gz VYVCBQLYFBTJBE-SNVBAGLBSA-N 0 0 261.387 1.458 10 70 CDIERN CCCN(CCC)C(=O)CS(=O)(=O)C1CCOCC1 ZINC000160036327 292776447 /nfs/dbraw/zinc/77/64/47/292776447.db2.gz OUUBMHOVZAUYAZ-UHFFFAOYSA-N 0 0 291.413 1.229 10 70 CDIERN Cc1ccc(F)c(OCC(=O)NC2(CO)CC2)c1 ZINC000160178108 292779200 /nfs/dbraw/zinc/77/92/00/292779200.db2.gz CGOVZBBLMFZHFH-UHFFFAOYSA-N 0 0 253.273 1.154 10 70 CDIERN Cc1cc(C)cc(OCC(=O)N[C@H](C)[C@H](C)CO)c1 ZINC000160343354 292784042 /nfs/dbraw/zinc/78/40/42/292784042.db2.gz YRKYKWNKMHUZTH-CHWSQXEVSA-N 0 0 265.353 1.815 10 70 CDIERN CC(C)C(=O)Nc1ccc(NC(=O)NC2(CO)CC2)cc1 ZINC000160383570 292785556 /nfs/dbraw/zinc/78/55/56/292785556.db2.gz MFWUSSIUNLVCTA-UHFFFAOYSA-N 0 0 291.351 1.928 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)N[C@H]1CCC[C@@H]1C ZINC000160507297 292788696 /nfs/dbraw/zinc/78/86/96/292788696.db2.gz YQPLUHAVXMZHJN-KWQFWETISA-N 0 0 279.340 1.789 10 70 CDIERN COCCC1(C(=O)N2CCN(C3CC3)CC2)CC1 ZINC000161041803 292798587 /nfs/dbraw/zinc/79/85/87/292798587.db2.gz HXIHHNVCTZDSII-UHFFFAOYSA-N 0 0 252.358 1.110 10 70 CDIERN CC[C@H]1CCCCCN1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000160809290 292794995 /nfs/dbraw/zinc/79/49/95/292794995.db2.gz AMZYEQYSIADYNZ-NEPJUHHUSA-N 0 0 288.413 1.538 10 70 CDIERN Cc1cc(NC(=O)[C@H](C)C2CCOCC2)nn1C ZINC000161173288 292801170 /nfs/dbraw/zinc/80/11/70/292801170.db2.gz HNXKWEGAFXBZCT-SNVBAGLBSA-N 0 0 251.330 1.730 10 70 CDIERN CCC[C@@H](NC(=O)CN1CCCC1=O)C(=O)OC(C)(C)C ZINC000161481348 520730499 /nfs/dbraw/zinc/73/04/99/520730499.db2.gz JCRJORVJJACSCL-LLVKDONJSA-N 0 0 298.383 1.235 10 70 CDIERN CCn1cnnc1[C@H]1CCCN(Cc2cc(C)on2)C1 ZINC000161304913 523607668 /nfs/dbraw/zinc/60/76/68/523607668.db2.gz HQJIAZDGBLZRKF-LBPRGKRZSA-N 0 0 275.356 1.974 10 70 CDIERN Cc1nnc2c(N3CC[C@]4(O)CCCC[C@@H]4C3)nccn12 ZINC000160648149 526409461 /nfs/dbraw/zinc/40/94/61/526409461.db2.gz OYBYTNDPJWEKBG-IUODEOHRSA-N 0 0 287.367 1.564 10 70 CDIERN Cc1noc([C@H]2COCCN2CCCn2ccnc2)n1 ZINC000161124472 526672470 /nfs/dbraw/zinc/67/24/70/526672470.db2.gz LCXGHSKFMPXFIO-GFCCVEGCSA-N 0 0 277.328 1.038 10 70 CDIERN NS(=O)(=O)N1CC=C(c2ccccc2F)CC1 ZINC000161157805 527296246 /nfs/dbraw/zinc/29/62/46/527296246.db2.gz HHQLHTUCINYRHE-UHFFFAOYSA-N 0 0 256.302 1.118 10 70 CDIERN CCC[C@@H]1CN(C(=O)N[C@@H](C)[C@@H]2CCCO2)CCO1 ZINC000159612058 527780183 /nfs/dbraw/zinc/78/01/83/527780183.db2.gz NDNFFFDUHVJRFS-XQQFMLRXSA-N 0 0 270.373 1.764 10 70 CDIERN C=C(C)C(=O)OCCC[SiH2]C(OCC)OCC ZINC000201206241 725252272 /nfs/dbraw/zinc/25/22/72/725252272.db2.gz BQQGVSONEPNPAB-UHFFFAOYSA-N 0 0 260.406 1.440 10 70 CDIERN CC(=O)NCC(=O)N[C@@H](C)c1ccccc1-n1cccn1 ZINC000159782520 361845944 /nfs/dbraw/zinc/84/59/44/361845944.db2.gz ZRFZICGSPRPERB-NSHDSACASA-N 0 0 286.335 1.186 10 70 CDIERN COCC(C)(C)C(=O)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000159973493 361983277 /nfs/dbraw/zinc/98/32/77/361983277.db2.gz FGPARVCYRQKRLP-CQSZACIVSA-N 0 0 293.363 1.965 10 70 CDIERN CCc1nnc(Sc2nc(C(C)(C)C)ns2)n1N ZINC000159994755 361993760 /nfs/dbraw/zinc/99/37/60/361993760.db2.gz ZIGXUFMZCSDVQB-UHFFFAOYSA-N 0 0 284.414 1.855 10 70 CDIERN Cc1nc(CNC(=O)N(C[C@@H](C)O)C(C)C)cs1 ZINC000159574092 539114384 /nfs/dbraw/zinc/11/43/84/539114384.db2.gz NNMXSZDWQDNUPG-SECBINFHSA-N 0 0 271.386 1.752 10 70 CDIERN CC[C@@]1(C)NC(=O)N(CC(=O)NCCC2=CCCC2)C1=O ZINC000160133471 529538291 /nfs/dbraw/zinc/53/82/91/529538291.db2.gz ACIUTDAENMYFGO-OAHLLOKOSA-N 0 0 293.367 1.324 10 70 CDIERN CN(C)c1ncccc1CNC(=O)N1CCC[C@](C)(O)C1 ZINC000160294385 529814110 /nfs/dbraw/zinc/81/41/10/529814110.db2.gz MVBBWMPQVFSWES-HNNXBMFYSA-N 0 0 292.383 1.204 10 70 CDIERN COC[C@@H](O)CCNC(=O)Nc1cccc([C@H](C)OC)c1 ZINC000160972944 362372538 /nfs/dbraw/zinc/37/25/38/362372538.db2.gz BWRBDPCCPGUUNG-FZMZJTMJSA-N 0 0 296.367 1.913 10 70 CDIERN C[C@@H](NC(=O)c1ccc(C(F)(F)F)nc1)[C@H](C)CO ZINC000160397701 362420516 /nfs/dbraw/zinc/42/05/16/362420516.db2.gz HKPPWFFKSNGJHS-HTQZYQBOSA-N 0 0 276.258 1.847 10 70 CDIERN O=C(Nc1nc[nH]n1)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000161021528 362475859 /nfs/dbraw/zinc/47/58/59/362475859.db2.gz KGAYUKJDXFDSDK-VXNVDRBHSA-N 0 0 264.235 1.825 10 70 CDIERN Cc1cc(NC(=O)[C@@H](C)C2CCOCC2)nn1C ZINC000161173168 362858113 /nfs/dbraw/zinc/85/81/13/362858113.db2.gz HNXKWEGAFXBZCT-JTQLQIEISA-N 0 0 251.330 1.730 10 70 CDIERN COc1ccc(N(C)C(=O)[C@H]2CNC(=O)C2)cc1Cl ZINC000160295597 188464805 /nfs/dbraw/zinc/46/48/05/188464805.db2.gz DWFDOQZCLBIBNW-MRVPVSSYSA-N 0 0 282.727 1.448 10 70 CDIERN O=C(c1ccc(F)nc1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160537675 188478880 /nfs/dbraw/zinc/47/88/80/188478880.db2.gz JNSQEPZILQGPGE-DOMZBBRYSA-N 0 0 278.327 1.988 10 70 CDIERN C[C@@H]1C[C@@H]1NC(=O)NCc1cn(C)nc1C(F)(F)F ZINC000160900223 188497550 /nfs/dbraw/zinc/49/75/50/188497550.db2.gz YXIFMDXFGKNKKT-SVRRBLITSA-N 0 0 276.262 1.647 10 70 CDIERN CCNC(=O)CCC(=O)NCc1nc2c(cccc2C)[nH]1 ZINC000160539634 538849051 /nfs/dbraw/zinc/84/90/51/538849051.db2.gz ZMHBCLGROHYPJF-UHFFFAOYSA-N 0 0 288.351 1.404 10 70 CDIERN CNc1ncc(C(=O)N2CC[C@H](c3cnn(C)c3)C2)s1 ZINC000160328619 357646488 /nfs/dbraw/zinc/64/64/88/357646488.db2.gz FCQRGJBBSQITLJ-VIFPVBQESA-N 0 0 291.380 1.548 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000160130780 237168987 /nfs/dbraw/zinc/16/89/87/237168987.db2.gz UKCDVSWBUMCHGX-RKDXNWHRSA-N 0 0 295.339 1.120 10 70 CDIERN O=C(CCn1ccc2ccccc21)NC1(CO)CC1 ZINC000160303414 363817948 /nfs/dbraw/zinc/81/79/48/363817948.db2.gz DCHXFAAAFMRJKK-UHFFFAOYSA-N 0 0 258.321 1.673 10 70 CDIERN C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)[C@H]1CN(C)CCO1 ZINC000160510348 363962667 /nfs/dbraw/zinc/96/26/67/363962667.db2.gz XEDKSRHMMSGSNU-SWLSCSKDSA-N 0 0 292.379 1.112 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)N1CCOC[C@H]1CC ZINC000160639842 364110924 /nfs/dbraw/zinc/11/09/24/364110924.db2.gz KSPYQCHTMMPNTJ-SNVBAGLBSA-N 0 0 295.339 1.121 10 70 CDIERN C[C@H](C(=O)NC1(CO)CC1)N1CCc2ccccc2C1 ZINC000160320312 364334977 /nfs/dbraw/zinc/33/49/77/364334977.db2.gz UWSRXACDODZQTA-GFCCVEGCSA-N 0 0 274.364 1.074 10 70 CDIERN CN(C(=O)Nc1ccn(CC(F)(F)F)n1)[C@@H]1CCOC1 ZINC000160358556 364338862 /nfs/dbraw/zinc/33/88/62/364338862.db2.gz OJNZDPHULFXENZ-MRVPVSSYSA-N 0 0 292.261 1.698 10 70 CDIERN CCOCC(=O)N[C@@H]1CCN(c2ccccc2OC)C1 ZINC000161051898 364442681 /nfs/dbraw/zinc/44/26/81/364442681.db2.gz ZEJTVGQJXMRVSF-GFCCVEGCSA-N 0 0 278.352 1.427 10 70 CDIERN C[C@@H](Cn1cncn1)NC(=O)c1c(F)cc(F)cc1F ZINC000160854506 364419633 /nfs/dbraw/zinc/41/96/33/364419633.db2.gz RBVDUYSWYIGDFE-ZETCQYMHSA-N 0 0 284.241 1.514 10 70 CDIERN CCC[C@@H](C(=O)NCc1cccc(C(N)=O)c1)[NH+](C)C ZINC000161486518 364501779 /nfs/dbraw/zinc/50/17/79/364501779.db2.gz XSIFEEYHXAQQOA-ZDUSSCGKSA-N 0 0 277.368 1.132 10 70 CDIERN C[C@@H](CC1CC1)NC(=O)c1cnc2c(c1)ncn2C ZINC000160490795 369939016 /nfs/dbraw/zinc/93/90/16/369939016.db2.gz IDIBAWBZIAJWPM-VIFPVBQESA-N 0 0 258.325 1.887 10 70 CDIERN COc1cccc(CNC(=O)N2CCC[C@](C)(O)C2)n1 ZINC000161360649 377187164 /nfs/dbraw/zinc/18/71/64/377187164.db2.gz DOAUIYCRXVRBJY-AWEZNQCLSA-N 0 0 279.340 1.147 10 70 CDIERN COc1ccc(O[C@@H](C)C(=O)NC2(CO)CC2)cc1 ZINC000160414167 533025560 /nfs/dbraw/zinc/02/55/60/533025560.db2.gz XCRCQYZMMBTJMJ-JTQLQIEISA-N 0 0 265.309 1.104 10 70 CDIERN COCC1CCN(C(=O)c2cnc3c(c2)ncn3C)CC1 ZINC000159835543 139906361 /nfs/dbraw/zinc/90/63/61/139906361.db2.gz YMDZLLXFKDEULH-UHFFFAOYSA-N 0 0 288.351 1.467 10 70 CDIERN CC1(C)C[C@@H](NC(=O)[C@H]2CCC(=O)N2)c2ccccc2O1 ZINC000159976420 278366268 /nfs/dbraw/zinc/36/62/68/278366268.db2.gz MMWKGACJRHMTSL-VXGBXAGGSA-N 0 0 288.347 1.684 10 70 CDIERN CN(C)c1nccc(N2CC[C@]3(O)CCCC[C@@H]3C2)n1 ZINC000160674003 279875635 /nfs/dbraw/zinc/87/56/35/279875635.db2.gz ZGWNSACCVZIXMZ-IUODEOHRSA-N 0 0 276.384 1.674 10 70 CDIERN Cc1cc(Br)oc1C(=O)NC1(CO)CC1 ZINC000160241477 292781328 /nfs/dbraw/zinc/78/13/28/292781328.db2.gz HTTOLVLGHSRZKA-UHFFFAOYSA-N 0 0 274.114 1.605 10 70 CDIERN COC(=O)CCCNC(=O)[C@H]1CCC(=O)C[C@@H]1C ZINC000160335672 292784234 /nfs/dbraw/zinc/78/42/34/292784234.db2.gz QXVZZFPMVMTSHQ-ONGXEEELSA-N 0 0 255.314 1.061 10 70 CDIERN CCc1cc(C)c(C(=O)N[C@@](C)(COC)CC(=O)OC)o1 ZINC000160997941 292797913 /nfs/dbraw/zinc/79/79/13/292797913.db2.gz LKCZYDJGBOAXFY-OAHLLOKOSA-N 0 0 297.351 1.848 10 70 CDIERN CC(C)n1ncnc1CN1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160810854 520134118 /nfs/dbraw/zinc/13/41/18/520134118.db2.gz DONXOHGITNLEDT-UKRRQHHQSA-N 0 0 278.400 1.986 10 70 CDIERN CC[C@](C)(O)CNS(=O)(=O)Cc1cccc(OC)c1 ZINC000160310649 529377804 /nfs/dbraw/zinc/37/78/04/529377804.db2.gz JLTQGRJXRKPNFV-ZDUSSCGKSA-N 0 0 287.381 1.276 10 70 CDIERN C[C@@H]1CN([C@@H]2CC(=O)N(C)C2=O)C[C@H](c2ccsc2)O1 ZINC000159874160 361893428 /nfs/dbraw/zinc/89/34/28/361893428.db2.gz FIBHLOJHRHSXIQ-YUSALJHKSA-N 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10 70 CDIERN O=C(NC[C@H]1CCC[C@@H]1O)c1cccc2[nH]cnc21 ZINC000159726850 188439222 /nfs/dbraw/zinc/43/92/22/188439222.db2.gz LSCRJSCAAWPBPR-SKDRFNHKSA-N 0 0 259.309 1.454 10 70 CDIERN O=C(Nc1ccc2c(c1)CCC2)N[C@@H]1CCc2ncnn2C1 ZINC000161286596 188519935 /nfs/dbraw/zinc/51/99/35/188519935.db2.gz ZPRASVXVIIWSSY-CQSZACIVSA-N 0 0 297.362 1.903 10 70 CDIERN Cc1cc(C(=O)N[C@H]2CCCC[C@@H]2CO)c(C)nn1 ZINC000218157308 538525061 /nfs/dbraw/zinc/52/50/61/538525061.db2.gz HAAQSWQXMWODHH-YPMHNXCESA-N 0 0 263.341 1.374 10 70 CDIERN C[C@@H](CO)N(C)C(=O)CCc1nc(-c2ccsc2)no1 ZINC000160437118 358638731 /nfs/dbraw/zinc/63/87/31/358638731.db2.gz CTPQHRRLWKNRGP-VIFPVBQESA-N 0 0 295.364 1.570 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)N1CCOC(C)(C)C1 ZINC000160212407 237170286 /nfs/dbraw/zinc/17/02/86/237170286.db2.gz DNPCEMBLCQGLQJ-UHFFFAOYSA-N 0 0 295.339 1.121 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)N1CCCC1 ZINC000160137209 363683488 /nfs/dbraw/zinc/68/34/88/363683488.db2.gz FDOZXTBDNIHTII-UHFFFAOYSA-N 0 0 251.286 1.106 10 70 CDIERN O=C(Nc1cccc(C(=O)NC2(CO)CC2)c1)NC1CC1 ZINC000160240932 363790559 /nfs/dbraw/zinc/79/05/59/363790559.db2.gz NXLRDGLSUQNGGX-UHFFFAOYSA-N 0 0 289.335 1.225 10 70 CDIERN CNc1ncc(C(=O)N[C@H]2CCO[C@H](C3CC3)C2)s1 ZINC000159388318 361679076 /nfs/dbraw/zinc/67/90/76/361679076.db2.gz RLRYUDZZPAVXAH-UWVGGRQHSA-N 0 0 281.381 1.872 10 70 CDIERN Cc1nc2c(cnn2C(C)C)cc1C(=O)NC1(CO)CC1 ZINC000160275603 363805623 /nfs/dbraw/zinc/80/56/23/363805623.db2.gz BSJUIDGDKYJTEK-UHFFFAOYSA-N 0 0 288.351 1.575 10 70 CDIERN CC[C@H](C(=O)NCCC(=O)N(C)C)c1c(C)noc1C ZINC000160401405 363845437 /nfs/dbraw/zinc/84/54/37/363845437.db2.gz IJDGIBZEDFMILG-NSHDSACASA-N 0 0 281.356 1.380 10 70 CDIERN C[C@@H](CC(=O)NC1(CO)CC1)C(=O)c1cccc(F)c1 ZINC000160552862 364001953 /nfs/dbraw/zinc/00/19/53/364001953.db2.gz DLPKXGKVCZTQAB-JTQLQIEISA-N 0 0 279.311 1.676 10 70 CDIERN COc1cccc([C@H]2C[C@@H]2C(=O)N(C)[C@H](C)CO)c1 ZINC000160529888 363968703 /nfs/dbraw/zinc/96/87/03/363968703.db2.gz YTGSTAVIPQLUAU-HONMWMINSA-N 0 0 263.337 1.638 10 70 CDIERN CCc1nnc(CN[C@@H](C)c2ccc(-n3ccnn3)cc2)[nH]1 ZINC000160521981 363971085 /nfs/dbraw/zinc/97/10/85/363971085.db2.gz PMTYSPONNIXCMW-NSHDSACASA-N 0 0 297.366 1.799 10 70 CDIERN CCc1ccc(C(=O)CCC(=O)NC2(CO)CC2)cc1 ZINC000160549127 363983708 /nfs/dbraw/zinc/98/37/08/363983708.db2.gz JTSLYMMENLFCPU-UHFFFAOYSA-N 0 0 275.348 1.853 10 70 CDIERN CNC(=O)[C@H]1CCCN(c2nc(C)nc(OC)c2C)C1 ZINC000159394361 364198236 /nfs/dbraw/zinc/19/82/36/364198236.db2.gz GKXLGHIGSRTXJA-NSHDSACASA-N 0 0 278.356 1.064 10 70 CDIERN C[C@@H](CO)N(C)C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000160560096 364374411 /nfs/dbraw/zinc/37/44/11/364374411.db2.gz NFALIDOBDWYYLL-JMJZKYOTSA-N 0 0 269.291 1.908 10 70 CDIERN CS[C@@H](C)CNC(=O)N[C@H](C)Cc1cc(C)n[nH]1 ZINC000160756175 364405223 /nfs/dbraw/zinc/40/52/23/364405223.db2.gz VLAIVZCARNDBAW-SCZZXKLOSA-N 0 0 270.402 1.700 10 70 CDIERN COc1ccccc1N1CC[C@H](NC(=O)[C@@H](C)OC)C1 ZINC000161042921 364441764 /nfs/dbraw/zinc/44/17/64/364441764.db2.gz INVIGNWJHQIDKJ-NEPJUHHUSA-N 0 0 278.352 1.425 10 70 CDIERN COc1cccc(O[C@H](C)CNC(=O)C[C@@H](O)C(C)C)c1 ZINC000161104568 364447802 /nfs/dbraw/zinc/44/78/02/364447802.db2.gz QOXATGHWCQBJSR-IUODEOHRSA-N 0 0 295.379 1.986 10 70 CDIERN Cc1ncc(CNC(=O)N2CCC[C@](C)(O)C2)s1 ZINC000160924945 364429433 /nfs/dbraw/zinc/42/94/33/364429433.db2.gz FNSQNXRJRFWKEM-LBPRGKRZSA-N 0 0 269.370 1.508 10 70 CDIERN C[C@@H]1Cc2ccccc2N1C(=O)N[C@H]1CCc2ncnn2C1 ZINC000161115438 367125347 /nfs/dbraw/zinc/12/53/47/367125347.db2.gz ISXMCUITBPWIHV-YPMHNXCESA-N 0 0 297.362 1.754 10 70 CDIERN O=C(NCc1ccccc1OC1CCC1)[C@@H]1CSCN1 ZINC000161198487 367580778 /nfs/dbraw/zinc/58/07/78/367580778.db2.gz DMZFIBHIKUUUPP-ZDUSSCGKSA-N 0 0 292.404 1.897 10 70 CDIERN NC(=O)C[C@@H](Nc1ccnc(C2CC2)n1)C1CCOCC1 ZINC000161266355 377201498 /nfs/dbraw/zinc/20/14/98/377201498.db2.gz CHGYYYHDMQNELB-GFCCVEGCSA-N 0 0 290.367 1.437 10 70 CDIERN Cc1cnn(CCC(=O)N[C@@H](C)Cc2cc(C)n[nH]2)c1 ZINC000161316804 377558999 /nfs/dbraw/zinc/55/89/99/377558999.db2.gz PYGKCBQVCUPHKL-NSHDSACASA-N 0 0 275.356 1.361 10 70 CDIERN CCSc1cccc(C(=O)NCC[C@H](O)COC)c1 ZINC000161425814 377620179 /nfs/dbraw/zinc/62/01/79/377620179.db2.gz BCUMNQKZKNNEKI-LBPRGKRZSA-N 0 0 283.393 1.926 10 70 CDIERN CN1CC[C@H](NC(N)=O)[C@@H]1c1ccc(F)c(F)c1 ZINC000160708588 290214082 /nfs/dbraw/zinc/21/40/82/290214082.db2.gz NDTQGQRFYOLLEV-QWRGUYRKSA-N 0 0 255.268 1.378 10 70 CDIERN COC(=O)c1csc(NC(=O)N(C)[C@H]2CCOC2)c1 ZINC000160946529 292796853 /nfs/dbraw/zinc/79/68/53/292796853.db2.gz IRCDLTDHHVDPLC-VIFPVBQESA-N 0 0 284.337 1.787 10 70 CDIERN COc1ccccc1[S@](=O)C[C@H](C)CS(C)(=O)=O ZINC000161063900 292799266 /nfs/dbraw/zinc/79/92/66/292799266.db2.gz SPCDNCMZCAMYJY-BTDLBPIBSA-N 0 0 290.406 1.484 10 70 CDIERN CCOC(=O)C[C@H](C)NC(=O)c1ccc(C)nc1C ZINC000160344028 520880361 /nfs/dbraw/zinc/88/03/61/520880361.db2.gz MTRWNUXYMAHFBH-JTQLQIEISA-N 0 0 264.325 1.770 10 70 CDIERN Cc1nc(-c2c[nH]c(C(=O)NC3(CO)CC3)c2)cs1 ZINC000160294709 534855835 /nfs/dbraw/zinc/85/58/35/534855835.db2.gz MMQLJUGUDCLKKU-UHFFFAOYSA-N 0 0 277.349 1.701 10 70 CDIERN COC(=O)c1cc(OC(C)C)cc2c1CCNC2=O ZINC000217951255 342261685 /nfs/dbraw/zinc/26/16/85/342261685.db2.gz WUNQNTNHLASUAT-UHFFFAOYSA-N 0 0 263.293 1.546 10 70 CDIERN COc1ccc2c(ccn2CC(=O)NC2(CO)CC2)c1 ZINC000160265867 539115741 /nfs/dbraw/zinc/11/57/41/539115741.db2.gz AGSITCYXVZVGQC-UHFFFAOYSA-N 0 0 274.320 1.291 10 70 CDIERN CCCCNC(=O)N1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC000160679143 539116237 /nfs/dbraw/zinc/11/62/37/539116237.db2.gz RFINARPCBIBJPA-VXGBXAGGSA-N 0 0 267.373 1.487 10 70 CDIERN Cc1ccc(NC(=O)N[C@H]2CCC(=O)N(C)C2)cn1 ZINC000161334915 539117511 /nfs/dbraw/zinc/11/75/11/539117511.db2.gz HBCYSXAWHUIJLO-NSHDSACASA-N 0 0 262.313 1.132 10 70 CDIERN CCc1c(C(=O)Nc2ccc(C)cn2)[nH]c(C)c1C(N)=O ZINC000161020240 529490336 /nfs/dbraw/zinc/49/03/36/529490336.db2.gz XSKNFXMHMIBRDF-UHFFFAOYSA-N 0 0 286.335 1.940 10 70 CDIERN C[C@@H](C(=O)N1CCOC2(CCOCC2)C1)C1CCOCC1 ZINC000160187673 362048937 /nfs/dbraw/zinc/04/89/37/362048937.db2.gz VOJDWXRLCFLZLW-CYBMUJFWSA-N 0 0 297.395 1.457 10 70 CDIERN CCc1nnc(CN[C@H](COC)c2ccccc2)[nH]1 ZINC000160394837 362419886 /nfs/dbraw/zinc/41/98/86/362419886.db2.gz ZECSWRQRZMETJH-GFCCVEGCSA-N 0 0 260.341 1.844 10 70 CDIERN COc1cc(NC(=O)C2=NNC(=O)CC2)ccc1F ZINC000160502134 362436548 /nfs/dbraw/zinc/43/65/48/362436548.db2.gz QPXPTWIZYTZZHL-UHFFFAOYSA-N 0 0 265.244 1.039 10 70 CDIERN COc1ccc(/C=C/C(=O)N[C@@H](C)[C@H](C)CO)cc1 ZINC000160286232 362407643 /nfs/dbraw/zinc/40/76/43/362407643.db2.gz MCTGNTBQCCQIMQ-FIRGKKCLSA-N 0 0 263.337 1.842 10 70 CDIERN Cc1ccc([C@H](C)CNS(=O)(=O)c2c[nH]cn2)cc1 ZINC000159674355 363182593 /nfs/dbraw/zinc/18/25/93/363182593.db2.gz NBUKJTCACYEJKE-LLVKDONJSA-N 0 0 279.365 1.800 10 70 CDIERN CC(=O)Nc1cccc(C(=O)N[C@@H](C)[C@H](C)CO)c1 ZINC000160288339 361322062 /nfs/dbraw/zinc/32/20/62/361322062.db2.gz FLLNSMBNLOAUKQ-ZJUUUORDSA-N 0 0 264.325 1.392 10 70 CDIERN Cc1nc(CC(=O)NCC[C@H](O)C(C)C)c(C)s1 ZINC000159467021 361708188 /nfs/dbraw/zinc/70/81/88/361708188.db2.gz JPKDIVDJKSLHRY-LBPRGKRZSA-N 0 0 270.398 1.826 10 70 CDIERN Cc1ccc(-c2cc(C(=O)NC3(CO)CC3)on2)cc1 ZINC000160282756 363806737 /nfs/dbraw/zinc/80/67/37/363806737.db2.gz XYBRZAVXQSYONM-UHFFFAOYSA-N 0 0 272.304 1.905 10 70 CDIERN COCCOCCC(=O)NCc1nc2c(cccc2C)[nH]1 ZINC000160308996 363818000 /nfs/dbraw/zinc/81/80/00/363818000.db2.gz LDDIDUCHHHSFHS-UHFFFAOYSA-N 0 0 291.351 1.541 10 70 CDIERN COCCS(=O)(=O)NC[C@@H](C)c1ccc(C)cc1 ZINC000159691883 364252533 /nfs/dbraw/zinc/25/25/33/364252533.db2.gz WGAXORAYBCGEIS-GFCCVEGCSA-N 0 0 271.382 1.664 10 70 CDIERN CCCOC(=O)[C@@H](C)N1CCO[C@H](c2nccs2)C1 ZINC000160113261 364307111 /nfs/dbraw/zinc/30/71/11/364307111.db2.gz QHYKFDPODKNMIW-MNOVXSKESA-N 0 0 284.381 1.858 10 70 CDIERN C[C@@H](CO)N(C)C(=O)N[C@H]1CCO[C@H](c2ccccc2)C1 ZINC000160683841 364394040 /nfs/dbraw/zinc/39/40/40/364394040.db2.gz AMKSUXHZRJUXOB-QEJZJMRPSA-N 0 0 292.379 1.929 10 70 CDIERN C[C@@H](CO)N(C)C(=O)COc1ccc2ccc(=O)oc2c1 ZINC000160393669 364345453 /nfs/dbraw/zinc/34/54/53/364345453.db2.gz RLYLVOKLGHUXBH-JTQLQIEISA-N 0 0 291.303 1.011 10 70 CDIERN CCc1ccc(NC(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000161293957 364476070 /nfs/dbraw/zinc/47/60/70/364476070.db2.gz QGZSHJZGVFEAFM-CYBMUJFWSA-N 0 0 285.351 1.977 10 70 CDIERN Cc1cc(C[C@H](C)NC(=O)CSc2ccncc2)[nH]n1 ZINC000161460376 364496013 /nfs/dbraw/zinc/49/60/13/364496013.db2.gz UEDWYEVSNIIIMG-JTQLQIEISA-N 0 0 290.392 1.953 10 70 CDIERN C[C@@H]1C[C@@H](C)CN(C(=O)N[C@@H]2CCc3ncnn3C2)C1 ZINC000161291305 368365476 /nfs/dbraw/zinc/36/54/76/368365476.db2.gz QDCJPGDIMMFJEL-IJLUTSLNSA-N 0 0 277.372 1.280 10 70 CDIERN CC[C@H]1CN(C(=O)c2cnc3c(c2)ncn3C)CCO1 ZINC000160066591 375631461 /nfs/dbraw/zinc/63/14/61/375631461.db2.gz YKDPIEHLLKCWCH-NSHDSACASA-N 0 0 274.324 1.219 10 70 CDIERN CC(C)[C@@H](O)CC(=O)N[C@H](C)c1nc(C(C)(C)C)no1 ZINC000161440818 377629261 /nfs/dbraw/zinc/62/92/61/377629261.db2.gz JPSHJSALJHFNHP-ZJUUUORDSA-N 0 0 283.372 1.951 10 70 CDIERN 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1.423 10 70 CDIERN CC(C)CCN(C(=O)N[C@H]1CCc2ncnn2C1)C1CC1 ZINC000161023353 519649564 /nfs/dbraw/zinc/64/95/64/519649564.db2.gz SLTJEEUQTLTUAP-LBPRGKRZSA-N 0 0 291.399 1.813 10 70 CDIERN CCc1nc2n(n1)C[C@H](NC(=O)NC1(C)CCC1)CC2 ZINC000161278622 522528877 /nfs/dbraw/zinc/52/88/77/522528877.db2.gz FXBRSHLEBMQCNZ-SNVBAGLBSA-N 0 0 277.372 1.397 10 70 CDIERN CN(CCOCc1ccccc1)C(=O)Cc1ccon1 ZINC000161469109 522897680 /nfs/dbraw/zinc/89/76/80/522897680.db2.gz URMWYAXMXSYQJK-UHFFFAOYSA-N 0 0 274.320 1.892 10 70 CDIERN COC(=O)CN(C(=O)c1c[nH]c(=O)cc1C)C1CCCC1 ZINC000160816474 523136023 /nfs/dbraw/zinc/13/60/23/523136023.db2.gz DRWRQZAQPNBMBL-UHFFFAOYSA-N 0 0 292.335 1.241 10 70 CDIERN CC(=O)N1CC[C@H](C(=O)N(C)c2ccc3c(c2)OCO3)C1 ZINC000160091275 526656563 /nfs/dbraw/zinc/65/65/63/526656563.db2.gz UOFXFBXXVKKLPP-NSHDSACASA-N 0 0 290.319 1.247 10 70 CDIERN Cc1[nH]nc(C(C)C)c1C(=O)NCc1ccnn1C ZINC000159812497 361870591 /nfs/dbraw/zinc/87/05/91/361870591.db2.gz UPARYFDNNMODON-UHFFFAOYSA-N 0 0 261.329 1.505 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1.256 10 70 CDIERN CC(C)(C)C[C@@H]1CCCN1C(=O)CN1CCC(=O)NC1=O ZINC000216966862 347691722 /nfs/dbraw/zinc/69/17/22/347691722.db2.gz QKXUKPWEJSUZPH-NSHDSACASA-N 0 0 295.383 1.356 10 70 CDIERN CCN(CCCO)C(=O)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000160546081 188479431 /nfs/dbraw/zinc/47/94/31/188479431.db2.gz YXOKCVDLTCFCCX-ZDUSSCGKSA-N 0 0 283.755 1.874 10 70 CDIERN CCOCC(=O)N1CCO[C@@H](c2cccs2)C1 ZINC000161293519 188520137 /nfs/dbraw/zinc/52/01/37/188520137.db2.gz PLAPPYWVSSRCDY-SNVBAGLBSA-N 0 0 255.339 1.685 10 70 CDIERN CCC(=O)N1CC[C@@H](C(=O)NCc2cnc(C)s2)C1 ZINC000159983687 363552605 /nfs/dbraw/zinc/55/26/05/363552605.db2.gz PHPGCMRPUXDJCN-SNVBAGLBSA-N 0 0 281.381 1.326 10 70 CDIERN CC(C)c1cc(=O)n(CC(=O)N(C)CC2CC2)cn1 ZINC000160707755 360824064 /nfs/dbraw/zinc/82/40/64/360824064.db2.gz SGHSIWFYMKXYKW-UHFFFAOYSA-N 0 0 263.341 1.235 10 70 CDIERN CCCS(=O)(=O)CCN1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000161105422 360914516 /nfs/dbraw/zinc/91/45/16/360914516.db2.gz MRHXSKYCPQVMTM-KGLIPLIRSA-N 0 0 289.441 1.438 10 70 CDIERN C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)NC2(CO)CC2)cc1 ZINC000160313547 363813201 /nfs/dbraw/zinc/81/32/01/363813201.db2.gz OZTCLKVFYXSBKA-ZWNOBZJWSA-N 0 0 288.347 1.536 10 70 CDIERN COc1ccc(COCCCC(=O)NC2(CO)CC2)cc1 ZINC000160301855 363816899 /nfs/dbraw/zinc/81/68/99/363816899.db2.gz DUSUCNOAMKFDTE-UHFFFAOYSA-N 0 0 293.363 1.633 10 70 CDIERN C[C@H](Cc1ccc(O)cc1)N(C)C(=O)c1cnns1 ZINC000160601332 364079294 /nfs/dbraw/zinc/07/92/94/364079294.db2.gz MCUXZZFEQWRDIN-SECBINFHSA-N 0 0 277.349 1.947 10 70 CDIERN CNC(=O)[C@@H]1CCCN(c2nc(C)nc(OC)c2C)C1 ZINC000159394505 364198059 /nfs/dbraw/zinc/19/80/59/364198059.db2.gz GKXLGHIGSRTXJA-LLVKDONJSA-N 0 0 278.356 1.064 10 70 CDIERN C[C@@H](O)CCNC(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000160173505 364313848 /nfs/dbraw/zinc/31/38/48/364313848.db2.gz FKHZBOLWSYFPGS-BXUZGUMPSA-N 0 0 294.351 1.747 10 70 CDIERN CCc1ncc(NC(=O)N[C@H]2CCCn3ncnc32)cn1 ZINC000161144890 364455175 /nfs/dbraw/zinc/45/51/75/364455175.db2.gz VRSVWFRDCQJUFF-JTQLQIEISA-N 0 0 287.327 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/nfs/dbraw/zinc/59/40/37/521594037.db2.gz XLNBMBGHVCBYCX-LBPRGKRZSA-N 0 0 286.353 1.537 10 70 CDIERN CCc1nnc(CN[C@H](c2nnc3ccccn32)C(C)C)[nH]1 ZINC000160550836 522356331 /nfs/dbraw/zinc/35/63/31/522356331.db2.gz YWOYMMQMZZQRAO-AWEZNQCLSA-N 0 0 299.382 1.897 10 70 CDIERN CCn1cnnc1[C@H]1CCCN(CC(=O)N(C)C2CC2)C1 ZINC000161351816 523605089 /nfs/dbraw/zinc/60/50/89/523605089.db2.gz YNSAUGNIEGKEAQ-LBPRGKRZSA-N 0 0 291.399 1.098 10 70 CDIERN COc1ccc(O[C@@H](C)C(=O)N2CCC(C)(O)CC2)cc1 ZINC000161268335 524979340 /nfs/dbraw/zinc/97/93/40/524979340.db2.gz FDCSIQGMBQXXKB-LBPRGKRZSA-N 0 0 293.363 1.836 10 70 CDIERN O=C([C@H](O)c1ccccc1)N1CC[C@H](Oc2cccnc2)C1 ZINC000161497712 526521393 /nfs/dbraw/zinc/52/13/93/526521393.db2.gz OOWHRTSQKWPSRB-JKSUJKDBSA-N 0 0 298.342 1.795 10 70 CDIERN Cn1c(CN2CC[C@]3(O)CCCC[C@@H]3C2)nnc1C1CC1 ZINC000160627026 527057985 /nfs/dbraw/zinc/05/79/85/527057985.db2.gz JAGJKUNWZZFABY-CZUORRHYSA-N 0 0 290.411 1.820 10 70 CDIERN CSc1nsc(NC(=O)[C@H]2CC[C@@H](C)O2)n1 ZINC000159603718 361750299 /nfs/dbraw/zinc/75/02/99/361750299.db2.gz PXGNUFFVPRRNQJ-PHDIDXHHSA-N 0 0 259.356 1.766 10 70 CDIERN O=C(NCCc1ccsc1)N[C@H]1CCc2n[nH]cc2C1 ZINC000159858562 361884424 /nfs/dbraw/zinc/88/44/24/361884424.db2.gz LFPDQTNJWMWDLI-LBPRGKRZSA-N 0 0 290.392 1.870 10 70 CDIERN C[C@@H]1CC[C@@H](CCC(=O)N2CCC(OCCCO)CC2)O1 ZINC000160123344 539115417 /nfs/dbraw/zinc/11/54/17/539115417.db2.gz WPTRESLWPFOEKK-HIFRSBDPSA-N 0 0 299.411 1.724 10 70 CDIERN Cn1cnnc1CNC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000160131367 362035542 /nfs/dbraw/zinc/03/55/42/362035542.db2.gz DBRNRSABVHFDRF-KOLCDFICSA-N 0 0 292.289 1.513 10 70 CDIERN CCc1ccc(CC(=O)NC[C@@H](C)N2CCOCC2)cc1 ZINC000160204340 362054252 /nfs/dbraw/zinc/05/42/52/362054252.db2.gz INTKXYVMJGLVPY-CQSZACIVSA-N 0 0 290.407 1.628 10 70 CDIERN C[C@H](CNC(=O)[C@@H]1CCC[C@@H](C)C1)N1CCOCC1 ZINC000160210238 362056035 /nfs/dbraw/zinc/05/60/35/362056035.db2.gz MZGPAZAIGQBMPF-MGPQQGTHSA-N 0 0 268.401 1.650 10 70 CDIERN CCn1cc(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)cn1 ZINC000160156714 362400253 /nfs/dbraw/zinc/40/02/53/362400253.db2.gz XUHRGHKXCKIBDX-TYNCELHUSA-N 0 0 292.383 1.374 10 70 CDIERN CCn1nc(C)cc1C(=O)N(C)Cc1cc(C)on1 ZINC000159973500 345320160 /nfs/dbraw/zinc/32/01/60/345320160.db2.gz YCDFKNLCIPVRSD-UHFFFAOYSA-N 0 0 262.313 1.780 10 70 CDIERN COCC[N@@H+]1CCC[C@H]1CNC(=O)NC1(C)CCC1 ZINC000161097145 362587035 /nfs/dbraw/zinc/58/70/35/362587035.db2.gz DKCBYIJRFNLPCV-LBPRGKRZSA-N 0 0 269.389 1.339 10 70 CDIERN COC[C@@H](O)CCNC(=O)/C=C(/C)c1cccc(OC)c1 ZINC000160929084 188498813 /nfs/dbraw/zinc/49/88/13/188498813.db2.gz WARGKHULXSMNDS-UQTJOTSZSA-N 0 0 293.363 1.612 10 70 CDIERN COc1ccc(O[C@@H](C)CNC(=O)C[C@H](O)C(C)C)cc1 ZINC000161169043 188512293 /nfs/dbraw/zinc/51/22/93/188512293.db2.gz VEBORDGNKHJYMB-WFASDCNBSA-N 0 0 295.379 1.986 10 70 CDIERN CCc1ccc(CC(=O)N[C@@H](C)Cn2cncn2)cc1 ZINC000160853516 358775476 /nfs/dbraw/zinc/77/54/76/358775476.db2.gz PINSTECRUPAWDB-LBPRGKRZSA-N 0 0 272.352 1.588 10 70 CDIERN CCCOC(=O)[C@@H](C)N1c2ccccc2C[C@H]1C(N)=O ZINC000159849094 283399809 /nfs/dbraw/zinc/39/98/09/283399809.db2.gz ZIOOYBZWWUKTHZ-MFKMUULPSA-N 0 0 276.336 1.245 10 70 CDIERN CCOCCOCC(=O)N[C@H]1CCc2c1cccc2OC ZINC000160078804 363647649 /nfs/dbraw/zinc/64/76/49/363647649.db2.gz VGMYGLQNNOXRLR-AWEZNQCLSA-N 0 0 293.363 1.852 10 70 CDIERN CCc1cccc(CC(=O)NCc2cnn(C)c2)c1 ZINC000160699343 360783380 /nfs/dbraw/zinc/78/33/80/360783380.db2.gz VTWXKPCYVHACOY-UHFFFAOYSA-N 0 0 257.337 1.841 10 70 CDIERN CNc1ccc(C(=O)N2CCS[C@@H](C)C2)cn1 ZINC000159397980 361683206 /nfs/dbraw/zinc/68/32/06/361683206.db2.gz VGXYQTSSLFLHKP-VIFPVBQESA-N 0 0 251.355 1.701 10 70 CDIERN Cc1cccc2[nH]c(CNC(=O)c3ccnnc3)nc21 ZINC000160296478 363804457 /nfs/dbraw/zinc/80/44/57/363804457.db2.gz UEXNHSWEPAPLTG-UHFFFAOYSA-N 0 0 267.292 1.591 10 70 CDIERN O=C(C[C@H]1COC(=O)C1)N[C@H]1CCOC2(CCCC2)C1 ZINC000159525675 361730543 /nfs/dbraw/zinc/73/05/43/361730543.db2.gz LFVMQAIXXPVKOG-NEPJUHHUSA-N 0 0 281.352 1.548 10 70 CDIERN CCOc1ccc(C(=O)CCC(=O)NC2(CO)CC2)cc1 ZINC000160325934 363816434 /nfs/dbraw/zinc/81/64/34/363816434.db2.gz KYBODXRIROZZJT-UHFFFAOYSA-N 0 0 291.347 1.689 10 70 CDIERN Cc1ncc(Cl)c(C(=O)N[C@@H](CO)CC(C)C)n1 ZINC000160635363 364107537 /nfs/dbraw/zinc/10/75/37/364107537.db2.gz SQDOLQDRLFSCLU-SECBINFHSA-N 0 0 271.748 1.575 10 70 CDIERN CCc1nn(C)c(Cl)c1C(=O)NCc1ccnn1C ZINC000159803313 364267271 /nfs/dbraw/zinc/26/72/71/364267271.db2.gz SSYPQDDLSXTOPE-UHFFFAOYSA-N 0 0 281.747 1.299 10 70 CDIERN Cc1ncc(CNC(=O)N2CCC[C@@](C)(O)C2)s1 ZINC000160924792 364429286 /nfs/dbraw/zinc/42/92/86/364429286.db2.gz FNSQNXRJRFWKEM-GFCCVEGCSA-N 0 0 269.370 1.508 10 70 CDIERN Cc1cc(C[C@H](C)NC(=O)[C@@H](C)c2cccnc2)[nH]n1 ZINC000161278936 364473752 /nfs/dbraw/zinc/47/37/52/364473752.db2.gz PDHFIOOWILCDJP-JQWIXIFHSA-N 0 0 272.352 1.964 10 70 CDIERN CCNC(=O)CNC(=O)C[C@@H]1CCCC(C)(C)C1 ZINC000160271447 377043121 /nfs/dbraw/zinc/04/31/21/377043121.db2.gz WXAKVJHCSCJYNW-NSHDSACASA-N 0 0 254.374 1.845 10 70 CDIERN COc1cccc(CS(=O)(=O)C2CCOCC2)c1 ZINC000160065263 376999615 /nfs/dbraw/zinc/99/96/15/376999615.db2.gz MBJIUXCZIJZULH-UHFFFAOYSA-N 0 0 270.350 1.789 10 70 CDIERN CN(C)C(=O)CC(=O)NCCc1csc(C(C)(C)C)n1 ZINC000160742405 377112761 /nfs/dbraw/zinc/11/27/61/377112761.db2.gz SQOMXCVQTDTFLD-UHFFFAOYSA-N 0 0 297.424 1.578 10 70 CDIERN CN(C(=O)NCC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000217598316 391024545 /nfs/dbraw/zinc/02/45/45/391024545.db2.gz BFQDWCJZDOQDAF-GFCCVEGCSA-N 0 0 288.413 1.395 10 70 CDIERN C[C@H](C(=O)Nc1cnc(N(C)C)nc1)C1CCOCC1 ZINC000161497184 139913239 /nfs/dbraw/zinc/91/32/39/139913239.db2.gz AIGBOZBVBGYUEP-JTQLQIEISA-N 0 0 278.356 1.544 10 70 CDIERN CC(C)CNC(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000217286504 140163940 /nfs/dbraw/zinc/16/39/40/140163940.db2.gz FJLZMZYULDRQPM-CQSZACIVSA-N 0 0 289.379 1.743 10 70 CDIERN C[C@H](C(=O)Nc1cccc(C(N)=O)c1)C1CCOCC1 ZINC000160689256 147723026 /nfs/dbraw/zinc/72/30/26/147723026.db2.gz OJVLNRHNIPBBTP-JTQLQIEISA-N 0 0 276.336 1.787 10 70 CDIERN CNC(=O)c1cccc(CCC(=O)N(C)CCOC)c1 ZINC000159957725 292774315 /nfs/dbraw/zinc/77/43/15/292774315.db2.gz YZBDSJCWDBJLRP-UHFFFAOYSA-N 0 0 278.352 1.084 10 70 CDIERN CC[C@H](NS(=O)(=O)[C@H](C)COC)c1nccs1 ZINC000159971411 292774971 /nfs/dbraw/zinc/77/49/71/292774971.db2.gz DLFKZBZOZGUXTP-BDAKNGLRSA-N 0 0 278.399 1.549 10 70 CDIERN CC1(C)CCC[C@H](CC(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000160201956 292779837 /nfs/dbraw/zinc/77/98/37/292779837.db2.gz RAAAKMLEVMFYNC-NEPJUHHUSA-N 0 0 287.425 1.896 10 70 CDIERN C[C@H](Cc1ccc(O)cc1)N(C)C(=O)CN1CCCC1=O ZINC000160584297 292790954 /nfs/dbraw/zinc/79/09/54/292790954.db2.gz HJUHECGQLGCHAS-GFCCVEGCSA-N 0 0 290.363 1.404 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)NCc1ccn(C)c1 ZINC000160905243 292795955 /nfs/dbraw/zinc/79/59/55/292795955.db2.gz AAOBRSDHIJOLGC-UHFFFAOYSA-N 0 0 290.323 1.139 10 70 CDIERN Cc1csc([C@@H]2CN(Cc3nncn3C)CCO2)n1 ZINC000160897211 292796264 /nfs/dbraw/zinc/79/62/64/292796264.db2.gz CKTXHFQBDMAHFJ-JTQLQIEISA-N 0 0 279.369 1.154 10 70 CDIERN C[C@@H](C[S@@](=O)c1ccc(F)cc1)CS(C)(=O)=O ZINC000161035737 292798652 /nfs/dbraw/zinc/79/86/52/292798652.db2.gz ZJWBAJVNWNMJMF-FVMDXXJSSA-N 0 0 278.370 1.614 10 70 CDIERN CCC(=O)Nc1ccc(NC(=O)NC2(CO)CC2)cc1 ZINC000160879774 292795377 /nfs/dbraw/zinc/79/53/77/292795377.db2.gz GUGDPTOTBKMZJV-UHFFFAOYSA-N 0 0 277.324 1.682 10 70 CDIERN CCOC(=O)C[C@H](C)NC(=O)CCc1ccc(C)o1 ZINC000160559138 520871331 /nfs/dbraw/zinc/87/13/31/520871331.db2.gz BUNXKZWMMDRTGO-JTQLQIEISA-N 0 0 267.325 1.979 10 70 CDIERN CO[C@H](C)c1noc(CN2CC[C@]3(O)CCCC[C@@H]3C2)n1 ZINC000161134934 523921019 /nfs/dbraw/zinc/92/10/19/523921019.db2.gz YUECKORCZLYUKS-LALPHHSUSA-N 0 0 295.383 1.904 10 70 CDIERN CC(C)OC(=O)CCCNC(=O)N[C@H](C)[C@@H](C)CO ZINC000159728507 361814258 /nfs/dbraw/zinc/81/42/58/361814258.db2.gz FJUIAVNCPCGCGK-WDEREUQCSA-N 0 0 274.361 1.034 10 70 CDIERN CCCCO[C@H](C)C(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000159953377 361966304 /nfs/dbraw/zinc/96/63/04/361966304.db2.gz CMXOSPPYOZUOMY-LLVKDONJSA-N 0 0 291.413 1.227 10 70 CDIERN Cc1cccc(S(=O)(=O)CCCCS(C)(=O)=O)c1 ZINC000160315788 539115697 /nfs/dbraw/zinc/11/56/97/539115697.db2.gz UEDNLURXBAJPOF-UHFFFAOYSA-N 0 0 290.406 1.594 10 70 CDIERN CCn1nc(C)cc1C(=O)NCc1cnc(C)s1 ZINC000161043292 347412656 /nfs/dbraw/zinc/41/26/56/347412656.db2.gz TXPJWONWIHCEOT-UHFFFAOYSA-N 0 0 264.354 1.906 10 70 CDIERN CCc1nnc(CN[C@@H](C)c2ccc(-n3cncn3)cc2)[nH]1 ZINC000160277322 362930110 /nfs/dbraw/zinc/93/01/10/362930110.db2.gz FMGRGQKPUBNEQX-NSHDSACASA-N 0 0 297.366 1.799 10 70 CDIERN CNC(=O)[C@@H]1CCCN1C(=O)c1cnc(C(C)C)s1 ZINC000161248365 188517549 /nfs/dbraw/zinc/51/75/49/188517549.db2.gz FCQWTHJIGASKLD-VIFPVBQESA-N 0 0 281.381 1.617 10 70 CDIERN CC(C)n1nnnc1CSC[C@H](C)CS(C)(=O)=O ZINC000159830994 363357634 /nfs/dbraw/zinc/35/76/34/363357634.db2.gz KSDULDZYSOATPZ-VIFPVBQESA-N 0 0 292.430 1.168 10 70 CDIERN CC[C@@H](NS(=O)(=O)[C@@H](C)COC)c1nccs1 ZINC000159971281 363524540 /nfs/dbraw/zinc/52/45/40/363524540.db2.gz DLFKZBZOZGUXTP-DTWKUNHWSA-N 0 0 278.399 1.549 10 70 CDIERN O=C(Cc1ccc(O)cc1)N1CCC(OCCCO)CC1 ZINC000160261088 538847482 /nfs/dbraw/zinc/84/74/82/538847482.db2.gz MPQVKCRMIGCIHQ-UHFFFAOYSA-N 0 0 293.363 1.325 10 70 CDIERN CSCCC(=O)N(C)CC(C)(C)CN1CCOCC1 ZINC000160082841 363647590 /nfs/dbraw/zinc/64/75/90/363647590.db2.gz SIIPMZGWNUHSGS-UHFFFAOYSA-N 0 0 288.457 1.556 10 70 CDIERN O=C(C1CCN(C(=O)[C@@H]2CCCCO2)CC1)N1CCCC1 ZINC000160384728 237174599 /nfs/dbraw/zinc/17/45/99/237174599.db2.gz BVWUWEOKQXBJMJ-AWEZNQCLSA-N 0 0 294.395 1.417 10 70 CDIERN CNC(=O)c1ccc(N[C@@H]2CCOC(C)(C)C2)nn1 ZINC000160649468 370668021 /nfs/dbraw/zinc/66/80/21/370668021.db2.gz NIHDAPAXDMCPMF-SECBINFHSA-N 0 0 264.329 1.206 10 70 CDIERN Cc1cccc2[nH]c(CNC(=O)c3ccon3)nc21 ZINC000160281384 363806874 /nfs/dbraw/zinc/80/68/74/363806874.db2.gz RQRHMOCBGMJMIK-UHFFFAOYSA-N 0 0 256.265 1.789 10 70 CDIERN CNC(=O)c1cccc(CCC(=O)NCc2ccn(C)c2)c1 ZINC000160428615 363859616 /nfs/dbraw/zinc/85/96/16/363859616.db2.gz DQYWKEZMWLFVOX-UHFFFAOYSA-N 0 0 299.374 1.634 10 70 CDIERN C[C@H]1CN(C(=O)C2CCC(C)(C)CC2)CCS1(=O)=O ZINC000160572099 364038131 /nfs/dbraw/zinc/03/81/31/364038131.db2.gz SZTAPNVGGBEZMN-NSHDSACASA-N 0 0 287.425 1.848 10 70 CDIERN CCC[C@H]1CN(C(=O)NCCCCC(=O)OC)CCO1 ZINC000160613652 364096509 /nfs/dbraw/zinc/09/65/09/364096509.db2.gz LYMPGOVGJHXXEY-LBPRGKRZSA-N 0 0 286.372 1.540 10 70 CDIERN CNC(=O)COc1cccc(CC(=O)N[C@@H](C)C(C)C)c1 ZINC000159719822 364256409 /nfs/dbraw/zinc/25/64/09/364256409.db2.gz AUNAJAZULANBFH-LBPRGKRZSA-N 0 0 292.379 1.515 10 70 CDIERN CCC[C@@H](C(=O)NCc1ccc(C(N)=O)cc1)[NH+](C)C ZINC000160252215 364326181 /nfs/dbraw/zinc/32/61/81/364326181.db2.gz MUKHSMAKCGUIMT-ZDUSSCGKSA-N 0 0 277.368 1.132 10 70 CDIERN CN(C(=O)Nc1ccn(CC(F)(F)F)n1)[C@H]1CCOC1 ZINC000160358671 364339333 /nfs/dbraw/zinc/33/93/33/364339333.db2.gz OJNZDPHULFXENZ-QMMMGPOBSA-N 0 0 292.261 1.698 10 70 CDIERN Cc1cccc(C)c1NC(=O)C(=O)N(C)C[C@H]1CCCO1 ZINC000160873506 364422454 /nfs/dbraw/zinc/42/24/54/364422454.db2.gz OOXJYPFRPSBLNY-CYBMUJFWSA-N 0 0 290.363 1.879 10 70 CDIERN C[C@@H]([NH2+]C[C@@H](CO)c1ccccc1)c1cnn(C)c1 ZINC000161486315 364501875 /nfs/dbraw/zinc/50/18/75/364501875.db2.gz RGGGJHLHXMUEMW-DOMZBBRYSA-N 0 0 259.353 1.847 10 70 CDIERN C[C@@H](C(=O)Nc1cnc(N(C)C)nc1)C1CCOCC1 ZINC000161497311 377228638 /nfs/dbraw/zinc/22/86/38/377228638.db2.gz AIGBOZBVBGYUEP-SNVBAGLBSA-N 0 0 278.356 1.544 10 70 CDIERN Cc1cc(C[C@@H](C)NC(=O)c2cn3cccnc3n2)[nH]n1 ZINC000161262250 377531447 /nfs/dbraw/zinc/53/14/47/377531447.db2.gz XZPRKCWSOILEJL-SECBINFHSA-N 0 0 284.323 1.122 10 70 CDIERN CCc1c(C(=O)N[C@H](CO)CC(C)C)[nH]c(C)c1C(N)=O ZINC000161267962 377532251 /nfs/dbraw/zinc/53/22/51/377532251.db2.gz BIEMVIJUWNZCSF-JTQLQIEISA-N 0 0 295.383 1.121 10 70 CDIERN Cc1cnn(CCNc2nccn3c(C)nnc23)c1 ZINC000218052233 140164596 /nfs/dbraw/zinc/16/45/96/140164596.db2.gz CNQPHDDDNHJVPF-UHFFFAOYSA-N 0 0 257.301 1.050 10 70 CDIERN O=C(CCCOc1ccc(F)cc1F)NC1(CO)CC1 ZINC000160210842 292780665 /nfs/dbraw/zinc/78/06/65/292780665.db2.gz IQNYDSMKLXHWOQ-UHFFFAOYSA-N 0 0 285.290 1.765 10 70 CDIERN O=C(CC1CCCC1)NCC(=O)N1CCCSCC1 ZINC000160355108 292784978 /nfs/dbraw/zinc/78/49/78/292784978.db2.gz QKHBPATZJSDFGC-UHFFFAOYSA-N 0 0 284.425 1.648 10 70 CDIERN C[C@@H]1CN(C(=O)C2CCC(C)(C)CC2)CCS1(=O)=O ZINC000160571964 292790112 /nfs/dbraw/zinc/79/01/12/292790112.db2.gz SZTAPNVGGBEZMN-LLVKDONJSA-N 0 0 287.425 1.848 10 70 CDIERN CC(=O)CCC(C)(C)C(=O)N[C@@H](CO)CC(C)C ZINC000160843355 292795591 /nfs/dbraw/zinc/79/55/91/292795591.db2.gz DPYGVOKTIWAFQP-GFCCVEGCSA-N 0 0 257.374 1.905 10 70 CDIERN Cc1conc1NC(=O)C(=O)NC/C=C/c1ccccc1 ZINC000161177695 292801160 /nfs/dbraw/zinc/80/11/60/292801160.db2.gz BGFHQNSYMLGCHV-VMPITWQZSA-N 0 0 285.303 1.751 10 70 CDIERN Cn1cnc2cc(C(=O)N3CCOC[C@@H]3C3CC3)cnc21 ZINC000161015179 303024655 /nfs/dbraw/zinc/02/46/55/303024655.db2.gz PHNZVSJWXQVJCL-CYBMUJFWSA-N 0 0 286.335 1.219 10 70 CDIERN CC(C)n1ncnc1CN1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160810978 520133885 /nfs/dbraw/zinc/13/38/85/520133885.db2.gz DONXOHGITNLEDT-HIFRSBDPSA-N 0 0 278.400 1.986 10 70 CDIERN CC(C)n1nnnc1CN1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160934593 520144549 /nfs/dbraw/zinc/14/45/49/520144549.db2.gz TUEKREGNEHBWFI-TZMCWYRMSA-N 0 0 279.388 1.381 10 70 CDIERN CCC[C@@H](NC(=O)[C@@H]1CCNC(=O)C1)C(=O)OC(C)(C)C ZINC000161450782 520745475 /nfs/dbraw/zinc/74/54/75/520745475.db2.gz FWYBOGFJIIGPMG-GHMZBOCLSA-N 0 0 298.383 1.139 10 70 CDIERN O=C([C@@H]1CCn2ccnc2C1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000160135599 534594014 /nfs/dbraw/zinc/59/40/14/534594014.db2.gz OJHUZISTOBPHHB-HZSPNIEDSA-N 0 0 289.379 1.616 10 70 CDIERN CC[C@@H](O)CCNC(=O)NC1CCN(C(=O)C(C)C)CC1 ZINC000160938368 522980000 /nfs/dbraw/zinc/98/00/00/522980000.db2.gz FMGLNTMUNKNTSZ-CYBMUJFWSA-N 0 0 299.415 1.094 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)NC1CCCC1 ZINC000159953978 361964806 /nfs/dbraw/zinc/96/48/06/361964806.db2.gz IJRBVZDTVVOQBX-UHFFFAOYSA-N 0 0 265.313 1.543 10 70 CDIERN O=C(NC1(CO)CC1)c1cnn(-c2ccccc2F)c1 ZINC000160208409 539115637 /nfs/dbraw/zinc/11/56/37/539115637.db2.gz ZJQUHLOPWCNCBV-UHFFFAOYSA-N 0 0 275.283 1.266 10 70 CDIERN COc1ccc([S@@](=O)C[C@H](C)CS(C)(=O)=O)cc1 ZINC000161050802 362516443 /nfs/dbraw/zinc/51/64/43/362516443.db2.gz OMYPUZYXDNQSGF-DYZYQPBXSA-N 0 0 290.406 1.484 10 70 CDIERN O=C(N[C@H]1CCOC1)N[C@H]1CCc2ccccc2C1 ZINC000159443376 359209121 /nfs/dbraw/zinc/20/91/21/359209121.db2.gz JAJCJWZRRBFLJZ-KBPBESRZSA-N 0 0 260.337 1.632 10 70 CDIERN O=C(N[C@@H]1CCOC1)N[C@H]1CCc2ccccc2C1 ZINC000159443147 359209686 /nfs/dbraw/zinc/20/96/86/359209686.db2.gz JAJCJWZRRBFLJZ-UONOGXRCSA-N 0 0 260.337 1.632 10 70 CDIERN C[C@@H](Oc1ccc(F)c(F)c1)C(=O)NC1(CO)CC1 ZINC000160242650 363792616 /nfs/dbraw/zinc/79/26/16/363792616.db2.gz RXOBQCGHYYQFFX-MRVPVSSYSA-N 0 0 271.263 1.373 10 70 CDIERN CC(C)(NC(=O)C[C@H]1CCCCC1(C)C)C(N)=O ZINC000160446330 363868238 /nfs/dbraw/zinc/86/82/38/363868238.db2.gz UIPLMDPHZPPOKV-SNVBAGLBSA-N 0 0 254.374 1.973 10 70 CDIERN CCN(CC)C(=O)C(=O)Nc1cc(C(=O)OC)cs1 ZINC000160452530 363873467 /nfs/dbraw/zinc/87/34/67/363873467.db2.gz GCTALOLPDDLFAK-UHFFFAOYSA-N 0 0 284.337 1.342 10 70 CDIERN COc1cccc(Cl)c1CC(=O)N[C@@H](C(N)=O)C(C)C ZINC000159870884 364276031 /nfs/dbraw/zinc/27/60/31/364276031.db2.gz ARKQOJZSBAARHX-CYBMUJFWSA-N 0 0 298.770 1.517 10 70 CDIERN CC1(CNC(=O)NCc2ccc(O)c(F)c2)COC1 ZINC000159853342 364273647 /nfs/dbraw/zinc/27/36/47/364273647.db2.gz RCGBKWXTFASNRA-UHFFFAOYSA-N 0 0 268.288 1.367 10 70 CDIERN COc1ccc(/C=C(/C)C(=O)NCC(=O)N(C)C)cc1F ZINC000159521963 364226341 /nfs/dbraw/zinc/22/63/41/364226341.db2.gz KHLUHRIFRYXHPP-YFHOEESVSA-N 0 0 294.326 1.442 10 70 CDIERN COc1cc(Br)cc(OC)c1OCCO ZINC000160014967 364294105 /nfs/dbraw/zinc/29/41/05/364294105.db2.gz IKVDKSMVHRVCNA-UHFFFAOYSA-N 0 0 277.114 1.837 10 70 CDIERN CC1(C)CN(C(=O)Cc2ccc(F)cc2)CCS1(=O)=O ZINC000160007883 364294533 /nfs/dbraw/zinc/29/45/33/364294533.db2.gz AOSLVRXDOHNRCZ-UHFFFAOYSA-N 0 0 299.367 1.404 10 70 CDIERN CC1(CNC(=O)NCCOc2ncccc2Cl)COC1 ZINC000160423233 364351209 /nfs/dbraw/zinc/35/12/09/364351209.db2.gz JRTOCZAPEHUUNQ-UHFFFAOYSA-N 0 0 299.758 1.450 10 70 CDIERN Cc1cc(C[C@H](C)NC(=O)CCCNC(=O)C2CC2)[nH]n1 ZINC000161108811 364449162 /nfs/dbraw/zinc/44/91/62/364449162.db2.gz YFQLBVVSKFQGEJ-JTQLQIEISA-N 0 0 292.383 1.072 10 70 CDIERN Cc1cc(C[C@H](C)NC(=O)Cc2cc(C)[nH]n2)[nH]n1 ZINC000161311493 364475924 /nfs/dbraw/zinc/47/59/24/364475924.db2.gz BSINOXHPIJSCAW-QMMMGPOBSA-N 0 0 261.329 1.040 10 70 CDIERN Cc1cc(C[C@H](C)NC(=O)Cc2ccc(C)nc2)[nH]n1 ZINC000161399479 364487784 /nfs/dbraw/zinc/48/77/84/364487784.db2.gz GMEHOLAOEOSLNX-NSHDSACASA-N 0 0 272.352 1.711 10 70 CDIERN COCC(C)(C)C(=O)Nc1cnc(N(C)C)nc1 ZINC000161497044 364502421 /nfs/dbraw/zinc/50/24/21/364502421.db2.gz VHRAPLANDLMTEB-UHFFFAOYSA-N 0 0 252.318 1.154 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)N(C)CC(F)F ZINC000160490763 377071733 /nfs/dbraw/zinc/07/17/33/377071733.db2.gz AHWAAYVQPXKXSJ-UHFFFAOYSA-N 0 0 275.255 1.207 10 70 CDIERN Cc1ccccc1CC(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000159942314 292774295 /nfs/dbraw/zinc/77/42/95/292774295.db2.gz XYWKWWNQIQRJPT-UHFFFAOYSA-N 0 0 295.404 1.573 10 70 CDIERN CCCOc1ccc(OCC(=O)NC2(CO)CC2)cc1 ZINC000160332471 292784430 /nfs/dbraw/zinc/78/44/30/292784430.db2.gz WFZPPIQMVZTIDG-UHFFFAOYSA-N 0 0 279.336 1.495 10 70 CDIERN O=C(CCc1ccc(F)cc1F)NC1(CO)CC1 ZINC000160370286 292785669 /nfs/dbraw/zinc/78/56/69/292785669.db2.gz LHABTHRFUDKZHY-UHFFFAOYSA-N 0 0 255.264 1.539 10 70 CDIERN COCCOc1ccc(NC(=O)NC2(CO)CC2)cc1F ZINC000161363673 292804593 /nfs/dbraw/zinc/80/45/93/292804593.db2.gz ZKNKIFLPPGDPMP-UHFFFAOYSA-N 0 0 298.314 1.497 10 70 CDIERN CC(C)n1nccc1C(=O)N(C)CC(=O)NC(C)(C)C ZINC000159385181 520086876 /nfs/dbraw/zinc/08/68/76/520086876.db2.gz MPIBEGBIQAPDPF-UHFFFAOYSA-N 0 0 280.372 1.451 10 70 CDIERN CCCCOC(=O)CN1CCOC[C@@H]1c1nc(C)no1 ZINC000160912547 520709131 /nfs/dbraw/zinc/70/91/31/520709131.db2.gz BFJGWZXWXJDXNO-LLVKDONJSA-N 0 0 283.328 1.095 10 70 CDIERN CCc1onc(C)c1C(=O)N1CCS[C@@H]2COCC[C@H]21 ZINC000160971551 523034888 /nfs/dbraw/zinc/03/48/88/523034888.db2.gz WCWVFUZZZQABFR-ZYHUDNBSSA-N 0 0 296.392 1.892 10 70 CDIERN CC(=O)N1CC[C@H](NC(=O)N[C@@H](C)CC(C)C)C1 ZINC000160416820 526664852 /nfs/dbraw/zinc/66/48/52/526664852.db2.gz AUHUDEZWBDZCFV-JQWIXIFHSA-N 0 0 255.362 1.341 10 70 CDIERN CC(=O)NCC(=O)N[C@H](C)c1ccccc1-n1cccn1 ZINC000159782661 361846056 /nfs/dbraw/zinc/84/60/56/361846056.db2.gz ZRFZICGSPRPERB-LLVKDONJSA-N 0 0 286.335 1.186 10 70 CDIERN COc1c(CNCc2cccnc2C)c(C)nn1C ZINC000160132385 539115410 /nfs/dbraw/zinc/11/54/10/539115410.db2.gz RIEBPLKXDMWTNC-UHFFFAOYSA-N 0 0 260.341 1.730 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)N1CC[C@@H](CC)C1 ZINC000161017114 342381853 /nfs/dbraw/zinc/38/18/53/342381853.db2.gz GTXHYDWWFMQVKP-SNVBAGLBSA-N 0 0 279.340 1.742 10 70 CDIERN COC[C@H](O)CCNC(=O)CSc1ccccc1C ZINC000160783473 362495709 /nfs/dbraw/zinc/49/57/09/362495709.db2.gz QWELVMSRJCGBLX-GFCCVEGCSA-N 0 0 283.393 1.601 10 70 CDIERN Cc1ncc(CNC(=O)NCc2cnn(C)c2C)s1 ZINC000160761398 188490042 /nfs/dbraw/zinc/49/00/42/188490042.db2.gz IRQOURFVRJUQBC-UHFFFAOYSA-N 0 0 279.369 1.493 10 70 CDIERN CCO[C@@H](C)c1noc(COc2cc(C)n(C)n2)n1 ZINC000159772214 363294957 /nfs/dbraw/zinc/29/49/57/363294957.db2.gz IBFUJXOHRJJCHY-VIFPVBQESA-N 0 0 266.301 1.788 10 70 CDIERN CCc1cc(C)c(C(=O)N2CCCC[C@@H]2CNC(N)=O)o1 ZINC000159777506 363298181 /nfs/dbraw/zinc/29/81/81/363298181.db2.gz USDBAXQNIZTAQE-LLVKDONJSA-N 0 0 293.367 1.813 10 70 CDIERN CC(=O)NCCNC(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000159795604 363313914 /nfs/dbraw/zinc/31/39/14/363313914.db2.gz DHSCUKIEAZEARI-AWEZNQCLSA-N 0 0 293.342 1.638 10 70 CDIERN CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N(C)CC2CCOCC2)C1 ZINC000159925732 363466348 /nfs/dbraw/zinc/46/63/48/363466348.db2.gz LDULGRYAILGVHD-HIFRSBDPSA-N 0 0 297.443 1.783 10 70 CDIERN Cc1cc(C(=O)N2CCC([C@H](C)O)CC2)c(C)nn1 ZINC000218152783 538525317 /nfs/dbraw/zinc/52/53/17/538525317.db2.gz BNWIMEOYLKPBPX-NSHDSACASA-N 0 0 263.341 1.326 10 70 CDIERN CCOCCC1(CNC(=O)[C@@H](C)COC)CCC1 ZINC000161166075 358789527 /nfs/dbraw/zinc/78/95/27/358789527.db2.gz BZJUIZOHHPUCOS-LBPRGKRZSA-N 0 0 257.374 1.982 10 70 CDIERN O=C([C@@H]1CCCCO1)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000160975536 296011656 /nfs/dbraw/zinc/01/16/56/296011656.db2.gz PTBBRNIFRJHADO-LSDHHAIUSA-N 0 0 291.347 1.861 10 70 CDIERN COc1ccc(C[C@H](C)C(=O)NC2(CO)CC2)cc1 ZINC000160226182 363784496 /nfs/dbraw/zinc/78/44/96/363784496.db2.gz MWYKXKQANBUXHW-NSHDSACASA-N 0 0 263.337 1.515 10 70 CDIERN COc1ccccc1[C@@H]1C[C@H]1C(=O)NC1(CO)CC1 ZINC000160284462 363808252 /nfs/dbraw/zinc/80/82/52/363808252.db2.gz AWABALYFEBBGKK-NWDGAFQWSA-N 0 0 261.321 1.440 10 70 CDIERN O=C(C[C@@H]1COC(=O)C1)N[C@H]1CCOC2(CCCC2)C1 ZINC000159525899 361730498 /nfs/dbraw/zinc/73/04/98/361730498.db2.gz LFVMQAIXXPVKOG-RYUDHWBXSA-N 0 0 281.352 1.548 10 70 CDIERN CC[C@@H](CC(=O)NC(C)(C)C(N)=O)c1ccc(OC)cc1 ZINC000160447682 363868132 /nfs/dbraw/zinc/86/81/32/363868132.db2.gz KKNBRLOKTNLFBY-NSHDSACASA-N 0 0 292.379 1.959 10 70 CDIERN C[C@H]1CN(C[C@H](O)CCc2ccccc2)CCS1(=O)=O ZINC000159527323 364228852 /nfs/dbraw/zinc/22/88/52/364228852.db2.gz GQYZEXDKBKEKJH-DZGCQCFKSA-N 0 0 297.420 1.099 10 70 CDIERN C[C@@H](CO)N(C)C(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000160378078 364342361 /nfs/dbraw/zinc/34/23/61/364342361.db2.gz IHSLMKGPYREDGP-VIFPVBQESA-N 0 0 291.269 1.967 10 70 CDIERN C[C@H](O)CCNC(=O)NCc1cn(C)nc1C(F)(F)F ZINC000160849089 364419655 /nfs/dbraw/zinc/41/96/55/364419655.db2.gz NRQSCFCMAASVEK-ZETCQYMHSA-N 0 0 294.277 1.009 10 70 CDIERN C[C@@H]1C[C@H]1NC(=O)c1csc(S(C)(=O)=O)c1 ZINC000161280348 364472679 /nfs/dbraw/zinc/47/26/79/364472679.db2.gz UHBDARCLDSPQJD-HTRCEHHLSA-N 0 0 259.352 1.290 10 70 CDIERN CC(C)Oc1nccnc1N1CCC(n2ccnn2)CC1 ZINC000160205096 377041266 /nfs/dbraw/zinc/04/12/66/377041266.db2.gz OOKJJYFQYRBDBA-UHFFFAOYSA-N 0 0 288.355 1.697 10 70 CDIERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@H](C)SC ZINC000160133454 377047790 /nfs/dbraw/zinc/04/77/90/377047790.db2.gz VTXZTUHFWYBPPR-UWVGGRQHSA-N 0 0 297.428 1.726 10 70 CDIERN CCNC(=O)C(C)(C)CNc1ncccc1C(=O)NC ZINC000161378955 377187970 /nfs/dbraw/zinc/18/79/70/377187970.db2.gz JITGLUCSJIHKQW-UHFFFAOYSA-N 0 0 278.356 1.015 10 70 CDIERN COCCc1cc(NC(=O)[C@@H](C)C2CCOCC2)n(C)n1 ZINC000160093626 139909762 /nfs/dbraw/zinc/90/97/62/139909762.db2.gz HYUNMGIUUOCVLZ-NSHDSACASA-N 0 0 295.383 1.610 10 70 CDIERN CC1CCN(C(=O)N2CCN(C3CC3)CC2)CC1 ZINC000160403008 276194237 /nfs/dbraw/zinc/19/42/37/276194237.db2.gz WQIIMJKPARSFRD-UHFFFAOYSA-N 0 0 251.374 1.618 10 70 CDIERN Cc1ncoc1C(=O)N[C@@H]1CCc2cc(N)ccc21 ZINC000159601050 292763324 /nfs/dbraw/zinc/76/33/24/292763324.db2.gz GBVSBEMCNNZJTE-GFCCVEGCSA-N 0 0 257.293 1.983 10 70 CDIERN Cc1ccc(S(=O)(=O)C[C@@H](C)CS(C)(=O)=O)cc1 ZINC000160338945 292784522 /nfs/dbraw/zinc/78/45/22/292784522.db2.gz GOSBMARVLGLMEX-NSHDSACASA-N 0 0 290.406 1.449 10 70 CDIERN CCCC1(CNC(=O)CN(C)Cc2nnc(C)n2C)CC1 ZINC000160482659 292787528 /nfs/dbraw/zinc/78/75/28/292787528.db2.gz HIILTUQRSQJVCW-UHFFFAOYSA-N 0 0 293.415 1.252 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)N[C@@H]1CCC[C@@H]1C ZINC000160507163 292788612 /nfs/dbraw/zinc/78/86/12/292788612.db2.gz YQPLUHAVXMZHJN-GZMMTYOYSA-N 0 0 279.340 1.789 10 70 CDIERN O=C(NC1(CO)CC1)c1cn(-c2ccccc2Cl)nn1 ZINC000160208553 518199247 /nfs/dbraw/zinc/19/92/47/518199247.db2.gz DQCUBKRVBBGCBG-UHFFFAOYSA-N 0 0 292.726 1.175 10 70 CDIERN CC(=O)NCC(=O)Nc1ccccc1-n1ccc(C)n1 ZINC000161253821 519654113 /nfs/dbraw/zinc/65/41/13/519654113.db2.gz SOLDYRASIGGOSX-UHFFFAOYSA-N 0 0 272.308 1.255 10 70 CDIERN CCc1onc(C)c1C(=O)N1CCS[C@H]2COCC[C@H]21 ZINC000160971420 523034567 /nfs/dbraw/zinc/03/45/67/523034567.db2.gz WCWVFUZZZQABFR-PWSUYJOCSA-N 0 0 296.392 1.892 10 70 CDIERN CC[C@@H](NS(=O)(=O)N1CCCCC1)c1nccs1 ZINC000159947809 529193954 /nfs/dbraw/zinc/19/39/54/529193954.db2.gz PHZGYFVKSBYMMI-SNVBAGLBSA-N 0 0 289.426 1.915 10 70 CDIERN CC[C@@H](NS(=O)(=O)CCOC)c1nccs1 ZINC000159957981 361970264 /nfs/dbraw/zinc/97/02/64/361970264.db2.gz QLZLXGRWTVHVMN-MRVPVSSYSA-N 0 0 264.372 1.160 10 70 CDIERN CCC(=O)N1CSC[C@@H]1C(=O)NC1CC=CC1 ZINC000161010806 539117091 /nfs/dbraw/zinc/11/70/91/539117091.db2.gz YZRACZKAJRJUDF-SNVBAGLBSA-N 0 0 254.355 1.133 10 70 CDIERN CCc1c(C(=O)Nc2ccccn2)[nH]c(C)c1C(N)=O ZINC000160373917 529491045 /nfs/dbraw/zinc/49/10/45/529491045.db2.gz ACEAHVCFVVSNFR-UHFFFAOYSA-N 0 0 272.308 1.632 10 70 CDIERN Cc1cc(C)n([C@@H](C)C(=O)N[C@H]2CCC[C@@H]2O)n1 ZINC000161128124 365956457 /nfs/dbraw/zinc/95/64/57/365956457.db2.gz DVVRFEBRQWTAIW-SRVKXCTJSA-N 0 0 251.330 1.091 10 70 CDIERN Cn1cc(CNC(=O)NCC(C)(C)O)c(C(F)(F)F)n1 ZINC000160771759 237184596 /nfs/dbraw/zinc/18/45/96/237184596.db2.gz NBISGYLLWUQMGG-UHFFFAOYSA-N 0 0 294.277 1.009 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)N1CCCSCC1 ZINC000160125499 363677016 /nfs/dbraw/zinc/67/70/16/363677016.db2.gz PDQHTWPBIJPZFF-UHFFFAOYSA-N 0 0 297.380 1.449 10 70 CDIERN CCNC(=O)c1ccc(C)c(NC(=O)NC2(CO)CC2)c1 ZINC000160729860 360861194 /nfs/dbraw/zinc/86/11/94/360861194.db2.gz FUPMOFZYGUUCDB-UHFFFAOYSA-N 0 0 291.351 1.391 10 70 CDIERN CC(C)(C)CCS(=O)(=O)N[C@H]1CCC[C@H](C(N)=O)C1 ZINC000160216437 363760855 /nfs/dbraw/zinc/76/08/55/363760855.db2.gz AUNGGDBTTFFDJS-QWRGUYRKSA-N 0 0 290.429 1.386 10 70 CDIERN CCOC(=O)CCN1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000159500284 364220727 /nfs/dbraw/zinc/22/07/27/364220727.db2.gz VZGNFAQEJUCCDE-STQMWFEESA-N 0 0 297.351 1.357 10 70 CDIERN Cc1cc(C[C@@H](C)NC(=O)CCOC2CCOCC2)[nH]n1 ZINC000161179237 364459913 /nfs/dbraw/zinc/45/99/13/364459913.db2.gz XULMPWHJPCTIGA-LLVKDONJSA-N 0 0 295.383 1.351 10 70 CDIERN CC(C)(C(=O)NC[C@H]1CC[C@H](C(N)=O)O1)c1cccs1 ZINC000160930569 364429431 /nfs/dbraw/zinc/42/94/31/364429431.db2.gz RKTVSPKOVYXSMK-NXEZZACHSA-N 0 0 296.392 1.175 10 70 CDIERN O=C(CNC(=O)NCc1ccco1)NCCC1=CCCC1 ZINC000161193656 364462677 /nfs/dbraw/zinc/46/26/77/364462677.db2.gz KLSWPSULUOAMBO-UHFFFAOYSA-N 0 0 291.351 1.695 10 70 CDIERN CN(Cc1ccccc1)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000161236116 364467046 /nfs/dbraw/zinc/46/70/46/364467046.db2.gz SRMRMVZBHKDWMA-ZDUSSCGKSA-N 0 0 285.351 1.435 10 70 CDIERN C[C@@]1(NC(=O)c2cc(S(C)(=O)=O)cs2)CCOC1 ZINC000161450217 364494938 /nfs/dbraw/zinc/49/49/38/364494938.db2.gz KUNRLYVZXDODAF-LLVKDONJSA-N 0 0 289.378 1.060 10 70 CDIERN O=C(N[C@H]1CCc2ncnn2C1)N1CCc2ccccc2C1 ZINC000161186384 364460727 /nfs/dbraw/zinc/46/07/27/364460727.db2.gz AFLHOSNKQHQOLP-AWEZNQCLSA-N 0 0 297.362 1.361 10 70 CDIERN CCC(CC)CNC(=O)Nc1cnn(CC(=O)NC)c1 ZINC000160538620 370299266 /nfs/dbraw/zinc/29/92/66/370299266.db2.gz GCTVFWOGPRLHKB-UHFFFAOYSA-N 0 0 281.360 1.187 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)NC[C@@H]1CC=CCC1 ZINC000160322611 377057157 /nfs/dbraw/zinc/05/71/57/377057157.db2.gz UQQMKSIKFGHNGT-LLVKDONJSA-N 0 0 291.351 1.956 10 70 CDIERN COC(=O)CNC(=O)c1cc(C)c(F)cc1Cl ZINC000161258966 377513437 /nfs/dbraw/zinc/51/34/37/377513437.db2.gz HCKNASBHRLCGNH-UHFFFAOYSA-N 0 0 259.664 1.690 10 70 CDIERN COCCC1(CNC(=O)N(C)[C@@H]2CCOC2)CC1 ZINC000160994668 533195428 /nfs/dbraw/zinc/19/54/28/533195428.db2.gz CMHDBLIIMCJWQB-LLVKDONJSA-N 0 0 256.346 1.233 10 70 CDIERN Cn1cnc2cc(C(=O)N3CCC[C@@H]3C(C)(C)O)cnc21 ZINC000160930327 279876426 /nfs/dbraw/zinc/87/64/26/279876426.db2.gz ULBUSJWVQZGXIL-GFCCVEGCSA-N 0 0 288.351 1.344 10 70 CDIERN Cc1noc(Cl)c1CC(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000160122398 292777875 /nfs/dbraw/zinc/77/78/75/292777875.db2.gz WPTFHWXAFYQUMU-WPRPVWTQSA-N 0 0 272.732 1.863 10 70 CDIERN COc1cccc([C@@H]2C[C@@H]2C(=O)NC2(CO)CC2)c1 ZINC000160319406 292783833 /nfs/dbraw/zinc/78/38/33/292783833.db2.gz LCRUUCSVXODRQM-STQMWFEESA-N 0 0 261.321 1.440 10 70 CDIERN Cc1c(C(=O)N[C@@H](C)CC(C)C)cccc1S(N)(=O)=O ZINC000161296416 292803812 /nfs/dbraw/zinc/80/38/12/292803812.db2.gz DCCNVHDXXUZISG-JTQLQIEISA-N 0 0 298.408 1.807 10 70 CDIERN CCC[C@@H](NC(=O)c1cc(OC)no1)C(=O)OC(C)(C)C ZINC000161445728 520753257 /nfs/dbraw/zinc/75/32/57/520753257.db2.gz YUMWYEUDQREUJW-SECBINFHSA-N 0 0 298.339 1.923 10 70 CDIERN COc1cccc(Cl)c1CC(=O)Nc1nc(C)nn1C ZINC000161057688 526097384 /nfs/dbraw/zinc/09/73/84/526097384.db2.gz JGTBUBRAXTWUTQ-UHFFFAOYSA-N 0 0 294.742 1.967 10 70 CDIERN O=C(N[C@@H]1CCO[C@H](C2CC2)C1)N[C@H]1CCCC[C@H]1O ZINC000160535898 526939746 /nfs/dbraw/zinc/93/97/46/526939746.db2.gz KNBAVNOMKPGVMY-RQJABVFESA-N 0 0 282.384 1.547 10 70 CDIERN CCCCCNC(=O)Cn1cnn(C(C)(C)C)c1=O ZINC000159599542 361745582 /nfs/dbraw/zinc/74/55/82/361745582.db2.gz XOBVJDZACRNOLY-UHFFFAOYSA-N 0 0 268.361 1.106 10 70 CDIERN O=C(Nc1nc2ccccc2s1)NC1(CO)CC1 ZINC000159842111 539114772 /nfs/dbraw/zinc/11/47/72/539114772.db2.gz QISNGCZCJGLDFY-UHFFFAOYSA-N 0 0 263.322 1.943 10 70 CDIERN CCOC(=O)C[C@H](C)NC(=O)CCc1ccccc1O ZINC000160155635 362039199 /nfs/dbraw/zinc/03/91/99/362039199.db2.gz BZCVWYCIQKKSMT-NSHDSACASA-N 0 0 279.336 1.783 10 70 CDIERN O=C(CCCOc1ccc(F)cc1)NC1(CO)CC1 ZINC000159848542 362376039 /nfs/dbraw/zinc/37/60/39/362376039.db2.gz QMCJMMCVRVWDBK-UHFFFAOYSA-N 0 0 267.300 1.626 10 70 CDIERN CC(C)n1cnnc1SCC(=O)N[C@@H](C)[C@H](C)CO ZINC000160374562 362419324 /nfs/dbraw/zinc/41/93/24/362419324.db2.gz DKGARAJULOYRGL-ZJUUUORDSA-N 0 0 286.401 1.084 10 70 CDIERN C[C@@H]1C[C@@H](C)CN(C(=O)Cn2cnn(C(C)(C)C)c2=O)C1 ZINC000159618812 363066320 /nfs/dbraw/zinc/06/63/20/363066320.db2.gz VKGVDGZNFSOFOB-VXGBXAGGSA-N 0 0 294.399 1.304 10 70 CDIERN COC[C@@H](C)C(=O)NCc1cccnc1OCC(F)F ZINC000160452822 188474070 /nfs/dbraw/zinc/47/40/70/188474070.db2.gz CUQDLPKXVCRVRK-SECBINFHSA-N 0 0 288.294 1.624 10 70 CDIERN COC[C@H](C)C(=O)N[C@@H]1CCN(c2ccccc2OC)C1 ZINC000161025807 188503889 /nfs/dbraw/zinc/50/38/89/188503889.db2.gz IWWVNJFBTIJOMH-QWHCGFSZSA-N 0 0 292.379 1.673 10 70 CDIERN Cc1ccc(NC(=O)C(=O)NC(C)(C)[C@@H](C)O)cc1 ZINC000161101664 188508175 /nfs/dbraw/zinc/50/81/75/188508175.db2.gz UIJIRMDJXPWBQC-SNVBAGLBSA-N 0 0 264.325 1.209 10 70 CDIERN O=C(CNC(=O)c1cccnc1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000161329561 188521930 /nfs/dbraw/zinc/52/19/30/188521930.db2.gz VHNYLGUUYCMDPN-JSGCOSHPSA-N 0 0 287.363 1.603 10 70 CDIERN COC(=O)c1cn(CCc2ccc(OC)cc2)nn1 ZINC000218182562 357548845 /nfs/dbraw/zinc/54/88/45/357548845.db2.gz YNWWAEUDAFSCLC-UHFFFAOYSA-N 0 0 261.281 1.316 10 70 CDIERN C[C@H](Oc1cccc(CO)c1)C(=O)NC[C@@H]1CCCO1 ZINC000160676613 360720657 /nfs/dbraw/zinc/72/06/57/360720657.db2.gz RFKLHQRRJPBBQG-FZMZJTMJSA-N 0 0 279.336 1.241 10 70 CDIERN C[C@@H](CC(=O)NC1(CO)CC1)NC(=O)C1CCCCC1 ZINC000160233657 363788566 /nfs/dbraw/zinc/78/85/66/363788566.db2.gz MAPPXOPSKHVQSE-NSHDSACASA-N 0 0 282.384 1.103 10 70 CDIERN CCSc1cc(C(=O)NC2(CO)CC2)ccn1 ZINC000160355160 363832709 /nfs/dbraw/zinc/83/27/09/363832709.db2.gz HQXKDXRLKVTPRL-UHFFFAOYSA-N 0 0 252.339 1.448 10 70 CDIERN O=C(NCc1cc(=O)[nH]c2ccccc12)[C@H]1CCCCO1 ZINC000159709878 364254304 /nfs/dbraw/zinc/25/43/04/364254304.db2.gz JDFPHJDIDLGBOR-CQSZACIVSA-N 0 0 286.331 1.713 10 70 CDIERN CCc1nnc(CN(C)CCc2ncc(C)s2)[nH]1 ZINC000159524930 364226997 /nfs/dbraw/zinc/22/69/97/364226997.db2.gz HXSUQGMWGNTVPJ-UHFFFAOYSA-N 0 0 265.386 1.807 10 70 CDIERN O=S(=O)(Cc1ccccc1F)C1CCOCC1 ZINC000160043050 364298632 /nfs/dbraw/zinc/29/86/32/364298632.db2.gz LYJUGFSXNLDBBI-UHFFFAOYSA-N 0 0 258.314 1.920 10 70 CDIERN C[C@@H]1CN(c2ccc3ccccc3n2)CCS1(=O)=O ZINC000160744224 364404499 /nfs/dbraw/zinc/40/44/99/364404499.db2.gz MQTBXJBYMXZZRH-LLVKDONJSA-N 0 0 276.361 1.858 10 70 CDIERN Cc1cc(C[C@H](C)NC(=O)c2cnn(C)c2C)[nH]n1 ZINC000161100081 364448873 /nfs/dbraw/zinc/44/88/73/364448873.db2.gz TXCLMOMIAISVPJ-QMMMGPOBSA-N 0 0 261.329 1.121 10 70 CDIERN Cc1cc(C[C@@H](C)NC(=O)[C@H](C)c2cccnc2)[nH]n1 ZINC000161279049 364472862 /nfs/dbraw/zinc/47/28/62/364472862.db2.gz PDHFIOOWILCDJP-ZYHUDNBSSA-N 0 0 272.352 1.964 10 70 CDIERN CCc1ccc(NC(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000161294056 364475594 /nfs/dbraw/zinc/47/55/94/364475594.db2.gz QGZSHJZGVFEAFM-ZDUSSCGKSA-N 0 0 285.351 1.977 10 70 CDIERN CC(C)c1noc2ncc(C(=O)N(C)[C@H](C)CO)cc21 ZINC000160398637 377060587 /nfs/dbraw/zinc/06/05/87/377060587.db2.gz AQKKPMRXZQAIQA-SECBINFHSA-N 0 0 277.324 1.799 10 70 CDIERN CCc1ncnc(NC2CCC(C(N)=O)CC2)c1F ZINC000218011450 140164760 /nfs/dbraw/zinc/16/47/60/140164760.db2.gz PZXHYDCXJDOXQX-UHFFFAOYSA-N 0 0 266.320 1.634 10 70 CDIERN COC(C)(C)C[C@H](C)NC(=O)c1cnc2c(c1)ncn2C ZINC000160613777 147720790 /nfs/dbraw/zinc/72/07/90/147720790.db2.gz KWRNYBPFIFBISU-JTQLQIEISA-N 0 0 290.367 1.902 10 70 CDIERN CCC(C)(C)[C@@H]1CCCN1C(=O)C1(NC(N)=O)CC1 ZINC000159614299 282032362 /nfs/dbraw/zinc/03/23/62/282032362.db2.gz CWMGUJMFWXCCOA-JTQLQIEISA-N 0 0 267.373 1.615 10 70 CDIERN O=S(=O)(CCCOCC(F)(F)F)C1CCOCC1 ZINC000160057966 292776302 /nfs/dbraw/zinc/77/63/02/292776302.db2.gz OOGCBJQDCNGUQH-UHFFFAOYSA-N 0 0 290.303 1.549 10 70 CDIERN C[C@H](CC(=O)NC1(CO)CC1)NC(=O)C1CCCCC1 ZINC000160233762 292781363 /nfs/dbraw/zinc/78/13/63/292781363.db2.gz MAPPXOPSKHVQSE-LLVKDONJSA-N 0 0 282.384 1.103 10 70 CDIERN O=C(Cc1ccccc1C(F)(F)F)NC1(CO)CC1 ZINC000160307846 292782976 /nfs/dbraw/zinc/78/29/76/292782976.db2.gz NCAGMDMFIPBWNK-UHFFFAOYSA-N 0 0 273.254 1.889 10 70 CDIERN C[C@@H](CS(C)(=O)=O)CS(=O)(=O)c1ccccc1F ZINC000160345275 292784415 /nfs/dbraw/zinc/78/44/15/292784415.db2.gz ZLPZENGOBWNFAW-VIFPVBQESA-N 0 0 294.369 1.280 10 70 CDIERN CC(C)N(C[C@@H](C)O)C(=O)NCc1ccc(C(N)=O)cc1 ZINC000160567461 292789990 /nfs/dbraw/zinc/78/99/90/292789990.db2.gz TZHWKJHZYXMBDH-LLVKDONJSA-N 0 0 293.367 1.086 10 70 CDIERN O=C(Nc1ccccc1)N1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000160702434 482818950 /nfs/dbraw/zinc/81/89/50/482818950.db2.gz GXYZESURJOUEHP-YPMHNXCESA-N 0 0 273.336 1.819 10 70 CDIERN CC(C)(C(=O)N1CCNC(=O)CC1)c1ccccc1F ZINC000161452934 518513918 /nfs/dbraw/zinc/51/39/18/518513918.db2.gz DMQDEHWVJMBPJQ-UHFFFAOYSA-N 0 0 278.327 1.452 10 70 CDIERN CC(C)C(=O)N1CCC[C@@H]1C(=O)N(C)Cc1cccn1C ZINC000160793735 519463889 /nfs/dbraw/zinc/46/38/89/519463889.db2.gz UXOFNNVGJGMPDB-CQSZACIVSA-N 0 0 291.395 1.631 10 70 CDIERN CC(C)CNC(=O)N1CCCC[C@H]1[C@H]1CNC(=O)C1 ZINC000160672684 519736107 /nfs/dbraw/zinc/73/61/07/519736107.db2.gz ASBRLXHPKRRUQC-NEPJUHHUSA-N 0 0 267.373 1.343 10 70 CDIERN COCCNC(=O)N1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000160742199 523903443 /nfs/dbraw/zinc/90/34/43/523903443.db2.gz GSLHBHJNQNQUCR-CQSZACIVSA-N 0 0 296.342 1.863 10 70 CDIERN C[C@@H](C1CC1)N(C)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000161217650 524316379 /nfs/dbraw/zinc/31/63/79/524316379.db2.gz XDNJSFZQBAJOOK-GXSJLCMTSA-N 0 0 263.345 1.033 10 70 CDIERN Cc1ccn(-c2ccccc2NC(=O)[C@@H](C)NC(N)=O)n1 ZINC000161209497 525567107 /nfs/dbraw/zinc/56/71/07/525567107.db2.gz NCVXSCWAWVEWLT-SNVBAGLBSA-N 0 0 287.323 1.176 10 70 CDIERN Cc1cc(C(=O)Nc2cc(C3CC3)nc(C)n2)n(C)n1 ZINC000160044685 539115225 /nfs/dbraw/zinc/11/52/25/539115225.db2.gz AZSMUEJPWJVAJW-UHFFFAOYSA-N 0 0 271.324 1.957 10 70 CDIERN C[C@@H](NC(=O)CC1CCCCC1)C(=O)NC1(CO)CC1 ZINC000160262867 539115725 /nfs/dbraw/zinc/11/57/25/539115725.db2.gz UCNIXZZDAYKHBQ-LLVKDONJSA-N 0 0 282.384 1.103 10 70 CDIERN O=C(NC1(CO)CC1)c1cc(N2CCCC2=O)ccc1F ZINC000160340436 539115847 /nfs/dbraw/zinc/11/58/47/539115847.db2.gz TWJVPAVDEMBLQS-UHFFFAOYSA-N 0 0 292.310 1.207 10 70 CDIERN CCCCNC(=O)N1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000160679358 539116286 /nfs/dbraw/zinc/11/62/86/539116286.db2.gz RFINARPCBIBJPA-NWDGAFQWSA-N 0 0 267.373 1.487 10 70 CDIERN CCC(CC)NC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000159964975 362382055 /nfs/dbraw/zinc/38/20/55/362382055.db2.gz PCYAEDWYJHAVFY-TYNCELHUSA-N 0 0 268.401 1.824 10 70 CDIERN CC[C@@H](CCO)NC(=O)[C@H](C)NC(=O)c1ccccc1 ZINC000160098163 362393739 /nfs/dbraw/zinc/39/37/39/362393739.db2.gz DDBWSBDXRWUVGU-AAEUAGOBSA-N 0 0 278.352 1.082 10 70 CDIERN CCc1nnc(CN[C@@H](COC)c2ccccc2)[nH]1 ZINC000160394694 362420476 /nfs/dbraw/zinc/42/04/76/362420476.db2.gz ZECSWRQRZMETJH-LBPRGKRZSA-N 0 0 260.341 1.844 10 70 CDIERN Cc1nnc2c(N3CC[C@@]4(O)CCCC[C@@H]4C3)nccn12 ZINC000160648294 362460795 /nfs/dbraw/zinc/46/07/95/362460795.db2.gz OYBYTNDPJWEKBG-DOMZBBRYSA-N 0 0 287.367 1.564 10 70 CDIERN CS[C@H](C)CNC(=O)N[C@@H]1CCCn2ncnc21 ZINC000159542630 188431329 /nfs/dbraw/zinc/43/13/29/188431329.db2.gz XMRUNOAGIBARJI-RKDXNWHRSA-N 0 0 269.374 1.164 10 70 CDIERN Cn1ncc2c1ncnc2N[C@@H]1CCCCC[C@@H]1C(N)=O ZINC000160727826 360836066 /nfs/dbraw/zinc/83/60/66/360836066.db2.gz CCAMYFSKZJJXAG-GXSJLCMTSA-N 0 0 288.355 1.209 10 70 CDIERN O=C(NC1(CO)CC1)c1cccc(OCc2cccnc2)c1 ZINC000160294829 363802914 /nfs/dbraw/zinc/80/29/14/363802914.db2.gz FUSZYYJDIPUTMP-UHFFFAOYSA-N 0 0 298.342 1.915 10 70 CDIERN CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(CO)CC1 ZINC000160455933 363875445 /nfs/dbraw/zinc/87/54/45/363875445.db2.gz MWZVRHKCRWIBBP-JTQLQIEISA-N 0 0 286.372 1.321 10 70 CDIERN CCCNC(=O)N[C@@H](C)Cn1ncc2ccccc2c1=O ZINC000160581127 364044422 /nfs/dbraw/zinc/04/44/22/364044422.db2.gz DJOTYUXFYPTQMI-NSHDSACASA-N 0 0 288.351 1.494 10 70 CDIERN COc1nc(C)nc(N(C)C[C@H]2CCOC2)c1C ZINC000159418703 364202699 /nfs/dbraw/zinc/20/26/99/364202699.db2.gz HVHYRXNNBLQCCZ-LLVKDONJSA-N 0 0 251.330 1.575 10 70 CDIERN CS(=O)(=O)c1ccc(N2CCN(C3CC3)CC2)cc1 ZINC000159361313 364189741 /nfs/dbraw/zinc/18/97/41/364189741.db2.gz HWZFWCQMALDSJN-UHFFFAOYSA-N 0 0 280.393 1.375 10 70 CDIERN C[C@@H](NC(=O)N[C@@H]1CCC(=O)N(C)C1)c1cccc(O)c1 ZINC000159779242 364263681 /nfs/dbraw/zinc/26/36/81/364263681.db2.gz ZKXIWWOYISWPJB-ZYHUDNBSSA-N 0 0 291.351 1.373 10 70 CDIERN CNC(=O)C(C)(C)CNc1nnc(C(C)C)s1 ZINC000161082867 364444919 /nfs/dbraw/zinc/44/49/19/364444919.db2.gz FTUYBHBOODITKU-UHFFFAOYSA-N 0 0 256.375 1.846 10 70 CDIERN COc1cccc(O[C@@H](C)CNC(=O)C[C@H](O)C(C)C)c1 ZINC000161104925 364448514 /nfs/dbraw/zinc/44/85/14/364448514.db2.gz QOXATGHWCQBJSR-WFASDCNBSA-N 0 0 295.379 1.986 10 70 CDIERN Cc1cc(C[C@H](C)NC(=O)c2cnc3n[nH]c(C)c3c2)[nH]n1 ZINC000161399342 364488088 /nfs/dbraw/zinc/48/80/88/364488088.db2.gz VNIQKZPRYPMTFZ-QMMMGPOBSA-N 0 0 298.350 1.659 10 70 CDIERN CC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC000161508426 364504858 /nfs/dbraw/zinc/50/48/58/364504858.db2.gz ARZNZOPFCSMQLS-YVSFHVDLSA-N 0 0 298.386 1.699 10 70 CDIERN CCC[C@H]1CN(C(=O)NCc2cscn2)CCO1 ZINC000160813331 377120509 /nfs/dbraw/zinc/12/05/09/377120509.db2.gz CCFPDMJNVCOXCE-NSHDSACASA-N 0 0 269.370 1.854 10 70 CDIERN CCc1cccc(CC(=O)N[C@H]2CCCC[C@H]2C(N)=O)c1 ZINC000161281849 377202991 /nfs/dbraw/zinc/20/29/91/377202991.db2.gz QRRHOTAZSKVFMW-CABCVRRESA-N 0 0 288.391 1.952 10 70 CDIERN CCc1oc(C(=O)NCC(=O)NCc2ccco2)cc1C ZINC000159548520 292760949 /nfs/dbraw/zinc/76/09/49/292760949.db2.gz UNLOERWGKJHBLF-UHFFFAOYSA-N 0 0 290.319 1.790 10 70 CDIERN COC[C@@H](C)C(=O)N(C)CC(C)(C)CN1CCOCC1 ZINC000159612005 292762919 /nfs/dbraw/zinc/76/29/19/292762919.db2.gz BQMVWIXSVLNXNU-CYBMUJFWSA-N 0 0 286.416 1.086 10 70 CDIERN C[C@@H](CSCCOC[C@@H]1CCCO1)CS(C)(=O)=O ZINC000159815427 292770139 /nfs/dbraw/zinc/77/01/39/292770139.db2.gz CGPFEQWKIATKQX-RYUDHWBXSA-N 0 0 296.454 1.596 10 70 CDIERN COC(=O)CCCCNC(=O)N(C)C[C@@H]1CCC[C@H]1O ZINC000160125098 292777914 /nfs/dbraw/zinc/77/79/14/292777914.db2.gz NGBJMQYGNASKFQ-NWDGAFQWSA-N 0 0 286.372 1.132 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)N1CCC[C@@H](C)C1 ZINC000160138305 292778532 /nfs/dbraw/zinc/77/85/32/292778532.db2.gz DROQQLWDZHVMTB-SECBINFHSA-N 0 0 279.340 1.742 10 70 CDIERN O=C(NC1(CO)CC1)c1cc(-c2cccs2)n[nH]1 ZINC000160222103 292780634 /nfs/dbraw/zinc/78/06/34/292780634.db2.gz VWUGPJWSFAFTNV-UHFFFAOYSA-N 0 0 263.322 1.393 10 70 CDIERN O=C(Cc1ccc(F)cc1Cl)NC1(CO)CC1 ZINC000160317828 292783627 /nfs/dbraw/zinc/78/36/27/292783627.db2.gz FRRKCFGVCIFUFS-UHFFFAOYSA-N 0 0 257.692 1.663 10 70 CDIERN C[C@@H](Oc1cccc(CO)c1)C(=O)NC[C@@H]1CCCO1 ZINC000160676718 292792357 /nfs/dbraw/zinc/79/23/57/292792357.db2.gz RFKLHQRRJPBBQG-RISCZKNCSA-N 0 0 279.336 1.241 10 70 CDIERN CCC[C@H](NC(=O)[C@@H](C)COC)C(=O)OC(C)(C)C ZINC000161430434 521135647 /nfs/dbraw/zinc/13/56/47/521135647.db2.gz GJPUTNSXONZYQZ-QWRGUYRKSA-N 0 0 273.373 1.896 10 70 CDIERN COc1cccc(CNC(=O)[C@H]2CCn3ccnc3C2)n1 ZINC000161057574 526001342 /nfs/dbraw/zinc/00/13/42/526001342.db2.gz BJLKTGFHKQBRHQ-NSHDSACASA-N 0 0 286.335 1.166 10 70 CDIERN Cc1noc([C@@H]2COCCN2Cc2ccc(CO)cc2)n1 ZINC000161128817 526658151 /nfs/dbraw/zinc/65/81/51/526658151.db2.gz QOWMICQTUKHDHA-AWEZNQCLSA-N 0 0 289.335 1.444 10 70 CDIERN C[C@@H](NC(N)=O)C(=O)N[C@@H]1CCCc2sccc21 ZINC000160011933 362001915 /nfs/dbraw/zinc/00/19/15/362001915.db2.gz UCEAXVVTEHRPDW-VXNVDRBHSA-N 0 0 267.354 1.299 10 70 CDIERN COc1cc(CCNC(=O)[C@@H]2CC[C@@H](C)O2)ccc1O ZINC000159767733 539114694 /nfs/dbraw/zinc/11/46/94/539114694.db2.gz LOCHKSOZHZZBNG-MFKMUULPSA-N 0 0 279.336 1.627 10 70 CDIERN Cc1nc(NC(=O)COC[C@H]2CCCO2)cc(C2CC2)n1 ZINC000159943343 539115128 /nfs/dbraw/zinc/11/51/28/539115128.db2.gz MHQGPPXDIHBLJS-GFCCVEGCSA-N 0 0 291.351 1.797 10 70 CDIERN CCN(Cc1ccoc1)C(=O)CNC(=O)c1cccnc1 ZINC000160647564 539116199 /nfs/dbraw/zinc/11/61/99/539116199.db2.gz SLWDKIMSLNKZDE-UHFFFAOYSA-N 0 0 287.319 1.453 10 70 CDIERN CCc1c(C(=O)N2C[C@@H](C)OC[C@@H]2C)[nH]c(C)c1C(N)=O ZINC000161132381 362691934 /nfs/dbraw/zinc/69/19/34/362691934.db2.gz JLTIXYCFLIGREM-DTWKUNHWSA-N 0 0 293.367 1.234 10 70 CDIERN CN(C(=O)[C@@]1(C)CCCO1)c1ccc2c(c1)OCO2 ZINC000160138317 188457382 /nfs/dbraw/zinc/45/73/82/188457382.db2.gz NSJGEXKQBIXYNO-CQSZACIVSA-N 0 0 263.293 1.947 10 70 CDIERN CC(C)N(CCc1nccs1)Cc1nncn1C ZINC000159737964 363255003 /nfs/dbraw/zinc/25/50/03/363255003.db2.gz QOUBGFBOALBXBO-UHFFFAOYSA-N 0 0 265.386 1.725 10 70 CDIERN CCCc1nc(CSC[C@@H](C)CS(C)(=O)=O)no1 ZINC000159746980 363271020 /nfs/dbraw/zinc/27/10/20/363271020.db2.gz OQMFWVOYDXBMKD-SECBINFHSA-N 0 0 292.426 1.936 10 70 CDIERN Cc1ccc(C)c(OCCC(=O)NC2(CO)CC2)c1 ZINC000159835331 237158333 /nfs/dbraw/zinc/15/83/33/237158333.db2.gz SUZOTYPEKBEUAW-UHFFFAOYSA-N 0 0 263.337 1.713 10 70 CDIERN COCCC1(CNC(=O)NC[C@H]2CCC[C@@H]2O)CC1 ZINC000161136701 237192849 /nfs/dbraw/zinc/19/28/49/237192849.db2.gz VOEZEYQGFHHYIA-NEPJUHHUSA-N 0 0 270.373 1.263 10 70 CDIERN Cc1ccsc1[C@@H]1C[C@H]1C(=O)NC1(CO)CC1 ZINC000160199747 363750901 /nfs/dbraw/zinc/75/09/01/363750901.db2.gz YTSIBDZFTYPRGY-NXEZZACHSA-N 0 0 251.351 1.801 10 70 CDIERN COc1cccc([C@H]2C[C@H]2C(=O)N(C)[C@H](C)CO)c1 ZINC000160529660 363968641 /nfs/dbraw/zinc/96/86/41/363968641.db2.gz YTGSTAVIPQLUAU-LERXQTSPSA-N 0 0 263.337 1.638 10 70 CDIERN C[C@@H](O)CCNC(=O)Cc1ccc(F)cc1Cl ZINC000161158663 364456286 /nfs/dbraw/zinc/45/62/86/364456286.db2.gz GZZNOUSKFYNCCW-MRVPVSSYSA-N 0 0 259.708 1.909 10 70 CDIERN CCO[C@H](C)C(=O)N[C@@H]1CCN(c2ccccc2OC)C1 ZINC000161172428 364457735 /nfs/dbraw/zinc/45/77/35/364457735.db2.gz AKEDXBJIUARVEI-CHWSQXEVSA-N 0 0 292.379 1.815 10 70 CDIERN Cc1cccc(CNC(=O)CCNC(=O)CC(C)C)n1 ZINC000161145345 367302163 /nfs/dbraw/zinc/30/21/63/367302163.db2.gz RKQQSZCIYSJCNZ-UHFFFAOYSA-N 0 0 277.368 1.559 10 70 CDIERN CCOCCO[C@H]1CCN(C(=O)[C@H](C)C2CCOCC2)C1 ZINC000161299064 377564162 /nfs/dbraw/zinc/56/41/62/377564162.db2.gz DKBWNMJRCFJRPL-HIFRSBDPSA-N 0 0 299.411 1.703 10 70 CDIERN Cc1nc(S(=O)(=O)N2CCc3ccc(F)cc32)c[nH]1 ZINC000218022668 130765276 /nfs/dbraw/zinc/76/52/76/130765276.db2.gz APGMXXRBOPGKDD-UHFFFAOYSA-N 0 0 281.312 1.609 10 70 CDIERN Cn1cnc2cc(C(=O)N[C@H]3C=CCCC3)cnc21 ZINC000159965071 139908166 /nfs/dbraw/zinc/90/81/66/139908166.db2.gz SVGRBYRUIHSFJH-NSHDSACASA-N 0 0 256.309 1.807 10 70 CDIERN C[C@H]1CN(c2ccc3ccc(F)cc3n2)CCS1(=O)=O ZINC000160733673 278443066 /nfs/dbraw/zinc/44/30/66/278443066.db2.gz SPFXFTOKSHPVKH-JTQLQIEISA-N 0 0 294.351 1.997 10 70 CDIERN O=C(NC1(CO)CC1)c1cnn(-c2ccccc2Cl)c1 ZINC000160208826 292779874 /nfs/dbraw/zinc/77/98/74/292779874.db2.gz UMVGZCNHMQFXOA-UHFFFAOYSA-N 0 0 291.738 1.780 10 70 CDIERN O=C(Cc1ccc(Br)s1)NC1(CO)CC1 ZINC000160478193 292787524 /nfs/dbraw/zinc/78/75/24/292787524.db2.gz BOGMHJSIKHGDMD-UHFFFAOYSA-N 0 0 290.182 1.694 10 70 CDIERN CC(=O)CCC(C)(C)C(=O)N[C@H](CO)CC(C)C ZINC000160843229 292795368 /nfs/dbraw/zinc/79/53/68/292795368.db2.gz DPYGVOKTIWAFQP-LBPRGKRZSA-N 0 0 257.374 1.905 10 70 CDIERN CCCC(C)(C)NC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000161241851 519882482 /nfs/dbraw/zinc/88/24/82/519882482.db2.gz NPWMRWUFGKOJJN-SNVBAGLBSA-N 0 0 265.361 1.471 10 70 CDIERN CCOC(=O)C[C@@H](C)NC(=O)c1ccc(C)nc1C ZINC000160343887 520832612 /nfs/dbraw/zinc/83/26/12/520832612.db2.gz MTRWNUXYMAHFBH-SNVBAGLBSA-N 0 0 264.325 1.770 10 70 CDIERN CS(=O)(=O)CCCCS(=O)(=O)c1ccc(F)cc1 ZINC000160304661 539115662 /nfs/dbraw/zinc/11/56/62/539115662.db2.gz MEOVGIKSRYXNOR-UHFFFAOYSA-N 0 0 294.369 1.424 10 70 CDIERN CCc1nnc(CN2CCC[C@H](Cc3nccn3C)C2)[nH]1 ZINC000160147578 362039755 /nfs/dbraw/zinc/03/97/55/362039755.db2.gz RDQSLKWZHHZBEO-GFCCVEGCSA-N 0 0 288.399 1.555 10 70 CDIERN Cc1nn(C)c(CN(C)[C@H]2CCOC2)c1Br ZINC000160696410 362470580 /nfs/dbraw/zinc/47/05/80/362470580.db2.gz LEFCEGHAYSENBC-VIFPVBQESA-N 0 0 288.189 1.712 10 70 CDIERN C[C@H](CO)N(C)S(=O)(=O)c1cccc2ncccc21 ZINC000160954381 362569064 /nfs/dbraw/zinc/56/90/64/362569064.db2.gz KSXNXQDVDLBDTP-SNVBAGLBSA-N 0 0 280.349 1.236 10 70 CDIERN CC[C@@H](NS(=O)(=O)c1cccnc1)c1nccs1 ZINC000159987143 345339986 /nfs/dbraw/zinc/33/99/86/345339986.db2.gz UPUFAMZMMIQAHM-SNVBAGLBSA-N 0 0 283.378 1.968 10 70 CDIERN CSC[C@H](C)C(=O)N1CCC(OCCCO)CC1 ZINC000160195523 345630337 /nfs/dbraw/zinc/63/03/37/345630337.db2.gz JYUDENRHTANQKO-NSHDSACASA-N 0 0 275.414 1.376 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)N[C@@H](COC)C1CC1 ZINC000161152526 362702329 /nfs/dbraw/zinc/70/23/29/362702329.db2.gz SUBSYSMOCNHPGF-NSHDSACASA-N 0 0 295.339 1.025 10 70 CDIERN CCOC(=O)C[C@H](C)NC(=O)c1cc(C)nn1CC ZINC000160846635 346643168 /nfs/dbraw/zinc/64/31/68/346643168.db2.gz YZXHCQLHGYPZRN-VIFPVBQESA-N 0 0 267.329 1.283 10 70 CDIERN O[C@@H](C[C@@H]1COCCN1Cc1ccon1)c1ccco1 ZINC000159365258 188422499 /nfs/dbraw/zinc/42/24/99/188422499.db2.gz SIRCZTRAHFAKQN-OLZOCXBDSA-N 0 0 278.308 1.592 10 70 CDIERN CC1(CNC(=O)N2CCO[C@H](c3cccs3)C2)COC1 ZINC000160424662 188472062 /nfs/dbraw/zinc/47/20/62/188472062.db2.gz PUMURRSMSUPVCB-NSHDSACASA-N 0 0 296.392 1.868 10 70 CDIERN Cc1ccccc1-c1noc(=O)n1CCn1ccnc1 ZINC000160118483 363676099 /nfs/dbraw/zinc/67/60/99/363676099.db2.gz CDGOOEUJIWGFOC-UHFFFAOYSA-N 0 0 270.292 1.708 10 70 CDIERN CCOc1ccc(NC(=O)NC2(CO)CC2)cc1OC ZINC000160311374 363819211 /nfs/dbraw/zinc/81/92/11/363819211.db2.gz DRDBQTIWKMFJQS-UHFFFAOYSA-N 0 0 280.324 1.740 10 70 CDIERN COc1nc(C)nc(NCCCc2cnn(C)c2)c1C ZINC000159375383 364193398 /nfs/dbraw/zinc/19/33/98/364193398.db2.gz VDILTAFOFPGDQH-UHFFFAOYSA-N 0 0 275.356 1.880 10 70 CDIERN CC1(C)CN(C(=O)c2cccc(F)c2)CCS1(=O)=O ZINC000159926676 364281466 /nfs/dbraw/zinc/28/14/66/364281466.db2.gz VTWJZWNTEYPZIV-UHFFFAOYSA-N 0 0 285.340 1.475 10 70 CDIERN CC1(C)CN(C(=O)Cc2ccsc2)CCS1(=O)=O ZINC000160049293 364298292 /nfs/dbraw/zinc/29/82/92/364298292.db2.gz WLSRTODNLRSGRJ-UHFFFAOYSA-N 0 0 287.406 1.326 10 70 CDIERN CC(C)c1nn(C)c(Cl)c1C(=O)NCc1ccnn1C ZINC000160094380 364305300 /nfs/dbraw/zinc/30/53/00/364305300.db2.gz XJRQDTHQKRHJEQ-UHFFFAOYSA-N 0 0 295.774 1.860 10 70 CDIERN COc1ccccc1N1CC[C@@H](NC(=O)[C@@H](C)OC)C1 ZINC000161042688 364442103 /nfs/dbraw/zinc/44/21/03/364442103.db2.gz INVIGNWJHQIDKJ-VXGBXAGGSA-N 0 0 278.352 1.425 10 70 CDIERN C[C@H]1C[C@@H]1NC(=O)c1csc(S(C)(=O)=O)c1 ZINC000161280245 364473591 /nfs/dbraw/zinc/47/35/91/364473591.db2.gz UHBDARCLDSPQJD-XPUUQOCRSA-N 0 0 259.352 1.290 10 70 CDIERN CN(C[C@@H]1CCCOC1)C(=O)c1cnc2c(c1)ncn2C ZINC000160430352 369334353 /nfs/dbraw/zinc/33/43/53/369334353.db2.gz BMRIFJVIHHEPLI-NSHDSACASA-N 0 0 288.351 1.467 10 70 CDIERN CC1CCN(C(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)CC1 ZINC000160433336 369468559 /nfs/dbraw/zinc/46/85/59/369468559.db2.gz GUYJSFRLABVGFU-NWDGAFQWSA-N 0 0 267.373 1.424 10 70 CDIERN Cc1cccc2c1CCN2C(=O)N[C@H]1CCc2ncnn2C1 ZINC000161313060 369880003 /nfs/dbraw/zinc/88/00/03/369880003.db2.gz KPRDSHJYSZUQQM-LBPRGKRZSA-N 0 0 297.362 1.674 10 70 CDIERN Cc1ccc(CNC(=O)N(C[C@H](C)O)C(C)C)cn1 ZINC000160454154 377069159 /nfs/dbraw/zinc/06/91/59/377069159.db2.gz KHEIESWFCIRSDI-LBPRGKRZSA-N 0 0 265.357 1.691 10 70 CDIERN CCc1ccc(CC(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)cc1 ZINC000160944171 377138179 /nfs/dbraw/zinc/13/81/79/377138179.db2.gz ULJYKILLARSUFH-DOMZBBRYSA-N 0 0 288.391 1.904 10 70 CDIERN CC1CCN(C(=O)N(C)CC2(O)CCOCC2)CC1 ZINC000161483411 139913434 /nfs/dbraw/zinc/91/34/34/139913434.db2.gz VUMYFRWUGBHATB-UHFFFAOYSA-N 0 0 270.373 1.312 10 70 CDIERN O=C(N[C@@H]1CCOC1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000159387345 279874536 /nfs/dbraw/zinc/87/45/36/279874536.db2.gz WCWCZOPOKPWCSX-RKDXNWHRSA-N 0 0 266.263 1.759 10 70 CDIERN Cc1nc(C(=O)Nc2cccc3c[nH]nc32)c(=O)[nH]c1C ZINC000159675530 292765488 /nfs/dbraw/zinc/76/54/88/292765488.db2.gz GXXHHJVPWHDSBE-UHFFFAOYSA-N 0 0 283.291 1.515 10 70 CDIERN CCc1cc(C(=O)NC[C@@H](C)C(=O)OC)oc1CC ZINC000159787447 292769566 /nfs/dbraw/zinc/76/95/66/292769566.db2.gz QVHFMCPPHOBRHK-SECBINFHSA-N 0 0 267.325 1.943 10 70 CDIERN COCCC1(C(=O)N(C)CC(=O)NC(C)(C)C)CCCC1 ZINC000159808509 292769987 /nfs/dbraw/zinc/76/99/87/292769987.db2.gz IHHRCTRHKFHLLE-UHFFFAOYSA-N 0 0 298.427 1.956 10 70 CDIERN O=C(NC1(CO)CC1)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000160310299 292783159 /nfs/dbraw/zinc/78/31/59/292783159.db2.gz XMHJJBWPRNAROC-UHFFFAOYSA-N 0 0 275.283 1.471 10 70 CDIERN CCCN(C(=O)C(=O)Nc1c(C)onc1CC)C1CC1 ZINC000160492353 292788450 /nfs/dbraw/zinc/78/84/50/292788450.db2.gz WDZCWNFKGVBBHY-UHFFFAOYSA-N 0 0 279.340 1.885 10 70 CDIERN CC(C)(C)OC(=O)N1CCC[C@]1(C)C(=O)NCCCO ZINC000161172735 292801172 /nfs/dbraw/zinc/80/11/72/292801172.db2.gz PKFSDJMYQHEPLI-CQSZACIVSA-N 0 0 286.372 1.275 10 70 CDIERN CCONC(=O)NCC[C@@H]1c2ccccc2NC1=O ZINC000161341267 520231156 /nfs/dbraw/zinc/23/11/56/520231156.db2.gz PYXZZGHPEIOIDT-SNVBAGLBSA-N 0 0 263.297 1.363 10 70 CDIERN CCC[C@@H](NC(=O)[C@H]1CCNC(=O)C1)C(=O)OC(C)(C)C ZINC000161451023 520750411 /nfs/dbraw/zinc/75/04/11/520750411.db2.gz FWYBOGFJIIGPMG-WDEREUQCSA-N 0 0 298.383 1.139 10 70 CDIERN CCn1cnnc1[C@@H]1CCCN(CC(=O)OC(C)(C)C)C1 ZINC000161413030 523596424 /nfs/dbraw/zinc/59/64/24/523596424.db2.gz WXTKWAJQCBFNEF-GFCCVEGCSA-N 0 0 294.399 1.819 10 70 CDIERN C[C@H](N[C@H]1CCOC1=O)c1ccccc1-n1cccn1 ZINC000160819067 525620428 /nfs/dbraw/zinc/62/04/28/525620428.db2.gz ITOHDFOLOMOFNN-AAEUAGOBSA-N 0 0 271.320 1.838 10 70 CDIERN O=C(c1ccc(=O)[nH]n1)N1CC=C(c2ccccc2F)CC1 ZINC000159534045 526660395 /nfs/dbraw/zinc/66/03/95/526660395.db2.gz SHKCEZRPZROMTP-UHFFFAOYSA-N 0 0 299.305 1.839 10 70 CDIERN Cc1cc(C(=O)N[C@@H](C)c2cn(-c3ccccc3)nn2)[nH]n1 ZINC000160155207 362041369 /nfs/dbraw/zinc/04/13/69/362041369.db2.gz VKGGILUXIIHFJA-NSHDSACASA-N 0 0 296.334 1.790 10 70 CDIERN CCn1ccnc(N2CC[C@]3(O)CCCC[C@@H]3C2)c1=O ZINC000160668433 362465781 /nfs/dbraw/zinc/46/57/81/362465781.db2.gz SEABXDVSWJEXFA-IUODEOHRSA-N 0 0 277.368 1.395 10 70 CDIERN Cn1nccc1CNC(=O)c1c(F)cc(F)cc1F ZINC000160092394 345583219 /nfs/dbraw/zinc/58/32/19/345583219.db2.gz UUOIHAWJRRFKHZ-UHFFFAOYSA-N 0 0 269.226 1.767 10 70 CDIERN CC(C)OCCSC[C@@H](C)CS(C)(=O)=O ZINC000159771861 363294153 /nfs/dbraw/zinc/29/41/53/363294153.db2.gz KCPLDZRUPUZZRA-SNVBAGLBSA-N 0 0 254.417 1.825 10 70 CDIERN CC(=O)C[C@@H](C)NC(=O)C[C@H](NC(C)=O)c1ccccc1 ZINC000159963065 363521295 /nfs/dbraw/zinc/52/12/95/363521295.db2.gz GFJATQVNEIKJHR-ABAIWWIYSA-N 0 0 290.363 1.738 10 70 CDIERN CCc1nc(C(=O)N[C@@H](C)Cc2cc(C)n[nH]2)co1 ZINC000159457647 358577665 /nfs/dbraw/zinc/57/76/65/358577665.db2.gz FOJAZJZXYRWZAN-QMMMGPOBSA-N 0 0 262.313 1.630 10 70 CDIERN CCCOCC(=O)N1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000159628038 283403054 /nfs/dbraw/zinc/40/30/54/283403054.db2.gz GFBTTXQWZKEDAE-STQMWFEESA-N 0 0 297.351 1.357 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)N1CCC[C@H](C)C1 ZINC000160138181 363684627 /nfs/dbraw/zinc/68/46/27/363684627.db2.gz DROQQLWDZHVMTB-VIFPVBQESA-N 0 0 279.340 1.742 10 70 CDIERN O=C(COc1ccccc1C(F)(F)F)NC1(CO)CC1 ZINC000160211738 363768271 /nfs/dbraw/zinc/76/82/71/363768271.db2.gz PUBCAOOTZSWFJQ-UHFFFAOYSA-N 0 0 289.253 1.725 10 70 CDIERN COc1cccc([C@H](C)CC(=O)NC2(CO)CC2)c1 ZINC000160303250 363817763 /nfs/dbraw/zinc/81/77/63/363817763.db2.gz RVKXXJOZAJWDHG-LLVKDONJSA-N 0 0 263.337 1.830 10 70 CDIERN CCCn1cc(CN(CC)[C@H]2CCS(=O)(=O)C2)cn1 ZINC000160560245 364005246 /nfs/dbraw/zinc/00/52/46/364005246.db2.gz QMQFEYMFNMDLIU-ZDUSSCGKSA-N 0 0 285.413 1.302 10 70 CDIERN Cc1cccc2[nH]c(CNC(=O)c3ccn(C)c(=O)c3)nc21 ZINC000160507004 363962244 /nfs/dbraw/zinc/96/22/44/363962244.db2.gz GOKNOFADIHFNLD-UHFFFAOYSA-N 0 0 296.330 1.500 10 70 CDIERN Cc1ncc(Cl)c(C(=O)N[C@H](CO)CC(C)C)n1 ZINC000160635288 364107562 /nfs/dbraw/zinc/10/75/62/364107562.db2.gz SQDOLQDRLFSCLU-VIFPVBQESA-N 0 0 271.748 1.575 10 70 CDIERN COc1ccccc1[C@H](O)CNS(=O)(=O)CCCF ZINC000159363524 364192204 /nfs/dbraw/zinc/19/22/04/364192204.db2.gz XIBMKFNEVMZQRB-LLVKDONJSA-N 0 0 291.344 1.008 10 70 CDIERN CC(C)OCCS(=O)(=O)NCCc1ccccc1O ZINC000159659316 364248231 /nfs/dbraw/zinc/24/82/31/364248231.db2.gz HZQWMOSBTZTSPK-UHFFFAOYSA-N 0 0 287.381 1.279 10 70 CDIERN Cc1cc(OCC(=O)NCCC(C)(C)C)nn1C ZINC000159785478 364265320 /nfs/dbraw/zinc/26/53/20/364265320.db2.gz DJDAMWHGUNFJOF-UHFFFAOYSA-N 0 0 253.346 1.660 10 70 CDIERN CN(C(=O)CS(=O)(=O)C1CCOCC1)c1ccccc1 ZINC000160078173 364303454 /nfs/dbraw/zinc/30/34/54/364303454.db2.gz GQLJTAKWDSYZOY-UHFFFAOYSA-N 0 0 297.376 1.243 10 70 CDIERN CS[C@H](C)CNC(=O)N[C@@H](C)Cc1cc(C)n[nH]1 ZINC000160756032 364405835 /nfs/dbraw/zinc/40/58/35/364405835.db2.gz VLAIVZCARNDBAW-WCBMZHEXSA-N 0 0 270.402 1.700 10 70 CDIERN C[C@@H](CO)N(C)C(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 ZINC000160539070 364369293 /nfs/dbraw/zinc/36/92/93/364369293.db2.gz BONVZUIPIBQGJK-DTWKUNHWSA-N 0 0 294.376 1.572 10 70 CDIERN C[C@@H]1CN(C[C@@H](O)c2ccc3c(c2)OCCO3)C[C@@H](C)O1 ZINC000217600422 189711125 /nfs/dbraw/zinc/71/11/25/189711125.db2.gz OCZGBUAQOXVNJM-YRGRVCCFSA-N 0 0 293.363 1.600 10 70 CDIERN CCOC[C@@H](O)CN[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000161283968 377552006 /nfs/dbraw/zinc/55/20/06/377552006.db2.gz UNFLGZFILOHBMT-JSGCOSHPSA-N 0 0 290.367 1.315 10 70 CDIERN Cc1cc(C[C@H](C)NC(=O)c2c(C)nn(C)c2C)[nH]n1 ZINC000161193599 391646447 /nfs/dbraw/zinc/64/64/47/391646447.db2.gz HYGKYNGRLMQBFU-QMMMGPOBSA-N 0 0 275.356 1.429 10 70 CDIERN COC(=O)[C@@H]1CCCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)C1 ZINC000218049985 140164567 /nfs/dbraw/zinc/16/45/67/140164567.db2.gz LVKLBKHNYNLJCK-HZSPNIEDSA-N 0 0 296.411 1.376 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)N1CCSCC1 ZINC000160180421 292779201 /nfs/dbraw/zinc/77/92/01/292779201.db2.gz HIRYQQJQWOUFBW-UHFFFAOYSA-N 0 0 283.353 1.059 10 70 CDIERN O=C(NC1(CO)CC1)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000160268812 292781929 /nfs/dbraw/zinc/78/19/29/292781929.db2.gz DQIPOCGXBZLOSA-ONGXEEELSA-N 0 0 267.275 1.709 10 70 CDIERN CC(C)(NC(=O)C[C@@H]1CCCCC1(C)C)C(N)=O ZINC000160446466 292787069 /nfs/dbraw/zinc/78/70/69/292787069.db2.gz UIPLMDPHZPPOKV-JTQLQIEISA-N 0 0 254.374 1.973 10 70 CDIERN C[C@H](Cn1cncn1)NC(=O)c1cc(F)cc2cccnc21 ZINC000160835934 292794744 /nfs/dbraw/zinc/79/47/44/292794744.db2.gz FKXBHBHROZNYLU-SNVBAGLBSA-N 0 0 299.309 1.784 10 70 CDIERN CC[C@@H]1CCCCCN1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000160809172 292794770 /nfs/dbraw/zinc/79/47/70/292794770.db2.gz AMZYEQYSIADYNZ-VXGBXAGGSA-N 0 0 288.413 1.538 10 70 CDIERN CN(C)C(=O)NCCNC(=O)c1ccc2c(c1)CCCN2 ZINC000160858544 482833485 /nfs/dbraw/zinc/83/34/85/482833485.db2.gz MGYKQATYLRMPSL-UHFFFAOYSA-N 0 0 290.367 1.046 10 70 CDIERN CC(C)[C@H](O)CCNC(=O)c1ccnn1C(C)C ZINC000159467319 519822988 /nfs/dbraw/zinc/82/29/88/519822988.db2.gz KHJZKIXRCXESFO-GFCCVEGCSA-N 0 0 253.346 1.601 10 70 CDIERN CCCCN(CCCC)S(=O)(=O)N(C)[C@H](C)CO ZINC000161316373 520499204 /nfs/dbraw/zinc/49/92/04/520499204.db2.gz BHKROFGMYIKJPY-GFCCVEGCSA-N 0 0 280.434 1.446 10 70 CDIERN CS[C@@H](C)CNC(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000160605616 525803895 /nfs/dbraw/zinc/80/38/95/525803895.db2.gz ZVZXRBQQJGCJFZ-UWVGGRQHSA-N 0 0 297.428 1.726 10 70 CDIERN CC(C)CC[C@H]1CCC(=O)N(CC(C)(C)O)C1=O ZINC000160121355 527852171 /nfs/dbraw/zinc/85/21/71/527852171.db2.gz RYTZBNQBUKPNCU-NSHDSACASA-N 0 0 255.358 1.959 10 70 CDIERN O=C(NCCc1ccsc1)[C@H]1CCn2ccnc2C1 ZINC000159636779 361755077 /nfs/dbraw/zinc/75/50/77/361755077.db2.gz WYENSVWUSOBXHS-LBPRGKRZSA-N 0 0 275.377 1.866 10 70 CDIERN CC(C)(C)OC(=O)N1CCC[C@]2(CCNC(=O)O2)C1 ZINC000218435655 539077289 /nfs/dbraw/zinc/07/72/89/539077289.db2.gz XDIOHLMWCUTOAL-ZDUSSCGKSA-N 0 0 270.329 1.886 10 70 CDIERN CNC(=O)[C@H]1CCCN1C(=O)NCC1(C)CCC1 ZINC000159581424 539114413 /nfs/dbraw/zinc/11/44/13/539114413.db2.gz URAOAWFQERPIBG-SNVBAGLBSA-N 0 0 253.346 1.097 10 70 CDIERN Cc1noc2nc(C3CC3)cc(C(=O)NC3(CO)CC3)c12 ZINC000160254086 539115709 /nfs/dbraw/zinc/11/57/09/539115709.db2.gz CJHUEDIULGTGJR-UHFFFAOYSA-N 0 0 287.319 1.663 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)N1CCC[C@H]1COC ZINC000160919838 539116971 /nfs/dbraw/zinc/11/69/71/539116971.db2.gz URNGQJHCEQQDPO-JTQLQIEISA-N 0 0 295.339 1.121 10 70 CDIERN O=C(Nc1ccccc1-n1cccn1)NC1(CO)CC1 ZINC000160782887 362170743 /nfs/dbraw/zinc/17/07/43/362170743.db2.gz UCQMAUWRLHRTGS-UHFFFAOYSA-N 0 0 272.308 1.519 10 70 CDIERN CNc1ccc(C(=O)N2C[C@H](C)N(C)[C@@H](C)C2)cn1 ZINC000160167862 362401641 /nfs/dbraw/zinc/40/16/41/362401641.db2.gz HGQLUOIPONWUKN-QWRGUYRKSA-N 0 0 262.357 1.288 10 70 CDIERN COC(=O)COc1cccc(NC(=O)[C@@H]2OCC[C@@H]2C)c1 ZINC000160268772 362406268 /nfs/dbraw/zinc/40/62/68/362406268.db2.gz ZXAIJZJBYADKLQ-IINYFYTJSA-N 0 0 293.319 1.602 10 70 CDIERN C[C@@H](NC(=O)c1cc(F)c(F)c(F)c1F)[C@H](C)CO ZINC000160338274 362414853 /nfs/dbraw/zinc/41/48/53/362414853.db2.gz PFZKZVXPEIOHCG-PHDIDXHHSA-N 0 0 279.233 1.990 10 70 CDIERN COCCC1(C(=O)N[C@H]2CCN(CC(F)(F)F)C2)CC1 ZINC000161113020 362677832 /nfs/dbraw/zinc/67/78/32/362677832.db2.gz JQRCMNYJWXJLLE-JTQLQIEISA-N 0 0 294.317 1.556 10 70 CDIERN Cc1ccc([C@H](C)CNS(=O)(=O)N(C)C)cc1 ZINC000159690165 188437109 /nfs/dbraw/zinc/43/71/09/188437109.db2.gz DUQQWCSMTCGUGV-LLVKDONJSA-N 0 0 256.371 1.495 10 70 CDIERN CCN(C)C(=O)CCc1cc2ccccc2[nH]c1=O ZINC000159806746 363329617 /nfs/dbraw/zinc/32/96/17/363329617.db2.gz ZHTXDSWJLRRUJV-UHFFFAOYSA-N 0 0 258.321 1.939 10 70 CDIERN COc1ccc(-c2noc(C[C@@H](O)C(C)C)n2)cn1 ZINC000161011023 358739711 /nfs/dbraw/zinc/73/97/11/358739711.db2.gz DHODGJZJLUPINA-SNVBAGLBSA-N 0 0 263.297 1.700 10 70 CDIERN COCCC1(CNC(=O)N2CCC[C@@H](C(=O)OC)C2)CC1 ZINC000161034660 237189379 /nfs/dbraw/zinc/18/93/79/237189379.db2.gz VBPVUNZOCLRVPM-GFCCVEGCSA-N 0 0 298.383 1.398 10 70 CDIERN c1csc([C@H]2CN(CCOCC3CC3)CCO2)n1 ZINC000160110555 237163850 /nfs/dbraw/zinc/16/38/50/237163850.db2.gz OIFJGPFQTVSLBY-GFCCVEGCSA-N 0 0 268.382 1.943 10 70 CDIERN CCNC(=O)N1CCN(C(=O)c2oc(CC)cc2C)CC1 ZINC000160191281 363741244 /nfs/dbraw/zinc/74/12/44/363741244.db2.gz HIQUJCWDYSNFFN-UHFFFAOYSA-N 0 0 293.367 1.638 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)NCCCC1CC1 ZINC000160682972 360772623 /nfs/dbraw/zinc/77/26/23/360772623.db2.gz ZLKYAOXPPBDUQA-UHFFFAOYSA-N 0 0 279.340 1.790 10 70 CDIERN CCn1cc(CC(=O)NC2(CO)CC2)c2ccccc21 ZINC000160338775 363823827 /nfs/dbraw/zinc/82/38/27/363823827.db2.gz GXTXQEDLHAICPU-UHFFFAOYSA-N 0 0 272.348 1.845 10 70 CDIERN CC1(C)C[C@H]1C(=O)Nc1nc(CC(N)=O)cs1 ZINC000160170805 364314929 /nfs/dbraw/zinc/31/49/29/364314929.db2.gz YZIPFNPBABKKSO-ZETCQYMHSA-N 0 0 253.327 1.156 10 70 CDIERN Cc1nc(CC(=O)N(C)C[C@@H]2CCCO2)c(C)s1 ZINC000160879339 364422620 /nfs/dbraw/zinc/42/26/20/364422620.db2.gz HKDPJJJDVXKXIC-NSHDSACASA-N 0 0 268.382 1.940 10 70 CDIERN CCC[C@H](NC(=O)c1ccn[nH]1)C(=O)OC(C)(C)C ZINC000161494073 364502275 /nfs/dbraw/zinc/50/22/75/364502275.db2.gz SHMIZIRRWPNLPQ-JTQLQIEISA-N 0 0 267.329 1.650 10 70 CDIERN C[C@H](O)C[C@H]1CCCN1C(=O)c1cnc2c(c1)ncn2C ZINC000160970500 377138505 /nfs/dbraw/zinc/13/85/05/377138505.db2.gz ZOMCWWLGBJGGDK-CMPLNLGQSA-N 0 0 288.351 1.344 10 70 CDIERN Cc1ccn(-c2ccccc2NC(=O)[C@@H]2CCC(=O)NC2)n1 ZINC000161344085 377573372 /nfs/dbraw/zinc/57/33/72/377573372.db2.gz IIJFLDAZZGKMGP-GFCCVEGCSA-N 0 0 298.346 1.645 10 70 CDIERN C[C@@H](Oc1cccc(CO)c1)C(=O)Nc1cn[nH]c1 ZINC000159831275 292770665 /nfs/dbraw/zinc/77/06/65/292770665.db2.gz RPCKPMPEONXQGG-SECBINFHSA-N 0 0 261.281 1.308 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)NCc1cccs1 ZINC000159967997 292774968 /nfs/dbraw/zinc/77/49/68/292774968.db2.gz LLYIAOVPDQJKRV-UHFFFAOYSA-N 0 0 293.348 1.862 10 70 CDIERN CC(C)[C@H](O)CNC(=O)[C@@H](C)Oc1cccc(CO)c1 ZINC000160001715 292775750 /nfs/dbraw/zinc/77/57/50/292775750.db2.gz LDHYKJSLPXCQJE-BXUZGUMPSA-N 0 0 281.352 1.079 10 70 CDIERN COc1ccc(O)c(C(=O)NCC2(CCO)CCC2)c1 ZINC000160174005 292779302 /nfs/dbraw/zinc/77/93/02/292779302.db2.gz KCVITZOMVFKJAL-UHFFFAOYSA-N 0 0 279.336 1.683 10 70 CDIERN Cc1ccc(-c2nc(CC(=O)NC3(CO)CC3)cs2)o1 ZINC000160240648 292781310 /nfs/dbraw/zinc/78/13/10/292781310.db2.gz OGASJHZQKHCBIF-UHFFFAOYSA-N 0 0 292.360 1.895 10 70 CDIERN COC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000161034509 292798582 /nfs/dbraw/zinc/79/85/82/292798582.db2.gz HMUPXVIXGOZEMX-JQWIXIFHSA-N 0 0 251.257 1.518 10 70 CDIERN O=C(Nc1cnc(-c2ccccc2)nc1)NC1(CO)CC1 ZINC000161055739 292799210 /nfs/dbraw/zinc/79/92/10/292799210.db2.gz GCWUNWOKURBCGF-UHFFFAOYSA-N 0 0 284.319 1.790 10 70 CDIERN C[C@H](C[S@](=O)c1ncccc1Cl)CS(C)(=O)=O ZINC000161060292 292799214 /nfs/dbraw/zinc/79/92/14/292799214.db2.gz XLYVTRYZUAGMEB-VPTHRUTESA-N 0 0 295.813 1.523 10 70 CDIERN CCOC(=O)C[C@H](C)NC(=O)c1cccc(NC(C)=O)c1 ZINC000160740268 520879947 /nfs/dbraw/zinc/87/99/47/520879947.db2.gz XOJHBHSCTFYBKR-JTQLQIEISA-N 0 0 292.335 1.717 10 70 CDIERN CCCC[C@H](NC(=O)[C@@H]1CNC(=O)C1)C(=O)OC(C)(C)C ZINC000161226368 521226393 /nfs/dbraw/zinc/22/63/93/521226393.db2.gz REFVTWIKIAWIGM-QWRGUYRKSA-N 0 0 298.383 1.139 10 70 CDIERN C[C@H](CO)N(C)C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000160456845 524538381 /nfs/dbraw/zinc/53/83/81/524538381.db2.gz YZGHZEYTMYTLEV-HLUHBDAQSA-N 0 0 269.291 1.908 10 70 CDIERN COc1ccccc1OCCn1cnn(C(C)(C)C)c1=O ZINC000159596538 361746077 /nfs/dbraw/zinc/74/60/77/361746077.db2.gz OUWJCRRQAACPPG-UHFFFAOYSA-N 0 0 291.351 1.887 10 70 CDIERN Cc1noc(CCNC(=O)Nc2ccc(C)nc2)n1 ZINC000161481028 539117862 /nfs/dbraw/zinc/11/78/62/539117862.db2.gz RIEUQYFNYZHOCR-UHFFFAOYSA-N 0 0 261.285 1.446 10 70 CDIERN O=C(NCCc1ccccc1O)[C@@H]1CCn2ccnc2C1 ZINC000160113346 362028209 /nfs/dbraw/zinc/02/82/09/362028209.db2.gz AULZERDCUHNASU-CYBMUJFWSA-N 0 0 285.347 1.510 10 70 CDIERN CS(=O)(=O)CCCCSCCOC[C@H]1CCCO1 ZINC000160958783 346950718 /nfs/dbraw/zinc/95/07/18/346950718.db2.gz NDEBDAJSGVJYSY-GFCCVEGCSA-N 0 0 296.454 1.740 10 70 CDIERN Cc1ccc(C(C)(C)CN(C)C(=O)[C@@H]2COCCN2)cc1 ZINC000161255098 362258782 /nfs/dbraw/zinc/25/87/82/362258782.db2.gz MIHJQDLRJFFDKX-HNNXBMFYSA-N 0 0 290.407 1.719 10 70 CDIERN C[C@@H](C[S@@](=O)c1ccc(F)c(F)c1)CS(C)(=O)=O ZINC000161054980 362529233 /nfs/dbraw/zinc/52/92/33/362529233.db2.gz SALCIJWUHFXTDS-QPFGOUBPSA-N 0 0 296.360 1.753 10 70 CDIERN Cc1cc(NC(=O)[C@@H]2CCCc3n[nH]cc32)c[nH]c1=O ZINC000159680046 363182404 /nfs/dbraw/zinc/18/24/04/363182404.db2.gz UDXQVGMWBSDCGL-SNVBAGLBSA-N 0 0 272.308 1.465 10 70 CDIERN CC(C)[N@H+](CCc1nccs1)CC(=O)N1CCOCC1 ZINC000159954203 363500162 /nfs/dbraw/zinc/50/01/62/363500162.db2.gz LEBNJNYHDRPVDR-UHFFFAOYSA-N 0 0 297.424 1.255 10 70 CDIERN COCCOCCNC(=O)C1CCC(F)(F)CC1 ZINC000160041295 363601655 /nfs/dbraw/zinc/60/16/55/363601655.db2.gz MHTWGXKHXGDLQU-UHFFFAOYSA-N 0 0 265.300 1.591 10 70 CDIERN CC[C@H](C(N)=O)N1CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC000159488452 358642455 /nfs/dbraw/zinc/64/24/55/358642455.db2.gz SWYJASVVZZBJBH-SWLSCSKDSA-N 0 0 293.386 1.768 10 70 CDIERN C[C@@H]1CCC[C@@H](C)N(C(=O)CNC(=O)c2cccnc2)C1 ZINC000159497193 358746814 /nfs/dbraw/zinc/74/68/14/358746814.db2.gz OXROBMDJXZDHPL-CHWSQXEVSA-N 0 0 289.379 1.849 10 70 CDIERN Cc1[nH]nc2ncc(NC(=O)[C@@H]3CC[C@H](C)O3)cc12 ZINC000159659739 237153546 /nfs/dbraw/zinc/15/35/46/237153546.db2.gz LYERAWGFAVECLS-CPCISQLKSA-N 0 0 260.297 1.772 10 70 CDIERN Cc1ccccc1OCCCC(=O)NC1(CO)CC1 ZINC000159832603 237161516 /nfs/dbraw/zinc/16/15/16/237161516.db2.gz CNSGXQLDIALCDS-UHFFFAOYSA-N 0 0 263.337 1.795 10 70 CDIERN C[C@@H]1CN(Cc2nsc(N(C)C)n2)CCS1 ZINC000159841323 237161816 /nfs/dbraw/zinc/16/18/16/237161816.db2.gz CFJGJCWSOCDFTD-MRVPVSSYSA-N 0 0 258.416 1.541 10 70 CDIERN O=C(NC1(CO)CC1)c1csc(Cc2ccccc2)n1 ZINC000160240789 363789813 /nfs/dbraw/zinc/78/98/13/363789813.db2.gz WRUAESGNXFSOLF-UHFFFAOYSA-N 0 0 288.372 1.989 10 70 CDIERN O=C(NC1(CO)CC1)C(=O)c1ccc(Cl)cc1 ZINC000160432470 363862163 /nfs/dbraw/zinc/86/21/63/363862163.db2.gz MTFNGXLMSRUDOD-UHFFFAOYSA-N 0 0 253.685 1.164 10 70 CDIERN CC1=C(C(=O)N2CCC(C(=O)N(C)C)CC2)CCCO1 ZINC000159461479 364210467 /nfs/dbraw/zinc/21/04/67/364210467.db2.gz KMEMQZOCGVHOIV-UHFFFAOYSA-N 0 0 280.368 1.398 10 70 CDIERN CC(C)[C@H](O)CC(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000159651640 364247785 /nfs/dbraw/zinc/24/77/85/364247785.db2.gz RMOAWDYJSOXBTD-LLVKDONJSA-N 0 0 284.743 1.784 10 70 CDIERN CCC[C@](C)(O)C(=O)N[C@@H](C)Cc1cc(C)n[nH]1 ZINC000159696743 364253163 /nfs/dbraw/zinc/25/31/63/364253163.db2.gz HIYJESNLLARIGQ-ZANVPECISA-N 0 0 253.346 1.316 10 70 CDIERN Cn1nccc1CNC(=O)N1CCOC2(CCCC2)C1 ZINC000159756872 364260386 /nfs/dbraw/zinc/26/03/86/364260386.db2.gz GWUQHWJDERGRQW-UHFFFAOYSA-N 0 0 278.356 1.275 10 70 CDIERN COC(=O)[C@H]1C[C@H]1C(=O)Nc1n[nH]c(-c2ccc(C)o2)n1 ZINC000160297934 364330583 /nfs/dbraw/zinc/33/05/83/364330583.db2.gz DMLRMCODLMJZLG-SFYZADRCSA-N 0 0 290.279 1.121 10 70 CDIERN Cc1cc(C[C@H](C)NC(=O)[C@@H](C)Oc2cccnc2)[nH]n1 ZINC000161173930 364459198 /nfs/dbraw/zinc/45/91/98/364459198.db2.gz MLFIMDNSZWSHBJ-CMPLNLGQSA-N 0 0 288.351 1.628 10 70 CDIERN CCN(C(=O)N[C@H]1CCc2ncnn2C1)C(C)C ZINC000161205046 364464327 /nfs/dbraw/zinc/46/43/27/364464327.db2.gz BEJAARLAWVNXQQ-JTQLQIEISA-N 0 0 251.334 1.033 10 70 CDIERN O=C(Cn1cccn1)N1CCO[C@H](c2cccs2)C1 ZINC000161268471 364472276 /nfs/dbraw/zinc/47/22/76/364472276.db2.gz DENXGEJHVRIKDJ-NSHDSACASA-N 0 0 277.349 1.545 10 70 CDIERN O=C(NC1(CO)CC1)c1cc(C2CCCCC2)n[nH]1 ZINC000160474185 369833587 /nfs/dbraw/zinc/83/35/87/369833587.db2.gz DPKIBPKLNXLXIX-UHFFFAOYSA-N 0 0 263.341 1.712 10 70 CDIERN COC(=O)c1cn(Cc2ccn(C3CCCC3)n2)nn1 ZINC000217503505 375661300 /nfs/dbraw/zinc/66/13/00/375661300.db2.gz UKCXGCNIXMRMNE-UHFFFAOYSA-N 0 0 275.312 1.425 10 70 CDIERN Cc1cnn(CCC(=O)N[C@H](C)Cc2cc(C)n[nH]2)c1 ZINC000161316692 377558453 /nfs/dbraw/zinc/55/84/53/377558453.db2.gz PYGKCBQVCUPHKL-LLVKDONJSA-N 0 0 275.356 1.361 10 70 CDIERN COC(=O)CCCCNC(=O)NCCc1ccncc1C ZINC000160123818 390977857 /nfs/dbraw/zinc/97/78/57/390977857.db2.gz WXHYPISEGIPMCT-UHFFFAOYSA-N 0 0 293.367 1.575 10 70 CDIERN CO[C@@H](C)c1nc(C)c(C(=O)N(C)[C@@H](C)CO)s1 ZINC000160390883 391509205 /nfs/dbraw/zinc/50/92/05/391509205.db2.gz HLYIAWRSVZZZEW-CBAPKCEASA-N 0 0 272.370 1.612 10 70 CDIERN C[C@@H](NC(=O)CCCc1nc(C2CC2)no1)[C@@H]1CCCO1 ZINC000159768901 139905408 /nfs/dbraw/zinc/90/54/08/139905408.db2.gz VTQKBQIILFEEOK-PWSUYJOCSA-N 0 0 293.367 1.953 10 70 CDIERN CC(C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1C ZINC000159985446 292774994 /nfs/dbraw/zinc/77/49/94/292774994.db2.gz RVDZMPIPFKFADL-AVGNSLFASA-N 0 0 284.400 1.299 10 70 CDIERN CC(C)N(C[C@@H](C)O)C(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000160475994 292787810 /nfs/dbraw/zinc/78/78/10/292787810.db2.gz PXMFKCIXVKTSKF-OCCSQVGLSA-N 0 0 292.379 1.791 10 70 CDIERN C[C@H](Oc1cccc(CO)c1)C(=O)NCCc1ccco1 ZINC000160553076 292790121 /nfs/dbraw/zinc/79/01/21/292790121.db2.gz QNVKFULTYZENED-LBPRGKRZSA-N 0 0 289.331 1.898 10 70 CDIERN Cc1nc(C(=O)N2CC[C@@H]3OCCC[C@H]3C2)c(=O)[nH]c1C ZINC000159705438 302552969 /nfs/dbraw/zinc/55/29/69/302552969.db2.gz FOZUDMVMPAWKCW-RYUDHWBXSA-N 0 0 291.351 1.028 10 70 CDIERN CC1(C)C[C@H]1C(=O)NC[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000160976033 520563717 /nfs/dbraw/zinc/56/37/17/520563717.db2.gz 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/nfs/dbraw/zinc/38/30/17/362383017.db2.gz CIUYFHIHEWZLEH-IOASZLSFSA-N 0 0 280.412 1.922 10 70 CDIERN C[C@H](C(=O)N[C@@H](C)[C@H](C)CO)n1cnc2ccccc21 ZINC000160285171 362407581 /nfs/dbraw/zinc/40/75/81/362407581.db2.gz YRLATUPXAZCRJO-GRYCIOLGSA-N 0 0 275.352 1.730 10 70 CDIERN COC(=O)CCCNC(=O)[C@H](C)COc1ccccc1 ZINC000159619885 363066627 /nfs/dbraw/zinc/06/66/27/363066627.db2.gz RHDZRPRKONISIY-GFCCVEGCSA-N 0 0 279.336 1.771 10 70 CDIERN COC[C@H](O)CNC(=O)C(C)(C)c1ccccc1F ZINC000159470449 188427488 /nfs/dbraw/zinc/42/74/88/188427488.db2.gz BKHLKOCYMZJBKT-SNVBAGLBSA-N 0 0 269.316 1.227 10 70 CDIERN CC[N@@H+]1CCC[C@@H](NC(=O)NCC2(C3CC3)CC2)C1 ZINC000159739082 363248642 /nfs/dbraw/zinc/24/86/42/363248642.db2.gz ZBKDBDKKSALYQD-CYBMUJFWSA-N 0 0 265.401 1.960 10 70 CDIERN CNc1ccc(C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)cn1 ZINC000160904475 188496922 /nfs/dbraw/zinc/49/69/22/188496922.db2.gz BDKMPFRLRYFJEU-CZUORRHYSA-N 0 0 289.379 1.891 10 70 CDIERN COCCc1cc(NC(=O)N[C@@H](COC)C2CC2)n(C)n1 ZINC000161145948 237192183 /nfs/dbraw/zinc/19/21/83/237192183.db2.gz NGJQQPFLBJGTCP-LBPRGKRZSA-N 0 0 296.371 1.156 10 70 CDIERN O=C(NC1(CO)CC1)c1ccn(-c2ccc(F)cc2)n1 ZINC000160297543 363804404 /nfs/dbraw/zinc/80/44/04/363804404.db2.gz OZLGGOMIQHMEOB-UHFFFAOYSA-N 0 0 275.283 1.266 10 70 CDIERN COc1nc(C)nc(N2CCN(CC(F)F)CC2)c1C ZINC000159363765 364191199 /nfs/dbraw/zinc/19/11/99/364191199.db2.gz JCHXLERBBPFNTP-UHFFFAOYSA-N 0 0 286.326 1.489 10 70 CDIERN O[C@H](C[C@@H]1COCCN1Cc1ccon1)c1ccco1 ZINC000159365098 364191572 /nfs/dbraw/zinc/19/15/72/364191572.db2.gz SIRCZTRAHFAKQN-CHWSQXEVSA-N 0 0 278.308 1.592 10 70 CDIERN CNC(=O)COc1cccc(CC(=O)N[C@H](C)C(C)C)c1 ZINC000159719722 364256379 /nfs/dbraw/zinc/25/63/79/364256379.db2.gz AUNAJAZULANBFH-GFCCVEGCSA-N 0 0 292.379 1.515 10 70 CDIERN CC(C)c1nc2c(n1C)CCN(C(=O)C[C@@H](O)C(C)C)C2 ZINC000159867585 364276144 /nfs/dbraw/zinc/27/61/44/364276144.db2.gz HCUTYQOZRSBNEG-CQSZACIVSA-N 0 0 293.411 1.835 10 70 CDIERN CCOC(=O)[C@@H]1CC[C@H](NC(=O)c2ccccc2O)C1 ZINC000159530041 364228339 /nfs/dbraw/zinc/22/83/39/364228339.db2.gz WCHVWJLACJKJKM-MNOVXSKESA-N 0 0 277.320 1.854 10 70 CDIERN CN(CCc1ccc(F)cc1)C(=O)c1cccc(=O)n1C ZINC000160922917 364427332 /nfs/dbraw/zinc/42/73/32/364427332.db2.gz SNHOPVIOOPYTTH-UHFFFAOYSA-N 0 0 288.322 1.839 10 70 CDIERN Cc1ccccc1NC(=O)N[C@H]1CCc2ncnn2C1 ZINC000160932274 364430966 /nfs/dbraw/zinc/43/09/66/364430966.db2.gz KDGOIAKCPHFHIM-NSHDSACASA-N 0 0 271.324 1.723 10 70 CDIERN Cc1cc(C[C@@H](C)NC(=O)[C@@H](C)c2cccnc2)[nH]n1 ZINC000161278807 364473718 /nfs/dbraw/zinc/47/37/18/364473718.db2.gz PDHFIOOWILCDJP-PWSUYJOCSA-N 0 0 272.352 1.964 10 70 CDIERN CC(C)OC(=O)CCCNC(=O)NC[C@@H](O)C(C)C ZINC000160155857 147708665 /nfs/dbraw/zinc/70/86/65/147708665.db2.gz ZMDAJYCKISAWHK-LLVKDONJSA-N 0 0 274.361 1.034 10 70 CDIERN Cc1ccc(C[C@H](C)N(C)S(=O)(=O)c2c[nH]cn2)cc1 ZINC000159797227 292769141 /nfs/dbraw/zinc/76/91/41/292769141.db2.gz TYXXBACOIAYICV-LBPRGKRZSA-N 0 0 293.392 1.970 10 70 CDIERN O=C(NC1(CO)CC1)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000160269161 292781934 /nfs/dbraw/zinc/78/19/34/292781934.db2.gz DQIPOCGXBZLOSA-MWLCHTKSSA-N 0 0 267.275 1.709 10 70 CDIERN C[C@H](C[S@](=O)c1ccc(F)c(F)c1)CS(C)(=O)=O ZINC000161055330 292799205 /nfs/dbraw/zinc/79/92/05/292799205.db2.gz SALCIJWUHFXTDS-CQLKUDPESA-N 0 0 296.360 1.753 10 70 CDIERN CCOc1cc(C(=O)NCC[C@H](O)COC)ccc1C ZINC000161350650 292804711 /nfs/dbraw/zinc/80/47/11/292804711.db2.gz QDIKESXFSQQPDV-ZDUSSCGKSA-N 0 0 281.352 1.521 10 70 CDIERN CCCN1C(=O)N=NC1S(=O)(=O)Cc1ccc(F)cc1 ZINC000160921570 521633023 /nfs/dbraw/zinc/63/30/23/521633023.db2.gz KVGVBHKAQSGIDP-UHFFFAOYSA-N 0 0 299.327 1.507 10 70 CDIERN Cc1ccc(F)cc1NC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000161238571 524862983 /nfs/dbraw/zinc/86/29/83/524862983.db2.gz ZCMKIEVPURXDFY-LLVKDONJSA-N 0 0 289.314 1.862 10 70 CDIERN C[C@@H](NC(N)=O)C(=O)N1CC=C(c2ccccc2F)CC1 ZINC000159637279 525388529 /nfs/dbraw/zinc/38/85/29/525388529.db2.gz HXIIDWPASIOXJI-SNVBAGLBSA-N 0 0 291.326 1.498 10 70 CDIERN Cc1noc([C@H]2COCCN2Cc2cscn2)n1 ZINC000161091034 526674169 /nfs/dbraw/zinc/67/41/69/526674169.db2.gz WUZRMOWDJADSJH-SNVBAGLBSA-N 0 0 266.326 1.408 10 70 CDIERN CC(C)CC[C@@H]1CCC(=O)N(CC(C)(C)O)C1=O ZINC000160121229 527814381 /nfs/dbraw/zinc/81/43/81/527814381.db2.gz RYTZBNQBUKPNCU-LLVKDONJSA-N 0 0 255.358 1.959 10 70 CDIERN CCCc1nnc(N2CCS(=O)(=O)[C@@H](C)C2)s1 ZINC000160759169 535548784 /nfs/dbraw/zinc/54/87/84/535548784.db2.gz MVKDAFHJIAUTJT-QMMMGPOBSA-N 0 0 275.399 1.114 10 70 CDIERN O=C(Nc1ccccc1N1CCCC1=O)NC1(CO)CC1 ZINC000160432756 342482930 /nfs/dbraw/zinc/48/29/30/342482930.db2.gz RCLOKLLAIKMULQ-UHFFFAOYSA-N 0 0 289.335 1.460 10 70 CDIERN O=c1[nH]c2ccccc2cc1CS(=O)(=O)Cl ZINC000088251232 539087198 /nfs/dbraw/zinc/08/71/98/539087198.db2.gz YTQHDEHJCOVGBR-UHFFFAOYSA-N 0 0 257.698 1.597 10 70 CDIERN CN(CCN1CCOC1=O)c1nc(C(C)(C)C)ns1 ZINC000159997953 361997266 /nfs/dbraw/zinc/99/72/66/361997266.db2.gz CUORAGIKHDIEMJ-UHFFFAOYSA-N 0 0 284.385 1.724 10 70 CDIERN O=C(c1n[nH]c2c1CCCC2)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160020679 362003113 /nfs/dbraw/zinc/00/31/13/362003113.db2.gz CETHEPCHXSDBLU-PHIMTYICSA-N 0 0 274.368 1.255 10 70 CDIERN C[C@H](NC(=O)CC1CCCCC1)C(=O)NC1(CO)CC1 ZINC000160262744 539115649 /nfs/dbraw/zinc/11/56/49/539115649.db2.gz UCNIXZZDAYKHBQ-NSHDSACASA-N 0 0 282.384 1.103 10 70 CDIERN C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)C(C)(C)C)[C@H](C)CO ZINC000160376010 539115846 /nfs/dbraw/zinc/11/58/46/539115846.db2.gz YYJJEYOLONPXCC-UTUOFQBUSA-N 0 0 284.400 1.157 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)N1CCC[C@@H]1COC ZINC000160919710 539116968 /nfs/dbraw/zinc/11/69/68/539116968.db2.gz URNGQJHCEQQDPO-SNVBAGLBSA-N 0 0 295.339 1.121 10 70 CDIERN CCc1c(C(=O)Nc2cc(C)on2)[nH]c(C)c1C(N)=O ZINC000159917920 529489846 /nfs/dbraw/zinc/48/98/46/529489846.db2.gz LANOICVPBDVKAB-UHFFFAOYSA-N 0 0 276.296 1.533 10 70 CDIERN O=C(c1cc2ccccc2oc1=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160149052 362039504 /nfs/dbraw/zinc/03/95/04/362039504.db2.gz ZBHHZHBPKJLHOS-BETUJISGSA-N 0 0 298.342 1.760 10 70 CDIERN Nc1ccc2c(c1)CCC[C@@H]2NS(=O)(=O)CC1CC1 ZINC000159446999 362322422 /nfs/dbraw/zinc/32/24/22/362322422.db2.gz AVEDSUMIAXJIKY-AWEZNQCLSA-N 0 0 280.393 1.976 10 70 CDIERN CNC(=O)Cn1cc(NCc2coc3ccccc23)cn1 ZINC000159820219 362373349 /nfs/dbraw/zinc/37/33/49/362373349.db2.gz NURLMXDGOIOTTO-UHFFFAOYSA-N 0 0 284.319 1.987 10 70 CDIERN C[C@@H]1OCC[C@@H]1NC(=O)Nc1ccnn1C[C@@H]1CCOC1 ZINC000159703740 362497709 /nfs/dbraw/zinc/49/77/09/362497709.db2.gz LTYVLGBQPRVMLL-SRVKXCTJSA-N 0 0 294.355 1.219 10 70 CDIERN CN(C(=O)c1ccc(C(N)=S)cc1)[C@H]1CCOC1 ZINC000159433296 188425699 /nfs/dbraw/zinc/42/56/99/188425699.db2.gz LZZUSMUYMVKIBV-NSHDSACASA-N 0 0 264.350 1.182 10 70 CDIERN C[C@H](CSCc1noc(C2CC2)n1)CS(C)(=O)=O ZINC000159822478 363353827 /nfs/dbraw/zinc/35/38/27/363353827.db2.gz KTUCLFVWPWMFDV-MRVPVSSYSA-N 0 0 290.410 1.861 10 70 CDIERN CC[C@H](C)OCC(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000159997557 363562920 /nfs/dbraw/zinc/56/29/20/363562920.db2.gz FAAGQQDVMSYEHH-QWHCGFSZSA-N 0 0 256.390 1.744 10 70 CDIERN O=C(NCCC[C@@H]1CCCC[C@H]1O)Nc1cccnn1 ZINC000160524441 237178888 /nfs/dbraw/zinc/17/88/88/237178888.db2.gz KSCFDCCOWBDVQQ-NWDGAFQWSA-N 0 0 278.356 1.929 10 70 CDIERN O=C(N[C@H]1COc2ccccc21)[C@H]1CCn2ccnc2C1 ZINC000160998291 359949614 /nfs/dbraw/zinc/94/96/14/359949614.db2.gz GPLUXXSBSQOEAC-AAEUAGOBSA-N 0 0 283.331 1.695 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)N[C@@H](C)CSC ZINC000160684418 360772550 /nfs/dbraw/zinc/77/25/50/360772550.db2.gz OKPIMAKIQRTTJC-ZETCQYMHSA-N 0 0 285.369 1.352 10 70 CDIERN O=C(NC1(CO)CC1)c1ccn(-c2c(F)cccc2F)n1 ZINC000160373754 363835321 /nfs/dbraw/zinc/83/53/21/363835321.db2.gz PJWNYBHODGXMLY-UHFFFAOYSA-N 0 0 293.273 1.405 10 70 CDIERN CC(=O)CCc1ccc(OCC(=O)NC2(CO)CC2)cc1 ZINC000160431346 363860667 /nfs/dbraw/zinc/86/06/67/363860667.db2.gz CMJNQSMLHRMPBV-UHFFFAOYSA-N 0 0 291.347 1.228 10 70 CDIERN CCN(CCc1nccs1)CC(=O)NCC(C)C ZINC000159393524 364198094 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CDIERN COC(=O)c1csc(NC(=O)NCC2(C)COC2)c1 ZINC000161128354 364451857 /nfs/dbraw/zinc/45/18/57/364451857.db2.gz LSQNSRNFXUMUIN-UHFFFAOYSA-N 0 0 284.337 1.693 10 70 CDIERN COC(=O)[C@@H]1CN(C(=O)C2CCC(C)(C)CC2)C[C@@H](C)O1 ZINC000161211479 367631646 /nfs/dbraw/zinc/63/16/46/367631646.db2.gz PGQUAZBQVJJCHA-YPMHNXCESA-N 0 0 297.395 1.992 10 70 CDIERN CCc1c(C(=O)N2CCO[C@H](CC)C2)[nH]c(C)c1C(N)=O ZINC000160822196 377120093 /nfs/dbraw/zinc/12/00/93/377120093.db2.gz WMTYSBKOSFFSKA-SNVBAGLBSA-N 0 0 293.367 1.235 10 70 CDIERN CCO[C@@H](C)c1nccn1Cc1nsc(N(C)C)n1 ZINC000161446542 377634482 /nfs/dbraw/zinc/63/44/82/377634482.db2.gz WYESKHDBJLXKER-VIFPVBQESA-N 0 0 281.385 1.946 10 70 CDIERN O=C(c1cncc(O)c1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000160482178 296290269 /nfs/dbraw/zinc/29/02/69/296290269.db2.gz LSGSBYBETNSQDR-SWLSCSKDSA-N 0 0 276.336 1.554 10 70 CDIERN C[C@H](CSCCOC[C@@H]1CCCO1)CS(C)(=O)=O ZINC000159815554 292770791 /nfs/dbraw/zinc/77/07/91/292770791.db2.gz CGPFEQWKIATKQX-NEPJUHHUSA-N 0 0 296.454 1.596 10 70 CDIERN COCc1csc(NC(=O)c2nc(C)c(C)[nH]c2=O)n1 ZINC000159968637 292775082 /nfs/dbraw/zinc/77/50/82/292775082.db2.gz ALIRCMDOSIHRSZ-UHFFFAOYSA-N 0 0 294.336 1.242 10 70 CDIERN C[C@@H](CC(=O)NC1(CO)CC1)c1ccccc1F ZINC000160284868 292782572 /nfs/dbraw/zinc/78/25/72/292782572.db2.gz CVNOCJULLDDPIO-JTQLQIEISA-N 0 0 251.301 1.960 10 70 CDIERN O=C(NC1(CO)CC1)c1ccc(OCC2CC2)cc1 ZINC000160343821 292784510 /nfs/dbraw/zinc/78/45/10/292784510.db2.gz IYXZRIFCIOKKOY-UHFFFAOYSA-N 0 0 261.321 1.730 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)NCCCCCOC ZINC000160404075 292786164 /nfs/dbraw/zinc/78/61/64/292786164.db2.gz UHYDSGMUVFDUCJ-UHFFFAOYSA-N 0 0 297.355 1.417 10 70 CDIERN COCCC1(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)CC1 ZINC000161112931 292800462 /nfs/dbraw/zinc/80/04/62/292800462.db2.gz JQRCMNYJWXJLLE-SNVBAGLBSA-N 0 0 294.317 1.556 10 70 CDIERN CCO[C@H](C)c1nccn1C[C@H](C)CS(C)(=O)=O ZINC000161458531 292806706 /nfs/dbraw/zinc/80/67/06/292806706.db2.gz OKTFYFJMNOZDPT-WDEREUQCSA-N 0 0 274.386 1.661 10 70 CDIERN CCN(CCCO)C(=O)c1cccc(NC(C)=O)c1 ZINC000160455986 521035628 /nfs/dbraw/zinc/03/56/28/521035628.db2.gz BWOUVGFQPPNTJU-UHFFFAOYSA-N 0 0 264.325 1.490 10 70 CDIERN CC[C@@H](O)CCNC(=O)CNC(=O)c1ccc(C)c(C)c1 ZINC000160895105 522979338 /nfs/dbraw/zinc/97/93/38/522979338.db2.gz TZYWKFMFHBYUKK-CQSZACIVSA-N 0 0 292.379 1.310 10 70 CDIERN COCCC1(CNC(=O)NCC2(C)COC2)CCCC1 ZINC000160422168 523041504 /nfs/dbraw/zinc/04/15/04/523041504.db2.gz IUZZDRCKTJSLPY-UHFFFAOYSA-N 0 0 284.400 1.919 10 70 CDIERN COC(=O)[C@@H]1CN(C(=O)C2CCC(F)(F)CC2)CCO1 ZINC000161002130 523733892 /nfs/dbraw/zinc/73/38/92/523733892.db2.gz IYYBIMMPPGWHLA-JTQLQIEISA-N 0 0 291.294 1.212 10 70 CDIERN Cc1ccc(NC(=O)N[C@H]2CCc3ncnn3C2)c(F)c1 ZINC000161189420 525183747 /nfs/dbraw/zinc/18/37/47/525183747.db2.gz ORZCQNFLRKXRRF-JTQLQIEISA-N 0 0 289.314 1.862 10 70 CDIERN CCN(Cc1nc2ccccc2c(=O)[nH]1)C[C@@](C)(O)CC ZINC000160501269 528887149 /nfs/dbraw/zinc/88/71/49/528887149.db2.gz MHHMSFKOFUYEGR-INIZCTEOSA-N 0 0 289.379 1.906 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)NC(C1CC1)C1CC1 ZINC000160035004 539115220 /nfs/dbraw/zinc/11/52/20/539115220.db2.gz PFBYQVZOMMBDIF-UHFFFAOYSA-N 0 0 291.351 1.789 10 70 CDIERN NC(=O)NCC(=O)NCCc1ccc(-c2ccccc2)cc1 ZINC000160224032 539115715 /nfs/dbraw/zinc/11/57/15/539115715.db2.gz AVAAZBJIHBTSKZ-UHFFFAOYSA-N 0 0 297.358 1.681 10 70 CDIERN C[C@H](C(=O)N1CCC(OCCCO)CC1)C1CC1 ZINC000160342141 539115844 /nfs/dbraw/zinc/11/58/44/539115844.db2.gz JBBGYBPQFGYKQH-NSHDSACASA-N 0 0 255.358 1.423 10 70 CDIERN CO[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000161166795 362443636 /nfs/dbraw/zinc/44/36/36/362443636.db2.gz WRKHJUBFLCHHOO-GARJFASQSA-N 0 0 286.397 1.408 10 70 CDIERN Cn1nnc2ccc(C(=O)N[C@@H]3CCOC(C)(C)C3)cc21 ZINC000159689465 362489731 /nfs/dbraw/zinc/48/97/31/362489731.db2.gz LOKRNPSOQPMQIM-LLVKDONJSA-N 0 0 288.351 1.656 10 70 CDIERN CC(C)c1cc(C(=O)Nc2ccc(C(N)=O)nc2)no1 ZINC000161074176 362564595 /nfs/dbraw/zinc/56/45/95/362564595.db2.gz CRTLMCTYZSYUPM-UHFFFAOYSA-N 0 0 274.280 1.544 10 70 CDIERN COC(=O)[C@H](NC(=O)c1cccc2[nH]cnc21)C(C)(C)C ZINC000159565856 345218538 /nfs/dbraw/zinc/21/85/38/345218538.db2.gz BSYNXQZIVLEXFC-LBPRGKRZSA-N 0 0 289.335 1.880 10 70 CDIERN CC(=O)Nc1ccc(Cl)c(NC(=O)NC2(CO)CC2)c1 ZINC000161137180 362692695 /nfs/dbraw/zinc/69/26/95/362692695.db2.gz TWDVPAQXQAFGTK-UHFFFAOYSA-N 0 0 297.742 1.945 10 70 CDIERN C[C@H]1CC[C@H](C)N1C(=O)c1cnc2c(c1)ncn2C ZINC000160796448 346604694 /nfs/dbraw/zinc/60/46/94/346604694.db2.gz WGPTXGCFECIXSU-UWVGGRQHSA-N 0 0 258.325 1.981 10 70 CDIERN COc1cccc(Cl)c1CC(=O)N[C@H](C(N)=O)C(C)C ZINC000159870765 188446295 /nfs/dbraw/zinc/44/62/95/188446295.db2.gz ARKQOJZSBAARHX-ZDUSSCGKSA-N 0 0 298.770 1.517 10 70 CDIERN CCc1cccc(CC(=O)NCc2ccc(C(N)=O)o2)c1 ZINC000160230432 363777489 /nfs/dbraw/zinc/77/74/89/363777489.db2.gz OXFKWQHSXAUQIA-UHFFFAOYSA-N 0 0 286.331 1.800 10 70 CDIERN C[C@H](CCO)NC(=O)NCCc1c[nH]c2ccc(F)cc12 ZINC000160237618 364323279 /nfs/dbraw/zinc/32/32/79/364323279.db2.gz HAJVXAZSLMGJGD-SNVBAGLBSA-N 0 0 293.342 1.920 10 70 CDIERN COc1cccc(Cl)c1CC(=O)NCc1ncn(C)n1 ZINC000160830418 364416250 /nfs/dbraw/zinc/41/62/50/364416250.db2.gz HHCRRVVCHAKJFL-UHFFFAOYSA-N 0 0 294.742 1.336 10 70 CDIERN CCCC[C@H](NC(N)=O)C(=O)NCCC1=CCCC1 ZINC000161263456 364471043 /nfs/dbraw/zinc/47/10/43/364471043.db2.gz TZVNPJFDTZFZTF-LBPRGKRZSA-N 0 0 267.373 1.830 10 70 CDIERN CCC(=O)N1CC[C@@H](C(=O)Nc2nccn2CC(C)C)C1 ZINC000161400263 364487730 /nfs/dbraw/zinc/48/77/30/364487730.db2.gz KFEZFRBOGLOAEN-GFCCVEGCSA-N 0 0 292.383 1.736 10 70 CDIERN Cc1cc(C[C@@H](C)NC(=O)[C@H](C)OC[C@@H]2CCCO2)[nH]n1 ZINC000161402646 364488565 /nfs/dbraw/zinc/48/85/65/364488565.db2.gz ZPXFVJTXLFZGSY-OSMZGAPFSA-N 0 0 295.383 1.349 10 70 CDIERN CCCNC(=O)CCC(=O)N[C@@H](C)Cc1cc(C)n[nH]1 ZINC000161185782 364461302 /nfs/dbraw/zinc/46/13/02/364461302.db2.gz DWZPAOISCYHGOR-JTQLQIEISA-N 0 0 280.372 1.072 10 70 CDIERN COC(=O)[C@H](N[C@H]1CCC(=O)N(C)C1)c1ccccc1 ZINC000161208018 367606802 /nfs/dbraw/zinc/60/68/02/367606802.db2.gz 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361923950 /nfs/dbraw/zinc/92/39/50/361923950.db2.gz VVXXCRQFTOYGGE-LLVKDONJSA-N 0 0 266.345 1.257 10 70 CDIERN CCO[C@@H](CCNC(=O)N1CCC[C@@H]1C(=O)NC)C(C)C ZINC000159378745 539114098 /nfs/dbraw/zinc/11/40/98/539114098.db2.gz YMJOPSCKLBDKAN-OLZOCXBDSA-N 0 0 299.415 1.358 10 70 CDIERN CS(=O)(=O)CCCCS(=O)(=O)c1ccccc1F ZINC000160308386 539115768 /nfs/dbraw/zinc/11/57/68/539115768.db2.gz QSPJREITGXWORH-UHFFFAOYSA-N 0 0 294.369 1.424 10 70 CDIERN CNC(=O)[C@H]1CCCN1C(=O)N[C@H](C)CC(C)C ZINC000160218951 529923768 /nfs/dbraw/zinc/92/37/68/529923768.db2.gz ZLXICMFYCAGIFO-GHMZBOCLSA-N 0 0 255.362 1.341 10 70 CDIERN C[C@@H](CO)[C@H](C)NC(=O)CCc1nc2ccccc2[nH]1 ZINC000160347110 362415880 /nfs/dbraw/zinc/41/58/80/362415880.db2.gz JHZGXQNLWDVDIN-QWRGUYRKSA-N 0 0 275.352 1.629 10 70 CDIERN COc1ccc([S@](=O)C[C@@H](C)CS(C)(=O)=O)cc1 ZINC000161050670 362516412 /nfs/dbraw/zinc/51/64/12/362516412.db2.gz OMYPUZYXDNQSGF-QGHHPUGFSA-N 0 0 290.406 1.484 10 70 CDIERN CCOC(=O)[C@@H](N)C(=O)N(C)Cc1ccc(Cl)cc1 ZINC000159556557 345216620 /nfs/dbraw/zinc/21/66/20/345216620.db2.gz DXWBTLRXFUQFJK-NSHDSACASA-N 0 0 284.743 1.189 10 70 CDIERN C[C@H]1CCN(C(=O)c2cnc3c(c2)ncn3C)[C@H]1C ZINC000160710753 346199523 /nfs/dbraw/zinc/19/95/23/346199523.db2.gz JTXGKLVDEXRBGW-UWVGGRQHSA-N 0 0 258.325 1.839 10 70 CDIERN Cc1cc(C)n([C@H](C)C(=O)N[C@H]2CCC[C@@H]2O)n1 ZINC000161128245 365956032 /nfs/dbraw/zinc/95/60/32/365956032.db2.gz DVVRFEBRQWTAIW-WOPDTQHZSA-N 0 0 251.330 1.091 10 70 CDIERN CC[C@H](CO)NC(=O)NCc1cn(C)nc1C(F)(F)F ZINC000160766360 188490144 /nfs/dbraw/zinc/49/01/44/188490144.db2.gz CIJYVSGGQQTPCE-MRVPVSSYSA-N 0 0 294.277 1.009 10 70 CDIERN Cc1cc(C[C@@H](C)NC(=O)[C@@H]2COc3ccccc32)[nH]n1 ZINC000161316948 188521658 /nfs/dbraw/zinc/52/16/58/188521658.db2.gz CXYCFGQZGPTIJS-QMTHXVAHSA-N 0 0 285.347 1.942 10 70 CDIERN COc1nc(C)nc(NCCCOC[C@@H]2CCOC2)c1C ZINC000159403437 358483704 /nfs/dbraw/zinc/48/37/04/358483704.db2.gz SRIVDMOXWVUIJS-ZDUSSCGKSA-N 0 0 295.383 1.957 10 70 CDIERN CC(C)N(CCc1nccs1)Cc1nccc(N)n1 ZINC000159921565 363462333 /nfs/dbraw/zinc/46/23/33/363462333.db2.gz QBUCFNVOAQPGIW-UHFFFAOYSA-N 0 0 277.397 1.968 10 70 CDIERN CC1CCN(C(=O)N(C)CC(=O)N2CCCC2)CC1 ZINC000160401193 482798558 /nfs/dbraw/zinc/79/85/58/482798558.db2.gz HDTYFHGGSVKANU-UHFFFAOYSA-N 0 0 267.373 1.393 10 70 CDIERN COCCC1(CNC(=O)NC[C@H](O)C(C)C)CC1 ZINC000161102458 237190825 /nfs/dbraw/zinc/19/08/25/237190825.db2.gz YYEIFTHMQIJQQQ-NSHDSACASA-N 0 0 258.362 1.119 10 70 CDIERN CCN(CCc1nccs1)Cc1nccc(N)n1 ZINC000159398941 364199777 /nfs/dbraw/zinc/19/97/77/364199777.db2.gz DZNUVCMOYRORAX-UHFFFAOYSA-N 0 0 263.370 1.580 10 70 CDIERN O=S(=O)(Cc1ccon1)NCCc1ccccc1O ZINC000159658280 364247793 /nfs/dbraw/zinc/24/77/93/364247793.db2.gz WSDPRJUBBWQMJF-UHFFFAOYSA-N 0 0 282.321 1.042 10 70 CDIERN Cc1ccc(C(=O)CCN2CCS(=O)(=O)[C@H](C)C2)cc1 ZINC000159757831 364262901 /nfs/dbraw/zinc/26/29/01/364262901.db2.gz GNTPWPCACNPCGC-CYBMUJFWSA-N 0 0 295.404 1.687 10 70 CDIERN O=C(Cn1c(=O)[nH]c2ccccc21)NCC1(C2CC2)CC1 ZINC000159927371 364282097 /nfs/dbraw/zinc/28/20/97/364282097.db2.gz ZKJSHJMLGHQGMQ-UHFFFAOYSA-N 0 0 285.347 1.636 10 70 CDIERN CC1(C)C[C@H]1C(=O)Nc1n[nH]c(-c2ccccn2)n1 ZINC000160543791 364370624 /nfs/dbraw/zinc/37/06/24/364370624.db2.gz NYLPIHNMWATOPE-QMMMGPOBSA-N 0 0 257.297 1.851 10 70 CDIERN CS[C@@H](C)CNC(=O)N[C@@H](C)Cc1cc(C)n[nH]1 ZINC000160756295 364405274 /nfs/dbraw/zinc/40/52/74/364405274.db2.gz VLAIVZCARNDBAW-WPRPVWTQSA-N 0 0 270.402 1.700 10 70 CDIERN CN(CC1CC1)C(=O)c1cccc(-c2nc[nH]n2)c1 ZINC000161097860 364448378 /nfs/dbraw/zinc/44/83/78/364448378.db2.gz PJDDPCKVWWWNIJ-UHFFFAOYSA-N 0 0 256.309 1.954 10 70 CDIERN Cc1cc(C[C@@H](C)NC(=O)CCc2cnn(C)c2)[nH]n1 ZINC000161140431 364453752 /nfs/dbraw/zinc/45/37/52/364453752.db2.gz BUFYANNMXODREZ-SNVBAGLBSA-N 0 0 275.356 1.132 10 70 CDIERN C[C@@H](CC(=O)NCCN1CCOCC1)C(F)(F)F ZINC000218236187 364995921 /nfs/dbraw/zinc/99/59/21/364995921.db2.gz YMFQGYSGQJKHAS-VIFPVBQESA-N 0 0 268.279 1.023 10 70 CDIERN CC(C)c1noc2ncc(C(=O)N(C)[C@@H](C)CO)cc21 ZINC000160398500 377059512 /nfs/dbraw/zinc/05/95/12/377059512.db2.gz AQKKPMRXZQAIQA-VIFPVBQESA-N 0 0 277.324 1.799 10 70 CDIERN C[C@@H]1CCOCCN1C(=O)c1cnc(C(F)(F)F)nc1 ZINC000159907750 287636943 /nfs/dbraw/zinc/63/69/43/287636943.db2.gz OQTYWKQGVBPDBQ-MRVPVSSYSA-N 0 0 289.257 1.746 10 70 CDIERN CC[C@@H]1CCCCCN1C(=O)NCCN1CCOCC1 ZINC000160810243 280235587 /nfs/dbraw/zinc/23/55/87/280235587.db2.gz GRVKZHXLRABIEV-CQSZACIVSA-N 0 0 283.416 1.683 10 70 CDIERN CC(C)NC(=O)Nc1cccc(C(=O)NC2(CO)CC2)c1 ZINC000160260451 292781945 /nfs/dbraw/zinc/78/19/45/292781945.db2.gz FMVNMMZYVWJBCO-UHFFFAOYSA-N 0 0 291.351 1.471 10 70 CDIERN Cn1cc(C(N)=O)cc1C(=O)NCCC1=CCCC1 ZINC000160296228 292783028 /nfs/dbraw/zinc/78/30/28/292783028.db2.gz NZGNBWXKPNIGJM-UHFFFAOYSA-N 0 0 261.325 1.354 10 70 CDIERN C[C@@H](CS(C)(=O)=O)CS(=O)(=O)C1CCCC1 ZINC000160346653 292784129 /nfs/dbraw/zinc/78/41/29/292784129.db2.gz HJNRFYGEESRDJE-VIFPVBQESA-N 0 0 268.400 1.025 10 70 CDIERN C[C@@H](Sc1ccccn1)C(=O)NC1(CO)CC1 ZINC000160422464 292786319 /nfs/dbraw/zinc/78/63/19/292786319.db2.gz BEKUCKBACAZWRZ-SECBINFHSA-N 0 0 252.339 1.203 10 70 CDIERN CCOc1ccc(NC(=O)NC2(CO)CC2)cc1F ZINC000161144110 292800590 /nfs/dbraw/zinc/80/05/90/292800590.db2.gz AUICWSNFYAQZNJ-UHFFFAOYSA-N 0 0 268.288 1.871 10 70 CDIERN O=C(Nc1nc[nH]n1)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000161021269 292798005 /nfs/dbraw/zinc/79/80/05/292798005.db2.gz KGAYUKJDXFDSDK-APPZFPTMSA-N 0 0 264.235 1.825 10 70 CDIERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N[C@H]1C[C@H]1C)CC2 ZINC000161442345 519872212 /nfs/dbraw/zinc/87/22/12/519872212.db2.gz HSZGHHZCTRXPJP-MXWKQRLJSA-N 0 0 277.372 1.424 10 70 CDIERN CCCCN(CCOC)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000161148219 520529572 /nfs/dbraw/zinc/52/95/72/520529572.db2.gz JQZQDRCHHWCWEN-GFCCVEGCSA-N 0 0 295.387 1.051 10 70 CDIERN C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)c1cn[nH]n1 ZINC000160445081 539115867 /nfs/dbraw/zinc/11/58/67/539115867.db2.gz IUBDXVRKVGPHJH-VIFPVBQESA-N 0 0 260.297 1.214 10 70 CDIERN COc1ccc(COCCC(=O)NC2(CO)CC2)cc1 ZINC000160454433 539115872 /nfs/dbraw/zinc/11/58/72/539115872.db2.gz QVXHAXBINLYXOO-UHFFFAOYSA-N 0 0 279.336 1.243 10 70 CDIERN C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)c1cc[nH]c(=O)c1 ZINC000160531753 539116017 /nfs/dbraw/zinc/11/60/17/539116017.db2.gz OHZSHFLXBGENGD-NSHDSACASA-N 0 0 286.331 1.784 10 70 CDIERN CCn1nc(C)cc1C(=O)Nc1cccc2c1C(=O)NC2 ZINC000159480808 345068460 /nfs/dbraw/zinc/06/84/60/345068460.db2.gz FLYZBJQBHSCBPL-UHFFFAOYSA-N 0 0 284.319 1.707 10 70 CDIERN O=C(c1ccc(CO)cc1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160369204 346006652 /nfs/dbraw/zinc/00/66/52/346006652.db2.gz OKWKCBVCCBHFGJ-NVXWUHKLSA-N 0 0 289.375 1.946 10 70 CDIERN O=c1c(N2CC[C@@]3(O)CCCC[C@@H]3C2)nccn1C1CC1 ZINC000160641223 370658544 /nfs/dbraw/zinc/65/85/44/370658544.db2.gz RJVCHNODLWRSOM-WBMJQRKESA-N 0 0 289.379 1.710 10 70 CDIERN Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2nocc2C)o1 ZINC000160057486 188453455 /nfs/dbraw/zinc/45/34/55/188453455.db2.gz MEQYNORWAHDJGY-SECBINFHSA-N 0 0 277.280 1.700 10 70 CDIERN Cc1c(NC(=O)C(=O)N[C@H]2C[C@@H]2C)cnn1-c1ccccc1 ZINC000160998956 188503106 /nfs/dbraw/zinc/50/31/06/188503106.db2.gz HCSXZKCBZFVBQJ-GWCFXTLKSA-N 0 0 298.346 1.644 10 70 CDIERN COC[C@H](O)CCNC(=O)CC/C=C/c1ccccc1 ZINC000161410073 188525661 /nfs/dbraw/zinc/52/56/61/188525661.db2.gz USHLLGAAGVHOJN-FUVBFXSKSA-N 0 0 277.364 1.994 10 70 CDIERN COc1ccc(CCC(=O)NC2(CO)CC2)cc1F ZINC000160348416 363820510 /nfs/dbraw/zinc/82/05/10/363820510.db2.gz BFDULEDCTPCYQT-UHFFFAOYSA-N 0 0 267.300 1.408 10 70 CDIERN C[C@H](CS(C)(=O)=O)CS(=O)(=O)C1CCCC1 ZINC000160346789 363820896 /nfs/dbraw/zinc/82/08/96/363820896.db2.gz HJNRFYGEESRDJE-SECBINFHSA-N 0 0 268.400 1.025 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)N[C@@H]1CCC[C@H]1C ZINC000160507414 363962282 /nfs/dbraw/zinc/96/22/82/363962282.db2.gz YQPLUHAVXMZHJN-LDYMZIIASA-N 0 0 279.340 1.789 10 70 CDIERN CCc1nnc(CN[C@H](C)c2ccc(-n3ccnn3)cc2)[nH]1 ZINC000160522107 363971097 /nfs/dbraw/zinc/97/10/97/363971097.db2.gz PMTYSPONNIXCMW-LLVKDONJSA-N 0 0 297.366 1.799 10 70 CDIERN CCCCSCCC(=O)NCc1ccnn1C ZINC000159583418 364238055 /nfs/dbraw/zinc/23/80/55/364238055.db2.gz ZAAYCEQMMLYWAY-UHFFFAOYSA-N 0 0 255.387 1.960 10 70 CDIERN O=C([C@H]1OCCc2ccccc21)N1[C@@H]2CC[C@H]1CC(O)C2 ZINC000160432436 364352376 /nfs/dbraw/zinc/35/23/76/364352376.db2.gz YTJGLWDEMSUPJY-DXBFTMOHSA-N 0 0 287.359 1.815 10 70 CDIERN COc1cccc(OCCCNC(=O)C[C@@H](O)C(C)C)c1 ZINC000160544731 364371042 /nfs/dbraw/zinc/37/10/42/364371042.db2.gz MUECJGQUYZKTJP-OAHLLOKOSA-N 0 0 295.379 1.987 10 70 CDIERN CCc1ncsc1C(=O)NC[C@H]1CCCC[C@H]1O ZINC000160724603 364401161 /nfs/dbraw/zinc/40/11/61/364401161.db2.gz AJVDHUDTRDWSPC-MWLCHTKSSA-N 0 0 268.382 1.986 10 70 CDIERN Cc1cc(C[C@@H](C)NC(=O)c2cnc3n[nH]c(C)c3c2)[nH]n1 ZINC000161399226 364488385 /nfs/dbraw/zinc/48/83/85/364488385.db2.gz VNIQKZPRYPMTFZ-MRVPVSSYSA-N 0 0 298.350 1.659 10 70 CDIERN Cc1cc(C[C@@H](C)NC(=O)c2cc(C(N)=O)cs2)[nH]n1 ZINC000161407014 364489866 /nfs/dbraw/zinc/48/98/66/364489866.db2.gz ZEANPHUYMANJIQ-SSDOTTSWSA-N 0 0 292.364 1.240 10 70 CDIERN C[C@]1(NC(=O)c2cc(S(C)(=O)=O)cs2)CCOC1 ZINC000161450088 364494643 /nfs/dbraw/zinc/49/46/43/364494643.db2.gz KUNRLYVZXDODAF-NSHDSACASA-N 0 0 289.378 1.060 10 70 CDIERN CC[C@@H]1CN(C(=O)c2cnc3c(c2)ncn3C)CCO1 ZINC000160066475 375632342 /nfs/dbraw/zinc/63/23/42/375632342.db2.gz YKDPIEHLLKCWCH-LLVKDONJSA-N 0 0 274.324 1.219 10 70 CDIERN CCN(C[C@H]1CCCO1)C(=O)c1cnc2c(c1)ncn2C ZINC000160210737 378461150 /nfs/dbraw/zinc/46/11/50/378461150.db2.gz QZCRXFHQYJLWES-GFCCVEGCSA-N 0 0 288.351 1.609 10 70 CDIERN C[C@H]1CCC[C@@H](CNC(=O)C2=NNC(=O)CC2)C1 ZINC000218010275 140165584 /nfs/dbraw/zinc/16/55/84/140165584.db2.gz LBWFSPHIERSZNG-VHSXEESVSA-N 0 0 251.330 1.195 10 70 CDIERN C[C@H](NC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1)[C@@H]1CCCO1 ZINC000159789933 289849923 /nfs/dbraw/zinc/84/99/23/289849923.db2.gz MKEODHDEBSEYQC-KNCOVGOOSA-N 0 0 296.411 1.891 10 70 CDIERN CCc1cc(C(=O)N(CCOC)CC(=O)OC)oc1CC ZINC000160593545 292790753 /nfs/dbraw/zinc/79/07/53/292790753.db2.gz HGLTWXLJHLXCQE-UHFFFAOYSA-N 0 0 297.351 1.666 10 70 CDIERN Cc1nc(C(=O)N2CCC[C@H]2c2ccco2)c(=O)[nH]c1C ZINC000160216528 302551140 /nfs/dbraw/zinc/55/11/40/302551140.db2.gz APDRTURDSWZZSO-NSHDSACASA-N 0 0 287.319 1.957 10 70 CDIERN CC(C)n1nnnc1CN1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160934731 520143430 /nfs/dbraw/zinc/14/34/30/520143430.db2.gz TUEKREGNEHBWFI-OCCSQVGLSA-N 0 0 279.388 1.381 10 70 CDIERN COC[C@H](NC(=O)[C@H]1CCn2ccnc2C1)c1ccccc1 ZINC000161181038 522725287 /nfs/dbraw/zinc/72/52/87/522725287.db2.gz IKRGQBBIPCLYAO-GJZGRUSLSA-N 0 0 299.374 1.949 10 70 CDIERN Cc1cc(NC(=O)CN(C)Cc2nccn2C(C)C)no1 ZINC000160728311 525135286 /nfs/dbraw/zinc/13/52/86/525135286.db2.gz LTHABWZRTLAFGC-UHFFFAOYSA-N 0 0 291.355 1.831 10 70 CDIERN O=C(c1ccc[nH]c1=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000161456249 526822941 /nfs/dbraw/zinc/82/29/41/526822941.db2.gz TVTMSNJVPRQOSS-GFCCVEGCSA-N 0 0 285.303 1.476 10 70 CDIERN CCC1(CNC(=O)N2CCC[C@@H]2C(=O)NC)CC1 ZINC000159575095 527714281 /nfs/dbraw/zinc/71/42/81/527714281.db2.gz 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GYYGKMZWDCTVHK-VIFPVBQESA-N 0 0 297.380 1.496 10 70 CDIERN CC(C)N(C)C(=O)NCc1cn(C)nc1C(F)(F)F ZINC000160811101 188492549 /nfs/dbraw/zinc/49/25/49/188492549.db2.gz UJXSZYJNWVCJEH-UHFFFAOYSA-N 0 0 278.278 1.989 10 70 CDIERN CCn1nc(C)cc1C(=O)N1CCOC[C@H]1C1CC1 ZINC000161390601 538853427 /nfs/dbraw/zinc/85/34/27/538853427.db2.gz ZPSLXQDWDWRUEL-ZDUSSCGKSA-N 0 0 263.341 1.462 10 70 CDIERN COCCC1(CNC(=O)NC[C@@H]2CCCC[C@@H]2O)CC1 ZINC000161026527 237188805 /nfs/dbraw/zinc/18/88/05/237188805.db2.gz FFSHHMSVLHSKET-STQMWFEESA-N 0 0 284.400 1.653 10 70 CDIERN O=C(NC1(CO)CC1)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000160248527 363791512 /nfs/dbraw/zinc/79/15/12/363791512.db2.gz BWTBXVXGHFRNMV-UHFFFAOYSA-N 0 0 291.738 1.985 10 70 CDIERN COc1nc(C)nc(N2CCC(NC(C)=O)CC2)c1C ZINC000159364195 361662366 /nfs/dbraw/zinc/66/23/66/361662366.db2.gz ZONNSMGQLMTHCD-UHFFFAOYSA-N 0 0 278.356 1.207 10 70 CDIERN Cn1cnc2cc(C(=O)NC3(C)CCOCC3)cnc21 ZINC000159987308 363818186 /nfs/dbraw/zinc/81/81/86/363818186.db2.gz XLUVGSXPEOZPHY-UHFFFAOYSA-N 0 0 274.324 1.267 10 70 CDIERN O=C(Cn1cnc2ccccc2c1=O)NCC1(C2CC2)CC1 ZINC000160074546 364303974 /nfs/dbraw/zinc/30/39/74/364303974.db2.gz OLWJICZOUJWOBQ-UHFFFAOYSA-N 0 0 297.358 1.703 10 70 CDIERN Cc1cc(F)ccc1NC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000160952931 364432526 /nfs/dbraw/zinc/43/25/26/364432526.db2.gz XSRFVAYISNQOEA-LLVKDONJSA-N 0 0 289.314 1.862 10 70 CDIERN C[C@H](CO)[C@H](C)NC(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000160819899 364413116 /nfs/dbraw/zinc/41/31/16/364413116.db2.gz RSBYGXYJSGCIMU-SFYZADRCSA-N 0 0 294.277 1.584 10 70 CDIERN CCc1cnc(CNC(=O)C[C@H](O)C(C)C)s1 ZINC000161220115 364465679 /nfs/dbraw/zinc/46/56/79/364465679.db2.gz CXFLSKWYKVHOCX-JTQLQIEISA-N 0 0 256.371 1.729 10 70 CDIERN CCC[C@H](NC(=O)[C@@H](C)n1cncn1)C(=O)OC(C)(C)C ZINC000161352249 364480678 /nfs/dbraw/zinc/48/06/78/364480678.db2.gz UGIMVEXCKDOPIV-MNOVXSKESA-N 0 0 296.371 1.466 10 70 CDIERN OCCN1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161133632 367247036 /nfs/dbraw/zinc/24/70/36/367247036.db2.gz ALJYYNZKMXDANZ-NWDGAFQWSA-N 0 0 275.270 1.805 10 70 CDIERN C[C@@H](CO)CNC(=O)c1ccc(N2CCCC2)c(F)c1 ZINC000160480159 377070025 /nfs/dbraw/zinc/07/00/25/377070025.db2.gz VYFUQLCGLBHMRK-LLVKDONJSA-N 0 0 280.343 1.784 10 70 CDIERN CC1(C)C[C@@H](NC(=O)c2ccc(=O)[nH]n2)c2ccccc2O1 ZINC000159742152 275858941 /nfs/dbraw/zinc/85/89/41/275858941.db2.gz QIGFPYVWROUJNQ-GFCCVEGCSA-N 0 0 299.330 1.802 10 70 CDIERN CC(C)(C)N1C[C@H](NC(=O)[C@@H]2CC2(C)C)CC1=O ZINC000159856466 292772002 /nfs/dbraw/zinc/77/20/02/292772002.db2.gz PQLHNXVZPHPMSV-ZJUUUORDSA-N 0 0 252.358 1.548 10 70 CDIERN O=C(NC1(CO)CC1)[C@H]1SCCc2ccccc21 ZINC000160214178 292780570 /nfs/dbraw/zinc/78/05/70/292780570.db2.gz MDQLJYDMLPLVAG-LBPRGKRZSA-N 0 0 263.362 1.658 10 70 CDIERN Cc1ccc(Nc2cccc(C(=O)NC3(CO)CC3)c2)nn1 ZINC000160403646 292786488 /nfs/dbraw/zinc/78/64/88/292786488.db2.gz ULYMFXFDCIRDNI-UHFFFAOYSA-N 0 0 298.346 1.783 10 70 CDIERN O=C(Nc1ccc2c(c1)CCC(=O)N2)NC1(CO)CC1 ZINC000160566075 292789803 /nfs/dbraw/zinc/78/98/03/292789803.db2.gz JGXVUZWGBYZBFG-UHFFFAOYSA-N 0 0 275.308 1.218 10 70 CDIERN COCCOc1cccc(NC(=O)NC2(CO)CC2)c1 ZINC000161026516 292798725 /nfs/dbraw/zinc/79/87/25/292798725.db2.gz NGWHUPDFWDBECS-UHFFFAOYSA-N 0 0 280.324 1.358 10 70 CDIERN CCCCN(CCOC)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000161148344 520532173 /nfs/dbraw/zinc/53/21/73/520532173.db2.gz JQZQDRCHHWCWEN-LBPRGKRZSA-N 0 0 295.387 1.051 10 70 CDIERN CCC[C@H](NC(=O)[C@@H]1CCNC(=O)C1)C(=O)OC(C)(C)C ZINC000161450657 521137112 /nfs/dbraw/zinc/13/71/12/521137112.db2.gz FWYBOGFJIIGPMG-MNOVXSKESA-N 0 0 298.383 1.139 10 70 CDIERN CCC1(CNC(=O)C2CC3(C2)NC(=O)NC3=O)CCCC1 ZINC000160804945 521703138 /nfs/dbraw/zinc/70/31/38/521703138.db2.gz WMNQVKPGLHNNNC-UHFFFAOYSA-N 0 0 293.367 1.061 10 70 CDIERN CCN1C[C@H](C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)CC1=O ZINC000160351078 521727996 /nfs/dbraw/zinc/72/79/96/521727996.db2.gz LHCRIKKNWWFKJZ-IOASZLSFSA-N 0 0 294.395 1.008 10 70 CDIERN CN(Cc1cccn1C)C(=O)NCC1(C)COC1 ZINC000160422311 523405259 /nfs/dbraw/zinc/40/52/59/523405259.db2.gz ZGXZBULRTSZZNJ-UHFFFAOYSA-N 0 0 251.330 1.203 10 70 CDIERN COCCN(CCOC)C(=O)N1CCC(C)CC1 ZINC000160389889 523707950 /nfs/dbraw/zinc/70/79/50/523707950.db2.gz RXIPTGLOCXEQCU-UHFFFAOYSA-N 0 0 258.362 1.433 10 70 CDIERN Cc1conc1NC(=O)C(=O)N1CCC[C@H]1c1ccco1 ZINC000161223089 526296388 /nfs/dbraw/zinc/29/63/88/526296388.db2.gz PBVCYJGQUSJHEB-JTQLQIEISA-N 0 0 289.291 1.878 10 70 CDIERN CCC[C@@H](NC(=O)[C@@H](C)n1cncn1)C(=O)OC(C)(C)C ZINC000161352371 528985938 /nfs/dbraw/zinc/98/59/38/528985938.db2.gz UGIMVEXCKDOPIV-GHMZBOCLSA-N 0 0 296.371 1.466 10 70 CDIERN CS(=O)(=O)CCCC[S@](=O)c1ccc(F)c(F)c1 ZINC000160418579 342482981 /nfs/dbraw/zinc/48/29/81/342482981.db2.gz IBACQGCSIRSJML-QGZVFWFLSA-N 0 0 296.360 1.897 10 70 CDIERN COC(=O)CCCC(=O)N1CCOc2nc(C)ccc21 ZINC000159904768 361918411 /nfs/dbraw/zinc/91/84/11/361918411.db2.gz PUQFCHGRIOSYJV-UHFFFAOYSA-N 0 0 278.308 1.459 10 70 CDIERN CC(C)(C)c1nsc(N[C@@H]2CCC[C@H]2C(N)=O)n1 ZINC000159918247 361937075 /nfs/dbraw/zinc/93/70/75/361937075.db2.gz VXWJMDVTZUDJSD-HTQZYQBOSA-N 0 0 268.386 1.902 10 70 CDIERN C[C@H](CO)[C@H](C)NC(=O)CCOc1cccc(F)c1 ZINC000160321226 539115675 /nfs/dbraw/zinc/11/56/75/539115675.db2.gz UXEXTLWCFTUXSL-MNOVXSKESA-N 0 0 269.316 1.728 10 70 CDIERN O=C(CCc1ccoc1)N1CCC(OCCCO)CC1 ZINC000160322077 539115759 /nfs/dbraw/zinc/11/57/59/539115759.db2.gz CLBKIZOWENXQKI-UHFFFAOYSA-N 0 0 281.352 1.602 10 70 CDIERN CCOc1ccc2cc(C(=O)NC3(CO)CC3)[nH]c2c1 ZINC000160335898 539115840 /nfs/dbraw/zinc/11/58/40/539115840.db2.gz HAVCDFMDRDCFDC-UHFFFAOYSA-N 0 0 274.320 1.821 10 70 CDIERN C[C@H](Cc1ccc(O)cc1)N(C)C(=O)c1cn[nH]n1 ZINC000160445201 539115905 /nfs/dbraw/zinc/11/59/05/539115905.db2.gz IUBDXVRKVGPHJH-SECBINFHSA-N 0 0 260.297 1.214 10 70 CDIERN Cc1cc(C[C@H](C)NC(=O)[C@@H](C)OCC2CC2)[nH]n1 ZINC000161403035 539117705 /nfs/dbraw/zinc/11/77/05/539117705.db2.gz UZKJLPDJVARBDB-GXSJLCMTSA-N 0 0 265.357 1.580 10 70 CDIERN CCOC(=O)C1(C(=O)NCc2cccc(C)n2)CCC1 ZINC000159560286 362328541 /nfs/dbraw/zinc/32/85/41/362328541.db2.gz WLTQVEMHMAPMBA-UHFFFAOYSA-N 0 0 276.336 1.740 10 70 CDIERN CC[C@@H](NC(=O)c1cnc2c(c1)ncn2C)[C@H]1CCCO1 ZINC000160995167 347042575 /nfs/dbraw/zinc/04/25/75/347042575.db2.gz RIWWSWXURXLFRF-DGCLKSJQSA-N 0 0 288.351 1.656 10 70 CDIERN C[C@@H](C[S@](=O)c1ccc(O)cc1)CS(C)(=O)=O ZINC000161064866 362546650 /nfs/dbraw/zinc/54/66/50/362546650.db2.gz VUOUGNRHJQIRDC-XXFAHNHDSA-N 0 0 276.379 1.181 10 70 CDIERN CC[C@@H](NS(=O)(=O)N(C)CCOC)c1nccs1 ZINC000159970456 345317406 /nfs/dbraw/zinc/31/74/06/345317406.db2.gz ZOESISZYEZFGQQ-SECBINFHSA-N 0 0 293.414 1.007 10 70 CDIERN CCOCCOCC(=O)NCCc1cc2ccccc2[nH]1 ZINC000159577506 362931738 /nfs/dbraw/zinc/93/17/38/362931738.db2.gz SZPKAJACFCWSIG-UHFFFAOYSA-N 0 0 290.363 1.880 10 70 CDIERN C[C@H](CCC1CCCCC1)NC(=O)C[C@@H]1NC(=O)NC1=O ZINC000159668534 363174083 /nfs/dbraw/zinc/17/40/83/363174083.db2.gz DWUISGDFPJSHQS-PWSUYJOCSA-N 0 0 295.383 1.450 10 70 CDIERN C[C@@H]1CC[C@@H](C(=O)N(C)CC(C)(C)CN2CCOCC2)O1 ZINC000159902437 363437219 /nfs/dbraw/zinc/43/72/19/363437219.db2.gz MKAWHOOODPHFDH-KGLIPLIRSA-N 0 0 298.427 1.371 10 70 CDIERN CCCN(CC(=O)N(C)C)C(=O)N1CCC(C)CC1 ZINC000160429416 283079253 /nfs/dbraw/zinc/07/92/53/283079253.db2.gz IVLXFKDWPFYMGI-UHFFFAOYSA-N 0 0 269.389 1.639 10 70 CDIERN CNC(=O)c1cccc(CCC(=O)N(C)CC2CC2)c1 ZINC000159365047 358443402 /nfs/dbraw/zinc/44/34/02/358443402.db2.gz HFVLIEYZFJUKGF-UHFFFAOYSA-N 0 0 274.364 1.847 10 70 CDIERN CN(C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)[C@H]1CCOC1 ZINC000160903795 358778464 /nfs/dbraw/zinc/77/84/64/358778464.db2.gz JXBUHBGMXYMXIZ-RVMXOQNASA-N 0 0 280.368 1.374 10 70 CDIERN CN(C)c1ccc(NC(=O)CN(C)[C@H]2CCSC2)cn1 ZINC000159516216 361674169 /nfs/dbraw/zinc/67/41/69/361674169.db2.gz IOIKBPMBNANKLD-LBPRGKRZSA-N 0 0 294.424 1.523 10 70 CDIERN CS[C@@H](C)CNC(=O)N[C@H]1CCCn2ncnc21 ZINC000159542753 364230965 /nfs/dbraw/zinc/23/09/65/364230965.db2.gz XMRUNOAGIBARJI-IUCAKERBSA-N 0 0 269.374 1.164 10 70 CDIERN Cc1ccc(CC(=O)N2CCS(=O)(=O)C(C)(C)C2)cc1 ZINC000159922321 364280677 /nfs/dbraw/zinc/28/06/77/364280677.db2.gz UFRONBCZVGFYNN-UHFFFAOYSA-N 0 0 295.404 1.573 10 70 CDIERN COc1cccc(Cl)c1CC(=O)N[C@H]1CCN(C)C1=O ZINC000160103130 364307049 /nfs/dbraw/zinc/30/70/49/364307049.db2.gz QSVGEGJTZNSKNP-NSHDSACASA-N 0 0 296.754 1.238 10 70 CDIERN Cc1nn(C)c(=O)c(C(=O)NCCC2=CCCC2)c1C ZINC000160136152 364310376 /nfs/dbraw/zinc/31/03/76/364310376.db2.gz BCOVJHLVISCVPF-UHFFFAOYSA-N 0 0 275.352 1.627 10 70 CDIERN CC(C)[C@@H](O)Cc1nc(CC(=O)Nc2ccccc2)no1 ZINC000160998135 364437015 /nfs/dbraw/zinc/43/70/15/364437015.db2.gz PBMRHKGLJAKSQH-LBPRGKRZSA-N 0 0 289.335 1.810 10 70 CDIERN CC(C)C[C@H](CO)NC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000161075190 364442631 /nfs/dbraw/zinc/44/26/31/364442631.db2.gz FZOQIQLDUPADSW-GHMZBOCLSA-N 0 0 265.357 1.353 10 70 CDIERN Cc1cc(C[C@H](C)NC(=O)CCc2cnn(C)c2)[nH]n1 ZINC000161140529 364452749 /nfs/dbraw/zinc/45/27/49/364452749.db2.gz BUFYANNMXODREZ-JTQLQIEISA-N 0 0 275.356 1.132 10 70 CDIERN C[C@@H](O)CCNC(=O)c1c[nH]nc1-c1c(F)cccc1F ZINC000161157604 364456507 /nfs/dbraw/zinc/45/65/07/364456507.db2.gz SRMPPLJQAWZXTP-MRVPVSSYSA-N 0 0 295.289 1.856 10 70 CDIERN COC[C@H](O)CCNC(=O)C/C=C/c1ccc(F)cc1 ZINC000161250740 364468700 /nfs/dbraw/zinc/46/87/00/364468700.db2.gz LYTPQSKLHSFUDQ-BAABZTOOSA-N 0 0 281.327 1.743 10 70 CDIERN C[C@@H](CO)NC(=O)Nc1ccnn1Cc1ccccc1F ZINC000160518610 370175372 /nfs/dbraw/zinc/17/53/72/370175372.db2.gz RVYNJCTVTVHAKZ-JTQLQIEISA-N 0 0 292.314 1.573 10 70 CDIERN CN(CC(=O)NC1CCCCC1)Cc1cccnc1 ZINC000161284753 377552549 /nfs/dbraw/zinc/55/25/49/377552549.db2.gz NVKNNPCSNSZFLD-UHFFFAOYSA-N 0 0 261.369 1.962 10 70 CDIERN C[C@H](NC(=O)N[C@@H]1CCc2n[nH]cc2C1)[C@H]1CCCO1 ZINC000159793329 139905271 /nfs/dbraw/zinc/90/52/71/139905271.db2.gz NBBMPVPRHGUFEM-UFGOTCBOSA-N 0 0 278.356 1.134 10 70 CDIERN CC(C)[C@](C)(O)CN1CCn2c(nnc2C(F)(F)F)C1 ZINC000160204060 277987264 /nfs/dbraw/zinc/98/72/64/277987264.db2.gz JZZHPGJQSIDBJP-LLVKDONJSA-N 0 0 292.305 1.520 10 70 CDIERN CC(C)(C)CCC(=O)NC1CCC(C(=O)NC(N)=O)CC1 ZINC000160860462 278310586 /nfs/dbraw/zinc/31/05/86/278310586.db2.gz PFSHWKBKCMXYOO-UHFFFAOYSA-N 0 0 297.399 1.683 10 70 CDIERN C[C@H]1CN(c2nccc3occc32)CCS1(=O)=O ZINC000160730851 278447477 /nfs/dbraw/zinc/44/74/77/278447477.db2.gz PVMHPQWTZZETSS-VIFPVBQESA-N 0 0 266.322 1.451 10 70 CDIERN Cc1nc(NC(=O)c2ccc3c(c2)N(C)CC3)n(C)n1 ZINC000159808711 281969060 /nfs/dbraw/zinc/96/90/60/281969060.db2.gz RYYLSMGTYMUCHO-UHFFFAOYSA-N 0 0 271.324 1.368 10 70 CDIERN Cc1cc(OCC(=O)N(CC(F)(F)F)C(C)C)nn1C ZINC000159780907 292768682 /nfs/dbraw/zinc/76/86/82/292768682.db2.gz XFOAVDGJVVDOTB-UHFFFAOYSA-N 0 0 293.289 1.907 10 70 CDIERN CC(C)OCCOC[C@H](O)CN(C)C(=O)[C@@H]1CC1(C)C ZINC000160083234 292776960 /nfs/dbraw/zinc/77/69/60/292776960.db2.gz UNMGJIPJVMBIBV-OLZOCXBDSA-N 0 0 287.400 1.293 10 70 CDIERN O=C(NC1(CO)CC1)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000160290764 292782419 /nfs/dbraw/zinc/78/24/19/292782419.db2.gz ROTFZMBUIYBCGY-AWEZNQCLSA-N 0 0 291.347 1.499 10 70 CDIERN CCOC(CN1CCOC[C@@H]1c1nc(C)no1)OCC ZINC000161130542 521631116 /nfs/dbraw/zinc/63/11/16/521631116.db2.gz LUOANCCDWTZWLO-LLVKDONJSA-N 0 0 285.344 1.150 10 70 CDIERN COc1ccc(C)cc1CC(=O)N[C@H](C)[C@H](C)CO ZINC000160367789 523804065 /nfs/dbraw/zinc/80/40/65/523804065.db2.gz GAFFRTRRKVOMJY-VXGBXAGGSA-N 0 0 265.353 1.679 10 70 CDIERN Cc1conc1NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccccc1 ZINC000160752292 534758078 /nfs/dbraw/zinc/75/80/78/534758078.db2.gz QFXUEZUCCGIUJR-NWDGAFQWSA-N 0 0 285.303 1.594 10 70 CDIERN CSc1nsc(NC(=O)[C@@H]2CC[C@@H](C)O2)n1 ZINC000159603993 526233534 /nfs/dbraw/zinc/23/35/34/526233534.db2.gz PXGNUFFVPRRNQJ-RITPCOANSA-N 0 0 259.356 1.766 10 70 CDIERN CSCCCCC(=O)NC[C@@H](C)N1CCOCC1 ZINC000159648402 361760877 /nfs/dbraw/zinc/76/08/77/361760877.db2.gz ULVUQSQFPHOPND-GFCCVEGCSA-N 0 0 274.430 1.357 10 70 CDIERN CCO[C@H](CCNC(=O)N1CCC[C@@H]1C(=O)NC)C(C)C ZINC000159378893 539114132 /nfs/dbraw/zinc/11/41/32/539114132.db2.gz YMJOPSCKLBDKAN-CHWSQXEVSA-N 0 0 299.415 1.358 10 70 CDIERN O=S(=O)(C[C@@H]1Cc2ccccc2O1)C1CCOCC1 ZINC000160026214 362005249 /nfs/dbraw/zinc/00/52/49/362005249.db2.gz OGVBUQPLKUJPAX-LBPRGKRZSA-N 0 0 282.361 1.584 10 70 CDIERN COc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000160139964 362037380 /nfs/dbraw/zinc/03/73/80/362037380.db2.gz LKXGWOJUTOWWRS-BETUJISGSA-N 0 0 260.337 1.662 10 70 CDIERN CCCC[C@H](CCC)NC(=O)C1CC2(C1)NC(=O)NC2=O ZINC000160037548 362008162 /nfs/dbraw/zinc/00/81/62/362008162.db2.gz ODFLBRKWNQBGCK-VTWZXRTESA-N 0 0 295.383 1.450 10 70 CDIERN CCn1nc(C)cc1C(=O)NCCCC(=O)NC1CC1 ZINC000160361326 346005074 /nfs/dbraw/zinc/00/50/74/346005074.db2.gz ALLKGRAGJOHLQV-UHFFFAOYSA-N 0 0 278.356 1.000 10 70 CDIERN CC(C)Oc1cncc(C(=O)NCC(=O)N2CCCC2)c1 ZINC000161426377 535068179 /nfs/dbraw/zinc/06/81/79/535068179.db2.gz RHEMXPQPZLKLMT-UHFFFAOYSA-N 0 0 291.351 1.221 10 70 CDIERN CCCCO[C@@H](C)C(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000159953233 282848475 /nfs/dbraw/zinc/84/84/75/282848475.db2.gz CMXOSPPYOZUOMY-NSHDSACASA-N 0 0 291.413 1.227 10 70 CDIERN O=C([C@@H](O)c1ccccc1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000159971893 188449477 /nfs/dbraw/zinc/44/94/77/188449477.db2.gz DUZAGVFKAFZVOP-KFWWJZLASA-N 0 0 275.348 1.890 10 70 CDIERN CCc1cc(C)c(C(=O)NC[C@@H](C)C(=O)OC)o1 ZINC000159788498 363307319 /nfs/dbraw/zinc/30/73/19/363307319.db2.gz XHFNGSGOPLWVQD-SECBINFHSA-N 0 0 253.298 1.689 10 70 CDIERN C[C@@H]1CC(NC(=O)Nc2ccc(=O)n(C)c2)C[C@@H](C)O1 ZINC000159791877 363319105 /nfs/dbraw/zinc/31/91/05/363319105.db2.gz ZQHGECFQJWMBJF-NXEZZACHSA-N 0 0 279.340 1.463 10 70 CDIERN Cc1cc(C[C@H](C)NC(=O)N(C)CC2CCOCC2)[nH]n1 ZINC000160120450 363676350 /nfs/dbraw/zinc/67/63/50/363676350.db2.gz ZPAHBUGVGJLFKY-NSHDSACASA-N 0 0 294.399 1.717 10 70 CDIERN CSC[C@@](C)(O)CNC(=O)NCCCC1CC1 ZINC000160402807 363848722 /nfs/dbraw/zinc/84/87/22/363848722.db2.gz SFPZRYRDEQCWRQ-LBPRGKRZSA-N 0 0 260.403 1.590 10 70 CDIERN CC[C@H](C)C[N@H+](CC)[C@@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000160549974 363997614 /nfs/dbraw/zinc/99/76/14/363997614.db2.gz WHQBGPZVLFVBNC-STQMWFEESA-N 0 0 297.443 1.480 10 70 CDIERN O=C(Nc1cn[nH]c1)[C@H]1CCC[C@@H]1C(=O)Nc1cn[nH]c1 ZINC000159830871 364271248 /nfs/dbraw/zinc/27/12/48/364271248.db2.gz NYHGPXSNZXVKQV-QWRGUYRKSA-N 0 0 288.311 1.126 10 70 CDIERN CCc1nn(C)c(Cl)c1C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000160274390 364327274 /nfs/dbraw/zinc/32/72/74/364327274.db2.gz QGVKJSBJXNEDLZ-WCBMZHEXSA-N 0 0 285.775 1.933 10 70 CDIERN CC(C)[C@H](O)CC(=O)Nc1cnn(CC(F)(F)F)c1 ZINC000160413927 364348867 /nfs/dbraw/zinc/34/88/67/364348867.db2.gz HPUCWGPSDCFQAZ-SECBINFHSA-N 0 0 279.262 1.791 10 70 CDIERN Cc1nccc(N[C@@H](Cc2ccccc2)C(=O)N(C)C)n1 ZINC000161336231 364479065 /nfs/dbraw/zinc/47/90/65/364479065.db2.gz PLVFLKISSNJVRQ-AWEZNQCLSA-N 0 0 284.363 1.896 10 70 CDIERN CCC[C@@H](NC(=O)[C@H](C)n1cncn1)C(=O)OC(C)(C)C ZINC000161352586 364480638 /nfs/dbraw/zinc/48/06/38/364480638.db2.gz UGIMVEXCKDOPIV-WDEREUQCSA-N 0 0 296.371 1.466 10 70 CDIERN CS[C@H](C)CC(=O)N1C[C@H](C(N)=O)CC[C@@H]1C ZINC000160105782 375723180 /nfs/dbraw/zinc/72/31/80/375723180.db2.gz YUQIASOJLUVSQH-IVZWLZJFSA-N 0 0 258.387 1.240 10 70 CDIERN CCc1ncnc(N2CCO[C@H](c3nnc(C)[nH]3)C2)c1F ZINC000160402114 377061938 /nfs/dbraw/zinc/06/19/38/377061938.db2.gz PQBAZAFJRLXQTM-JTQLQIEISA-N 0 0 292.318 1.183 10 70 CDIERN CC(C)([NH3+])C(=O)NCc1ccccc1OC1CCC1 ZINC000161198886 377160626 /nfs/dbraw/zinc/16/06/26/377160626.db2.gz TYWQFXDSHTXCRP-UHFFFAOYSA-N 0 0 262.353 1.971 10 70 CDIERN CC(=O)N[C@@H](C(=O)Nc1cc(C2CC2)nc(C)n1)C(C)C ZINC000159916982 377333790 /nfs/dbraw/zinc/33/37/90/377333790.db2.gz QJDUUMJZYJRTRY-CQSZACIVSA-N 0 0 290.367 1.762 10 70 CDIERN CCSc1cccc(C(=O)NCCNC(C)=O)c1 ZINC000161249619 377522975 /nfs/dbraw/zinc/52/29/75/377522975.db2.gz XTWRXFJFRYKVCB-UHFFFAOYSA-N 0 0 266.366 1.665 10 70 CDIERN C[C@H](NC(N)=O)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000159986091 390977374 /nfs/dbraw/zinc/97/73/74/390977374.db2.gz LYSRAVOBMBRSSJ-GXSJLCMTSA-N 0 0 291.351 1.462 10 70 CDIERN Cc1ccc([S@](=O)C[C@H](C)CS(C)(=O)=O)nc1 ZINC000161068680 139911475 /nfs/dbraw/zinc/91/14/75/139911475.db2.gz FRJFINMJPZTSBW-QFYYESIMSA-N 0 0 275.395 1.178 10 70 CDIERN CC[C@H](NS(=O)(=O)CCCOC)c1nccs1 ZINC000159927428 292773635 /nfs/dbraw/zinc/77/36/35/292773635.db2.gz CAFOAXANKVCUIS-VIFPVBQESA-N 0 0 278.399 1.550 10 70 CDIERN CCNc1ncc(C(=O)NCC2(CCO)CCC2)s1 ZINC000160121168 292777880 /nfs/dbraw/zinc/77/78/80/292777880.db2.gz UFMHRAHQBPBYOJ-UHFFFAOYSA-N 0 0 283.397 1.857 10 70 CDIERN O=C(NC1(CO)CC1)c1cnc(Cc2ccccc2)s1 ZINC000160342402 292784421 /nfs/dbraw/zinc/78/44/21/292784421.db2.gz ONHSRTBMJMUSBG-UHFFFAOYSA-N 0 0 288.372 1.989 10 70 CDIERN C[C@@H](C[S@](=O)c1ccccc1F)CS(C)(=O)=O ZINC000161044741 292798598 /nfs/dbraw/zinc/79/85/98/292798598.db2.gz RHSCVKLGONEPBB-XXFAHNHDSA-N 0 0 278.370 1.614 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)NC[C@H](C)SC ZINC000161156236 292801110 /nfs/dbraw/zinc/80/11/10/292801110.db2.gz NJVFWQCJQQHLBJ-ZETCQYMHSA-N 0 0 285.369 1.352 10 70 CDIERN CCc1oc(C(=O)N(C)CC(=O)NC(C)C)cc1C ZINC000159485580 522968875 /nfs/dbraw/zinc/96/88/75/522968875.db2.gz CLYPNGMIBFIBHN-UHFFFAOYSA-N 0 0 266.341 1.747 10 70 CDIERN CC(C)[C@H](O)CC(=O)Nc1ccc(NC(=O)C2CC2)nc1 ZINC000159554094 527722026 /nfs/dbraw/zinc/72/20/26/527722026.db2.gz YSWHIHVIVSRSNN-GFCCVEGCSA-N 0 0 291.351 1.776 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)NCCC(C)C ZINC000159946657 361964099 /nfs/dbraw/zinc/96/40/99/361964099.db2.gz CASMJANEPYKSNL-UHFFFAOYSA-N 0 0 267.329 1.646 10 70 CDIERN CC(C)(C)n1nc(C(=O)NC2(CO)CC2)cc1C1CC1 ZINC000160261896 539061772 /nfs/dbraw/zinc/06/17/72/539061772.db2.gz FGMUVIBGMCKTHP-UHFFFAOYSA-N 0 0 277.368 1.770 10 70 CDIERN Cc1cc(C(=O)NC2(CO)CC2)c2cnn(C(C)C)c2n1 ZINC000160437442 342374238 /nfs/dbraw/zinc/37/42/38/342374238.db2.gz FQXGNQXSWVXIKO-UHFFFAOYSA-N 0 0 288.351 1.575 10 70 CDIERN COc1ccccc1SCC(=O)NCC[C@@H](C)O ZINC000159545677 362266389 /nfs/dbraw/zinc/26/63/89/362266389.db2.gz SHPPNDXQLORPOO-SNVBAGLBSA-N 0 0 269.366 1.674 10 70 CDIERN C[C@H](CSCc1nc(C2CC2)no1)CS(C)(=O)=O ZINC000159719699 363215155 /nfs/dbraw/zinc/21/51/55/363215155.db2.gz RVIIKXPRDLYXRG-MRVPVSSYSA-N 0 0 290.410 1.861 10 70 CDIERN Cc1ccc(C(=O)CCN2CCS(=O)(=O)[C@@H](C)C2)cc1 ZINC000159757969 188440237 /nfs/dbraw/zinc/44/02/37/188440237.db2.gz GNTPWPCACNPCGC-ZDUSSCGKSA-N 0 0 295.404 1.687 10 70 CDIERN Cc1cc2ncc(C(=O)N[C@@H](C)[C@@H](C)CO)c(C)n2n1 ZINC000160277757 188463947 /nfs/dbraw/zinc/46/39/47/188463947.db2.gz RQGPDYVVSSTQHO-WPRPVWTQSA-N 0 0 276.340 1.093 10 70 CDIERN Cc1nc(NC(=O)CCN2CCCC2=O)cc(C2CC2)n1 ZINC000159945061 538846932 /nfs/dbraw/zinc/84/69/32/538846932.db2.gz PLUITELDDUNZKT-UHFFFAOYSA-N 0 0 288.351 1.613 10 70 CDIERN CNC(=O)C1CCN(c2nc(C)nc(OC)c2C)CC1 ZINC000159378058 283287249 /nfs/dbraw/zinc/28/72/49/283287249.db2.gz VMRGNANVAHBHRE-UHFFFAOYSA-N 0 0 278.356 1.064 10 70 CDIERN CC(C)(C)CCS(=O)(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000160216501 363760886 /nfs/dbraw/zinc/76/08/86/363760886.db2.gz AUNGGDBTTFFDJS-GHMZBOCLSA-N 0 0 290.429 1.386 10 70 CDIERN CN(C)C(=O)CNC(=O)C[C@@H]1CCCC(C)(C)C1 ZINC000160269676 363794687 /nfs/dbraw/zinc/79/46/87/363794687.db2.gz LCRMQXWACGMWQB-NSHDSACASA-N 0 0 254.374 1.797 10 70 CDIERN Cc1cccc2[nH]c(CNC(=O)c3nccnc3N)nc21 ZINC000160543276 363988615 /nfs/dbraw/zinc/98/86/15/363988615.db2.gz UHNKJAGPLTYKHD-UHFFFAOYSA-N 0 0 282.307 1.174 10 70 CDIERN O=C(c1ccc(CO)cc1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000160369593 364089155 /nfs/dbraw/zinc/08/91/55/364089155.db2.gz OKWKCBVCCBHFGJ-RDJZCZTQSA-N 0 0 289.375 1.946 10 70 CDIERN CC(C)CC(=O)N1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000159448992 364208476 /nfs/dbraw/zinc/20/84/76/364208476.db2.gz NKCNHXCDNGHRSH-STQMWFEESA-N 0 0 281.352 1.977 10 70 CDIERN Cc1cc(OCC(=O)NC(C)(C)C(N)=O)cc(C)c1Cl ZINC000160474182 364357465 /nfs/dbraw/zinc/35/74/65/364357465.db2.gz PSBMDTFYLCIPKC-UHFFFAOYSA-N 0 0 298.770 1.716 10 70 CDIERN COc1ccccc1N1CC[C@H](NC(=O)[C@H](C)OC)C1 ZINC000161042785 364441975 /nfs/dbraw/zinc/44/19/75/364441975.db2.gz INVIGNWJHQIDKJ-RYUDHWBXSA-N 0 0 278.352 1.425 10 70 CDIERN CNc1snc(C)c1C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000161228331 364466109 /nfs/dbraw/zinc/46/61/09/364466109.db2.gz BYHRQQPKBJBRHX-GXSJLCMTSA-N 0 0 296.440 1.952 10 70 CDIERN Cn1cnc2cc(C(=O)NC[C@@]3(C)CCCO3)cnc21 ZINC000160766608 374471963 /nfs/dbraw/zinc/47/19/63/374471963.db2.gz XGIGMVDCOSTLHL-CQSZACIVSA-N 0 0 274.324 1.267 10 70 CDIERN CC[C@H]1CCCC[C@H]1N(C)C(=O)CCN1C(=O)CCC1=O ZINC000161164422 264272889 /nfs/dbraw/zinc/27/28/89/264272889.db2.gz PQVMYVONIJZVGX-QWHCGFSZSA-N 0 0 294.395 1.953 10 70 CDIERN COCc1csc(NC(=O)N2CCC[C@H]([C@@H](C)O)C2)n1 ZINC000159410904 292758159 /nfs/dbraw/zinc/75/81/59/292758159.db2.gz AWAPGJGERGDKKW-ZJUUUORDSA-N 0 0 299.396 1.914 10 70 CDIERN CC(C)C(=O)Nc1ccc(C(=O)NC2(CO)CC2)cc1 ZINC000160285992 292782602 /nfs/dbraw/zinc/78/26/02/292782602.db2.gz BZNSTEMVLULOEE-UHFFFAOYSA-N 0 0 276.336 1.536 10 70 CDIERN Cc1nc(-c2ccco2)ccc1C(=O)NC1(CO)CC1 ZINC000160298637 292783195 /nfs/dbraw/zinc/78/31/95/292783195.db2.gz OYKJVWZCOCUIEY-UHFFFAOYSA-N 0 0 272.304 1.905 10 70 CDIERN O=C(Cc1cc(F)c(F)cc1F)NC1(CO)CC1 ZINC000160346224 292784279 /nfs/dbraw/zinc/78/42/79/292784279.db2.gz CGJWOEPLHSPRJN-UHFFFAOYSA-N 0 0 259.227 1.288 10 70 CDIERN CC[C@@H](C)CS(=O)(=O)C[C@H](C)CS(C)(=O)=O ZINC000160395437 292786546 /nfs/dbraw/zinc/78/65/46/292786546.db2.gz ZKJCDUIPWDUALD-NXEZZACHSA-N 0 0 270.416 1.128 10 70 CDIERN C[C@@H](CO)N(C)C(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000160456955 292787928 /nfs/dbraw/zinc/78/79/28/292787928.db2.gz YZGHZEYTMYTLEV-XRNSZHNASA-N 0 0 269.291 1.908 10 70 CDIERN CC(=O)Nc1ccc(C)c(NC(=O)NC2(CO)CC2)c1 ZINC000160844346 292795504 /nfs/dbraw/zinc/79/55/04/292795504.db2.gz ZCCVQOZHWVKPRK-UHFFFAOYSA-N 0 0 277.324 1.600 10 70 CDIERN CCCC(O)(CCC)CC(=O)NC[C@@H]1CN(C)CCO1 ZINC000161031936 519885405 /nfs/dbraw/zinc/88/54/05/519885405.db2.gz DHHLNEQMCUPSSH-CYBMUJFWSA-N 0 0 286.416 1.155 10 70 CDIERN CCN(CC1CC1)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000161246524 520948600 /nfs/dbraw/zinc/94/86/00/520948600.db2.gz ZOVJWAYRFSCEML-NSHDSACASA-N 0 0 263.345 1.034 10 70 CDIERN Cc1ccn(-c2ccccc2NC(=O)[C@@H]2CC(=O)N(C)C2)n1 ZINC000161411308 525566112 /nfs/dbraw/zinc/56/61/12/525566112.db2.gz ZXKZCFBAOMFSFI-GFCCVEGCSA-N 0 0 298.346 1.598 10 70 CDIERN O=C([C@@H](O)c1ccccc1)N1CC[C@H](Oc2cccnc2)C1 ZINC000161497623 526452776 /nfs/dbraw/zinc/45/27/76/526452776.db2.gz OOWHRTSQKWPSRB-HOTGVXAUSA-N 0 0 298.342 1.795 10 70 CDIERN CCCCSCCC(=O)NC[C@@H](C)N1CCOCC1 ZINC000159643211 361759588 /nfs/dbraw/zinc/75/95/88/361759588.db2.gz HHIZCVLRPWTRON-CYBMUJFWSA-N 0 0 288.457 1.747 10 70 CDIERN COCCNc1ccccc1CNC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000159892191 361899594 /nfs/dbraw/zinc/89/95/94/361899594.db2.gz TYYVFDJCWDJIGM-DOMZBBRYSA-N 0 0 292.379 1.929 10 70 CDIERN COCC(C)(C)C(=O)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000159973369 361983234 /nfs/dbraw/zinc/98/32/34/361983234.db2.gz FGPARVCYRQKRLP-AWEZNQCLSA-N 0 0 293.363 1.965 10 70 CDIERN Cc1nc(CNC(=O)Nc2ccn(CCC(C)C)n2)no1 ZINC000159986806 361990319 /nfs/dbraw/zinc/99/03/19/361990319.db2.gz NNKIODWSCAPEON-UHFFFAOYSA-N 0 0 292.343 1.942 10 70 CDIERN CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCNC(=O)O2 ZINC000217875084 539060720 /nfs/dbraw/zinc/06/07/20/539060720.db2.gz JBFCZIGPURZWAI-GFCCVEGCSA-N 0 0 256.302 1.496 10 70 CDIERN Cc1ccc(C(=O)N2CCC(OCCCO)CC2)o1 ZINC000161283756 539117435 /nfs/dbraw/zinc/11/74/35/539117435.db2.gz TZTGOUVEOUPZFZ-UHFFFAOYSA-N 0 0 267.325 1.592 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)N1CC[C@H](CC)C1 ZINC000161016988 342381848 /nfs/dbraw/zinc/38/18/48/342381848.db2.gz GTXHYDWWFMQVKP-JTQLQIEISA-N 0 0 279.340 1.742 10 70 CDIERN CCOc1ncccc1NC(=O)NC1(CO)CC1 ZINC000160803661 362176717 /nfs/dbraw/zinc/17/67/17/362176717.db2.gz RDEYXXGEEWKWHO-UHFFFAOYSA-N 0 0 251.286 1.127 10 70 CDIERN Nc1ccc2c(c1)CCC[C@H]2NS(=O)(=O)CC1CC1 ZINC000159447113 362322523 /nfs/dbraw/zinc/32/25/23/362322523.db2.gz AVEDSUMIAXJIKY-CQSZACIVSA-N 0 0 280.393 1.976 10 70 CDIERN O=C(NC1(CO)CC1)c1cccc(OC(F)(F)F)c1 ZINC000160344665 237173973 /nfs/dbraw/zinc/17/39/73/237173973.db2.gz BQPKPZAOJRJSMQ-UHFFFAOYSA-N 0 0 275.226 1.840 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000160139988 363686132 /nfs/dbraw/zinc/68/61/32/363686132.db2.gz ORCYSZRPEHRZOJ-NXEZZACHSA-N 0 0 293.367 1.988 10 70 CDIERN CCCN(CC(=O)NC)C(=O)Cc1cccc(CC)c1 ZINC000160298688 363804393 /nfs/dbraw/zinc/80/43/93/363804393.db2.gz RYEAHKXTCJLVPN-UHFFFAOYSA-N 0 0 276.380 1.776 10 70 CDIERN COc1cccc([C@@H](C)CC(=O)NC2(CO)CC2)c1 ZINC000160303112 363817664 /nfs/dbraw/zinc/81/76/64/363817664.db2.gz RVKXXJOZAJWDHG-NSHDSACASA-N 0 0 263.337 1.830 10 70 CDIERN COc1nc(C)nc(NC[C@@](C)(O)CSC)c1C ZINC000159402434 364200438 /nfs/dbraw/zinc/20/04/38/364200438.db2.gz REEAMLUFUGRFIV-GFCCVEGCSA-N 0 0 271.386 1.628 10 70 CDIERN COC(=O)CCCCNC(=O)c1ccc(=O)[nH]c1C ZINC000160752086 364405810 /nfs/dbraw/zinc/40/58/10/364405810.db2.gz NIUYYPPMIFFZAV-UHFFFAOYSA-N 0 0 266.297 1.169 10 70 CDIERN C/C=C/c1ccc(OCC(=O)N(C)[C@H](C)CO)c(OC)c1 ZINC000160567700 364375766 /nfs/dbraw/zinc/37/57/66/364375766.db2.gz GANOIFIQBPLYMV-BTDICHCPSA-N 0 0 293.363 1.946 10 70 CDIERN C[C@@H](CO)N(C)C(=O)Nc1ccc(-c2ncn(C)n2)cc1 ZINC000160572237 364376269 /nfs/dbraw/zinc/37/62/69/364376269.db2.gz HKQKPDXJWSWLRL-JTQLQIEISA-N 0 0 289.339 1.327 10 70 CDIERN CC(C)COc1cncc(N2CCS(=O)(=O)[C@@H](C)C2)n1 ZINC000160734263 364402920 /nfs/dbraw/zinc/40/29/20/364402920.db2.gz XIDWBBFEDHIXQY-NSHDSACASA-N 0 0 299.396 1.135 10 70 CDIERN Cc1c(NC(=O)C(=O)N[C@H]2C[C@H]2C)cnn1-c1ccccc1 ZINC000160999248 364437211 /nfs/dbraw/zinc/43/72/11/364437211.db2.gz HCSXZKCBZFVBQJ-MFKMUULPSA-N 0 0 298.346 1.644 10 70 CDIERN CCc1cc(=O)[nH]c(CN2CCO[C@@H]3CCCC[C@@H]32)n1 ZINC000161007240 364437314 /nfs/dbraw/zinc/43/73/14/364437314.db2.gz JZNKPCMNIHKWMQ-QWHCGFSZSA-N 0 0 277.368 1.888 10 70 CDIERN Cc1cc(C[C@@H](C)NC(=O)c2cnc(C)cn2)[nH]n1 ZINC000161068211 364443213 /nfs/dbraw/zinc/44/32/13/364443213.db2.gz DTDZLWRJIMEIMQ-MRVPVSSYSA-N 0 0 259.313 1.178 10 70 CDIERN CCc1nn(C)c(Cl)c1C(=O)N[C@@H](C)Cn1cncn1 ZINC000160836088 364417259 /nfs/dbraw/zinc/41/72/59/364417259.db2.gz KZOWJYAEXBXALC-QMMMGPOBSA-N 0 0 296.762 1.046 10 70 CDIERN Cc1cc(C[C@@H](C)NC(=O)Cc2cc(C)[nH]n2)[nH]n1 ZINC000161311376 364476516 /nfs/dbraw/zinc/47/65/16/364476516.db2.gz BSINOXHPIJSCAW-MRVPVSSYSA-N 0 0 261.329 1.040 10 70 CDIERN CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)Nc1ccncc1 ZINC000160043455 375439838 /nfs/dbraw/zinc/43/98/38/375439838.db2.gz ILLCPZQDENVRRH-JMSVASOKSA-N 0 0 275.352 1.553 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)NC[C@H]1CC=CCC1 ZINC000160322525 377056759 /nfs/dbraw/zinc/05/67/59/377056759.db2.gz UQQMKSIKFGHNGT-NSHDSACASA-N 0 0 291.351 1.956 10 70 CDIERN CCO[C@@H](C)c1nccn1C[C@H](C)CS(C)(=O)=O ZINC000161458408 377650489 /nfs/dbraw/zinc/65/04/89/377650489.db2.gz OKTFYFJMNOZDPT-QWRGUYRKSA-N 0 0 274.386 1.661 10 70 CDIERN Cc1csc(CNC(=O)N(C[C@@H](C)O)C(C)C)n1 ZINC000159630947 424144212 /nfs/dbraw/zinc/14/42/12/424144212.db2.gz KBDJWFYJTIABFI-SNVBAGLBSA-N 0 0 271.386 1.752 10 70 CDIERN O=C(CC[C@H]1Cc2ccccc2NC1=O)NC1(CO)CC1 ZINC000160220604 292780686 /nfs/dbraw/zinc/78/06/86/292780686.db2.gz SGBHJCMBZDEVFP-LBPRGKRZSA-N 0 0 288.347 1.219 10 70 CDIERN Cc1ncc(Cl)c(C(=O)N[C@@H](CCO)C(C)C)n1 ZINC000160574091 292790958 /nfs/dbraw/zinc/79/09/58/292790958.db2.gz WOHGVYOCAIXMQI-JTQLQIEISA-N 0 0 271.748 1.575 10 70 CDIERN Cc1ccc([S@](=O)C[C@H](C)CS(C)(=O)=O)cc1 ZINC000161034615 292798522 /nfs/dbraw/zinc/79/85/22/292798522.db2.gz ZTLIHJANNFHZIV-ZBEGNZNMSA-N 0 0 274.407 1.783 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)NCCn1cccc1 ZINC000161069374 292799270 /nfs/dbraw/zinc/79/92/70/292799270.db2.gz HMODSWGPFQJMEF-UHFFFAOYSA-N 0 0 290.323 1.102 10 70 CDIERN CC(C)n1cc(OCc2nnc3n2CCCC3)cn1 ZINC000217323350 329434436 /nfs/dbraw/zinc/43/44/36/329434436.db2.gz GFJNDAJGBKUCJN-UHFFFAOYSA-N 0 0 261.329 1.971 10 70 CDIERN C[C@H]1CN(S(=O)(=O)NCC2(C3CC3)CC2)C[C@H](C)O1 ZINC000160188923 533965501 /nfs/dbraw/zinc/96/55/01/533965501.db2.gz ONMKWFBOVGADDV-QWRGUYRKSA-N 0 0 288.413 1.120 10 70 CDIERN COc1cccc(Cl)c1CC(=O)N[C@@H]1CCOC1 ZINC000160792840 526094646 /nfs/dbraw/zinc/09/46/46/526094646.db2.gz ZLNFUDLGFOXDBH-SECBINFHSA-N 0 0 269.728 1.796 10 70 CDIERN O=C(N1CC[C@H](Oc2cccnc2)C1)C1(O)CCCCC1 ZINC000161361237 527446441 /nfs/dbraw/zinc/44/64/41/527446441.db2.gz VHHOQDKCBVEJAR-AWEZNQCLSA-N 0 0 290.363 1.757 10 70 CDIERN C[C@@H](NC(=O)Cn1cccn1)c1ccccc1-n1cccn1 ZINC000159622149 361756998 /nfs/dbraw/zinc/75/69/98/361756998.db2.gz FMXNCIMFHBYPEL-CYBMUJFWSA-N 0 0 295.346 1.946 10 70 CDIERN Cc1cc(S(=O)(=O)NC[C@H](C)CO)c(Cl)cc1F ZINC000159701628 361799411 /nfs/dbraw/zinc/79/94/11/361799411.db2.gz IEHIGZXCTJSCGW-ZETCQYMHSA-N 0 0 295.763 1.694 10 70 CDIERN CCn1nc(C)cc1C(=O)N(C)Cc1cccn1C ZINC000160556543 539116053 /nfs/dbraw/zinc/11/60/53/539116053.db2.gz XQCZVXNMLRSLKX-UHFFFAOYSA-N 0 0 260.341 1.822 10 70 CDIERN CCNC(=O)c1ccc(NC(=O)NC2(CO)CC2)c(C)c1 ZINC000161083717 539117319 /nfs/dbraw/zinc/11/73/19/539117319.db2.gz XXUZYQBJFBMCIS-UHFFFAOYSA-N 0 0 291.351 1.391 10 70 CDIERN Cc1cc(C[C@@H](C)NC(=O)[C@H](C)OCC2CC2)[nH]n1 ZINC000161403163 539117713 /nfs/dbraw/zinc/11/77/13/539117713.db2.gz UZKJLPDJVARBDB-KOLCDFICSA-N 0 0 265.357 1.580 10 70 CDIERN CCCCN(CCCC)S(=O)(=O)N1CCC[C@H]1CO ZINC000159840637 282778581 /nfs/dbraw/zinc/77/85/81/282778581.db2.gz GTNBDWLUJJVNOP-ZDUSSCGKSA-N 0 0 292.445 1.590 10 70 CDIERN COC(=O)CCCCNC(=O)CCc1cnn(C)c1C ZINC000160735991 290987689 /nfs/dbraw/zinc/98/76/89/290987689.db2.gz VLHOXFVFMVJPFY-UHFFFAOYSA-N 0 0 281.356 1.121 10 70 CDIERN Cn1nccc1CNC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000159759366 188440597 /nfs/dbraw/zinc/44/05/97/188440597.db2.gz GZNVLWRJHVPBOG-IUODEOHRSA-N 0 0 292.383 1.257 10 70 CDIERN CN(C(=O)c1ncn(-c2ccccc2)n1)[C@H]1CCOC1 ZINC000160174563 188458337 /nfs/dbraw/zinc/45/83/37/188458337.db2.gz QAMUYRNOVXHANN-LBPRGKRZSA-N 0 0 272.308 1.128 10 70 CDIERN C[C@@H]1CN(S(=O)(=O)NCC2(C3CC3)CC2)C[C@@H](C)O1 ZINC000160189043 237169841 /nfs/dbraw/zinc/16/98/41/237169841.db2.gz ONMKWFBOVGADDV-GHMZBOCLSA-N 0 0 288.413 1.120 10 70 CDIERN CC1(C)CN(C(=O)CCC2CCCC2)CCS1(=O)=O ZINC000160133338 363682989 /nfs/dbraw/zinc/68/29/89/363682989.db2.gz PISSKIBQMMUWSF-UHFFFAOYSA-N 0 0 287.425 1.992 10 70 CDIERN O=C(CNC(=O)c1ccsc1)NCC1(CCO)CCC1 ZINC000160172573 363713821 /nfs/dbraw/zinc/71/38/21/363713821.db2.gz BZVSDRUTPGMWQO-UHFFFAOYSA-N 0 0 296.392 1.147 10 70 CDIERN CN(CC(=O)NC1CC1)Cc1nnc(-c2ccccc2)n1C ZINC000160707955 360824061 /nfs/dbraw/zinc/82/40/61/360824061.db2.gz ZQPVVDPEKNGHKA-UHFFFAOYSA-N 0 0 299.378 1.193 10 70 CDIERN CSc1ccc(NC(=O)c2nc(C)c(C)[nH]c2=O)nc1 ZINC000160359205 363832801 /nfs/dbraw/zinc/83/28/01/363832801.db2.gz BXTOQNAUTJAXTM-UHFFFAOYSA-N 0 0 290.348 1.756 10 70 CDIERN O=C(NC1(CO)CC1)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000160307284 363818049 /nfs/dbraw/zinc/81/80/49/363818049.db2.gz GGEFOWUKQDNXFA-UHFFFAOYSA-N 0 0 291.738 1.985 10 70 CDIERN O=C(NCCC1=CCCC1)c1ccc2nncn2c1 ZINC000160257713 364326052 /nfs/dbraw/zinc/32/60/52/364326052.db2.gz GUNUMADPVLFUGW-UHFFFAOYSA-N 0 0 256.309 1.960 10 70 CDIERN Cc1[nH]c(=O)ccc1C(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000160135011 364310960 /nfs/dbraw/zinc/31/09/60/364310960.db2.gz HPICOCBJJCAMOQ-OLZOCXBDSA-N 0 0 276.336 1.879 10 70 CDIERN C[C@@H](O)C1CCN(C(=O)[C@H]2OCCc3ccccc32)CC1 ZINC000160439193 364354508 /nfs/dbraw/zinc/35/45/08/364354508.db2.gz SEHWDHODMCSZKO-WBMJQRKESA-N 0 0 289.375 1.920 10 70 CDIERN CCc1cc(=O)[nH]c(CN2CCO[C@H]3CCCC[C@@H]32)n1 ZINC000161007114 364436661 /nfs/dbraw/zinc/43/66/61/364436661.db2.gz JZNKPCMNIHKWMQ-STQMWFEESA-N 0 0 277.368 1.888 10 70 CDIERN C[C@H](c1ccco1)N(C)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000161261825 364470561 /nfs/dbraw/zinc/47/05/61/364470561.db2.gz XTNGSAOCWYRAIE-GHMZBOCLSA-N 0 0 289.339 1.589 10 70 CDIERN Cc1c(C(=O)N[C@@H]2C[C@H]2C)cnn1C1CCOCC1 ZINC000161281781 364473777 /nfs/dbraw/zinc/47/37/77/364473777.db2.gz HQEPOMOWAHHOKA-NOZJJQNGSA-N 0 0 263.341 1.681 10 70 CDIERN COC(=O)[C@H]1CN(C(=O)NC2CCCCC2)C[C@@H](C)O1 ZINC000160202729 284390309 /nfs/dbraw/zinc/39/03/09/284390309.db2.gz JPSSLJFPNWYFPF-ZYHUDNBSSA-N 0 0 284.356 1.291 10 70 CDIERN CN(C[C@@H]1CCC[C@@H]1O)C(=O)NCCCC1CC1 ZINC000161378358 377592807 /nfs/dbraw/zinc/59/28/07/377592807.db2.gz AZOFOCUXSDMSRW-STQMWFEESA-N 0 0 254.374 1.979 10 70 CDIERN CC1(C)CCC(NC(=O)C2CC3(C2)NC(=O)NC3=O)CC1 ZINC000159689755 390940842 /nfs/dbraw/zinc/94/08/42/390940842.db2.gz XXMGPPCQIMRTDV-UHFFFAOYSA-N 0 0 293.367 1.060 10 70 CDIERN C[C@@H]1CCCN(S(=O)(=O)NC2(C)CCOCC2)C1 ZINC000160987871 270241806 /nfs/dbraw/zinc/24/18/06/270241806.db2.gz VDCJKOVUBKATOG-LLVKDONJSA-N 0 0 276.402 1.122 10 70 CDIERN COC(=O)Cn1cc(CCOc2ccc(F)cc2F)nn1 ZINC000159375727 292757396 /nfs/dbraw/zinc/75/73/96/292757396.db2.gz LENRHEFSLLRDPT-UHFFFAOYSA-N 0 0 297.261 1.351 10 70 CDIERN CCCc1nc(CSC[C@H](C)CS(C)(=O)=O)no1 ZINC000159747127 292768292 /nfs/dbraw/zinc/76/82/92/292768292.db2.gz OQMFWVOYDXBMKD-VIFPVBQESA-N 0 0 292.426 1.936 10 70 CDIERN COc1cccc(SCC(=O)NC2(CO)CC2)c1 ZINC000160261023 292781992 /nfs/dbraw/zinc/78/19/92/292781992.db2.gz ZMCPTSKQXOOCDB-UHFFFAOYSA-N 0 0 267.350 1.428 10 70 CDIERN O=C(NC1(CO)CC1)c1cc(Br)cs1 ZINC000160409070 292786543 /nfs/dbraw/zinc/78/65/43/292786543.db2.gz ALADTGPWVPIQHD-UHFFFAOYSA-N 0 0 276.155 1.765 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)NCCCCSC ZINC000160681898 292793046 /nfs/dbraw/zinc/79/30/46/292793046.db2.gz KIAFSWBVFQBKIL-UHFFFAOYSA-N 0 0 299.396 1.743 10 70 CDIERN CCCC1(CNC(=O)C2CC3(C2)NC(=O)NC3=O)CCC1 ZINC000160722614 519889183 /nfs/dbraw/zinc/88/91/83/519889183.db2.gz XHYUCCZNSINLTD-UHFFFAOYSA-N 0 0 293.367 1.061 10 70 CDIERN CCc1nc(CNC(=O)[C@@H]2CCn3ccnc3C2)cs1 ZINC000161492276 522338090 /nfs/dbraw/zinc/33/80/90/522338090.db2.gz AEOARYOOGIJGCM-SNVBAGLBSA-N 0 0 290.392 1.781 10 70 CDIERN CN(Cc1cccn1C)C(=O)c1ccc(-n2cncn2)cc1 ZINC000160765262 523406391 /nfs/dbraw/zinc/40/63/91/523406391.db2.gz SOLWGZKNQXGXII-UHFFFAOYSA-N 0 0 295.346 1.878 10 70 CDIERN C[C@@H](CCO)CNC(=O)CCc1nc(C(C)(C)C)no1 ZINC000160953707 524505652 /nfs/dbraw/zinc/50/56/52/524505652.db2.gz BYIYVHQGKZZJFF-JTQLQIEISA-N 0 0 283.372 1.434 10 70 CDIERN CC(C)(C)OC(=O)N1CC[C@]2(C1)CCNC(=O)O2 ZINC000217875169 539060719 /nfs/dbraw/zinc/06/07/19/539060719.db2.gz JBFCZIGPURZWAI-LBPRGKRZSA-N 0 0 256.302 1.496 10 70 CDIERN C[C@@H]1CCCN(S(=O)(=O)NCc2ccccc2CO)C1 ZINC000159771230 539114684 /nfs/dbraw/zinc/11/46/84/539114684.db2.gz RURJAAYAAIBXKB-GFCCVEGCSA-N 0 0 298.408 1.245 10 70 CDIERN CSC1(CNC(=O)C[C@H](O)C(C)C)CCOCC1 ZINC000160981688 362388697 /nfs/dbraw/zinc/38/86/97/362388697.db2.gz GRWIQQMZMUBJHW-NSHDSACASA-N 0 0 275.414 1.422 10 70 CDIERN CCc1cccc(CC(=O)NCCCC(=O)N(C)C)c1 ZINC000160988641 362420415 /nfs/dbraw/zinc/42/04/15/362420415.db2.gz UYXGDBIZFJWRHA-UHFFFAOYSA-N 0 0 276.380 1.776 10 70 CDIERN CCc1c(C(=O)N2C[C@H](C)OC[C@@H]2C)[nH]c(C)c1C(N)=O ZINC000161132259 362691565 /nfs/dbraw/zinc/69/15/65/362691565.db2.gz JLTIXYCFLIGREM-IUCAKERBSA-N 0 0 293.367 1.234 10 70 CDIERN Cc1conc1NC(=O)C(=O)N[C@@H]1c2ccccc2C[C@@H]1C ZINC000161158656 362704291 /nfs/dbraw/zinc/70/42/91/362704291.db2.gz ARMPHXPTHRCIJN-ZANVPECISA-N 0 0 299.330 1.971 10 70 CDIERN CCOC(=O)CN(C)Cc1nnc(-c2ccccc2)n1C ZINC000160859392 346645812 /nfs/dbraw/zinc/64/58/12/346645812.db2.gz RHECTXSSIIPLAE-UHFFFAOYSA-N 0 0 288.351 1.477 10 70 CDIERN CNC(=O)c1ccc(N[C@H]2CCO[C@H](C3CC3)C2)nn1 ZINC000160444796 188473717 /nfs/dbraw/zinc/47/37/17/188473717.db2.gz HPHASOCWMNQWIF-JQWIXIFHSA-N 0 0 276.340 1.206 10 70 CDIERN C[C@@H](NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1)[C@H](C)CO ZINC000160394630 188470088 /nfs/dbraw/zinc/47/00/88/188470088.db2.gz UEJXXTOGLVVAEJ-KKFJDGPESA-N 0 0 283.755 1.777 10 70 CDIERN COc1ccccc1N1CC[C@H](NC(=O)c2cocn2)C1 ZINC000161194695 188514233 /nfs/dbraw/zinc/51/42/33/188514233.db2.gz HLWSOXYLBLJMJW-NSHDSACASA-N 0 0 287.319 1.692 10 70 CDIERN Cc1cccc2[nH]c(CNC(=O)c3cn[nH]c3)nc21 ZINC000160332853 363822202 /nfs/dbraw/zinc/82/22/02/363822202.db2.gz WBNLZTKCJOROHB-UHFFFAOYSA-N 0 0 255.281 1.524 10 70 CDIERN CC(C)C(=O)Nc1cccc(NC(=O)NC2(CO)CC2)c1 ZINC000160573859 364039932 /nfs/dbraw/zinc/03/99/32/364039932.db2.gz RRNBGHDHJSNHBO-UHFFFAOYSA-N 0 0 291.351 1.928 10 70 CDIERN CCC[C@@H]1CN(C(=O)NCCCCC(=O)OC)CCO1 ZINC000160613526 364097511 /nfs/dbraw/zinc/09/75/11/364097511.db2.gz LYMPGOVGJHXXEY-GFCCVEGCSA-N 0 0 286.372 1.540 10 70 CDIERN CC[C@H](C)OCC(=O)Nc1ccc2c(c1)OCC(=O)N2 ZINC000159788823 364265344 /nfs/dbraw/zinc/26/53/44/364265344.db2.gz BYPLLGZKPTVSIE-VIFPVBQESA-N 0 0 278.308 1.771 10 70 CDIERN Cc1cc(OCC(=O)NCc2cccc(C)c2)nn1C ZINC000159788651 364265536 /nfs/dbraw/zinc/26/55/36/364265536.db2.gz KDXXLXFPLXQDJU-UHFFFAOYSA-N 0 0 273.336 1.732 10 70 CDIERN Cc1cc(OCC(=O)NCC2CCCCC2)nn1C ZINC000159820759 364270277 /nfs/dbraw/zinc/27/02/77/364270277.db2.gz KWYLIIGARDTSPW-UHFFFAOYSA-N 0 0 265.357 1.804 10 70 CDIERN CCc1ccc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000160003375 364292603 /nfs/dbraw/zinc/29/26/03/364292603.db2.gz VSSFGWXEGKVGFG-INIZCTEOSA-N 0 0 290.407 1.826 10 70 CDIERN Cc1cc(C[C@H](C)NC(=O)c2cnc(C)cn2)[nH]n1 ZINC000161068327 364443020 /nfs/dbraw/zinc/44/30/20/364443020.db2.gz DTDZLWRJIMEIMQ-QMMMGPOBSA-N 0 0 259.313 1.178 10 70 CDIERN CCC(=O)N1CSC[C@@H]1C(=O)Nc1cccc(F)n1 ZINC000160926734 364428849 /nfs/dbraw/zinc/42/88/49/364428849.db2.gz DMDYCYPJKKSYAE-MRVPVSSYSA-N 0 0 283.328 1.471 10 70 CDIERN CC(C)(C(=O)NC[C@H]1CC[C@@H](C(N)=O)O1)c1cccs1 ZINC000160930821 364429103 /nfs/dbraw/zinc/42/91/03/364429103.db2.gz RKTVSPKOVYXSMK-ZJUUUORDSA-N 0 0 296.392 1.175 10 70 CDIERN CCC[C@@H](C(=O)NC[C@H](c1ccco1)N(C)C)[NH+](C)C ZINC000161225635 364465691 /nfs/dbraw/zinc/46/56/91/364465691.db2.gz RPMUPZWKNNCZSA-QWHCGFSZSA-N 0 0 281.400 1.729 10 70 CDIERN CC[C@H](C)OCC(=O)N1CCC[C@H]1Cn1ccnc1C ZINC000161360103 364482621 /nfs/dbraw/zinc/48/26/21/364482621.db2.gz GDIACYQDWVDXOU-JSGCOSHPSA-N 0 0 279.384 1.998 10 70 CDIERN Cc1cnc(C)c(N2CCC(n3ccnn3)CC2)n1 ZINC000160225490 377041790 /nfs/dbraw/zinc/04/17/90/377041790.db2.gz CCEDPHJKZFQCHI-UHFFFAOYSA-N 0 0 258.329 1.526 10 70 CDIERN CCC(CC)CNC(=O)N1CCO[C@@H](C(=O)OC)C1 ZINC000160599072 377088662 /nfs/dbraw/zinc/08/86/62/377088662.db2.gz VYTLYPXPLRQTLA-LLVKDONJSA-N 0 0 272.345 1.006 10 70 CDIERN CC(=O)NCCCNC(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000159931900 139907741 /nfs/dbraw/zinc/90/77/41/139907741.db2.gz FHNQFFWKWCLYMP-AAEUAGOBSA-N 0 0 296.317 1.711 10 70 CDIERN C[C@@H]1CCC[C@H](C)N(C(=O)CNC(=O)c2cccnc2)C1 ZINC000159496911 292760502 /nfs/dbraw/zinc/76/05/02/292760502.db2.gz OXROBMDJXZDHPL-OLZOCXBDSA-N 0 0 289.379 1.849 10 70 CDIERN CN(C)C(=O)CNC(=O)C[C@H]1CCCC(C)(C)C1 ZINC000160269591 292781931 /nfs/dbraw/zinc/78/19/31/292781931.db2.gz LCRMQXWACGMWQB-LLVKDONJSA-N 0 0 254.374 1.797 10 70 CDIERN CC[C@H](CC(=O)NC(C)(C)C(N)=O)c1ccc(OC)cc1 ZINC000160447805 292787190 /nfs/dbraw/zinc/78/71/90/292787190.db2.gz KKNBRLOKTNLFBY-LLVKDONJSA-N 0 0 292.379 1.959 10 70 CDIERN C[C@]1(C(=O)N2CC[C@@H](C(N)=O)C2)CCCc2ccccc21 ZINC000160481553 292787707 /nfs/dbraw/zinc/78/77/07/292787707.db2.gz DWDJUCBEPRSXLX-DYVFJYSZSA-N 0 0 286.375 1.614 10 70 CDIERN O=C(Nc1nc(-c2ccccc2)ns1)NC1(CO)CC1 ZINC000161038338 292798575 /nfs/dbraw/zinc/79/85/75/292798575.db2.gz UEPVSMSCWDWWRL-UHFFFAOYSA-N 0 0 290.348 1.852 10 70 CDIERN COC[C@H](O)CCNC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000161063622 292799230 /nfs/dbraw/zinc/79/92/30/292799230.db2.gz ZDFATCVDSSGVKN-NQBHXWOUSA-N 0 0 299.317 1.582 10 70 CDIERN CC1CCN(C(=O)N(C)CC(=O)NC2CC2)CC1 ZINC000160456889 520980844 /nfs/dbraw/zinc/98/08/44/520980844.db2.gz SHRRWULKWAOTRO-UHFFFAOYSA-N 0 0 253.346 1.049 10 70 CDIERN CC[C@@H](O)CCNC(=O)N[C@@H](C)c1ccc2c(c1)OCO2 ZINC000160866425 522982243 /nfs/dbraw/zinc/98/22/43/522982243.db2.gz QNENEHUUWPGGRL-CMPLNLGQSA-N 0 0 294.351 1.937 10 70 CDIERN CC(C)CC[C@@H]1CCC(=O)N(C[C@H](O)COC(C)C)C1=O ZINC000160120692 527814332 /nfs/dbraw/zinc/81/43/32/527814332.db2.gz DJOMQGCZLBTAPF-KGLIPLIRSA-N 0 0 299.411 1.974 10 70 CDIERN CC(C)c1cccc(OCC(=O)NC2(CO)CC2)c1 ZINC000160331955 528181716 /nfs/dbraw/zinc/18/17/16/528181716.db2.gz XNZBWWBRQOXIJM-UHFFFAOYSA-N 0 0 263.337 1.830 10 70 CDIERN CCOc1ccccc1CCC(=O)NC1(CO)CC1 ZINC000160315178 528716136 /nfs/dbraw/zinc/71/61/36/528716136.db2.gz YJFMMPOJVZVBSB-UHFFFAOYSA-N 0 0 263.337 1.659 10 70 CDIERN CCCC1(CNC(=O)N2CCC[C@@H]2C(=O)NC)CC1 ZINC000159871636 539051575 /nfs/dbraw/zinc/05/15/75/539051575.db2.gz FNQVZEMTDFHNAI-LLVKDONJSA-N 0 0 267.373 1.487 10 70 CDIERN CCN(CCc1nccs1)CC(=O)NCC(F)(F)F ZINC000159391479 539114087 /nfs/dbraw/zinc/11/40/87/539114087.db2.gz YENDCSZMNOKOAP-UHFFFAOYSA-N 0 0 295.330 1.686 10 70 CDIERN CCN1C[C@H](C(=O)Nc2cc(C3CC3)nc(C)n2)CC1=O ZINC000160176203 539115602 /nfs/dbraw/zinc/11/56/02/539115602.db2.gz XJDJALMJTKCKDS-LLVKDONJSA-N 0 0 288.351 1.469 10 70 CDIERN CC(C)c1nnc(N[C@@H](C)CN2CCOCC2)s1 ZINC000160291186 539115667 /nfs/dbraw/zinc/11/56/67/539115667.db2.gz ZBHVXZHEAFTGEI-JTQLQIEISA-N 0 0 270.402 1.794 10 70 CDIERN Cc1cc(C[C@@H](C)NC(=O)CCCn2ccnc2)[nH]n1 ZINC000161420340 539117719 /nfs/dbraw/zinc/11/77/19/539117719.db2.gz RLSQVEWRHPAYSA-LLVKDONJSA-N 0 0 275.356 1.442 10 70 CDIERN CC(C)OC(=O)CCCNC(=O)N(C)CC1CC1 ZINC000160106660 362026990 /nfs/dbraw/zinc/02/69/90/362026990.db2.gz NRNLTZJBHKGNGK-UHFFFAOYSA-N 0 0 256.346 1.770 10 70 CDIERN C[C@H](CO)NC(=O)NCc1cccc(-c2ccccn2)c1 ZINC000160216653 362058701 /nfs/dbraw/zinc/05/87/01/362058701.db2.gz SYKPSBGCMSUVEL-GFCCVEGCSA-N 0 0 285.347 1.929 10 70 CDIERN Cc1cc(C(=O)NC2(CO)CC2)c(C)n1-c1nccs1 ZINC000160256501 342371958 /nfs/dbraw/zinc/37/19/58/342371958.db2.gz JDXKWTZNDCEBAW-UHFFFAOYSA-N 0 0 291.376 1.805 10 70 CDIERN O=C(Cn1c(=O)[nH]c2ccccc21)N1CCCCC1 ZINC000218003053 344857893 /nfs/dbraw/zinc/85/78/93/344857893.db2.gz RAQYCBLIMPNWCM-UHFFFAOYSA-N 0 0 259.309 1.342 10 70 CDIERN CCn1cc(NC(=O)c2cc(S(C)(=O)=O)cs2)cn1 ZINC000160281065 188463953 /nfs/dbraw/zinc/46/39/53/188463953.db2.gz GFKZKLQUIUSDSS-UHFFFAOYSA-N 0 0 299.377 1.620 10 70 CDIERN CCC[C@H]1CN(C(=O)c2cnc3c(c2)ncn3C)CCO1 ZINC000161010187 359978943 /nfs/dbraw/zinc/97/89/43/359978943.db2.gz VVRMWUUSLSTCSJ-LBPRGKRZSA-N 0 0 288.351 1.609 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)NCCCSC ZINC000160681111 360724774 /nfs/dbraw/zinc/72/47/74/360724774.db2.gz KEVSVJKTCLFRRG-UHFFFAOYSA-N 0 0 285.369 1.353 10 70 CDIERN COC(=O)CCCNC(=O)[C@@H]1CCC(=O)C[C@@H]1C ZINC000160335905 363822289 /nfs/dbraw/zinc/82/22/89/363822289.db2.gz QXVZZFPMVMTSHQ-GXSJLCMTSA-N 0 0 255.314 1.061 10 70 CDIERN C[C@H](Cc1ccc(O)cc1)N(C)C(=O)[C@@H]1CCC(=O)NC1 ZINC000160447853 363868411 /nfs/dbraw/zinc/86/84/11/363868411.db2.gz FFEBWURCNSZNGJ-DGCLKSJQSA-N 0 0 290.363 1.308 10 70 CDIERN Cc1cc(C(=O)NCc2nc3c(cccc3C)[nH]2)n(C)n1 ZINC000160459829 363880154 /nfs/dbraw/zinc/88/01/54/363880154.db2.gz QZHACMJGBDMOLV-UHFFFAOYSA-N 0 0 283.335 1.843 10 70 CDIERN CNC(=O)[C@@H]1CCCN1C(=O)Cc1nc(C)sc1C ZINC000159477768 364215105 /nfs/dbraw/zinc/21/51/05/364215105.db2.gz NKGRTTZESWRZQI-NSHDSACASA-N 0 0 281.381 1.039 10 70 CDIERN CCC[C@@](C)(O)C(=O)N[C@H](C)Cc1cc(C)n[nH]1 ZINC000159697177 364252980 /nfs/dbraw/zinc/25/29/80/364252980.db2.gz HIYJESNLLARIGQ-NOZJJQNGSA-N 0 0 253.346 1.316 10 70 CDIERN O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cc(F)cc(F)c1 ZINC000160006711 364293079 /nfs/dbraw/zinc/29/30/79/364293079.db2.gz OLAUHSVDVOGWGW-AWEZNQCLSA-N 0 0 298.333 1.541 10 70 CDIERN CCOCCC(=O)N[C@@H]1CCN(c2ccccc2OC)C1 ZINC000161078108 364444674 /nfs/dbraw/zinc/44/46/74/364444674.db2.gz LGNVKSCTMIYKKF-CYBMUJFWSA-N 0 0 292.379 1.817 10 70 CDIERN C[C@@H](NC(=O)Nc1ccn(CC(F)(F)F)n1)[C@H](C)CO ZINC000160819645 364412210 /nfs/dbraw/zinc/41/22/10/364412210.db2.gz RSBYGXYJSGCIMU-HTQZYQBOSA-N 0 0 294.277 1.584 10 70 CDIERN CCc1ncc(NC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cn1 ZINC000161207882 364464015 /nfs/dbraw/zinc/46/40/15/364464015.db2.gz NEHQMKDELNZHAU-WCQYABFASA-N 0 0 291.399 1.889 10 70 CDIERN CCc1ccccc1NC(=O)N[C@H]1CCc2ncnn2C1 ZINC000161182554 364461272 /nfs/dbraw/zinc/46/12/72/364461272.db2.gz SOUAVYSSWMKPQU-LBPRGKRZSA-N 0 0 285.351 1.977 10 70 CDIERN CCc1c(C(=O)NC(C)(C)C)[nH]c(C)c1C(N)=O ZINC000160568627 377086994 /nfs/dbraw/zinc/08/69/94/377086994.db2.gz ONUZJLNUHKQYLW-UHFFFAOYSA-N 0 0 251.330 1.513 10 70 CDIERN CCc1ccc(CC(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)cc1 ZINC000160943907 377138810 /nfs/dbraw/zinc/13/88/10/377138810.db2.gz ULJYKILLARSUFH-WFASDCNBSA-N 0 0 288.391 1.904 10 70 CDIERN COc1ccc(-c2cnc(CS(C)(=O)=O)o2)cc1 ZINC000161209102 377481916 /nfs/dbraw/zinc/48/19/16/377481916.db2.gz ARJMNJQXVKXPHL-UHFFFAOYSA-N 0 0 267.306 1.895 10 70 CDIERN Cc1cc(C[C@H](C)NC(=O)c2cn3cccnc3n2)[nH]n1 ZINC000161262381 377531198 /nfs/dbraw/zinc/53/11/98/377531198.db2.gz XZPRKCWSOILEJL-VIFPVBQESA-N 0 0 284.323 1.122 10 70 CDIERN CCO[C@H](C)c1nccn1C[C@@H](C)CS(C)(=O)=O ZINC000161458299 377651314 /nfs/dbraw/zinc/65/13/14/377651314.db2.gz OKTFYFJMNOZDPT-GHMZBOCLSA-N 0 0 274.386 1.661 10 70 CDIERN CCOc1ncccc1C(=O)N[C@@H](C)Cc1cc(C)n[nH]1 ZINC000161461499 377651452 /nfs/dbraw/zinc/65/14/52/377651452.db2.gz DLWFVPGSIMQBRN-JTQLQIEISA-N 0 0 288.351 1.873 10 70 CDIERN CCCN(CC(=O)NC)C(=O)NC1CCCCC1 ZINC000160424948 377758571 /nfs/dbraw/zinc/75/85/71/377758571.db2.gz UGHJWQNEAGBMPZ-UHFFFAOYSA-N 0 0 255.362 1.487 10 70 CDIERN CC(C)(CNC(=O)[C@H]1C[C@@H]1C1CCCCC1)C(N)=O ZINC000160885597 278619751 /nfs/dbraw/zinc/61/97/51/278619751.db2.gz QEBHQNJHTQYGDM-NEPJUHHUSA-N 0 0 266.385 1.831 10 70 CDIERN CC[C@H](C)CS(=O)(=O)C[C@H](C)CS(C)(=O)=O ZINC000160395587 292786500 /nfs/dbraw/zinc/78/65/00/292786500.db2.gz ZKJCDUIPWDUALD-VHSXEESVSA-N 0 0 270.416 1.128 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)N[C@H](C)CCOC ZINC000160433805 292786992 /nfs/dbraw/zinc/78/69/92/292786992.db2.gz ZFJKCDDECJSVPA-MRVPVSSYSA-N 0 0 283.328 1.025 10 70 CDIERN CC(C)N(C[C@H](C)O)C(=O)NC[C@H]1Cc2ccccc2O1 ZINC000160476356 292787666 /nfs/dbraw/zinc/78/76/66/292787666.db2.gz PXMFKCIXVKTSKF-GXTWGEPZSA-N 0 0 292.379 1.791 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)N[C@H]1CCCSC1 ZINC000160917787 292796671 /nfs/dbraw/zinc/79/66/71/292796671.db2.gz WXRUPKHCJQDTBU-VIFPVBQESA-N 0 0 297.380 1.496 10 70 CDIERN Cc1ncc(Cl)c(C(=O)NC[C@H](C)CCO)n1 ZINC000160942239 292796886 /nfs/dbraw/zinc/79/68/86/292796886.db2.gz IPSPOLDOPGQBMX-SSDOTTSWSA-N 0 0 257.721 1.187 10 70 CDIERN CCCC[C@@H](NC(=O)CNC(C)=O)C(=O)OC(C)(C)C ZINC000161122437 521075801 /nfs/dbraw/zinc/07/58/01/521075801.db2.gz XLRHQDGPMMJPDB-LLVKDONJSA-N 0 0 286.372 1.139 10 70 CDIERN CCCC[C@H](NC(=O)[C@H]1CNC(=O)C1)C(=O)OC(C)(C)C ZINC000161226140 521225275 /nfs/dbraw/zinc/22/52/75/521225275.db2.gz REFVTWIKIAWIGM-MNOVXSKESA-N 0 0 298.383 1.139 10 70 CDIERN CCc1nc2n(n1)C[C@@H](NC(=O)NC1(C)CCC1)CC2 ZINC000161278755 522521850 /nfs/dbraw/zinc/52/18/50/522521850.db2.gz FXBRSHLEBMQCNZ-JTQLQIEISA-N 0 0 277.372 1.397 10 70 CDIERN C[C@@H](C1CC1)N(C)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000161217886 524317951 /nfs/dbraw/zinc/31/79/51/524317951.db2.gz XDNJSFZQBAJOOK-ONGXEEELSA-N 0 0 263.345 1.033 10 70 CDIERN Cc1noc([C@H]2COCCN2CCOC(C)(C)C)n1 ZINC000160998036 526672546 /nfs/dbraw/zinc/67/25/46/526672546.db2.gz RTSCFFMPFMFKEN-LLVKDONJSA-N 0 0 269.345 1.566 10 70 CDIERN Cc1nc(CSC[C@@H](C)CS(C)(=O)=O)no1 ZINC000159709678 361805216 /nfs/dbraw/zinc/80/52/16/361805216.db2.gz RMTGXISYUHRRQM-SSDOTTSWSA-N 0 0 264.372 1.292 10 70 CDIERN CC(C)(C)c1nsc(N[C@H]2CCC[C@@H]2C(N)=O)n1 ZINC000159918113 361936145 /nfs/dbraw/zinc/93/61/45/361936145.db2.gz VXWJMDVTZUDJSD-YUMQZZPRSA-N 0 0 268.386 1.902 10 70 CDIERN CCn1nc(C(=O)Nc2cc(C3CC3)nc(C)n2)ccc1=O ZINC000160079959 539115385 /nfs/dbraw/zinc/11/53/85/539115385.db2.gz MYGRNRAAOJEPGB-UHFFFAOYSA-N 0 0 299.334 1.491 10 70 CDIERN Cn1c(CSc2nc(N)n[nH]2)nnc1-c1ccccc1 ZINC000160946730 362227088 /nfs/dbraw/zinc/22/70/88/362227088.db2.gz CGKKSBHWOXHSEJ-UHFFFAOYSA-N 0 0 287.352 1.475 10 70 CDIERN CNC(=O)Cc1nc(CN(C)C[C@H]2CCC[C@@H]2O)cs1 ZINC000159611368 363054136 /nfs/dbraw/zinc/05/41/36/363054136.db2.gz DSTIFKNCRLXDJP-PWSUYJOCSA-N 0 0 297.424 1.024 10 70 CDIERN Cc1nc(CC(=O)N(C)C[C@H]2CCCO2)c(C)s1 ZINC000160879453 188496110 /nfs/dbraw/zinc/49/61/10/188496110.db2.gz HKDPJJJDVXKXIC-LLVKDONJSA-N 0 0 268.382 1.940 10 70 CDIERN Cc1nc(C(=O)N(CC2CC2)CC2CC2)c(=O)[nH]c1C ZINC000159989161 363551331 /nfs/dbraw/zinc/55/13/31/363551331.db2.gz NVSHHOZIENZDQO-UHFFFAOYSA-N 0 0 275.352 1.649 10 70 CDIERN C[C@@H]1CN(S(=O)(=O)NCC2(C3CC3)CC2)C[C@H](C)O1 ZINC000160188789 237169399 /nfs/dbraw/zinc/16/93/99/237169399.db2.gz ONMKWFBOVGADDV-PHIMTYICSA-N 0 0 288.413 1.120 10 70 CDIERN CC[C@@H](NC(=O)C[C@H](C)c1ccncc1)C(=O)OC ZINC000161083869 360640496 /nfs/dbraw/zinc/64/04/96/360640496.db2.gz FWRWWWHJHPPYKV-CMPLNLGQSA-N 0 0 264.325 1.643 10 70 CDIERN Cn1ncc2c1ncnc2N[C@H]1CCCCC[C@@H]1C(N)=O ZINC000160727948 360835685 /nfs/dbraw/zinc/83/56/85/360835685.db2.gz CCAMYFSKZJJXAG-ONGXEEELSA-N 0 0 288.355 1.209 10 70 CDIERN C[C@H](CO)[C@H](C)NC(=O)Cc1ccc2c(c1)CCC2 ZINC000160330903 361450600 /nfs/dbraw/zinc/45/06/00/361450600.db2.gz FMOULSXWHADNNM-NEPJUHHUSA-N 0 0 261.365 1.851 10 70 CDIERN CCc1nc(CNC(=O)N[C@@H](C)CCO)cs1 ZINC000159401441 361687616 /nfs/dbraw/zinc/68/76/16/361687616.db2.gz DFBFBKPBZVWZKC-QMMMGPOBSA-N 0 0 257.359 1.276 10 70 CDIERN C[C@@H]1Sc2ccc(C(=O)NC3(CO)CC3)cc2NC1=O ZINC000160327216 363816543 /nfs/dbraw/zinc/81/65/43/363816543.db2.gz BWAVFBZCHGKWMB-QMMMGPOBSA-N 0 0 292.360 1.374 10 70 CDIERN CN(CC(=O)NC(C)(C)C)OCc1ccccc1 ZINC000159623313 364243436 /nfs/dbraw/zinc/24/34/36/364243436.db2.gz ZJEJYOMOGXNFNK-UHFFFAOYSA-N 0 0 250.342 1.965 10 70 CDIERN CCC1(CC)[C@H](NC(=O)NCc2ccnn2C)C[C@H]1OC ZINC000159763581 364261932 /nfs/dbraw/zinc/26/19/32/364261932.db2.gz TUVPPBUGYGKXIS-CHWSQXEVSA-N 0 0 294.399 1.813 10 70 CDIERN COc1cccc(OCCCNC(=O)C[C@H](O)C(C)C)c1 ZINC000160544844 364371315 /nfs/dbraw/zinc/37/13/15/364371315.db2.gz MUECJGQUYZKTJP-HNNXBMFYSA-N 0 0 295.379 1.987 10 70 CDIERN CCC1(NC(=O)c2ccc3[nH]c(=O)n(C)c3c2)CCC1 ZINC000160383246 364344419 /nfs/dbraw/zinc/34/44/19/364344419.db2.gz IIDLPOSJQOPGPT-UHFFFAOYSA-N 0 0 273.336 1.929 10 70 CDIERN C[C@H](c1ccco1)N(C)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000161262053 364471188 /nfs/dbraw/zinc/47/11/88/364471188.db2.gz XTNGSAOCWYRAIE-MNOVXSKESA-N 0 0 289.339 1.589 10 70 CDIERN CC(C)N(C[C@H](C)O)C(=O)NCc1cccnc1N(C)C ZINC000160250834 377041456 /nfs/dbraw/zinc/04/14/56/377041456.db2.gz BZALJBVZGOXPIV-LBPRGKRZSA-N 0 0 294.399 1.448 10 70 CDIERN CC(C)c1nnc(N2CCS(=O)(=O)[C@H](C)C2)s1 ZINC000160758765 377113029 /nfs/dbraw/zinc/11/30/29/377113029.db2.gz JMTOSQPBLIIYIC-MRVPVSSYSA-N 0 0 275.399 1.285 10 70 CDIERN CCNC(=O)C(C)(C)CNC(=O)[C@H](C)C1CCOCC1 ZINC000160859291 377122247 /nfs/dbraw/zinc/12/22/47/377122247.db2.gz VQMWDWUDAUGFFC-LLVKDONJSA-N 0 0 284.400 1.328 10 70 CDIERN COCc1ccc(C(=O)N[C@@H](C)Cc2cc(C)n[nH]2)o1 ZINC000161230994 377493497 /nfs/dbraw/zinc/49/34/97/377493497.db2.gz UQVXPTVKSWZBQA-VIFPVBQESA-N 0 0 277.324 1.819 10 70 CDIERN CCO[C@H](C)c1noc(COc2cc(C)n(C)n2)n1 ZINC000159772359 292768917 /nfs/dbraw/zinc/76/89/17/292768917.db2.gz IBFUJXOHRJJCHY-SECBINFHSA-N 0 0 266.301 1.788 10 70 CDIERN C[C@H](NC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1)[C@H]1CCCO1 ZINC000159790194 289850178 /nfs/dbraw/zinc/85/01/78/289850178.db2.gz MKEODHDEBSEYQC-DSJMHWKBSA-N 0 0 296.411 1.891 10 70 CDIERN CC1(C)C[C@H]1C(=O)N[C@@H](CC(N)=O)C1CCCCC1 ZINC000160241331 292781312 /nfs/dbraw/zinc/78/13/12/292781312.db2.gz MZXXZMPEDNGHOX-RYUDHWBXSA-N 0 0 266.385 1.973 10 70 CDIERN Cn1nccc1CSc1nnnn1-c1ccccc1 ZINC000161196311 292801935 /nfs/dbraw/zinc/80/19/35/292801935.db2.gz KOMPQOFXOLNHBH-UHFFFAOYSA-N 0 0 272.337 1.688 10 70 CDIERN CCCCOC(=O)[C@@H](C)N1CCOC[C@@H]1c1nc(C)no1 ZINC000161150345 520716352 /nfs/dbraw/zinc/71/63/52/520716352.db2.gz DKSJNXGZHNXUAF-ZYHUDNBSSA-N 0 0 297.355 1.483 10 70 CDIERN CCC(=O)N1CSC[C@H]1C(=O)N(C)Cc1cccn1C ZINC000160808444 521161637 /nfs/dbraw/zinc/16/16/37/521161637.db2.gz ZEXZLKLHCVFICK-LBPRGKRZSA-N 0 0 295.408 1.295 10 70 CDIERN O=C([C@H](O)c1ccccc1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000161497907 526521894 /nfs/dbraw/zinc/52/18/94/526521894.db2.gz OOWHRTSQKWPSRB-HZPDHXFCSA-N 0 0 298.342 1.795 10 70 CDIERN CC(C)COc1cccc(C(=O)NC2(CO)CC2)c1 ZINC000160272391 528167201 /nfs/dbraw/zinc/16/72/01/528167201.db2.gz JBOFCPWTFCDSIH-UHFFFAOYSA-N 0 0 263.337 1.976 10 70 CDIERN CCOCCC1(C(=O)NC[C@@H](C)N2CCOCC2)CCC1 ZINC000160830498 528604490 /nfs/dbraw/zinc/60/44/90/528604490.db2.gz UEKDJENKRMZPOF-CQSZACIVSA-N 0 0 298.427 1.420 10 70 CDIERN CC1(C(=O)NC2CCC(C(=O)NC(N)=O)CC2)CCC1 ZINC000160760578 528851104 /nfs/dbraw/zinc/85/11/04/528851104.db2.gz ZMOPFQIYWHUHJL-UHFFFAOYSA-N 0 0 281.356 1.047 10 70 CDIERN Cc1noc(CSC[C@H](C)CS(C)(=O)=O)n1 ZINC000159681133 361777332 /nfs/dbraw/zinc/77/73/32/361777332.db2.gz JSWYJFNCGBNQRE-ZETCQYMHSA-N 0 0 264.372 1.292 10 70 CDIERN Cc1cc(CN(C)CCCCS(C)(=O)=O)no1 ZINC000161412619 539117674 /nfs/dbraw/zinc/11/76/74/539117674.db2.gz PVBKCOBHHRBPFW-UHFFFAOYSA-N 0 0 260.359 1.240 10 70 CDIERN CCn1nc(C)cc1C(=O)N1CCOC[C@@H]1C1CC1 ZINC000161390474 539117682 /nfs/dbraw/zinc/11/76/82/539117682.db2.gz ZPSLXQDWDWRUEL-CYBMUJFWSA-N 0 0 263.341 1.462 10 70 CDIERN CC1(C)Oc2ccc(NC(=O)NC3(CO)CC3)cc2O1 ZINC000161437892 539117771 /nfs/dbraw/zinc/11/77/71/539117771.db2.gz BKKLNSNVJSSAPG-UHFFFAOYSA-N 0 0 278.308 1.840 10 70 CDIERN C[C@H]1CN(CC(=O)Nc2ccccc2F)CC[C@@H]1O ZINC000159436804 362322718 /nfs/dbraw/zinc/32/27/18/362322718.db2.gz BRLHMQQFHASETG-GWCFXTLKSA-N 0 0 266.316 1.467 10 70 CDIERN Cc1cccc(OCCC(=O)N[C@@H](C)[C@H](C)CO)c1 ZINC000160269772 362406288 /nfs/dbraw/zinc/40/62/88/362406288.db2.gz CQQBRLISUYCPDV-OLZOCXBDSA-N 0 0 265.353 1.897 10 70 CDIERN COc1ccc(/C=C/C(=O)N[C@@H](C)[C@@H](C)CO)cc1 ZINC000160286101 362407854 /nfs/dbraw/zinc/40/78/54/362407854.db2.gz MCTGNTBQCCQIMQ-PLEIZWCUSA-N 0 0 263.337 1.842 10 70 CDIERN CSCCCC(=O)N1CCC(OCCCO)CC1 ZINC000160118610 345586283 /nfs/dbraw/zinc/58/62/83/345586283.db2.gz KNBOWXULKHMRIQ-UHFFFAOYSA-N 0 0 275.414 1.520 10 70 CDIERN CNC(=O)c1cccc(CCC(=O)N(C)CC(C)(C)O)c1 ZINC000159631552 363085832 /nfs/dbraw/zinc/08/58/32/363085832.db2.gz MXOQVIBDDOVPHL-UHFFFAOYSA-N 0 0 292.379 1.208 10 70 CDIERN CC(C)CC(=O)N1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000159449135 188426658 /nfs/dbraw/zinc/42/66/58/188426658.db2.gz NKCNHXCDNGHRSH-OLZOCXBDSA-N 0 0 281.352 1.977 10 70 CDIERN CCCC[C@@H](NC(N)=O)C(=O)NCCC1=CCCC1 ZINC000161263573 188518543 /nfs/dbraw/zinc/51/85/43/188518543.db2.gz TZVNPJFDTZFZTF-GFCCVEGCSA-N 0 0 267.373 1.830 10 70 CDIERN CC(C)OCCSC[C@H](C)CS(C)(=O)=O ZINC000159772005 363294523 /nfs/dbraw/zinc/29/45/23/363294523.db2.gz KCPLDZRUPUZZRA-JTQLQIEISA-N 0 0 254.417 1.825 10 70 CDIERN CC(=O)C[C@H](C)NC(=O)C[C@H](NC(C)=O)c1ccccc1 ZINC000159962940 363521507 /nfs/dbraw/zinc/52/15/07/363521507.db2.gz GFJATQVNEIKJHR-NHYWBVRUSA-N 0 0 290.363 1.738 10 70 CDIERN Cc1cccc(CNC(=O)c2cccc3c2oc(=O)n3C)n1 ZINC000160440421 363863266 /nfs/dbraw/zinc/86/32/66/363863266.db2.gz SOWIFLOUXNPSPX-UHFFFAOYSA-N 0 0 297.314 1.765 10 70 CDIERN Cc1cc(OCc2nc(C(C)(C)C)no2)nn1C ZINC000159789609 364265350 /nfs/dbraw/zinc/26/53/50/364265350.db2.gz MWXOPYRAWHRKBQ-UHFFFAOYSA-N 0 0 250.302 1.988 10 70 CDIERN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)Nc1ccncc1 ZINC000160043218 375439784 /nfs/dbraw/zinc/43/97/84/375439784.db2.gz ILLCPZQDENVRRH-ZOWXZIJZSA-N 0 0 275.352 1.553 10 70 CDIERN CS[C@H](C)CC(=O)N1C[C@@H](C(N)=O)CC[C@H]1C ZINC000160105379 375723400 /nfs/dbraw/zinc/72/34/00/375723400.db2.gz YUQIASOJLUVSQH-BBBLOLIVSA-N 0 0 258.387 1.240 10 70 CDIERN CCOC(=O)c1ccc(N2C[C@H]3CC[C@@H](C2)O3)nc1 ZINC000218062821 140165530 /nfs/dbraw/zinc/16/55/30/140165530.db2.gz DDUIHHQEGOWMNX-TXEJJXNPSA-N 0 0 262.309 1.626 10 70 CDIERN CSC[C@@H](C)NC(=O)c1cnc2c(c1)ncn2C ZINC000160559809 147720020 /nfs/dbraw/zinc/72/00/20/147720020.db2.gz GOLRUMDKFVXXOH-MRVPVSSYSA-N 0 0 264.354 1.450 10 70 CDIERN Cc1nc(-c2ccccc2)ncc1C(=O)NC1(CO)CC1 ZINC000160251238 292781860 /nfs/dbraw/zinc/78/18/60/292781860.db2.gz AFSHGZSDAMJPED-UHFFFAOYSA-N 0 0 283.331 1.707 10 70 CDIERN C[C@@H](Oc1ccc(F)cc1Cl)C(=O)NC1(CO)CC1 ZINC000160341143 292784121 /nfs/dbraw/zinc/78/41/21/292784121.db2.gz ZRWJLJIVVAJANH-MRVPVSSYSA-N 0 0 287.718 1.888 10 70 CDIERN C[C@H](Sc1ccccn1)C(=O)NC1(CO)CC1 ZINC000160422329 292786413 /nfs/dbraw/zinc/78/64/13/292786413.db2.gz BEKUCKBACAZWRZ-VIFPVBQESA-N 0 0 252.339 1.203 10 70 CDIERN CC(C)c1nc2n(n1)C[C@H](NC(=O)NC1(C)CCC1)CC2 ZINC000161407503 519871966 /nfs/dbraw/zinc/87/19/66/519871966.db2.gz OBFRHMSLGGQUSH-LLVKDONJSA-N 0 0 291.399 1.958 10 70 CDIERN CCCCOCCCNc1ccc(C(=O)NCC)nn1 ZINC000160362832 520757064 /nfs/dbraw/zinc/75/70/64/520757064.db2.gz QNQZXPQJTKAWPT-UHFFFAOYSA-N 0 0 280.372 1.845 10 70 CDIERN CCC(=O)N1CSC[C@@H]1C(=O)N(C)Cc1cccn1C ZINC000160808324 521159783 /nfs/dbraw/zinc/15/97/83/521159783.db2.gz ZEXZLKLHCVFICK-GFCCVEGCSA-N 0 0 295.408 1.295 10 70 CDIERN CCCN1C(=O)N=NC1S(=O)(=O)Cc1ccc(C)cc1 ZINC000160922514 521632718 /nfs/dbraw/zinc/63/27/18/521632718.db2.gz UYXRFMYEFANHKO-UHFFFAOYSA-N 0 0 295.364 1.676 10 70 CDIERN CCc1cc(NC(=O)[C@H]2CCn3ccnc3C2)n[nH]1 ZINC000160584474 523815643 /nfs/dbraw/zinc/81/56/43/523815643.db2.gz DAKUBMSCKCBKNR-VIFPVBQESA-N 0 0 259.313 1.370 10 70 CDIERN C[C@H](CO)N(C)C(=O)CCc1cc2ccccc2[nH]c1=O ZINC000160568866 524534061 /nfs/dbraw/zinc/53/40/61/524534061.db2.gz OSRYBFLCJQMYNU-LLVKDONJSA-N 0 0 288.347 1.300 10 70 CDIERN CCc1c(C(=O)N(C)C(C)C)[nH]c(C)c1C(N)=O ZINC000161023543 536017337 /nfs/dbraw/zinc/01/73/37/536017337.db2.gz GKRDKEFEMNMBEK-UHFFFAOYSA-N 0 0 251.330 1.465 10 70 CDIERN O=C(Nc1cccc(N2CCOCC2)c1)NC1(CO)CC1 ZINC000161149227 342483445 /nfs/dbraw/zinc/48/34/45/342483445.db2.gz FHFDWKLPROGQOY-UHFFFAOYSA-N 0 0 291.351 1.170 10 70 CDIERN CC(C)CCn1ccc(NC(=O)NCC[C@@H](C)O)n1 ZINC000159574857 361740778 /nfs/dbraw/zinc/74/07/78/361740778.db2.gz VKBFFLMNFGPJFX-LLVKDONJSA-N 0 0 268.361 1.822 10 70 CDIERN CC1(CNC(=O)N2CCC(c3cc[nH]n3)CC2)COC1 ZINC000159853109 361881375 /nfs/dbraw/zinc/88/13/75/361881375.db2.gz WXCIVMWNEMQKHT-UHFFFAOYSA-N 0 0 278.356 1.335 10 70 CDIERN CC[C@]1(C)NC(=O)N(CC(=O)NCCC2=CCCC2)C1=O ZINC000160133603 529413466 /nfs/dbraw/zinc/41/34/66/529413466.db2.gz ACIUTDAENMYFGO-HNNXBMFYSA-N 0 0 293.367 1.324 10 70 CDIERN CNC(=O)[C@@H]1CCCN1C(=O)NCC1(C)CCC1 ZINC000159581560 539114412 /nfs/dbraw/zinc/11/44/12/539114412.db2.gz URAOAWFQERPIBG-JTQLQIEISA-N 0 0 253.346 1.097 10 70 CDIERN COc1cccc2cc(C(=O)NC3(CO)CC3)oc21 ZINC000160309680 539115731 /nfs/dbraw/zinc/11/57/31/539115731.db2.gz IOAIGAOWIQXWKX-UHFFFAOYSA-N 0 0 261.277 1.696 10 70 CDIERN CCc1cnccc1C(=O)Nc1nc(COC)ns1 ZINC000159734069 342368471 /nfs/dbraw/zinc/36/84/71/342368471.db2.gz OCHYRKBAHCHLEE-UHFFFAOYSA-N 0 0 278.337 1.894 10 70 CDIERN CCOC(C)(C)CNC1=NS(=O)(=O)c2ccccc21 ZINC000159539190 362337546 /nfs/dbraw/zinc/33/75/46/362337546.db2.gz UPQDUYHMVHPVOO-UHFFFAOYSA-N 0 0 282.365 1.540 10 70 CDIERN CCn1cc(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)cn1 ZINC000160157000 362400480 /nfs/dbraw/zinc/40/04/80/362400480.db2.gz XUHRGHKXCKIBDX-SLEUVZQESA-N 0 0 292.383 1.374 10 70 CDIERN Cc1cccc(OCCC(=O)N[C@H](C)[C@H](C)CO)c1 ZINC000160269867 362407090 /nfs/dbraw/zinc/40/70/90/362407090.db2.gz CQQBRLISUYCPDV-CHWSQXEVSA-N 0 0 265.353 1.897 10 70 CDIERN C[C@@H](NC(=O)[C@@H](C)n1cnc2ccccc21)[C@H](C)CO ZINC000160284915 362408243 /nfs/dbraw/zinc/40/82/43/362408243.db2.gz YRLATUPXAZCRJO-IJLUTSLNSA-N 0 0 275.352 1.730 10 70 CDIERN C[C@H](CO)[C@H](C)NC(=O)c1cc(F)c(F)c(F)c1F ZINC000160338546 362414848 /nfs/dbraw/zinc/41/48/48/362414848.db2.gz PFZKZVXPEIOHCG-RITPCOANSA-N 0 0 279.233 1.990 10 70 CDIERN C[C@H](O)C1CCN(C(=O)[C@H]2OCCc3ccccc32)CC1 ZINC000160439051 188472662 /nfs/dbraw/zinc/47/26/62/188472662.db2.gz SEHWDHODMCSZKO-LRDDRELGSA-N 0 0 289.375 1.920 10 70 CDIERN Cc1cc(NC(=O)CCc2ccccc2O)c[nH]c1=O ZINC000159434022 358540641 /nfs/dbraw/zinc/54/06/41/358540641.db2.gz YGLNHNKQEBWSFM-UHFFFAOYSA-N 0 0 272.304 1.960 10 70 CDIERN C[C@@H]1[C@H](C)OCCN1C(=O)NCc1cccnc1N(C)C ZINC000160243483 237171351 /nfs/dbraw/zinc/17/13/51/237171351.db2.gz ONKXGWJGSGVNKG-NEPJUHHUSA-N 0 0 292.383 1.466 10 70 CDIERN COc1ccc(C(=O)CCC(=O)NC2(CO)CC2)cc1F ZINC000160321230 363815768 /nfs/dbraw/zinc/81/57/68/363815768.db2.gz RKKVQASVPQOGPC-UHFFFAOYSA-N 0 0 295.310 1.438 10 70 CDIERN CCCOCC(=O)NCc1nc2c(cccc2C)[nH]1 ZINC000160557468 364012373 /nfs/dbraw/zinc/01/23/73/364012373.db2.gz YRGLMXNTYZRCGM-UHFFFAOYSA-N 0 0 261.325 1.914 10 70 CDIERN CN(CCc1ccccc1)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000160971434 364433658 /nfs/dbraw/zinc/43/36/58/364433658.db2.gz YGYRGPISLMHCML-CQSZACIVSA-N 0 0 299.378 1.477 10 70 CDIERN CCCCO[C@@H](C)C(=O)N[C@@H](C)Cc1cc(C)n[nH]1 ZINC000161144823 364455191 /nfs/dbraw/zinc/45/51/91/364455191.db2.gz ARGAUEPVWFPARC-JQWIXIFHSA-N 0 0 267.373 1.971 10 70 CDIERN O=C(c1cnns1)N1CCO[C@H](c2cccs2)C1 ZINC000161241850 364467778 /nfs/dbraw/zinc/46/77/78/364467778.db2.gz LYQLEKZLYJEPSY-QMMMGPOBSA-N 0 0 281.362 1.813 10 70 CDIERN O=C(Nc1cc(F)ccc1F)N[C@@H]1CCc2ncnn2C1 ZINC000161292772 364474777 /nfs/dbraw/zinc/47/47/77/364474777.db2.gz LAIGZYPXCWWHTK-SECBINFHSA-N 0 0 293.277 1.693 10 70 CDIERN CSC[C@@](C)(O)CNCc1cnn(-c2ccccc2)n1 ZINC000217868008 367259563 /nfs/dbraw/zinc/25/95/63/367259563.db2.gz NSDHNWZRVATITG-AWEZNQCLSA-N 0 0 292.408 1.471 10 70 CDIERN CC(C)N(C(=O)CS(=O)(=O)C1CCOCC1)C(C)C ZINC000160037560 376997260 /nfs/dbraw/zinc/99/72/60/376997260.db2.gz CFFHWFBEQDIKOZ-UHFFFAOYSA-N 0 0 291.413 1.226 10 70 CDIERN COc1cccc(CNC(=O)N(C)C[C@@H]2CCC[C@H]2O)n1 ZINC000160337796 377056803 /nfs/dbraw/zinc/05/68/03/377056803.db2.gz NPFOAXFBBVNMAM-WCQYABFASA-N 0 0 293.367 1.393 10 70 CDIERN NC(=O)C[C@H](Nc1ccnc(C2CC2)n1)C1CCOCC1 ZINC000161266233 377200270 /nfs/dbraw/zinc/20/02/70/377200270.db2.gz CHGYYYHDMQNELB-LBPRGKRZSA-N 0 0 290.367 1.437 10 70 CDIERN COCC(C)(C)C(=O)NCc1cn(C)nc1C(F)(F)F ZINC000161213440 292186636 /nfs/dbraw/zinc/18/66/36/292186636.db2.gz CRZNMAOBLWZKFO-UHFFFAOYSA-N 0 0 293.289 1.728 10 70 CDIERN C[C@@H]1CN(C(=O)c2cnc3c(c2)ncn3C)CCS1 ZINC000160389958 288056370 /nfs/dbraw/zinc/05/63/70/288056370.db2.gz YMUAOWVAZNKDOC-SECBINFHSA-N 0 0 276.365 1.546 10 70 CDIERN CCc1cc(C)c(C(=O)NC[C@H](C)C(=O)OC)o1 ZINC000159788633 292769536 /nfs/dbraw/zinc/76/95/36/292769536.db2.gz XHFNGSGOPLWVQD-VIFPVBQESA-N 0 0 253.298 1.689 10 70 CDIERN CCOCCCSC[C@@H](C)CS(C)(=O)=O ZINC000159811516 292770053 /nfs/dbraw/zinc/77/00/53/292770053.db2.gz DYZFAHHFKAWCGC-SNVBAGLBSA-N 0 0 254.417 1.827 10 70 CDIERN C[C@H]1CC[C@H](C(=O)NCc2ccc(O)c(F)c2)O1 ZINC000159802100 292770272 /nfs/dbraw/zinc/77/02/72/292770272.db2.gz YSOAAGBJRXMPAB-QPUJVOFHSA-N 0 0 253.273 1.715 10 70 CDIERN Cn1cc(NC(=O)c2cc(S(C)(=O)=O)cs2)cn1 ZINC000160059704 292776513 /nfs/dbraw/zinc/77/65/13/292776513.db2.gz RNQGCQSZUASBGH-UHFFFAOYSA-N 0 0 285.350 1.137 10 70 CDIERN CCOc1ccccc1OCCCC(=O)NC1(CO)CC1 ZINC000160217343 292780632 /nfs/dbraw/zinc/78/06/32/292780632.db2.gz DVHPPXLWTFFKBG-UHFFFAOYSA-N 0 0 293.363 1.885 10 70 CDIERN C[C@@H](CC(=O)NC1(CO)CC1)c1ccc(F)cc1 ZINC000160241075 292781325 /nfs/dbraw/zinc/78/13/25/292781325.db2.gz NCSHGGQFGKULPD-JTQLQIEISA-N 0 0 251.301 1.960 10 70 CDIERN CC[C@@H](C)CS(=O)(=O)C[C@@H](C)CS(C)(=O)=O ZINC000160395175 292786305 /nfs/dbraw/zinc/78/63/05/292786305.db2.gz ZKJCDUIPWDUALD-ZJUUUORDSA-N 0 0 270.416 1.128 10 70 CDIERN C[C@@H](Oc1cccc(CO)c1)C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000160652078 292792197 /nfs/dbraw/zinc/79/21/97/292792197.db2.gz USCCLHTUJIXEPA-FRRDWIJNSA-N 0 0 293.363 1.582 10 70 CDIERN Cn1ncc2c1ncnc2N[C@@H]1CCCCC[C@H]1C(N)=O ZINC000160728060 292793625 /nfs/dbraw/zinc/79/36/25/292793625.db2.gz CCAMYFSKZJJXAG-MWLCHTKSSA-N 0 0 288.355 1.209 10 70 CDIERN C[C@@H](C[S@@](=O)c1cc(F)ccc1F)CS(C)(=O)=O ZINC000161055712 292799265 /nfs/dbraw/zinc/79/92/65/292799265.db2.gz XWHBCWHSOGNDJU-QPFGOUBPSA-N 0 0 296.360 1.753 10 70 CDIERN CCOC(=O)C[C@@H](C)NC(=O)CCc1ccc(C)o1 ZINC000160558996 520827161 /nfs/dbraw/zinc/82/71/61/520827161.db2.gz BUNXKZWMMDRTGO-SNVBAGLBSA-N 0 0 267.325 1.979 10 70 CDIERN CCn1ccnc1CN1CCO[C@@H](c2nccs2)C1 ZINC000161450055 523537482 /nfs/dbraw/zinc/53/74/82/523537482.db2.gz ZZNWEZSYKIEJNQ-LLVKDONJSA-N 0 0 278.381 1.933 10 70 CDIERN Cc1ccc(NC(=O)N[C@@H]2CCc3ncnn3C2)c(F)c1 ZINC000161189311 525174513 /nfs/dbraw/zinc/17/45/13/525174513.db2.gz ORZCQNFLRKXRRF-SNVBAGLBSA-N 0 0 289.314 1.862 10 70 CDIERN Cc1noc([C@@H]2COCCN2Cc2cscn2)n1 ZINC000161090886 526658338 /nfs/dbraw/zinc/65/83/38/526658338.db2.gz WUZRMOWDJADSJH-JTQLQIEISA-N 0 0 266.326 1.408 10 70 CDIERN O=C(C[C@H]1CCCCO1)N1CCC(OCCCO)CC1 ZINC000160072047 539115378 /nfs/dbraw/zinc/11/53/78/539115378.db2.gz URZMUCOZVWXGPC-CQSZACIVSA-N 0 0 285.384 1.336 10 70 CDIERN O=C(c1ccc(Cl)cn1)N1CCC(OCCCO)CC1 ZINC000160149022 539115444 /nfs/dbraw/zinc/11/54/44/539115444.db2.gz RYGSHDUNPCHKQR-UHFFFAOYSA-N 0 0 298.770 1.739 10 70 CDIERN O=C([C@@H]1CCCS1)N1CCC(OCCCO)CC1 ZINC000160248587 539115683 /nfs/dbraw/zinc/11/56/83/539115683.db2.gz DFITUHPQIGUNRZ-LBPRGKRZSA-N 0 0 273.398 1.272 10 70 CDIERN Cc1nc2c([nH]1)C[C@@H](C(=O)NCCCOC(C)C)CC2 ZINC000161489752 539117873 /nfs/dbraw/zinc/11/78/73/539117873.db2.gz GPZIXEBQHKYEKG-LBPRGKRZSA-N 0 0 279.384 1.754 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)N(C)C1CCC1 ZINC000160808378 362177659 /nfs/dbraw/zinc/17/76/59/362177659.db2.gz FDPSQOIQQXCMPB-UHFFFAOYSA-N 0 0 265.313 1.495 10 70 CDIERN COc1ccc(F)c(NC(=O)N[C@H]2CCOC2)c1 ZINC000159404456 362319015 /nfs/dbraw/zinc/31/90/15/362319015.db2.gz USRZINIBSJUTKP-QMMMGPOBSA-N 0 0 254.261 1.745 10 70 CDIERN CCCCNC([SiH3])(NCCCC)NCCCC ZINC000255004135 362473287 /nfs/dbraw/zinc/47/32/87/362473287.db2.gz PQOBFXJDWWCERX-UHFFFAOYSA-N 0 0 259.514 1.132 10 70 CDIERN Cc1ccccc1[S@](=O)C[C@@H](C)CS(C)(=O)=O ZINC000161065405 362545939 /nfs/dbraw/zinc/54/59/39/362545939.db2.gz IVDCXESVGCBBII-HWPZZCPQSA-N 0 0 274.407 1.783 10 70 CDIERN CC[C@H](NC(=O)NCCn1cccn1)c1nccs1 ZINC000160042504 345574475 /nfs/dbraw/zinc/57/44/75/345574475.db2.gz XWSNJAKHHYHLMO-JTQLQIEISA-N 0 0 279.369 1.790 10 70 CDIERN Cc1ccc(C(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)c(C)n1 ZINC000160607694 346178084 /nfs/dbraw/zinc/17/80/84/346178084.db2.gz CRAAJJJUCUNXJM-OCCSQVGLSA-N 0 0 287.363 1.439 10 70 CDIERN C[C@@H](NC(=O)N[C@H]1CCC(=O)N(C)C1)c1cccc(O)c1 ZINC000159779524 188441096 /nfs/dbraw/zinc/44/10/96/188441096.db2.gz ZKXIWWOYISWPJB-PWSUYJOCSA-N 0 0 291.351 1.373 10 70 CDIERN Cc1cc(C[C@@H](C)NC(=O)Nc2nnc3ccccn32)[nH]n1 ZINC000159787527 188442430 /nfs/dbraw/zinc/44/24/30/188442430.db2.gz BYBVTVGRRAEASA-SECBINFHSA-N 0 0 299.338 1.514 10 70 CDIERN Cc1ccc(OCCN(C)C(=O)[C@@H]2CCNC(=O)C2)cc1 ZINC000160095283 363666149 /nfs/dbraw/zinc/66/61/49/363666149.db2.gz KYUJQRUOLVWQGD-CYBMUJFWSA-N 0 0 290.363 1.358 10 70 CDIERN C[C@H](Oc1cccc(CO)c1)C(=O)NC[C@H]1CCCO1 ZINC000160676861 360721721 /nfs/dbraw/zinc/72/17/21/360721721.db2.gz RFKLHQRRJPBBQG-SMDDNHRTSA-N 0 0 279.336 1.241 10 70 CDIERN Cc1cccc2[nH]c(CNC(=O)Cn3cccn3)nc21 ZINC000160275222 363805678 /nfs/dbraw/zinc/80/56/78/363805678.db2.gz VXQLUNHSOVSOBO-UHFFFAOYSA-N 0 0 269.308 1.384 10 70 CDIERN CC(C)C[C@H](C)NC(=O)N[C@H]1CCCn2ncnc21 ZINC000159535182 361731358 /nfs/dbraw/zinc/73/13/58/361731358.db2.gz FKELECJFEBPIIU-QWRGUYRKSA-N 0 0 265.361 1.847 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)N1CCS[C@@H](C)C1 ZINC000160493962 363941401 /nfs/dbraw/zinc/94/14/01/363941401.db2.gz QOQQVALGOLMUJL-QMMMGPOBSA-N 0 0 297.380 1.448 10 70 CDIERN C[C@H](NC(=O)c1cccc(-c2nc[nH]n2)c1)[C@@H]1CCCO1 ZINC000160275166 364327982 /nfs/dbraw/zinc/32/79/82/364327982.db2.gz BOWVDWZHWYYMKK-GWCFXTLKSA-N 0 0 286.335 1.769 10 70 CDIERN C[C@H](NC(=O)c1cccc(-c2nc[nH]n2)c1)[C@H]1CCCO1 ZINC000160275441 364328094 /nfs/dbraw/zinc/32/80/94/364328094.db2.gz BOWVDWZHWYYMKK-GXFFZTMASA-N 0 0 286.335 1.769 10 70 CDIERN Cc1nc(CC(=O)N2CCC[C@@H]2C(=O)N(C)C)c(C)s1 ZINC000160322902 364336868 /nfs/dbraw/zinc/33/68/68/364336868.db2.gz AHGMLDACLFVDGU-GFCCVEGCSA-N 0 0 295.408 1.382 10 70 CDIERN CN(CC1CC1)C(=O)c1csc(S(C)(=O)=O)c1 ZINC000160102647 364307412 /nfs/dbraw/zinc/30/74/12/364307412.db2.gz BWUDRMWTWWWYAX-UHFFFAOYSA-N 0 0 273.379 1.634 10 70 CDIERN Cc1cc(F)ccc1NC(=O)N[C@H]1CCc2ncnn2C1 ZINC000160953070 364432249 /nfs/dbraw/zinc/43/22/49/364432249.db2.gz XSRFVAYISNQOEA-NSHDSACASA-N 0 0 289.314 1.862 10 70 CDIERN CCN(Cc1ccccc1)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000161053684 364442929 /nfs/dbraw/zinc/44/29/29/364442929.db2.gz MVHKCHBJHWADDU-CQSZACIVSA-N 0 0 299.378 1.825 10 70 CDIERN CCC[C@H](NC(=O)c1cnns1)C(=O)OC(C)(C)C ZINC000161495096 364502844 /nfs/dbraw/zinc/50/28/44/364502844.db2.gz UMDIKQVCFWKNRS-QMMMGPOBSA-N 0 0 285.369 1.778 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)N(CC)CC ZINC000160138585 377047802 /nfs/dbraw/zinc/04/78/02/377047802.db2.gz SZISOEDWEPFTIY-UHFFFAOYSA-N 0 0 253.302 1.352 10 70 CDIERN COc1ccc(CS(=O)(=O)C2CCOCC2)cc1F ZINC000160099058 377001877 /nfs/dbraw/zinc/00/18/77/377001877.db2.gz ALUKHRGAVUBPHJ-UHFFFAOYSA-N 0 0 288.340 1.928 10 70 CDIERN CC(C)OC(=O)CCCNC(=O)N(C)C1CCC1 ZINC000160036532 147707859 /nfs/dbraw/zinc/70/78/59/147707859.db2.gz UUKDTTIFOHTPQF-UHFFFAOYSA-N 0 0 256.346 1.912 10 70 CDIERN C[C@H]1CN(c2nc3ccccc3[nH]2)CCS1(=O)=O ZINC000160751971 278446152 /nfs/dbraw/zinc/44/61/52/278446152.db2.gz BMTZFJONRCEODE-VIFPVBQESA-N 0 0 265.338 1.186 10 70 CDIERN CC(C)[C@H](SCCN1CCOCC1)C(=O)N(C)C ZINC000160029723 292776348 /nfs/dbraw/zinc/77/63/48/292776348.db2.gz AJRUNIKFYMAYRZ-LBPRGKRZSA-N 0 0 274.430 1.165 10 70 CDIERN O=C(Nc1ccccc1N1CCCC1)NC1(CO)CC1 ZINC000160217385 292780671 /nfs/dbraw/zinc/78/06/71/292780671.db2.gz YPIRUTYESKFPDE-UHFFFAOYSA-N 0 0 275.352 1.933 10 70 CDIERN CCCCNC(=O)CN1CCC[C@@H](c2nncn2CC)C1 ZINC000161319163 520615072 /nfs/dbraw/zinc/61/50/72/520615072.db2.gz CSLGLZQYPGMRQK-CYBMUJFWSA-N 0 0 293.415 1.394 10 70 CDIERN CCC[C@@H](NC(=O)[C@@H]1CC(=O)N(C)C1)C(=O)OC(C)(C)C ZINC000161393621 520745618 /nfs/dbraw/zinc/74/56/18/520745618.db2.gz UIUQLVIYIJEMED-GHMZBOCLSA-N 0 0 298.383 1.091 10 70 CDIERN CCOC(=O)CNC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000161059876 520784762 /nfs/dbraw/zinc/78/47/62/520784762.db2.gz PYTYGQAEXFWXAC-MWLCHTKSSA-N 0 0 283.274 1.748 10 70 CDIERN CCC[C@H](NC(=O)[C@H](C)OC)C(=O)OC(C)(C)C ZINC000161476571 521139721 /nfs/dbraw/zinc/13/97/21/521139721.db2.gz ZZAPKWCEWHYDBZ-UWVGGRQHSA-N 0 0 259.346 1.648 10 70 CDIERN O=C([C@@H]1CCCCO1)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000160975473 526466261 /nfs/dbraw/zinc/46/62/61/526466261.db2.gz PTBBRNIFRJHADO-GJZGRUSLSA-N 0 0 291.347 1.861 10 70 CDIERN Cn1nnnc1SCc1nnc(-c2ccccc2)n1C ZINC000160949755 527660644 /nfs/dbraw/zinc/66/06/44/527660644.db2.gz JTPREFDAPYBAIZ-UHFFFAOYSA-N 0 0 287.352 1.298 10 70 CDIERN CC(C)Oc1cccnc1C(=O)NCCSCCCO ZINC000161495859 528265623 /nfs/dbraw/zinc/26/56/23/528265623.db2.gz RHICNUKXCRUMTL-UHFFFAOYSA-N 0 0 298.408 1.714 10 70 CDIERN CCOCCOCC(=O)Nc1cc(C2CC2)nc(C)n1 ZINC000160134712 528792754 /nfs/dbraw/zinc/79/27/54/528792754.db2.gz LJIGPBYCWRCPGF-UHFFFAOYSA-N 0 0 279.340 1.654 10 70 CDIERN CC[C@H](NC(=O)c1cnc2c(c1)ncn2C)[C@@H]1CCCO1 ZINC000160994799 535890420 /nfs/dbraw/zinc/89/04/20/535890420.db2.gz RIWWSWXURXLFRF-AAEUAGOBSA-N 0 0 288.351 1.656 10 70 CDIERN CCc1cccc(CC(=O)N2CCC[C@H](CC(N)=O)C2)c1 ZINC000159957655 361968553 /nfs/dbraw/zinc/96/85/53/361968553.db2.gz VMJPSTPASJZHOK-OAHLLOKOSA-N 0 0 288.391 1.906 10 70 CDIERN CCc1nnc(CN2CCC[C@@H](Cc3nccn3C)C2)[nH]1 ZINC000160147668 362039420 /nfs/dbraw/zinc/03/94/20/362039420.db2.gz RDQSLKWZHHZBEO-LBPRGKRZSA-N 0 0 288.399 1.555 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)N1CC[C@@H](C)[C@@H]1C ZINC000160909574 362204169 /nfs/dbraw/zinc/20/41/69/362204169.db2.gz PGKQEWYLADBOLS-BDAKNGLRSA-N 0 0 279.340 1.741 10 70 CDIERN Cc1nn(C)c(CN(C)[C@@H]2CCOC2)c1Br ZINC000160696275 362471257 /nfs/dbraw/zinc/47/12/57/362471257.db2.gz LEFCEGHAYSENBC-SECBINFHSA-N 0 0 288.189 1.712 10 70 CDIERN C[C@@H](C[S@@](=O)c1ccc(O)cc1)CS(C)(=O)=O ZINC000161064610 362544362 /nfs/dbraw/zinc/54/43/62/362544362.db2.gz VUOUGNRHJQIRDC-FVMDXXJSSA-N 0 0 276.379 1.181 10 70 CDIERN COC(=O)C[C@@H](NC(=O)[C@H]1CCCCO1)c1ccccc1 ZINC000160496532 188476214 /nfs/dbraw/zinc/47/62/14/188476214.db2.gz CKGZJGCANKSBRP-ZIAGYGMSSA-N 0 0 291.347 1.976 10 70 CDIERN C[C@H]1CC[C@@H](C(=O)N2CCN(c3ccccc3O)CC2)O1 ZINC000159553494 237149232 /nfs/dbraw/zinc/14/92/32/237149232.db2.gz GGLNYLSRFHFGER-WFASDCNBSA-N 0 0 290.363 1.608 10 70 CDIERN CCC(CC)CS(=O)(=O)N[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000160199031 363751371 /nfs/dbraw/zinc/75/13/71/363751371.db2.gz BNECHNCFLJQYNN-NWDGAFQWSA-N 0 0 290.429 1.386 10 70 CDIERN CCO[C@@H](C)C(=O)NCc1nc2c(cccc2C)[nH]1 ZINC000160305478 363818130 /nfs/dbraw/zinc/81/81/30/363818130.db2.gz VPZKASOINKEBBD-JTQLQIEISA-N 0 0 261.325 1.913 10 70 CDIERN COC(=O)c1csc(NC(=O)C(=O)N(C)CC2CC2)c1 ZINC000160443342 363872677 /nfs/dbraw/zinc/87/26/77/363872677.db2.gz XTMUGWORQCEIOG-UHFFFAOYSA-N 0 0 296.348 1.342 10 70 CDIERN Cn1cc(NC(=O)C2CCC(C)(C)CC2)c(=O)n(C)c1=O ZINC000160229002 364321355 /nfs/dbraw/zinc/32/13/55/364321355.db2.gz YGPPKTREBWJPSA-UHFFFAOYSA-N 0 0 293.367 1.239 10 70 CDIERN C[C@@H](C(=O)N[C@H]1CCc2ncnn2C1)c1cccs1 ZINC000159980154 364289214 /nfs/dbraw/zinc/28/92/14/364289214.db2.gz YJTMZCIMXKEFGC-ZJUUUORDSA-N 0 0 276.365 1.574 10 70 CDIERN COc1cccc(Cl)c1CC(=O)N[C@@H]1CCN(C)C1=O ZINC000160103285 364307842 /nfs/dbraw/zinc/30/78/42/364307842.db2.gz QSVGEGJTZNSKNP-LLVKDONJSA-N 0 0 296.754 1.238 10 70 CDIERN CC(C)NC(=O)CN(C)C(=O)[C@H](C)C1CCOCC1 ZINC000160281310 377043004 /nfs/dbraw/zinc/04/30/04/377043004.db2.gz SYIKXHBNBYKZMB-LLVKDONJSA-N 0 0 270.373 1.032 10 70 CDIERN CC(C)C[C@H](CO)NC(=O)[C@H](C)C1CCOCC1 ZINC000160969332 377138648 /nfs/dbraw/zinc/13/86/48/377138648.db2.gz LOLFZSRONDCEJO-DGCLKSJQSA-N 0 0 257.374 1.572 10 70 CDIERN C[C@H]1CN(C(=O)c2cnc3c(c2)ncn3C)CCS1 ZINC000160390093 139910789 /nfs/dbraw/zinc/91/07/89/139910789.db2.gz YMUAOWVAZNKDOC-VIFPVBQESA-N 0 0 276.365 1.546 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)NC1CCCCC1 ZINC000159943803 292774346 /nfs/dbraw/zinc/77/43/46/292774346.db2.gz UQYRCMHAVXGBKG-UHFFFAOYSA-N 0 0 279.340 1.933 10 70 CDIERN O=C(NCCCO)NCCOCc1ccc(Cl)cc1 ZINC000160525789 292789240 /nfs/dbraw/zinc/78/92/40/292789240.db2.gz BQWKUHYUQPOOQO-UHFFFAOYSA-N 0 0 286.759 1.538 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)N[C@H](COC)C1CC1 ZINC000161152647 292801183 /nfs/dbraw/zinc/80/11/83/292801183.db2.gz SUBSYSMOCNHPGF-LLVKDONJSA-N 0 0 295.339 1.025 10 70 CDIERN CCCn1ncnc1CN1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160809167 519894382 /nfs/dbraw/zinc/89/43/82/519894382.db2.gz VNKIPBQLKRBPPD-UKRRQHHQSA-N 0 0 278.400 1.815 10 70 CDIERN CCC(CC)CNC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000160586077 521529433 /nfs/dbraw/zinc/52/94/33/521529433.db2.gz MXFHWZMYVSKMSF-LLVKDONJSA-N 0 0 265.361 1.328 10 70 CDIERN COC[C@H](C)NC(=O)[C@@H](C)Oc1cccc(CO)c1 ZINC000160865620 522618751 /nfs/dbraw/zinc/61/87/51/522618751.db2.gz ZYGBRVRADFQAEC-WDEREUQCSA-N 0 0 267.325 1.097 10 70 CDIERN C[C@H](CN1CCOCC1)OC(=O)C[C@@H](C)C(F)(F)F ZINC000218243090 617569904 /nfs/dbraw/zinc/56/99/04/617569904.db2.gz LNIVQFFKRHPALA-NXEZZACHSA-N 0 0 283.290 1.839 10 70 CDIERN Cc1ccc2cccc(C(=O)NC3(CO)CC3)c2n1 ZINC000160258132 342482854 /nfs/dbraw/zinc/48/28/54/342482854.db2.gz YTILLWLHAYOQLL-UHFFFAOYSA-N 0 0 256.305 1.798 10 70 CDIERN C[C@H](Oc1cccc(CO)c1)C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000159806133 361867484 /nfs/dbraw/zinc/86/74/84/361867484.db2.gz GZZKGTKCVDIOMH-GLQYFDAESA-N 0 0 293.363 1.366 10 70 CDIERN CC[N@H+](CCC(=O)NC(C)C)Cc1cnn(C)c1 ZINC000161122300 362680370 /nfs/dbraw/zinc/68/03/70/362680370.db2.gz YSPRYAGHZNNPDH-UHFFFAOYSA-N 0 0 252.362 1.157 10 70 CDIERN Cc1cnn(CCNC(=O)C[C@H](C)c2c(C)n[nH]c2C)c1 ZINC000161149560 188511201 /nfs/dbraw/zinc/51/12/01/188511201.db2.gz GBXFFQONZYYVPG-NSHDSACASA-N 0 0 289.383 1.841 10 70 CDIERN O=C(Cc1csc(-c2ccccc2)n1)NC1(CO)CC1 ZINC000160273224 363805214 /nfs/dbraw/zinc/80/52/14/363805214.db2.gz FFFKWIKFDYFOJW-UHFFFAOYSA-N 0 0 288.372 1.994 10 70 CDIERN COC(=O)CCCNC(=O)[C@H](C)C1CCOCC1 ZINC000160356201 363833554 /nfs/dbraw/zinc/83/35/54/363833554.db2.gz BVUROQPJRNPPOF-SNVBAGLBSA-N 0 0 257.330 1.119 10 70 CDIERN CC(C)[C@@H](O)CC(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000159651762 364247548 /nfs/dbraw/zinc/24/75/48/364247548.db2.gz RMOAWDYJSOXBTD-NSHDSACASA-N 0 0 284.743 1.784 10 70 CDIERN CN(CCC(=O)OC(C)(C)C)C(=O)NCc1ccnn1C ZINC000160663080 364392198 /nfs/dbraw/zinc/39/21/98/364392198.db2.gz XDUPUEQAOCDGIV-UHFFFAOYSA-N 0 0 296.371 1.293 10 70 CDIERN CC(C)C[C@@H](CO)NC(=O)c1cnn2c1CCCC2 ZINC000160710057 364400716 /nfs/dbraw/zinc/40/07/16/364400716.db2.gz ZEPIYLATPMNHHB-NSHDSACASA-N 0 0 265.357 1.356 10 70 CDIERN c1cc(N2CCC[C@@H]2CN2CCOCC2)nc(C2CC2)n1 ZINC000160414165 364349313 /nfs/dbraw/zinc/34/93/13/364349313.db2.gz YKLVQBLHULHVGW-CQSZACIVSA-N 0 0 288.395 1.655 10 70 CDIERN O=C(c1cn[nH]c1)N1CCO[C@@H](c2cccs2)C1 ZINC000161274761 364473599 /nfs/dbraw/zinc/47/35/99/364473599.db2.gz SJIQFTDSNMZXKU-SNVBAGLBSA-N 0 0 263.322 1.685 10 70 CDIERN CCn1nc(C)cc1C(=O)NC[C@@H](C)Cn1ccnc1C ZINC000161287388 368231880 /nfs/dbraw/zinc/23/18/80/368231880.db2.gz QGSBLHSOLDWYQH-LLVKDONJSA-N 0 0 289.383 1.782 10 70 CDIERN CCn1nc(C)cc1C(=O)N1CCN(C2CC2)CC1 ZINC000161425337 373707334 /nfs/dbraw/zinc/70/73/34/373707334.db2.gz UIKYLWVUYGAZED-UHFFFAOYSA-N 0 0 262.357 1.132 10 70 CDIERN CC[C@@H]1CO[C@@H](C)CN1CC(=O)N[C@@H](C(C)=O)C(C)C ZINC000218339245 287245670 /nfs/dbraw/zinc/24/56/70/287245670.db2.gz BKZKEDHWRQJMIB-NJZAAPMLSA-N 0 0 284.400 1.216 10 70 CDIERN COC[C@@H](C)C(=O)N[C@@H]1CCOC2(CCCC2)C1 ZINC000159485311 292751435 /nfs/dbraw/zinc/75/14/35/292751435.db2.gz LQOJEPDMMDVQGQ-VXGBXAGGSA-N 0 0 255.358 1.877 10 70 CDIERN CCCNC(=O)CNC(=O)c1cc(C)c(CC)o1 ZINC000159478263 292759909 /nfs/dbraw/zinc/75/99/09/292759909.db2.gz RBTRQVJWGQTZKB-UHFFFAOYSA-N 0 0 252.314 1.406 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)NCc1ccccc1 ZINC000159943488 292774308 /nfs/dbraw/zinc/77/43/08/292774308.db2.gz YPFREQQFJIABPN-UHFFFAOYSA-N 0 0 287.319 1.800 10 70 CDIERN O=C(NC1(CO)CC1)C(=O)c1ccc(Br)cc1 ZINC000160256510 292781873 /nfs/dbraw/zinc/78/18/73/292781873.db2.gz RUYJTCAHWBCHMY-UHFFFAOYSA-N 0 0 298.136 1.273 10 70 CDIERN Cc1cc2c(cc1C)O[C@H](C(=O)NC1(CO)CC1)C2 ZINC000160300993 292783053 /nfs/dbraw/zinc/78/30/53/292783053.db2.gz UTSVSBXKTZAZBK-ZDUSSCGKSA-N 0 0 261.321 1.248 10 70 CDIERN Cc1nn(CC(C)C)c(C)c1CCC(=O)NC1(CO)CC1 ZINC000160327643 292783893 /nfs/dbraw/zinc/78/38/93/292783893.db2.gz BOCMMDBDCCPFFT-UHFFFAOYSA-N 0 0 293.411 1.730 10 70 CDIERN O=C(CCC(=O)c1cccs1)NC1(CO)CC1 ZINC000160340299 292784548 /nfs/dbraw/zinc/78/45/48/292784548.db2.gz XPHLPWMMHVEDCN-UHFFFAOYSA-N 0 0 253.323 1.352 10 70 CDIERN O=C(CCc1ccc(Cl)s1)NC1(CO)CC1 ZINC000160354591 292785124 /nfs/dbraw/zinc/78/51/24/292785124.db2.gz JAOWPUMPWDYWSW-UHFFFAOYSA-N 0 0 259.758 1.975 10 70 CDIERN C[C@@]1(C(=O)N2CC[C@H](C(N)=O)C2)CCCc2ccccc21 ZINC000160481449 292787741 /nfs/dbraw/zinc/78/77/41/292787741.db2.gz DWDJUCBEPRSXLX-SUMWQHHRSA-N 0 0 286.375 1.614 10 70 CDIERN CCOCCOCC(=O)N[C@@H](CC)c1c(C)noc1C ZINC000160646036 292792233 /nfs/dbraw/zinc/79/22/33/292792233.db2.gz ZIUDPYYSCWCJDD-LBPRGKRZSA-N 0 0 284.356 1.912 10 70 CDIERN Cc1conc1NC(=O)C(=O)N[C@@H]1c2ccccc2C[C@H]1C ZINC000161158861 292801167 /nfs/dbraw/zinc/80/11/67/292801167.db2.gz ARMPHXPTHRCIJN-RNCFNFMXSA-N 0 0 299.330 1.971 10 70 CDIERN C[C@]1(O)CCCN(C(=O)NCc2cscn2)C1 ZINC000161346323 292804587 /nfs/dbraw/zinc/80/45/87/292804587.db2.gz FVXJJGNAYNZUSX-NSHDSACASA-N 0 0 255.343 1.200 10 70 CDIERN CC(C)(C)C[C@@H](CO)NC1=NS(=O)(=O)c2ccccc21 ZINC000161461944 518674986 /nfs/dbraw/zinc/67/49/86/518674986.db2.gz ZYPLURHGENXICM-JTQLQIEISA-N 0 0 296.392 1.522 10 70 CDIERN COC(=O)c1cncc(N2CC[C@]3(O)CCCC[C@@H]3C2)n1 ZINC000160727689 522345506 /nfs/dbraw/zinc/34/55/06/522345506.db2.gz ZAIPUMCSKVCJJF-IAQYHMDHSA-N 0 0 291.351 1.395 10 70 CDIERN CNc1ncc(C(=O)N2CCC[C@H]2C(=O)NC2CC2)s1 ZINC000161012327 522695574 /nfs/dbraw/zinc/69/55/74/522695574.db2.gz TYZWNFMGDFJCSY-VIFPVBQESA-N 0 0 294.380 1.068 10 70 CDIERN COCCCCNC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000160732538 523161594 /nfs/dbraw/zinc/16/15/94/523161594.db2.gz YVCLCMJFKPQUQI-DZGCQCFKSA-N 0 0 284.400 1.750 10 70 CDIERN C[C@@H](CO)[C@H](C)NC(=O)c1ccc(C(F)(F)F)nc1 ZINC000160397836 361745485 /nfs/dbraw/zinc/74/54/85/361745485.db2.gz HKPPWFFKSNGJHS-YUMQZZPRSA-N 0 0 276.258 1.847 10 70 CDIERN CC(C)OC(=O)CCCNC(=O)N[C@@H](C)[C@@H](C)CO ZINC000159728371 361814798 /nfs/dbraw/zinc/81/47/98/361814798.db2.gz FJUIAVNCPCGCGK-QWRGUYRKSA-N 0 0 274.361 1.034 10 70 CDIERN CCCc1cc(C(=O)N2CCS(=O)(=O)C(C)(C)C2)[nH]n1 ZINC000160008180 539115145 /nfs/dbraw/zinc/11/51/45/539115145.db2.gz GJTVKJSICKUTHR-UHFFFAOYSA-N 0 0 299.396 1.011 10 70 CDIERN C[C@H](CC(=O)N1CCS(=O)(=O)[C@H](C)C1)c1ccncc1 ZINC000160571433 539116052 /nfs/dbraw/zinc/11/60/52/539116052.db2.gz RSZDVGRZKLZWCU-VXGBXAGGSA-N 0 0 296.392 1.221 10 70 CDIERN CCn1nc(C)cc1C(=O)N(C)C[C@H]1CCCCO1 ZINC000160834761 346639167 /nfs/dbraw/zinc/63/91/67/346639167.db2.gz UROLYXUWBBFXTR-GFCCVEGCSA-N 0 0 265.357 1.853 10 70 CDIERN C[C@@H](CO)[C@H](C)NC(=O)c1cc(F)c(F)c(F)c1F ZINC000160338427 188467425 /nfs/dbraw/zinc/46/74/25/188467425.db2.gz PFZKZVXPEIOHCG-WDSKDSINSA-N 0 0 279.233 1.990 10 70 CDIERN O=C(c1cnns1)N1CCO[C@@H](c2cccs2)C1 ZINC000161241970 188517051 /nfs/dbraw/zinc/51/70/51/188517051.db2.gz LYQLEKZLYJEPSY-MRVPVSSYSA-N 0 0 281.362 1.813 10 70 CDIERN CCC[C@H](NC(=O)c1cnn(C)c1C)C(=O)OC(C)(C)C ZINC000161417887 188526589 /nfs/dbraw/zinc/52/65/89/188526589.db2.gz XNRIKIBFQLFGNP-LBPRGKRZSA-N 0 0 295.383 1.969 10 70 CDIERN O=C(Nc1cnn(-c2ncccn2)c1)NC1CC=CC1 ZINC000161390179 538853604 /nfs/dbraw/zinc/85/36/04/538853604.db2.gz IJEWHOFGZWMWQA-UHFFFAOYSA-N 0 0 270.296 1.502 10 70 CDIERN Cc1cc(C(=O)NCc2cnn3cccnc23)c(C)o1 ZINC000217334528 358994271 /nfs/dbraw/zinc/99/42/71/358994271.db2.gz PIKQVAADFKHVAJ-UHFFFAOYSA-N 0 0 270.292 1.869 10 70 CDIERN Cn1cnc2cc(C(=O)N[C@H]3CCOC(C)(C)C3)cnc21 ZINC000160983356 359909079 /nfs/dbraw/zinc/90/90/79/359909079.db2.gz ILXHRKZJISGNGL-NSHDSACASA-N 0 0 288.351 1.656 10 70 CDIERN CC1(C)CCC[C@@H](CC(=O)N[C@@H]2CCC(=O)NC2=O)C1 ZINC000160695378 360780475 /nfs/dbraw/zinc/78/04/75/360780475.db2.gz OYQKEXFCJJXQJK-WDEREUQCSA-N 0 0 280.368 1.514 10 70 CDIERN CC[C@H](C(=O)N(C)CCOC)c1c(C)noc1C ZINC000160730129 360861397 /nfs/dbraw/zinc/86/13/97/360861397.db2.gz YNLLFDKAGVKVBJ-NSHDSACASA-N 0 0 254.330 1.890 10 70 CDIERN C[C@H]1CC[C@@H](C(=O)N(C)c2ccc3c(c2)OCO3)O1 ZINC000160213099 363768367 /nfs/dbraw/zinc/76/83/67/363768367.db2.gz FFLDDALKOJRZDP-CABZTGNLSA-N 0 0 263.293 1.946 10 70 CDIERN CCCC1(CNC(=O)NC[C@H](C)N2CCOCC2)CCC1 ZINC000160231536 363777994 /nfs/dbraw/zinc/77/79/94/363777994.db2.gz NQACRKBOZILVJX-AWEZNQCLSA-N 0 0 297.443 1.977 10 70 CDIERN CC(=O)Nc1cc(NC(=O)NC2(CO)CC2)ccc1F ZINC000160520342 363963157 /nfs/dbraw/zinc/96/31/57/363963157.db2.gz FVRSNPLWWVHDKN-UHFFFAOYSA-N 0 0 281.287 1.431 10 70 CDIERN CCOCCNC(=O)CN(CC)CCc1nccs1 ZINC000159373659 364193214 /nfs/dbraw/zinc/19/32/14/364193214.db2.gz DBKJVOOHRONVBW-UHFFFAOYSA-N 0 0 285.413 1.160 10 70 CDIERN CC(C)C[C@H](CO)NC(=O)c1ccc(-c2ncon2)cc1 ZINC000160730157 364401132 /nfs/dbraw/zinc/40/11/32/364401132.db2.gz VEVVUPSXQJGBKG-CYBMUJFWSA-N 0 0 289.335 1.873 10 70 CDIERN Cc1cc(C[C@@H](C)NC(=O)[C@H](C)Oc2cccnc2)[nH]n1 ZINC000161174065 364460066 /nfs/dbraw/zinc/46/00/66/364460066.db2.gz MLFIMDNSZWSHBJ-PWSUYJOCSA-N 0 0 288.351 1.628 10 70 CDIERN CC(C)c1cc(C(=O)N2CCS(=O)(=O)C(C)(C)C2)[nH]n1 ZINC000160051334 375541175 /nfs/dbraw/zinc/54/11/75/375541175.db2.gz LDQPPHMNRSFDNJ-UHFFFAOYSA-N 0 0 299.396 1.182 10 70 CDIERN COc1cccc(CNC(=O)N(C)C[C@H]2CCC[C@@H]2O)n1 ZINC000160337670 377056935 /nfs/dbraw/zinc/05/69/35/377056935.db2.gz NPFOAXFBBVNMAM-YPMHNXCESA-N 0 0 293.367 1.393 10 70 CDIERN C[C@@H]1CN(c2nnc(C3CC3)s2)CCS1(=O)=O ZINC000160739251 377095715 /nfs/dbraw/zinc/09/57/15/377095715.db2.gz FGXIKLUQKFEEHO-SSDOTTSWSA-N 0 0 273.383 1.039 10 70 CDIERN Cc1ccn(-c2ccccc2NC(=O)[C@@H]2CCC(=O)N2)n1 ZINC000161294838 377562429 /nfs/dbraw/zinc/56/24/29/377562429.db2.gz XNHPAQKGESNDKG-LBPRGKRZSA-N 0 0 284.319 1.398 10 70 CDIERN COC[C@H](C)C(=O)N[C@H]1CCOC2(CCCC2)C1 ZINC000159485452 390939953 /nfs/dbraw/zinc/93/99/53/390939953.db2.gz LQOJEPDMMDVQGQ-RYUDHWBXSA-N 0 0 255.358 1.877 10 70 CDIERN COC(=O)Cn1cc(CCOc2c(F)cccc2F)nn1 ZINC000159376674 292757827 /nfs/dbraw/zinc/75/78/27/292757827.db2.gz YWNQUZLKNQNTNG-UHFFFAOYSA-N 0 0 297.261 1.351 10 70 CDIERN C[C@H]1CN(C(=O)c2cnc(C(F)(F)F)nc2)C[C@H](C)O1 ZINC000159707284 292766657 /nfs/dbraw/zinc/76/66/57/292766657.db2.gz AKJZXTOIMXMTNY-YUMQZZPRSA-N 0 0 289.257 1.745 10 70 CDIERN C[C@H](C(=O)N(C)CCCn1ccnc1)C1CCOCC1 ZINC000160069597 292777205 /nfs/dbraw/zinc/77/72/05/292777205.db2.gz QUIAXDWUSYOYCU-ZDUSSCGKSA-N 0 0 279.384 1.794 10 70 CDIERN CCCNC(=O)CCNC(=O)Cc1cccc(CC)c1 ZINC000160247781 292781882 /nfs/dbraw/zinc/78/18/82/292781882.db2.gz IHTVLFZPEUSCIS-UHFFFAOYSA-N 0 0 276.380 1.824 10 70 CDIERN Cc1ccc(C(=O)CCC(=O)NC2(CO)CC2)cc1C ZINC000160493605 292788634 /nfs/dbraw/zinc/78/86/34/292788634.db2.gz IKBOTSHTZCHDIY-UHFFFAOYSA-N 0 0 275.348 1.907 10 70 CDIERN CCOCCOCC(=O)N[C@H](CC)c1c(C)noc1C ZINC000160646132 292792295 /nfs/dbraw/zinc/79/22/95/292792295.db2.gz ZIUDPYYSCWCJDD-GFCCVEGCSA-N 0 0 284.356 1.912 10 70 CDIERN C[C@@H](C[S@@](=O)c1ncccc1Cl)CS(C)(=O)=O ZINC000161060006 292799273 /nfs/dbraw/zinc/79/92/73/292799273.db2.gz XLYVTRYZUAGMEB-PWJLMRLQSA-N 0 0 295.813 1.523 10 70 CDIERN O=S(=O)(NC1CCCC1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000216853315 304758762 /nfs/dbraw/zinc/75/87/62/304758762.db2.gz GZWWKJITUKPQOS-CHWSQXEVSA-N 0 0 288.413 1.407 10 70 CDIERN CCC[C@H](NC(=O)CN1CCCC1=O)C(=O)OC(C)(C)C ZINC000161481245 521124958 /nfs/dbraw/zinc/12/49/58/521124958.db2.gz JCRJORVJJACSCL-NSHDSACASA-N 0 0 298.383 1.235 10 70 CDIERN CC[C@@](C)(O)CN1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000161240342 523664573 /nfs/dbraw/zinc/66/45/73/523664573.db2.gz CMARHOXDGWEJQB-MRXNPFEDSA-N 0 0 294.370 1.631 10 70 CDIERN Cc1cc(C)n(CC(=O)N(C)Cc2cccn2C)n1 ZINC000160453465 524501690 /nfs/dbraw/zinc/50/16/90/524501690.db2.gz FCNHCRGZSLDXJC-UHFFFAOYSA-N 0 0 260.341 1.497 10 70 CDIERN CC[C@@H](NC(=O)[C@@H]1CCCN1C(C)=O)c1c(C)noc1C ZINC000159946471 535798291 /nfs/dbraw/zinc/79/82/91/535798291.db2.gz UCSOBQUTLZRLSV-OLZOCXBDSA-N 0 0 293.367 1.870 10 70 CDIERN CCc1ccc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)o1 ZINC000159589562 361738084 /nfs/dbraw/zinc/73/80/84/361738084.db2.gz JIISKMGSSJOIJB-QWRGUYRKSA-N 0 0 250.342 1.928 10 70 CDIERN CC[C@@H](C)OCC(=O)N1CCC[C@@H]1Cn1ccnc1C ZINC000161359737 529376245 /nfs/dbraw/zinc/37/62/45/529376245.db2.gz GDIACYQDWVDXOU-TZMCWYRMSA-N 0 0 279.384 1.998 10 70 CDIERN CCOCCOCC(=O)N[C@H]1CCOC2(CCCC2)C1 ZINC000159868169 361888482 /nfs/dbraw/zinc/88/84/82/361888482.db2.gz BVQFZIMIUYLDLN-ZDUSSCGKSA-N 0 0 285.384 1.648 10 70 CDIERN CCCC1(CNC(=O)N2CCC[C@H]2C(=O)NC)CC1 ZINC000159871781 539114967 /nfs/dbraw/zinc/11/49/67/539114967.db2.gz FNQVZEMTDFHNAI-NSHDSACASA-N 0 0 267.373 1.487 10 70 CDIERN CS(=O)(=O)CCCCN1CCN(c2ccccc2)CC1 ZINC000161080898 539117198 /nfs/dbraw/zinc/11/71/98/539117198.db2.gz AKBALAYBEZEUDL-UHFFFAOYSA-N 0 0 296.436 1.633 10 70 CDIERN Cc1c(C(=O)NC2(CO)CC2)nnn1-c1ccc(C)cc1 ZINC000160457821 342374267 /nfs/dbraw/zinc/37/42/67/342374267.db2.gz CJERDJHNHCROTG-UHFFFAOYSA-N 0 0 286.335 1.139 10 70 CDIERN Cn1c(CSc2nc[nH]n2)nnc1-c1ccccc1 ZINC000160951919 362233519 /nfs/dbraw/zinc/23/35/19/362233519.db2.gz RGMUSPUWEXCSJO-UHFFFAOYSA-N 0 0 272.337 1.893 10 70 CDIERN C[C@@H](NC(=O)CCCOc1ccccc1)[C@H](C)CO ZINC000160387017 362420033 /nfs/dbraw/zinc/42/00/33/362420033.db2.gz KMVYAHNCCGPEDG-CHWSQXEVSA-N 0 0 265.353 1.979 10 70 CDIERN CCN(CCCO)C(=O)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000160546211 362443513 /nfs/dbraw/zinc/44/35/13/362443513.db2.gz YXOKCVDLTCFCCX-CYBMUJFWSA-N 0 0 283.755 1.874 10 70 CDIERN C[C@@H](C[S@](=O)c1cc(F)ccc1F)CS(C)(=O)=O ZINC000161055947 362540890 /nfs/dbraw/zinc/54/08/90/362540890.db2.gz XWHBCWHSOGNDJU-WNWIJWBNSA-N 0 0 296.360 1.753 10 70 CDIERN Cc1cccc([S@@](=O)C[C@H](C)CS(C)(=O)=O)c1 ZINC000161067981 362546211 /nfs/dbraw/zinc/54/62/11/362546211.db2.gz WKHYOCSRCNBTGQ-MEDUHNTESA-N 0 0 274.407 1.783 10 70 CDIERN O=C(NC1COC1)c1c(F)cccc1Br ZINC000161084757 365941293 /nfs/dbraw/zinc/94/12/93/365941293.db2.gz YBWOWRYDHWSRCX-UHFFFAOYSA-N 0 0 274.089 1.717 10 70 CDIERN C[C@@H](CS(C)(=O)=O)CS(=O)(=O)c1ccc(F)cc1 ZINC000160335405 363821807 /nfs/dbraw/zinc/82/18/07/363821807.db2.gz DWJDVZOMNKFCFL-VIFPVBQESA-N 0 0 294.369 1.280 10 70 CDIERN C[C@H](CS(C)(=O)=O)CS(=O)(=O)c1ccccc1 ZINC000160338062 363823431 /nfs/dbraw/zinc/82/34/31/363823431.db2.gz BDRRNOSOBIRQJQ-SNVBAGLBSA-N 0 0 276.379 1.141 10 70 CDIERN Cc1cccc2[nH]c(CNC(=O)c3c[nH]c(=O)cc3C)nc21 ZINC000160396195 363844169 /nfs/dbraw/zinc/84/41/69/363844169.db2.gz RWRKKVLVJUUYNF-UHFFFAOYSA-N 0 0 296.330 1.798 10 70 CDIERN COc1ccc2c(c1)[nH]cc(C(=O)NC[C@@H](C)CO)c2=O ZINC000159596029 364239766 /nfs/dbraw/zinc/23/97/66/364239766.db2.gz RLXJVPTZZSCWIT-SECBINFHSA-N 0 0 290.319 1.307 10 70 CDIERN CCCN(C)S(=O)(=O)NCCc1ccccc1O ZINC000159660106 364247573 /nfs/dbraw/zinc/24/75/73/364247573.db2.gz FCRALDRSLZAEOB-UHFFFAOYSA-N 0 0 272.370 1.111 10 70 CDIERN CCc1nn(C)c(Cl)c1C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000160274121 364328085 /nfs/dbraw/zinc/32/80/85/364328085.db2.gz QGVKJSBJXNEDLZ-WPRPVWTQSA-N 0 0 285.775 1.933 10 70 CDIERN CCc1ccc(C(=O)N2CCS(=O)(=O)C(C)(C)C2)cc1 ZINC000160175847 364313622 /nfs/dbraw/zinc/31/36/22/364313622.db2.gz BWYONLMTNTTZMH-UHFFFAOYSA-N 0 0 295.404 1.898 10 70 CDIERN C[C@@H](CO)N(C)C(=O)[C@@H]1CC(c2cc(F)ccc2F)=NO1 ZINC000160501219 364363513 /nfs/dbraw/zinc/36/35/13/364363513.db2.gz VYIHTCHBMPLJJN-SDBXPKJASA-N 0 0 298.289 1.297 10 70 CDIERN Cc1ccn2ncc(C(=O)N[C@H](CO)CC(C)C)c2n1 ZINC000160774780 364407701 /nfs/dbraw/zinc/40/77/01/364407701.db2.gz JRYGTXCPOOAKLR-NSHDSACASA-N 0 0 276.340 1.175 10 70 CDIERN O=C(N1CCN(C2CC2)CC1)N1CCCCCC1 ZINC000160402865 364347705 /nfs/dbraw/zinc/34/77/05/364347705.db2.gz HZNUVUUOGJXTKV-UHFFFAOYSA-N 0 0 251.374 1.762 10 70 CDIERN O=C(Nc1c(F)cccc1F)N[C@@H]1CCc2ncnn2C1 ZINC000161106892 364450299 /nfs/dbraw/zinc/45/02/99/364450299.db2.gz CGXIVUSBCBVAEB-MRVPVSSYSA-N 0 0 293.277 1.693 10 70 CDIERN Cc1cc(C[C@@H](C)NC(=O)c2cnn3ccc(C)nc23)[nH]n1 ZINC000161290471 364475201 /nfs/dbraw/zinc/47/52/01/364475201.db2.gz LXOHZIKIBBWZLR-SNVBAGLBSA-N 0 0 298.350 1.430 10 70 CDIERN CCC[C@@H](NC(=O)Cn1cccn1)C(=O)OC(C)(C)C ZINC000161420437 364490351 /nfs/dbraw/zinc/49/03/51/364490351.db2.gz XFVGOQVIMYXBIV-LLVKDONJSA-N 0 0 281.356 1.510 10 70 CDIERN CCN(CCc1nccs1)C(=O)NCCCNC(C)=O ZINC000161496331 364502567 /nfs/dbraw/zinc/50/25/67/364502567.db2.gz WENFWTKZIOMCKX-UHFFFAOYSA-N 0 0 298.412 1.243 10 70 CDIERN CC(C)CSCCCNC(=O)[C@H]1CSC(=O)N1 ZINC000160687354 370787341 /nfs/dbraw/zinc/78/73/41/370787341.db2.gz AQNGDXFSCHCAMC-SECBINFHSA-N 0 0 276.427 1.707 10 70 CDIERN Cc1cccc2c1CCN2C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000161312953 369879335 /nfs/dbraw/zinc/87/93/35/369879335.db2.gz KPRDSHJYSZUQQM-GFCCVEGCSA-N 0 0 297.362 1.674 10 70 CDIERN CCc1cccc(CC(=O)N[C@H]2CCCC[C@@H]2C(N)=O)c1 ZINC000161281654 377203533 /nfs/dbraw/zinc/20/35/33/377203533.db2.gz QRRHOTAZSKVFMW-GJZGRUSLSA-N 0 0 288.391 1.952 10 70 CDIERN CCO[C@@H](C)c1nccn1CC(=O)N(C)CC1CC1 ZINC000161495034 377694377 /nfs/dbraw/zinc/69/43/77/377694377.db2.gz BGVWSIFJQKDTTN-NSHDSACASA-N 0 0 265.357 1.849 10 70 CDIERN C[C@H]1CN(c2ccnc(Cl)c2)CCS1(=O)=O ZINC000160724704 390980899 /nfs/dbraw/zinc/98/08/99/390980899.db2.gz WRTNJYVUAFQJAO-QMMMGPOBSA-N 0 0 260.746 1.358 10 70 CDIERN COc1cc(C(=O)NC[C@H](O)C(F)(F)F)ccc1F ZINC000217858836 130764774 /nfs/dbraw/zinc/76/47/74/130764774.db2.gz HNXDICLZMZCGQO-VIFPVBQESA-N 0 0 281.205 1.487 10 70 CDIERN Cc1cc(=O)[nH]c(-c2ccc(NC(=O)c3cc[nH]n3)cc2)n1 ZINC000161175187 279877625 /nfs/dbraw/zinc/87/76/25/279877625.db2.gz AWWKKHUOSLQXDA-UHFFFAOYSA-N 0 0 295.302 1.721 10 70 CDIERN C[C@H](C(=O)NCc1ccc(C(N)=O)cc1)C1CCOCC1 ZINC000159454144 292759905 /nfs/dbraw/zinc/75/99/05/292759905.db2.gz RCTAWLBTFUUSOC-NSHDSACASA-N 0 0 290.363 1.464 10 70 CDIERN Cc1nnc(NC(=O)[C@H](C)Oc2cccc(CO)c2)s1 ZINC000159614557 292763137 /nfs/dbraw/zinc/76/31/37/292763137.db2.gz HEVJVZDOKZFOGA-QMMMGPOBSA-N 0 0 293.348 1.745 10 70 CDIERN CCOC(=O)[C@H](C)N[C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159906698 292773632 /nfs/dbraw/zinc/77/36/32/292773632.db2.gz ANKASHUSRIKXNC-NEPJUHHUSA-N 0 0 288.351 1.870 10 70 CDIERN C[C@@H](O)CCNC(=O)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000160318674 292783766 /nfs/dbraw/zinc/78/37/66/292783766.db2.gz MCSQBVVUNFXZGX-USWWRNFRSA-N 0 0 256.346 1.014 10 70 CDIERN O=C(NC1(CO)CC1)c1ccc(-c2ccccc2)[nH]c1=O ZINC000160356005 292785120 /nfs/dbraw/zinc/78/51/20/292785120.db2.gz GGTJWLUIZMBOLA-UHFFFAOYSA-N 0 0 284.315 1.297 10 70 CDIERN COCCN(CCO)C(=O)[C@@H]1CCOc2ccccc21 ZINC000160646710 523702056 /nfs/dbraw/zinc/70/20/56/523702056.db2.gz LJHSGCDRUOBQOS-CYBMUJFWSA-N 0 0 279.336 1.020 10 70 CDIERN O=C(C[C@@H]1OCCc2ccccc21)NC1(CO)CC1 ZINC000160212226 342482840 /nfs/dbraw/zinc/48/28/40/342482840.db2.gz XWDPTBFTFYOQKU-ZDUSSCGKSA-N 0 0 261.321 1.332 10 70 CDIERN CCOCCC1(CNC(=O)N2CCC[C@@H]2C(=O)NC)CC1 ZINC000160213066 539060115 /nfs/dbraw/zinc/06/01/15/539060115.db2.gz BYVRVBRYBGECKT-GFCCVEGCSA-N 0 0 297.399 1.113 10 70 CDIERN CCOC(=O)C[C@H](C)NC(=O)[C@@H](C)c1cccnc1 ZINC000160058915 362012909 /nfs/dbraw/zinc/01/29/09/362012909.db2.gz VRJCBANJKITTRL-QWRGUYRKSA-N 0 0 264.325 1.643 10 70 CDIERN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CCCCCC1 ZINC000159972376 362384070 /nfs/dbraw/zinc/38/40/70/362384070.db2.gz CIUYFHIHEWZLEH-ZENOOKHLSA-N 0 0 280.412 1.922 10 70 CDIERN CC(C)n1cnnc1SCC(=O)N[C@H](C)[C@H](C)CO ZINC000160374677 362419026 /nfs/dbraw/zinc/41/90/26/362419026.db2.gz DKGARAJULOYRGL-NXEZZACHSA-N 0 0 286.401 1.084 10 70 CDIERN C[C@@H](C[S@](=O)c1ccc(F)c(F)c1)CS(C)(=O)=O ZINC000161055219 362529195 /nfs/dbraw/zinc/52/91/95/362529195.db2.gz SALCIJWUHFXTDS-WNWIJWBNSA-N 0 0 296.360 1.753 10 70 CDIERN C[C@@H](CO)N(C)S(=O)(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC000161311649 188521612 /nfs/dbraw/zinc/52/16/12/188521612.db2.gz AISRHZWEYWTUKF-UWVGGRQHSA-N 0 0 285.365 1.011 10 70 CDIERN C[C@H](CSCCOCC1CC1)CS(C)(=O)=O ZINC000159810544 363332091 /nfs/dbraw/zinc/33/20/91/363332091.db2.gz TYXZIMHVSBCKAK-SNVBAGLBSA-N 0 0 266.428 1.827 10 70 CDIERN CC(C)OCCOC[C@@H](O)CN(C)C(=O)[C@@H]1CC1(C)C ZINC000160083357 363647777 /nfs/dbraw/zinc/64/77/77/363647777.db2.gz UNMGJIPJVMBIBV-STQMWFEESA-N 0 0 287.400 1.293 10 70 CDIERN CCCCN(C)C(=O)C(=O)Nc1c(C)onc1CC ZINC000160129972 363678625 /nfs/dbraw/zinc/67/86/25/363678625.db2.gz SHRGZNHAVJTZDB-UHFFFAOYSA-N 0 0 267.329 1.742 10 70 CDIERN CC(C)c1noc2ncc(C(=O)NC3(CO)CC3)cc21 ZINC000160234262 363788646 /nfs/dbraw/zinc/78/86/46/363788646.db2.gz AZVHQYWSHLBDEQ-UHFFFAOYSA-N 0 0 275.308 1.601 10 70 CDIERN COc1nc(C)nc(N[C@H](CCO)CSC)c1C ZINC000159404982 361689266 /nfs/dbraw/zinc/68/92/66/361689266.db2.gz ZLDSJGNICACJMO-SNVBAGLBSA-N 0 0 271.386 1.628 10 70 CDIERN Cc1n[nH]c(C)c1CC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000160403262 365000692 /nfs/dbraw/zinc/00/06/92/365000692.db2.gz OPCWSFRMXFILBS-BBRMVZONSA-N 0 0 291.395 1.723 10 70 CDIERN C[C@@]1(O)CCCN(C(=O)N[C@@H]2COc3ccccc32)C1 ZINC000161295998 368372292 /nfs/dbraw/zinc/37/22/92/368372292.db2.gz JYXNRBOXAXULIX-IUODEOHRSA-N 0 0 276.336 1.677 10 70 CDIERN CC(C)n1ccnc1CN1CCC[C@H]1C(=O)N(C)C ZINC000160730245 276085981 /nfs/dbraw/zinc/08/59/81/276085981.db2.gz LGAHKTJZCYLCQU-LBPRGKRZSA-N 0 0 264.373 1.517 10 70 CDIERN C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC1(CO)CC1 ZINC000160316088 292783878 /nfs/dbraw/zinc/78/38/78/292783878.db2.gz MFNYTDQWEFVPMO-SECBINFHSA-N 0 0 296.754 1.099 10 70 CDIERN C[C@H](Oc1ccc(F)cc1Cl)C(=O)NC1(CO)CC1 ZINC000160341014 292784556 /nfs/dbraw/zinc/78/45/56/292784556.db2.gz ZRWJLJIVVAJANH-QMMMGPOBSA-N 0 0 287.718 1.888 10 70 CDIERN C[C@@H](Oc1cccc(CO)c1)C(=O)NC[C@H]1CCCO1 ZINC000160676959 292792403 /nfs/dbraw/zinc/79/24/03/292792403.db2.gz RFKLHQRRJPBBQG-BXUZGUMPSA-N 0 0 279.336 1.241 10 70 CDIERN Cn1ccnc1CN1CCNC(=O)C[C@H]1c1ccccc1 ZINC000160826742 292794831 /nfs/dbraw/zinc/79/48/31/292794831.db2.gz OLTMALNRNRKWJG-AWEZNQCLSA-N 0 0 284.363 1.483 10 70 CDIERN Cc1[nH]c(=O)ccc1C(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000160134714 293349371 /nfs/dbraw/zinc/34/93/71/293349371.db2.gz HPICOCBJJCAMOQ-STQMWFEESA-N 0 0 276.336 1.879 10 70 CDIERN C[C@@H]1C[C@H]1NC(=O)NCCc1nnc(-c2ccccc2)o1 ZINC000160061436 534042224 /nfs/dbraw/zinc/04/22/24/534042224.db2.gz MTVRYGFADRFLSM-ZYHUDNBSSA-N 0 0 286.335 1.987 10 70 CDIERN COC(CN1CCCN(C(=O)c2cccs2)CC1)OC ZINC000161083468 522530616 /nfs/dbraw/zinc/53/06/16/522530616.db2.gz FUHYGXNOTJJFTD-UHFFFAOYSA-N 0 0 298.408 1.515 10 70 CDIERN Cc1cccc(N(C)C(=O)CNC(=O)c2cccnc2)c1 ZINC000161245249 524511276 /nfs/dbraw/zinc/51/12/76/524511276.db2.gz XUMOQARQPZKVPD-UHFFFAOYSA-N 0 0 283.331 1.783 10 70 CDIERN C[C@@H](CO)NC(=O)NCCOCc1ccc(Cl)cc1 ZINC000160511705 524801818 /nfs/dbraw/zinc/80/18/18/524801818.db2.gz HOSKICMZPOFNPR-JTQLQIEISA-N 0 0 286.759 1.537 10 70 CDIERN CCCC(O)(CCC)CC(=O)NCCc1nc(C)no1 ZINC000161009279 528006388 /nfs/dbraw/zinc/00/63/88/528006388.db2.gz DIKHPTWRNPCKMO-UHFFFAOYSA-N 0 0 283.372 1.758 10 70 CDIERN CCC[C@](C)(O)C(=O)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000159592133 361744543 /nfs/dbraw/zinc/74/45/43/361744543.db2.gz DERCWECKMZGKLW-ZBFHGGJFSA-N 0 0 293.363 1.843 10 70 CDIERN CC[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)c1c(C)noc1C ZINC000159946350 361962363 /nfs/dbraw/zinc/96/23/63/361962363.db2.gz UCSOBQUTLZRLSV-STQMWFEESA-N 0 0 293.367 1.870 10 70 CDIERN Cc1nc(NC(=O)[C@H]2CCCN2c2nccs2)n(C)n1 ZINC000159807437 539114747 /nfs/dbraw/zinc/11/47/47/539114747.db2.gz JFEOLPMWCUWULE-SECBINFHSA-N 0 0 292.368 1.188 10 70 CDIERN Cc1oc(C)c(C(=O)N2CCS(=O)(=O)C(C)(C)C2)c1C ZINC000160172399 539115588 /nfs/dbraw/zinc/11/55/88/539115588.db2.gz RTZAFGHPCCYENP-UHFFFAOYSA-N 0 0 299.392 1.854 10 70 CDIERN CCCC[C@@H](CCC)NC(=O)C1CC2(C1)NC(=O)NC2=O ZINC000160037426 362008301 /nfs/dbraw/zinc/00/83/01/362008301.db2.gz ODFLBRKWNQBGCK-LOIXOFCESA-N 0 0 295.383 1.450 10 70 CDIERN C[C@@H](CCO)NC(=O)NCCCc1cccc(F)c1 ZINC000159523656 345198602 /nfs/dbraw/zinc/19/86/02/345198602.db2.gz PNCNVNDYWGILSJ-NSHDSACASA-N 0 0 268.332 1.828 10 70 CDIERN COc1ncccc1N(C)S(=O)(=O)c1ccccc1 ZINC000160039932 345574218 /nfs/dbraw/zinc/57/42/18/345574218.db2.gz DPECOEHGBLIVEV-UHFFFAOYSA-N 0 0 278.333 1.915 10 70 CDIERN CS[C@@H](C)CNC(=O)c1cc(S(C)(=O)=O)cs1 ZINC000160017549 188451100 /nfs/dbraw/zinc/45/11/00/188451100.db2.gz SUWBDTOFNTUAFD-ZETCQYMHSA-N 0 0 293.435 1.633 10 70 CDIERN COc1ccc(O[C@H](C)CNC(=O)C[C@@H](O)C(C)C)cc1 ZINC000161168666 188512505 /nfs/dbraw/zinc/51/25/05/188512505.db2.gz VEBORDGNKHJYMB-IUODEOHRSA-N 0 0 295.379 1.986 10 70 CDIERN Cc1cc(C(=O)N[C@H]2CCCC[C@H]2CO)c(C)nn1 ZINC000218157440 538525036 /nfs/dbraw/zinc/52/50/36/538525036.db2.gz HAAQSWQXMWODHH-AAEUAGOBSA-N 0 0 263.341 1.374 10 70 CDIERN C[C@@H]1CCC[C@H](C)CN1C(=O)CNC(=O)c1cccnc1 ZINC000159497339 358746680 /nfs/dbraw/zinc/74/66/80/358746680.db2.gz OXROBMDJXZDHPL-QWHCGFSZSA-N 0 0 289.379 1.849 10 70 CDIERN COc1ccc2c(CC(=O)NC3(CO)CC3)coc2c1 ZINC000160273059 363795098 /nfs/dbraw/zinc/79/50/98/363795098.db2.gz LHMAHCFFASMALO-UHFFFAOYSA-N 0 0 275.304 1.625 10 70 CDIERN CCC(CC)S(=O)(=O)C[C@@H](C)CS(C)(=O)=O ZINC000160370914 363841891 /nfs/dbraw/zinc/84/18/91/363841891.db2.gz VTPJNTRPQBIBSD-VIFPVBQESA-N 0 0 270.416 1.271 10 70 CDIERN CCC[C@H](NC(N)=O)C(=O)NCCC1=CCCC1 ZINC000161133727 364451280 /nfs/dbraw/zinc/45/12/80/364451280.db2.gz FMTCZENVWPJOKI-NSHDSACASA-N 0 0 253.346 1.440 10 70 CDIERN CCC[C@H](C(=O)NCCn1cc(C)cn1)[NH+](C)C ZINC000161148420 364454919 /nfs/dbraw/zinc/45/49/19/364454919.db2.gz ZXHIEGGIXVYGKA-GFCCVEGCSA-N 0 0 252.362 1.038 10 70 CDIERN C[C@@H]1C[C@H]1NC(=O)NCc1cn(C)nc1C(F)(F)F ZINC000160900433 364424527 /nfs/dbraw/zinc/42/45/27/364424527.db2.gz YXIFMDXFGKNKKT-HTRCEHHLSA-N 0 0 276.262 1.647 10 70 CDIERN CCO[C@@H](C)C(=O)N[C@@H]1CCN(c2ccccc2OC)C1 ZINC000161172315 364458053 /nfs/dbraw/zinc/45/80/53/364458053.db2.gz AKEDXBJIUARVEI-QWHCGFSZSA-N 0 0 292.379 1.815 10 70 CDIERN O=C(Nc1ccc(F)c(F)c1)N[C@@H]1CCc2ncnn2C1 ZINC000161293247 364474844 /nfs/dbraw/zinc/47/48/44/364474844.db2.gz DEOBIFSHCCIZLT-SECBINFHSA-N 0 0 293.277 1.693 10 70 CDIERN CC(C)[C@H]1C(=O)NCCN1c1nc(C(C)(C)C)ns1 ZINC000160150415 377378179 /nfs/dbraw/zinc/37/81/79/377378179.db2.gz MNMYCKCSKNPWCD-VIFPVBQESA-N 0 0 282.413 1.796 10 70 CDIERN CC(C)OC(=O)CCCNC(=O)N(C)C[C@H]1CCCO1 ZINC000160108875 139909377 /nfs/dbraw/zinc/90/93/77/139909377.db2.gz UHFQAAKQABICOR-GFCCVEGCSA-N 0 0 286.372 1.539 10 70 CDIERN CC1(C)C[C@H]1C(=O)NCCC(=O)NC1CCCCC1 ZINC000159978448 292775020 /nfs/dbraw/zinc/77/50/20/292775020.db2.gz VLKIYKXTELRKQN-LBPRGKRZSA-N 0 0 266.385 1.988 10 70 CDIERN O=C(NC1(CO)CC1)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000160341717 292784418 /nfs/dbraw/zinc/78/44/18/292784418.db2.gz PPJOBWRXILKPQX-NXEZZACHSA-N 0 0 267.275 1.709 10 70 CDIERN CC(C)(C)Oc1cccc(CCC(=O)NC2(CO)CC2)n1 ZINC000160343628 292784564 /nfs/dbraw/zinc/78/45/64/292784564.db2.gz DQWLDZKJUPFVMA-UHFFFAOYSA-N 0 0 292.379 1.833 10 70 CDIERN C[C@@H](CC(=O)c1cccs1)NC(=O)Cn1ccnc1 ZINC000160950995 292796726 /nfs/dbraw/zinc/79/67/26/292796726.db2.gz SOPIAYDRLPDDGA-JTQLQIEISA-N 0 0 277.349 1.722 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)N[C@H](CCO)C(C)C ZINC000160959598 292797456 /nfs/dbraw/zinc/79/74/56/292797456.db2.gz YYPSAQPOYAXBJF-LLVKDONJSA-N 0 0 297.355 1.007 10 70 CDIERN CCOC[C@H](O)CN[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000161283863 292803315 /nfs/dbraw/zinc/80/33/15/292803315.db2.gz UNFLGZFILOHBMT-GXTWGEPZSA-N 0 0 290.367 1.315 10 70 CDIERN O=C(NCCNC(=O)C1CC1)c1ccc2c(c1)CCCN2 ZINC000160760428 482823752 /nfs/dbraw/zinc/82/37/52/482823752.db2.gz MMIYGEDAKYFCJF-UHFFFAOYSA-N 0 0 287.363 1.301 10 70 CDIERN CCOC(=O)CN1CCC[C@H](c2nncn2CC)C1 ZINC000161423196 520777818 /nfs/dbraw/zinc/77/78/18/520777818.db2.gz LUQICOHIPRYOKA-NSHDSACASA-N 0 0 266.345 1.041 10 70 CDIERN Cc1c(C=CC(=O)N2CCC[C@H](c3cc[nH]n3)C2)cnn1C ZINC000161250866 525514474 /nfs/dbraw/zinc/51/44/74/525514474.db2.gz KRJLBVIHOARKDS-GJBLVYBDSA-N 0 0 299.378 1.871 10 70 CDIERN CCOc1ccc(OCC(=O)NC2(CO)CC2)cc1 ZINC000160499791 528563551 /nfs/dbraw/zinc/56/35/51/528563551.db2.gz GIZQBCUTOANYKW-UHFFFAOYSA-N 0 0 265.309 1.105 10 70 CDIERN CO[C@H](CNC(=O)c1cnc2c(c1)ncn2C)C(C)(C)C ZINC000159927137 361946003 /nfs/dbraw/zinc/94/60/03/361946003.db2.gz FQSFPWDPFDBICP-GFCCVEGCSA-N 0 0 290.367 1.759 10 70 CDIERN O=C(C[C@@H]1CCOc2ccccc21)NC1(CO)CC1 ZINC000160267401 539115754 /nfs/dbraw/zinc/11/57/54/539115754.db2.gz WHYRAYFPXFMQTC-NSHDSACASA-N 0 0 261.321 1.584 10 70 CDIERN C[C@@H](CC(=O)N1CCS(=O)(=O)[C@H](C)C1)c1ccncc1 ZINC000160571690 539116059 /nfs/dbraw/zinc/11/60/59/539116059.db2.gz RSZDVGRZKLZWCU-NWDGAFQWSA-N 0 0 296.392 1.221 10 70 CDIERN CC(C)Cn1ccnc(NCC(=O)NC(C)(C)C)c1=O ZINC000159939921 362381191 /nfs/dbraw/zinc/38/11/91/362381191.db2.gz IIMPOETYTNFRBM-UHFFFAOYSA-N 0 0 280.372 1.226 10 70 CDIERN CN(Cc1nsc(N(C)C)n1)C[C@@H]1CCCOC1 ZINC000160094741 530032497 /nfs/dbraw/zinc/03/24/97/530032497.db2.gz UJVCQTFCCKRENN-JTQLQIEISA-N 0 0 270.402 1.463 10 70 CDIERN Cc1ccc([S@@](=O)C[C@@H](C)CS(C)(=O)=O)cc1 ZINC000161034229 362501897 /nfs/dbraw/zinc/50/18/97/362501897.db2.gz ZTLIHJANNFHZIV-BDJLRTHQSA-N 0 0 274.407 1.783 10 70 CDIERN Cc1cccc([S@](=O)C[C@H](C)CS(C)(=O)=O)c1 ZINC000161068053 362546628 /nfs/dbraw/zinc/54/66/28/362546628.db2.gz WKHYOCSRCNBTGQ-ZBEGNZNMSA-N 0 0 274.407 1.783 10 70 CDIERN CCCCn1ncc(NC(=O)NCC[C@@H](C)O)c1C ZINC000159671680 363181290 /nfs/dbraw/zinc/18/12/90/363181290.db2.gz CYQJYTUURJQABV-SNVBAGLBSA-N 0 0 268.361 1.884 10 70 CDIERN CNC(=O)[C@H]1CCCN1C(=O)Cc1nc(C)sc1C ZINC000159477620 188427432 /nfs/dbraw/zinc/42/74/32/188427432.db2.gz NKGRTTZESWRZQI-LLVKDONJSA-N 0 0 281.381 1.039 10 70 CDIERN CC(C)COCCCNC(=O)N(C[C@@H](C)O)C(C)C ZINC000159410877 358487952 /nfs/dbraw/zinc/48/79/52/358487952.db2.gz MUIISDADZVCUGT-CYBMUJFWSA-N 0 0 274.405 1.850 10 70 CDIERN Cc1cc(NC(=O)[C@@H](C)C2CCOCC2)c[nH]c1=O ZINC000159848141 363377866 /nfs/dbraw/zinc/37/78/66/363377866.db2.gz QFZSCADOSHVGTM-JTQLQIEISA-N 0 0 264.325 1.685 10 70 CDIERN C[C@@H](Oc1cccc(CO)c1)C(=O)N1CCOC(C)(C)C1 ZINC000159989402 363548533 /nfs/dbraw/zinc/54/85/33/363548533.db2.gz CIUWQIAKWBIGBO-GFCCVEGCSA-N 0 0 293.363 1.584 10 70 CDIERN COc1ncccc1N(C)S(=O)(=O)c1cccnc1 ZINC000160045658 363620894 /nfs/dbraw/zinc/62/08/94/363620894.db2.gz ZFPNVECSDCGJHL-UHFFFAOYSA-N 0 0 279.321 1.310 10 70 CDIERN COCCC1(CNC(=O)N(C[C@@H](C)O)C(C)C)CC1 ZINC000161131049 237193433 /nfs/dbraw/zinc/19/34/33/237193433.db2.gz GCNFUUDOISDGBP-GFCCVEGCSA-N 0 0 272.389 1.604 10 70 CDIERN C[C@@H](Cc1cccc(F)c1)C(=O)NC1(CO)CC1 ZINC000160207572 363757165 /nfs/dbraw/zinc/75/71/65/363757165.db2.gz UGDSXAXHHFYLTI-JTQLQIEISA-N 0 0 251.301 1.645 10 70 CDIERN Cc1cc(NS(=O)(=O)N2CCC[C@@H](C)C2)c[nH]c1=O ZINC000160474468 363901943 /nfs/dbraw/zinc/90/19/43/363901943.db2.gz RJTLSLGFZRKZDS-SECBINFHSA-N 0 0 285.369 1.072 10 70 CDIERN CCO[C@H](C)C(=O)N1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000159398428 364199339 /nfs/dbraw/zinc/19/93/39/364199339.db2.gz PINGUTOXRTYFRX-AGIUHOORSA-N 0 0 297.351 1.356 10 70 CDIERN C[C@H](NC(=O)C1CC2(C1)NC(=O)NC2=O)C1CCCCC1 ZINC000159689056 364250880 /nfs/dbraw/zinc/25/08/80/364250880.db2.gz PTXWEICKISDVPQ-IEBVAXJPSA-N 0 0 293.367 1.060 10 70 CDIERN C[C@@H](NC(=O)c1cccc(-c2nc[nH]n2)c1)[C@@H]1CCCO1 ZINC000160275316 364327203 /nfs/dbraw/zinc/32/72/03/364327203.db2.gz BOWVDWZHWYYMKK-MFKMUULPSA-N 0 0 286.335 1.769 10 70 CDIERN CC1(C)CN(C(=O)Cc2cccc(F)c2)CCS1(=O)=O ZINC000160100923 364306062 /nfs/dbraw/zinc/30/60/62/364306062.db2.gz LSIFGRHPDBOULF-UHFFFAOYSA-N 0 0 299.367 1.404 10 70 CDIERN Cc1cc(C[C@H](C)NC(=O)C2=C(C)OCCC2)[nH]n1 ZINC000160157042 364312343 /nfs/dbraw/zinc/31/23/43/364312343.db2.gz ODRRWASRWGPPJL-VIFPVBQESA-N 0 0 263.341 1.850 10 70 CDIERN O=C(NCCCN1CCCC1=O)c1ccnc(Cl)c1F ZINC000160723199 364399585 /nfs/dbraw/zinc/39/95/85/364399585.db2.gz GTNHJIGNPJYNLL-UHFFFAOYSA-N 0 0 299.733 1.616 10 70 CDIERN CCN(Cc1ccccc1)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000161053795 364443359 /nfs/dbraw/zinc/44/33/59/364443359.db2.gz MVHKCHBJHWADDU-AWEZNQCLSA-N 0 0 299.378 1.825 10 70 CDIERN Cc1cc(C[C@@H](C)NC(=O)CNC(=O)CC(C)(C)C)[nH]n1 ZINC000161071504 364443885 /nfs/dbraw/zinc/44/38/85/364443885.db2.gz ACDAVYGCZAZNFP-SNVBAGLBSA-N 0 0 294.399 1.318 10 70 CDIERN Cc1cc(C[C@@H](C)NC(=O)c2ccnc(F)c2)[nH]n1 ZINC000161135077 364451638 /nfs/dbraw/zinc/45/16/38/364451638.db2.gz QACOUKROEUUKJC-MRVPVSSYSA-N 0 0 262.288 1.613 10 70 CDIERN Cc1cc(C[C@H](C)NC(=O)[C@@H](C)OC[C@@H]2CCCO2)[nH]n1 ZINC000161402524 364487849 /nfs/dbraw/zinc/48/78/49/364487849.db2.gz ZPXFVJTXLFZGSY-SUHUHFCYSA-N 0 0 295.383 1.349 10 70 CDIERN NC(=O)CN1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161137443 367250079 /nfs/dbraw/zinc/25/00/79/367250079.db2.gz KLHPPJXIDWLTSI-WDEREUQCSA-N 0 0 288.269 1.298 10 70 CDIERN C[C@]1(O)CCCN(C(=O)N[C@H]2COc3ccccc32)C1 ZINC000161296118 368372411 /nfs/dbraw/zinc/37/24/11/368372411.db2.gz JYXNRBOXAXULIX-WFASDCNBSA-N 0 0 276.336 1.677 10 70 CDIERN COc1cc(C)cc(C(=O)NCC2(CCO)CCC2)c1O ZINC000160149833 533619531 /nfs/dbraw/zinc/61/95/31/533619531.db2.gz LLWHJEUULLLTMP-UHFFFAOYSA-N 0 0 293.363 1.992 10 70 CDIERN CCc1cc(C(=O)N2CCCN(C(N)=O)CC2)oc1CC ZINC000159809415 139905456 /nfs/dbraw/zinc/90/54/56/139905456.db2.gz MNZITVMGGHYBDI-UHFFFAOYSA-N 0 0 293.367 1.631 10 70 CDIERN OC[C@H]1CN(c2ccnc3c(F)cc(F)cc23)CCO1 ZINC000159871617 139906250 /nfs/dbraw/zinc/90/62/50/139906250.db2.gz OHGJMAJWCYXFLL-SNVBAGLBSA-N 0 0 280.274 1.711 10 70 CDIERN Cc1ccc(-c2cc(C(=O)NC3(CO)CC3)[nH]n2)cc1 ZINC000160329833 292783909 /nfs/dbraw/zinc/78/39/09/292783909.db2.gz KBTJWDLZPFQXTI-UHFFFAOYSA-N 0 0 271.320 1.640 10 70 CDIERN O=C(Nc1ccccc1)N1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000160702341 482818997 /nfs/dbraw/zinc/81/89/97/482818997.db2.gz GXYZESURJOUEHP-DGCLKSJQSA-N 0 0 273.336 1.819 10 70 CDIERN CCCC(=O)NCC(=O)N[C@H]1CCOC2(CCCCC2)C1 ZINC000160598222 519872326 /nfs/dbraw/zinc/87/23/26/519872326.db2.gz SWAKKMFEJKYUBR-ZDUSSCGKSA-N 0 0 296.411 1.901 10 70 CDIERN CCc1nnc(CN[C@@H](c2nnc3ccccn32)C(C)C)[nH]1 ZINC000160550710 522348035 /nfs/dbraw/zinc/34/80/35/522348035.db2.gz YWOYMMQMZZQRAO-CQSZACIVSA-N 0 0 299.382 1.897 10 70 CDIERN CC[C@H](O)CCNC(=O)NC1CCN(C(=O)C(C)C)CC1 ZINC000160938276 522792946 /nfs/dbraw/zinc/79/29/46/522792946.db2.gz FMGLNTMUNKNTSZ-ZDUSSCGKSA-N 0 0 299.415 1.094 10 70 CDIERN C[C@@H](CO)N(C)S(=O)(=O)c1cccc2ncccc21 ZINC000160954232 524789196 /nfs/dbraw/zinc/78/91/96/524789196.db2.gz KSXNXQDVDLBDTP-JTQLQIEISA-N 0 0 280.349 1.236 10 70 CDIERN COCCOc1ncccc1NC(=O)NC1CC=CC1 ZINC000159842281 539114773 /nfs/dbraw/zinc/11/47/73/539114773.db2.gz SNGXQWRDTSSUFV-UHFFFAOYSA-N 0 0 277.324 1.947 10 70 CDIERN COC1(CNC(=O)[C@H](C)C2CCOCC2)CCOCC1 ZINC000161015034 539117089 /nfs/dbraw/zinc/11/70/89/539117089.db2.gz IMYVSIREIYPUSF-GFCCVEGCSA-N 0 0 285.384 1.361 10 70 CDIERN CC(C)(C)NC(=O)Cn1nc(C2CC2)nc1C1CC1 ZINC000161430272 539117759 /nfs/dbraw/zinc/11/77/59/539117759.db2.gz CCGUIODSFJKYEK-UHFFFAOYSA-N 0 0 262.357 1.948 10 70 CDIERN O=S(=O)(C[C@H]1Cc2ccccc2O1)C1CCOCC1 ZINC000160026090 362004504 /nfs/dbraw/zinc/00/45/04/362004504.db2.gz OGVBUQPLKUJPAX-GFCCVEGCSA-N 0 0 282.361 1.584 10 70 CDIERN COCc1ccc(C(=O)Nc2cccc(-n3cnnn3)c2)o1 ZINC000160136765 362036964 /nfs/dbraw/zinc/03/69/64/362036964.db2.gz CJVSRTPPVSENSJ-UHFFFAOYSA-N 0 0 299.290 1.654 10 70 CDIERN O=C(NCC[C@H]1CCCO1)c1ccnc(-n2cccn2)c1 ZINC000159401958 344880346 /nfs/dbraw/zinc/88/03/46/344880346.db2.gz YSDJMYAAKJTBST-CYBMUJFWSA-N 0 0 286.335 1.566 10 70 CDIERN CC[C@H](NS(=O)(=O)c1cccnc1)c1nccs1 ZINC000159987018 345339879 /nfs/dbraw/zinc/33/98/79/345339879.db2.gz UPUFAMZMMIQAHM-JTQLQIEISA-N 0 0 283.378 1.968 10 70 CDIERN COc1ccc(/C=C(/C)C(=O)N[C@H](C)C(N)=O)cc1F ZINC000159527040 188430185 /nfs/dbraw/zinc/43/01/85/188430185.db2.gz IRHAUOXBAVRBKL-JGAIRUGNSA-N 0 0 280.299 1.228 10 70 CDIERN CCN(CC)C(=O)C(=O)Nc1ncn(C2CCCCC2)n1 ZINC000160157397 188458206 /nfs/dbraw/zinc/45/82/06/188458206.db2.gz YWKLIYJMCMZJMF-UHFFFAOYSA-N 0 0 293.371 1.590 10 70 CDIERN O=C(Nc1cc(F)cc(F)c1F)N1CCOCC1 ZINC000160521860 188478393 /nfs/dbraw/zinc/47/83/93/188478393.db2.gz BKELARZZEDRNCQ-UHFFFAOYSA-N 0 0 260.215 1.968 10 70 CDIERN CCc1cnc(CNC(=O)C[C@@H](O)C(C)C)s1 ZINC000161220220 188515308 /nfs/dbraw/zinc/51/53/08/188515308.db2.gz CXFLSKWYKVHOCX-SNVBAGLBSA-N 0 0 256.371 1.729 10 70 CDIERN CC[C@H](C)OCC(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000159997279 363562981 /nfs/dbraw/zinc/56/29/81/363562981.db2.gz FAAGQQDVMSYEHH-STQMWFEESA-N 0 0 256.390 1.744 10 70 CDIERN CC[C@H](C)[C@@H](O)CNC(=O)[C@@H](C)Oc1cccc(CO)c1 ZINC000160037637 363601137 /nfs/dbraw/zinc/60/11/37/363601137.db2.gz GHWAMYNSROOCPU-ZOWXZIJZSA-N 0 0 295.379 1.469 10 70 CDIERN CC1(C)CN(C(=O)CCC(F)(F)F)CCS1(=O)=O ZINC000160072079 363642811 /nfs/dbraw/zinc/64/28/11/363642811.db2.gz HDKJLODFWGQWSP-UHFFFAOYSA-N 0 0 287.303 1.365 10 70 CDIERN Cc1ccc(OCCC(=O)NC2(CO)CC2)c(C)c1 ZINC000159843663 237161876 /nfs/dbraw/zinc/16/18/76/237161876.db2.gz GJLRYRSPIQYCIT-UHFFFAOYSA-N 0 0 263.337 1.713 10 70 CDIERN CC[C@@H](NC(=O)C[C@@H](C)c1ccncc1)C(=O)OC ZINC000161083622 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363847379 /nfs/dbraw/zinc/84/73/79/363847379.db2.gz QYWQGKRHPWYGRL-SNVBAGLBSA-N 0 0 282.427 1.415 10 70 CDIERN Cc1nc(CN2CCOC[C@@H]2C[C@H](O)c2ccco2)no1 ZINC000159493081 364218299 /nfs/dbraw/zinc/21/82/99/364218299.db2.gz JINMKIJXQIGEGU-RYUDHWBXSA-N 0 0 293.323 1.296 10 70 CDIERN CNS(=O)(=O)CC(=O)N[C@@H]1CC[C@H](C)c2ccccc21 ZINC000159565829 364235398 /nfs/dbraw/zinc/23/53/98/364235398.db2.gz AMNZAKUHDSPAMA-GXFFZTMASA-N 0 0 296.392 1.290 10 70 CDIERN COc1cccc(O[C@H](C)CNC(=O)C[C@H](O)C(C)C)c1 ZINC000161104688 364447834 /nfs/dbraw/zinc/44/78/34/364447834.db2.gz QOXATGHWCQBJSR-DOMZBBRYSA-N 0 0 295.379 1.986 10 70 CDIERN O=C(Nc1c(F)cccc1F)N[C@H]1CCc2ncnn2C1 ZINC000161107015 364450106 /nfs/dbraw/zinc/45/01/06/364450106.db2.gz CGXIVUSBCBVAEB-QMMMGPOBSA-N 0 0 293.277 1.693 10 70 CDIERN O=C(c1ccc(F)nc1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000160537786 296218716 /nfs/dbraw/zinc/21/87/16/296218716.db2.gz JNSQEPZILQGPGE-SWLSCSKDSA-N 0 0 278.327 1.988 10 70 CDIERN CSC[C@H](C)NC(=O)c1cnc2c(c1)ncn2C ZINC000160559671 377087591 /nfs/dbraw/zinc/08/75/91/377087591.db2.gz GOLRUMDKFVXXOH-QMMMGPOBSA-N 0 0 264.354 1.450 10 70 CDIERN CCN(CCc1nccs1)CCS(=O)(=O)C(C)C ZINC000159373056 390975167 /nfs/dbraw/zinc/97/51/67/390975167.db2.gz FREAFMOQCAJTRG-UHFFFAOYSA-N 0 0 290.454 1.831 10 70 CDIERN C[C@@H](NC(N)=O)C(=O)N[C@H]1CCCc2sccc21 ZINC000160012167 147706230 /nfs/dbraw/zinc/70/62/30/147706230.db2.gz UCEAXVVTEHRPDW-APPZFPTMSA-N 0 0 267.354 1.299 10 70 CDIERN CCOCCN1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000159623594 286091416 /nfs/dbraw/zinc/09/14/16/286091416.db2.gz ITKHUHYRMNEUAZ-OLZOCXBDSA-N 0 0 269.341 1.440 10 70 CDIERN COC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000161034361 270241832 /nfs/dbraw/zinc/24/18/32/270241832.db2.gz HMUPXVIXGOZEMX-CMPLNLGQSA-N 0 0 251.257 1.518 10 70 CDIERN COC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000161034098 270241835 /nfs/dbraw/zinc/24/18/35/270241835.db2.gz HMUPXVIXGOZEMX-ZYHUDNBSSA-N 0 0 251.257 1.518 10 70 CDIERN C[C@@H]1CN(c2nnc(C(C)(C)C)s2)CCS1(=O)=O 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ZINC000161246422 520946466 /nfs/dbraw/zinc/94/64/66/520946466.db2.gz ZOVJWAYRFSCEML-LLVKDONJSA-N 0 0 263.345 1.034 10 70 CDIERN CCC[C@H](NC(=O)[C@@H]1CCCO1)C(=O)OC(C)(C)C ZINC000161384136 521136831 /nfs/dbraw/zinc/13/68/31/521136831.db2.gz UIHLEENOYMNDJA-QWRGUYRKSA-N 0 0 271.357 1.792 10 70 CDIERN CC(C)(C)OC(=O)CN1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160823635 518790581 /nfs/dbraw/zinc/79/05/81/518790581.db2.gz JEIWQAVFADLTNC-DOMZBBRYSA-N 0 0 269.385 1.955 10 70 CDIERN CC(C)CN(C(=O)N[C@H]1CCc2ncnn2C1)C1CC1 ZINC000161023896 519706190 /nfs/dbraw/zinc/70/61/90/519706190.db2.gz KGPHHCRBSXVHAK-NSHDSACASA-N 0 0 277.372 1.423 10 70 CDIERN CCCC(C)(C)NC(=O)N[C@H]1CCc2ncnn2C1 ZINC000161241967 519882324 /nfs/dbraw/zinc/88/23/24/519882324.db2.gz NPWMRWUFGKOJJN-JTQLQIEISA-N 0 0 265.361 1.471 10 70 CDIERN CCOCCNC(=O)[C@@H](CC)c1c(C)noc1C ZINC000160492925 519962658 /nfs/dbraw/zinc/96/26/58/519962658.db2.gz XRVYRXGNEVCTGU-NSHDSACASA-N 0 0 254.330 1.938 10 70 CDIERN CCCCNC(=O)CN1CCC[C@H](c2nncn2CC)C1 ZINC000161319033 520615502 /nfs/dbraw/zinc/61/55/02/520615502.db2.gz CSLGLZQYPGMRQK-ZDUSSCGKSA-N 0 0 293.415 1.394 10 70 CDIERN CCCCOC(=O)CN1CCOC[C@H]1c1nc(C)no1 ZINC000160912682 520708619 /nfs/dbraw/zinc/70/86/19/520708619.db2.gz BFJGWZXWXJDXNO-NSHDSACASA-N 0 0 283.328 1.095 10 70 CDIERN CCC[C@@H](NC(=O)[C@H]1CCCO1)C(=O)OC(C)(C)C ZINC000161463452 520751138 /nfs/dbraw/zinc/75/11/38/520751138.db2.gz UIHLEENOYMNDJA-GHMZBOCLSA-N 0 0 271.357 1.792 10 70 CDIERN CSCC[C@@H](C)N(C)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000161191976 525522540 /nfs/dbraw/zinc/52/25/40/525522540.db2.gz YUQLDQWEFVAHGI-MNOVXSKESA-N 0 0 297.428 1.376 10 70 CDIERN CS[C@@H](C)CNC(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000160605890 525805228 /nfs/dbraw/zinc/80/52/28/525805228.db2.gz ZVZXRBQQJGCJFZ-VHSXEESVSA-N 0 0 297.428 1.726 10 70 CDIERN c1csc([C@H]2CN(C[C@@H]3CCCO3)CCO2)n1 ZINC000161442248 526589545 /nfs/dbraw/zinc/58/95/45/526589545.db2.gz ZIQDQFPQRSBHBZ-WDEREUQCSA-N 0 0 254.355 1.695 10 70 CDIERN CCOCCOCC(=O)N[C@@H]1CCOC2(CCCC2)C1 ZINC000159868024 361887684 /nfs/dbraw/zinc/88/76/84/361887684.db2.gz BVQFZIMIUYLDLN-CYBMUJFWSA-N 0 0 285.384 1.648 10 70 CDIERN CCCOC(=O)[C@H](C)N1CCC(n2cncn2)CC1 ZINC000159910387 361924516 /nfs/dbraw/zinc/92/45/16/361924516.db2.gz VVXXCRQFTOYGGE-NSHDSACASA-N 0 0 266.345 1.257 10 70 CDIERN COc1cc(CCNC(=O)[C@H]2CC[C@@H](C)O2)ccc1O ZINC000159767471 539114683 /nfs/dbraw/zinc/11/46/83/539114683.db2.gz LOCHKSOZHZZBNG-ZWNOBZJWSA-N 0 0 279.336 1.627 10 70 CDIERN CCC1(C(=O)N2CCC(OCCCO)CC2)CCC1 ZINC000160071363 539115379 /nfs/dbraw/zinc/11/53/79/539115379.db2.gz IGWIPHCPOZRUAC-UHFFFAOYSA-N 0 0 269.385 1.957 10 70 CDIERN C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)Cc1cc[nH]n1 ZINC000160490701 539115966 /nfs/dbraw/zinc/11/59/66/539115966.db2.gz CJRKHTKOCUWCDY-NSHDSACASA-N 0 0 273.336 1.747 10 70 CDIERN COC1(CNC(=O)[C@@H](C)C2CCOCC2)CCOCC1 ZINC000161014927 539117055 /nfs/dbraw/zinc/11/70/55/539117055.db2.gz IMYVSIREIYPUSF-LBPRGKRZSA-N 0 0 285.384 1.361 10 70 CDIERN Cc1cc(C[C@@H](C)NC(=O)[C@@H](C)OCC2CC2)[nH]n1 ZINC000161402912 539117727 /nfs/dbraw/zinc/11/77/27/539117727.db2.gz UZKJLPDJVARBDB-MWLCHTKSSA-N 0 0 265.357 1.580 10 70 CDIERN COc1ccc(F)c(NC(=O)N[C@@H]2CCOC2)c1 ZINC000159404316 362319184 /nfs/dbraw/zinc/31/91/84/362319184.db2.gz USRZINIBSJUTKP-MRVPVSSYSA-N 0 0 254.261 1.745 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)NCC1(C2CC2)CC1 ZINC000161160161 362703779 /nfs/dbraw/zinc/70/37/79/362703779.db2.gz KYDTVPZGRRAJFM-UHFFFAOYSA-N 0 0 291.351 1.790 10 70 CDIERN O=C(CCCn1cccc1)NCC1(CCO)CCC1 ZINC000160171982 363714429 /nfs/dbraw/zinc/71/44/29/363714429.db2.gz YJMXRUXXWJCHMT-UHFFFAOYSA-N 0 0 264.369 1.937 10 70 CDIERN COCCS(=O)(=O)NC[C@H](C)c1ccc(C)cc1 ZINC000159691745 364253190 /nfs/dbraw/zinc/25/31/90/364253190.db2.gz WGAXORAYBCGEIS-LBPRGKRZSA-N 0 0 271.382 1.664 10 70 CDIERN CNC(=O)c1ccc(N[C@@H]2CCO[C@H](C3CC3)C2)nn1 ZINC000160444683 364354036 /nfs/dbraw/zinc/35/40/36/364354036.db2.gz HPHASOCWMNQWIF-PWSUYJOCSA-N 0 0 276.340 1.206 10 70 CDIERN Cc1cscc1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160588296 364379618 /nfs/dbraw/zinc/37/96/18/364379618.db2.gz KYIWVYZXLFOZRS-LBPRGKRZSA-N 0 0 282.409 1.633 10 70 CDIERN CC(C)C[C@@H]1CCCN(C(=O)[C@H]2COCCN2)C1 ZINC000161472024 375465871 /nfs/dbraw/zinc/46/58/71/375465871.db2.gz KXLGWTAZJZHCLE-QWHCGFSZSA-N 0 0 254.374 1.260 10 70 CDIERN C[C@H](CO)N(C)C(=O)c1cc(N2CCCC2=O)ccc1F ZINC000160559107 377086776 /nfs/dbraw/zinc/08/67/76/377086776.db2.gz DTPFJAWALWOFBW-SNVBAGLBSA-N 0 0 294.326 1.405 10 70 CDIERN C[C@@H](C(=O)N[C@@H](C)C(=O)OC(C)(C)C)C1CCOCC1 ZINC000160704516 377096175 /nfs/dbraw/zinc/09/61/75/377096175.db2.gz MCTQSVUOBMLFPS-MNOVXSKESA-N 0 0 285.384 1.896 10 70 CDIERN Cc1ccc(NC(=O)N[C@@H](C(N)=O)C(C)C)s1 ZINC000161128313 377158900 /nfs/dbraw/zinc/15/89/00/377158900.db2.gz FGGWBPQGIQAILY-SECBINFHSA-N 0 0 255.343 1.688 10 70 CDIERN O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)NC1(CO)CC1 ZINC000161237663 377502669 /nfs/dbraw/zinc/50/26/69/377502669.db2.gz QJJUOFIEADHERL-UHFFFAOYSA-N 0 0 291.229 1.040 10 70 CDIERN C[C@@H](CO)N(C)C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000160439232 390979124 /nfs/dbraw/zinc/97/91/24/390979124.db2.gz YNAVCFBWXCWCKT-ZWKOPEQDSA-N 0 0 251.301 1.768 10 70 CDIERN C[C@H]1CCC[C@H](C)N(C(=O)CNC(=O)c2cccnc2)C1 ZINC000159497051 292760405 /nfs/dbraw/zinc/76/04/05/292760405.db2.gz OXROBMDJXZDHPL-STQMWFEESA-N 0 0 289.379 1.849 10 70 CDIERN CC(=O)Nc1cccc(NC(=O)NC2(CO)CC2)c1 ZINC000160370758 292785721 /nfs/dbraw/zinc/78/57/21/292785721.db2.gz UFBQCXTVBIRDIX-UHFFFAOYSA-N 0 0 263.297 1.291 10 70 CDIERN CC(C)N(C[C@@H](C)O)C(=O)NC[C@H]1Cc2ccccc2O1 ZINC000160476252 292787540 /nfs/dbraw/zinc/78/75/40/292787540.db2.gz PXMFKCIXVKTSKF-TZMCWYRMSA-N 0 0 292.379 1.791 10 70 CDIERN Cc1cc(C(=O)N2CCNC(=O)C2)c(Cl)cc1F ZINC000161353123 292804599 /nfs/dbraw/zinc/80/45/99/292804599.db2.gz LOMHNDXPAUJRIF-UHFFFAOYSA-N 0 0 270.691 1.360 10 70 CDIERN O=C(Nc1ccccc1)N1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000160702710 482819144 /nfs/dbraw/zinc/81/91/44/482819144.db2.gz GXYZESURJOUEHP-AAEUAGOBSA-N 0 0 273.336 1.819 10 70 CDIERN C[C@@H]1CC[C@@H](C(=O)N2CCN(c3ccccc3O)CC2)O1 ZINC000159553366 534130393 /nfs/dbraw/zinc/13/03/93/534130393.db2.gz GGLNYLSRFHFGER-DOMZBBRYSA-N 0 0 290.363 1.608 10 70 CDIERN CCCN1C(=O)N=NC1S(=O)(=O)Cc1ccccc1C ZINC000160918101 521633107 /nfs/dbraw/zinc/63/31/07/521633107.db2.gz CKRMBXNCEMEFBQ-UHFFFAOYSA-N 0 0 295.364 1.676 10 70 CDIERN COc1ccc(C)cc1CC(=O)N[C@@H](C)[C@@H](C)CO ZINC000160367414 523805037 /nfs/dbraw/zinc/80/50/37/523805037.db2.gz GAFFRTRRKVOMJY-RYUDHWBXSA-N 0 0 265.353 1.679 10 70 CDIERN Cc1ccc(N2C[C@@H](C(=O)N(C)[C@@H](C)CO)CC2=O)cc1 ZINC000160541609 524977074 /nfs/dbraw/zinc/97/70/74/524977074.db2.gz RESCTSPELZIIQK-STQMWFEESA-N 0 0 290.363 1.187 10 70 CDIERN COc1ccc2c(c1)OC[C@@H](C(=O)N(C)[C@@H](C)CO)C2 ZINC000160528049 525560185 /nfs/dbraw/zinc/56/01/85/525560185.db2.gz PTTSOTPDCFKSNA-JQWIXIFHSA-N 0 0 279.336 1.086 10 70 CDIERN O=C(c1ccc[nH]c1=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000161456386 526822528 /nfs/dbraw/zinc/82/25/28/526822528.db2.gz 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ARGAUEPVWFPARC-CMPLNLGQSA-N 0 0 267.373 1.971 10 70 CDIERN COc1ccc(Cn2cnc(C(C)C)cc2=O)cn1 ZINC000160811910 364412264 /nfs/dbraw/zinc/41/22/64/364412264.db2.gz ZKAYSUVNXKOWGH-UHFFFAOYSA-N 0 0 259.309 1.819 10 70 CDIERN CCOC(=O)c1cccc(OS(C)(=O)=O)c1C ZINC000217962174 375767999 /nfs/dbraw/zinc/76/79/99/375767999.db2.gz AUAONGVFJLGXIE-UHFFFAOYSA-N 0 0 258.295 1.510 10 70 CDIERN CCc1ncsc1C(=O)NCC[C@@H](O)C(C)C ZINC000160835998 377120041 /nfs/dbraw/zinc/12/00/41/377120041.db2.gz NCIMVQZHQIVOFS-SNVBAGLBSA-N 0 0 256.371 1.842 10 70 CDIERN O=C(NCCc1ccsc1)N[C@@H]1CCc2n[nH]cc2C1 ZINC000159858441 139906542 /nfs/dbraw/zinc/90/65/42/139906542.db2.gz LFPDQTNJWMWDLI-GFCCVEGCSA-N 0 0 290.392 1.870 10 70 CDIERN CC(C)c1noc(CCCNC(=O)N2CCOC[C@@H]2C)n1 ZINC000161187994 264272649 /nfs/dbraw/zinc/27/26/49/264272649.db2.gz OSQQCISOQOIELQ-NSHDSACASA-N 0 0 296.371 1.556 10 70 CDIERN O=C(Cc1ccccc1OC(F)F)NC1(CO)CC1 ZINC000160281140 292782598 /nfs/dbraw/zinc/78/25/98/292782598.db2.gz IQUUPBBUQOQEBI-UHFFFAOYSA-N 0 0 271.263 1.472 10 70 CDIERN C[C@@]1(C(=O)N2CC[C@@H](C(N)=O)C2)CCCc2ccccc21 ZINC000160481668 292787774 /nfs/dbraw/zinc/78/77/74/292787774.db2.gz DWDJUCBEPRSXLX-CXAGYDPISA-N 0 0 286.375 1.614 10 70 CDIERN CC(=O)c1cnc(NC(=O)c2nc(C)c(C)[nH]c2=O)s1 ZINC000160723431 292793712 /nfs/dbraw/zinc/79/37/12/292793712.db2.gz XPTHMWFSAFXXCA-UHFFFAOYSA-N 0 0 292.320 1.298 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)NC[C@]1(C)CCCO1 ZINC000161014547 292798039 /nfs/dbraw/zinc/79/80/39/292798039.db2.gz NWMJWXZWBREHLI-AWEZNQCLSA-N 0 0 295.339 1.169 10 70 CDIERN Cc1[nH]c(=O)ccc1C(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000160135157 293349420 /nfs/dbraw/zinc/34/94/20/293349420.db2.gz HPICOCBJJCAMOQ-CHWSQXEVSA-N 0 0 276.336 1.879 10 70 CDIERN CNc1ncc(C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)s1 ZINC000159388203 522699340 /nfs/dbraw/zinc/69/93/40/522699340.db2.gz RLRYUDZZPAVXAH-ZJUUUORDSA-N 0 0 281.381 1.872 10 70 CDIERN CCn1cc(C2CCN(CCS(C)(=O)=O)CC2)cn1 ZINC000160623349 523355450 /nfs/dbraw/zinc/35/54/50/523355450.db2.gz NUMRDRRIAJKLCY-UHFFFAOYSA-N 0 0 285.413 1.127 10 70 CDIERN C[C@H](CO)N(C)C(=O)C[C@H]1CCOc2ccccc21 ZINC000160454182 524533667 /nfs/dbraw/zinc/53/36/67/524533667.db2.gz FNLSYWVACFUFQQ-VXGBXAGGSA-N 0 0 263.337 1.782 10 70 CDIERN Cc1ccn(-c2ccccc2NC(=O)[C@H]2CNC(=O)C2)n1 ZINC000161332006 525568494 /nfs/dbraw/zinc/56/84/94/525568494.db2.gz FQYYAGIRQHKRIF-LLVKDONJSA-N 0 0 284.319 1.255 10 70 CDIERN c1csc([C@@H]2CN(C[C@@H]3CCCO3)CCO2)n1 ZINC000161442098 526586280 /nfs/dbraw/zinc/58/62/80/526586280.db2.gz ZIQDQFPQRSBHBZ-QWRGUYRKSA-N 0 0 254.355 1.695 10 70 CDIERN CCOCCC1(CNC(=O)Cc2ccon2)CCC1 ZINC000159587158 361736376 /nfs/dbraw/zinc/73/63/76/361736376.db2.gz CXRLJXJJGXCZGX-UHFFFAOYSA-N 0 0 266.341 1.930 10 70 CDIERN Cc1nn(CC(C)C)c(C)c1CC(=O)NC[C@H](O)C(C)C ZINC000159721788 361809988 /nfs/dbraw/zinc/80/99/88/361809988.db2.gz TVSBYBOOTYPTTA-HNNXBMFYSA-N 0 0 295.427 1.832 10 70 CDIERN CC(C)CC[C@](C)(O)CNC(=O)[C@@H]1CCCCO1 ZINC000159765409 361839186 /nfs/dbraw/zinc/83/91/86/361839186.db2.gz WQMDBMVSEWWOOG-JSGCOSHPSA-N 0 0 257.374 1.859 10 70 CDIERN Cc1ccc(NC(=O)N[C@@H]2CCC(=O)N(C)C2)cn1 ZINC000161334795 539117571 /nfs/dbraw/zinc/11/75/71/539117571.db2.gz HBCYSXAWHUIJLO-LLVKDONJSA-N 0 0 262.313 1.132 10 70 CDIERN CCc1ccc(CC(=O)NCc2ccnn2C)cc1 ZINC000160091984 362023321 /nfs/dbraw/zinc/02/33/21/362023321.db2.gz LPQPSJHZHRSDGX-UHFFFAOYSA-N 0 0 257.337 1.841 10 70 CDIERN Cn1ccnc1CN1CCC(c2ccnn2C)CC1 ZINC000160900659 362199589 /nfs/dbraw/zinc/19/95/89/362199589.db2.gz SIVUDWQITCJGPX-UHFFFAOYSA-N 0 0 259.357 1.533 10 70 CDIERN Cc1ccc(C(C)(C)CN(C)C(=O)[C@H]2COCCN2)cc1 ZINC000161255255 362258642 /nfs/dbraw/zinc/25/86/42/362258642.db2.gz MIHJQDLRJFFDKX-OAHLLOKOSA-N 0 0 290.407 1.719 10 70 CDIERN COc1ncccc1N(C)S(=O)(=O)c1cccs1 ZINC000160043724 345574498 /nfs/dbraw/zinc/57/44/98/345574498.db2.gz FYFZDTBMTHDYBY-UHFFFAOYSA-N 0 0 284.362 1.977 10 70 CDIERN CNC(=O)[C@@H]1CCCN1C(=O)N[C@H](C)c1ncc(C)s1 ZINC000159566334 188431800 /nfs/dbraw/zinc/43/18/00/188431800.db2.gz UVFSBXNRADBBDL-ZJUUUORDSA-N 0 0 296.396 1.433 10 70 CDIERN Cc1sc(-c2ccco2)nc1C(=O)NC1(CO)CC1 ZINC000159842501 237157804 /nfs/dbraw/zinc/15/78/04/237157804.db2.gz XSKYYFVFTCLQSR-UHFFFAOYSA-N 0 0 278.333 1.966 10 70 CDIERN O=C(c1cc[nH]c(=O)c1)N1CCO[C@@H](c2cccs2)C1 ZINC000161347853 237200858 /nfs/dbraw/zinc/20/08/58/237200858.db2.gz HUUQPCHSAZJFNB-LLVKDONJSA-N 0 0 290.344 1.650 10 70 CDIERN O=C(NC1(CO)CC1)c1ccn(-c2ccccc2F)n1 ZINC000160209969 363757907 /nfs/dbraw/zinc/75/79/07/363757907.db2.gz FNGOWQODXSCSMA-UHFFFAOYSA-N 0 0 275.283 1.266 10 70 CDIERN Cc1ccc(-c2nc(C(=O)NC3(CO)CC3)cs2)o1 ZINC000160316467 363813890 /nfs/dbraw/zinc/81/38/90/363813890.db2.gz UOCAYFSLNBLLTA-UHFFFAOYSA-N 0 0 278.333 1.966 10 70 CDIERN CC(C)N(C[C@@H](C)O)C(=O)NCc1cccc(C(N)=O)c1 ZINC000160336285 363822169 /nfs/dbraw/zinc/82/21/69/363822169.db2.gz QDLOWZUGADVOGO-LLVKDONJSA-N 0 0 293.367 1.086 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)N1CCCC1(C)C ZINC000160483380 363932414 /nfs/dbraw/zinc/93/24/14/363932414.db2.gz LXGFPLPUSQULPC-UHFFFAOYSA-N 0 0 279.340 1.885 10 70 CDIERN C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H](O)c1ccccc1 ZINC000159540669 364229983 /nfs/dbraw/zinc/22/99/83/364229983.db2.gz JQFIWSIMEWRILE-ZFWWWQNUSA-N 0 0 276.380 1.711 10 70 CDIERN CCc1cc(NC(=O)N[C@H](C)Cc2cc(C)n[nH]2)n(C)n1 ZINC000160422803 364351156 /nfs/dbraw/zinc/35/11/56/364351156.db2.gz PWRNVBJJOZADGD-SECBINFHSA-N 0 0 290.371 1.767 10 70 CDIERN CN(CCc1ccccc1)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000160971575 364434005 /nfs/dbraw/zinc/43/40/05/364434005.db2.gz YGYRGPISLMHCML-AWEZNQCLSA-N 0 0 299.378 1.477 10 70 CDIERN Cc1cc(C[C@@H](C)NC(=O)Cn2nc(C)cc2C)[nH]n1 ZINC000161122053 364452134 /nfs/dbraw/zinc/45/21/34/364452134.db2.gz DXWKTXRYDURNKT-SECBINFHSA-N 0 0 275.356 1.279 10 70 CDIERN CCCCO[C@@H](C)C(=O)N[C@H](C)Cc1cc(C)n[nH]1 ZINC000161145049 364454415 /nfs/dbraw/zinc/45/44/15/364454415.db2.gz ARGAUEPVWFPARC-PWSUYJOCSA-N 0 0 267.373 1.971 10 70 CDIERN CC1(NC(=O)c2cc(S(C)(=O)=O)cs2)CCC1 ZINC000161311729 364476128 /nfs/dbraw/zinc/47/61/28/364476128.db2.gz WQVKICAEMJICAD-UHFFFAOYSA-N 0 0 273.379 1.824 10 70 CDIERN COC(=O)CCCCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000161314166 377557574 /nfs/dbraw/zinc/55/75/74/377557574.db2.gz FTIRLICQWIBYFG-UHFFFAOYSA-N 0 0 292.379 1.821 10 70 CDIERN COCCOCC(=O)Nc1cc(C2CC2)nc(C)n1 ZINC000160035705 533054340 /nfs/dbraw/zinc/05/43/40/533054340.db2.gz PITIYDWAZOWQLS-UHFFFAOYSA-N 0 0 265.313 1.264 10 70 CDIERN COCCC1(CNC(=O)N(C)[C@H]2CCOC2)CC1 ZINC000160994807 533195369 /nfs/dbraw/zinc/19/53/69/533195369.db2.gz CMHDBLIIMCJWQB-NSHDSACASA-N 0 0 256.346 1.233 10 70 CDIERN CC(C)CNC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000217269538 140163968 /nfs/dbraw/zinc/16/39/68/140163968.db2.gz PRNXKKSAMPXALC-LLVKDONJSA-N 0 0 264.325 1.782 10 70 CDIERN Cc1ccc2c(c1)[C@H](NC(=O)[C@@H](NC(N)=O)C(C)C)CO2 ZINC000160235199 147714398 /nfs/dbraw/zinc/71/43/98/147714398.db2.gz JAJKWQVRBWDYSN-YPMHNXCESA-N 0 0 291.351 1.238 10 70 CDIERN CC[C@H]1CN(C(=O)c2cnc3c(c2)ncn3C)CCS1 ZINC000160659610 147720830 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292805303 /nfs/dbraw/zinc/80/53/03/292805303.db2.gz DOXFKGDRDKQZTO-TVQRCGJNSA-N 0 0 257.330 1.117 10 70 CDIERN CCCOC(=O)[C@@H](C)N1CCOC[C@@H]1c1nc(C)no1 ZINC000161199943 520216457 /nfs/dbraw/zinc/21/64/57/520216457.db2.gz MESZTBKLOHLCIZ-MWLCHTKSSA-N 0 0 283.328 1.093 10 70 CDIERN CCCN(CC1CC1)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000161054954 521621338 /nfs/dbraw/zinc/62/13/38/521621338.db2.gz ZGKBHUIUFXLAJY-GFCCVEGCSA-N 0 0 277.372 1.425 10 70 CDIERN CN(C)c1nc(CN2CCCSCC2)ns1 ZINC000161489132 522318182 /nfs/dbraw/zinc/31/81/82/522318182.db2.gz SHSCZNHJSIBLPH-UHFFFAOYSA-N 0 0 258.416 1.543 10 70 CDIERN COCCNC(=O)N1CCO[C@H](c2ccc(F)c(C)c2)C1 ZINC000160742072 523903120 /nfs/dbraw/zinc/90/31/20/523903120.db2.gz GSLHBHJNQNQUCR-AWEZNQCLSA-N 0 0 296.342 1.863 10 70 CDIERN CCN1CCO[C@@H](CNc2nnc(C(F)(F)F)s2)C1 ZINC000160171266 539115594 /nfs/dbraw/zinc/11/55/94/539115594.db2.gz VAIPGRVORSRKLR-ZETCQYMHSA-N 0 0 296.318 1.690 10 70 CDIERN Cc1ccc2c(CC(=O)NC3(CO)CC3)coc2c1 ZINC000160390246 539115836 /nfs/dbraw/zinc/11/58/36/539115836.db2.gz GKXAQPZFMQQLLN-UHFFFAOYSA-N 0 0 259.305 1.925 10 70 CDIERN Cc1nc2c([nH]1)C[C@H](C(=O)NCCCOC(C)C)CC2 ZINC000161489630 539117818 /nfs/dbraw/zinc/11/78/18/539117818.db2.gz GPZIXEBQHKYEKG-GFCCVEGCSA-N 0 0 279.384 1.754 10 70 CDIERN C[C@H](CC(=O)c1cccs1)NC(=O)Cn1ccnc1 ZINC000160951099 362234622 /nfs/dbraw/zinc/23/46/22/362234622.db2.gz SOPIAYDRLPDDGA-SNVBAGLBSA-N 0 0 277.349 1.722 10 70 CDIERN CN(C)C(=O)c1cc(N2CCCC2=O)ccc1F ZINC000159814947 345272361 /nfs/dbraw/zinc/27/23/61/345272361.db2.gz MIJKNZRQHIFNJZ-UHFFFAOYSA-N 0 0 250.273 1.654 10 70 CDIERN CC(C)N(C[C@H](C)O)C(=O)NCCCn1cccn1 ZINC000159983454 363552302 /nfs/dbraw/zinc/55/23/02/363552302.db2.gz SVASKXGFYNEYLG-LBPRGKRZSA-N 0 0 268.361 1.074 10 70 CDIERN Cn1cc([C@@H]2CCN(C(=O)C(F)(F)C3(O)CCC3)C2)cn1 ZINC000160327211 357565306 /nfs/dbraw/zinc/56/53/06/357565306.db2.gz MSCYGJNOZHWMRK-SNVBAGLBSA-N 0 0 299.321 1.286 10 70 CDIERN CCOCCCCNC(=O)C(=O)Nc1c(C)onc1CC ZINC000160197536 363737690 /nfs/dbraw/zinc/73/76/90/363737690.db2.gz FDVXYJPDZBMTJC-UHFFFAOYSA-N 0 0 297.355 1.417 10 70 CDIERN COCCC1(CNC(=O)NCC2(C)COC2)CCC1 ZINC000160420595 363861636 /nfs/dbraw/zinc/86/16/36/363861636.db2.gz QPIQRFPPTCRZFA-UHFFFAOYSA-N 0 0 270.373 1.529 10 70 CDIERN CCC[C@](C)(O)C(=O)N[C@H](C)Cc1cc(C)n[nH]1 ZINC000159697027 364252674 /nfs/dbraw/zinc/25/26/74/364252674.db2.gz HIYJESNLLARIGQ-RNCFNFMXSA-N 0 0 253.346 1.316 10 70 CDIERN Cc1cc(C[C@@H](C)NC(=O)C2=C(C)OCCC2)[nH]n1 ZINC000160156931 364312777 /nfs/dbraw/zinc/31/27/77/364312777.db2.gz ODRRWASRWGPPJL-SECBINFHSA-N 0 0 263.341 1.850 10 70 CDIERN Cc1ccc(N2C[C@H](C(=O)N(C)[C@H](C)CO)CC2=O)cc1 ZINC000160541736 364369288 /nfs/dbraw/zinc/36/92/88/364369288.db2.gz RESCTSPELZIIQK-CHWSQXEVSA-N 0 0 290.363 1.187 10 70 CDIERN Cn1c(=O)cccc1C(=O)N[C@H]1CCc2c1cccc2F ZINC000160972829 364434975 /nfs/dbraw/zinc/43/49/75/364434975.db2.gz IMGYHCDJXBMCMK-ZDUSSCGKSA-N 0 0 286.306 1.942 10 70 CDIERN C[C@H](C[S@](=O)c1ccc(Cl)cn1)CS(C)(=O)=O ZINC000161069497 364442901 /nfs/dbraw/zinc/44/29/01/364442901.db2.gz MWPIBCNQDKUZMG-VPTHRUTESA-N 0 0 295.813 1.523 10 70 CDIERN Cc1cc(C[C@@H](C)NC(=O)c2cnn(C)c2C)[nH]n1 ZINC000161099965 364448272 /nfs/dbraw/zinc/44/82/72/364448272.db2.gz TXCLMOMIAISVPJ-MRVPVSSYSA-N 0 0 261.329 1.121 10 70 CDIERN COC(=O)c1ccc(CSCCN2CCOCC2)o1 ZINC000160005324 372791916 /nfs/dbraw/zinc/79/19/16/372791916.db2.gz ANIGIFJDTHUNKI-UHFFFAOYSA-N 0 0 285.365 1.632 10 70 CDIERN COC(=O)C1(N(C)C(=O)[C@H](C)C2CCOCC2)CCCC1 ZINC000160541497 377084485 /nfs/dbraw/zinc/08/44/85/377084485.db2.gz VEMUMWJIHLJMJG-GFCCVEGCSA-N 0 0 297.395 1.993 10 70 CDIERN COCCC1(C(=O)NCc2cccc(OC)n2)CC1 ZINC000161146998 533184126 /nfs/dbraw/zinc/18/41/26/533184126.db2.gz NKZQMFICVMVNCZ-UHFFFAOYSA-N 0 0 264.325 1.523 10 70 CDIERN CN(C)c1ncccc1NC(=O)c1ccc2nnn(C)c2c1 ZINC000159555721 292761601 /nfs/dbraw/zinc/76/16/01/292761601.db2.gz DFKZYGAEAZNDAU-UHFFFAOYSA-N 0 0 296.334 1.682 10 70 CDIERN CCOc1cc(F)ccc1NC(=O)NC1(CO)CC1 ZINC000160996655 292798003 /nfs/dbraw/zinc/79/80/03/292798003.db2.gz AFVUDHFVUYVFKB-UHFFFAOYSA-N 0 0 268.288 1.871 10 70 CDIERN O=C(c1cnn(-c2cccc(Cl)c2)c1)N1CC(O)C1 ZINC000161409193 292805200 /nfs/dbraw/zinc/80/52/00/292805200.db2.gz FAZPDECUGDRXBV-UHFFFAOYSA-N 0 0 277.711 1.342 10 70 CDIERN CC[C@H](C)OCC(=O)NC[C@@H]1CCO[C@@H]1C(C)C ZINC000161374102 292805259 /nfs/dbraw/zinc/80/52/59/292805259.db2.gz PORKUVGKCWZSDS-SGMGOOAPSA-N 0 0 257.374 1.979 10 70 CDIERN CCOC(=O)c1cnn(C)c1CN1CCCCC1 ZINC000159729553 330850780 /nfs/dbraw/zinc/85/07/80/330850780.db2.gz PLKUQKKTEREEPC-UHFFFAOYSA-N 0 0 251.330 1.583 10 70 CDIERN O=C(CSc1ccc2c(c1)CCC2)NC1(CO)CC1 ZINC000160416632 534673722 /nfs/dbraw/zinc/67/37/22/534673722.db2.gz HXUIWHFSGHCZBB-UHFFFAOYSA-N 0 0 277.389 1.909 10 70 CDIERN Cc1noc([C@@H]2COCCN2CCOC(C)(C)C)n1 ZINC000160997904 526658037 /nfs/dbraw/zinc/65/80/37/526658037.db2.gz RTSCFFMPFMFKEN-NSHDSACASA-N 0 0 269.345 1.566 10 70 CDIERN CC(=O)c1cc(C(=O)N[C@@H](C)Cc2cc(C)n[nH]2)n(C)c1 ZINC000161351944 527199331 /nfs/dbraw/zinc/19/93/31/527199331.db2.gz XQIMOOFTKDDKAT-VIFPVBQESA-N 0 0 288.351 1.620 10 70 CDIERN CCN(Cc1nc2ccccc2c(=O)[nH]1)C[C@](C)(O)CC ZINC000160501386 528888055 /nfs/dbraw/zinc/88/80/55/528888055.db2.gz MHHMSFKOFUYEGR-MRXNPFEDSA-N 0 0 289.379 1.906 10 70 CDIERN O=C(NCc1ccccc1OC1CCC1)[C@H]1COCCN1 ZINC000159708526 361805948 /nfs/dbraw/zinc/80/59/48/361805948.db2.gz PCLWPLFUTIWDRT-CQSZACIVSA-N 0 0 290.363 1.223 10 70 CDIERN COC(=O)CCNC(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000159838948 361880353 /nfs/dbraw/zinc/88/03/53/361880353.db2.gz BALYMVZRENINNU-NWDGAFQWSA-N 0 0 253.342 1.882 10 70 CDIERN CCO[C@@H](CCNC(=O)N1CCC[C@H]1C(=O)NC)C(C)C ZINC000159379048 539114133 /nfs/dbraw/zinc/11/41/33/539114133.db2.gz YMJOPSCKLBDKAN-STQMWFEESA-N 0 0 299.415 1.358 10 70 CDIERN C[C@@H](CO)N(C)C(=O)Cc1c[nH]c2ccc(F)cc12 ZINC000160511597 539115968 /nfs/dbraw/zinc/11/59/68/539115968.db2.gz DQZCPKHLOMAYQX-VIFPVBQESA-N 0 0 264.300 1.689 10 70 CDIERN Cc1cccc2[nH]c(CNC(=O)Cc3cc[nH]n3)nc21 ZINC000160581750 539116040 /nfs/dbraw/zinc/11/60/40/539116040.db2.gz WLMWEZULHMBYAC-UHFFFAOYSA-N 0 0 269.308 1.453 10 70 CDIERN CCN(Cc1nc(C)ccc1O)[C@H]1CCS(=O)(=O)C1 ZINC000160543352 362443347 /nfs/dbraw/zinc/44/33/47/362443347.db2.gz RGROOBFOERCMCS-NSHDSACASA-N 0 0 284.381 1.105 10 70 CDIERN C[C@H](C[S@](=O)c1ccccc1F)CS(C)(=O)=O ZINC000161044864 362521999 /nfs/dbraw/zinc/52/19/99/362521999.db2.gz RHSCVKLGONEPBB-JDNHERCYSA-N 0 0 278.370 1.614 10 70 CDIERN CCc1c(C(=O)N2C[C@@H](C)OC[C@H]2C)[nH]c(C)c1C(N)=O ZINC000161132656 362691465 /nfs/dbraw/zinc/69/14/65/362691465.db2.gz JLTIXYCFLIGREM-RKDXNWHRSA-N 0 0 293.367 1.234 10 70 CDIERN CNC(=O)[C@H]1CCCN1C(=O)N[C@H](C)c1ncc(C)s1 ZINC000159566074 188432060 /nfs/dbraw/zinc/43/20/60/188432060.db2.gz UVFSBXNRADBBDL-NXEZZACHSA-N 0 0 296.396 1.433 10 70 CDIERN C[C@@H](CCO)NC(=O)NCCc1c[nH]c2ccc(F)cc12 ZINC000160237487 188460756 /nfs/dbraw/zinc/46/07/56/188460756.db2.gz HAJVXAZSLMGJGD-JTQLQIEISA-N 0 0 293.342 1.920 10 70 CDIERN Cc1nc2cc(NC(=O)[C@H]3CCNC(=O)C3)ccc2o1 ZINC000159982891 363552794 /nfs/dbraw/zinc/55/27/94/363552794.db2.gz IHDVJOBRPNYPNO-VIFPVBQESA-N 0 0 273.292 1.601 10 70 CDIERN Cc1ccc(OCCC(=O)NC2(CO)CC2)cc1C ZINC000159825954 237161697 /nfs/dbraw/zinc/16/16/97/237161697.db2.gz WEJOKQYAEOXTGR-UHFFFAOYSA-N 0 0 263.337 1.713 10 70 CDIERN Cc1cccc2[nH]c(CNC(=O)c3cc[nH]c(=O)c3)nc21 ZINC000160445784 363868281 /nfs/dbraw/zinc/86/82/81/363868281.db2.gz IRLJQRPKIRJZFQ-UHFFFAOYSA-N 0 0 282.303 1.490 10 70 CDIERN CCOC(=O)C(C)(C)NCc1cnc2ccccn12 ZINC000160489082 363930073 /nfs/dbraw/zinc/93/00/73/363930073.db2.gz ZOFGCKIJTBFRMZ-UHFFFAOYSA-N 0 0 261.325 1.766 10 70 CDIERN Cc1cc(CSC[C@H](C)CS(C)(=O)=O)no1 ZINC000159679080 364251068 /nfs/dbraw/zinc/25/10/68/364251068.db2.gz QHIAIHUYYZDMJH-QMMMGPOBSA-N 0 0 263.384 1.897 10 70 CDIERN COc1cccc(Cl)c1CC(=O)N(C)CC(=O)N(C)C ZINC000160821769 364414570 /nfs/dbraw/zinc/41/45/70/364414570.db2.gz AELSRFBJHBTVSG-UHFFFAOYSA-N 0 0 298.770 1.438 10 70 CDIERN CCC[N@H+](CCO)Cc1cc(OC)c2c(c1)OCCO2 ZINC000161208035 364463929 /nfs/dbraw/zinc/46/39/29/364463929.db2.gz TWEYBODXAOCUGW-UHFFFAOYSA-N 0 0 281.352 1.671 10 70 CDIERN Cc1nccc(N[C@H](Cc2ccccc2)C(=O)N(C)C)n1 ZINC000161336377 364478894 /nfs/dbraw/zinc/47/88/94/364478894.db2.gz PLVFLKISSNJVRQ-CQSZACIVSA-N 0 0 284.363 1.896 10 70 CDIERN COC(=O)[C@H]1CCCN(C(=O)Cc2nc(C)sc2C)C1 ZINC000161372400 364484126 /nfs/dbraw/zinc/48/41/26/364484126.db2.gz JAAVHKQFCMFQCA-NSHDSACASA-N 0 0 296.392 1.714 10 70 CDIERN CCC[C@@H](C(=O)NCc1ccnc(OC)c1)[NH+](C)C ZINC000161392446 364488478 /nfs/dbraw/zinc/48/84/78/364488478.db2.gz MBBYDMKZEKIZRI-LBPRGKRZSA-N 0 0 265.357 1.437 10 70 CDIERN C[C@H]1Cc2ccccc2N1C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000161115358 367125451 /nfs/dbraw/zinc/12/54/51/367125451.db2.gz ISXMCUITBPWIHV-WCQYABFASA-N 0 0 297.362 1.754 10 70 CDIERN O=C(CS(=O)(=O)C1CCOCC1)Nc1ccccc1 ZINC000160052535 377000717 /nfs/dbraw/zinc/00/07/17/377000717.db2.gz KCLNIVCVRVRWJI-UHFFFAOYSA-N 0 0 283.349 1.219 10 70 CDIERN COC[C@H](O)CCNC(=O)CCCc1ccc(C)cc1 ZINC000161337609 377590124 /nfs/dbraw/zinc/59/01/24/377590124.db2.gz SEKHTOJYHXPLLF-OAHLLOKOSA-N 0 0 279.380 1.831 10 70 CDIERN COCCC1(CNC(=O)NC[C@@H](O)C(C)C)CC1 ZINC000161102349 533198934 /nfs/dbraw/zinc/19/89/34/533198934.db2.gz YYEIFTHMQIJQQQ-LLVKDONJSA-N 0 0 258.362 1.119 10 70 CDIERN CCCOC(=O)[C@H](C)N1c2ccccc2C[C@H]1C(N)=O ZINC000159849204 139907070 /nfs/dbraw/zinc/90/70/70/139907070.db2.gz ZIOOYBZWWUKTHZ-GWCFXTLKSA-N 0 0 276.336 1.245 10 70 CDIERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@@H](C)SC ZINC000160133198 139908847 /nfs/dbraw/zinc/90/88/47/139908847.db2.gz VTXZTUHFWYBPPR-ZJUUUORDSA-N 0 0 297.428 1.726 10 70 CDIERN C[C@@H]1CN(c2ccnc(Cl)c2)CCS1(=O)=O ZINC000160724622 288269419 /nfs/dbraw/zinc/26/94/19/288269419.db2.gz WRTNJYVUAFQJAO-MRVPVSSYSA-N 0 0 260.746 1.358 10 70 CDIERN COc1nc(C)nc(NCCCOC[C@H]2CCOC2)c1C ZINC000159403602 292758450 /nfs/dbraw/zinc/75/84/50/292758450.db2.gz SRIVDMOXWVUIJS-CYBMUJFWSA-N 0 0 295.383 1.957 10 70 CDIERN Cc1cc(OCC(=O)N([C@H](C)C2CC2)C2CC2)nn1C ZINC000159755894 292768296 /nfs/dbraw/zinc/76/82/96/292768296.db2.gz VEARQEBMVYCBSA-LLVKDONJSA-N 0 0 277.368 1.897 10 70 CDIERN COC[C@H](O)CCNC(=O)c1[nH]c2ccc(C)cc2c1C ZINC000160974987 292797418 /nfs/dbraw/zinc/79/74/18/292797418.db2.gz ZHPDRELIVANHEF-GFCCVEGCSA-N 0 0 290.363 1.912 10 70 CDIERN CC(C)CN(C(=O)N[C@@H]1CCc2ncnn2C1)C1CC1 ZINC000161023781 519706391 /nfs/dbraw/zinc/70/63/91/519706391.db2.gz KGPHHCRBSXVHAK-LLVKDONJSA-N 0 0 277.372 1.423 10 70 CDIERN CCCCOC(=O)[C@H](C)N1CCOC[C@@H]1c1nc(C)no1 ZINC000161150444 520718512 /nfs/dbraw/zinc/71/85/12/520718512.db2.gz DKSJNXGZHNXUAF-CMPLNLGQSA-N 0 0 297.355 1.483 10 70 CDIERN CCCC[C@@H](NC(=O)COC)C(=O)OC(C)(C)C ZINC000161229622 521077840 /nfs/dbraw/zinc/07/78/40/521077840.db2.gz LNTPJEJHSFYEFW-SNVBAGLBSA-N 0 0 259.346 1.650 10 70 CDIERN CCCc1ccc([C@@H](C)N(CC(N)=O)CC(=O)OC)cc1 ZINC000159572034 521414971 /nfs/dbraw/zinc/41/49/71/521414971.db2.gz ISFCQZCBPMPMRZ-GFCCVEGCSA-N 0 0 292.379 1.660 10 70 CDIERN COCc1csc(NC(=O)NCc2nc(C)no2)n1 ZINC000161370323 523159591 /nfs/dbraw/zinc/15/95/91/523159591.db2.gz UESVKALXHRTVMI-UHFFFAOYSA-N 0 0 283.313 1.303 10 70 CDIERN COCCCCNC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160732407 523162226 /nfs/dbraw/zinc/16/22/26/523162226.db2.gz YVCLCMJFKPQUQI-HIFRSBDPSA-N 0 0 284.400 1.750 10 70 CDIERN CC(=O)N1CC[C@@H](C(=O)N(C)c2ccc3c(c2)OCO3)C1 ZINC000160091396 526641902 /nfs/dbraw/zinc/64/19/02/526641902.db2.gz UOFXFBXXVKKLPP-LLVKDONJSA-N 0 0 290.319 1.247 10 70 CDIERN O=C(CNCC(F)(F)F)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000160575905 526877762 /nfs/dbraw/zinc/87/77/62/526877762.db2.gz FXFBRFONFKOGRD-CMPLNLGQSA-N 0 0 294.317 1.292 10 70 CDIERN Cc1cc(CSC[C@@H](C)CS(C)(=O)=O)no1 ZINC000159678940 361777614 /nfs/dbraw/zinc/77/76/14/361777614.db2.gz QHIAIHUYYZDMJH-MRVPVSSYSA-N 0 0 263.384 1.897 10 70 CDIERN CC(C)CC[C@](C)(O)CNC(=O)[C@H]1CCCCO1 ZINC000159765616 361838683 /nfs/dbraw/zinc/83/86/83/361838683.db2.gz WQMDBMVSEWWOOG-OCCSQVGLSA-N 0 0 257.374 1.859 10 70 CDIERN Cc1c(CNC(=O)NCc2cscn2)cnn1C ZINC000160816138 539116828 /nfs/dbraw/zinc/11/68/28/539116828.db2.gz WMQOISYHHMHNFD-UHFFFAOYSA-N 0 0 265.342 1.184 10 70 CDIERN Cc1noc(CCC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)n1 ZINC000160463078 362428929 /nfs/dbraw/zinc/42/89/29/362428929.db2.gz PGBHARMAIDAXHG-SWLSCSKDSA-N 0 0 293.367 1.464 10 70 CDIERN CC(=O)Nc1cccc(C(=O)N[C@@H](C)[C@@H](C)CO)c1 ZINC000160288193 362408974 /nfs/dbraw/zinc/40/89/74/362408974.db2.gz FLLNSMBNLOAUKQ-UWVGGRQHSA-N 0 0 264.325 1.392 10 70 CDIERN CC(=O)Nc1cccc(C(=O)NCC2(CO)CCCC2)c1 ZINC000160312255 362411219 /nfs/dbraw/zinc/41/12/19/362411219.db2.gz DZVJFTIUGSARLB-UHFFFAOYSA-N 0 0 290.363 1.928 10 70 CDIERN Cc1ccccc1-c1nc(CS(=O)(=O)CCCO)no1 ZINC000159392814 358466241 /nfs/dbraw/zinc/46/62/41/358466241.db2.gz UFKWIJBWNHSRJS-UHFFFAOYSA-N 0 0 296.348 1.342 10 70 CDIERN Cc1ccc2ncc(C[N@H+]3C[C@H](C(N)=O)CC[C@@H]3C)n2c1 ZINC000159709441 363213273 /nfs/dbraw/zinc/21/32/73/363213273.db2.gz ZBCDAMURXPRBBZ-QWHCGFSZSA-N 0 0 286.379 1.729 10 70 CDIERN CN(C(=O)[C@]1(C)CCCO1)c1ccc2c(c1)OCO2 ZINC000160138442 188457238 /nfs/dbraw/zinc/45/72/38/188457238.db2.gz NSJGEXKQBIXYNO-AWEZNQCLSA-N 0 0 263.293 1.947 10 70 CDIERN C[C@@H](CO)N(C)C(=O)c1cc(=O)[nH]c2cc(F)ccc21 ZINC000160497600 188476367 /nfs/dbraw/zinc/47/63/67/188476367.db2.gz IEXGNOWFHFDDBO-QMMMGPOBSA-N 0 0 278.283 1.120 10 70 CDIERN COc1cc(CNC(=O)N(C[C@@H](C)O)C(C)C)ccn1 ZINC000159875603 363399427 /nfs/dbraw/zinc/39/94/27/363399427.db2.gz FVEONCMKMXXKRH-LLVKDONJSA-N 0 0 281.356 1.391 10 70 CDIERN NC(=O)[C@@H]1CCCN1Cc1c[nH]nc1-c1ccccc1F ZINC000160335620 358259232 /nfs/dbraw/zinc/25/92/32/358259232.db2.gz HDIACJIXEPRBKU-ZDUSSCGKSA-N 0 0 288.326 1.666 10 70 CDIERN CCCOCC(=O)N1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000159628276 283403000 /nfs/dbraw/zinc/40/30/00/283403000.db2.gz GFBTTXQWZKEDAE-QWHCGFSZSA-N 0 0 297.351 1.357 10 70 CDIERN OCc1cc2n(n1)CCCN(c1cnc3ccccc3n1)C2 ZINC000217040643 358975923 /nfs/dbraw/zinc/97/59/23/358975923.db2.gz XMFAOHITEVRQDO-UHFFFAOYSA-N 0 0 295.346 1.729 10 70 CDIERN Nc1n[nH]c(SCCN2CCCc3ccccc32)n1 ZINC000160527533 237177600 /nfs/dbraw/zinc/17/76/00/237177600.db2.gz NNMMRCGDFGKFKV-UHFFFAOYSA-N 0 0 275.381 1.932 10 70 CDIERN O=C(NC1(CO)CC1)c1cc(F)cc2cccnc21 ZINC000160175610 363706974 /nfs/dbraw/zinc/70/69/74/363706974.db2.gz IMHBGSASVOCSND-UHFFFAOYSA-N 0 0 260.268 1.629 10 70 CDIERN O=C(CCc1cccc(F)c1F)NC1(CO)CC1 ZINC000160318552 363814060 /nfs/dbraw/zinc/81/40/60/363814060.db2.gz XXTUTNJKOUAQLR-UHFFFAOYSA-N 0 0 255.264 1.539 10 70 CDIERN C[C@@H](NC(=O)C1CC2(C1)NC(=O)NC2=O)C1CCCCC1 ZINC000159689195 364250859 /nfs/dbraw/zinc/25/08/59/364250859.db2.gz PTXWEICKISDVPQ-IWPPJYEWSA-N 0 0 293.367 1.060 10 70 CDIERN CC1(C)CN(C(=O)c2ccccc2F)CCS1(=O)=O ZINC000159937614 364283529 /nfs/dbraw/zinc/28/35/29/364283529.db2.gz MSWKKIIFIVKWLI-UHFFFAOYSA-N 0 0 285.340 1.475 10 70 CDIERN CNC(=O)c1ccc(N[C@@H]2CCO[C@@H](C3CC3)C2)nn1 ZINC000160444876 364354686 /nfs/dbraw/zinc/35/46/86/364354686.db2.gz HPHASOCWMNQWIF-ZYHUDNBSSA-N 0 0 276.340 1.206 10 70 CDIERN CCOC(=O)[C@@H]1CC[C@H](NC(=O)c2cc(F)ccc2O)C1 ZINC000160594431 364381360 /nfs/dbraw/zinc/38/13/60/364381360.db2.gz OSPKIMZTPRJBTE-KOLCDFICSA-N 0 0 295.310 1.993 10 70 CDIERN COc1cc(-c2noc(C[C@@H](O)C(C)C)n2)ccn1 ZINC000161012674 364438078 /nfs/dbraw/zinc/43/80/78/364438078.db2.gz YWKNCFRUKMXVCY-SNVBAGLBSA-N 0 0 263.297 1.700 10 70 CDIERN Cc1cc(C[C@@H](C)NC(=O)Cc2c(C)noc2C)[nH]n1 ZINC000161083910 364445172 /nfs/dbraw/zinc/44/51/72/364445172.db2.gz RBWNAXHAWZWMHV-MRVPVSSYSA-N 0 0 276.340 1.613 10 70 CDIERN CSc1cc(C(=O)NC[C@@H]2CN(C)CCO2)ccc1F ZINC000161169975 364457622 /nfs/dbraw/zinc/45/76/22/364457622.db2.gz NVEQUUGRLHUBFR-LLVKDONJSA-N 0 0 298.383 1.608 10 70 CDIERN CCc1ncc(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cn1 ZINC000161208001 364463389 /nfs/dbraw/zinc/46/33/89/364463389.db2.gz NEHQMKDELNZHAU-AAEUAGOBSA-N 0 0 291.399 1.889 10 70 CDIERN OCCN1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000161133515 367246818 /nfs/dbraw/zinc/24/68/18/367246818.db2.gz ALJYYNZKMXDANZ-RYUDHWBXSA-N 0 0 275.270 1.805 10 70 CDIERN CCOC(=O)C[C@@H](C)NC(=O)[C@H]1CCCc2n[nH]cc21 ZINC000160390896 391509074 /nfs/dbraw/zinc/50/90/74/391509074.db2.gz YSWMMEFGNDVGKT-ZJUUUORDSA-N 0 0 279.340 1.288 10 70 CDIERN N#Cc1cc(Br)cc(S(=O)(=O)Cl)n1 ZINC000103605284 264859639 /nfs/dbraw/zinc/85/96/39/264859639.db2.gz JUPAKZSELYBMMB-UHFFFAOYSA-N 0 0 281.518 1.643 10 70 CDIERN CC[C@H](NS(=O)(=O)[C@@H](C)COC)c1nccs1 ZINC000159971158 292774995 /nfs/dbraw/zinc/77/49/95/292774995.db2.gz DLFKZBZOZGUXTP-IUCAKERBSA-N 0 0 278.399 1.549 10 70 CDIERN C[C@H](Oc1ccc(F)c(F)c1)C(=O)NC1(CO)CC1 ZINC000160242518 292781365 /nfs/dbraw/zinc/78/13/65/292781365.db2.gz RXOBQCGHYYQFFX-QMMMGPOBSA-N 0 0 271.263 1.373 10 70 CDIERN CC[C@H]1CCCCCN1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000160809559 292794790 /nfs/dbraw/zinc/79/47/90/292794790.db2.gz AMZYEQYSIADYNZ-RYUDHWBXSA-N 0 0 288.413 1.538 10 70 CDIERN C[C@@]1(O)CCCN(C(=O)NCc2cscn2)C1 ZINC000161346437 292804510 /nfs/dbraw/zinc/80/45/10/292804510.db2.gz FVXJJGNAYNZUSX-LLVKDONJSA-N 0 0 255.343 1.200 10 70 CDIERN C[C@H]1C[C@H](C)CN(C(=O)Cn2cnn(C(C)(C)C)c2=O)C1 ZINC000159618674 518184874 /nfs/dbraw/zinc/18/48/74/518184874.db2.gz VKGVDGZNFSOFOB-RYUDHWBXSA-N 0 0 294.399 1.304 10 70 CDIERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N(C)CC1CC1)CC2 ZINC000161367064 519871282 /nfs/dbraw/zinc/87/12/82/519871282.db2.gz KEMPAKVDXKNCRX-LBPRGKRZSA-N 0 0 291.399 1.768 10 70 CDIERN CCc1onc(C)c1C(=O)N1CCS[C@H]2COCC[C@@H]21 ZINC000160971171 523034154 /nfs/dbraw/zinc/03/41/54/523034154.db2.gz WCWVFUZZZQABFR-JQWIXIFHSA-N 0 0 296.392 1.892 10 70 CDIERN CS[C@H](C)CNC(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000160606028 525881314 /nfs/dbraw/zinc/88/13/14/525881314.db2.gz ZVZXRBQQJGCJFZ-NXEZZACHSA-N 0 0 297.428 1.726 10 70 CDIERN CC1CCC(N2C[C@H](C(=O)NC3(CO)CC3)CC2=O)CC1 ZINC000160213297 528195845 /nfs/dbraw/zinc/19/58/45/528195845.db2.gz HXRNSCGERQEUBP-OTTFEQOBSA-N 0 0 294.395 1.055 10 70 CDIERN C[C@H]1CCOCCN1C(=O)c1cnc(C(F)(F)F)nc1 ZINC000159907895 290604726 /nfs/dbraw/zinc/60/47/26/290604726.db2.gz OQTYWKQGVBPDBQ-QMMMGPOBSA-N 0 0 289.257 1.746 10 70 CDIERN CCc1ccc(C[N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)o1 ZINC000159589405 361738332 /nfs/dbraw/zinc/73/83/32/361738332.db2.gz JIISKMGSSJOIJB-WDEREUQCSA-N 0 0 250.342 1.928 10 70 CDIERN Cc1ccccc1C(=O)NCC(=O)NCCOC(C)C ZINC000159779661 539114687 /nfs/dbraw/zinc/11/46/87/539114687.db2.gz ZLGHIBCNFMFNSG-UHFFFAOYSA-N 0 0 278.352 1.266 10 70 CDIERN CCN(Cc1cncnc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000159876193 539114966 /nfs/dbraw/zinc/11/49/66/539114966.db2.gz RDKDYAFHJNFLFE-UHFFFAOYSA-N 0 0 295.346 1.735 10 70 CDIERN CCCCn1nnnc1CN1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160748468 539116385 /nfs/dbraw/zinc/11/63/85/539116385.db2.gz XSKLEDQFZPTFKB-HIFRSBDPSA-N 0 0 293.415 1.600 10 70 CDIERN Cc1cc(CN(C)C(=O)NCCc2cscn2)no1 ZINC000159559982 362328857 /nfs/dbraw/zinc/32/88/57/362328857.db2.gz VLQCZXNEDGGLLS-UHFFFAOYSA-N 0 0 280.353 1.824 10 70 CDIERN Cc1cccc(OCCC(=O)N[C@@H](C)[C@@H](C)CO)c1 ZINC000160269584 362406508 /nfs/dbraw/zinc/40/65/08/362406508.db2.gz CQQBRLISUYCPDV-STQMWFEESA-N 0 0 265.353 1.897 10 70 CDIERN C[C@@H](CO)[C@@H](C)NC(=O)c1cc(=O)c2ccccc2[nH]1 ZINC000160414307 362422672 /nfs/dbraw/zinc/42/26/72/362422672.db2.gz WTEIUUWPZAKNQW-VHSXEESVSA-N 0 0 274.320 1.275 10 70 CDIERN C[C@@H](O)CCNC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000161008845 362470409 /nfs/dbraw/zinc/47/04/09/362470409.db2.gz ZQCIXPDTZXRIAO-KXNHARMFSA-N 0 0 268.357 1.014 10 70 CDIERN COc1ccc(C(=O)N2CCS(=O)(=O)C(C)(C)C2)cc1 ZINC000159937461 362634968 /nfs/dbraw/zinc/63/49/68/362634968.db2.gz UFKIOTCXOCUSRP-UHFFFAOYSA-N 0 0 297.376 1.344 10 70 CDIERN C[C@@H]1CCN(C(=O)c2cnc3c(c2)ncn3C)[C@@H]1C ZINC000160710375 346199016 /nfs/dbraw/zinc/19/90/16/346199016.db2.gz JTXGKLVDEXRBGW-NXEZZACHSA-N 0 0 258.325 1.839 10 70 CDIERN COc1ccc(/C=C(/C)C(=O)N[C@@H](C)C(N)=O)cc1F ZINC000159526896 188430149 /nfs/dbraw/zinc/43/01/49/188430149.db2.gz IRHAUOXBAVRBKL-XZLDQRQTSA-N 0 0 280.299 1.228 10 70 CDIERN COC(=O)Cn1cc(CCOc2cccc(F)c2F)nn1 ZINC000159776066 188441042 /nfs/dbraw/zinc/44/10/42/188441042.db2.gz HUEDEPRNQFJKLH-UHFFFAOYSA-N 0 0 297.261 1.351 10 70 CDIERN COC[C@H]1CCCN1Cc1cn(-c2ccccc2)nn1 ZINC000217053894 538466709 /nfs/dbraw/zinc/46/67/09/538466709.db2.gz OERLOWAWVVLRDC-OAHLLOKOSA-N 0 0 272.352 1.878 10 70 CDIERN O=C(Cc1ccsc1)N1CCC(OCCCO)CC1 ZINC000160153092 538847975 /nfs/dbraw/zinc/84/79/75/538847975.db2.gz RNLILJQXLDKJTE-UHFFFAOYSA-N 0 0 283.393 1.681 10 70 CDIERN CCn1nc(C)cc1C(=O)Nc1ccc(N(C)C)nc1 ZINC000159407362 359074669 /nfs/dbraw/zinc/07/46/69/359074669.db2.gz YUPYNAVSSZVQLM-UHFFFAOYSA-N 0 0 273.340 1.925 10 70 CDIERN Cn1cc(NC(=O)CCc2cc3ccccc3[nH]c2=O)cn1 ZINC000160059291 363624767 /nfs/dbraw/zinc/62/47/67/363624767.db2.gz GRKGQCKSUNWDBE-UHFFFAOYSA-N 0 0 296.330 1.833 10 70 CDIERN CC[C@H]1CCC[C@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)C1 ZINC000159554532 361729282 /nfs/dbraw/zinc/72/92/82/361729282.db2.gz PZYKCKPMMRLKFD-PAPNWUEJSA-N 0 0 293.367 1.060 10 70 CDIERN Cc1ccccc1S(=O)(=O)C[C@@H](C)CS(C)(=O)=O ZINC000160358478 363833231 /nfs/dbraw/zinc/83/32/31/363833231.db2.gz VPNIBSOKBLTXBO-JTQLQIEISA-N 0 0 290.406 1.449 10 70 CDIERN O=C(CSc1ccc(O)cc1)NC1(CO)CC1 ZINC000160269836 364328118 /nfs/dbraw/zinc/32/81/18/364328118.db2.gz XONUNOMNXNIPIR-UHFFFAOYSA-N 0 0 253.323 1.125 10 70 CDIERN C[C@@H](Sc1ccncc1)C(=O)N(C)CC(=O)NC1CC1 ZINC000160029829 364297876 /nfs/dbraw/zinc/29/78/76/364297876.db2.gz XADVPAJYXXFNSF-SNVBAGLBSA-N 0 0 293.392 1.299 10 70 CDIERN CCCOCC(=O)N[C@@H]1CCN(c2ccccc2OC)C1 ZINC000161112172 364449806 /nfs/dbraw/zinc/44/98/06/364449806.db2.gz QSFSUQNTQBKQOF-CYBMUJFWSA-N 0 0 292.379 1.817 10 70 CDIERN Cc1cc(C[C@@H](C)NC(=O)c2ccc3nncn3c2)[nH]n1 ZINC000161159447 364456398 /nfs/dbraw/zinc/45/63/98/364456398.db2.gz JFHWNNHYKIBEJO-SECBINFHSA-N 0 0 284.323 1.122 10 70 CDIERN CCC[C@@H](NC(=O)[C@H]1CC(=O)N(C)C1)C(=O)OC(C)(C)C ZINC000161393871 364487246 /nfs/dbraw/zinc/48/72/46/364487246.db2.gz UIUQLVIYIJEMED-WDEREUQCSA-N 0 0 298.383 1.091 10 70 CDIERN C[C@@H]([NH2+]C[C@H](CO)c1ccccc1)c1cnn(C)c1 ZINC000161486574 364501030 /nfs/dbraw/zinc/50/10/30/364501030.db2.gz RGGGJHLHXMUEMW-IUODEOHRSA-N 0 0 259.353 1.847 10 70 CDIERN OCCN1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000161133753 367246722 /nfs/dbraw/zinc/24/67/22/367246722.db2.gz ALJYYNZKMXDANZ-NEPJUHHUSA-N 0 0 275.270 1.805 10 70 CDIERN CCOC[C@@H](O)CN[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000161284208 377552627 /nfs/dbraw/zinc/55/26/27/377552627.db2.gz UNFLGZFILOHBMT-OCCSQVGLSA-N 0 0 290.367 1.315 10 70 CDIERN Cc1cc(C[C@@H](C)NC(=O)c2ccc(C(N)=O)s2)[nH]n1 ZINC000161314931 377557248 /nfs/dbraw/zinc/55/72/48/377557248.db2.gz HOOGGADFBSVCHU-SSDOTTSWSA-N 0 0 292.364 1.240 10 70 CDIERN Cc1ccn(-c2ccccc2CNC(=O)[C@@H]2CCC(=O)N2)n1 ZINC000161407988 377619071 /nfs/dbraw/zinc/61/90/71/377619071.db2.gz KMNAAEBFYZPJCG-ZDUSSCGKSA-N 0 0 298.346 1.076 10 70 CDIERN C[C@@H](NC(=O)N[C@@H]1CCC(=O)N(C)C1)C(C)(C)C ZINC000159795050 292769539 /nfs/dbraw/zinc/76/95/39/292769539.db2.gz CXOYUBNKQPMUOI-NXEZZACHSA-N 0 0 255.362 1.341 10 70 CDIERN Cc1cc(OCc2nnnn2-c2ccccc2)nn1C ZINC000159824883 292770895 /nfs/dbraw/zinc/77/08/95/292770895.db2.gz CKZWMLMIKLNKDO-UHFFFAOYSA-N 0 0 270.296 1.283 10 70 CDIERN Cc1ccc(OCCN(C)C(=O)[C@H]2CCNC(=O)C2)cc1 ZINC000160095424 292777198 /nfs/dbraw/zinc/77/71/98/292777198.db2.gz KYUJQRUOLVWQGD-ZDUSSCGKSA-N 0 0 290.363 1.358 10 70 CDIERN O=C(NC1(CO)CC1)c1ccnc(OCC(F)(F)F)c1 ZINC000160201578 292779866 /nfs/dbraw/zinc/77/98/66/292779866.db2.gz MGIRRESKFBWNFU-UHFFFAOYSA-N 0 0 290.241 1.277 10 70 CDIERN COc1ccc(C(=O)NC2(CO)CC2)cc1OC(F)F ZINC000160221621 292780578 /nfs/dbraw/zinc/78/05/78/292780578.db2.gz SLCGXHTVQUKJSO-UHFFFAOYSA-N 0 0 287.262 1.551 10 70 CDIERN COc1ccc(CCC(=O)NC2(CO)CC2)cc1OC ZINC000160344994 292784425 /nfs/dbraw/zinc/78/44/25/292784425.db2.gz WBOHRECVYYPBHS-UHFFFAOYSA-N 0 0 279.336 1.278 10 70 CDIERN Cc1cc(C)n(Cc2ccc(C(=O)NC3(CO)CC3)cc2)n1 ZINC000160517286 292789018 /nfs/dbraw/zinc/78/90/18/292789018.db2.gz AMHHJTVDCUUJAN-UHFFFAOYSA-N 0 0 299.374 1.803 10 70 CDIERN C[C@H](C[S@](=O)c1ccc(O)cc1)CS(C)(=O)=O ZINC000161064959 292799275 /nfs/dbraw/zinc/79/92/75/292799275.db2.gz VUOUGNRHJQIRDC-JDNHERCYSA-N 0 0 276.379 1.181 10 70 CDIERN CSC[C@@H](C)NC(=O)N1CCC([C@@H](C)O)CC1 ZINC000160418248 533695825 /nfs/dbraw/zinc/69/58/25/533695825.db2.gz KWKHIFVJWLKRMC-NXEZZACHSA-N 0 0 260.403 1.540 10 70 CDIERN CCOC(=O)CNC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000161062070 520784329 /nfs/dbraw/zinc/78/43/29/520784329.db2.gz FNVRZYVHMBUXGU-VXGBXAGGSA-N 0 0 253.342 1.882 10 70 CDIERN Cc1cc(F)cc(NC(=O)C2CC3(C2)NC(=O)NC3=O)c1 ZINC000161081654 524943708 /nfs/dbraw/zinc/94/37/08/524943708.db2.gz ZAINCIVJNTYIEW-UHFFFAOYSA-N 0 0 291.282 1.061 10 70 CDIERN CCC1(CNC(=O)N2CCC[C@H]2C(=O)NC)CCCC1 ZINC000159905731 527714313 /nfs/dbraw/zinc/71/43/13/527714313.db2.gz MQZCHNVSKJXCSO-LBPRGKRZSA-N 0 0 281.400 1.877 10 70 CDIERN CCOc1ccc(SCC(=O)NC2(CO)CC2)cc1 ZINC000160522113 528590319 /nfs/dbraw/zinc/59/03/19/528590319.db2.gz QJIFSMYZMVWTHD-UHFFFAOYSA-N 0 0 281.377 1.819 10 70 CDIERN CCOCCC1(C(=O)N(C)CC(=O)NC(C)(C)C)CCC1 ZINC000161213691 528597761 /nfs/dbraw/zinc/59/77/61/528597761.db2.gz NLBZJHWGZZDITG-UHFFFAOYSA-N 0 0 298.427 1.956 10 70 CDIERN CC1(C)CCC[C@H](CC(=O)NCC(=O)NC2CC2)C1 ZINC000160181514 539115611 /nfs/dbraw/zinc/11/56/11/539115611.db2.gz XZXUJTBZWCUHFL-LLVKDONJSA-N 0 0 266.385 1.988 10 70 CDIERN Cc1cccc2[nH]c(CNC(=O)c3cocn3)nc21 ZINC000160517220 539115988 /nfs/dbraw/zinc/11/59/88/539115988.db2.gz HTEIZAYPGZJUNQ-UHFFFAOYSA-N 0 0 256.265 1.789 10 70 CDIERN Cc1ccc(NC(=O)NC[C@]2(CCO)CCOC2)cn1 ZINC000161420151 539117717 /nfs/dbraw/zinc/11/77/17/539117717.db2.gz UEVXLEIQRPBTES-AWEZNQCLSA-N 0 0 279.340 1.301 10 70 CDIERN Cc1cccc(NC(=O)CN2CC[C@H](O)[C@H](C)C2)c1 ZINC000159412300 362320274 /nfs/dbraw/zinc/32/02/74/362320274.db2.gz FXYXMXHJZCHSIF-OCCSQVGLSA-N 0 0 262.353 1.636 10 70 CDIERN CC(C)c1ccc(C(=O)NCCCN2CCCC2=O)cn1 ZINC000161130350 188509737 /nfs/dbraw/zinc/50/97/37/188509737.db2.gz FMGJYUFYYDFTGS-UHFFFAOYSA-N 0 0 289.379 1.947 10 70 CDIERN Cc1cc(C[C@H](C)NC(=O)c2cc(C(N)=O)cs2)[nH]n1 ZINC000161407145 188525171 /nfs/dbraw/zinc/52/51/71/188525171.db2.gz ZEANPHUYMANJIQ-ZETCQYMHSA-N 0 0 292.364 1.240 10 70 CDIERN COC(=O)[C@H](C)N[C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159818292 363344317 /nfs/dbraw/zinc/34/43/17/363344317.db2.gz CJIWNCXCOBQQSU-QWRGUYRKSA-N 0 0 274.324 1.479 10 70 CDIERN C[C@H](C(=O)NC[C@@H]1CN(C2CC2)CCO1)c1cccs1 ZINC000160436463 358640147 /nfs/dbraw/zinc/64/01/47/358640147.db2.gz DZAIJXFFWYSKMM-WCQYABFASA-N 0 0 294.420 1.831 10 70 CDIERN C[C@H]1OCCN(C(=O)NCc2cccnc2N(C)C)[C@@H]1C ZINC000160243763 237174410 /nfs/dbraw/zinc/17/44/10/237174410.db2.gz ONKXGWJGSGVNKG-VXGBXAGGSA-N 0 0 292.383 1.466 10 70 CDIERN COC1(c2noc(-c3ncccc3N)n2)CCOCC1 ZINC000159424724 359736343 /nfs/dbraw/zinc/73/63/43/359736343.db2.gz HTIDZVPQIBLIDC-UHFFFAOYSA-N 0 0 276.296 1.366 10 70 CDIERN CCC[C@@H](C)CC(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000160035854 283483223 /nfs/dbraw/zinc/48/32/23/283483223.db2.gz SPXRJENLZGPMJT-LLVKDONJSA-N 0 0 275.414 1.848 10 70 CDIERN COCc1ccccc1NC(=O)NC1(CO)CC1 ZINC000160716416 360819586 /nfs/dbraw/zinc/81/95/86/360819586.db2.gz ZOIPUCYFTWSUOG-UHFFFAOYSA-N 0 0 250.298 1.479 10 70 CDIERN COc1nc(C(=O)NC2(CO)CC2)cc2ccccc21 ZINC000160355013 363833220 /nfs/dbraw/zinc/83/32/20/363833220.db2.gz LFHVPQWQZBUGIT-UHFFFAOYSA-N 0 0 272.304 1.498 10 70 CDIERN O[C@@H](C[C@H]1COCCN1Cc1ccon1)c1ccco1 ZINC000159365525 364191859 /nfs/dbraw/zinc/19/18/59/364191859.db2.gz SIRCZTRAHFAKQN-STQMWFEESA-N 0 0 278.308 1.592 10 70 CDIERN COC(=O)C[C@@H](NC(=O)[C@@H]1CCCCO1)c1ccccc1 ZINC000160496285 364363618 /nfs/dbraw/zinc/36/36/18/364363618.db2.gz CKGZJGCANKSBRP-KGLIPLIRSA-N 0 0 291.347 1.976 10 70 CDIERN Cc1nc2cc(NC(=O)NCC3(CO)COC3)ccc2o1 ZINC000160515618 364366062 /nfs/dbraw/zinc/36/60/62/364366062.db2.gz DWQONVPTHCCMON-UHFFFAOYSA-N 0 0 291.307 1.267 10 70 CDIERN CC(C)[C@H](O)CC(=O)N(C)c1ccc2c(c1)OCO2 ZINC000160632069 364386861 /nfs/dbraw/zinc/38/68/61/364386861.db2.gz IJPMSOJNILBACM-LLVKDONJSA-N 0 0 265.309 1.785 10 70 CDIERN C[C@@H](O)CCNC(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000160727586 364401457 /nfs/dbraw/zinc/40/14/57/364401457.db2.gz RDKTZMROJNZTQM-YUELXQCFSA-N 0 0 292.379 1.977 10 70 CDIERN CCc1ccccc1C(=O)NCCCN1CCCC1=O ZINC000160742983 364404445 /nfs/dbraw/zinc/40/44/45/364404445.db2.gz OMVWVMVMLLCBFE-UHFFFAOYSA-N 0 0 274.364 1.991 10 70 CDIERN CCc1cc(=O)[nH]c(CN(C)Cc2cc(C)on2)n1 ZINC000160793154 364409298 /nfs/dbraw/zinc/40/92/98/364409298.db2.gz XNLMFMOIXUTEBF-UHFFFAOYSA-N 0 0 262.313 1.673 10 70 CDIERN O=C(Nc1ccc(N2CCOCC2)nc1)[C@@H]1CCCCO1 ZINC000160490544 369938834 /nfs/dbraw/zinc/93/88/34/369938834.db2.gz HJZCTWQMFBHFDT-ZDUSSCGKSA-N 0 0 291.351 1.426 10 70 CDIERN C[C@H](CCO)NC(=O)N[C@@H](C)c1ccc2c(c1)OCO2 ZINC000161507197 373789089 /nfs/dbraw/zinc/78/90/89/373789089.db2.gz KBLVEUDPCYXVJY-ZJUUUORDSA-N 0 0 280.324 1.546 10 70 CDIERN CC(C)C[C@H]1CCCN(C(=O)[C@H]2COCCN2)C1 ZINC000161472107 375466194 /nfs/dbraw/zinc/46/61/94/375466194.db2.gz KXLGWTAZJZHCLE-CHWSQXEVSA-N 0 0 254.374 1.260 10 70 CDIERN CCO[C@@H](C)c1nccn1C[C@@H](C)CS(C)(=O)=O ZINC000161458204 377650328 /nfs/dbraw/zinc/65/03/28/377650328.db2.gz OKTFYFJMNOZDPT-MNOVXSKESA-N 0 0 274.386 1.661 10 70 CDIERN COc1cc(C(=O)NC2(CO)CC2)cc(OC)c1C ZINC000159862559 533529221 /nfs/dbraw/zinc/52/92/21/533529221.db2.gz AGUJZQNKNSQIDG-UHFFFAOYSA-N 0 0 265.309 1.267 10 70 CDIERN Cn1cc([C@H]2CCN(C(=O)C(F)(F)C3(O)CCC3)C2)cn1 ZINC000160327357 139911008 /nfs/dbraw/zinc/91/10/08/139911008.db2.gz MSCYGJNOZHWMRK-JTQLQIEISA-N 0 0 299.321 1.286 10 70 CDIERN CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)N[C@@H](C)C(C)C)CC2 ZINC000161188753 286294454 /nfs/dbraw/zinc/29/44/54/286294454.db2.gz MTNCYYUHNCDKRH-BFHYXJOUSA-N 0 0 298.427 1.992 10 70 CDIERN CNC(=O)[C@H]1CCCN1C(=O)NC[C@]1(C)CCCS1 ZINC000159811226 292770150 /nfs/dbraw/zinc/77/01/50/292770150.db2.gz WGYUFYQLPODNHC-MFKMUULPSA-N 0 0 285.413 1.192 10 70 CDIERN COc1ccc(CCCC(=O)NC2(CO)CC2)c(OC)c1 ZINC000160277334 292782494 /nfs/dbraw/zinc/78/24/94/292782494.db2.gz CTMXSFLTQAJQCK-UHFFFAOYSA-N 0 0 293.363 1.668 10 70 CDIERN CCCNC(=O)N[C@H](C)Cn1ncc2ccccc2c1=O ZINC000160581239 292790987 /nfs/dbraw/zinc/79/09/87/292790987.db2.gz DJOTYUXFYPTQMI-LLVKDONJSA-N 0 0 288.351 1.494 10 70 CDIERN CCC[C@@H](NC(=O)[C@H](C)OC)C(=O)OC(C)(C)C ZINC000161476706 520747648 /nfs/dbraw/zinc/74/76/48/520747648.db2.gz ZZAPKWCEWHYDBZ-VHSXEESVSA-N 0 0 259.346 1.648 10 70 CDIERN CCOC(=O)CNC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000161059997 520787489 /nfs/dbraw/zinc/78/74/89/520787489.db2.gz PYTYGQAEXFWXAC-KOLCDFICSA-N 0 0 283.274 1.748 10 70 CDIERN CC[C@@H](O)CCNC(=O)N[C@H](C)c1ccc2c(c1)OCO2 ZINC000160866677 522981846 /nfs/dbraw/zinc/98/18/46/522981846.db2.gz QNENEHUUWPGGRL-ZYHUDNBSSA-N 0 0 294.351 1.937 10 70 CDIERN CCn1cnnc1[C@H]1CCCN(CC(=O)NCC(C)C)C1 ZINC000161319995 523603441 /nfs/dbraw/zinc/60/34/41/523603441.db2.gz RJWKXQRPXAULGP-ZDUSSCGKSA-N 0 0 293.415 1.250 10 70 CDIERN COc1cccc(Cl)c1CC(=O)NC1(C(N)=O)CC1 ZINC000160690741 526092916 /nfs/dbraw/zinc/09/29/16/526092916.db2.gz SFKUVHHQWAVAIJ-UHFFFAOYSA-N 0 0 282.727 1.025 10 70 CDIERN CC1(C)Cc2ccc(C(=O)N3CCC(O)CC3)c(O)c2O1 ZINC000159847655 527775962 /nfs/dbraw/zinc/77/59/62/527775962.db2.gz JGCRMAOQHUBHBW-UHFFFAOYSA-N 0 0 291.347 1.703 10 70 CDIERN Nc1ccc2c(c1)CCC[C@@H]2NC(=O)c1nnc[nH]1 ZINC000159371024 342072801 /nfs/dbraw/zinc/07/28/01/342072801.db2.gz SDKFKBQGCQPRGE-NSHDSACASA-N 0 0 257.297 1.194 10 70 CDIERN COC(=O)CCNC(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000159838842 361879688 /nfs/dbraw/zinc/87/96/88/361879688.db2.gz BALYMVZRENINNU-NEPJUHHUSA-N 0 0 253.342 1.882 10 70 CDIERN CCc1cccc(CC(=O)N2CCC[C@@H](CC(N)=O)C2)c1 ZINC000159957821 361970541 /nfs/dbraw/zinc/97/05/41/361970541.db2.gz VMJPSTPASJZHOK-HNNXBMFYSA-N 0 0 288.391 1.906 10 70 CDIERN CC1(C(=O)N2CCC(OCCCO)CC2)CCC1 ZINC000160049323 539115241 /nfs/dbraw/zinc/11/52/41/539115241.db2.gz ZYCOFQDWOVUHAP-UHFFFAOYSA-N 0 0 255.358 1.567 10 70 CDIERN O=C([C@@H]1C[C@H]1C1CC1)N1CCC(OCCCO)CC1 ZINC000160202371 539115623 /nfs/dbraw/zinc/11/56/23/539115623.db2.gz NVRHQEOURDZRAL-UONOGXRCSA-N 0 0 267.369 1.423 10 70 CDIERN Cc1ccc(CN(C)CCCCS(C)(=O)=O)o1 ZINC000161161250 539117262 /nfs/dbraw/zinc/11/72/62/539117262.db2.gz MNLPYMZYAGZWPI-UHFFFAOYSA-N 0 0 259.371 1.845 10 70 CDIERN Cn1cnnc1CSc1nnnn1-c1ccccc1 ZINC000160942768 362222451 /nfs/dbraw/zinc/22/24/51/362222451.db2.gz YUXLYJGMIZUZPD-UHFFFAOYSA-N 0 0 273.325 1.083 10 70 CDIERN C[C@@H](CO)[C@H](C)NC(=O)c1cc(=O)c2ccccc2[nH]1 ZINC000160414529 362422736 /nfs/dbraw/zinc/42/27/36/362422736.db2.gz WTEIUUWPZAKNQW-UWVGGRQHSA-N 0 0 274.320 1.275 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)NC[C@@]1(C)CCCO1 ZINC000161014660 362480541 /nfs/dbraw/zinc/48/05/41/362480541.db2.gz NWMJWXZWBREHLI-CQSZACIVSA-N 0 0 295.339 1.169 10 70 CDIERN Cc1ccc([C@@H](C)CNS(=O)(=O)c2cnn(C)c2)cc1 ZINC000159692321 345256937 /nfs/dbraw/zinc/25/69/37/345256937.db2.gz IUKJSGBCHGKIGS-LBPRGKRZSA-N 0 0 293.392 1.811 10 70 CDIERN Cc1cc(C[C@@H](C)NC(=O)c2cccc3c[nH]nc32)[nH]n1 ZINC000161100447 362589746 /nfs/dbraw/zinc/58/97/46/362589746.db2.gz NGQVZSIKOVJTNR-SECBINFHSA-N 0 0 283.335 1.955 10 70 CDIERN C[C@@H]1CC[C@H](C)N1C(=O)c1cnc2c(c1)ncn2C ZINC000160796327 346604687 /nfs/dbraw/zinc/60/46/87/346604687.db2.gz WGPTXGCFECIXSU-AOOOYVTPSA-N 0 0 258.325 1.981 10 70 CDIERN C[C@H](C(=O)N[C@@H]1CCc2ncnn2C1)c1cccs1 ZINC000159979762 188450292 /nfs/dbraw/zinc/45/02/92/188450292.db2.gz YJTMZCIMXKEFGC-VHSXEESVSA-N 0 0 276.365 1.574 10 70 CDIERN CCC[C@@H](NC(=O)c1cnsn1)C(=O)OC(C)(C)C ZINC000161475585 188530639 /nfs/dbraw/zinc/53/06/39/188530639.db2.gz IFQQXNMHWBKXIO-MRVPVSSYSA-N 0 0 285.369 1.778 10 70 CDIERN O=C([C@H]1C[C@@H]1C1CC1)N1CCC(OCCCO)CC1 ZINC000160202240 482788120 /nfs/dbraw/zinc/78/81/20/482788120.db2.gz NVRHQEOURDZRAL-KGLIPLIRSA-N 0 0 267.369 1.423 10 70 CDIERN COC(=O)c1cc(C)nc2c1n(C)c(=S)n2C ZINC000217015027 358974923 /nfs/dbraw/zinc/97/49/23/358974923.db2.gz HIDINXRGNFHXTM-UHFFFAOYSA-N 0 0 251.311 1.736 10 70 CDIERN O=C(NCC1(C2CC2)CCC1)N[C@@H]1CCCn2ncnc21 ZINC000159537449 361731420 /nfs/dbraw/zinc/73/14/20/361731420.db2.gz ZYOXVYSJWLKIDV-GFCCVEGCSA-N 0 0 289.383 1.993 10 70 CDIERN CC(C)(NC(=O)CC1CCC(C)(C)CC1)C(N)=O ZINC000160447559 364354177 /nfs/dbraw/zinc/35/41/77/364354177.db2.gz LVAUVSKAOASFBV-UHFFFAOYSA-N 0 0 254.374 1.973 10 70 CDIERN C[C@@H](CO)N(C)C(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 ZINC000160539216 364368918 /nfs/dbraw/zinc/36/89/18/364368918.db2.gz BONVZUIPIBQGJK-IUCAKERBSA-N 0 0 294.376 1.572 10 70 CDIERN CCC[C@@H](NC(N)=O)C(=O)NCCC1=CCCC1 ZINC000161133850 364451100 /nfs/dbraw/zinc/45/11/00/364451100.db2.gz FMTCZENVWPJOKI-LLVKDONJSA-N 0 0 253.346 1.440 10 70 CDIERN OCCN1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161133872 367247868 /nfs/dbraw/zinc/24/78/68/367247868.db2.gz ALJYYNZKMXDANZ-VXGBXAGGSA-N 0 0 275.270 1.805 10 70 CDIERN Cc1nn(C)c(C)c1CNC(=O)c1cnc2c(c1)ncn2C ZINC000160655603 377099928 /nfs/dbraw/zinc/09/99/28/377099928.db2.gz QFDNLFYBYDPGHT-UHFFFAOYSA-N 0 0 298.350 1.249 10 70 CDIERN COCCOCCC(=O)Nc1cc(C2CC2)nc(C)n1 ZINC000160067975 533059687 /nfs/dbraw/zinc/05/96/87/533059687.db2.gz VGVQDIMGCXMFHU-UHFFFAOYSA-N 0 0 279.340 1.654 10 70 CDIERN COC(CN1CCCC[C@H]1c1nnc2n1CCCC2)OC ZINC000160797363 292079119 /nfs/dbraw/zinc/07/91/19/292079119.db2.gz NHOZAZXGEAIACY-LBPRGKRZSA-N 0 0 294.399 1.760 10 70 CDIERN O=C(N[C@@H]1CCOC1)N1CCC[C@H](C(F)(F)F)C1 ZINC000159387234 279874540 /nfs/dbraw/zinc/87/45/40/279874540.db2.gz WCWCZOPOKPWCSX-DTWKUNHWSA-N 0 0 266.263 1.759 10 70 CDIERN COCc1csc(NC(=O)N[C@H](COC)C2CC2)n1 ZINC000160644181 279875637 /nfs/dbraw/zinc/87/56/37/279875637.db2.gz CJVZYWSEROOXGJ-SNVBAGLBSA-N 0 0 285.369 1.836 10 70 CDIERN O=C(Nc1nc2c(s1)CCCC2)NC1(CO)CC1 ZINC000160054233 292776346 /nfs/dbraw/zinc/77/63/46/292776346.db2.gz AWJOARLNACXXEQ-UHFFFAOYSA-N 0 0 267.354 1.668 10 70 CDIERN O=C(NC1(CO)CC1)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000160247766 292781870 /nfs/dbraw/zinc/78/18/70/292781870.db2.gz UJPDNUWKPMNADD-DTWKUNHWSA-N 0 0 267.275 1.709 10 70 CDIERN CCCOc1cccc(CC(=O)NC2(CO)CC2)c1 ZINC000160275244 292782570 /nfs/dbraw/zinc/78/25/70/292782570.db2.gz IVNGHMBKZOPTPA-UHFFFAOYSA-N 0 0 263.337 1.659 10 70 CDIERN COc1ccc(C(=O)CCCC(=O)NC2(CO)CC2)cc1 ZINC000160343381 292784530 /nfs/dbraw/zinc/78/45/30/292784530.db2.gz TYSQCAWYDGVLAI-UHFFFAOYSA-N 0 0 291.347 1.689 10 70 CDIERN CC(C)(C)S(=O)(=O)CC(=O)N1CCCSCC1 ZINC000160772053 292794076 /nfs/dbraw/zinc/79/40/76/292794076.db2.gz QHJGRZXVNSOXOT-UHFFFAOYSA-N 0 0 279.427 1.165 10 70 CDIERN Cc1c(C(=O)N(C)CCC2CC2)cccc1S(N)(=O)=O ZINC000161024721 292798568 /nfs/dbraw/zinc/79/85/68/292798568.db2.gz GODLSJIILIEKIZ-UHFFFAOYSA-N 0 0 296.392 1.515 10 70 CDIERN C[C@H](C[S@@](=O)c1ncccc1Cl)CS(C)(=O)=O ZINC000161060124 292799221 /nfs/dbraw/zinc/79/92/21/292799221.db2.gz XLYVTRYZUAGMEB-BCTVWOGZSA-N 0 0 295.813 1.523 10 70 CDIERN COc1cc(OC)nc(N2CC[C@]3(O)CCCC[C@@H]3C2)n1 ZINC000159815630 295014300 /nfs/dbraw/zinc/01/43/00/295014300.db2.gz YERYKZYUJQULGM-IAQYHMDHSA-N 0 0 293.367 1.625 10 70 CDIERN CC(C)CNC(=O)N1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000160672819 519735483 /nfs/dbraw/zinc/73/54/83/519735483.db2.gz ASBRLXHPKRRUQC-NWDGAFQWSA-N 0 0 267.373 1.343 10 70 CDIERN CC(C)S(=O)(=O)CCCN1CCO[C@@H]2CCCC[C@@H]21 ZINC000161006709 519786649 /nfs/dbraw/zinc/78/66/49/519786649.db2.gz MKGIXVIEJMJRIX-UONOGXRCSA-N 0 0 289.441 1.843 10 70 CDIERN CCCN(CCC)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000161187682 521639069 /nfs/dbraw/zinc/63/90/69/521639069.db2.gz SENANGZYFMJUHV-NSHDSACASA-N 0 0 265.361 1.425 10 70 CDIERN COC(=O)[C@@H]1C[C@H]1C(=O)Nc1ccccc1-n1ccc(C)n1 ZINC000161394539 523804091 /nfs/dbraw/zinc/80/40/91/523804091.db2.gz QRPOCVSZTWCWDE-VXGBXAGGSA-N 0 0 299.330 1.928 10 70 CDIERN COC(=O)[C@H]1C[C@@H]1C(=O)Nc1ccccc1-n1ccc(C)n1 ZINC000161394393 523986621 /nfs/dbraw/zinc/98/66/21/523986621.db2.gz QRPOCVSZTWCWDE-RYUDHWBXSA-N 0 0 299.330 1.928 10 70 CDIERN C[C@H](CO)NC(=O)NCCOCc1ccc(Cl)cc1 ZINC000160511833 524558954 /nfs/dbraw/zinc/55/89/54/524558954.db2.gz HOSKICMZPOFNPR-SNVBAGLBSA-N 0 0 286.759 1.537 10 70 CDIERN O=C([C@H]1CCCCO1)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000160975811 526536233 /nfs/dbraw/zinc/53/62/33/526536233.db2.gz PTBBRNIFRJHADO-HUUCEWRRSA-N 0 0 291.347 1.861 10 70 CDIERN COC(=O)CCNC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000159836052 361875422 /nfs/dbraw/zinc/87/54/22/361875422.db2.gz BIJBYQQANONUDO-MWLCHTKSSA-N 0 0 283.274 1.748 10 70 CDIERN Cc1nc(NC(=O)[C@@H]2CCCN2c2nccs2)n(C)n1 ZINC000159807309 539114745 /nfs/dbraw/zinc/11/47/45/539114745.db2.gz JFEOLPMWCUWULE-VIFPVBQESA-N 0 0 292.368 1.188 10 70 CDIERN COc1ccc(CNC(=O)N(C[C@H](C)O)C(C)C)cn1 ZINC000159651047 363117267 /nfs/dbraw/zinc/11/72/67/363117267.db2.gz UWUYKOXVYPOJSP-NSHDSACASA-N 0 0 281.356 1.391 10 70 CDIERN CNC(=O)[C@H]1CCCN1C(=O)NCCC1=CCCC1 ZINC000160266109 188462848 /nfs/dbraw/zinc/46/28/48/188462848.db2.gz JRCJHUQAMSJWCJ-GFCCVEGCSA-N 0 0 265.357 1.407 10 70 CDIERN CNc1ccc(C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)cn1 ZINC000160904836 188497505 /nfs/dbraw/zinc/49/75/05/188497505.db2.gz BDKMPFRLRYFJEU-BBRMVZONSA-N 0 0 289.379 1.891 10 70 CDIERN O=C(NC1(CO)CC1)c1ccc(-n2cccc2)cc1 ZINC000159816496 237158918 /nfs/dbraw/zinc/15/89/18/237158918.db2.gz UEJLZXIJXFRLKT-UHFFFAOYSA-N 0 0 256.305 1.732 10 70 CDIERN C[C@@H]1OCCN(C(=O)NCc2cccnc2N(C)C)[C@H]1C ZINC000160243621 360979004 /nfs/dbraw/zinc/97/90/04/360979004.db2.gz ONKXGWJGSGVNKG-RYUDHWBXSA-N 0 0 292.383 1.466 10 70 CDIERN O=C(NCC1(C2CC2)CC1)N[C@@H]1CCCn2ncnc21 ZINC000159542101 361732808 /nfs/dbraw/zinc/73/28/08/361732808.db2.gz GVJQROKGTYXCAJ-LLVKDONJSA-N 0 0 275.356 1.602 10 70 CDIERN Cc1cc(C(=O)NCc2nc3c(cccc3C)[nH]2)ncn1 ZINC000160350177 363821321 /nfs/dbraw/zinc/82/13/21/363821321.db2.gz JWCNMYWYIFGSQV-UHFFFAOYSA-N 0 0 281.319 1.900 10 70 CDIERN C[C@@H](O)CCNC(=O)[C@@H](C)c1c(F)cccc1F ZINC000159553739 364233809 /nfs/dbraw/zinc/23/38/09/364233809.db2.gz IBLOEGOIAYRLHH-BDAKNGLRSA-N 0 0 257.280 1.955 10 70 CDIERN CCc1nn(C)c(Cl)c1C(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000160274253 364327352 /nfs/dbraw/zinc/32/73/52/364327352.db2.gz QGVKJSBJXNEDLZ-SCZZXKLOSA-N 0 0 285.775 1.933 10 70 CDIERN CN(C)c1ccc(NC(=O)N[C@H]2CC[C@H](O)CC2)cn1 ZINC000160758387 364405943 /nfs/dbraw/zinc/40/59/43/364405943.db2.gz VOMSDMXZPGGBKQ-KLPPZKSPSA-N 0 0 278.356 1.573 10 70 CDIERN CCOC(=O)[C@@H]1CC[C@H](NC(=O)Cc2ccccc2O)C1 ZINC000160590028 364378477 /nfs/dbraw/zinc/37/84/77/364378477.db2.gz SWUDLLMEPDVQCU-OLZOCXBDSA-N 0 0 291.347 1.783 10 70 CDIERN CC1(CNC(=O)NCCOc2ccc(Cl)cn2)COC1 ZINC000160419201 364349193 /nfs/dbraw/zinc/34/91/93/364349193.db2.gz SGQBAEWRWJELGD-UHFFFAOYSA-N 0 0 299.758 1.450 10 70 CDIERN CCCOCC(=O)N[C@H]1CCN(c2ccccc2OC)C1 ZINC000161112277 364449903 /nfs/dbraw/zinc/44/99/03/364449903.db2.gz QSFSUQNTQBKQOF-ZDUSSCGKSA-N 0 0 292.379 1.817 10 70 CDIERN COc1c(C)cc(S(=O)(=O)N(C)[C@@H](C)CO)cc1C ZINC000161290578 364475221 /nfs/dbraw/zinc/47/52/21/364475221.db2.gz VPKUPNOCADSATC-NSHDSACASA-N 0 0 287.381 1.313 10 70 CDIERN O=C1N[C@@]2(CCSC2)C(=O)N1Cc1nccs1 ZINC000161178488 367482342 /nfs/dbraw/zinc/48/23/42/367482342.db2.gz XPZOQAIGKNJONM-SNVBAGLBSA-N 0 0 269.351 1.071 10 70 CDIERN CC(C)c1ccc(C(=O)NC[C@]2(CCO)CCOC2)cn1 ZINC000160854099 377122514 /nfs/dbraw/zinc/12/25/14/377122514.db2.gz VGPMZTPWEDKWQX-INIZCTEOSA-N 0 0 292.379 1.724 10 70 CDIERN CCOCCO[C@H]1CCN(C(=O)[C@@H](C)C2CCOCC2)C1 ZINC000161298959 377565174 /nfs/dbraw/zinc/56/51/74/377565174.db2.gz DKBWNMJRCFJRPL-ZFWWWQNUSA-N 0 0 299.411 1.703 10 70 CDIERN COC(=O)C1(N(C)C[C@H](C)CS(C)(=O)=O)CCCC1 ZINC000159432187 533228438 /nfs/dbraw/zinc/22/84/38/533228438.db2.gz UOKBZMZXGNSMQQ-NSHDSACASA-N 0 0 291.413 1.085 10 70 CDIERN C[C@]1(O)CCCN(C(=O)N[C@@H]2COc3ccccc32)C1 ZINC000161295882 392631289 /nfs/dbraw/zinc/63/12/89/392631289.db2.gz JYXNRBOXAXULIX-DOMZBBRYSA-N 0 0 276.336 1.677 10 70 CDIERN Cc1ccc(C)c(C(=O)CCC(=O)NC2(CO)CC2)c1 ZINC000160344864 292784176 /nfs/dbraw/zinc/78/41/76/292784176.db2.gz XESSFZVXQAZMMC-UHFFFAOYSA-N 0 0 275.348 1.907 10 70 CDIERN Cc1ccc(NC(=O)CNC(=O)c2cccnc2)c(O)c1 ZINC000160345317 292784488 /nfs/dbraw/zinc/78/44/88/292784488.db2.gz KBYZVQOGLIDLFJ-UHFFFAOYSA-N 0 0 285.303 1.464 10 70 CDIERN Cc1cc(OCC(=O)NC2(CO)CC2)cc(C)c1Cl ZINC000160448514 292787115 /nfs/dbraw/zinc/78/71/15/292787115.db2.gz CBSDSEILIUQJIW-UHFFFAOYSA-N 0 0 283.755 1.977 10 70 CDIERN CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(CO)CC1 ZINC000160456074 292787547 /nfs/dbraw/zinc/78/75/47/292787547.db2.gz MWZVRHKCRWIBBP-SNVBAGLBSA-N 0 0 286.372 1.321 10 70 CDIERN CCCOC(=O)[C@H](C)N1CCOC[C@@H]1c1nc(C)no1 ZINC000161200064 520219106 /nfs/dbraw/zinc/21/91/06/520219106.db2.gz MESZTBKLOHLCIZ-GXSJLCMTSA-N 0 0 283.328 1.093 10 70 CDIERN CCC[C@@H](NC(=O)CCOC)C(=O)OC(C)(C)C ZINC000161326256 520728888 /nfs/dbraw/zinc/72/88/88/520728888.db2.gz XKHBLXUXVOFQQP-SNVBAGLBSA-N 0 0 259.346 1.650 10 70 CDIERN CCC(CC)(CC)CNC(=O)C1CC2(C1)NC(=O)NC2=O ZINC000160740444 521389302 /nfs/dbraw/zinc/38/93/02/521389302.db2.gz YKRMUBKMYBEVDY-UHFFFAOYSA-N 0 0 295.383 1.307 10 70 CDIERN Cn1c(CO)nnc1SCC(=O)CCC1CCCC1 ZINC000160476471 527064000 /nfs/dbraw/zinc/06/40/00/527064000.db2.gz MLEIIBXECAPXHV-UHFFFAOYSA-N 0 0 283.397 1.939 10 70 CDIERN O=C(Cn1cnnn1)N1CC=C(c2ccccc2F)CC1 ZINC000159577640 527407340 /nfs/dbraw/zinc/40/73/40/527407340.db2.gz UTFRJGAZMKWRLK-UHFFFAOYSA-N 0 0 287.298 1.128 10 70 CDIERN CN1CCO[C@H](CNC(=O)C2CCC(C)(C)CC2)C1 ZINC000159587469 361736704 /nfs/dbraw/zinc/73/67/04/361736704.db2.gz LHVRRNPRCRYUKR-CYBMUJFWSA-N 0 0 268.401 1.650 10 70 CDIERN COC(=O)CCNC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000159836326 361878912 /nfs/dbraw/zinc/87/89/12/361878912.db2.gz BIJBYQQANONUDO-GXSJLCMTSA-N 0 0 283.274 1.748 10 70 CDIERN Cc1ncncc1C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000159874750 361893773 /nfs/dbraw/zinc/89/37/73/361893773.db2.gz IRMGDLNTRHMJEE-ZIAGYGMSSA-N 0 0 269.304 1.173 10 70 CDIERN COCCNc1ccccc1CNC(=O)[C@H]1CC[C@H](C)O1 ZINC000159892053 361899733 /nfs/dbraw/zinc/89/97/33/361899733.db2.gz TYYVFDJCWDJIGM-SWLSCSKDSA-N 0 0 292.379 1.929 10 70 CDIERN CCCCOC(=O)[C@@H](C)N1CCC(n2cncn2)CC1 ZINC000159909320 361929055 /nfs/dbraw/zinc/92/90/55/361929055.db2.gz GRPHLFVYYFATQB-GFCCVEGCSA-N 0 0 280.372 1.647 10 70 CDIERN Cc1nc(NC(=O)COC[C@@H]2CCCO2)cc(C2CC2)n1 ZINC000159943223 539115127 /nfs/dbraw/zinc/11/51/27/539115127.db2.gz MHQGPPXDIHBLJS-LBPRGKRZSA-N 0 0 291.351 1.797 10 70 CDIERN CCc1c(C(=O)Nc2ccncc2)[nH]c(C)c1C(N)=O ZINC000159922697 529490632 /nfs/dbraw/zinc/49/06/32/529490632.db2.gz BBFIZGAUIRFOHI-UHFFFAOYSA-N 0 0 272.308 1.632 10 70 CDIERN CC[C@@](C)(O)CNS(=O)(=O)Cc1cccc(OC)c1 ZINC000160310758 529512733 /nfs/dbraw/zinc/51/27/33/529512733.db2.gz JLTQGRJXRKPNFV-CYBMUJFWSA-N 0 0 287.381 1.276 10 70 CDIERN O=C(c1cc(Br)c[nH]1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160076224 342370584 /nfs/dbraw/zinc/37/05/84/342370584.db2.gz NLSBVTNHKQSUOO-AOOOYVTPSA-N 0 0 298.184 1.744 10 70 CDIERN O=C(NC1(CO)CC1)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000160505612 342376136 /nfs/dbraw/zinc/37/61/36/342376136.db2.gz WSRBUUISCUHAGC-YOEHRIQHSA-N 0 0 271.360 1.922 10 70 CDIERN C[C@H](CO)[C@H](C)NC(=O)c1ccc2nccnc2c1 ZINC000160388442 362420047 /nfs/dbraw/zinc/42/00/47/362420047.db2.gz CDJGETVCDWQGSD-ZJUUUORDSA-N 0 0 259.309 1.377 10 70 CDIERN CCOc1c(F)cccc1C(=O)NC[C@@H](C)CCO ZINC000161049019 362514946 /nfs/dbraw/zinc/51/49/46/362514946.db2.gz NKIDBOLKYPWBCZ-JTQLQIEISA-N 0 0 269.316 1.973 10 70 CDIERN CC(C)NC(=O)c1ccc(NC(=O)NC2(CO)CC2)cc1 ZINC000161081090 362562441 /nfs/dbraw/zinc/56/24/41/362562441.db2.gz QXMHTDQAPRABNU-UHFFFAOYSA-N 0 0 291.351 1.471 10 70 CDIERN CC(C)(C)n1ncn(Cc2nnc(C3CC3)o2)c1=O ZINC000159596824 363041029 /nfs/dbraw/zinc/04/10/29/363041029.db2.gz LDEGNVDKEIDLJM-UHFFFAOYSA-N 0 0 263.301 1.109 10 70 CDIERN CCCN(C)S(=O)(=O)Nc1cccc(NC(N)=O)c1 ZINC000161452469 188528363 /nfs/dbraw/zinc/52/83/63/188528363.db2.gz HKQDGKKOLPTOOV-UHFFFAOYSA-N 0 0 286.357 1.176 10 70 CDIERN Cn1cnc2cc(C(=O)N3CCOC[C@H]3C3CC3)cnc21 ZINC000161015283 358783246 /nfs/dbraw/zinc/78/32/46/358783246.db2.gz PHNZVSJWXQVJCL-ZDUSSCGKSA-N 0 0 286.335 1.219 10 70 CDIERN C[C@@H](CS(C)(=O)=O)CS(=O)(=O)C1CCCCC1 ZINC000160391352 363848055 /nfs/dbraw/zinc/84/80/55/363848055.db2.gz QYWQGKRHPWYGRL-JTQLQIEISA-N 0 0 282.427 1.415 10 70 CDIERN CCCn1cc(CN(CC)[C@@H]2CCS(=O)(=O)C2)cn1 ZINC000160560109 364006131 /nfs/dbraw/zinc/00/61/31/364006131.db2.gz QMQFEYMFNMDLIU-CYBMUJFWSA-N 0 0 285.413 1.302 10 70 CDIERN C[C@H](Cc1ccc(O)cc1)N(C)C(=O)CCc1nnc[nH]1 ZINC000160562310 364017701 /nfs/dbraw/zinc/01/77/01/364017701.db2.gz QFTPDRRXCPMKRE-LLVKDONJSA-N 0 0 288.351 1.533 10 70 CDIERN CCC(CC)(CC)NC(=O)CNC(=O)c1cccnc1 ZINC000159777844 364263968 /nfs/dbraw/zinc/26/39/68/364263968.db2.gz UHVCCBMDPUPETO-UHFFFAOYSA-N 0 0 277.368 1.896 10 70 CDIERN COC(=O)[C@@H]1C[C@H]1C(=O)Nc1n[nH]c(-c2ccc(C)o2)n1 ZINC000160298218 364330406 /nfs/dbraw/zinc/33/04/06/364330406.db2.gz DMLRMCODLMJZLG-HTQZYQBOSA-N 0 0 290.279 1.121 10 70 CDIERN O=C(CCS(=O)(=O)C1CCOCC1)Nc1ccccc1 ZINC000160058387 364300576 /nfs/dbraw/zinc/30/05/76/364300576.db2.gz RUGJEOLIUQIUPL-UHFFFAOYSA-N 0 0 297.376 1.609 10 70 CDIERN COc1ccc2c(CC(=O)N(C)[C@@H](C)CO)coc2c1 ZINC000160460888 364356031 /nfs/dbraw/zinc/35/60/31/364356031.db2.gz CQBKNKHEMHAUAB-JTQLQIEISA-N 0 0 277.320 1.823 10 70 CDIERN CCCC[C@H](NC(=O)Cn1cccn1)C(=O)OC(C)(C)C ZINC000161156015 364456650 /nfs/dbraw/zinc/45/66/50/364456650.db2.gz JILYITHXJFDNQN-LBPRGKRZSA-N 0 0 295.383 1.900 10 70 CDIERN COC(=O)[C@H]1CCCN(C(=O)c2ccnn2C(C)C)C1 ZINC000161372610 364484012 /nfs/dbraw/zinc/48/40/12/364484012.db2.gz RYIXGYOMHGNYIP-NSHDSACASA-N 0 0 279.340 1.489 10 70 CDIERN CC(C)c1ccc(C(=O)NCc2ccnn2C)cn1 ZINC000161460545 364496124 /nfs/dbraw/zinc/49/61/24/364496124.db2.gz RPLFLHIGXUXGGR-UHFFFAOYSA-N 0 0 258.325 1.869 10 70 CDIERN CCc1cccc(CC(=O)N[C@@H]2CCCC[C@@H]2C(N)=O)c1 ZINC000161281550 377202624 /nfs/dbraw/zinc/20/26/24/377202624.db2.gz QRRHOTAZSKVFMW-LSDHHAIUSA-N 0 0 288.391 1.952 10 70 CDIERN O=c1c(N2CC[C@]3(O)CCCC[C@@H]3C2)nccn1C1CC1 ZINC000160641102 147720712 /nfs/dbraw/zinc/72/07/12/147720712.db2.gz RJVCHNODLWRSOM-MLGOLLRUSA-N 0 0 289.379 1.710 10 70 CDIERN CC(C)(NC(=O)C=C1CCC(C)(C)CC1)C(N)=O ZINC000160447279 277308078 /nfs/dbraw/zinc/30/80/78/277308078.db2.gz MJRSKKBOFBAXJS-UHFFFAOYSA-N 0 0 252.358 1.893 10 70 CDIERN CN(C)C(=O)CCCNC(=O)C1CCC(F)(F)CC1 ZINC000159644944 292764710 /nfs/dbraw/zinc/76/47/10/292764710.db2.gz HIHPJSFQVBAJQX-UHFFFAOYSA-N 0 0 276.327 1.797 10 70 CDIERN COC(=O)CCCCNC(=O)N(C)C[C@H]1CCC[C@@H]1O ZINC000160124952 292777724 /nfs/dbraw/zinc/77/77/24/292777724.db2.gz NGBJMQYGNASKFQ-NEPJUHHUSA-N 0 0 286.372 1.132 10 70 CDIERN O=C(NC1(CO)CC1)c1ccc(-n2cccc2)c(F)c1 ZINC000160260266 292781858 /nfs/dbraw/zinc/78/18/58/292781858.db2.gz NXLQNDANLWKDQY-UHFFFAOYSA-N 0 0 274.295 1.871 10 70 CDIERN CSc1ccc(O[C@@H](C)C(=O)NC2(CO)CC2)cc1 ZINC000160301527 292783134 /nfs/dbraw/zinc/78/31/34/292783134.db2.gz RGSXJZWOVPNDRA-JTQLQIEISA-N 0 0 281.377 1.817 10 70 CDIERN Cc1cc(C)n(Cc2cccc(C(=O)NC3(CO)CC3)c2)n1 ZINC000160337484 292784334 /nfs/dbraw/zinc/78/43/34/292784334.db2.gz KMYOTXYFUYDDCC-UHFFFAOYSA-N 0 0 299.374 1.803 10 70 CDIERN COCc1cccc(NC(=O)NC2(CO)CC2)c1 ZINC000160644767 292791493 /nfs/dbraw/zinc/79/14/93/292791493.db2.gz YWSJRESPCAULJG-UHFFFAOYSA-N 0 0 250.298 1.479 10 70 CDIERN COC[C@H](O)CCNC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000161063902 292799206 /nfs/dbraw/zinc/79/92/06/292799206.db2.gz ZDFATCVDSSGVKN-WZRBSPASSA-N 0 0 299.317 1.582 10 70 CDIERN CC(C)OCCNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000160809587 482827560 /nfs/dbraw/zinc/82/75/60/482827560.db2.gz CFHBIWFAPWRTOT-SLEUVZQESA-N 0 0 284.400 1.060 10 70 CDIERN CCOCCNC(=O)c1cc(N2CCCC2=O)ccc1F ZINC000160904748 519963815 /nfs/dbraw/zinc/96/38/15/519963815.db2.gz JTYOWHWQVDDGHM-UHFFFAOYSA-N 0 0 294.326 1.719 10 70 CDIERN CCONC(=O)NCC[C@H]1c2ccccc2NC1=O ZINC000161341375 520231757 /nfs/dbraw/zinc/23/17/57/520231757.db2.gz PYXZZGHPEIOIDT-JTQLQIEISA-N 0 0 263.297 1.363 10 70 CDIERN CCCC[C@@H](NC(=O)[C@@H]1CNC(=O)C1)C(=O)OC(C)(C)C ZINC000161226463 521086502 /nfs/dbraw/zinc/08/65/02/521086502.db2.gz REFVTWIKIAWIGM-WDEREUQCSA-N 0 0 298.383 1.139 10 70 CDIERN Cc1ccn2ncc(C(=O)N(C)Cc3cccn3C)c2n1 ZINC000160484496 525620410 /nfs/dbraw/zinc/62/04/10/525620410.db2.gz DKMXRLYPEDBQPN-UHFFFAOYSA-N 0 0 283.335 1.648 10 70 CDIERN CC(C)(C)OC(=O)N[C@@H]1Cc2cnc(=O)[nH]c2C1 ZINC000217920433 534896528 /nfs/dbraw/zinc/89/65/28/534896528.db2.gz YPVVYVHJSQTNBJ-MRVPVSSYSA-N 0 0 251.286 1.174 10 70 CDIERN Cn1cc([C@](C)(O)CNc2nc(C(C)(C)C)ns2)cn1 ZINC000159614596 361752818 /nfs/dbraw/zinc/75/28/18/361752818.db2.gz KTEYJLAOZBFLKY-CYBMUJFWSA-N 0 0 295.412 1.889 10 70 CDIERN Cn1nccc1CNC(=O)c1cccc(-c2nc[nH]n2)c1 ZINC000159803733 361865353 /nfs/dbraw/zinc/86/53/53/361865353.db2.gz GVHXCZBJUYJRHX-UHFFFAOYSA-N 0 0 282.307 1.135 10 70 CDIERN C[C@@H]1CN(C(=O)NCCc2cscn2)C[C@@H](C)O1 ZINC000159565648 539114397 /nfs/dbraw/zinc/11/43/97/539114397.db2.gz AKICHYVATTWFLW-NXEZZACHSA-N 0 0 269.370 1.504 10 70 CDIERN c1cnn(C[C@H]2CN(Cc3cnc4ccccn34)CCO2)c1 ZINC000160095341 362024076 /nfs/dbraw/zinc/02/40/76/362024076.db2.gz ACIVIBCXXJAMTM-OAHLLOKOSA-N 0 0 297.362 1.432 10 70 CDIERN C[C@H](CO)[C@H](C)NC(=O)c1ccc(C(F)(F)F)nc1 ZINC000160397963 362420365 /nfs/dbraw/zinc/42/03/65/362420365.db2.gz HKPPWFFKSNGJHS-SFYZADRCSA-N 0 0 276.258 1.847 10 70 CDIERN O=C(c1ccc(F)nc1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000160537905 362442125 /nfs/dbraw/zinc/44/21/25/362442125.db2.gz JNSQEPZILQGPGE-WFASDCNBSA-N 0 0 278.327 1.988 10 70 CDIERN CCc1noc([C@H](C)N[C@@H]2CCCCC[C@@H]2C(N)=O)n1 ZINC000159412228 344886973 /nfs/dbraw/zinc/88/69/73/344886973.db2.gz NETYIZCHLNVOFQ-GARJFASQSA-N 0 0 280.372 1.717 10 70 CDIERN O=C1[C@@H]2Cc3ccccc3CN2C(=O)N1C1CCC1 ZINC000160880980 362528652 /nfs/dbraw/zinc/52/86/52/362528652.db2.gz UZJWHCZLNLOFRK-ZDUSSCGKSA-N 0 0 256.305 1.928 10 70 CDIERN Cc1ccc(C(=O)N2CC[C@H]3NC(=O)CC[C@@H]3C2)c(C)n1 ZINC000160607571 346177979 /nfs/dbraw/zinc/17/79/79/346177979.db2.gz CRAAJJJUCUNXJM-TZMCWYRMSA-N 0 0 287.363 1.439 10 70 CDIERN CC1(C(=O)NCc2ccc(CN3CCOCC3)cc2)CC1 ZINC000159681403 363183879 /nfs/dbraw/zinc/18/38/79/363183879.db2.gz DEUJIBWWKPIASH-UHFFFAOYSA-N 0 0 288.391 1.935 10 70 CDIERN Cc1nc(C(=O)N(CC(F)F)C(C)C)c(=O)[nH]c1C ZINC000159686018 363192233 /nfs/dbraw/zinc/19/22/33/363192233.db2.gz DOMNBKRNCVJKDK-UHFFFAOYSA-N 0 0 273.283 1.502 10 70 CDIERN CNS(=O)(=O)CC(=O)N[C@H]1CC[C@H](C)c2ccccc21 ZINC000159565553 188431896 /nfs/dbraw/zinc/43/18/96/188431896.db2.gz AMNZAKUHDSPAMA-GWCFXTLKSA-N 0 0 296.392 1.290 10 70 CDIERN C[C@@H](NC(=O)N[C@H]1CCC(=O)N(C)C1)C(C)(C)C ZINC000159795302 363313904 /nfs/dbraw/zinc/31/39/04/363313904.db2.gz CXOYUBNKQPMUOI-ZJUUUORDSA-N 0 0 255.362 1.341 10 70 CDIERN CCc1nc(C(=O)N[C@H](C)Cc2cc(C)n[nH]2)co1 ZINC000159457780 358577628 /nfs/dbraw/zinc/57/76/28/358577628.db2.gz FOJAZJZXYRWZAN-MRVPVSSYSA-N 0 0 262.313 1.630 10 70 CDIERN C[C@@H](C(=O)NC[C@@H]1CN(C2CC2)CCO1)c1cccs1 ZINC000160436582 358640169 /nfs/dbraw/zinc/64/01/69/358640169.db2.gz DZAIJXFFWYSKMM-DGCLKSJQSA-N 0 0 294.420 1.831 10 70 CDIERN O=C(NC1(CO)CC1)c1cc(-c2ccccc2)no1 ZINC000159850056 237158236 /nfs/dbraw/zinc/15/82/36/237158236.db2.gz VAEJCSKIGLFGFA-UHFFFAOYSA-N 0 0 258.277 1.596 10 70 CDIERN CNC(=O)c1cccc(Cn2cnn(C(C)(C)C)c2=O)c1 ZINC000159621416 283489250 /nfs/dbraw/zinc/48/92/50/283489250.db2.gz FRBOWMAWUJMFAY-UHFFFAOYSA-N 0 0 288.351 1.208 10 70 CDIERN O=C(N[C@@H]1COc2ccccc21)[C@H]1CCn2ccnc2C1 ZINC000160998154 359947705 /nfs/dbraw/zinc/94/77/05/359947705.db2.gz GPLUXXSBSQOEAC-WCQYABFASA-N 0 0 283.331 1.695 10 70 CDIERN CC1(C)CCC[C@@H](CC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000160201817 363755002 /nfs/dbraw/zinc/75/50/02/363755002.db2.gz RAAAKMLEVMFYNC-NWDGAFQWSA-N 0 0 287.425 1.896 10 70 CDIERN CC(C)Oc1ccccc1CC(=O)NC1(CO)CC1 ZINC000160338208 363823748 /nfs/dbraw/zinc/82/37/48/363823748.db2.gz XYIKBNWXXAZNPN-UHFFFAOYSA-N 0 0 263.337 1.657 10 70 CDIERN Cc1cccc2[nH]c(CNC(=O)COCC3CC3)nc21 ZINC000160458381 363879123 /nfs/dbraw/zinc/87/91/23/363879123.db2.gz VLMQFTCJSATVCQ-UHFFFAOYSA-N 0 0 273.336 1.914 10 70 CDIERN C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)CCc1nnc[nH]1 ZINC000160562194 364017889 /nfs/dbraw/zinc/01/78/89/364017889.db2.gz QFTPDRRXCPMKRE-NSHDSACASA-N 0 0 288.351 1.533 10 70 CDIERN Cc1cccc2[nH]c(CNC(=O)c3cccc(=O)n3C)nc21 ZINC000160570506 364023098 /nfs/dbraw/zinc/02/30/98/364023098.db2.gz ANDLLNVCHAFJBL-UHFFFAOYSA-N 0 0 296.330 1.500 10 70 CDIERN CC(C)C[C@@H](CO)NC(=O)[C@@H](C)c1cccnc1 ZINC000160639167 364386892 /nfs/dbraw/zinc/38/68/92/364386892.db2.gz PYZYRVMCGROUIT-AAEUAGOBSA-N 0 0 250.342 1.708 10 70 CDIERN COC(=O)CCCc1nnc(NC(=O)N[C@H]2C[C@@H]2C)s1 ZINC000160733873 364402529 /nfs/dbraw/zinc/40/25/29/364402529.db2.gz SXAFBALHEKIFLY-YUMQZZPRSA-N 0 0 298.368 1.564 10 70 CDIERN CC1(CNC(=O)NCCc2ccc(Cl)nc2)COC1 ZINC000160423531 364350428 /nfs/dbraw/zinc/35/04/28/364350428.db2.gz OVEAGTXWCVFKRG-UHFFFAOYSA-N 0 0 283.759 1.613 10 70 CDIERN Cc1ncc(CNC(=O)c2cccc(=O)n2C)s1 ZINC000161017686 364438691 /nfs/dbraw/zinc/43/86/91/364438691.db2.gz MRKDOQLCRCWIKF-UHFFFAOYSA-N 0 0 263.322 1.080 10 70 CDIERN Cc1nn(C)c(C)c1OCC(=O)Oc1c(C)nn(C)c1C ZINC000160838380 364417607 /nfs/dbraw/zinc/41/76/07/364417607.db2.gz REFMWERRPNRNEH-UHFFFAOYSA-N 0 0 292.339 1.372 10 70 CDIERN CC[C@@H](N[C@H](C)C(=O)NC(=O)NC(C)C)c1nccs1 ZINC000161060849 377127912 /nfs/dbraw/zinc/12/79/12/377127912.db2.gz ZTWYWFAQJZACKE-NXEZZACHSA-N 0 0 298.412 1.807 10 70 CDIERN CC(C)OC(=O)CCCNC(=O)NC[C@H](O)C(C)C ZINC000160155975 147709315 /nfs/dbraw/zinc/70/93/15/147709315.db2.gz ZMDAJYCKISAWHK-NSHDSACASA-N 0 0 274.361 1.034 10 70 CDIERN CC[C@@H](NS(=O)(=O)CCCOC)c1nccs1 ZINC000159927561 292773653 /nfs/dbraw/zinc/77/36/53/292773653.db2.gz CAFOAXANKVCUIS-SECBINFHSA-N 0 0 278.399 1.550 10 70 CDIERN CS[C@@H](C)CC(=O)N1CCC[C@H](NC(C)=O)C1 ZINC000160116033 292777933 /nfs/dbraw/zinc/77/79/33/292777933.db2.gz IOCDRHBHZSHFOF-ONGXEEELSA-N 0 0 258.387 1.255 10 70 CDIERN C[C@@H](CO)N(C)C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000160424234 292786520 /nfs/dbraw/zinc/78/65/20/292786520.db2.gz FUGOIJHVVKDVPN-LPEHRKFASA-N 0 0 269.291 1.908 10 70 CDIERN C[C@@H](Oc1cccc(CO)c1)C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000160652325 292792240 /nfs/dbraw/zinc/79/22/40/292792240.db2.gz USCCLHTUJIXEPA-JHJVBQTASA-N 0 0 293.363 1.582 10 70 CDIERN COC[C@](C)(CC(=O)OC)NC(=O)[C@@H]1CC1(C)C ZINC000161389828 292805203 /nfs/dbraw/zinc/80/52/03/292805203.db2.gz DOXFKGDRDKQZTO-ZANVPECISA-N 0 0 257.330 1.117 10 70 CDIERN COC(=O)CCN1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000160664747 523072852 /nfs/dbraw/zinc/07/28/52/523072852.db2.gz NGCNYHPMLYSJPV-GFCCVEGCSA-N 0 0 292.383 1.705 10 70 CDIERN CN(Cc1cccn1C)C(=O)c1cccc(-n2cncn2)c1 ZINC000160571413 523406478 /nfs/dbraw/zinc/40/64/78/523406478.db2.gz UIYVITWXVICCMD-UHFFFAOYSA-N 0 0 295.346 1.878 10 70 CDIERN COc1cccc(Cn2cnn(C(C)(C)C)c2=O)c1 ZINC000159595678 526110381 /nfs/dbraw/zinc/11/03/81/526110381.db2.gz CZEUZBUDIWLLMU-UHFFFAOYSA-N 0 0 261.325 1.857 10 70 CDIERN Cn1cnc2cc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3O4)cnc21 ZINC000159967425 361981385 /nfs/dbraw/zinc/98/13/85/361981385.db2.gz BKWTUODRFHZURE-FOGDFJRCSA-N 0 0 272.308 1.018 10 70 CDIERN CCN(CCCO)C(=O)CN(C)c1ccc(Cl)cn1 ZINC000160514704 539115961 /nfs/dbraw/zinc/11/59/61/539115961.db2.gz UMRAEWOFMOGHOH-UHFFFAOYSA-N 0 0 285.775 1.402 10 70 CDIERN CC(C)C(=O)N1CCC[C@H]1C(=O)NC1CC=CC1 ZINC000160938898 539117073 /nfs/dbraw/zinc/11/70/73/539117073.db2.gz JGXRMENDLFUHBM-LBPRGKRZSA-N 0 0 250.342 1.468 10 70 CDIERN CCc1c(C(=O)Nc2cnn(CC)c2)[nH]c(C)c1C(N)=O ZINC000161446720 529490894 /nfs/dbraw/zinc/49/08/94/529490894.db2.gz FSMJWHBIQGSCBZ-UHFFFAOYSA-N 0 0 289.339 1.453 10 70 CDIERN COC(=O)C1(N(C)C[C@@H](C)CS(C)(=O)=O)CCCC1 ZINC000159432308 362322689 /nfs/dbraw/zinc/32/26/89/362322689.db2.gz UOKBZMZXGNSMQQ-LLVKDONJSA-N 0 0 291.413 1.085 10 70 CDIERN Cc1noc(CCC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)n1 ZINC000160462815 362428716 /nfs/dbraw/zinc/42/87/16/362428716.db2.gz PGBHARMAIDAXHG-IUODEOHRSA-N 0 0 293.367 1.464 10 70 CDIERN CCc1noc(CSC[C@H](C)CS(C)(=O)=O)n1 ZINC000159714064 345260929 /nfs/dbraw/zinc/26/09/29/345260929.db2.gz TYSIMNGTKZJVHP-QMMMGPOBSA-N 0 0 278.399 1.546 10 70 CDIERN CS(=O)(=O)CCCC[S@@](=O)c1ccc(F)c(F)c1 ZINC000160418440 346129764 /nfs/dbraw/zinc/12/97/64/346129764.db2.gz IBACQGCSIRSJML-KRWDZBQOSA-N 0 0 296.360 1.897 10 70 CDIERN Cc1ccc(NC(=O)C(=O)N2CCCSCC2)cn1 ZINC000160406840 188470881 /nfs/dbraw/zinc/47/08/81/188470881.db2.gz BEYILFMFRAYAAS-UHFFFAOYSA-N 0 0 279.365 1.294 10 70 CDIERN CC[N@@H+]1CCC[C@H](NC(=O)NCC2(C3CC3)CC2)C1 ZINC000159738936 363248131 /nfs/dbraw/zinc/24/81/31/363248131.db2.gz ZBKDBDKKSALYQD-ZDUSSCGKSA-N 0 0 265.401 1.960 10 70 CDIERN CCOC(=O)[C@H](C)N[C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159906435 363438914 /nfs/dbraw/zinc/43/89/14/363438914.db2.gz ANKASHUSRIKXNC-RYUDHWBXSA-N 0 0 288.351 1.870 10 70 CDIERN CCc1ccc(CC(=O)N[C@H](C)Cn2cncn2)cc1 ZINC000160853633 358775426 /nfs/dbraw/zinc/77/54/26/358775426.db2.gz PINSTECRUPAWDB-GFCCVEGCSA-N 0 0 272.352 1.588 10 70 CDIERN C[C@@H](C(=O)N(C)CCCn1ccnc1)C1CCOCC1 ZINC000160069735 363639843 /nfs/dbraw/zinc/63/98/43/363639843.db2.gz QUIAXDWUSYOYCU-CYBMUJFWSA-N 0 0 279.384 1.794 10 70 CDIERN CN(C(=O)c1cnc2c(c1)ncn2C)[C@H]1CCSC1 ZINC000160997490 359948883 /nfs/dbraw/zinc/94/88/83/359948883.db2.gz NTDXXZFSFOLUDD-JTQLQIEISA-N 0 0 276.365 1.546 10 70 CDIERN CCOC(C)(C)CNc1ccc(C(=O)NC)nn1 ZINC000159533337 364228673 /nfs/dbraw/zinc/22/86/73/364228673.db2.gz NBWATQMVJWXVAG-UHFFFAOYSA-N 0 0 252.318 1.063 10 70 CDIERN CCc1ncnc(N2C[C@@H](C)[C@H](N3CCOCC3)C2)c1F ZINC000160415502 364349764 /nfs/dbraw/zinc/34/97/64/364349764.db2.gz HNUVXNQEYFCSFO-DGCLKSJQSA-N 0 0 294.374 1.335 10 70 CDIERN CN(C(=O)NCc1cn(C)nc1C(F)(F)F)C1CC1 ZINC000160785755 364409371 /nfs/dbraw/zinc/40/93/71/364409371.db2.gz SMWYIKMRNVKFNS-UHFFFAOYSA-N 0 0 276.262 1.743 10 70 CDIERN CCC[C@H](NC(=O)Cn1cccn1)C(=O)OC(C)(C)C ZINC000161420299 364490498 /nfs/dbraw/zinc/49/04/98/364490498.db2.gz XFVGOQVIMYXBIV-NSHDSACASA-N 0 0 281.356 1.510 10 70 CDIERN CCC[C@H](C)CC(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000160035982 283806294 /nfs/dbraw/zinc/80/62/94/283806294.db2.gz SPXRJENLZGPMJT-NSHDSACASA-N 0 0 275.414 1.848 10 70 CDIERN Cc1cnn(Cc2cc(C(=O)NCCCF)no2)c1 ZINC000160041089 292776516 /nfs/dbraw/zinc/77/65/16/292776516.db2.gz HAEPOEKSTWLQDE-UHFFFAOYSA-N 0 0 266.276 1.317 10 70 CDIERN O=C(NC1(CO)CC1)[C@@H]1SCCc2sccc21 ZINC000160180879 292779342 /nfs/dbraw/zinc/77/93/42/292779342.db2.gz MZPNYEMHHUEJDM-SNVBAGLBSA-N 0 0 269.391 1.720 10 70 CDIERN CC(=O)c1ccc(OCCCC(=O)NC2(CO)CC2)cc1 ZINC000160548280 292789921 /nfs/dbraw/zinc/78/99/21/292789921.db2.gz WHXYLCUOELLBAT-UHFFFAOYSA-N 0 0 291.347 1.689 10 70 CDIERN CC(C)NC(=O)N1CCCN(c2cccnn2)CC1 ZINC000160766532 519710466 /nfs/dbraw/zinc/71/04/66/519710466.db2.gz PQIMQTUBKWDHOD-UHFFFAOYSA-N 0 0 263.345 1.107 10 70 CDIERN CCCCCNC(=O)N1CCCN(c2cccnn2)CC1 ZINC000160767700 520202021 /nfs/dbraw/zinc/20/20/21/520202021.db2.gz CCJDGNYRPFPMAP-UHFFFAOYSA-N 0 0 291.399 1.889 10 70 CDIERN CC[C@H](NS(=O)(=O)c1cnn(C)c1)c1nccs1 ZINC000159958920 361970603 /nfs/dbraw/zinc/97/06/03/361970603.db2.gz ZFUSRAXSDSJRPA-VIFPVBQESA-N 0 0 286.382 1.306 10 70 CDIERN CC(C)(C)OC(=O)N1CCC[C@@]2(CCNC(=O)O2)C1 ZINC000218435732 539077288 /nfs/dbraw/zinc/07/72/88/539077288.db2.gz XDIOHLMWCUTOAL-CYBMUJFWSA-N 0 0 270.329 1.886 10 70 CDIERN CCC(C)(CC)C(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000159438460 539114179 /nfs/dbraw/zinc/11/41/79/539114179.db2.gz FWSLKNAMEPVNRS-CHWSQXEVSA-N 0 0 270.417 1.726 10 70 CDIERN O=C(Nc1cccc(Cn2cccn2)c1)NC1(CO)CC1 ZINC000160641621 539116217 /nfs/dbraw/zinc/11/62/17/539116217.db2.gz XVSYTDIJEKGVDZ-UHFFFAOYSA-N 0 0 286.335 1.578 10 70 CDIERN CC[C@H](CCO)NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000160111334 362395357 /nfs/dbraw/zinc/39/53/57/362395357.db2.gz YCCJFQIYUTZPHO-YPMHNXCESA-N 0 0 283.755 1.921 10 70 CDIERN Cc1cccc(OCCC(=O)N[C@H](C)[C@@H](C)CO)c1 ZINC000160269662 362406637 /nfs/dbraw/zinc/40/66/37/362406637.db2.gz CQQBRLISUYCPDV-QWHCGFSZSA-N 0 0 265.353 1.897 10 70 CDIERN COc1ccccc1NC(=O)CN1CCC(C)(O)CC1 ZINC000161199418 362582456 /nfs/dbraw/zinc/58/24/56/362582456.db2.gz RDQJLNZOYWFMRM-UHFFFAOYSA-N 0 0 278.352 1.481 10 70 CDIERN Cc1ncccc1C(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000159889038 362557386 /nfs/dbraw/zinc/55/73/86/362557386.db2.gz UTRMYPDRQURHFM-UHFFFAOYSA-N 0 0 282.365 1.039 10 70 CDIERN COC(=O)c1nccc(N2CC[C@@]3(O)CCCC[C@@H]3C2)n1 ZINC000160655715 346189060 /nfs/dbraw/zinc/18/90/60/346189060.db2.gz MKMUKVBQZQMISD-ABAIWWIYSA-N 0 0 291.351 1.395 10 70 CDIERN COC(=O)C[C@@H](C)C(=O)Nc1cc(-c2ccncc2)[nH]n1 ZINC000161340259 188522639 /nfs/dbraw/zinc/52/26/39/188522639.db2.gz XUQUKFQKESJIFO-SECBINFHSA-N 0 0 288.307 1.609 10 70 CDIERN Cc1cc(OCC(=O)NC(C2CC2)C2CC2)nn1C ZINC000159803294 363328508 /nfs/dbraw/zinc/32/85/08/363328508.db2.gz AKALJRGVOPSESY-UHFFFAOYSA-N 0 0 263.341 1.412 10 70 CDIERN CCC[C@@H](O)CNC(=O)[C@H](C)Oc1cccc(CO)c1 ZINC000160025401 363592890 /nfs/dbraw/zinc/59/28/90/363592890.db2.gz CMHZNSXWIFHDBU-WCQYABFASA-N 0 0 281.352 1.223 10 70 CDIERN Cc1nc(C)c(CCNC(=O)C[C@H](O)C(C)C)s1 ZINC000159472651 358608266 /nfs/dbraw/zinc/60/82/66/358608266.db2.gz MNHAWPFHTNSKTE-NSHDSACASA-N 0 0 270.398 1.826 10 70 CDIERN Cc1noc([C@H]2COCCN2CC2CCOCC2)n1 ZINC000161054446 358783217 /nfs/dbraw/zinc/78/32/17/358783217.db2.gz CINHJHPUVXAZTJ-GFCCVEGCSA-N 0 0 267.329 1.178 10 70 CDIERN C[C@H](C(=O)NC1(CO)CC1)c1c(F)cccc1F ZINC000160502480 363960717 /nfs/dbraw/zinc/96/07/17/363960717.db2.gz QGSOYBFYNHHMLX-QMMMGPOBSA-N 0 0 255.264 1.709 10 70 CDIERN O=S(=O)(NCCc1ccccc1O)N1CCCCC1 ZINC000159651071 364247652 /nfs/dbraw/zinc/24/76/52/364247652.db2.gz KVWBXYQYYISBBV-UHFFFAOYSA-N 0 0 284.381 1.255 10 70 CDIERN CCOCCCSC[C@H](C)CS(C)(=O)=O ZINC000159811635 364268279 /nfs/dbraw/zinc/26/82/79/364268279.db2.gz DYZFAHHFKAWCGC-JTQLQIEISA-N 0 0 254.417 1.827 10 70 CDIERN CCOCCOCC(=O)NCc1nc2c(cccc2C)[nH]1 ZINC000160364411 364340649 /nfs/dbraw/zinc/34/06/49/364340649.db2.gz NXSIJTAQXGJLHT-UHFFFAOYSA-N 0 0 291.351 1.541 10 70 CDIERN COC[C@H](C)C(=O)NCc1cccnc1OCC(F)F ZINC000160452699 364355880 /nfs/dbraw/zinc/35/58/80/364355880.db2.gz CUQDLPKXVCRVRK-VIFPVBQESA-N 0 0 288.294 1.624 10 70 CDIERN O=C(CNC(=O)c1cccnc1)N1CCC[C@@H]2CCC[C@H]21 ZINC000161329803 364479015 /nfs/dbraw/zinc/47/90/15/364479015.db2.gz VHNYLGUUYCMDPN-GXTWGEPZSA-N 0 0 287.363 1.603 10 70 CDIERN Cc1cc(C[C@@H](C)NC(=O)CSc2ccncc2)[nH]n1 ZINC000161460285 364496248 /nfs/dbraw/zinc/49/62/48/364496248.db2.gz UEDWYEVSNIIIMG-SNVBAGLBSA-N 0 0 290.392 1.953 10 70 CDIERN CCC[C@H]1CN(C(=O)NCCc2nc(C)no2)CCO1 ZINC000160880862 377121812 /nfs/dbraw/zinc/12/18/12/377121812.db2.gz QYHVWUOXIMUPIK-NSHDSACASA-N 0 0 282.344 1.131 10 70 CDIERN CCc1cc(C(=O)N[C@@H]2CCN(C(N)=O)C2)oc1CC ZINC000160441455 377063440 /nfs/dbraw/zinc/06/34/40/377063440.db2.gz MWUWXJJKPLQIKD-SNVBAGLBSA-N 0 0 279.340 1.287 10 70 CDIERN C[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1CCC[C@@H]1CO ZINC000218040763 280090221 /nfs/dbraw/zinc/09/02/21/280090221.db2.gz MBPYXZYJAGBSHL-IACUBPJLSA-N 0 0 290.363 1.082 10 70 CDIERN CC1CCN(C(=O)N(C)Cc2cnn(C)c2)CC1 ZINC000160400534 281788041 /nfs/dbraw/zinc/78/80/41/281788041.db2.gz FAFSNMLIJMPMMT-UHFFFAOYSA-N 0 0 250.346 1.704 10 70 CDIERN Cc1nc(CNC(=O)NC2C[C@H](C)O[C@@H](C)C2)no1 ZINC000159410138 292758063 /nfs/dbraw/zinc/75/80/63/292758063.db2.gz CPNDBQLBKMWZIB-YUMQZZPRSA-N 0 0 268.317 1.133 10 70 CDIERN O=C(NC1(CO)CC1)[C@@H]1SCCc2ccccc21 ZINC000160214290 292780703 /nfs/dbraw/zinc/78/07/03/292780703.db2.gz MDQLJYDMLPLVAG-GFCCVEGCSA-N 0 0 263.362 1.658 10 70 CDIERN C[C@H](Cc1ccccc1F)C(=O)NC1(CO)CC1 ZINC000160246712 292781924 /nfs/dbraw/zinc/78/19/24/292781924.db2.gz PHXHLENYKJGXNS-SNVBAGLBSA-N 0 0 251.301 1.645 10 70 CDIERN Cc1cc(C)cc(OCC(=O)N[C@@H](C)[C@H](C)CO)c1 ZINC000160343233 292784506 /nfs/dbraw/zinc/78/45/06/292784506.db2.gz YRKYKWNKMHUZTH-OLZOCXBDSA-N 0 0 265.353 1.815 10 70 CDIERN COCCC1(CNC(=O)[C@H](C)C2CCOCC2)CC1 ZINC000160364218 292784793 /nfs/dbraw/zinc/78/47/93/292784793.db2.gz ZHTMMFKSVPIJEW-GFCCVEGCSA-N 0 0 269.385 1.982 10 70 CDIERN Cc1conc1NC(=O)C(=O)NCCCC1CC1 ZINC000161279458 292803211 /nfs/dbraw/zinc/80/32/11/292803211.db2.gz ZCSWUJQYGCXUHX-UHFFFAOYSA-N 0 0 251.286 1.228 10 70 CDIERN C[C@@H](Oc1cccc(CO)c1)C(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000161431813 292805969 /nfs/dbraw/zinc/80/59/69/292805969.db2.gz KGNQJKXTRRKMBM-YNEHKIRRSA-N 0 0 293.363 1.582 10 70 CDIERN CS[C@H](C)CC(=O)N1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000160105514 534028382 /nfs/dbraw/zinc/02/83/82/534028382.db2.gz YUQIASOJLUVSQH-AEJSXWLSSA-N 0 0 258.387 1.240 10 70 CDIERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)NC1(C)CCC1)CC2 ZINC000161407655 519871642 /nfs/dbraw/zinc/87/16/42/519871642.db2.gz OBFRHMSLGGQUSH-NSHDSACASA-N 0 0 291.399 1.958 10 70 CDIERN CCN(C(=O)N[C@H]1CCc2ncnn2C1)C1CCCCC1 ZINC000161053537 519990287 /nfs/dbraw/zinc/99/02/87/519990287.db2.gz XCNRESOWRGWNFK-LBPRGKRZSA-N 0 0 291.399 1.957 10 70 CDIERN Cc1ccn(-c2ccccc2NC(=O)[C@H]2CCC(=O)N2)n1 ZINC000161294944 525568612 /nfs/dbraw/zinc/56/86/12/525568612.db2.gz XNHPAQKGESNDKG-GFCCVEGCSA-N 0 0 284.319 1.398 10 70 CDIERN CCc1nnc(CN2CCN(CC(F)F)[C@H](CC)C2)[nH]1 ZINC000160185184 536136111 /nfs/dbraw/zinc/13/61/11/536136111.db2.gz ZQATYFFMMQOHGA-SNVBAGLBSA-N 0 0 287.358 1.528 10 70 CDIERN COC(=O)c1ccc(N2CCC([C@H](C)O)CC2)nc1C ZINC000218013238 536730646 /nfs/dbraw/zinc/73/06/46/536730646.db2.gz OZZFNHUJKIJXNI-NSHDSACASA-N 0 0 278.352 1.774 10 70 CDIERN C[C@@H]1CN(C(=O)c2cnc3c(c2)ncn3C)C[C@H](C)O1 ZINC000161118772 361867012 /nfs/dbraw/zinc/86/70/12/361867012.db2.gz PCEIWVDBWQAIDS-AOOOYVTPSA-N 0 0 274.324 1.218 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)N(C)CCC(C)C ZINC000160233805 539115605 /nfs/dbraw/zinc/11/56/05/539115605.db2.gz PDJKKHVWXKLSGW-UHFFFAOYSA-N 0 0 281.356 1.988 10 70 CDIERN O=C(Cc1cc(Cl)c2c(c1)OCCO2)NC1(CO)CC1 ZINC000160288625 539115743 /nfs/dbraw/zinc/11/57/43/539115743.db2.gz JYHQBBDZAHMGPW-UHFFFAOYSA-N 0 0 297.738 1.295 10 70 CDIERN Cc1ccc(OCCCC(=O)NC2(CO)CC2)cc1 ZINC000160548576 539116078 /nfs/dbraw/zinc/11/60/78/539116078.db2.gz WUIKQVTYBRHNPA-UHFFFAOYSA-N 0 0 263.337 1.795 10 70 CDIERN O=C(NC1CC=CC1)[C@H]1CSCN1C(=O)C1CCCC1 ZINC000161056042 539117161 /nfs/dbraw/zinc/11/71/61/539117161.db2.gz HHJCENORKJMGDF-CYBMUJFWSA-N 0 0 294.420 1.913 10 70 CDIERN CC(C)(C)OC(=O)[C@H]1CCCN1S(=O)(=O)Cl ZINC000202039691 539134950 /nfs/dbraw/zinc/13/49/50/539134950.db2.gz MSXBIUKPGHGNLQ-SSDOTTSWSA-N 0 0 269.750 1.276 10 70 CDIERN COc1ccc2c(c1)C=C(C(=O)NC1(CO)CC1)CO2 ZINC000160394263 342373523 /nfs/dbraw/zinc/37/35/23/342373523.db2.gz XBOBZBCVCSPIDY-UHFFFAOYSA-N 0 0 275.304 1.112 10 70 CDIERN CC[C@H](CCO)NC(=O)[C@@H](C)NC(=O)c1ccccc1 ZINC000160098020 362394302 /nfs/dbraw/zinc/39/43/02/362394302.db2.gz DDBWSBDXRWUVGU-DGCLKSJQSA-N 0 0 278.352 1.082 10 70 CDIERN O=C(CCn1ccnc1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160372491 362419299 /nfs/dbraw/zinc/41/92/99/362419299.db2.gz BOCRLBXWXHKQOI-HIFRSBDPSA-N 0 0 277.368 1.427 10 70 CDIERN COC(=O)[C@H]1CCCN(C(=O)C[C@H](C)c2ccncc2)C1 ZINC000160371432 346045297 /nfs/dbraw/zinc/04/52/97/346045297.db2.gz DRDZYRUFWQQBKP-JSGCOSHPSA-N 0 0 290.363 1.987 10 70 CDIERN Cc1ccc(NC(=O)CS(=O)(=O)C2CCOCC2)cc1 ZINC000160087758 188454715 /nfs/dbraw/zinc/45/47/15/188454715.db2.gz CSXFXYSKXUIGMH-UHFFFAOYSA-N 0 0 297.376 1.527 10 70 CDIERN C[C@@H](CO)[C@H](C)NC(=O)Cc1ccc2c(c1)CCC2 ZINC000160330771 188466439 /nfs/dbraw/zinc/46/64/39/188466439.db2.gz FMOULSXWHADNNM-RYUDHWBXSA-N 0 0 261.365 1.851 10 70 CDIERN CC(C)(C)C1=CCN(C(=O)C2=NNC(=O)CC2)CC1 ZINC000160955740 188500452 /nfs/dbraw/zinc/50/04/52/188500452.db2.gz FNMGROXSWZDCQS-UHFFFAOYSA-N 0 0 263.341 1.457 10 70 CDIERN COCCCNC(=O)C[N@H+](CCc1nccs1)C(C)C ZINC000159754874 363278331 /nfs/dbraw/zinc/27/83/31/363278331.db2.gz CQHBASNRRSOSBS-UHFFFAOYSA-N 0 0 299.440 1.549 10 70 CDIERN Cc1ccc(C(=O)Nc2c[nH]c(=O)c(C)c2)c(C)n1 ZINC000159448199 358564635 /nfs/dbraw/zinc/56/46/35/358564635.db2.gz HUINTRGIIPJLQC-UHFFFAOYSA-N 0 0 257.293 1.947 10 70 CDIERN CC[C@@H](C(N)=O)N1CCN([C@H](C)c2cccc(F)c2)CC1 ZINC000159488531 358643713 /nfs/dbraw/zinc/64/37/13/358643713.db2.gz SWYJASVVZZBJBH-DOMZBBRYSA-N 0 0 293.386 1.768 10 70 CDIERN Cc1cc(CN2CCCn3nc(CO)cc3C2)on1 ZINC000217498691 359006212 /nfs/dbraw/zinc/00/62/12/359006212.db2.gz RLDUBYSHWAIQMX-UHFFFAOYSA-N 0 0 262.313 1.078 10 70 CDIERN Cc1[nH]nc2ncc(NC(=O)[C@@H]3CC[C@@H](C)O3)cc12 ZINC000159660003 237154798 /nfs/dbraw/zinc/15/47/98/237154798.db2.gz LYERAWGFAVECLS-HQJQHLMTSA-N 0 0 260.297 1.772 10 70 CDIERN Cc1ccc(C(=O)CCC(=O)NC2(CO)CC2)cc1 ZINC000160227970 363777618 /nfs/dbraw/zinc/77/76/18/363777618.db2.gz ZSZMKDZDAGVMGX-UHFFFAOYSA-N 0 0 261.321 1.599 10 70 CDIERN Cc1c(C(=O)NC2(CO)CC2)cnn1-c1ccccc1C ZINC000160257594 363798255 /nfs/dbraw/zinc/79/82/55/363798255.db2.gz KLSIISZIGRMVCC-UHFFFAOYSA-N 0 0 285.347 1.744 10 70 CDIERN CCCN(C)c1ccc(C(=O)NC2(CO)CC2)cc1 ZINC000160302339 363816455 /nfs/dbraw/zinc/81/64/55/363816455.db2.gz BDFRVNGNPNKERM-UHFFFAOYSA-N 0 0 262.353 1.788 10 70 CDIERN CCO[C@H](C)C(=O)NCc1nc2c(cccc2C)[nH]1 ZINC000160305603 363818146 /nfs/dbraw/zinc/81/81/46/363818146.db2.gz VPZKASOINKEBBD-SNVBAGLBSA-N 0 0 261.325 1.913 10 70 CDIERN CC(C)CC(=O)N1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000159449262 364207430 /nfs/dbraw/zinc/20/74/30/364207430.db2.gz NKCNHXCDNGHRSH-QWHCGFSZSA-N 0 0 281.352 1.977 10 70 CDIERN O[C@@H](C[C@@H]1COCCN1CC(F)(F)F)c1ccco1 ZINC000159594354 364239590 /nfs/dbraw/zinc/23/95/90/364239590.db2.gz XQIIKBNUBSHPLM-ZJUUUORDSA-N 0 0 279.258 1.966 10 70 CDIERN CSCCCCC(=O)NC[C@H](C)N1CCOCC1 ZINC000159648276 364245402 /nfs/dbraw/zinc/24/54/02/364245402.db2.gz ULVUQSQFPHOPND-LBPRGKRZSA-N 0 0 274.430 1.357 10 70 CDIERN C[C@@H](C(=O)NC1(CO)CC1)N1CCc2ccccc2C1 ZINC000160320183 364335023 /nfs/dbraw/zinc/33/50/23/364335023.db2.gz UWSRXACDODZQTA-LBPRGKRZSA-N 0 0 274.364 1.074 10 70 CDIERN C[C@@H](CO)N(C)C(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1 ZINC000160521130 364366190 /nfs/dbraw/zinc/36/61/90/364366190.db2.gz XXNUOVCZNDWHTK-UHIISALHSA-N 0 0 290.363 1.734 10 70 CDIERN OCc1nnc(Sc2ccnc(C3CC3)n2)n1C1CC1 ZINC000161112424 364449255 /nfs/dbraw/zinc/44/92/55/364449255.db2.gz PEDAQYRDZWJCSJ-UHFFFAOYSA-N 0 0 289.364 1.924 10 70 CDIERN CC[C@H](C)OCC(=O)N1CCC[C@@H]1Cn1ccnc1C ZINC000161359857 364482801 /nfs/dbraw/zinc/48/28/01/364482801.db2.gz GDIACYQDWVDXOU-GXTWGEPZSA-N 0 0 279.384 1.998 10 70 CDIERN Cc1cc(C[C@H](C)NC(=O)[C@H](C)OC[C@@H]2CCCO2)[nH]n1 ZINC000161402772 364488050 /nfs/dbraw/zinc/48/80/50/364488050.db2.gz ZPXFVJTXLFZGSY-JKOKRWQUSA-N 0 0 295.383 1.349 10 70 CDIERN O=C(Nc1ccc(N2CCOCC2)nc1)[C@H]1CCCCO1 ZINC000160490679 369938338 /nfs/dbraw/zinc/93/83/38/369938338.db2.gz HJZCTWQMFBHFDT-CYBMUJFWSA-N 0 0 291.351 1.426 10 70 CDIERN CCNC(=O)C(C)(C)CNC(=O)[C@@H](C)C1CCOCC1 ZINC000160859169 377121786 /nfs/dbraw/zinc/12/17/86/377121786.db2.gz VQMWDWUDAUGFFC-NSHDSACASA-N 0 0 284.400 1.328 10 70 CDIERN CC[C@@H](C)NC(=O)N[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000217286513 140162916 /nfs/dbraw/zinc/16/29/16/140162916.db2.gz VVAIJELZVADHPM-OCCSQVGLSA-N 0 0 289.379 1.885 10 70 CDIERN COc1ccc(-c2cc(C(=O)NC3(CO)CC3)[nH]n2)cc1 ZINC000160299428 292783276 /nfs/dbraw/zinc/78/32/76/292783276.db2.gz XXVRYXGQZHHULX-UHFFFAOYSA-N 0 0 287.319 1.340 10 70 CDIERN CC(=O)Nc1ccc(NC(=O)NC2(CO)CC2)cc1 ZINC000160368145 292785517 /nfs/dbraw/zinc/78/55/17/292785517.db2.gz GNBSDTPVMTYMAG-UHFFFAOYSA-N 0 0 263.297 1.291 10 70 CDIERN CC[C@H](C)CS(=O)(=O)C[C@@H](C)CS(C)(=O)=O ZINC000160395301 292786492 /nfs/dbraw/zinc/78/64/92/292786492.db2.gz ZKJCDUIPWDUALD-UWVGGRQHSA-N 0 0 270.416 1.128 10 70 CDIERN CCNC(=O)C1CN(C(=O)CCc2ccc(F)cc2F)C1 ZINC000161302083 292803829 /nfs/dbraw/zinc/80/38/29/292803829.db2.gz CHBTZSASZGWQGK-UHFFFAOYSA-N 0 0 296.317 1.492 10 70 CDIERN CCSc1cccc(C(=O)NCC[C@@H](O)COC)c1 ZINC000161425947 292805950 /nfs/dbraw/zinc/80/59/50/292805950.db2.gz BCUMNQKZKNNEKI-GFCCVEGCSA-N 0 0 283.393 1.926 10 70 CDIERN CCCCOC(=O)CCN1CCOC[C@H]1c1nc(C)no1 ZINC000160986386 520706284 /nfs/dbraw/zinc/70/62/84/520706284.db2.gz NZTKNTRBHWAAKP-LBPRGKRZSA-N 0 0 297.355 1.485 10 70 CDIERN CCOC(=O)[C@H](C)N1CCC[C@@H](c2nncn2CC)C1 ZINC000161349226 521199292 /nfs/dbraw/zinc/19/92/92/521199292.db2.gz QKJTYIRIWZSIDJ-NWDGAFQWSA-N 0 0 280.372 1.429 10 70 CDIERN CCc1onc(C)c1C(=O)N1CCS[C@@H]2COCC[C@@H]21 ZINC000160971285 523035227 /nfs/dbraw/zinc/03/52/27/523035227.db2.gz WCWVFUZZZQABFR-CMPLNLGQSA-N 0 0 296.392 1.892 10 70 CDIERN COC(=O)[C@H]1CN(C(=O)C2CCC(F)(F)CC2)CCO1 ZINC000161002274 523968184 /nfs/dbraw/zinc/96/81/84/523968184.db2.gz IYYBIMMPPGWHLA-SNVBAGLBSA-N 0 0 291.294 1.212 10 70 CDIERN Cc1noc([C@H]2COCCN2CCOCCC(C)C)n1 ZINC000160783404 526673202 /nfs/dbraw/zinc/67/32/02/526673202.db2.gz VRZMHMJRYSBANG-CYBMUJFWSA-N 0 0 283.372 1.814 10 70 CDIERN Cc1nc(CC(=O)NCC[C@@H](O)C(C)C)c(C)s1 ZINC000159467168 526790322 /nfs/dbraw/zinc/79/03/22/526790322.db2.gz JPKDIVDJKSLHRY-GFCCVEGCSA-N 0 0 270.398 1.826 10 70 CDIERN COC[C@@H](O)CNC(=O)/C=C\c1ccc(Cl)cc1 ZINC000217129710 617239597 /nfs/dbraw/zinc/23/95/97/617239597.db2.gz LZTMNYHQMDZBRR-KMSCOEIWSA-N 0 0 269.728 1.477 10 70 CDIERN CCc1ncnc(NC[C@H]2CN(CC)CCO2)c1F ZINC000218009397 617851544 /nfs/dbraw/zinc/85/15/44/617851544.db2.gz LECDFPCIXGIDSE-JTQLQIEISA-N 0 0 268.336 1.311 10 70 CDIERN Cc1nc(NC(=O)Cc2cnn(C)c2)cc(C2CC2)n1 ZINC000159882926 539114982 /nfs/dbraw/zinc/11/49/82/539114982.db2.gz UGMQLUZYPYVLDO-UHFFFAOYSA-N 0 0 271.324 1.577 10 70 CDIERN CCOC(=O)C[C@H](C)NC(=O)CCOCC(C)C ZINC000160073095 362017967 /nfs/dbraw/zinc/01/79/67/362017967.db2.gz BGMRLVFYVUCKBX-NSHDSACASA-N 0 0 259.346 1.507 10 70 CDIERN CNC(=O)[C@@H]1CCCN1C(=O)N[C@@H](C)CC(C)C ZINC000160219331 529902511 /nfs/dbraw/zinc/90/25/11/529902511.db2.gz ZLXICMFYCAGIFO-QWRGUYRKSA-N 0 0 255.362 1.341 10 70 CDIERN COc1ccccc1NC(=O)CN1CC[C@H](O)[C@H](C)C1 ZINC000159436380 362322794 /nfs/dbraw/zinc/32/27/94/362322794.db2.gz NONXRDKOMMDWQZ-YPMHNXCESA-N 0 0 278.352 1.336 10 70 CDIERN CC[C@H](CCO)NC(=O)c1cccc(NC(C)=O)c1 ZINC000160072133 362392795 /nfs/dbraw/zinc/39/27/95/362392795.db2.gz ZKWPITRWOPVDJP-GFCCVEGCSA-N 0 0 264.325 1.536 10 70 CDIERN Cc1ccc([C@@H](C)CNS(=O)(=O)c2c[nH]cn2)cc1 ZINC000159674219 363182821 /nfs/dbraw/zinc/18/28/21/363182821.db2.gz NBUKJTCACYEJKE-NSHDSACASA-N 0 0 279.365 1.800 10 70 CDIERN C[C@@H](CO)N(C)C(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1 ZINC000160521248 188478176 /nfs/dbraw/zinc/47/81/76/188478176.db2.gz XXNUOVCZNDWHTK-COPLHBTASA-N 0 0 290.363 1.734 10 70 CDIERN O=C(Nc1ccc(F)c(F)c1)N[C@H]1CCc2ncnn2C1 ZINC000161293359 188520116 /nfs/dbraw/zinc/52/01/16/188520116.db2.gz DEOBIFSHCCIZLT-VIFPVBQESA-N 0 0 293.277 1.693 10 70 CDIERN C[C@@H](COc1ccccc1)C(=O)N(C)CC(=O)NC1CC1 ZINC000159772640 363294398 /nfs/dbraw/zinc/29/43/98/363294398.db2.gz HDYXYEKOAOPXGV-LBPRGKRZSA-N 0 0 290.363 1.439 10 70 CDIERN Cc1cccc(OCCCC(=O)NC2(CO)CC2)c1 ZINC000159826589 237161100 /nfs/dbraw/zinc/16/11/00/237161100.db2.gz HBIPRYYIPBLYJR-UHFFFAOYSA-N 0 0 263.337 1.795 10 70 CDIERN Cc1nc(-c2ccc(C(=O)N(C)[C@@H](C)CO)cc2)n[nH]1 ZINC000160480767 237177425 /nfs/dbraw/zinc/17/74/25/237177425.db2.gz KUAFGZFPZUILQH-VIFPVBQESA-N 0 0 274.324 1.233 10 70 CDIERN Cc1cc(NC(=O)c2nc(C)c(C)[nH]c2=O)ccc1O ZINC000160667794 360444951 /nfs/dbraw/zinc/44/49/51/360444951.db2.gz FIKUQRNDHSJDEA-UHFFFAOYSA-N 0 0 273.292 1.653 10 70 CDIERN Cc1cc(C[C@@H](C)NC(=O)c2c(C)nn(C)c2C)[nH]n1 ZINC000161193495 361263454 /nfs/dbraw/zinc/26/34/54/361263454.db2.gz HYGKYNGRLMQBFU-MRVPVSSYSA-N 0 0 275.356 1.429 10 70 CDIERN C[C@@H](CC(=O)NC1(CO)CC1)c1cccc(F)c1 ZINC000160214915 363770408 /nfs/dbraw/zinc/77/04/08/363770408.db2.gz TYMBEWAOTIIOQZ-JTQLQIEISA-N 0 0 251.301 1.960 10 70 CDIERN COc1ccccc1C[C@@H](C)CC(=O)NC1(CO)CC1 ZINC000160245028 363792474 /nfs/dbraw/zinc/79/24/74/363792474.db2.gz OGTJQWWOULYWBI-GFCCVEGCSA-N 0 0 277.364 1.905 10 70 CDIERN O=C(NC1(CO)CC1)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000160247403 363793883 /nfs/dbraw/zinc/79/38/83/363793883.db2.gz UJPDNUWKPMNADD-BDAKNGLRSA-N 0 0 267.275 1.709 10 70 CDIERN CSc1ccc(O[C@H](C)C(=O)NC2(CO)CC2)cc1 ZINC000160301665 363816262 /nfs/dbraw/zinc/81/62/62/363816262.db2.gz RGSXJZWOVPNDRA-SNVBAGLBSA-N 0 0 281.377 1.817 10 70 CDIERN O=C(Cn1ccc2ccc(Cl)cc21)NC1(CO)CC1 ZINC000160340872 363823668 /nfs/dbraw/zinc/82/36/68/363823668.db2.gz MUWNRWRSYOACII-UHFFFAOYSA-N 0 0 278.739 1.936 10 70 CDIERN CCC(CC)S(=O)(=O)C[C@H](C)CS(C)(=O)=O ZINC000160371059 363841887 /nfs/dbraw/zinc/84/18/87/363841887.db2.gz VTPJNTRPQBIBSD-SECBINFHSA-N 0 0 270.416 1.271 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)N1CCS[C@H](C)C1 ZINC000160493854 363940971 /nfs/dbraw/zinc/94/09/71/363940971.db2.gz QOQQVALGOLMUJL-MRVPVSSYSA-N 0 0 297.380 1.448 10 70 CDIERN O[C@H](C[C@H]1COCCN1CC(F)(F)F)c1ccco1 ZINC000159594514 364239722 /nfs/dbraw/zinc/23/97/22/364239722.db2.gz XQIIKBNUBSHPLM-VHSXEESVSA-N 0 0 279.258 1.966 10 70 CDIERN CCCOCC(=O)N1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000159628150 364243099 /nfs/dbraw/zinc/24/30/99/364243099.db2.gz GFBTTXQWZKEDAE-OLZOCXBDSA-N 0 0 297.351 1.357 10 70 CDIERN Cc1cc(CN(C)C(=O)c2ccc(=O)[nH]c2C)no1 ZINC000159656378 364247558 /nfs/dbraw/zinc/24/75/58/364247558.db2.gz AWDRJYKTTRIZKQ-UHFFFAOYSA-N 0 0 261.281 1.664 10 70 CDIERN Cn1nccc1CNC(=O)NCc1nc(C2CC2)cs1 ZINC000159757030 364262255 /nfs/dbraw/zinc/26/22/55/364262255.db2.gz KLWPADVODQBBST-UHFFFAOYSA-N 0 0 291.380 1.753 10 70 CDIERN O=C(NC1CC1)[C@@H]1CCCN1C(=O)NCCC1=CCCC1 ZINC000160266630 364327340 /nfs/dbraw/zinc/32/73/40/364327340.db2.gz FUIFYBICRXAACU-AWEZNQCLSA-N 0 0 291.395 1.939 10 70 CDIERN CCc1nn(C)c(Cl)c1C(=O)N[C@H](C)[C@H]1CCCO1 ZINC000160274513 364327457 /nfs/dbraw/zinc/32/74/57/364327457.db2.gz QGVKJSBJXNEDLZ-PSASIEDQSA-N 0 0 285.775 1.933 10 70 CDIERN COC(=O)CCCc1nnc(NC(=O)N[C@H]2C[C@H]2C)s1 ZINC000160733771 364403054 /nfs/dbraw/zinc/40/30/54/364403054.db2.gz SXAFBALHEKIFLY-SFYZADRCSA-N 0 0 298.368 1.564 10 70 CDIERN CCO[C@@H](C)C(=O)N[C@H]1CCN(c2ccccc2OC)C1 ZINC000161172551 364458014 /nfs/dbraw/zinc/45/80/14/364458014.db2.gz AKEDXBJIUARVEI-STQMWFEESA-N 0 0 292.379 1.815 10 70 CDIERN COC(=O)[C@H](N[C@@H]1CCC(=O)N(C)C1)c1ccc(F)cc1 ZINC000161200491 364462537 /nfs/dbraw/zinc/46/25/37/364462537.db2.gz NVFSBLVGODYUAH-TZMCWYRMSA-N 0 0 294.326 1.250 10 70 CDIERN Cc1c(C(=O)N[C@@H]2C[C@@H]2C)cnn1C1CCOCC1 ZINC000161281580 364473413 /nfs/dbraw/zinc/47/34/13/364473413.db2.gz HQEPOMOWAHHOKA-TVQRCGJNSA-N 0 0 263.341 1.681 10 70 CDIERN C[C@H](CCO)NC(=O)N[C@H](C)c1ccc2c(c1)OCO2 ZINC000161507323 373789325 /nfs/dbraw/zinc/78/93/25/373789325.db2.gz KBLVEUDPCYXVJY-NXEZZACHSA-N 0 0 280.324 1.546 10 70 CDIERN Cc1cc(C)n2nc(CC(=O)NCC3(C4CC4)CC3)nc2n1 ZINC000160195610 378145956 /nfs/dbraw/zinc/14/59/56/378145956.db2.gz RKTNHLHPJUJTCA-UHFFFAOYSA-N 0 0 299.378 1.590 10 70 CDIERN COCc1csc(NC(=O)N2CCC[C@@H]([C@@H](C)O)C2)n1 ZINC000159410619 292758368 /nfs/dbraw/zinc/75/83/68/292758368.db2.gz AWAPGJGERGDKKW-NXEZZACHSA-N 0 0 299.396 1.914 10 70 CDIERN Cc1cc(NC(=O)[C@@H](C)c2cccnc2)c[nH]c1=O ZINC000159825341 292770542 /nfs/dbraw/zinc/77/05/42/292770542.db2.gz STHWDEPMSBEXMP-JTQLQIEISA-N 0 0 257.293 1.821 10 70 CDIERN CC(C)[C@@H](O)CNC(=O)[C@H](C)Oc1cccc(CO)c1 ZINC000160002132 292775823 /nfs/dbraw/zinc/77/58/23/292775823.db2.gz LDHYKJSLPXCQJE-FZMZJTMJSA-N 0 0 281.352 1.079 10 70 CDIERN CCc1cccc(CC(=O)NC[C@]2(O)CCSC2)c1 ZINC000160224126 292780668 /nfs/dbraw/zinc/78/06/68/292780668.db2.gz ZAAVDAAKQXUDAK-OAHLLOKOSA-N 0 0 279.405 1.776 10 70 CDIERN COc1ccccc1OCCC(=O)NC1(CO)CC1 ZINC000160231056 292781304 /nfs/dbraw/zinc/78/13/04/292781304.db2.gz VDBYLHRIRHZRRI-UHFFFAOYSA-N 0 0 265.309 1.105 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)N(C)[C@H](C)CC ZINC000160228691 292781367 /nfs/dbraw/zinc/78/13/67/292781367.db2.gz YIXFRGBVAAWPMX-MRVPVSSYSA-N 0 0 267.329 1.741 10 70 CDIERN C[C@]1(C(=O)N2CC[C@H](C(N)=O)C2)CCCc2ccccc21 ZINC000160481327 292787705 /nfs/dbraw/zinc/78/77/05/292787705.db2.gz DWDJUCBEPRSXLX-GUYCJALGSA-N 0 0 286.375 1.614 10 70 CDIERN CC(=O)N(C)CC(=O)Nc1ccccc1-n1ccc(C)n1 ZINC000161410570 519446745 /nfs/dbraw/zinc/44/67/45/519446745.db2.gz VCKPUQQBHAZFCL-UHFFFAOYSA-N 0 0 286.335 1.598 10 70 CDIERN CC(C)(C)NC(=O)CNC(=O)N[C@@H]1CCOC(C)(C)C1 ZINC000161219540 526310309 /nfs/dbraw/zinc/31/03/09/526310309.db2.gz IYIPCCXLDJARAN-SNVBAGLBSA-N 0 0 285.388 1.158 10 70 CDIERN CC(=O)c1cc(C(=O)N[C@H](C)Cc2cc(C)n[nH]2)n(C)c1 ZINC000161351826 527202394 /nfs/dbraw/zinc/20/23/94/527202394.db2.gz XQIMOOFTKDDKAT-SECBINFHSA-N 0 0 288.351 1.620 10 70 CDIERN CC(C)OCCNC(=O)[C@H]1CCCN1c1nccs1 ZINC000159804863 535335743 /nfs/dbraw/zinc/33/57/43/535335743.db2.gz IHVDXTZKGQJJHH-LLVKDONJSA-N 0 0 283.397 1.653 10 70 CDIERN Cn1cc(C[C@H]2CCN(C(=O)[C@@H]3CC3(C)C)C2)cn1 ZINC000159833727 361873737 /nfs/dbraw/zinc/87/37/37/361873737.db2.gz UWVMVVORUZTCCB-YPMHNXCESA-N 0 0 261.369 1.857 10 70 CDIERN CCN1C[C@@H](C(=O)Nc2cc(C3CC3)nc(C)n2)CC1=O ZINC000160176290 539115597 /nfs/dbraw/zinc/11/55/97/539115597.db2.gz XJDJALMJTKCKDS-NSHDSACASA-N 0 0 288.351 1.469 10 70 CDIERN O=C([C@H]1CCCS1)N1CCC(OCCCO)CC1 ZINC000160248454 539115736 /nfs/dbraw/zinc/11/57/36/539115736.db2.gz DFITUHPQIGUNRZ-GFCCVEGCSA-N 0 0 273.398 1.272 10 70 CDIERN CCc1cc(NC(=O)COc2c(C)nn(C)c2C)n[nH]1 ZINC000161113583 539117265 /nfs/dbraw/zinc/11/72/65/539117265.db2.gz HGFLXTVCXAZSPD-UHFFFAOYSA-N 0 0 277.328 1.340 10 70 CDIERN c1cnn(C[C@@H]2CN(Cc3cnc4ccccn34)CCO2)c1 ZINC000160095195 362024247 /nfs/dbraw/zinc/02/42/47/362024247.db2.gz ACIVIBCXXJAMTM-HNNXBMFYSA-N 0 0 297.362 1.432 10 70 CDIERN Cc1cc(C(=O)N[C@H](C)c2cn(-c3ccccc3)nn2)[nH]n1 ZINC000160155340 362039626 /nfs/dbraw/zinc/03/96/26/362039626.db2.gz VKGGILUXIIHFJA-LLVKDONJSA-N 0 0 296.334 1.790 10 70 CDIERN CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)NC1CCCC1 ZINC000159964255 362381913 /nfs/dbraw/zinc/38/19/13/362381913.db2.gz NGHCTRDKOPKDLH-JMSVASOKSA-N 0 0 266.385 1.578 10 70 CDIERN CCn1nc(C)cc1C(=O)N1CCOC(C)(C)C1 ZINC000160093569 345583187 /nfs/dbraw/zinc/58/31/87/345583187.db2.gz QTRBFOHYQLLBJU-UHFFFAOYSA-N 0 0 251.330 1.462 10 70 CDIERN CCCCCC(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000160018295 282648352 /nfs/dbraw/zinc/64/83/52/282648352.db2.gz UYWWWULPCTVJFF-UHFFFAOYSA-N 0 0 261.387 1.602 10 70 CDIERN Cc1cc(OCC(=O)NCCCc2ccccc2)nn1C ZINC000159827523 363356169 /nfs/dbraw/zinc/35/61/69/363356169.db2.gz CGMZNMWTEJHQOY-UHFFFAOYSA-N 0 0 287.363 1.856 10 70 CDIERN COc1ccc(OCCC(=O)NC2(CO)CC2)cc1 ZINC000160315663 237174814 /nfs/dbraw/zinc/17/48/14/237174814.db2.gz PADBGXWGAZEQAO-UHFFFAOYSA-N 0 0 265.309 1.105 10 70 CDIERN Cc1nc(NC(=O)[C@H]2CC(=O)N(C)C2)cc(C2CC2)n1 ZINC000160295883 237175135 /nfs/dbraw/zinc/17/51/35/237175135.db2.gz VBJBSNDBMFWDHM-JTQLQIEISA-N 0 0 274.324 1.079 10 70 CDIERN COCCc1cc(NC(=O)N(C)CCC2CC2)n(C)n1 ZINC000160561370 237177143 /nfs/dbraw/zinc/17/71/43/237177143.db2.gz DLUUZTCFZVVWOG-UHFFFAOYSA-N 0 0 280.372 1.873 10 70 CDIERN Cc1cccc2[nH]c(CNC(=O)Cn3ccnc3)nc21 ZINC000160318061 363813908 /nfs/dbraw/zinc/81/39/08/363813908.db2.gz FGNDYWKZWJJYGW-UHFFFAOYSA-N 0 0 269.308 1.384 10 70 CDIERN Cc1cccc2[nH]c(CNC(=O)[C@@H]3CCNC(=O)C3)nc21 ZINC000160545938 363984175 /nfs/dbraw/zinc/98/41/75/363984175.db2.gz WJKJBTUXZIWTSB-SNVBAGLBSA-N 0 0 286.335 1.014 10 70 CDIERN C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)c1cnns1 ZINC000160601199 364079734 /nfs/dbraw/zinc/07/97/34/364079734.db2.gz MCUXZZFEQWRDIN-VIFPVBQESA-N 0 0 277.349 1.947 10 70 CDIERN CC(C)CC(=O)N1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000159449409 364208281 /nfs/dbraw/zinc/20/82/81/364208281.db2.gz NKCNHXCDNGHRSH-CHWSQXEVSA-N 0 0 281.352 1.977 10 70 CDIERN COc1nc(C)nc(N2CCC[C@@H](CNC(C)=O)C2)c1C ZINC000159362214 364191612 /nfs/dbraw/zinc/19/16/12/364191612.db2.gz VQKOZEIUHXBPOT-ZDUSSCGKSA-N 0 0 292.383 1.455 10 70 CDIERN CCCC(O)(CCC)CC(=O)NCc1ccnn1C ZINC000159566750 364235304 /nfs/dbraw/zinc/23/53/04/364235304.db2.gz LKDJGBUJDKSTQB-UHFFFAOYSA-N 0 0 267.373 1.758 10 70 CDIERN CS[C@H](C)CNC(=O)N[C@H]1CCCn2ncnc21 ZINC000159542896 364230634 /nfs/dbraw/zinc/23/06/34/364230634.db2.gz XMRUNOAGIBARJI-BDAKNGLRSA-N 0 0 269.374 1.164 10 70 CDIERN O=C([C@@H](O)c1ccccc1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000159971623 364289318 /nfs/dbraw/zinc/28/93/18/364289318.db2.gz DUZAGVFKAFZVOP-ZNMIVQPWSA-N 0 0 275.348 1.890 10 70 CDIERN Cc1c(NC(=O)C(=O)N[C@@H]2C[C@H]2C)cnn1-c1ccccc1 ZINC000160999095 364436232 /nfs/dbraw/zinc/43/62/32/364436232.db2.gz HCSXZKCBZFVBQJ-ZWNOBZJWSA-N 0 0 298.346 1.644 10 70 CDIERN CCCCN(C)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000161116617 364449979 /nfs/dbraw/zinc/44/99/79/364449979.db2.gz HTYZKKOBAMCAAZ-SNVBAGLBSA-N 0 0 251.334 1.034 10 70 CDIERN CCCc1ccc(C(=O)NCC[C@H](O)COC)cc1 ZINC000160908535 364425998 /nfs/dbraw/zinc/42/59/98/364425998.db2.gz TUAWNMZJRLQXPC-AWEZNQCLSA-N 0 0 265.353 1.766 10 70 CDIERN CC(C)CSCCCNC(=O)[C@@H]1CSC(=O)N1 ZINC000160687224 370786951 /nfs/dbraw/zinc/78/69/51/370786951.db2.gz AQNGDXFSCHCAMC-VIFPVBQESA-N 0 0 276.427 1.707 10 70 CDIERN CCc1nc(C2(NC(=O)[C@@H]3OCC[C@@H]3C)CCCC2)no1 ZINC000160946994 377138567 /nfs/dbraw/zinc/13/85/67/377138567.db2.gz RQVFGKUAQBBYDW-CMPLNLGQSA-N 0 0 293.367 1.943 10 70 CDIERN Cc1cccc(-n2cc(C(=O)NCc3ccnn3C)nn2)c1 ZINC000159919796 292773663 /nfs/dbraw/zinc/77/36/63/292773663.db2.gz LTKRMOHTPBLFLH-UHFFFAOYSA-N 0 0 296.334 1.239 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)N(C)[C@@H](C)CC ZINC000160228548 292781265 /nfs/dbraw/zinc/78/12/65/292781265.db2.gz YIXFRGBVAAWPMX-QMMMGPOBSA-N 0 0 267.329 1.741 10 70 CDIERN Cc1cnn(Cc2cc(C(=O)Nc3ccncc3)no2)c1 ZINC000160345935 292784261 /nfs/dbraw/zinc/78/42/61/292784261.db2.gz XNAYKGUGMONTOP-UHFFFAOYSA-N 0 0 283.291 1.875 10 70 CDIERN Cc1ncc(Cl)c(C(=O)NC[C@@H](C)CCO)n1 ZINC000160942124 292796882 /nfs/dbraw/zinc/79/68/82/292796882.db2.gz IPSPOLDOPGQBMX-ZETCQYMHSA-N 0 0 257.721 1.187 10 70 CDIERN O=C(N1CCO[C@@H]2CCCC[C@@H]21)C1(O)CCSCC1 ZINC000159971241 295575663 /nfs/dbraw/zinc/57/56/63/295575663.db2.gz BNPJWADTSQAANW-NWDGAFQWSA-N 0 0 285.409 1.415 10 70 CDIERN CCNC(=O)CCN1CCO[C@H](c2nccs2)C1 ZINC000161443723 521735862 /nfs/dbraw/zinc/73/58/62/521735862.db2.gz XJGMZRHQXAQVAW-JTQLQIEISA-N 0 0 269.370 1.043 10 70 CDIERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N[C@H]1C[C@@H]1C)CC2 ZINC000161442462 519872123 /nfs/dbraw/zinc/87/21/23/519872123.db2.gz HSZGHHZCTRXPJP-AXFHLTTASA-N 0 0 277.372 1.424 10 70 CDIERN Cc1conc1NC(=O)C(=O)N[C@H]1C[C@@H]1c1ccccc1 ZINC000160752177 534757340 /nfs/dbraw/zinc/75/73/40/534757340.db2.gz QFXUEZUCCGIUJR-NEPJUHHUSA-N 0 0 285.303 1.594 10 70 CDIERN CSCC[C@H](C)N(C)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000161191871 525560966 /nfs/dbraw/zinc/56/09/66/525560966.db2.gz YUQLDQWEFVAHGI-QWRGUYRKSA-N 0 0 297.428 1.376 10 70 CDIERN O=C([C@H]1CCCCO1)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000160975669 526536445 /nfs/dbraw/zinc/53/64/45/526536445.db2.gz PTBBRNIFRJHADO-CABCVRRESA-N 0 0 291.347 1.861 10 70 CDIERN CC[C@@H](NS(=O)(=O)N(CC)CC)c1nccs1 ZINC000159984741 535806744 /nfs/dbraw/zinc/80/67/44/535806744.db2.gz QZDQGVCPNCEDNR-SECBINFHSA-N 0 0 277.415 1.770 10 70 CDIERN C[C@@H](CO)[C@@H](C)NC(=O)c1ccc(C(F)(F)F)nc1 ZINC000160397584 361744046 /nfs/dbraw/zinc/74/40/46/361744046.db2.gz HKPPWFFKSNGJHS-JGVFFNPUSA-N 0 0 276.258 1.847 10 70 CDIERN CC(C)OC(=O)CCCNC(=O)N[C@H](C)[C@H](C)CO ZINC000159728797 361814955 /nfs/dbraw/zinc/81/49/55/361814955.db2.gz FJUIAVNCPCGCGK-GHMZBOCLSA-N 0 0 274.361 1.034 10 70 CDIERN CCOC(=O)C[C@@H](C)NC(=O)CCc1ccccc1O ZINC000160155486 362039077 /nfs/dbraw/zinc/03/90/77/362039077.db2.gz BZCVWYCIQKKSMT-LLVKDONJSA-N 0 0 279.336 1.783 10 70 CDIERN CCn1cc(C2CCN(Cc3nncn3C)CC2)cn1 ZINC000160899481 362202453 /nfs/dbraw/zinc/20/24/53/362202453.db2.gz DCTYTGBVXXAWLG-UHFFFAOYSA-N 0 0 274.372 1.411 10 70 CDIERN CNC(=O)[C@@H]1CCCN1C(=O)NCC1(C(C)C)CC1 ZINC000159647310 529902326 /nfs/dbraw/zinc/90/23/26/529902326.db2.gz XZPWRYSAHNONQY-NSHDSACASA-N 0 0 267.373 1.343 10 70 CDIERN C[C@@H](CO)[C@@H](C)NC(=O)CCc1nc2ccccc2[nH]1 ZINC000160346832 362415787 /nfs/dbraw/zinc/41/57/87/362415787.db2.gz JHZGXQNLWDVDIN-WDEREUQCSA-N 0 0 275.352 1.629 10 70 CDIERN COC(=O)c1csc(NC(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000161123341 362682631 /nfs/dbraw/zinc/68/26/31/362682631.db2.gz IEQKNBPKBYYCNY-JTQLQIEISA-N 0 0 297.380 1.703 10 70 CDIERN COC(=O)[C@@H](N[C@H]1CCC(=O)N(C)C1)c1ccc(F)cc1 ZINC000161200362 188514940 /nfs/dbraw/zinc/51/49/40/188514940.db2.gz NVFSBLVGODYUAH-JSGCOSHPSA-N 0 0 294.326 1.250 10 70 CDIERN Cc1cc(S(=O)(=O)N(C)[C@@H](C)CO)cc(C)c1F ZINC000161299241 188520784 /nfs/dbraw/zinc/52/07/84/188520784.db2.gz OVKIPDMSAYWIAV-JTQLQIEISA-N 0 0 275.345 1.444 10 70 CDIERN COc1cc(NC(=O)NC2(CO)CC2)cc(OC)c1 ZINC000159922276 363465938 /nfs/dbraw/zinc/46/59/38/363465938.db2.gz CAQQMKIEYVXUEE-UHFFFAOYSA-N 0 0 266.297 1.350 10 70 CDIERN C[C@H]1SCCN(C(=O)c2cnc3c(c2)ncn3C)[C@@H]1C ZINC000159866222 291258698 /nfs/dbraw/zinc/25/86/98/291258698.db2.gz HJOCBMOMRVJKFB-NXEZZACHSA-N 0 0 290.392 1.934 10 70 CDIERN CCc1cc(C)c(C(=O)N2CSC[C@H]2C(=O)N(C)C)o1 ZINC000160201999 363754929 /nfs/dbraw/zinc/75/49/29/363754929.db2.gz KGHLDLKCADGETD-NSHDSACASA-N 0 0 296.392 1.754 10 70 CDIERN O=C(Nc1cc(C2CCCCCC2)[nH]n1)[C@H]1COCCN1 ZINC000159477469 361711300 /nfs/dbraw/zinc/71/13/00/361711300.db2.gz KWDWBKACIUFQEY-CYBMUJFWSA-N 0 0 292.383 1.774 10 70 CDIERN Cc1cccc(S(=O)(=O)C[C@H](C)CS(C)(=O)=O)c1 ZINC000160364964 363827601 /nfs/dbraw/zinc/82/76/01/363827601.db2.gz SRJDCNPLFLEVQW-LLVKDONJSA-N 0 0 290.406 1.449 10 70 CDIERN O=C(Nc1cccc(C(=O)NC2CC2)c1)NC1(CO)CC1 ZINC000160445634 363868077 /nfs/dbraw/zinc/86/80/77/363868077.db2.gz XEXDKDNSLXQJKK-UHFFFAOYSA-N 0 0 289.335 1.225 10 70 CDIERN C[C@H](Cc1ccc(O)cc1)N(C)C(=O)[C@H]1CN(C)CCO1 ZINC000160510478 363963307 /nfs/dbraw/zinc/96/33/07/363963307.db2.gz XEDKSRHMMSGSNU-IUODEOHRSA-N 0 0 292.379 1.112 10 70 CDIERN CCOC(=O)CCN1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000159500412 364222133 /nfs/dbraw/zinc/22/21/33/364222133.db2.gz VZGNFAQEJUCCDE-OLZOCXBDSA-N 0 0 297.351 1.357 10 70 CDIERN O=C(C[C@@H]1COC(=O)C1)N1CCO[C@H](c2cccs2)C1 ZINC000159581303 364236531 /nfs/dbraw/zinc/23/65/31/364236531.db2.gz GDCLBGQZZSNHJP-QWRGUYRKSA-N 0 0 295.360 1.601 10 70 CDIERN CCc1c(C(=O)NCCc2ccco2)[nH]c(C)c1C(N)=O ZINC000159689837 364250618 /nfs/dbraw/zinc/25/06/18/364250618.db2.gz IHAMEHUPIHRXRP-UHFFFAOYSA-N 0 0 289.335 1.550 10 70 CDIERN CC1(C)CN(C(=O)COc2ccccc2)CCS1(=O)=O ZINC000160063892 364300441 /nfs/dbraw/zinc/30/04/41/364300441.db2.gz KRSLAJBGPPBGFT-UHFFFAOYSA-N 0 0 297.376 1.101 10 70 CDIERN CS[C@H](C)CNC(=O)N[C@H](C)Cc1cc(C)n[nH]1 ZINC000160755895 364406008 /nfs/dbraw/zinc/40/60/08/364406008.db2.gz VLAIVZCARNDBAW-PSASIEDQSA-N 0 0 270.402 1.700 10 70 CDIERN COC(=O)C[C@H](NC(=O)[C@H]1CCCCO1)c1ccccc1 ZINC000160496411 364363415 /nfs/dbraw/zinc/36/34/15/364363415.db2.gz CKGZJGCANKSBRP-UONOGXRCSA-N 0 0 291.347 1.976 10 70 CDIERN CC(C)C[C@@H](CO)NC(=O)c1ccc(-c2ncon2)cc1 ZINC000160730048 364401672 /nfs/dbraw/zinc/40/16/72/364401672.db2.gz VEVVUPSXQJGBKG-ZDUSSCGKSA-N 0 0 289.335 1.873 10 70 CDIERN CCc1ncc(NC(=O)N[C@@H]2CCCn3ncnc32)cn1 ZINC000161144769 364454771 /nfs/dbraw/zinc/45/47/71/364454771.db2.gz VRSVWFRDCQJUFF-SNVBAGLBSA-N 0 0 287.327 1.287 10 70 CDIERN CC(C)[N@H+]1C[C@H](NC(=O)c2cccc(C(N)=O)c2)[C@@H](C)C1 ZINC000161207914 364463640 /nfs/dbraw/zinc/46/36/40/364463640.db2.gz BKFGEXXXQJVNTC-FZMZJTMJSA-N 0 0 289.379 1.244 10 70 CDIERN Cc1noc(CCNc2ccc(C(F)(F)F)nn2)n1 ZINC000217998095 367259497 /nfs/dbraw/zinc/25/94/97/367259497.db2.gz FCKVOWYFYVPCFS-UHFFFAOYSA-N 0 0 273.218 1.841 10 70 CDIERN CCC[C@@H](NC(=O)c1ccon1)C(=O)OC(C)(C)C ZINC000161391657 373516825 /nfs/dbraw/zinc/51/68/25/373516825.db2.gz UFACGQVGROOEMM-SNVBAGLBSA-N 0 0 268.313 1.915 10 70 CDIERN C[C@H](NC(=O)[C@@H](C)C1CCOCC1)C(=O)OC(C)(C)C ZINC000160704391 377095975 /nfs/dbraw/zinc/09/59/75/377095975.db2.gz MCTQSVUOBMLFPS-QWRGUYRKSA-N 0 0 285.384 1.896 10 70 CDIERN CC(C)[C@@](C)(O)CN1CCn2c(nnc2C(F)(F)F)C1 ZINC000160204210 280117393 /nfs/dbraw/zinc/11/73/93/280117393.db2.gz JZZHPGJQSIDBJP-NSHDSACASA-N 0 0 292.305 1.520 10 70 CDIERN Cc1ncc(CNC(=O)CCc2cnn(C)c2C)s1 ZINC000159594886 292762932 /nfs/dbraw/zinc/76/29/32/292762932.db2.gz MBCNOFPBQJMQHP-UHFFFAOYSA-N 0 0 278.381 1.742 10 70 CDIERN CC[C@@H](C(=O)NCCC(=O)N(C)C)c1c(C)noc1C ZINC000160401530 292786283 /nfs/dbraw/zinc/78/62/83/292786283.db2.gz IJDGIBZEDFMILG-LLVKDONJSA-N 0 0 281.356 1.380 10 70 CDIERN C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)CN1CCCC1=O ZINC000160584172 292790967 /nfs/dbraw/zinc/79/09/67/292790967.db2.gz HJUHECGQLGCHAS-LBPRGKRZSA-N 0 0 290.363 1.404 10 70 CDIERN C[C@H](CCO)NC(=O)NC[C@H]1C[C@@H]1c1ccccc1 ZINC000159658384 482739693 /nfs/dbraw/zinc/73/96/93/482739693.db2.gz YYRUYZFRCPUAAA-MRVWCRGKSA-N 0 0 262.353 1.860 10 70 CDIERN CC(C)C(=O)N1CCC[C@H]1C(=O)N(C)Cc1cccn1C ZINC000160793860 519466954 /nfs/dbraw/zinc/46/69/54/519466954.db2.gz UXOFNNVGJGMPDB-AWEZNQCLSA-N 0 0 291.395 1.631 10 70 CDIERN CCN(C(=O)N[C@@H]1CCc2ncnn2C1)C1CCCCC1 ZINC000161053391 519981721 /nfs/dbraw/zinc/98/17/21/519981721.db2.gz XCNRESOWRGWNFK-GFCCVEGCSA-N 0 0 291.399 1.957 10 70 CDIERN Cn1c(CN2CCCC[C@@H]2CO)nnc1C1CC1 ZINC000159843708 534686370 /nfs/dbraw/zinc/68/63/70/534686370.db2.gz CIIATHLGPTUGPH-LLVKDONJSA-N 0 0 250.346 1.039 10 70 CDIERN CCc1c(C(=O)N2CCO[C@@H](CC)C2)[nH]c(C)c1C(N)=O ZINC000160822320 536036307 /nfs/dbraw/zinc/03/63/07/536036307.db2.gz WMTYSBKOSFFSKA-JTQLQIEISA-N 0 0 293.367 1.235 10 70 CDIERN COC(=O)[C@H]1CCCN(C(=O)Nc2cnn(C(C)C)c2)C1 ZINC000161503746 342483677 /nfs/dbraw/zinc/48/36/77/342483677.db2.gz BFYLQYUNNUZQJJ-NSHDSACASA-N 0 0 294.355 1.881 10 70 CDIERN O[C@H](C[NH2+]Cc1cccc2cccnc21)Cn1cccn1 ZINC000159429167 342072787 /nfs/dbraw/zinc/07/27/87/342072787.db2.gz ZJUUEQLKPWIIHX-OAHLLOKOSA-N 0 0 282.347 1.582 10 70 CDIERN CCCC1(CNC(=O)[C@H]2CSCN2C(=O)CC)CC1 ZINC000160780215 362168416 /nfs/dbraw/zinc/16/84/16/362168416.db2.gz NZGJVGXWBSTECR-LLVKDONJSA-N 0 0 284.425 1.994 10 70 CDIERN Cc1nnc(NC(=O)[C@@H](C)Oc2cccc(CO)c2)s1 ZINC000159614426 363063469 /nfs/dbraw/zinc/06/34/69/363063469.db2.gz HEVJVZDOKZFOGA-MRVPVSSYSA-N 0 0 293.348 1.745 10 70 CDIERN CC[C@@H](C(N)=O)N1CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC000159488356 358643024 /nfs/dbraw/zinc/64/30/24/358643024.db2.gz SWYJASVVZZBJBH-WFASDCNBSA-N 0 0 293.386 1.768 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)N1CCC(C)CC1 ZINC000160147003 363683685 /nfs/dbraw/zinc/68/36/85/363683685.db2.gz AVWSBOQQUBVKKE-UHFFFAOYSA-N 0 0 279.340 1.742 10 70 CDIERN COc1cc(CCC(=O)NC2(CO)CC2)cc(OC)c1 ZINC000160250769 363795624 /nfs/dbraw/zinc/79/56/24/363795624.db2.gz JDEPGCICGMXRDD-UHFFFAOYSA-N 0 0 279.336 1.278 10 70 CDIERN O=C(NC1(CO)CC1)c1cnn(-c2cccc(Cl)c2)c1 ZINC000160297678 363804479 /nfs/dbraw/zinc/80/44/79/363804479.db2.gz QEEZHIHCKDTVKC-UHFFFAOYSA-N 0 0 291.738 1.780 10 70 CDIERN CCC(=O)c1ccc(OCC(=O)NC2(CO)CC2)cc1 ZINC000160524289 363970694 /nfs/dbraw/zinc/97/06/94/363970694.db2.gz XIKVRCSCEWFGTH-UHFFFAOYSA-N 0 0 277.320 1.299 10 70 CDIERN O=C(Nc1cn[nH]c1)[C@@H]1CCC[C@@H]1C(=O)Nc1cn[nH]c1 ZINC000159830744 364271955 /nfs/dbraw/zinc/27/19/55/364271955.db2.gz NYHGPXSNZXVKQV-PHIMTYICSA-N 0 0 288.311 1.126 10 70 CDIERN CC1(C)CN(C(=O)c2ccccc2)CCS1(=O)=O ZINC000160063603 364299887 /nfs/dbraw/zinc/29/98/87/364299887.db2.gz GAXSHCCCAYBEFX-UHFFFAOYSA-N 0 0 267.350 1.336 10 70 CDIERN CCc1ccc(CC(=O)N2C[C@H](C(N)=O)CC[C@H]2C)cc1 ZINC000160944044 377138361 /nfs/dbraw/zinc/13/83/61/377138361.db2.gz ULJYKILLARSUFH-IUODEOHRSA-N 0 0 288.391 1.904 10 70 CDIERN CC(C)n1ccnc1CS(=O)(=O)C[C@H]1CCCO1 ZINC000161216736 377198844 /nfs/dbraw/zinc/19/88/44/377198844.db2.gz JSVZCDGCFDYGBA-LLVKDONJSA-N 0 0 272.370 1.558 10 70 CDIERN CCN(C[C@@H]1CCCO1)C(=O)c1cnc2c(c1)ncn2C ZINC000160210611 378459865 /nfs/dbraw/zinc/45/98/65/378459865.db2.gz QZCRXFHQYJLWES-LBPRGKRZSA-N 0 0 288.351 1.609 10 70 CDIERN OC[C@@H]1CN(c2ccnc3c(F)cc(F)cc23)CCO1 ZINC000159871448 139906512 /nfs/dbraw/zinc/90/65/12/139906512.db2.gz OHGJMAJWCYXFLL-JTQLQIEISA-N 0 0 280.274 1.711 10 70 CDIERN CC(C)(C)c1nsc(N[C@H]2CCC[C@H]2C(N)=O)n1 ZINC000159918387 278577612 /nfs/dbraw/zinc/57/76/12/278577612.db2.gz VXWJMDVTZUDJSD-SFYZADRCSA-N 0 0 268.386 1.902 10 70 CDIERN CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H]1C(=O)N1CCC1 ZINC000217759035 280089328 /nfs/dbraw/zinc/08/93/28/280089328.db2.gz FJJMLHQLDOYDSK-VHSXEESVSA-N 0 0 272.320 1.566 10 70 CDIERN O=C(Nc1cn[nH]c1)c1cc(N2CCCC2=O)ccc1F ZINC000160395542 292786350 /nfs/dbraw/zinc/78/63/50/292786350.db2.gz MDUSWIRCVMEBQA-UHFFFAOYSA-N 0 0 288.282 1.928 10 70 CDIERN C[C@@H](C(=O)NC1(CO)CC1)c1c(F)cccc1F ZINC000160502600 292788351 /nfs/dbraw/zinc/78/83/51/292788351.db2.gz QGSOYBFYNHHMLX-MRVPVSSYSA-N 0 0 255.264 1.709 10 70 CDIERN C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)NC1CC1 ZINC000160578811 292790749 /nfs/dbraw/zinc/79/07/49/292790749.db2.gz IFEWPNUKYNEMLA-JTQLQIEISA-N 0 0 286.335 1.247 10 70 CDIERN CC(C)CCn1ccc(NC(=O)NCc2ccnn2C)n1 ZINC000160733164 519703391 /nfs/dbraw/zinc/70/33/91/519703391.db2.gz VJBYAZXKMFMELU-UHFFFAOYSA-N 0 0 290.371 1.984 10 70 CDIERN CCC[C@@H](NC(=O)c1cn(C)nc1C)C(=O)OC(C)(C)C ZINC000161409547 520757059 /nfs/dbraw/zinc/75/70/59/520757059.db2.gz JCWSIVRYYXACJM-GFCCVEGCSA-N 0 0 295.383 1.969 10 70 CDIERN CCN(CCCO)C(=O)[C@H](C)Oc1ccc(OC)cc1 ZINC000160548163 521032868 /nfs/dbraw/zinc/03/28/68/521032868.db2.gz KSDMYLUXLHPVTC-LBPRGKRZSA-N 0 0 281.352 1.693 10 70 CDIERN CC[C@H](O)CCNC(=O)N[C@H](C)c1ccc2c(c1)OCO2 ZINC000160866546 522796952 /nfs/dbraw/zinc/79/69/52/522796952.db2.gz QNENEHUUWPGGRL-PWSUYJOCSA-N 0 0 294.351 1.937 10 70 CDIERN Cc1conc1NC(=O)C(=O)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000160752039 534758149 /nfs/dbraw/zinc/75/81/49/534758149.db2.gz QFXUEZUCCGIUJR-VXGBXAGGSA-N 0 0 285.303 1.594 10 70 CDIERN C[C@H](N[C@@H]1CCOC1=O)c1ccccc1-n1cccn1 ZINC000160818771 525569785 /nfs/dbraw/zinc/56/97/85/525569785.db2.gz ITOHDFOLOMOFNN-WCQYABFASA-N 0 0 271.320 1.838 10 70 CDIERN Cc1conc1NC(=O)C(=O)NC[C@@H]1C[C@@H]1c1ccccc1 ZINC000161149890 526296047 /nfs/dbraw/zinc/29/60/47/526296047.db2.gz SFBMRHFLTNDXPC-QWHCGFSZSA-N 0 0 299.330 1.841 10 70 CDIERN CC1(C)Cc2ccc(C(=O)N3CC[C@@H](O)C3)c(O)c2O1 ZINC000159518226 527775148 /nfs/dbraw/zinc/77/51/48/527775148.db2.gz CQKCTOQKRSUMNX-SNVBAGLBSA-N 0 0 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CDIERN CC[C@H](C)OCC(=O)NC[C@H]1CCO[C@@H]1C(C)C ZINC000161374379 362950457 /nfs/dbraw/zinc/95/04/57/362950457.db2.gz PORKUVGKCWZSDS-OUCADQQQSA-N 0 0 257.374 1.979 10 70 CDIERN COc1cc(C(=O)NCc2nccn2CC(C)C)on1 ZINC000159404896 358484138 /nfs/dbraw/zinc/48/41/38/358484138.db2.gz ZVPDCFFPUUAXKM-UHFFFAOYSA-N 0 0 278.312 1.466 10 70 CDIERN CCC[C@H](C(=O)NCC[NH+]1CCCCCC1)[NH+](C)C ZINC000159870064 363387664 /nfs/dbraw/zinc/38/76/64/363387664.db2.gz UQJJXHRKGGHQNU-CQSZACIVSA-N 0 0 269.433 1.709 10 70 CDIERN O=C(CCC1CCC1)N1CCC(OCCCO)CC1 ZINC000160321797 538848624 /nfs/dbraw/zinc/84/86/24/538848624.db2.gz WXLRWSLFGGRCJP-UHFFFAOYSA-N 0 0 269.385 1.957 10 70 CDIERN C[C@H]1Cc2ccccc2N1C(=O)N[C@H]1CCc2ncnn2C1 ZINC000161115519 291169082 /nfs/dbraw/zinc/16/90/82/291169082.db2.gz ISXMCUITBPWIHV-AAEUAGOBSA-N 0 0 297.362 1.754 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)N(C)CC1CC1 ZINC000160136050 363683833 /nfs/dbraw/zinc/68/38/33/363683833.db2.gz JZIAYQJMHORTSN-UHFFFAOYSA-N 0 0 265.313 1.352 10 70 CDIERN CC(=O)N1CCC[C@H]1C(=O)Nc1cc(C2CC2)nc(C)n1 ZINC000160153382 363689816 /nfs/dbraw/zinc/68/98/16/363689816.db2.gz ICIIJLGJAKTJKC-ZDUSSCGKSA-N 0 0 288.351 1.612 10 70 CDIERN COCCCOc1ccc(C(=O)NC2(CO)CC2)cc1 ZINC000160176321 363707195 /nfs/dbraw/zinc/70/71/95/363707195.db2.gz FNONOXIUHXVYOZ-UHFFFAOYSA-N 0 0 279.336 1.357 10 70 CDIERN CCOc1cccc2c1OCC(C(=O)NC1(CO)CC1)=C2 ZINC000160244881 363793098 /nfs/dbraw/zinc/79/30/98/363793098.db2.gz VWBDEDMQZAUMAC-UHFFFAOYSA-N 0 0 289.331 1.502 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)NC[C@@H](O)[C@H](C)CC ZINC000160596074 364076294 /nfs/dbraw/zinc/07/62/94/364076294.db2.gz GKBMCIIFSWXHCT-LDYMZIIASA-N 0 0 297.355 1.007 10 70 CDIERN COC[C@@H](C)C(=O)Nc1cccn(CC(F)(F)F)c1=O ZINC000159442696 364206286 /nfs/dbraw/zinc/20/62/86/364206286.db2.gz ZFPAXAHOLFZFCF-MRVPVSSYSA-N 0 0 292.257 1.632 10 70 CDIERN Cc1ccc(F)c(C(=O)NC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000160213245 364319467 /nfs/dbraw/zinc/31/94/67/364319467.db2.gz MUQCXWUDJCFZLY-ZDUSSCGKSA-N 0 0 294.370 1.711 10 70 CDIERN Cc1cc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)sc1C ZINC000160252722 364326014 /nfs/dbraw/zinc/32/60/14/364326014.db2.gz KRKAQQUVVIVQDL-ZDUSSCGKSA-N 0 0 296.436 1.942 10 70 CDIERN CC(C)[C@@H](O)CC(=O)N(C)c1ccc2c(c1)OCO2 ZINC000160632157 364387374 /nfs/dbraw/zinc/38/73/74/364387374.db2.gz IJPMSOJNILBACM-NSHDSACASA-N 0 0 265.309 1.785 10 70 CDIERN COC[C@H](C)C(=O)N[C@H]1CCN(c2ccccc2OC)C1 ZINC000161026027 364439993 /nfs/dbraw/zinc/43/99/93/364439993.db2.gz IWWVNJFBTIJOMH-STQMWFEESA-N 0 0 292.379 1.673 10 70 CDIERN CC(C)C[C@@H](CO)NC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000161075058 364442951 /nfs/dbraw/zinc/44/29/51/364442951.db2.gz FZOQIQLDUPADSW-WDEREUQCSA-N 0 0 265.357 1.353 10 70 CDIERN Cc1cc(C[C@@H](C)NC(=O)CCOC(C)C)[nH]n1 ZINC000161260004 364470506 /nfs/dbraw/zinc/47/05/06/364470506.db2.gz FRKUIKGINBYDJE-SNVBAGLBSA-N 0 0 253.346 1.580 10 70 CDIERN COC(=O)CCCCNC(=O)c1cnn(CC(C)C)c1C ZINC000161363841 364484109 /nfs/dbraw/zinc/48/41/09/364484109.db2.gz YAIUSWMGQRLZEX-UHFFFAOYSA-N 0 0 295.383 1.921 10 70 CDIERN CCOC(=O)C[C@H](C)NC(=O)c1cnn2ccc(C)nc12 ZINC000160284215 364544567 /nfs/dbraw/zinc/54/45/67/364544567.db2.gz YHAAUFRWEMTPQW-JTQLQIEISA-N 0 0 290.323 1.109 10 70 CDIERN CCOC(=O)C[C@@H](C)NC(=O)c1cnn2ccc(C)nc12 ZINC000160284081 364545150 /nfs/dbraw/zinc/54/51/50/364545150.db2.gz YHAAUFRWEMTPQW-SNVBAGLBSA-N 0 0 290.323 1.109 10 70 CDIERN C[C@@H]1CCN(C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)C[C@@H]1O ZINC000160482285 369919288 /nfs/dbraw/zinc/91/92/88/369919288.db2.gz MGOSPWCCLMWFQE-ZZVYKPCYSA-N 0 0 282.384 1.356 10 70 CDIERN C[C@@H](O)C[C@@H]1CCCN1C(=O)c1cnc2c(c1)ncn2C ZINC000160970361 377138450 /nfs/dbraw/zinc/13/84/50/377138450.db2.gz ZOMCWWLGBJGGDK-PWSUYJOCSA-N 0 0 288.351 1.344 10 70 CDIERN COc1ccc(C(=O)N2CCCC[C@@H]2c2cn[nH]c2)nn1 ZINC000160286450 286273648 /nfs/dbraw/zinc/27/36/48/286273648.db2.gz VKOUQPPFDCTGQP-GFCCVEGCSA-N 0 0 287.323 1.576 10 70 CDIERN Cc1cc(OCC(=O)NCCc2ccc(F)cc2)nn1C ZINC000159795224 292769502 /nfs/dbraw/zinc/76/95/02/292769502.db2.gz 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C[C@@H]1C(=O)NCCN1c1ccnc2c(F)cc(F)cc12 ZINC000159844475 287186854 /nfs/dbraw/zinc/18/68/54/287186854.db2.gz JCAIZNRKHKKTQB-MRVPVSSYSA-N 0 0 277.274 1.838 10 70 CDIERN CC(C)C[C@H]1CCCN(C(=O)[C@@H]2COCCN2)C1 ZINC000161471934 275917529 /nfs/dbraw/zinc/91/75/29/275917529.db2.gz KXLGWTAZJZHCLE-OLZOCXBDSA-N 0 0 254.374 1.260 10 70 CDIERN C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)N1S(=O)(=O)N(C)C ZINC000159449995 288391100 /nfs/dbraw/zinc/39/11/00/288391100.db2.gz YSXHHHXGNMBPFC-MBNYWOFBSA-N 0 0 298.408 1.643 10 70 CDIERN Cc1noc(Cl)c1CC(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000160122534 292777819 /nfs/dbraw/zinc/77/78/19/292777819.db2.gz WPTFHWXAFYQUMU-SCZZXKLOSA-N 0 0 272.732 1.863 10 70 CDIERN C[C@H](Cc1cccc(F)c1)C(=O)NC1(CO)CC1 ZINC000160207669 292780012 /nfs/dbraw/zinc/78/00/12/292780012.db2.gz UGDSXAXHHFYLTI-SNVBAGLBSA-N 0 0 251.301 1.645 10 70 CDIERN Cn1cc(CC(=O)NC2(CO)CC2)c2ccccc21 ZINC000160236554 292781230 /nfs/dbraw/zinc/78/12/30/292781230.db2.gz XDLPRHYPFPXWSS-UHFFFAOYSA-N 0 0 258.321 1.362 10 70 CDIERN CCOC(=O)CCCNC(=O)N(C[C@@H](C)O)C(C)C ZINC000160533719 292789130 /nfs/dbraw/zinc/78/91/30/292789130.db2.gz XYUKUYUZBSNTAB-LLVKDONJSA-N 0 0 274.361 1.131 10 70 CDIERN O=C(NC[C@H]1C[C@@H]1c1ccccc1)[C@@H]1CSCN1 ZINC000159786788 482750670 /nfs/dbraw/zinc/75/06/70/482750670.db2.gz FAYBQSHRSZOZQY-UPJWGTAASA-N 0 0 262.378 1.569 10 70 CDIERN CCCCCNC(=O)N1CCCC[C@H]1[C@H]1CNC(=O)C1 ZINC000160677339 520201435 /nfs/dbraw/zinc/20/14/35/520201435.db2.gz UUBHVLHIUGCSEM-OLZOCXBDSA-N 0 0 281.400 1.877 10 70 CDIERN Cc1c(CNC(=O)N[C@@H]2COc3ccccc32)cnn1C ZINC000160776300 525715631 /nfs/dbraw/zinc/71/56/31/525715631.db2.gz GZPZWKIZDWGEDE-CYBMUJFWSA-N 0 0 286.335 1.661 10 70 CDIERN Cc1c(CNC(=O)N[C@H]2COc3ccccc32)cnn1C ZINC000160776420 525717694 /nfs/dbraw/zinc/71/76/94/525717694.db2.gz GZPZWKIZDWGEDE-ZDUSSCGKSA-N 0 0 286.335 1.661 10 70 CDIERN Cc1nc(CC(=O)N(C)CC(=O)NC(C)(C)C)c(C)s1 ZINC000159384729 526786206 /nfs/dbraw/zinc/78/62/06/526786206.db2.gz VHCLFIVAINTBRF-UHFFFAOYSA-N 0 0 297.424 1.676 10 70 CDIERN Cc1ccc(C(=O)NCC(=O)N(C)CC[C@@H](C)O)cc1C ZINC000159920425 361939325 /nfs/dbraw/zinc/93/93/25/361939325.db2.gz MLDDTXXYRSSMFY-CYBMUJFWSA-N 0 0 292.379 1.263 10 70 CDIERN CCc1ncsc1C(=O)NC[C@@H]1CN(C2CC2)CCO1 ZINC000160156536 362041085 /nfs/dbraw/zinc/04/10/85/362041085.db2.gz QYPHRXUWEMABPY-LLVKDONJSA-N 0 0 295.408 1.299 10 70 CDIERN CCc1ccc(CC(=O)NC[C@H](C)N2CCOCC2)cc1 ZINC000160204472 362054214 /nfs/dbraw/zinc/05/42/14/362054214.db2.gz INTKXYVMJGLVPY-AWEZNQCLSA-N 0 0 290.407 1.628 10 70 CDIERN O=C(Nc1cccc(N2CCCC2=O)c1)NC1(CO)CC1 ZINC000160427564 342374064 /nfs/dbraw/zinc/37/40/64/342374064.db2.gz ZXPCSMAOMVJWOE-UHFFFAOYSA-N 0 0 289.335 1.460 10 70 CDIERN COCCNC(=O)CNC(=O)C[C@@H]1CCCC(C)(C)C1 ZINC000160860545 362188777 /nfs/dbraw/zinc/18/87/77/362188777.db2.gz AIRAQAIEXDRPJV-LBPRGKRZSA-N 0 0 284.400 1.472 10 70 CDIERN Cc1nc(NC(=O)Cc2ccon2)cc(C2CC2)n1 ZINC000160266550 538847900 /nfs/dbraw/zinc/84/79/00/538847900.db2.gz DXLRTSGCXDRHCK-UHFFFAOYSA-N 0 0 258.281 1.832 10 70 CDIERN COc1ccccc1[C@H](C)CC(=O)NC1(CO)CC1 ZINC000160243892 363792455 /nfs/dbraw/zinc/79/24/55/363792455.db2.gz FDFDDVQHSHVFNB-LLVKDONJSA-N 0 0 263.337 1.830 10 70 CDIERN COc1ccccc1N1CC[C@@H](NC(=O)c2cocn2)C1 ZINC000161194839 364462809 /nfs/dbraw/zinc/46/28/09/364462809.db2.gz HLWSOXYLBLJMJW-LLVKDONJSA-N 0 0 287.319 1.692 10 70 CDIERN CCC[C@H](C(=O)Nc1cccc(NC(N)=O)c1)[NH+](C)C ZINC000161391181 364487446 /nfs/dbraw/zinc/48/74/46/364487446.db2.gz FHOZNDATSBWBQE-GFCCVEGCSA-N 0 0 278.356 1.846 10 70 CDIERN CCC[C@H](C(=O)Nc1ccc(OCC(N)=O)cc1)[NH+](C)C ZINC000161458768 364496306 /nfs/dbraw/zinc/49/63/06/364496306.db2.gz DZFQXLKTJUTQFZ-CYBMUJFWSA-N 0 0 293.367 1.220 10 70 CDIERN O=C(N[C@@H]1CCc2ncnn2C1)N1CCc2ccccc2C1 ZINC000161186260 364461398 /nfs/dbraw/zinc/46/13/98/364461398.db2.gz AFLHOSNKQHQOLP-CQSZACIVSA-N 0 0 297.362 1.361 10 70 CDIERN CC(C)OC(=O)CCCNc1nn2c(nccc2=O)s1 ZINC000160266270 377041718 /nfs/dbraw/zinc/04/17/18/377041718.db2.gz XHNHFUGOBVPESA-UHFFFAOYSA-N 0 0 296.352 1.295 10 70 CDIERN C[C@@H]1CC[C@@H](C(=O)NCc2ccc(O)c(F)c2)O1 ZINC000159802241 292770184 /nfs/dbraw/zinc/77/01/84/292770184.db2.gz YSOAAGBJRXMPAB-PELKAZGASA-N 0 0 253.273 1.715 10 70 CDIERN C[C@H](Oc1cccc(CO)c1)C(=O)N1CCOC(C)(C)C1 ZINC000159989277 292775128 /nfs/dbraw/zinc/77/51/28/292775128.db2.gz CIUWQIAKWBIGBO-LBPRGKRZSA-N 0 0 293.363 1.584 10 70 CDIERN CC(C)N(C[C@H](C)O)C(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000160476140 292787694 /nfs/dbraw/zinc/78/76/94/292787694.db2.gz PXMFKCIXVKTSKF-JSGCOSHPSA-N 0 0 292.379 1.791 10 70 CDIERN Cc1cc(NC(=O)c2cc(S(C)(=O)=O)cs2)n(C)n1 ZINC000161046584 292799208 /nfs/dbraw/zinc/79/92/08/292799208.db2.gz DLBNABDMWOKQBY-UHFFFAOYSA-N 0 0 299.377 1.446 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)N1CCC(C)(C)C1 ZINC000160845054 292795583 /nfs/dbraw/zinc/79/55/83/292795583.db2.gz PWDQTUZXVAHCPK-UHFFFAOYSA-N 0 0 279.340 1.742 10 70 CDIERN CC[C@H]1CCCCCN1C(=O)NCCNC(C)=O ZINC000160911488 522991638 /nfs/dbraw/zinc/99/16/38/522991638.db2.gz DRHJRVQDLNVATK-LBPRGKRZSA-N 0 0 255.362 1.487 10 70 CDIERN COC(=O)[C@@H]1CCCN(C(=O)NCCCCSC)C1 ZINC000160386522 523681148 /nfs/dbraw/zinc/68/11/48/523681148.db2.gz VORMETWGOZUGLZ-LLVKDONJSA-N 0 0 288.413 1.724 10 70 CDIERN COC(=O)[C@H]1CCCN(C(=O)NCCCCSC)C1 ZINC000160386623 523949552 /nfs/dbraw/zinc/94/95/52/523949552.db2.gz VORMETWGOZUGLZ-NSHDSACASA-N 0 0 288.413 1.724 10 70 CDIERN COC(=O)[C@H]1CN(C(=O)C2CCC(C)(C)CC2)C[C@@H](C)O1 ZINC000161211345 523968572 /nfs/dbraw/zinc/96/85/72/523968572.db2.gz PGQUAZBQVJJCHA-DGCLKSJQSA-N 0 0 297.395 1.992 10 70 CDIERN Cc1conc1NC(=O)C(=O)NC[C@@](C)(O)CCC(C)C ZINC000161361310 534755900 /nfs/dbraw/zinc/75/59/00/534755900.db2.gz BYOHCXYHNAIKOB-AWEZNQCLSA-N 0 0 297.355 1.225 10 70 CDIERN CCC1(CNC(=O)N2CCC[C@@H]2C(=O)NC)CCCC1 ZINC000159905610 527713918 /nfs/dbraw/zinc/71/39/18/527713918.db2.gz MQZCHNVSKJXCSO-GFCCVEGCSA-N 0 0 281.400 1.877 10 70 CDIERN CC[C@@H](CCO)NC(=O)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000160111451 535743325 /nfs/dbraw/zinc/74/33/25/535743325.db2.gz YCCJFQIYUTZPHO-WCQYABFASA-N 0 0 283.755 1.921 10 70 CDIERN O=C(NCc1ccccc1OC1CCC1)[C@@H]1COCCN1 ZINC000159708429 361805336 /nfs/dbraw/zinc/80/53/36/361805336.db2.gz PCLWPLFUTIWDRT-AWEZNQCLSA-N 0 0 290.363 1.223 10 70 CDIERN CCCCOC(=O)[C@H](C)N1c2ccccc2C[C@H]1C(N)=O ZINC000159848149 361878826 /nfs/dbraw/zinc/87/88/26/361878826.db2.gz SOYSUCIQAVSURC-FZMZJTMJSA-N 0 0 290.363 1.635 10 70 CDIERN CC(C)C(=O)N1CCC[C@@H]1C(=O)NC1CC=CC1 ZINC000160938786 539117043 /nfs/dbraw/zinc/11/70/43/539117043.db2.gz JGXRMENDLFUHBM-GFCCVEGCSA-N 0 0 250.342 1.468 10 70 CDIERN CC(C)OC(=O)CCCNC(=O)N(C[C@H](C)O)C(C)C ZINC000160220762 362065572 /nfs/dbraw/zinc/06/55/72/362065572.db2.gz RCIRPGODGFFXMT-LBPRGKRZSA-N 0 0 288.388 1.519 10 70 CDIERN CCN(C)C(=O)NCc1cn(C)nc1C(F)(F)F ZINC000160840125 362183606 /nfs/dbraw/zinc/18/36/06/362183606.db2.gz KPJXXOBDSUVTAV-UHFFFAOYSA-N 0 0 264.251 1.600 10 70 CDIERN CCCN(CC)C(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000160103180 362394320 /nfs/dbraw/zinc/39/43/20/362394320.db2.gz JXWYRGAQHIDFJM-TYNCELHUSA-N 0 0 268.401 1.777 10 70 CDIERN O=C(CCn1ccnc1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000160372727 362419014 /nfs/dbraw/zinc/41/90/14/362419014.db2.gz BOCRLBXWXHKQOI-ZFWWWQNUSA-N 0 0 277.368 1.427 10 70 CDIERN O=C(N[C@@H]1CCC[C@H]1O)c1cc2c(s1)CCC2 ZINC000161154899 362436608 /nfs/dbraw/zinc/43/66/08/362436608.db2.gz IZFOJBCKRVFBHH-NXEZZACHSA-N 0 0 251.351 1.880 10 70 CDIERN C[C@@H](CSCCOCC1CC1)CS(C)(=O)=O ZINC000159810398 363331871 /nfs/dbraw/zinc/33/18/71/363331871.db2.gz TYXZIMHVSBCKAK-JTQLQIEISA-N 0 0 266.428 1.827 10 70 CDIERN COc1cccc(C(=O)NCC2(CCO)CCC2)c1O ZINC000160133646 237167519 /nfs/dbraw/zinc/16/75/19/237167519.db2.gz YCCSIINWOYWPOQ-UHFFFAOYSA-N 0 0 279.336 1.683 10 70 CDIERN COc1cccc(CO[C@@H](C)C(=O)NC2(CO)CC2)c1 ZINC000160220889 363774409 /nfs/dbraw/zinc/77/44/09/363774409.db2.gz RPRVXYNSVQDSJY-NSHDSACASA-N 0 0 279.336 1.241 10 70 CDIERN CNc1ncc(C(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)s1 ZINC000159388441 361680615 /nfs/dbraw/zinc/68/06/15/361680615.db2.gz RLRYUDZZPAVXAH-NXEZZACHSA-N 0 0 281.381 1.872 10 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/nfs/dbraw/zinc/54/57/66/362545766.db2.gz IVDCXESVGCBBII-QFYYESIMSA-N 0 0 274.407 1.783 10 70 CDIERN CCc1noc(CSC[C@@H](C)CS(C)(=O)=O)n1 ZINC000159713931 345261179 /nfs/dbraw/zinc/26/11/79/345261179.db2.gz TYSIMNGTKZJVHP-MRVPVSSYSA-N 0 0 278.399 1.546 10 70 CDIERN COc1cccc(Cl)c1CC(=O)NC(C)(C)C(N)=O ZINC000159962803 188449102 /nfs/dbraw/zinc/44/91/02/188449102.db2.gz WSEXRUZKTDYGRV-UHFFFAOYSA-N 0 0 284.743 1.271 10 70 CDIERN COc1ccc(C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)cn1 ZINC000160348066 188467381 /nfs/dbraw/zinc/46/73/81/188467381.db2.gz MSVXJXYOEDLVFL-CZUORRHYSA-N 0 0 290.363 1.857 10 70 CDIERN C[C@@H](CO)N(C)C(=O)Nc1cccc(-c2ncn(C)n2)c1 ZINC000161465551 188528898 /nfs/dbraw/zinc/52/88/98/188528898.db2.gz SDNPARYHVIEEMG-JTQLQIEISA-N 0 0 289.339 1.327 10 70 CDIERN CNC(=O)[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000159819794 363345692 /nfs/dbraw/zinc/34/56/92/363345692.db2.gz IGUOSVXVNNRUQK-UWVGGRQHSA-N 0 0 256.346 1.816 10 70 CDIERN CC1CCN(C(=O)N2C[C@H](C(N)=O)CC[C@H]2C)CC1 ZINC000160433529 355880929 /nfs/dbraw/zinc/88/09/29/355880929.db2.gz GUYJSFRLABVGFU-VXGBXAGGSA-N 0 0 267.373 1.424 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000160139855 363686076 /nfs/dbraw/zinc/68/60/76/363686076.db2.gz ORCYSZRPEHRZOJ-UWVGGRQHSA-N 0 0 293.367 1.988 10 70 CDIERN CC[C@H](NC(=O)C[C@@H]1NC(=O)NC1=O)c1ccc(C)cc1 ZINC000160193551 363735378 /nfs/dbraw/zinc/73/53/78/363735378.db2.gz VKFACFYRMVKASO-RYUDHWBXSA-N 0 0 289.335 1.160 10 70 CDIERN Cc1cccc2[nH]c(CNC(=O)c3ccn[nH]3)nc21 ZINC000160409096 363849858 /nfs/dbraw/zinc/84/98/58/363849858.db2.gz FSCSYIGGARBXJK-UHFFFAOYSA-N 0 0 255.281 1.524 10 70 CDIERN CN(C(=O)Cn1ccnc1)c1ccc2c(c1)OCO2 ZINC000160551921 363999956 /nfs/dbraw/zinc/99/99/56/363999956.db2.gz XTAIXKVMQZPATB-UHFFFAOYSA-N 0 0 259.265 1.275 10 70 CDIERN Cc1cc(C[C@H](C)NC(=O)[C@H](C)Oc2cccnc2)[nH]n1 ZINC000161174149 364459456 /nfs/dbraw/zinc/45/94/56/364459456.db2.gz MLFIMDNSZWSHBJ-JQWIXIFHSA-N 0 0 288.351 1.628 10 70 CDIERN COCCCN(C)C(=O)NCCCc1nc(C(C)C)no1 ZINC000161193847 367579535 /nfs/dbraw/zinc/57/95/35/367579535.db2.gz OZUYXLUOAJXLEV-UHFFFAOYSA-N 0 0 298.387 1.804 10 70 CDIERN COc1cccc(C(=O)N2CCS(=O)(=O)C(C)(C)C2)c1 ZINC000160018999 374986301 /nfs/dbraw/zinc/98/63/01/374986301.db2.gz OTQVRNGDIGGKKE-UHFFFAOYSA-N 0 0 297.376 1.344 10 70 CDIERN CCc1cc(C)c(C(=O)N[C@H](C(N)=O)C(C)(C)C)o1 ZINC000160231435 377041439 /nfs/dbraw/zinc/04/14/39/377041439.db2.gz KETXYCMPALUAPM-LLVKDONJSA-N 0 0 266.341 1.780 10 70 CDIERN CO[C@@H](C)[C@H](C)Nc1ccc(S(C)(=O)=O)cc1 ZINC000161146383 377158980 /nfs/dbraw/zinc/15/89/80/377158980.db2.gz TYJORZYUMZQLFC-UWVGGRQHSA-N 0 0 257.355 1.925 10 70 CDIERN Cc1ccc(NC(=O)N[C@H](C(N)=O)C(C)C)s1 ZINC000161128200 377159086 /nfs/dbraw/zinc/15/90/86/377159086.db2.gz FGGWBPQGIQAILY-VIFPVBQESA-N 0 0 255.343 1.688 10 70 CDIERN COC[C@H](C)C(=O)N[C@@H]1CCOC2(CCCC2)C1 ZINC000159485170 390939961 /nfs/dbraw/zinc/93/99/61/390939961.db2.gz LQOJEPDMMDVQGQ-NWDGAFQWSA-N 0 0 255.358 1.877 10 70 CDIERN O=S(=O)(NC1CCCC1)N1CCO[C@H]2CCCC[C@H]21 ZINC000216853343 391015611 /nfs/dbraw/zinc/01/56/11/391015611.db2.gz GZWWKJITUKPQOS-OLZOCXBDSA-N 0 0 288.413 1.407 10 70 CDIERN CC[C@H](C)NC(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000217286519 140163172 /nfs/dbraw/zinc/16/31/72/140163172.db2.gz VVAIJELZVADHPM-GXTWGEPZSA-N 0 0 289.379 1.885 10 70 CDIERN CC1CCN(C(=O)N2CCN(C)C(=O)C2(C)C)CC1 ZINC000160694816 281794707 /nfs/dbraw/zinc/79/47/07/281794707.db2.gz SVLCITGBDSQSNQ-UHFFFAOYSA-N 0 0 267.373 1.391 10 70 CDIERN CCc1cc(C)c(C(=O)N2CCCC[C@H]2CNC(N)=O)o1 ZINC000159777664 292768508 /nfs/dbraw/zinc/76/85/08/292768508.db2.gz USDBAXQNIZTAQE-NSHDSACASA-N 0 0 293.367 1.813 10 70 CDIERN C[C@H](CS(C)(=O)=O)CS(=O)(=O)c1ccc(F)cc1 ZINC000160335549 292784277 /nfs/dbraw/zinc/78/42/77/292784277.db2.gz DWJDVZOMNKFCFL-SECBINFHSA-N 0 0 294.369 1.280 10 70 CDIERN C[C@@H](CS(C)(=O)=O)CS(=O)(=O)c1ccccc1 ZINC000160337916 292784434 /nfs/dbraw/zinc/78/44/34/292784434.db2.gz BDRRNOSOBIRQJQ-JTQLQIEISA-N 0 0 276.379 1.141 10 70 CDIERN CN(C(=O)c1cn2cccnc2n1)c1ccc2c(c1)OCO2 ZINC000160514420 292789389 /nfs/dbraw/zinc/78/93/89/292789389.db2.gz PMXYGFFKYMEUMN-UHFFFAOYSA-N 0 0 296.286 1.735 10 70 CDIERN Cc1cccc(CNC(=O)N2CCC[C@](C)(O)C2)n1 ZINC000160679060 292792620 /nfs/dbraw/zinc/79/26/20/292792620.db2.gz GODXPLBPXKSBRH-AWEZNQCLSA-N 0 0 263.341 1.446 10 70 CDIERN CCc1cnccc1C(=O)N[C@H](CO)CC(C)C ZINC000160799711 292794888 /nfs/dbraw/zinc/79/48/88/292794888.db2.gz IKMKIRCXHVUWDW-LBPRGKRZSA-N 0 0 250.342 1.781 10 70 CDIERN CC(C)[C@H](O)CC(=O)N[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000161440411 292805880 /nfs/dbraw/zinc/80/58/80/292805880.db2.gz JPSHJSALJHFNHP-VHSXEESVSA-N 0 0 283.372 1.951 10 70 CDIERN NC(=O)c1ccc(N2CC[C@]3(O)CCCC[C@@H]3C2)nc1 ZINC000160666713 295182943 /nfs/dbraw/zinc/18/29/43/295182943.db2.gz FCHQSXOWENPBFJ-IUODEOHRSA-N 0 0 275.352 1.312 10 70 CDIERN CCN(CC(=O)N(C)C)C(=O)N1CCC(C)CC1 ZINC000160408901 482799212 /nfs/dbraw/zinc/79/92/12/482799212.db2.gz LZJZODRZOWDWOQ-UHFFFAOYSA-N 0 0 255.362 1.248 10 70 CDIERN CCNC(=O)CCN1CCO[C@@H](c2nccs2)C1 ZINC000161443844 521735488 /nfs/dbraw/zinc/73/54/88/521735488.db2.gz XJGMZRHQXAQVAW-SNVBAGLBSA-N 0 0 269.370 1.043 10 70 CDIERN COC[C@H](O)CCNC(=O)[C@@H](C)Cc1ccccc1 ZINC000161196099 522774976 /nfs/dbraw/zinc/77/49/76/522774976.db2.gz BZKCEJXKCRPRMX-GXTWGEPZSA-N 0 0 265.353 1.379 10 70 CDIERN CN(Cc1cnn(C)c1)Cc1nnc(-c2ccccc2)n1C ZINC000160703724 523517206 /nfs/dbraw/zinc/51/72/06/523517206.db2.gz OJYWMSVYNRPLSK-UHFFFAOYSA-N 0 0 296.378 1.848 10 70 CDIERN CC[C@@H](CCO)NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000160111205 535743144 /nfs/dbraw/zinc/74/31/44/535743144.db2.gz YCCJFQIYUTZPHO-AAEUAGOBSA-N 0 0 283.755 1.921 10 70 CDIERN CCOC(=O)C[C@@H](C)NC(=O)c1nc(C)ncc1Cl ZINC000160653349 342483131 /nfs/dbraw/zinc/48/31/31/342483131.db2.gz CGQAWNGKIMILMH-SSDOTTSWSA-N 0 0 285.731 1.510 10 70 CDIERN C[C@H](CC(=O)N1CCN(C2CC2)CC1)c1ccncc1 ZINC000159465263 539114186 /nfs/dbraw/zinc/11/41/86/539114186.db2.gz RIPOOLXZZZTJNK-CYBMUJFWSA-N 0 0 273.380 1.882 10 70 CDIERN CCOC(=O)C[C@@H](C)NC(=O)CCOCC(C)C ZINC000160072969 362017376 /nfs/dbraw/zinc/01/73/76/362017376.db2.gz BGMRLVFYVUCKBX-LLVKDONJSA-N 0 0 259.346 1.507 10 70 CDIERN Cc1ccc2c(c1)[C@@H](NC(=O)[C@@H](NC(N)=O)C(C)C)CO2 ZINC000160235341 362075537 /nfs/dbraw/zinc/07/55/37/362075537.db2.gz JAJKWQVRBWDYSN-AAEUAGOBSA-N 0 0 291.351 1.238 10 70 CDIERN Cc1cccc2[nH]cc(CC(=O)NC3(CO)CC3)c21 ZINC000160263459 342371978 /nfs/dbraw/zinc/37/19/78/342371978.db2.gz WJBVGGHTQAIJJJ-UHFFFAOYSA-N 0 0 258.321 1.660 10 70 CDIERN Cc1ccc(-c2nc(C(=O)NC3(CO)CC3)cs2)n1C ZINC000160501946 342376091 /nfs/dbraw/zinc/37/60/91/342376091.db2.gz ALOIRWMHMPCVLO-UHFFFAOYSA-N 0 0 291.376 1.712 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)N1CCC[C@@H]1C ZINC000160865239 362191094 /nfs/dbraw/zinc/19/10/94/362191094.db2.gz CUOKTQVVCWZPOS-QMMMGPOBSA-N 0 0 265.313 1.495 10 70 CDIERN COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC1(C)CCC1 ZINC000161097253 362587189 /nfs/dbraw/zinc/58/71/89/362587189.db2.gz DKCBYIJRFNLPCV-GFCCVEGCSA-N 0 0 269.389 1.339 10 70 CDIERN NC(=O)CN1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000161137572 188510364 /nfs/dbraw/zinc/51/03/64/188510364.db2.gz KLHPPJXIDWLTSI-MNOVXSKESA-N 0 0 288.269 1.298 10 70 CDIERN CC[C@@H](C)OCC(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000159997418 363563076 /nfs/dbraw/zinc/56/30/76/363563076.db2.gz FAAGQQDVMSYEHH-CHWSQXEVSA-N 0 0 256.390 1.744 10 70 CDIERN O=C(NCCC[C@H]1CCCC[C@@H]1O)Nc1cccnn1 ZINC000160524353 237179559 /nfs/dbraw/zinc/17/95/59/237179559.db2.gz KSCFDCCOWBDVQQ-NEPJUHHUSA-N 0 0 278.356 1.929 10 70 CDIERN Cc1cccc(CNC(=O)N2CCC[C@@](C)(O)C2)n1 ZINC000160678945 360723702 /nfs/dbraw/zinc/72/37/02/360723702.db2.gz GODXPLBPXKSBRH-CQSZACIVSA-N 0 0 263.341 1.446 10 70 CDIERN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NC1(CO)CC1 ZINC000160199478 363751395 /nfs/dbraw/zinc/75/13/95/363751395.db2.gz YTSIBDZFTYPRGY-ZJUUUORDSA-N 0 0 251.351 1.801 10 70 CDIERN COc1ccc(OCCCC(=O)NC2(CO)CC2)cc1 ZINC000160311570 363819600 /nfs/dbraw/zinc/81/96/00/363819600.db2.gz FGEMMXZCFWPALL-UHFFFAOYSA-N 0 0 279.336 1.495 10 70 CDIERN CCOCCC(=O)NCc1nc2c(cccc2C)[nH]1 ZINC000160560617 364006038 /nfs/dbraw/zinc/00/60/38/364006038.db2.gz KUJNFPZESJCIKO-UHFFFAOYSA-N 0 0 261.325 1.914 10 70 CDIERN CC[C@@H](C)OCC(=O)Nc1ccc2c(c1)OCC(=O)N2 ZINC000159788678 364265212 /nfs/dbraw/zinc/26/52/12/364265212.db2.gz BYPLLGZKPTVSIE-SECBINFHSA-N 0 0 278.308 1.771 10 70 CDIERN C[C@H]1CN([C@@H]2CCCN(c3cnn(C)c3)C2=O)CCS1 ZINC000160586889 364379583 /nfs/dbraw/zinc/37/95/83/364379583.db2.gz PNBIIXCQLYFREY-WCQYABFASA-N 0 0 294.424 1.353 10 70 CDIERN CCc1nn(C)c(Cl)c1C(=O)N[C@H](C)Cn1cncn1 ZINC000160836214 364417599 /nfs/dbraw/zinc/41/75/99/364417599.db2.gz KZOWJYAEXBXALC-MRVPVSSYSA-N 0 0 296.762 1.046 10 70 CDIERN CC(C)(C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1)c1cccs1 ZINC000160930689 364429146 /nfs/dbraw/zinc/42/91/46/364429146.db2.gz RKTVSPKOVYXSMK-UWVGGRQHSA-N 0 0 296.392 1.175 10 70 CDIERN Cc1cc(C[C@H](C)NC(=O)c2cc(C(C)C)n[nH]2)[nH]n1 ZINC000161259601 364470309 /nfs/dbraw/zinc/47/03/09/364470309.db2.gz PIEYBXAUSBBBTC-VIFPVBQESA-N 0 0 275.356 1.926 10 70 CDIERN Cc1c(C(=O)N[C@@H](C)Cn2cncn2)cnn1CC(C)C ZINC000161504135 364504423 /nfs/dbraw/zinc/50/44/23/364504423.db2.gz SLXZMLSUEVOCGS-NSHDSACASA-N 0 0 290.371 1.258 10 70 CDIERN NS(=O)(=O)c1ccc(C(=O)NCCC2=CCCC2)o1 ZINC000161190895 364460478 /nfs/dbraw/zinc/46/04/78/364460478.db2.gz MFCSGYFGTXWUMT-UHFFFAOYSA-N 0 0 284.337 1.157 10 70 CDIERN CN1CCN(C(=O)NC2CCCCC2)C(C)(C)C1=O ZINC000160695057 364743255 /nfs/dbraw/zinc/74/32/55/364743255.db2.gz ZQQGUZZMNZHABI-UHFFFAOYSA-N 0 0 267.373 1.581 10 70 CDIERN CS[C@H](C)CNC(=O)c1cnc2c(c1)ncn2C ZINC000160960193 377138436 /nfs/dbraw/zinc/13/84/36/377138436.db2.gz FKMWXPUHESZFOY-MRVPVSSYSA-N 0 0 264.354 1.450 10 70 CDIERN COc1ccc(CNC(=O)[C@@H](C)C2CCOCC2)cn1 ZINC000161249823 377201432 /nfs/dbraw/zinc/20/14/32/377201432.db2.gz CNKXTZZLEYVFJC-NSHDSACASA-N 0 0 278.352 1.769 10 70 CDIERN CCOCCC(=O)N1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000159495862 286035993 /nfs/dbraw/zinc/03/59/93/286035993.db2.gz FQFCGEGIVQUDEJ-CHWSQXEVSA-N 0 0 297.351 1.357 10 70 CDIERN CC[C@H](NS(=O)(=O)C[C@@H]1CCOC1)c1nccs1 ZINC000159932526 288052755 /nfs/dbraw/zinc/05/27/55/288052755.db2.gz MQKBKCPZIYYQEI-ZJUUUORDSA-N 0 0 290.410 1.550 10 70 CDIERN CSCc1cc(C(=O)NC2(CO)CC2)ccc1F ZINC000160373194 292785877 /nfs/dbraw/zinc/78/58/77/292785877.db2.gz ISLZJRKTBHMTNP-UHFFFAOYSA-N 0 0 269.341 1.943 10 70 CDIERN COc1cccc(-c2cc(C(=O)NC3(CO)CC3)[nH]n2)c1 ZINC000160448784 292786893 /nfs/dbraw/zinc/78/68/93/292786893.db2.gz RGMJWCOGTLHQRH-UHFFFAOYSA-N 0 0 287.319 1.340 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)N1CCOC[C@@H]1CC ZINC000160639713 292791609 /nfs/dbraw/zinc/79/16/09/292791609.db2.gz KSPYQCHTMMPNTJ-JTQLQIEISA-N 0 0 295.339 1.121 10 70 CDIERN O=C(CNCC(F)(F)F)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160576132 303627360 /nfs/dbraw/zinc/62/73/60/303627360.db2.gz FXFBRFONFKOGRD-ZYHUDNBSSA-N 0 0 294.317 1.292 10 70 CDIERN CCN(CC)C(=O)CN1CCC[C@H](c2nncn2CC)C1 ZINC000161318623 520483088 /nfs/dbraw/zinc/48/30/88/520483088.db2.gz FMPWHOSUKNEGKB-ZDUSSCGKSA-N 0 0 293.415 1.346 10 70 CDIERN COCCc1noc(CN2CC[C@]3(O)CCCC[C@@H]3C2)n1 ZINC000160505777 522042266 /nfs/dbraw/zinc/04/22/66/522042266.db2.gz CNZAZIDKFIURMN-IUODEOHRSA-N 0 0 295.383 1.386 10 70 CDIERN CCc1ncnc(NC[C@@H]2CN(CC)CCO2)c1F ZINC000218009310 617851346 /nfs/dbraw/zinc/85/13/46/617851346.db2.gz LECDFPCIXGIDSE-SNVBAGLBSA-N 0 0 268.336 1.311 10 70 CDIERN COC(=O)CCNC(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000159836454 361877861 /nfs/dbraw/zinc/87/78/61/361877861.db2.gz BIJBYQQANONUDO-ONGXEEELSA-N 0 0 283.274 1.748 10 70 CDIERN CSCCCCC(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000159945497 361961188 /nfs/dbraw/zinc/96/11/88/361961188.db2.gz REGXCPHWEMJXOM-UHFFFAOYSA-N 0 0 293.454 1.555 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)N[C@H](C)C(C)C ZINC000159967045 361981065 /nfs/dbraw/zinc/98/10/65/361981065.db2.gz OFHAXYCYXNMYJL-MRVPVSSYSA-N 0 0 267.329 1.645 10 70 CDIERN CCOC(=O)c1sc(N)nc1-c1cn(C)cn1 ZINC000217817657 342234098 /nfs/dbraw/zinc/23/40/98/342234098.db2.gz HFBXRYGIDQOECW-UHFFFAOYSA-N 0 0 252.299 1.303 10 70 CDIERN Cc1csc([C@H]2CN(Cc3nncn3C)CCO2)n1 ZINC000160897341 362202843 /nfs/dbraw/zinc/20/28/43/362202843.db2.gz CKTXHFQBDMAHFJ-SNVBAGLBSA-N 0 0 279.369 1.154 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)N[C@@H]1CCCSC1 ZINC000160917639 362209067 /nfs/dbraw/zinc/20/90/67/362209067.db2.gz WXRUPKHCJQDTBU-SECBINFHSA-N 0 0 297.380 1.496 10 70 CDIERN CC[C@H](NCc1ccccc1-n1cccn1)C(=O)OC ZINC000159540121 362337563 /nfs/dbraw/zinc/33/75/63/362337563.db2.gz QAHIVRJIRWBIDX-ZDUSSCGKSA-N 0 0 273.336 1.914 10 70 CDIERN CC(=O)Nc1cccc(C(=O)N[C@H](C)[C@@H](C)CO)c1 ZINC000160287956 362407989 /nfs/dbraw/zinc/40/79/89/362407989.db2.gz FLLNSMBNLOAUKQ-VHSXEESVSA-N 0 0 264.325 1.392 10 70 CDIERN C[C@@H](CO)[C@@H](C)NC(=O)c1ccc(C(F)(F)F)[nH]c1=O ZINC000160317480 362412229 /nfs/dbraw/zinc/41/22/29/362412229.db2.gz BUIJBJIGFSWIKJ-NKWVEPMBSA-N 0 0 292.257 1.140 10 70 CDIERN Cn1ncc2c1ncnc2N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160651426 362463159 /nfs/dbraw/zinc/46/31/59/362463159.db2.gz YZTPHLQOAUCABQ-ABAIWWIYSA-N 0 0 287.367 1.495 10 70 CDIERN COCCOc1ccc(NC(=O)NC2(CO)CC2)c(C)c1 ZINC000161031549 362485311 /nfs/dbraw/zinc/48/53/11/362485311.db2.gz XVEGREAWVBDWPA-UHFFFAOYSA-N 0 0 294.351 1.667 10 70 CDIERN Cc1cc(NC(=O)c2cnn3c2CCCC3)c[nH]c1=O ZINC000159394336 358466943 /nfs/dbraw/zinc/46/69/43/358466943.db2.gz TWLLQRXOSNUXQR-UHFFFAOYSA-N 0 0 272.308 1.468 10 70 CDIERN COCCC1(CNC(=O)NC[C@@H]2CCC[C@H]2O)CC1 ZINC000161136812 237192246 /nfs/dbraw/zinc/19/22/46/237192246.db2.gz VOEZEYQGFHHYIA-NWDGAFQWSA-N 0 0 270.373 1.263 10 70 CDIERN NC(=O)[C@H]1CCC[C@@H](NS(=O)(=O)Cc2ccccc2)C1 ZINC000160202743 363755774 /nfs/dbraw/zinc/75/57/74/363755774.db2.gz KJLXMBOFPPALBE-QWHCGFSZSA-N 0 0 296.392 1.150 10 70 CDIERN Cc1cccc2[nH]c(CNC(=O)CN3CCCC3=O)nc21 ZINC000160224359 363772907 /nfs/dbraw/zinc/77/29/07/363772907.db2.gz PDIAKRITKNQJPT-UHFFFAOYSA-N 0 0 286.335 1.110 10 70 CDIERN COCCCOc1cccc(C(=O)NC2(CO)CC2)c1 ZINC000160371268 363841519 /nfs/dbraw/zinc/84/15/19/363841519.db2.gz YSWGXLTUUDDRDZ-UHFFFAOYSA-N 0 0 279.336 1.357 10 70 CDIERN CCCc1noc(CSC[C@H](C)CS(C)(=O)=O)n1 ZINC000159714647 364256291 /nfs/dbraw/zinc/25/62/91/364256291.db2.gz CXJJPPJNGOPJIA-VIFPVBQESA-N 0 0 292.426 1.936 10 70 CDIERN Cc1cc(OCC(=O)N2CCc3sccc3C2)nn1C ZINC000159774290 364264009 /nfs/dbraw/zinc/26/40/09/364264009.db2.gz GVGJBHMGBRHRFW-UHFFFAOYSA-N 0 0 291.376 1.754 10 70 CDIERN COC(=O)CCCc1nnc(NC(=O)N[C@@H]2C[C@H]2C)s1 ZINC000160734004 364403373 /nfs/dbraw/zinc/40/33/73/364403373.db2.gz SXAFBALHEKIFLY-HTQZYQBOSA-N 0 0 298.368 1.564 10 70 CDIERN C[C@@H](NC(=O)NOCc1cccnc1)[C@H]1CCCO1 ZINC000161093844 364447124 /nfs/dbraw/zinc/44/71/24/364447124.db2.gz UOWDGIVQPXOYSB-ZYHUDNBSSA-N 0 0 265.313 1.380 10 70 CDIERN COC[C@@H](O)CCNC(=O)C/C=C/c1ccc(F)cc1 ZINC000161250836 364469443 /nfs/dbraw/zinc/46/94/43/364469443.db2.gz LYTPQSKLHSFUDQ-HSWBROFVSA-N 0 0 281.327 1.743 10 70 CDIERN Cc1c(C(=O)N[C@H]2C[C@H]2C)cnn1C1CCOCC1 ZINC000161281878 364472836 /nfs/dbraw/zinc/47/28/36/364472836.db2.gz HQEPOMOWAHHOKA-RNCFNFMXSA-N 0 0 263.341 1.681 10 70 CDIERN O=C(CNC(=O)c1cccnc1)N1CCC[C@H]2CCC[C@@H]21 ZINC000161329456 364479549 /nfs/dbraw/zinc/47/95/49/364479549.db2.gz VHNYLGUUYCMDPN-OCCSQVGLSA-N 0 0 287.363 1.603 10 70 CDIERN Cn1cnnc1CNC(=O)[C@@]1(C)CCCc2ccccc21 ZINC000159943583 292774302 /nfs/dbraw/zinc/77/43/02/292774302.db2.gz DKGLAFUNIRQEQZ-INIZCTEOSA-N 0 0 284.363 1.726 10 70 CDIERN O=C(NC1(CO)CC1)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000160268943 292781995 /nfs/dbraw/zinc/78/19/95/292781995.db2.gz DQIPOCGXBZLOSA-KOLCDFICSA-N 0 0 267.275 1.709 10 70 CDIERN O=C(Nc1cccc(NC(=O)C2CC2)c1)NC1(CO)CC1 ZINC000160578315 292790739 /nfs/dbraw/zinc/79/07/39/292790739.db2.gz IYJNOHFRDHYZFO-UHFFFAOYSA-N 0 0 289.335 1.682 10 70 CDIERN C[C@@H](C[S@](=O)c1ccc(Cl)cn1)CS(C)(=O)=O ZINC000161069387 292799264 /nfs/dbraw/zinc/79/92/64/292799264.db2.gz MWPIBCNQDKUZMG-ZKANADHPSA-N 0 0 295.813 1.523 10 70 CDIERN COC[C@@H](NC(=O)[C@@H](C)C1CCOCC1)C1CC1 ZINC000161287354 292803910 /nfs/dbraw/zinc/80/39/10/292803910.db2.gz SRRFWPGJCPMTFI-GXFFZTMASA-N 0 0 255.358 1.590 10 70 CDIERN CCC[C@@H](NC(=O)[C@@H]1CCOC1)C(=O)OC(C)(C)C ZINC000161456199 520744984 /nfs/dbraw/zinc/74/49/84/520744984.db2.gz YRHNLPUDTSDEAV-GHMZBOCLSA-N 0 0 271.357 1.650 10 70 CDIERN CCCCN(CC)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000160989147 520465514 /nfs/dbraw/zinc/46/55/14/520465514.db2.gz SJMVQRBDZRGZLT-NSHDSACASA-N 0 0 265.361 1.425 10 70 CDIERN Cc1nc(CSC[C@H](C)CS(C)(=O)=O)no1 ZINC000159709823 361805747 /nfs/dbraw/zinc/80/57/47/361805747.db2.gz RMTGXISYUHRRQM-ZETCQYMHSA-N 0 0 264.372 1.292 10 70 CDIERN CC(=O)NCCCNC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000159931554 361951412 /nfs/dbraw/zinc/95/14/12/361951412.db2.gz FHNQFFWKWCLYMP-DGCLKSJQSA-N 0 0 296.317 1.711 10 70 CDIERN Cc1nc(CNC(=O)N(C[C@H](C)O)C(C)C)cs1 ZINC000159574210 539114394 /nfs/dbraw/zinc/11/43/94/539114394.db2.gz NNMXSZDWQDNUPG-VIFPVBQESA-N 0 0 271.386 1.752 10 70 CDIERN Cc1cc(C)n(-c2ccc(C(=O)NC3(CO)CC3)cn2)n1 ZINC000160261154 539115762 /nfs/dbraw/zinc/11/57/62/539115762.db2.gz FNSDWXFOECPERL-UHFFFAOYSA-N 0 0 286.335 1.139 10 70 CDIERN CCc1nnc(CN2CCCC[C@H]2c2nc[nH]n2)[nH]1 ZINC000160219576 362063464 /nfs/dbraw/zinc/06/34/64/362063464.db2.gz WACJAOQFUSBCGZ-VIFPVBQESA-N 0 0 261.333 1.212 10 70 CDIERN CC[C@@](C)(O)C[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000161002944 362475224 /nfs/dbraw/zinc/47/52/24/362475224.db2.gz OKXZJXBCCRIAFM-SMDDNHRTSA-N 0 0 272.389 1.746 10 70 CDIERN C[C@H](NC(=O)N[C@@H]1CCc2n[nH]cc2C1)[C@@H]1CCCO1 ZINC000159793112 362523665 /nfs/dbraw/zinc/52/36/65/362523665.db2.gz NBBMPVPRHGUFEM-NDMJEZRESA-N 0 0 278.356 1.134 10 70 CDIERN COC(=O)c1nccc(N2CC[C@]3(O)CCCC[C@@H]3C2)n1 ZINC000160655580 346188869 /nfs/dbraw/zinc/18/88/69/346188869.db2.gz MKMUKVBQZQMISD-IAQYHMDHSA-N 0 0 291.351 1.395 10 70 CDIERN CCCNC(=O)CNC(=O)N(CC)CCc1nccs1 ZINC000161225497 188516675 /nfs/dbraw/zinc/51/66/75/188516675.db2.gz DDQAAYWKRQZVTD-UHFFFAOYSA-N 0 0 298.412 1.243 10 70 CDIERN Cc1cc(C[C@@H](C)NC(=O)CCc2ccncc2)[nH]n1 ZINC000161257095 188517861 /nfs/dbraw/zinc/51/78/61/188517861.db2.gz JXXHLBHTXLRDHR-LLVKDONJSA-N 0 0 272.352 1.793 10 70 CDIERN CNC(=O)[C@@H]1CCCN1C(=O)NC[C@]1(C)CCCS1 ZINC000159811492 363338817 /nfs/dbraw/zinc/33/88/17/363338817.db2.gz WGYUFYQLPODNHC-GWCFXTLKSA-N 0 0 285.413 1.192 10 70 CDIERN CCC[C@H](C)C(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000159969812 363524722 /nfs/dbraw/zinc/52/47/22/363524722.db2.gz VYVCBQLYFBTJBE-JTQLQIEISA-N 0 0 261.387 1.458 10 70 CDIERN Cc1ccc(CCNC(=O)c2nc(C)c(C)[nH]c2=O)cc1 ZINC000160209163 363758080 /nfs/dbraw/zinc/75/80/80/363758080.db2.gz OCEQGLGRFVRYGY-UHFFFAOYSA-N 0 0 285.347 1.668 10 70 CDIERN CSC[C@](C)(O)CNC(=O)NCCCC1CC1 ZINC000160402693 363849048 /nfs/dbraw/zinc/84/90/48/363849048.db2.gz SFPZRYRDEQCWRQ-GFCCVEGCSA-N 0 0 260.403 1.590 10 70 CDIERN Cc1cc(=O)[nH]cc1C(=O)N(C)c1ccc2c(c1)OCO2 ZINC000160442806 363872250 /nfs/dbraw/zinc/87/22/50/363872250.db2.gz AIBSGEJIMSNABL-UHFFFAOYSA-N 0 0 286.287 1.689 10 70 CDIERN COC[C@H]1CCCN(c2nc(C)nc(OC)c2C)C1 ZINC000159399081 364200086 /nfs/dbraw/zinc/20/00/86/364200086.db2.gz IRQJVLQRXCAXID-LBPRGKRZSA-N 0 0 265.357 1.965 10 70 CDIERN CS[C@@H](C)CNC(=O)N[C@@H]1CCCn2ncnc21 ZINC000159542493 364230311 /nfs/dbraw/zinc/23/03/11/364230311.db2.gz XMRUNOAGIBARJI-DTWKUNHWSA-N 0 0 269.374 1.164 10 70 CDIERN CCc1ncnc(N2CCN(CCOC)[C@H](CC)C2)c1F ZINC000159900934 364279492 /nfs/dbraw/zinc/27/94/92/364279492.db2.gz JTEIFJMQXDUMPX-GFCCVEGCSA-N 0 0 296.390 1.725 10 70 CDIERN Cc1ccc(F)c(NC(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000161295107 364476332 /nfs/dbraw/zinc/47/63/32/364476332.db2.gz WCNJILCTHUDWMA-JTQLQIEISA-N 0 0 289.314 1.862 10 70 CDIERN Cc1c(C(=O)N[C@H](C)Cn2cncn2)cnn1CC(C)C ZINC000161504251 364504381 /nfs/dbraw/zinc/50/43/81/364504381.db2.gz SLXZMLSUEVOCGS-LLVKDONJSA-N 0 0 290.371 1.258 10 70 CDIERN C[C@H](C(=O)N(C)CC(=O)NC(C)(C)C)C1CCOCC1 ZINC000160746614 377113452 /nfs/dbraw/zinc/11/34/52/377113452.db2.gz QSSZHGVLPCOZJT-NSHDSACASA-N 0 0 284.400 1.422 10 70 CDIERN CCC[C@@H]1CN(C(=O)NCCc2nc(C)no2)CCO1 ZINC000160880700 377121940 /nfs/dbraw/zinc/12/19/40/377121940.db2.gz QYHVWUOXIMUPIK-LLVKDONJSA-N 0 0 282.344 1.131 10 70 CDIERN COCCCOc1ccccc1NC(=O)NC1(CO)CC1 ZINC000161265189 377531989 /nfs/dbraw/zinc/53/19/89/377531989.db2.gz OETLDOMJUBKFDZ-UHFFFAOYSA-N 0 0 294.351 1.748 10 70 CDIERN Cc1noc([C@H]2COCCN2C[C@H](O)c2ccccc2)n1 ZINC000161189446 391583244 /nfs/dbraw/zinc/58/32/44/391583244.db2.gz CDSHYYZBSXTPFW-KGLIPLIRSA-N 0 0 289.335 1.485 10 70 CDIERN O[C@@H](C[C@@H]1COCCN1Cc1ncc[nH]1)c1ccco1 ZINC000159457253 296561890 /nfs/dbraw/zinc/56/18/90/296561890.db2.gz XFFORNKICJTUHU-NEPJUHHUSA-N 0 0 277.324 1.327 10 70 CDIERN CC(C)C[C@H](C)NC(=O)N[C@@H]1CCCn2ncnc21 ZINC000159534935 279109417 /nfs/dbraw/zinc/10/94/17/279109417.db2.gz FKELECJFEBPIIU-WDEREUQCSA-N 0 0 265.361 1.847 10 70 CDIERN c1cn(CCSc2nnnn2Cc2ccccc2)cn1 ZINC000159745901 292767554 /nfs/dbraw/zinc/76/75/54/292767554.db2.gz ISMHGSUAAQOVRS-UHFFFAOYSA-N 0 0 286.364 1.710 10 70 CDIERN CC(=O)NCCNC(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000159795477 292769354 /nfs/dbraw/zinc/76/93/54/292769354.db2.gz DHSCUKIEAZEARI-CQSZACIVSA-N 0 0 293.342 1.638 10 70 CDIERN CC(C)(C)CCC(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000160069309 292776984 /nfs/dbraw/zinc/77/69/84/292776984.db2.gz JZZQFDIDOFBOQP-UHFFFAOYSA-N 0 0 275.414 1.848 10 70 CDIERN CCOCC(=O)Nc1ccc(-c2nc(C)cc(=O)[nH]2)cc1 ZINC000161208933 521665944 /nfs/dbraw/zinc/66/59/44/521665944.db2.gz WCKMTWPFFBSLPQ-UHFFFAOYSA-N 0 0 287.319 1.720 10 70 CDIERN COc1cccc(CNC(=O)[C@@H]2CCn3ccnc3C2)n1 ZINC000161057449 525997489 /nfs/dbraw/zinc/99/74/89/525997489.db2.gz BJLKTGFHKQBRHQ-LLVKDONJSA-N 0 0 286.335 1.166 10 70 CDIERN CC(C)N(CCc1nccs1)Cc1ncnn1C ZINC000159906120 528916474 /nfs/dbraw/zinc/91/64/74/528916474.db2.gz XQZDFEUCGYBQTF-UHFFFAOYSA-N 0 0 265.386 1.725 10 70 CDIERN COc1nc(C)nc(N2CCC[C@H](CNC(C)=O)C2)c1C ZINC000159362098 537134490 /nfs/dbraw/zinc/13/44/90/537134490.db2.gz VQKOZEIUHXBPOT-CYBMUJFWSA-N 0 0 292.383 1.455 10 70 CDIERN COc1ccc(OCCn2cnn(C(C)(C)C)c2=O)cc1 ZINC000159600878 361748441 /nfs/dbraw/zinc/74/84/41/361748441.db2.gz NCKHTHUNYDHQKG-UHFFFAOYSA-N 0 0 291.351 1.887 10 70 CDIERN CSc1nsc(NC(=O)[C@H]2CC[C@H](C)O2)n1 ZINC000159603855 361750193 /nfs/dbraw/zinc/75/01/93/361750193.db2.gz PXGNUFFVPRRNQJ-NTSWFWBYSA-N 0 0 259.356 1.766 10 70 CDIERN Cc1[nH]c2ccccc2c1CC(=O)NC1(CO)CC1 ZINC000159837848 342072881 /nfs/dbraw/zinc/07/28/81/342072881.db2.gz VYCUAJHKRGYYGS-UHFFFAOYSA-N 0 0 258.321 1.660 10 70 CDIERN CC[C@H](NS(=O)(=O)CCOC)c1nccs1 ZINC000159957854 361970592 /nfs/dbraw/zinc/97/05/92/361970592.db2.gz QLZLXGRWTVHVMN-QMMMGPOBSA-N 0 0 264.372 1.160 10 70 CDIERN COCCC1(C(=O)N2CCC(OCCCO)CC2)CCC1 ZINC000160300668 539115670 /nfs/dbraw/zinc/11/56/70/539115670.db2.gz AQWKOBNYEBOVDM-UHFFFAOYSA-N 0 0 299.411 1.583 10 70 CDIERN CCc1c(C(=O)N(C)Cc2ccco2)[nH]c(C)c1C(N)=O ZINC000159514163 529472314 /nfs/dbraw/zinc/47/23/14/529472314.db2.gz XVVDORJWSVTYQO-UHFFFAOYSA-N 0 0 289.335 1.850 10 70 CDIERN CSCCCC(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000160147084 362037871 /nfs/dbraw/zinc/03/78/71/362037871.db2.gz YPWXEDWKFRRUIC-UHFFFAOYSA-N 0 0 279.427 1.165 10 70 CDIERN C[C@@H](CO)NC(=O)NCc1cccc(-c2ccccn2)c1 ZINC000160216524 362059364 /nfs/dbraw/zinc/05/93/64/362059364.db2.gz SYKPSBGCMSUVEL-LBPRGKRZSA-N 0 0 285.347 1.929 10 70 CDIERN CC1(C)COCN1S(=O)(=O)Cc1noc2ccccc21 ZINC000218384272 342439521 /nfs/dbraw/zinc/43/95/21/342439521.db2.gz JLNYUGXDWXLSOT-UHFFFAOYSA-N 0 0 296.348 1.726 10 70 CDIERN CS(=O)(=O)CCCCSCCOC[C@@H]1CCCO1 ZINC000160958653 346950711 /nfs/dbraw/zinc/95/07/11/346950711.db2.gz NDEBDAJSGVJYSY-LBPRGKRZSA-N 0 0 296.454 1.740 10 70 CDIERN CC[C@H](CCO)NC(=O)[C@H](C)NC(=O)c1ccccc1 ZINC000160098306 362394260 /nfs/dbraw/zinc/39/42/60/362394260.db2.gz DDBWSBDXRWUVGU-WCQYABFASA-N 0 0 278.352 1.082 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)NCC1(CC)CC1 ZINC000160987844 362424639 /nfs/dbraw/zinc/42/46/39/362424639.db2.gz KPSAXRBWOXUNEX-UHFFFAOYSA-N 0 0 279.340 1.790 10 70 CDIERN COc1cccc([S@](=O)C[C@@H](C)CS(C)(=O)=O)c1 ZINC000161060850 362536485 /nfs/dbraw/zinc/53/64/85/362536485.db2.gz LSCXQINVBXOOTH-QGHHPUGFSA-N 0 0 290.406 1.484 10 70 CDIERN CC1(O)CCN(CC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000161217835 362706299 /nfs/dbraw/zinc/70/62/99/362706299.db2.gz VTEZBDXVYQIHFQ-UHFFFAOYSA-N 0 0 284.306 1.750 10 70 CDIERN Cc1conc1NC(=O)C(=O)N1CCCC1(C)C ZINC000161018795 188503330 /nfs/dbraw/zinc/50/33/30/188503330.db2.gz XWYBTEHKJXQKMX-UHFFFAOYSA-N 0 0 251.286 1.323 10 70 CDIERN O=C(NC[C@@H]1CCCC[C@@H]1O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000160644313 370664144 /nfs/dbraw/zinc/66/41/44/370664144.db2.gz HNQDDJWJALJHOF-XGUBFFRZSA-N 0 0 296.411 1.794 10 70 CDIERN C[C@@H](C(=O)NCc1ccc(C(N)=O)cc1)C1CCOCC1 ZINC000159454284 358574258 /nfs/dbraw/zinc/57/42/58/358574258.db2.gz RCTAWLBTFUUSOC-LLVKDONJSA-N 0 0 290.363 1.464 10 70 CDIERN COCCOCC(=O)NCc1nc2c(cccc2C)[nH]1 ZINC000160235766 363790338 /nfs/dbraw/zinc/79/03/38/363790338.db2.gz RLEMBIJVEKGSHR-UHFFFAOYSA-N 0 0 277.324 1.151 10 70 CDIERN CC(=O)N(CCC(=O)NC1(CO)CC1)Cc1ccccc1 ZINC000160245464 363792906 /nfs/dbraw/zinc/79/29/06/363792906.db2.gz RYCDBFFHGYRKFG-UHFFFAOYSA-N 0 0 290.363 1.066 10 70 CDIERN CNC(=O)C1(C(=O)NCc2nc3c(cccc3C)[nH]2)CC1 ZINC000160285772 363808420 /nfs/dbraw/zinc/80/84/20/363808420.db2.gz OREFTKZOFYQTJC-UHFFFAOYSA-N 0 0 286.335 1.014 10 70 CDIERN COc1ccc(SCCC(=O)NC2(CO)CC2)cc1 ZINC000160563488 364019076 /nfs/dbraw/zinc/01/90/76/364019076.db2.gz CRHHKJJJBLLWDK-UHFFFAOYSA-N 0 0 281.377 1.819 10 70 CDIERN Cn1nccc1CNC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000159759777 364262186 /nfs/dbraw/zinc/26/21/86/364262186.db2.gz GZNVLWRJHVPBOG-WFASDCNBSA-N 0 0 292.383 1.257 10 70 CDIERN CNC(=O)[C@H](C)NC(=O)C=C1CCC(C)(C)CC1 ZINC000160034318 364297784 /nfs/dbraw/zinc/29/77/84/364297784.db2.gz GWTZCYBYWLHWRH-JTQLQIEISA-N 0 0 252.358 1.764 10 70 CDIERN Cn1cnc2cc(C(=O)NCC3(O)CCCC3)cnc21 ZINC000160498693 369986545 /nfs/dbraw/zinc/98/65/45/369986545.db2.gz SKVBAIMWVPXTAD-UHFFFAOYSA-N 0 0 274.324 1.003 10 70 CDIERN COc1cccc(CNC(=O)N(C)C[C@@H]2CCC[C@@H]2O)n1 ZINC000160337541 377056422 /nfs/dbraw/zinc/05/64/22/377056422.db2.gz NPFOAXFBBVNMAM-AAEUAGOBSA-N 0 0 293.367 1.393 10 70 CDIERN CNC(=O)c1cccnc1N[C@H]1CCOC(C)(C)C1 ZINC000160649901 377099526 /nfs/dbraw/zinc/09/95/26/377099526.db2.gz ZRDKLCHAJSMCFB-JTQLQIEISA-N 0 0 263.341 1.811 10 70 CDIERN CC(C)OC(=O)CCCNC(=O)N(C[C@@H](C)O)C(C)C ZINC000160220654 147712939 /nfs/dbraw/zinc/71/29/39/147712939.db2.gz RCIRPGODGFFXMT-GFCCVEGCSA-N 0 0 288.388 1.519 10 70 CDIERN C[C@H](C(=O)N1CCS[C@@H]2COCC[C@@H]21)C1CCOCC1 ZINC000160173373 289296170 /nfs/dbraw/zinc/29/61/70/289296170.db2.gz XLBXLHAMLUYXTO-FPMFFAJLSA-N 0 0 299.436 1.782 10 70 CDIERN CCc1cnccc1C(=O)Nc1nnc2ccccn21 ZINC000159552883 292761820 /nfs/dbraw/zinc/76/18/20/292761820.db2.gz VEJMHVBEOHAMKS-UHFFFAOYSA-N 0 0 267.292 1.939 10 70 CDIERN CCCc1cc(NC(=O)c2ccc(OC)nn2)n[nH]1 ZINC000159666254 292764491 /nfs/dbraw/zinc/76/44/91/292764491.db2.gz GXFCQFHYOOYBFN-UHFFFAOYSA-N 0 0 261.285 1.413 10 70 CDIERN C[C@H](Oc1cccc(CO)c1)C(=O)Nc1cn[nH]c1 ZINC000159831129 292770672 /nfs/dbraw/zinc/77/06/72/292770672.db2.gz RPCKPMPEONXQGG-VIFPVBQESA-N 0 0 261.281 1.308 10 70 CDIERN CC(=O)C[C@@H](C)NC(=O)C[C@@H](NC(C)=O)c1ccccc1 ZINC000159963319 292774345 /nfs/dbraw/zinc/77/43/45/292774345.db2.gz GFJATQVNEIKJHR-IAQYHMDHSA-N 0 0 290.363 1.738 10 70 CDIERN Cc1c(C(=O)NC2(CO)CC2)cnn1-c1ccccc1F ZINC000160296208 292782825 /nfs/dbraw/zinc/78/28/25/292782825.db2.gz MCTORTQZKNAPGU-UHFFFAOYSA-N 0 0 289.310 1.575 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)NC[C@H](O)[C@@H](C)CC ZINC000160595827 292790891 /nfs/dbraw/zinc/79/08/91/292790891.db2.gz GKBMCIIFSWXHCT-KWQFWETISA-N 0 0 297.355 1.007 10 70 CDIERN CC(C)COC1CCN(Cc2nncn2C)CC1 ZINC000160824621 292794775 /nfs/dbraw/zinc/79/47/75/292794775.db2.gz VEUBDSHLZKJREH-UHFFFAOYSA-N 0 0 252.362 1.452 10 70 CDIERN CC(C)n1ccnc1CN1CCC(n2cncn2)CC1 ZINC000160884770 520026767 /nfs/dbraw/zinc/02/67/67/520026767.db2.gz CQGUGSGXDKOOMF-UHFFFAOYSA-N 0 0 274.372 1.893 10 70 CDIERN COCCCCNC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000160732654 523162384 /nfs/dbraw/zinc/16/23/84/523162384.db2.gz YVCLCMJFKPQUQI-ZFWWWQNUSA-N 0 0 284.400 1.750 10 70 CDIERN O=C(CC1(O)CCCC1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000161440807 526330860 /nfs/dbraw/zinc/33/08/60/526330860.db2.gz LYRSMHMSTMTDEW-CQSZACIVSA-N 0 0 290.363 1.757 10 70 CDIERN O=C(NC[C@H]1CN(C2CC2)CCO1)c1cccnc1Cl ZINC000160401780 526621097 /nfs/dbraw/zinc/62/10/97/526621097.db2.gz WIIKKQNOGKOPFW-NSHDSACASA-N 0 0 295.770 1.328 10 70 CDIERN CC1(O)CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 ZINC000161244384 528042389 /nfs/dbraw/zinc/04/23/89/528042389.db2.gz WTNYFULPFASEJB-UHFFFAOYSA-N 0 0 297.376 1.077 10 70 CDIERN O[C@@H](COC[C@H]1CCCO1)CN1CCc2ccccc21 ZINC000216892066 538459705 /nfs/dbraw/zinc/45/97/05/538459705.db2.gz FQFRKBZVNQYXKO-HUUCEWRRSA-N 0 0 277.364 1.606 10 70 CDIERN O=C(Nc1ccc(-c2csnn2)cc1)NC1(CO)CC1 ZINC000161373516 539077556 /nfs/dbraw/zinc/07/75/56/539077556.db2.gz FJHPMSUUAAEZFH-UHFFFAOYSA-N 0 0 290.348 1.852 10 70 CDIERN Cc1nccc(NC(=O)NCCCn2ccnn2)c1Cl ZINC000159555474 539114402 /nfs/dbraw/zinc/11/44/02/539114402.db2.gz IBLYHWOPMUGVNN-UHFFFAOYSA-N 0 0 294.746 1.847 10 70 CDIERN CC(C)(C)C[C@H]1CCCN1C(=O)CN1CCC(=O)NC1=O ZINC000216966878 342439413 /nfs/dbraw/zinc/43/94/13/342439413.db2.gz QKXUKPWEJSUZPH-LLVKDONJSA-N 0 0 295.383 1.356 10 70 CDIERN CCn1ccnc(N2CC[C@@]3(O)CCCC[C@@H]3C2)c1=O ZINC000160668572 362466156 /nfs/dbraw/zinc/46/61/56/362466156.db2.gz SEABXDVSWJEXFA-DOMZBBRYSA-N 0 0 277.368 1.395 10 70 CDIERN CCc1cccc(CC(=O)NCCn2cccn2)c1 ZINC000161024993 362481901 /nfs/dbraw/zinc/48/19/01/362481901.db2.gz GZHNQRJMQGVDJS-UHFFFAOYSA-N 0 0 257.337 1.804 10 70 CDIERN C[C@@H]1CCN(C(=O)c2cnc3c(c2)ncn3C)[C@H]1C ZINC000160710632 346199500 /nfs/dbraw/zinc/19/95/00/346199500.db2.gz JTXGKLVDEXRBGW-ZJUUUORDSA-N 0 0 258.325 1.839 10 70 CDIERN CCc1nnc(CN[C@H](C)c2ccc(-n3cncn3)cc2)[nH]1 ZINC000160277444 362938577 /nfs/dbraw/zinc/93/85/77/362938577.db2.gz FMGRGQKPUBNEQX-LLVKDONJSA-N 0 0 297.366 1.799 10 70 CDIERN CCOCCOCC(=O)N(C)c1ccc(OC)c(F)c1 ZINC000159646574 363115761 /nfs/dbraw/zinc/11/57/61/363115761.db2.gz BCUGSWQSUYVACQ-UHFFFAOYSA-N 0 0 285.315 1.850 10 70 CDIERN CCc1ncc(NC(=O)NC[C@@H]2CCCC[C@@H]2O)cn1 ZINC000161212579 188515324 /nfs/dbraw/zinc/51/53/24/188515324.db2.gz OBGWMWMZHSUDIF-JQWIXIFHSA-N 0 0 278.356 1.712 10 70 CDIERN CCC[C@@H](NC(=O)Cc1cnn(C)c1)C(=O)OC(C)(C)C ZINC000161347095 188523307 /nfs/dbraw/zinc/52/33/07/188523307.db2.gz LGROMJXFRBEWDN-GFCCVEGCSA-N 0 0 295.383 1.589 10 70 CDIERN CS[C@H](C)CC(=O)N1CCC[C@H](NC(C)=O)C1 ZINC000160116160 363676042 /nfs/dbraw/zinc/67/60/42/363676042.db2.gz IOCDRHBHZSHFOF-KOLCDFICSA-N 0 0 258.387 1.255 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)N1CCCC[C@@H]1C ZINC000160148000 363685030 /nfs/dbraw/zinc/68/50/30/363685030.db2.gz NCVRRHNEHBRUEQ-VIFPVBQESA-N 0 0 279.340 1.885 10 70 CDIERN CC(=O)N[C@@H](CC(=O)NC1(CO)CC1)c1ccc(C)cc1 ZINC000160221756 363771756 /nfs/dbraw/zinc/77/17/56/363771756.db2.gz YOLKWIHEHSPESF-AWEZNQCLSA-N 0 0 290.363 1.203 10 70 CDIERN O=C(NC1(CO)CC1)c1cc(-c2ccc(F)cc2)on1 ZINC000160255800 363798512 /nfs/dbraw/zinc/79/85/12/363798512.db2.gz MYLUMCZQVLSAOC-UHFFFAOYSA-N 0 0 276.267 1.735 10 70 CDIERN O=C1CN(Cc2cc(-c3ccccc3)n[nH]2)CCN1 ZINC000160515576 363965680 /nfs/dbraw/zinc/96/56/80/363965680.db2.gz XREFZIUPBCJECS-UHFFFAOYSA-N 0 0 256.309 1.009 10 70 CDIERN COC(=O)c1cc(CN(C)CCC(C)=O)oc1C ZINC000159402625 364199878 /nfs/dbraw/zinc/19/98/78/364199878.db2.gz RFBGVSQSLNGZSH-UHFFFAOYSA-N 0 0 253.298 1.786 10 70 CDIERN O=C(NCCC1=CCCC1)c1ccccc1-n1cnnn1 ZINC000160314600 364333669 /nfs/dbraw/zinc/33/36/69/364333669.db2.gz JGLQDCJXMCUQNB-UHFFFAOYSA-N 0 0 283.335 1.893 10 70 CDIERN CC(C)(C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1)c1cccs1 ZINC000160930450 364429111 /nfs/dbraw/zinc/42/91/11/364429111.db2.gz RKTVSPKOVYXSMK-VHSXEESVSA-N 0 0 296.392 1.175 10 70 CDIERN CCc1ncnc(N2C[C@H](C)[C@H](N3CCOCC3)C2)c1F ZINC000160415364 390979138 /nfs/dbraw/zinc/97/91/38/390979138.db2.gz HNUVXNQEYFCSFO-WCQYABFASA-N 0 0 294.374 1.335 10 70 CDIERN COc1ccc(O[C@H](C)C(=O)N[C@@H]2CCC[C@@H]2CO)cc1 ZINC000218000284 280090149 /nfs/dbraw/zinc/09/01/49/280090149.db2.gz KFWAOKDXKURZDH-LALPHHSUSA-N 0 0 293.363 1.740 10 70 CDIERN CCNC(=O)CN(CC)C(=O)Cc1cccc(CC)c1 ZINC000160009122 292775884 /nfs/dbraw/zinc/77/58/84/292775884.db2.gz ABONDSPDDCYVJZ-UHFFFAOYSA-N 0 0 276.380 1.776 10 70 CDIERN CONC(=O)[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000159849499 292772211 /nfs/dbraw/zinc/77/22/11/292772211.db2.gz OUBGVGVADKZEKE-UWVGGRQHSA-N 0 0 272.345 1.748 10 70 CDIERN O=C(CSCC(=O)c1ccccc1)NC1(CO)CC1 ZINC000160320073 292783924 /nfs/dbraw/zinc/78/39/24/292783924.db2.gz ADJKGAUHLXCRCD-UHFFFAOYSA-N 0 0 279.361 1.244 10 70 CDIERN CCC(CC)CNC(=O)N[C@H]1CCc2ncnn2C1 ZINC000160586208 521529277 /nfs/dbraw/zinc/52/92/77/521529277.db2.gz MXFHWZMYVSKMSF-NSHDSACASA-N 0 0 265.361 1.328 10 70 CDIERN CC(C)S(=O)(=O)CCCN1CCO[C@H]2CCCC[C@@H]21 ZINC000161006586 519786687 /nfs/dbraw/zinc/78/66/87/519786687.db2.gz MKGIXVIEJMJRIX-KBPBESRZSA-N 0 0 289.441 1.843 10 70 CDIERN Cc1nc(NC(=O)[C@@H]2CC(=O)N(C)C2)cc(C2CC2)n1 ZINC000160295757 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289.379 1.743 10 70 CDIERN Brc1cncnc1N1CCOC[C@@H]1C1CC1 ZINC000159680075 277668165 /nfs/dbraw/zinc/66/81/65/277668165.db2.gz HXIRUOCTMGCWBN-SNVBAGLBSA-N 0 0 284.157 1.854 10 70 CDIERN CC[C@@H](NCc1ccccc1-n1cccn1)C(=O)OC ZINC000159540279 280190802 /nfs/dbraw/zinc/19/08/02/280190802.db2.gz QAHIVRJIRWBIDX-CYBMUJFWSA-N 0 0 273.336 1.914 10 70 CDIERN C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)N1S(C)(=O)=O ZINC000159437543 288391088 /nfs/dbraw/zinc/39/10/88/288391088.db2.gz RAFIYKYQERUFHN-NTZNESFSSA-N 0 0 269.366 1.797 10 70 CDIERN C[C@H]1Sc2ccc(C(=O)NC3(CO)CC3)cc2NC1=O ZINC000160327093 292783880 /nfs/dbraw/zinc/78/38/80/292783880.db2.gz BWAVFBZCHGKWMB-MRVPVSSYSA-N 0 0 292.360 1.374 10 70 CDIERN CCCC(=O)NCC(=O)N[C@@H](CC)c1c(C)noc1C ZINC000160340999 292784500 /nfs/dbraw/zinc/78/45/00/292784500.db2.gz LUQAHISFSJBVGI-NSHDSACASA-N 0 0 281.356 1.775 10 70 CDIERN O=C(N1CCO[C@H]2CCCC[C@@H]21)C1(O)CCSCC1 ZINC000159971361 303686838 /nfs/dbraw/zinc/68/68/38/303686838.db2.gz BNPJWADTSQAANW-RYUDHWBXSA-N 0 0 285.409 1.415 10 70 CDIERN CCn1cnnc1[C@H]1CCCN(CC(=O)N2CCCC2)C1 ZINC000161422885 523603086 /nfs/dbraw/zinc/60/30/86/523603086.db2.gz UXUPFYWQHDRFMM-ZDUSSCGKSA-N 0 0 291.399 1.100 10 70 CDIERN C[C@@H](CO)N(C)C(=O)C[C@@H]1CCOc2ccccc21 ZINC000160453787 524780506 /nfs/dbraw/zinc/78/05/06/524780506.db2.gz FNLSYWVACFUFQQ-RYUDHWBXSA-N 0 0 263.337 1.782 10 70 CDIERN C[C@H]1CC[C@H](CCC(=O)N2CCC(OCCCO)CC2)O1 ZINC000160123199 539115437 /nfs/dbraw/zinc/11/54/37/539115437.db2.gz WPTRESLWPFOEKK-DZGCQCFKSA-N 0 0 299.411 1.724 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)N[C@@H](CO)CC(C)C ZINC000160929612 362213003 /nfs/dbraw/zinc/21/30/03/362213003.db2.gz BTOJUNDVSPTDSC-SNVBAGLBSA-N 0 0 297.355 1.007 10 70 CDIERN C[C@@H](CO)[C@H](C)NC(=O)CCCOc1ccccc1 ZINC000160387168 362419953 /nfs/dbraw/zinc/41/99/53/362419953.db2.gz KMVYAHNCCGPEDG-STQMWFEESA-N 0 0 265.353 1.979 10 70 CDIERN COc1ccc(C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)cn1 ZINC000160348458 362415885 /nfs/dbraw/zinc/41/58/85/362415885.db2.gz MSVXJXYOEDLVFL-BBRMVZONSA-N 0 0 290.363 1.857 10 70 CDIERN COC(=O)[C@H]1CCCN(C(=O)C[C@@H](C)c2ccncc2)C1 ZINC000160371559 346045637 /nfs/dbraw/zinc/04/56/37/346045637.db2.gz DRDZYRUFWQQBKP-OCCSQVGLSA-N 0 0 290.363 1.987 10 70 CDIERN Cc1ccc(C(=O)N2CC[C@H]3NC(=O)CC[C@H]3C2)c(C)n1 ZINC000160607819 346178127 /nfs/dbraw/zinc/17/81/27/346178127.db2.gz CRAAJJJUCUNXJM-GXTWGEPZSA-N 0 0 287.363 1.439 10 70 CDIERN Cc1conc1NC(=O)C(=O)N[C@H]1c2ccccc2C[C@@H]1C ZINC000161158781 362704640 /nfs/dbraw/zinc/70/46/40/362704640.db2.gz ARMPHXPTHRCIJN-TVQRCGJNSA-N 0 0 299.330 1.971 10 70 CDIERN CCn1nc(C)cc1C(=O)Nc1n[nH]c(C(F)(F)F)n1 ZINC000160858017 346644615 /nfs/dbraw/zinc/64/46/15/346644615.db2.gz BTUHKFSPKUKAER-UHFFFAOYSA-N 0 0 288.233 1.601 10 70 CDIERN CC1(O)CCN(C(=O)CCCNC(=O)c2ccco2)CC1 ZINC000161287931 362928191 /nfs/dbraw/zinc/92/81/91/362928191.db2.gz XUHYAOMLTAXYTL-UHFFFAOYSA-N 0 0 294.351 1.163 10 70 CDIERN COc1ccccc1N1CC[C@H](NC(=O)c2ccon2)C1 ZINC000161044097 188504480 /nfs/dbraw/zinc/50/44/80/188504480.db2.gz UZUGJGQNPQHRRI-NSHDSACASA-N 0 0 287.319 1.692 10 70 CDIERN Cc1[nH]nc(C(C)C)c1C(=O)NCCCn1cccn1 ZINC000159832880 363364334 /nfs/dbraw/zinc/36/43/34/363364334.db2.gz YVUVCEISTRAHOC-UHFFFAOYSA-N 0 0 275.356 1.858 10 70 CDIERN Cc1cc(C(=O)N[C@@H]2CCCC[C@@H]2CO)c(C)nn1 ZINC000218157228 538524989 /nfs/dbraw/zinc/52/49/89/538524989.db2.gz HAAQSWQXMWODHH-DGCLKSJQSA-N 0 0 263.341 1.374 10 70 CDIERN Cc1[nH]nc2ncc(NC(=O)[C@H]3CC[C@H](C)O3)cc12 ZINC000159659871 237155337 /nfs/dbraw/zinc/15/53/37/237155337.db2.gz LYERAWGFAVECLS-WRWORJQWSA-N 0 0 260.297 1.772 10 70 CDIERN CO[C@@H]1CCCN(C(=O)c2cnc3c(c2)ncn3C)C1 ZINC000160366369 237172332 /nfs/dbraw/zinc/17/23/32/237172332.db2.gz UBYAUSGRYWYLPL-LLVKDONJSA-N 0 0 274.324 1.219 10 70 CDIERN COc1ccc(CCCC(=O)NC2(CO)CC2)cc1 ZINC000160257732 363798211 /nfs/dbraw/zinc/79/82/11/363798211.db2.gz RSOJZSRILFSZEW-UHFFFAOYSA-N 0 0 263.337 1.659 10 70 CDIERN COc1cc(C(=O)NC2(CO)CC2)ccc1OC(F)F ZINC000160290330 363809457 /nfs/dbraw/zinc/80/94/57/363809457.db2.gz FIZXOJIVJAEQSC-UHFFFAOYSA-N 0 0 287.262 1.551 10 70 CDIERN O=C(NC1(CO)CC1)c1cnc(-c2ccccc2)nc1 ZINC000160337198 363823699 /nfs/dbraw/zinc/82/36/99/363823699.db2.gz YJAZSBJFXVZYDG-UHFFFAOYSA-N 0 0 269.304 1.398 10 70 CDIERN CC(C)C1CCC(CNC(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC000160646544 364117813 /nfs/dbraw/zinc/11/78/13/364117813.db2.gz OMQRCMICFSDDKI-MCIGGMRASA-N 0 0 295.383 1.163 10 70 CDIERN CC1(C)CN(C(=O)CCC2CC2)CCS1(=O)=O ZINC000160112102 364307627 /nfs/dbraw/zinc/30/76/27/364307627.db2.gz AMPZZRDVMDMFRS-UHFFFAOYSA-N 0 0 259.371 1.212 10 70 CDIERN C[C@@H](CO)N(C)C(=O)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000160560373 364374115 /nfs/dbraw/zinc/37/41/15/364374115.db2.gz NFALIDOBDWYYLL-GDPRMGEGSA-N 0 0 269.291 1.908 10 70 CDIERN CC1(CNC(=O)N2CCO[C@@H](c3cccs3)C2)COC1 ZINC000160424779 364350795 /nfs/dbraw/zinc/35/07/95/364350795.db2.gz PUMURRSMSUPVCB-LLVKDONJSA-N 0 0 296.392 1.868 10 70 CDIERN CCc1cccc(NC(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000161107972 364450023 /nfs/dbraw/zinc/45/00/23/364450023.db2.gz SKBPASBOIUXMHF-ZDUSSCGKSA-N 0 0 285.351 1.977 10 70 CDIERN CCc1cc(C(=O)N[C@H]2CCN(C(N)=O)C2)oc1CC ZINC000160441576 377063526 /nfs/dbraw/zinc/06/35/26/377063526.db2.gz MWUWXJJKPLQIKD-JTQLQIEISA-N 0 0 279.340 1.287 10 70 CDIERN Cc1nc(-c2cccc(NC(=O)NC3(CO)CC3)c2)no1 ZINC000161445636 377634615 /nfs/dbraw/zinc/63/46/15/377634615.db2.gz ZGYBTMYICRUNPX-UHFFFAOYSA-N 0 0 288.307 1.691 10 70 CDIERN CC(C)CCn1cccc1CN1CCC[C@H]1C(N)=O ZINC000160376401 391509616 /nfs/dbraw/zinc/50/96/16/391509616.db2.gz QDDBRLHRJHDHNF-AWEZNQCLSA-N 0 0 263.385 1.984 10 70 CDIERN Cn1cc(C[C@@H]2CCN(C(=O)[C@@H]3CC3(C)C)C2)cn1 ZINC000159833873 139907216 /nfs/dbraw/zinc/90/72/16/139907216.db2.gz UWVMVVORUZTCCB-AAEUAGOBSA-N 0 0 261.369 1.857 10 70 CDIERN CCn1nccc1CNc1cccc(S(=O)(=O)NC)c1 ZINC000160027438 147705775 /nfs/dbraw/zinc/70/57/75/147705775.db2.gz DAYRBVNIRNUKCV-UHFFFAOYSA-N 0 0 294.380 1.423 10 70 CDIERN CC(C)(C)CCNC(=O)CS(=O)(=O)C1CCOCC1 ZINC000160054212 147707256 /nfs/dbraw/zinc/70/72/56/147707256.db2.gz XZZPOWQNMBWKKX-UHFFFAOYSA-N 0 0 291.413 1.133 10 70 CDIERN C[C@H](C(=O)N(C)Cc1nccn1C)C1CCOCC1 ZINC000160161977 292779209 /nfs/dbraw/zinc/77/92/09/292779209.db2.gz PNXWNIZIIPEMMV-NSHDSACASA-N 0 0 265.357 1.441 10 70 CDIERN O=C(NC1(CO)CC1)c1ccc(NC(=O)C2CC2)cc1 ZINC000160229579 292781303 /nfs/dbraw/zinc/78/13/03/292781303.db2.gz DRJDMBPMCMSECN-UHFFFAOYSA-N 0 0 274.320 1.290 10 70 CDIERN Cn1cc(CCC(=O)NC2(CO)CC2)c2ccccc21 ZINC000160279769 292782484 /nfs/dbraw/zinc/78/24/84/292782484.db2.gz FBCYJEAUMQGOPN-UHFFFAOYSA-N 0 0 272.348 1.752 10 70 CDIERN C[C@H](Cc1ccc(O)cc1)N(C)C(=O)c1cn[nH]c1 ZINC000160548427 292789736 /nfs/dbraw/zinc/78/97/36/292789736.db2.gz YVNSRGUPDOJKOM-SNVBAGLBSA-N 0 0 259.309 1.819 10 70 CDIERN C[C@@H]1C[C@@H]1NC(=O)NCCc1nnc(-c2ccccc2)o1 ZINC000160061184 533737820 /nfs/dbraw/zinc/73/78/20/533737820.db2.gz MTVRYGFADRFLSM-PWSUYJOCSA-N 0 0 286.335 1.987 10 70 CDIERN Cn1cc(CC(=O)N2CCO[C@@H](c3cccs3)C2)cn1 ZINC000161281210 527179262 /nfs/dbraw/zinc/17/92/62/527179262.db2.gz WBODGPUZIFIQIA-GFCCVEGCSA-N 0 0 291.376 1.624 10 70 CDIERN CCC[C@@](C)(O)C(=O)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000159591979 361744610 /nfs/dbraw/zinc/74/46/10/361744610.db2.gz DERCWECKMZGKLW-GOEBONIOSA-N 0 0 293.363 1.843 10 70 CDIERN NC(=O)CN1C[C@H]2CCCCCN2c2ccccc21 ZINC000216790502 342044524 /nfs/dbraw/zinc/04/45/24/342044524.db2.gz AVHDQRQTDMRGMS-GFCCVEGCSA-N 0 0 259.353 1.741 10 70 CDIERN CN(C)c1ncccc1CNC(=O)[C@@H]1CCn2ccnc2C1 ZINC000159896472 361902094 /nfs/dbraw/zinc/90/20/94/361902094.db2.gz AYPTUJWSPMTXLE-GFCCVEGCSA-N 0 0 299.378 1.223 10 70 CDIERN C[C@H](Cc1ccc(O)cc1)N(C)C(=O)Cc1cc[nH]n1 ZINC000160490819 539116008 /nfs/dbraw/zinc/11/60/08/539116008.db2.gz CJRKHTKOCUWCDY-LLVKDONJSA-N 0 0 273.336 1.747 10 70 CDIERN CCN(CCc1nccs1)Cc1ncnn1C ZINC000159373209 362316153 /nfs/dbraw/zinc/31/61/53/362316153.db2.gz CUZDHHRDRVWMME-UHFFFAOYSA-N 0 0 251.359 1.336 10 70 CDIERN CCc1c(C(=O)NCc2cccs2)[nH]c(C)c1C(N)=O ZINC000159381602 362317914 /nfs/dbraw/zinc/31/79/14/362317914.db2.gz DAMLKPVUMSFZSN-UHFFFAOYSA-N 0 0 291.376 1.976 10 70 CDIERN C[C@@H](NC(=O)Cn1cnc2ccccc21)[C@H](C)CO ZINC000160323518 362413431 /nfs/dbraw/zinc/41/34/31/362413431.db2.gz AMYXQGMIJWJAJM-GHMZBOCLSA-N 0 0 261.325 1.169 10 70 CDIERN C[C@@H](CO)[C@@H](C)NC(=O)Cc1ccc2c(c1)CCC2 ZINC000160330562 362413573 /nfs/dbraw/zinc/41/35/73/362413573.db2.gz FMOULSXWHADNNM-NWDGAFQWSA-N 0 0 261.365 1.851 10 70 CDIERN C[C@H]1CCN(S(=O)(=O)c2c[nH]cn2)C[C@H](C)C1 ZINC000159665586 345255310 /nfs/dbraw/zinc/25/53/10/345255310.db2.gz LNYOKJHSTQLHHX-VHSXEESVSA-N 0 0 257.359 1.466 10 70 CDIERN COC(=O)CCNC(=O)[C@@]1(C)CCCc2ccccc21 ZINC000159582490 363016298 /nfs/dbraw/zinc/01/62/98/363016298.db2.gz QXVOHKNBUGELIY-INIZCTEOSA-N 0 0 275.348 1.960 10 70 CDIERN Cc1cc(NC(=O)[C@H]2CCCc3n[nH]cc32)c[nH]c1=O ZINC000159680185 363183291 /nfs/dbraw/zinc/18/32/91/363183291.db2.gz UDXQVGMWBSDCGL-JTQLQIEISA-N 0 0 272.308 1.465 10 70 CDIERN CN(Cc1ccco1)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000160987244 188502227 /nfs/dbraw/zinc/50/22/27/188502227.db2.gz AMFYFNLQYDJRQX-SNVBAGLBSA-N 0 0 275.312 1.028 10 70 CDIERN O=C(CCn1cnc2ccccc21)NC1(CO)CC1 ZINC000159858343 237161608 /nfs/dbraw/zinc/16/16/08/237161608.db2.gz GWKJUUAJGHUWSR-UHFFFAOYSA-N 0 0 259.309 1.068 10 70 CDIERN CCCC1(CNC(=O)NC[C@@H](C)N2CCOCC2)CCC1 ZINC000160231392 363777862 /nfs/dbraw/zinc/77/78/62/363777862.db2.gz NQACRKBOZILVJX-CQSZACIVSA-N 0 0 297.443 1.977 10 70 CDIERN COCC1CCN(c2nc(C)nc(OC)c2C)CC1 ZINC000159398159 361682926 /nfs/dbraw/zinc/68/29/26/361682926.db2.gz HMYURWPBAQWORN-UHFFFAOYSA-N 0 0 265.357 1.965 10 70 CDIERN CCc1nc(-c2ccc(C(=O)NC3(CO)CC3)cc2)n[nH]1 ZINC000160346488 363820466 /nfs/dbraw/zinc/82/04/66/363820466.db2.gz HYOIWAIARBWBKP-UHFFFAOYSA-N 0 0 286.335 1.289 10 70 CDIERN O=C(NC1(CO)CC1)c1ccc(OCC(F)(F)F)nc1 ZINC000160348297 363820976 /nfs/dbraw/zinc/82/09/76/363820976.db2.gz BAIYHYKAVDUZAL-UHFFFAOYSA-N 0 0 290.241 1.277 10 70 CDIERN O=C(NC1(CO)CC1)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000160341460 363823705 /nfs/dbraw/zinc/82/37/05/363823705.db2.gz PPJOBWRXILKPQX-ZJUUUORDSA-N 0 0 267.275 1.709 10 70 CDIERN Cc1cccc2[nH]c(CNC(=O)CCn3cccn3)nc21 ZINC000160429465 363859487 /nfs/dbraw/zinc/85/94/87/363859487.db2.gz LSHSCAPTHACMBM-UHFFFAOYSA-N 0 0 283.335 1.774 10 70 CDIERN Cc1cc(OCC(=O)N(CC(C)C)C2CC2)nn1C ZINC000159739792 364258771 /nfs/dbraw/zinc/25/87/71/364258771.db2.gz UQRAOKDBUULQEG-UHFFFAOYSA-N 0 0 265.357 1.754 10 70 CDIERN CC(=O)c1ccc(NC(=O)COc2cc(C)n(C)n2)cc1 ZINC000159751852 364261008 /nfs/dbraw/zinc/26/10/08/364261008.db2.gz BAPRFVSYLIEOFF-UHFFFAOYSA-N 0 0 287.319 1.949 10 70 CDIERN Cc1cc(OCC(=O)N(C)Cc2ccccc2)nn1C ZINC000159771018 364262540 /nfs/dbraw/zinc/26/25/40/364262540.db2.gz WCUNXDPGGAEDME-UHFFFAOYSA-N 0 0 273.336 1.766 10 70 CDIERN CCC[C@H](C(=O)NCc1ccc(C(N)=O)cc1)[NH+](C)C ZINC000160252344 364325990 /nfs/dbraw/zinc/32/59/90/364325990.db2.gz MUKHSMAKCGUIMT-CYBMUJFWSA-N 0 0 277.368 1.132 10 70 CDIERN C[C@H](C(=O)N[C@H]1CCc2ncnn2C1)c1cccs1 ZINC000159980024 364289631 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364470844 /nfs/dbraw/zinc/47/08/44/364470844.db2.gz HEOIIJPGGFGYDV-UHFFFAOYSA-N 0 0 279.369 1.973 10 70 CDIERN C[C@H](CO)CNC(=O)c1ccc(N2CCCC2)c(F)c1 ZINC000160480027 377070184 /nfs/dbraw/zinc/07/01/84/377070184.db2.gz VYFUQLCGLBHMRK-NSHDSACASA-N 0 0 280.343 1.784 10 70 CDIERN COC(=O)C1(N(C)C(=O)[C@@H](C)C2CCOCC2)CCCC1 ZINC000160541383 377084740 /nfs/dbraw/zinc/08/47/40/377084740.db2.gz VEMUMWJIHLJMJG-LBPRGKRZSA-N 0 0 297.395 1.993 10 70 CDIERN CO[C@@H](C)[C@@H](C)Nc1ccc(S(C)(=O)=O)cc1 ZINC000161146492 377159340 /nfs/dbraw/zinc/15/93/40/377159340.db2.gz TYJORZYUMZQLFC-ZJUUUORDSA-N 0 0 257.355 1.925 10 70 CDIERN Cc1ccn(-c2ccccc2CNC(=O)c2csnn2)n1 ZINC000161407205 377618327 /nfs/dbraw/zinc/61/83/27/377618327.db2.gz XEJIGMABZQNWIT-UHFFFAOYSA-N 0 0 299.359 1.962 10 70 CDIERN Cc1noc(NC(=O)CCc2cc3ccccc3[nH]c2=O)n1 ZINC000161457833 377651492 /nfs/dbraw/zinc/65/14/92/377651492.db2.gz CXLMPKCEHUVBBJ-UHFFFAOYSA-N 0 0 298.302 1.791 10 70 CDIERN COc1ccc(O[C@H](C)C(=O)NC2(CO)CC2)cc1 ZINC000160414277 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CCOC(=O)CNC(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000161062199 520787317 /nfs/dbraw/zinc/78/73/17/520787317.db2.gz FNVRZYVHMBUXGU-NEPJUHHUSA-N 0 0 253.342 1.882 10 70 CDIERN CCC[C@H](NC(N)=O)C(=O)N[C@H]1CCOC2(CCCC2)C1 ZINC000161285494 521152797 /nfs/dbraw/zinc/15/27/97/521152797.db2.gz HIRHIQAFRDJYMY-RYUDHWBXSA-N 0 0 297.399 1.431 10 70 CDIERN C[C@@H](CO)N(C)C(=O)C[C@H]1CCOc2ccccc21 ZINC000160454061 524780405 /nfs/dbraw/zinc/78/04/05/524780405.db2.gz FNLSYWVACFUFQQ-NWDGAFQWSA-N 0 0 263.337 1.782 10 70 CDIERN Cc1nn(C)cc1CNC(=O)N1CCC(C)CC1 ZINC000160793361 527692432 /nfs/dbraw/zinc/69/24/32/527692432.db2.gz ZXISMDXMMUOCLE-UHFFFAOYSA-N 0 0 250.346 1.670 10 70 CDIERN COc1nc(C)nc(N[C@@H](CCO)CSC)c1C ZINC000159404849 537133975 /nfs/dbraw/zinc/13/39/75/537133975.db2.gz ZLDSJGNICACJMO-JTQLQIEISA-N 0 0 271.386 1.628 10 70 CDIERN CC(=O)NCC(=O)N1CC=C(c2ccccc2F)CC1 ZINC000159625658 361756439 /nfs/dbraw/zinc/75/64/39/361756439.db2.gz WJUJNZPHJCDPCV-UHFFFAOYSA-N 0 0 276.311 1.578 10 70 CDIERN CCO[C@H](CCNC(=O)N1CCC[C@H]1C(=O)NC)C(C)C ZINC000159379208 539114097 /nfs/dbraw/zinc/11/40/97/539114097.db2.gz YMJOPSCKLBDKAN-QWHCGFSZSA-N 0 0 299.415 1.358 10 70 CDIERN C[C@@H]1CC[C@H](CCC(=O)N2CCC(OCCCO)CC2)O1 ZINC000160123060 539115402 /nfs/dbraw/zinc/11/54/02/539115402.db2.gz WPTRESLWPFOEKK-UKRRQHHQSA-N 0 0 299.411 1.724 10 70 CDIERN O=C([C@@H]1C[C@@H]1C1CC1)N1CCC(OCCCO)CC1 ZINC000160202510 539115630 /nfs/dbraw/zinc/11/56/30/539115630.db2.gz NVRHQEOURDZRAL-ZIAGYGMSSA-N 0 0 267.369 1.423 10 70 CDIERN COCCNC(=O)N[C@@H](C)c1ccccc1-n1cccn1 ZINC000160266642 362086806 /nfs/dbraw/zinc/08/68/06/362086806.db2.gz IZXRSSAAZBRSTR-LBPRGKRZSA-N 0 0 288.351 1.879 10 70 CDIERN COCCNC(=O)CNC(=O)C[C@H]1CCCC(C)(C)C1 ZINC000160860447 362189067 /nfs/dbraw/zinc/18/90/67/362189067.db2.gz AIRAQAIEXDRPJV-GFCCVEGCSA-N 0 0 284.400 1.472 10 70 CDIERN CNC(=O)[C@H]1CCCN1C(=O)NCC1(C(C)C)CC1 ZINC000159647133 529923623 /nfs/dbraw/zinc/92/36/23/529923623.db2.gz XZPWRYSAHNONQY-LLVKDONJSA-N 0 0 267.373 1.343 10 70 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1.789 10 70 CDIERN C[C@@H](NC(=O)c1cccc(-c2nc[nH]n2)c1)[C@H]1CCCO1 ZINC000160275551 364328155 /nfs/dbraw/zinc/32/81/55/364328155.db2.gz BOWVDWZHWYYMKK-ZWNOBZJWSA-N 0 0 286.335 1.769 10 70 CDIERN Cc1cc(C[C@H](C)NC(=O)CNC(=O)CC(C)(C)C)[nH]n1 ZINC000161071631 364443715 /nfs/dbraw/zinc/44/37/15/364443715.db2.gz ACDAVYGCZAZNFP-JTQLQIEISA-N 0 0 294.399 1.318 10 70 CDIERN Cc1oc(C(=O)NCCC2=CCCC2)cc1S(N)(=O)=O ZINC000161167860 364457772 /nfs/dbraw/zinc/45/77/72/364457772.db2.gz SZPVMARTFGEXBA-UHFFFAOYSA-N 0 0 298.364 1.466 10 70 CDIERN COc1ccccc1O[C@H](C)CNC(=O)C[C@@H](O)C(C)C ZINC000161197010 364462916 /nfs/dbraw/zinc/46/29/16/364462916.db2.gz PKCVZWYKPFKBEM-CHWSQXEVSA-N 0 0 295.379 1.986 10 70 CDIERN Cc1ccc(CN(C)C(=O)c2c(C)c(C)nn(C)c2=O)o1 ZINC000161221879 364465832 /nfs/dbraw/zinc/46/58/32/364465832.db2.gz AMDULGVWAFQLPZ-UHFFFAOYSA-N 0 0 289.335 1.571 10 70 CDIERN CCCN(CC(F)F)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000161257491 364469064 /nfs/dbraw/zinc/46/90/64/364469064.db2.gz 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525515687 /nfs/dbraw/zinc/51/56/87/525515687.db2.gz KRJLBVIHOARKDS-VBROQKIQSA-N 0 0 299.378 1.871 10 70 CDIERN Cc1noc([C@@H]2COCCN2CCOC(C)C)n1 ZINC000160861029 526657986 /nfs/dbraw/zinc/65/79/86/526657986.db2.gz FUKRVSBKULKZEN-NSHDSACASA-N 0 0 255.318 1.176 10 70 CDIERN CCC1(C(=O)NC2CCC(C(=O)NC(N)=O)CC2)CCC1 ZINC000160770254 528990524 /nfs/dbraw/zinc/99/05/24/528990524.db2.gz MDRLSQSVYHCDDG-UHFFFAOYSA-N 0 0 295.383 1.437 10 70 CDIERN CC[C@@H]1CCC[C@H]1NC(=O)N1CCC[C@@H]1C(=O)NC ZINC000159774026 529320686 /nfs/dbraw/zinc/32/06/86/529320686.db2.gz UQDBPCMBQYNSIN-IJLUTSLNSA-N 0 0 267.373 1.485 10 70 CDIERN Cc1cc(-n2cnnn2)ncc1NC(=O)Oc1ccccc1 ZINC000217650099 342091493 /nfs/dbraw/zinc/09/14/93/342091493.db2.gz FZAIDMPSMAYRNI-UHFFFAOYSA-N 0 0 296.290 1.977 10 70 CDIERN CCCOC(=O)[C@H](C)N1CCC[C@H](c2nncn2CC)C1 ZINC000160107388 362028426 /nfs/dbraw/zinc/02/84/26/362028426.db2.gz AQYUSLIFQYJPSG-STQMWFEESA-N 0 0 294.399 1.819 10 70 CDIERN C[C@H](CNC(=O)N1CCC2(CCC2)C1)N1CCOCC1 ZINC000160227263 362070882 /nfs/dbraw/zinc/07/08/82/362070882.db2.gz BSALPITUXZJOCY-CYBMUJFWSA-N 0 0 281.400 1.293 10 70 CDIERN O=C(N[C@H]1CCOC1)N1CCC[C@H](C(F)(F)F)C1 ZINC000159387448 362317824 /nfs/dbraw/zinc/31/78/24/362317824.db2.gz WCWCZOPOKPWCSX-IUCAKERBSA-N 0 0 266.263 1.759 10 70 CDIERN C[C@@H](NC(=O)Cc1ccc2c(c1)CCC2)[C@H](C)CO ZINC000160330682 362413316 /nfs/dbraw/zinc/41/33/16/362413316.db2.gz FMOULSXWHADNNM-VXGBXAGGSA-N 0 0 261.365 1.851 10 70 CDIERN C[C@@H](CO)[C@H](C)NC(=O)Cn1cnc2ccccc21 ZINC000160323601 362413359 /nfs/dbraw/zinc/41/33/59/362413359.db2.gz AMYXQGMIJWJAJM-QWRGUYRKSA-N 0 0 261.325 1.169 10 70 CDIERN CCn1nc(C)cc1C(=O)NCCc1cccnc1 ZINC000159563587 345218528 /nfs/dbraw/zinc/21/85/28/345218528.db2.gz LIFCZQGQTAOTNF-UHFFFAOYSA-N 0 0 258.325 1.579 10 70 CDIERN CC[C@@H](C)OCC(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000159997139 363562941 /nfs/dbraw/zinc/56/29/41/363562941.db2.gz FAAGQQDVMSYEHH-OLZOCXBDSA-N 0 0 256.390 1.744 10 70 CDIERN Cc1cccc(OCCC(=O)NC2(CO)CC2)c1C ZINC000159832317 237161259 /nfs/dbraw/zinc/16/12/59/237161259.db2.gz FKQBYISSYYHROB-UHFFFAOYSA-N 0 0 263.337 1.713 10 70 CDIERN O=C(NC1(CO)CC1)c1cc(=O)[nH]c2ccccc21 ZINC000159857499 237161592 /nfs/dbraw/zinc/16/15/92/237161592.db2.gz MFCGFYHIOBGLCH-UHFFFAOYSA-N 0 0 258.277 1.195 10 70 CDIERN CCC(CC)CS(=O)(=O)N[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000160199423 363751544 /nfs/dbraw/zinc/75/15/44/363751544.db2.gz BNECHNCFLJQYNN-NEPJUHHUSA-N 0 0 290.429 1.386 10 70 CDIERN CC1(C)CCC[C@@H](CC(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000160202080 363754760 /nfs/dbraw/zinc/75/47/60/363754760.db2.gz RAAAKMLEVMFYNC-RYUDHWBXSA-N 0 0 287.425 1.896 10 70 CDIERN COC(=O)c1cncc(N[C@H](C)[C@H]2CCOC2)n1 ZINC000159517440 361725210 /nfs/dbraw/zinc/72/52/10/361725210.db2.gz WPALMMSXQZFFDO-BDAKNGLRSA-N 0 0 251.286 1.100 10 70 CDIERN C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)[C@@H]1CCC(=O)NC1 ZINC000160447730 363868041 /nfs/dbraw/zinc/86/80/41/363868041.db2.gz FFEBWURCNSZNGJ-WCQYABFASA-N 0 0 290.363 1.308 10 70 CDIERN CC(C)OC(=O)c1ccn(CC(=O)NC(C)(C)C)c(=O)c1 ZINC000161019942 364437736 /nfs/dbraw/zinc/43/77/36/364437736.db2.gz GZKLODSBRSTTSC-UHFFFAOYSA-N 0 0 294.351 1.328 10 70 CDIERN C[C@@H](C[S@](=O)c1ccccc1)CS(C)(=O)=O ZINC000161032957 364439551 /nfs/dbraw/zinc/43/95/51/364439551.db2.gz HGLYNQJJSQZBSE-ZUZCIYMTSA-N 0 0 260.380 1.475 10 70 CDIERN Cc1cc(C[C@H](C)NC(=O)Cc2c(C)noc2C)[nH]n1 ZINC000161084051 364445260 /nfs/dbraw/zinc/44/52/60/364445260.db2.gz RBWNAXHAWZWMHV-QMMMGPOBSA-N 0 0 276.340 1.613 10 70 CDIERN C[C@@H](O)CCNC(=O)NCc1cn(C)nc1C(F)(F)F ZINC000160849220 364418829 /nfs/dbraw/zinc/41/88/29/364418829.db2.gz NRQSCFCMAASVEK-SSDOTTSWSA-N 0 0 294.277 1.009 10 70 CDIERN C[C@H]1C[C@H]1NC(=O)NCc1cn(C)nc1C(F)(F)F ZINC000160900529 364423555 /nfs/dbraw/zinc/42/35/55/364423555.db2.gz YXIFMDXFGKNKKT-POYBYMJQSA-N 0 0 276.262 1.647 10 70 CDIERN CN(C[C@H]1CCCOC1)C(=O)c1cnc2c(c1)ncn2C ZINC000160430490 369334099 /nfs/dbraw/zinc/33/40/99/369334099.db2.gz BMRIFJVIHHEPLI-LLVKDONJSA-N 0 0 288.351 1.467 10 70 CDIERN O=C(N[C@H]1CCc2ncnn2C1)N1CCc2ccccc21 ZINC000161117019 284240619 /nfs/dbraw/zinc/24/06/19/284240619.db2.gz KXKMQKMJNQJNFY-LBPRGKRZSA-N 0 0 283.335 1.365 10 70 CDIERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@@H](C)SC ZINC000160133330 377048101 /nfs/dbraw/zinc/04/81/01/377048101.db2.gz VTXZTUHFWYBPPR-NXEZZACHSA-N 0 0 297.428 1.726 10 70 CDIERN CC(C)C[C@H](CO)NC(=O)[C@@H](C)C1CCOCC1 ZINC000160969094 377138245 /nfs/dbraw/zinc/13/82/45/377138245.db2.gz LOLFZSRONDCEJO-WCQYABFASA-N 0 0 257.374 1.572 10 70 CDIERN C[C@H](CO)[C@H](C)NC(=O)N[C@@H](C)[C@@H]1COc2ccccc21 ZINC000161455105 377226127 /nfs/dbraw/zinc/22/61/27/377226127.db2.gz SQFQXPUVIGXVSK-UHXUPSOCSA-N 0 0 292.379 1.867 10 70 CDIERN C[C@@H]1CN(c2ccc(C(F)(F)F)nn2)CCS1(=O)=O ZINC000159901304 390976969 /nfs/dbraw/zinc/97/69/69/390976969.db2.gz MTYMFAFMXPWGHI-SSDOTTSWSA-N 0 0 295.286 1.119 10 70 CDIERN C[C@H]1C(=O)NCCN1c1ccnc2c(F)cc(F)cc12 ZINC000159844590 278320355 /nfs/dbraw/zinc/32/03/55/278320355.db2.gz JCAIZNRKHKKTQB-QMMMGPOBSA-N 0 0 277.274 1.838 10 70 CDIERN Cc1c(Cl)cccc1OCC(=O)NC1(CO)CC1 ZINC000160214750 292780571 /nfs/dbraw/zinc/78/05/71/292780571.db2.gz AINDOWDISRIZHF-UHFFFAOYSA-N 0 0 269.728 1.668 10 70 CDIERN O=C(NC1(CO)CC1)c1ccc(Cn2cccn2)cc1 ZINC000160214166 292780633 /nfs/dbraw/zinc/78/06/33/292780633.db2.gz SHJCOQGIVOGQOE-UHFFFAOYSA-N 0 0 271.320 1.186 10 70 CDIERN COCCCCNC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160732280 523162776 /nfs/dbraw/zinc/16/27/76/523162776.db2.gz YVCLCMJFKPQUQI-UKRRQHHQSA-N 0 0 284.400 1.750 10 70 CDIERN O=C(Cc1cc[nH]n1)N1CC[C@H](Oc2cccnc2)C1 ZINC000161370190 527305481 /nfs/dbraw/zinc/30/54/81/527305481.db2.gz CETGUOJLDVLXGC-ZDUSSCGKSA-N 0 0 272.308 1.027 10 70 CDIERN OCC(CO)Nc1ccnc2c(F)cc(F)cc12 ZINC000159664324 361765228 /nfs/dbraw/zinc/76/52/28/361765228.db2.gz HHXDMSLLOXPKKN-UHFFFAOYSA-N 0 0 254.236 1.278 10 70 CDIERN CC(C)Oc1ncc(C(=O)NC2(CO)CC2)cc1Cl ZINC000160282896 539115677 /nfs/dbraw/zinc/11/56/77/539115677.db2.gz FRLNJPYIAWCTQA-UHFFFAOYSA-N 0 0 284.743 1.777 10 70 CDIERN CS(=O)(=O)CCCCS(=O)(=O)c1cccc(F)c1 ZINC000160325592 539115795 /nfs/dbraw/zinc/11/57/95/539115795.db2.gz JPYUEKFYGFGBQD-UHFFFAOYSA-N 0 0 294.369 1.424 10 70 CDIERN CCN1CCO[C@H](CNc2nc3ccccc3[nH]2)C1 ZINC000161084062 539117213 /nfs/dbraw/zinc/11/72/13/539117213.db2.gz VAABBCFCNNLRLV-LLVKDONJSA-N 0 0 260.341 1.696 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)N[C@H](COC)C(C)C ZINC000160779344 362168492 /nfs/dbraw/zinc/16/84/92/362168492.db2.gz LEHZNWKTPVVOFK-LLVKDONJSA-N 0 0 297.355 1.271 10 70 CDIERN CSCCNC(=O)c1cc(Cn2cc(C)cn2)on1 ZINC000159455904 345028199 /nfs/dbraw/zinc/02/81/99/345028199.db2.gz DDZRDWOVYORWPP-UHFFFAOYSA-N 0 0 280.353 1.321 10 70 CDIERN COc1cccc([S@](=O)C[C@H](C)CS(C)(=O)=O)c1 ZINC000161060726 362536490 /nfs/dbraw/zinc/53/64/90/362536490.db2.gz LSCXQINVBXOOTH-BTDLBPIBSA-N 0 0 290.406 1.484 10 70 CDIERN CNc1ccc(C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)cn1 ZINC000160904585 362540514 /nfs/dbraw/zinc/54/05/14/362540514.db2.gz BDKMPFRLRYFJEU-CJNGLKHVSA-N 0 0 289.379 1.891 10 70 CDIERN CCc1cccc(NC(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000161107859 188508615 /nfs/dbraw/zinc/50/86/15/188508615.db2.gz SKBPASBOIUXMHF-CYBMUJFWSA-N 0 0 285.351 1.977 10 70 CDIERN O=C(CNC(=O)c1cccnc1)Nc1cc(Cl)ccn1 ZINC000161169955 358790064 /nfs/dbraw/zinc/79/00/64/358790064.db2.gz GGBXCLQARBKQMG-UHFFFAOYSA-N 0 0 290.710 1.499 10 70 CDIERN Cc1c(C(=O)NC2(CO)CC2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000160440869 363863778 /nfs/dbraw/zinc/86/37/78/363863778.db2.gz PVOZHHKIJDEKHE-UHFFFAOYSA-N 0 0 290.363 1.733 10 70 CDIERN O=C(c1ccc(CO)cc1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160369346 364089046 /nfs/dbraw/zinc/08/90/46/364089046.db2.gz OKWKCBVCCBHFGJ-WBVHZDCISA-N 0 0 289.375 1.946 10 70 CDIERN Cc1ccc(N2C[C@@H](C(=O)N(C)[C@H](C)CO)CC2=O)cc1 ZINC000160541834 364369038 /nfs/dbraw/zinc/36/90/38/364369038.db2.gz RESCTSPELZIIQK-OLZOCXBDSA-N 0 0 290.363 1.187 10 70 CDIERN Cc1cc(C[C@@H](C)NC(=O)CCCNC(=O)C2CC2)[nH]n1 ZINC000161108689 364449469 /nfs/dbraw/zinc/44/94/69/364449469.db2.gz YFQLBVVSKFQGEJ-SNVBAGLBSA-N 0 0 292.383 1.072 10 70 CDIERN COC(C)(C)C[C@@H](C)NC(=O)CNC(=O)c1cccnc1 ZINC000160901392 364423261 /nfs/dbraw/zinc/42/32/61/364423261.db2.gz AJFWLKMAGQEWLD-LLVKDONJSA-N 0 0 293.367 1.131 10 70 CDIERN CCC[C@@H](NC(=O)c1cnn(C)c1C)C(=O)OC(C)(C)C ZINC000161418026 364490394 /nfs/dbraw/zinc/49/03/94/364490394.db2.gz XNRIKIBFQLFGNP-GFCCVEGCSA-N 0 0 295.383 1.969 10 70 CDIERN Cc1ccc([S@@](=O)C[C@H](C)CS(C)(=O)=O)nc1 ZINC000161068636 377129421 /nfs/dbraw/zinc/12/94/21/377129421.db2.gz FRJFINMJPZTSBW-MGPLVRAMSA-N 0 0 275.395 1.178 10 70 CDIERN COCCc1cc(NC(=O)[C@H](C)C2CCOCC2)n(C)n1 ZINC000160093771 139909782 /nfs/dbraw/zinc/90/97/82/139909782.db2.gz HYUNMGIUUOCVLZ-LLVKDONJSA-N 0 0 295.383 1.610 10 70 CDIERN O=C([C@@H]1CCn2ccnc2C1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000160135296 280101911 /nfs/dbraw/zinc/10/19/11/280101911.db2.gz OJHUZISTOBPHHB-RDBSUJKOSA-N 0 0 289.379 1.616 10 70 CDIERN C[C@H](NC(N)=O)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000159986363 289933553 /nfs/dbraw/zinc/93/35/53/289933553.db2.gz LYSRAVOBMBRSSJ-ONGXEEELSA-N 0 0 291.351 1.462 10 70 CDIERN NC(=O)[C@@H]1CCC[C@H](NS(=O)(=O)Cc2ccccc2)C1 ZINC000160203116 292779833 /nfs/dbraw/zinc/77/98/33/292779833.db2.gz KJLXMBOFPPALBE-OLZOCXBDSA-N 0 0 296.392 1.150 10 70 CDIERN Cc1c(C(=O)NC2(CO)CC2)cnn1-c1ccccc1 ZINC000160293468 292782813 /nfs/dbraw/zinc/78/28/13/292782813.db2.gz RLDMCBFLODBXNT-UHFFFAOYSA-N 0 0 271.320 1.435 10 70 CDIERN CSC1(CNC(=O)C[C@@H](O)C(C)C)CCOCC1 ZINC000160981536 292797465 /nfs/dbraw/zinc/79/74/65/292797465.db2.gz GRWIQQMZMUBJHW-LLVKDONJSA-N 0 0 275.414 1.422 10 70 CDIERN CC(C)[C@@H](C)NC(=O)N1CCCN(c2cccnn2)CC1 ZINC000160883208 519791910 /nfs/dbraw/zinc/79/19/10/519791910.db2.gz KOJNLICGEZGHKW-CYBMUJFWSA-N 0 0 291.399 1.743 10 70 CDIERN Cc1ccn(-c2ccccc2NC(=O)[C@H](C)NC(N)=O)n1 ZINC000161209607 525568579 /nfs/dbraw/zinc/56/85/79/525568579.db2.gz NCVXSCWAWVEWLT-JTQLQIEISA-N 0 0 287.323 1.176 10 70 CDIERN NC(=O)c1ccc(N2CC[C@@]3(O)CCCC[C@@H]3C2)nc1 ZINC000160666819 527057805 /nfs/dbraw/zinc/05/78/05/527057805.db2.gz FCHQSXOWENPBFJ-DOMZBBRYSA-N 0 0 275.352 1.312 10 70 CDIERN CCOC(=O)C[C@@H](C)NC(=O)c1ccc(COC)o1 ZINC000160268790 362088296 /nfs/dbraw/zinc/08/82/96/362088296.db2.gz SCXUQVTVTPNRAN-SECBINFHSA-N 0 0 269.297 1.498 10 70 CDIERN C[C@@H]1[C@H](C)SCCN1C(=O)c1cnc2c(c1)ncn2C ZINC000159865940 362546226 /nfs/dbraw/zinc/54/62/26/362546226.db2.gz HJOCBMOMRVJKFB-ZJUUUORDSA-N 0 0 290.392 1.934 10 70 CDIERN C[C@@H](CSCc1nc(C2CC2)no1)CS(C)(=O)=O ZINC000159719572 363215205 /nfs/dbraw/zinc/21/52/05/363215205.db2.gz RVIIKXPRDLYXRG-QMMMGPOBSA-N 0 0 290.410 1.861 10 70 CDIERN CC(C)[C@@H](O)CC(=O)NCc1nc2ccccc2[nH]1 ZINC000159712601 363220260 /nfs/dbraw/zinc/22/02/60/363220260.db2.gz OLNDMUFMIJYUQB-LBPRGKRZSA-N 0 0 261.325 1.586 10 70 CDIERN COCCCS(=O)(=O)Oc1ccc(-n2cccn2)cc1 ZINC000159464790 188427618 /nfs/dbraw/zinc/42/76/18/188427618.db2.gz ZKEZVNOSVXBDJT-UHFFFAOYSA-N 0 0 296.348 1.617 10 70 CDIERN C/C=C/c1ccc(OCC(=O)N2CC(O)C2)c(OC)c1 ZINC000161481407 188530167 /nfs/dbraw/zinc/53/01/67/188530167.db2.gz QJFUFLCYLLIYLG-ONEGZZNKSA-N 0 0 277.320 1.310 10 70 CDIERN CN(C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)[C@@H]1CCOC1 ZINC000160903655 358778544 /nfs/dbraw/zinc/77/85/44/358778544.db2.gz JXBUHBGMXYMXIZ-XQHKEYJVSA-N 0 0 280.368 1.374 10 70 CDIERN COc1cccc(CO[C@H](C)C(=O)NC2(CO)CC2)c1 ZINC000160220999 363774317 /nfs/dbraw/zinc/77/43/17/363774317.db2.gz RPRVXYNSVQDSJY-LLVKDONJSA-N 0 0 279.336 1.241 10 70 CDIERN O=C(NCC1(C2CC2)CCC1)N[C@H]1CCCn2ncnc21 ZINC000159537335 361731515 /nfs/dbraw/zinc/73/15/15/361731515.db2.gz ZYOXVYSJWLKIDV-LBPRGKRZSA-N 0 0 289.383 1.993 10 70 CDIERN Cc1cccc2[nH]c(CNC(=O)[C@H]3CCCOC3)nc21 ZINC000160438895 363863131 /nfs/dbraw/zinc/86/31/31/363863131.db2.gz WIXNXVRSADBLFO-NSHDSACASA-N 0 0 273.336 1.914 10 70 CDIERN Cc1c(C(=O)N2CCN(C3CC3)CC2)cnn1CC(C)C ZINC000159669422 364250044 /nfs/dbraw/zinc/25/00/44/364250044.db2.gz FLHUZADQFFLFLC-UHFFFAOYSA-N 0 0 290.411 1.768 10 70 CDIERN C[C@@H](O)C1CCN(C(=O)[C@@H]2OCCc3ccccc32)CC1 ZINC000160439432 364354417 /nfs/dbraw/zinc/35/44/17/364354417.db2.gz SEHWDHODMCSZKO-MLGOLLRUSA-N 0 0 289.375 1.920 10 70 CDIERN CCC[C@@H](C(=O)NC[C@@H](c1ccco1)N(C)C)[NH+](C)C ZINC000161225397 364465440 /nfs/dbraw/zinc/46/54/40/364465440.db2.gz RPMUPZWKNNCZSA-STQMWFEESA-N 0 0 281.400 1.729 10 70 CDIERN CC(=O)[C@H](NC(=O)Cn1cnc2c1CCCC2)C(C)C ZINC000216885797 140164088 /nfs/dbraw/zinc/16/40/88/140164088.db2.gz JDMDWMOTXJCEAY-OAHLLOKOSA-N 0 0 277.368 1.492 10 70 CDIERN C[C@@H](NC(=O)[C@@H]1CCC(=O)N1)c1ccccc1-n1cccn1 ZINC000159561955 292761853 /nfs/dbraw/zinc/76/18/53/292761853.db2.gz GZTSBWYRXYFGFD-YPMHNXCESA-N 0 0 298.346 1.328 10 70 CDIERN COC(=O)[C@@H](C)N[C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159818701 292770500 /nfs/dbraw/zinc/77/05/00/292770500.db2.gz CJIWNCXCOBQQSU-GHMZBOCLSA-N 0 0 274.324 1.479 10 70 CDIERN O=C(Cc1ccc(-n2cccn2)cc1)NC1(CO)CC1 ZINC000160221316 292780707 /nfs/dbraw/zinc/78/07/07/292780707.db2.gz AWANGOFPKFNFBO-UHFFFAOYSA-N 0 0 271.320 1.056 10 70 CDIERN C[C@H](C[S@@](=O)c1ccc(O)cc1)CS(C)(=O)=O ZINC000161064746 292799278 /nfs/dbraw/zinc/79/92/78/292799278.db2.gz VUOUGNRHJQIRDC-ABKXIKBNSA-N 0 0 276.379 1.181 10 70 CDIERN C[C@@H](C(=O)NCc1ncccc1F)C1CCOCC1 ZINC000161326674 292804520 /nfs/dbraw/zinc/80/45/20/292804520.db2.gz LCUZCCNHOWDIQL-SNVBAGLBSA-N 0 0 266.316 1.900 10 70 CDIERN COC(=O)c1cncc(N2CC[C@@]3(O)CCCC[C@@H]3C2)n1 ZINC000160727846 522344737 /nfs/dbraw/zinc/34/47/37/522344737.db2.gz ZAIPUMCSKVCJJF-ABAIWWIYSA-N 0 0 291.351 1.395 10 70 CDIERN COC(=O)[C@@H]1C[C@@H]1C(=O)Nc1ccccc1-n1ccc(C)n1 ZINC000161394654 523783536 /nfs/dbraw/zinc/78/35/36/523783536.db2.gz QRPOCVSZTWCWDE-NWDGAFQWSA-N 0 0 299.330 1.928 10 70 CDIERN CSCCCCNC(=O)NC[C@@](C)(O)CSC ZINC000160387588 525432781 /nfs/dbraw/zinc/43/27/81/525432781.db2.gz CLSJWBQHAKSXOK-LLVKDONJSA-N 0 0 280.459 1.543 10 70 CDIERN Cc1ccn(-c2ccccc2NC(=O)C(=O)NC2CC2)n1 ZINC000161295367 525561203 /nfs/dbraw/zinc/56/12/03/525561203.db2.gz QUJLAWXYYWKFFM-UHFFFAOYSA-N 0 0 284.319 1.398 10 70 CDIERN Cc1conc1NC(=O)C(=O)N[C@@H]1COc2ccccc21 ZINC000160891294 526298414 /nfs/dbraw/zinc/29/84/14/526298414.db2.gz PCJLZVWBNHIGPB-SNVBAGLBSA-N 0 0 287.275 1.171 10 70 CDIERN Cc1noc([C@H]2COCCN2Cc2ccc(CO)cc2)n1 ZINC000161128924 526673254 /nfs/dbraw/zinc/67/32/54/526673254.db2.gz QOWMICQTUKHDHA-CQSZACIVSA-N 0 0 289.335 1.444 10 70 CDIERN CC[C@@H](NS(=O)(=O)C[C@H]1CCOC1)c1nccs1 ZINC000159932885 361950265 /nfs/dbraw/zinc/95/02/65/361950265.db2.gz MQKBKCPZIYYQEI-VHSXEESVSA-N 0 0 290.410 1.550 10 70 CDIERN C[C@H](Cc1ccc(O)cc1)N(C)C(=O)c1cc[nH]c(=O)c1 ZINC000160531854 539115992 /nfs/dbraw/zinc/11/59/92/539115992.db2.gz OHZSHFLXBGENGD-LLVKDONJSA-N 0 0 286.331 1.784 10 70 CDIERN CCCCNC(=O)N1CCCC[C@H]1[C@H]1CNC(=O)C1 ZINC000160679245 539116247 /nfs/dbraw/zinc/11/62/47/539116247.db2.gz RFINARPCBIBJPA-NEPJUHHUSA-N 0 0 267.373 1.487 10 70 CDIERN CCN(CCO)Cc1nnc(-c2ccccc2)n1C ZINC000160778459 362167765 /nfs/dbraw/zinc/16/77/65/362167765.db2.gz RKRKSEKZRQRHRN-UHFFFAOYSA-N 0 0 260.341 1.296 10 70 CDIERN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NC1CCCC1 ZINC000159963960 362382589 /nfs/dbraw/zinc/38/25/89/362382589.db2.gz NGHCTRDKOPKDLH-ZOWXZIJZSA-N 0 0 266.385 1.578 10 70 CDIERN COC(=O)c1csc(NC(=O)NCc2ccnn2C)c1 ZINC000160987730 362424658 /nfs/dbraw/zinc/42/46/58/362424658.db2.gz OGOAZWLLNKXFNM-UHFFFAOYSA-N 0 0 294.336 1.590 10 70 CDIERN CCc1nnc(CN[C@@H](C)c2ccc3c(c2)OCO3)[nH]1 ZINC000160285828 362407388 /nfs/dbraw/zinc/40/73/88/362407388.db2.gz KRZUANUTVXLSHN-VIFPVBQESA-N 0 0 274.324 1.947 10 70 CDIERN CN(Cc1noc(C2CCCCC2)n1)S(C)(=O)=O ZINC000160837281 530032414 /nfs/dbraw/zinc/03/24/14/530032414.db2.gz MBHZUXQGZNCUIJ-UHFFFAOYSA-N 0 0 273.358 1.509 10 70 CDIERN Cc1ccc([C@H](C)CNS(=O)(=O)c2cnn(C)c2)cc1 ZINC000159692437 345257130 /nfs/dbraw/zinc/25/71/30/345257130.db2.gz IUKJSGBCHGKIGS-GFCCVEGCSA-N 0 0 293.392 1.811 10 70 CDIERN CNC(=O)c1ccc(N[C@@H](CO)CC(C)(C)C)nn1 ZINC000161469359 363048841 /nfs/dbraw/zinc/04/88/41/363048841.db2.gz HJCFBVCFTASTGQ-SECBINFHSA-N 0 0 266.345 1.045 10 70 CDIERN COc1ccc2c(c1)[nH]cc(C(=O)NC[C@H](C)CO)c2=O ZINC000159595896 188433610 /nfs/dbraw/zinc/43/36/10/188433610.db2.gz RLXJVPTZZSCWIT-VIFPVBQESA-N 0 0 290.319 1.307 10 70 CDIERN COc1ccc(-c2noc(C[C@H](O)C(C)C)n2)cn1 ZINC000161011136 188502867 /nfs/dbraw/zinc/50/28/67/188502867.db2.gz DHODGJZJLUPINA-JTQLQIEISA-N 0 0 263.297 1.700 10 70 CDIERN COCc1ccc(C(=O)N(CC(N)=O)CC(C)C)o1 ZINC000159758310 363279905 /nfs/dbraw/zinc/27/99/05/363279905.db2.gz YRDXDRDQGWAROK-UHFFFAOYSA-N 0 0 268.313 1.010 10 70 CDIERN Cc1cc(C(=O)N2CCC([C@@H](C)O)CC2)c(C)nn1 ZINC000218152704 538525214 /nfs/dbraw/zinc/52/52/14/538525214.db2.gz BNWIMEOYLKPBPX-LLVKDONJSA-N 0 0 263.341 1.326 10 70 CDIERN C[C@H](O)c1cc2n(n1)CCN(Cc1cccnc1)C2 ZINC000218565351 359057945 /nfs/dbraw/zinc/05/79/45/359057945.db2.gz VYNDDBUAHIFAJG-NSHDSACASA-N 0 0 258.325 1.347 10 70 CDIERN Cc1cc(C)cc(OCC(=O)N[C@H](C)[C@@H](C)CO)c1 ZINC000160343111 363819335 /nfs/dbraw/zinc/81/93/35/363819335.db2.gz YRKYKWNKMHUZTH-QWHCGFSZSA-N 0 0 265.353 1.815 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)NC[C@H](O)[C@H](C)CC ZINC000160596001 364076555 /nfs/dbraw/zinc/07/65/55/364076555.db2.gz GKBMCIIFSWXHCT-KCJUWKMLSA-N 0 0 297.355 1.007 10 70 CDIERN Cc1nc(CN2CCOC[C@H]2C[C@H](O)c2ccco2)no1 ZINC000159493212 364218423 /nfs/dbraw/zinc/21/84/23/364218423.db2.gz JINMKIJXQIGEGU-NEPJUHHUSA-N 0 0 293.323 1.296 10 70 CDIERN Cc1cc(OCC(=O)NCCOCCC(C)C)nn1C ZINC000159743928 364260956 /nfs/dbraw/zinc/26/09/56/364260956.db2.gz OJIJTUFVKXBWSO-UHFFFAOYSA-N 0 0 283.372 1.286 10 70 CDIERN O=S(=O)(Cc1ccc(F)cc1)C1CCOCC1 ZINC000160062163 364300018 /nfs/dbraw/zinc/30/00/18/364300018.db2.gz IAQAXJFPKCSOJW-UHFFFAOYSA-N 0 0 258.314 1.920 10 70 CDIERN CC1(C)CN(C(=O)Cc2cccs2)CCS1(=O)=O ZINC000160090296 364304571 /nfs/dbraw/zinc/30/45/71/364304571.db2.gz ZTACGYJBZURJLG-UHFFFAOYSA-N 0 0 287.406 1.326 10 70 CDIERN CCc1ncc(NC(=O)NC[C@H]2CCCC[C@H]2O)cn1 ZINC000161212919 364463260 /nfs/dbraw/zinc/46/32/60/364463260.db2.gz OBGWMWMZHSUDIF-ZYHUDNBSSA-N 0 0 278.356 1.712 10 70 CDIERN COC(=O)[C@@H]1COCCN1C(=O)C1CCC(F)(F)CC1 ZINC000160815809 291483715 /nfs/dbraw/zinc/48/37/15/291483715.db2.gz VIAVHXONCRJPND-JTQLQIEISA-N 0 0 291.294 1.212 10 70 CDIERN O=C(N[C@H]1CCc2ncnn2C1)N1Cc2ccccc2C1 ZINC000161198333 284240705 /nfs/dbraw/zinc/24/07/05/284240705.db2.gz TVYZENSWKBWTRH-ZDUSSCGKSA-N 0 0 283.335 1.318 10 70 CDIERN CCc1ccc(CC(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)cc1 ZINC000160943780 377138376 /nfs/dbraw/zinc/13/83/76/377138376.db2.gz ULJYKILLARSUFH-SWLSCSKDSA-N 0 0 288.391 1.904 10 70 CDIERN C[C@H](c1cnn(C)c1)N(C)C(=O)c1cnc2c(c1)ncn2C ZINC000161119554 377156394 /nfs/dbraw/zinc/15/63/94/377156394.db2.gz STWSSIBPBUQPNS-SNVBAGLBSA-N 0 0 298.350 1.535 10 70 CDIERN CCc1cccc(CC(=O)N[C@@H]2CCCC[C@H]2C(N)=O)c1 ZINC000161281757 377202694 /nfs/dbraw/zinc/20/26/94/377202694.db2.gz QRRHOTAZSKVFMW-HUUCEWRRSA-N 0 0 288.391 1.952 10 70 CDIERN COc1ccccc1C(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000160166782 377660157 /nfs/dbraw/zinc/66/01/57/377660157.db2.gz OELGVWXBWSXUEF-UHFFFAOYSA-N 0 0 297.376 1.344 10 70 CDIERN C[C@@H](C(=O)N(C)CC(=O)NC(C)(C)C)C1CCOCC1 ZINC000160746706 147723870 /nfs/dbraw/zinc/72/38/70/147723870.db2.gz QSSZHGVLPCOZJT-LLVKDONJSA-N 0 0 284.400 1.422 10 70 CDIERN COCC(C)(C)C(=O)NCc1nnc2ccccn21 ZINC000159556454 292761849 /nfs/dbraw/zinc/76/18/49/292761849.db2.gz NRCILWJZXONATI-UHFFFAOYSA-N 0 0 262.313 1.018 10 70 CDIERN C[C@H](COc1ccccc1)C(=O)N(C)CC(=O)NC1CC1 ZINC000159772753 292768688 /nfs/dbraw/zinc/76/86/88/292768688.db2.gz HDYXYEKOAOPXGV-GFCCVEGCSA-N 0 0 290.363 1.439 10 70 CDIERN O=C(CS(=O)(=O)C1CCOCC1)NC1CCCCC1 ZINC000160030125 292776501 /nfs/dbraw/zinc/77/65/01/292776501.db2.gz MCYHHMZISCZPNK-UHFFFAOYSA-N 0 0 289.397 1.029 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)N(C)[C@@H](C)C1CC1 ZINC000160201301 292779817 /nfs/dbraw/zinc/77/98/17/292779817.db2.gz KFJVSCWBCQDKGI-QMMMGPOBSA-N 0 0 279.340 1.741 10 70 CDIERN O=C(Cc1ccc(OC(F)(F)F)cc1)NC1(CO)CC1 ZINC000160219135 292780673 /nfs/dbraw/zinc/78/06/73/292780673.db2.gz ZKTYGDBZICSESI-UHFFFAOYSA-N 0 0 289.253 1.769 10 70 CDIERN CC(=O)c1cccc(O[C@@H](C)C(=O)NC2(CO)CC2)c1 ZINC000160288340 292782546 /nfs/dbraw/zinc/78/25/46/292782546.db2.gz WHUDRKORHWGGSW-NSHDSACASA-N 0 0 277.320 1.298 10 70 CDIERN C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)NC2(CO)CC2)cc1 ZINC000160313680 292783871 /nfs/dbraw/zinc/78/38/71/292783871.db2.gz OZTCLKVFYXSBKA-GXFFZTMASA-N 0 0 288.347 1.536 10 70 CDIERN CC(C)c1noc(CCCNC(=O)Nc2cnn(C)c2)n1 ZINC000161186555 292801817 /nfs/dbraw/zinc/80/18/17/292801817.db2.gz YRCUBAHASYVRFC-UHFFFAOYSA-N 0 0 292.343 1.681 10 70 CDIERN NC(=O)NC(=O)C1CCC(NC(=O)CCC2CCC2)CC1 ZINC000160871846 534381084 /nfs/dbraw/zinc/38/10/84/534381084.db2.gz BJIFSJGKWJZWNR-UHFFFAOYSA-N 0 0 295.383 1.437 10 70 CDIERN CCCC[C@H](NC(=O)COC)C(=O)OC(C)(C)C ZINC000161229514 521217684 /nfs/dbraw/zinc/21/76/84/521217684.db2.gz LNTPJEJHSFYEFW-JTQLQIEISA-N 0 0 259.346 1.650 10 70 CDIERN Cc1ccn(-c2ccccc2NC(=O)[C@H]2CC(=O)N(C)C2)n1 ZINC000161411436 525568339 /nfs/dbraw/zinc/56/83/39/525568339.db2.gz ZXKZCFBAOMFSFI-LBPRGKRZSA-N 0 0 298.346 1.598 10 70 CDIERN Cc1noc([C@@H]2COCCN2Cc2cn3ccccc3n2)n1 ZINC000161089802 526657734 /nfs/dbraw/zinc/65/77/34/526657734.db2.gz QYVIABXWPISUHG-ZDUSSCGKSA-N 0 0 299.334 1.599 10 70 CDIERN O=C(c1cn[nH]c1)N1CC[C@H](Oc2cccnc2)C1 ZINC000161364549 526868563 /nfs/dbraw/zinc/86/85/63/526868563.db2.gz KNHWQBPOAHRZMX-LBPRGKRZSA-N 0 0 258.281 1.098 10 70 CDIERN O=C(NC1(CO)CC1)c1nn(-c2ccccc2)c2c1CCC2 ZINC000160362384 342482906 /nfs/dbraw/zinc/48/29/06/342482906.db2.gz KXJGSGFIGXRYAB-UHFFFAOYSA-N 0 0 297.358 1.616 10 70 CDIERN Cc1noc2nc(C)cc(C(=O)NC3(CO)CC3)c12 ZINC000159845914 539114783 /nfs/dbraw/zinc/11/47/83/539114783.db2.gz KWQYABQYWCFMHW-UHFFFAOYSA-N 0 0 261.281 1.094 10 70 CDIERN CCCCNC(=O)N1CCCC[C@H]1[C@@H]1CNC(=O)C1 ZINC000160679464 539116271 /nfs/dbraw/zinc/11/62/71/539116271.db2.gz RFINARPCBIBJPA-RYUDHWBXSA-N 0 0 267.373 1.487 10 70 CDIERN C[C@@H](Oc1cccc(CO)c1)C(=O)NCC(C)(C)CO ZINC000161497619 539117899 /nfs/dbraw/zinc/11/78/99/539117899.db2.gz SLJRPPPMDWMHRN-LLVKDONJSA-N 0 0 281.352 1.081 10 70 CDIERN CCc1cc(C(=O)NCCn2cnnc2C)oc1CC ZINC000161321617 529517418 /nfs/dbraw/zinc/51/74/18/529517418.db2.gz ISJIANCUVDBPFA-UHFFFAOYSA-N 0 0 276.340 1.734 10 70 CDIERN C[C@@H](Cn1cncn1)NC(=O)c1cc(F)cc2cccnc21 ZINC000160835819 362181395 /nfs/dbraw/zinc/18/13/95/362181395.db2.gz FKXBHBHROZNYLU-JTQLQIEISA-N 0 0 299.309 1.784 10 70 CDIERN COC(=O)c1csc(NC(=O)C(=O)N[C@H](C)C(C)C)c1 ZINC000159765739 345264134 /nfs/dbraw/zinc/26/41/34/345264134.db2.gz RJIJFHUOBFFPEZ-MRVPVSSYSA-N 0 0 298.364 1.634 10 70 CDIERN CC(C)N(CCS(C)(=O)=O)C(=O)Nc1nccs1 ZINC000159808165 188442722 /nfs/dbraw/zinc/44/27/22/188442722.db2.gz ZINDUBDGLFQSRU-UHFFFAOYSA-N 0 0 291.398 1.430 10 70 CDIERN C[C@@H](NC(=O)c1ccc(C(F)(F)F)[nH]c1=O)[C@H](C)CO ZINC000160317625 188465747 /nfs/dbraw/zinc/46/57/47/188465747.db2.gz BUIJBJIGFSWIKJ-RNFRBKRXSA-N 0 0 292.257 1.140 10 70 CDIERN C[C@@H](CO)[C@@H](C)NC(=O)CCCOc1ccccc1 ZINC000160386892 188470115 /nfs/dbraw/zinc/47/01/15/188470115.db2.gz KMVYAHNCCGPEDG-QWHCGFSZSA-N 0 0 265.353 1.979 10 70 CDIERN Cc1cc(C(=O)N2CCCC[C@@H]2CC(N)=O)oc1C ZINC000159999431 363564434 /nfs/dbraw/zinc/56/44/34/363564434.db2.gz NLVDBAGTZCBDKV-LLVKDONJSA-N 0 0 264.325 1.767 10 70 CDIERN CN(CC(C)(C)CN1CCOCC1)C(=O)[C@@H]1CC1(C)C ZINC000160017542 363586482 /nfs/dbraw/zinc/58/64/82/363586482.db2.gz OGHOGHGXCBERGE-ZDUSSCGKSA-N 0 0 282.428 1.849 10 70 CDIERN CC(C)[C@@H](Sc1ccccc1)C(=O)NCCO ZINC000159481812 358635114 /nfs/dbraw/zinc/63/51/14/358635114.db2.gz GNFIKQZMUOHBOB-GFCCVEGCSA-N 0 0 253.367 1.912 10 70 CDIERN C[C@H](CCOc1ccccc1)C(=O)NC1(CO)CC1 ZINC000160216011 363761057 /nfs/dbraw/zinc/76/10/57/363761057.db2.gz XJIZCURZBSMBTP-GFCCVEGCSA-N 0 0 263.337 1.733 10 70 CDIERN O=C(NC1(CO)CC1)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000160269062 363794862 /nfs/dbraw/zinc/79/48/62/363794862.db2.gz DQIPOCGXBZLOSA-GXSJLCMTSA-N 0 0 267.275 1.709 10 70 CDIERN Cc1nn(-c2ccccc2)c(C)c1CC(=O)NC1(CO)CC1 ZINC000160348970 363820856 /nfs/dbraw/zinc/82/08/56/363820856.db2.gz BQAGBUHKJNQKOI-UHFFFAOYSA-N 0 0 299.374 1.673 10 70 CDIERN O=C(NC1(CO)CC1)c1cnn(-c2ccc(Cl)cc2)c1 ZINC000160335004 363822272 /nfs/dbraw/zinc/82/22/72/363822272.db2.gz AQSNBUPVDAIGEX-UHFFFAOYSA-N 0 0 291.738 1.780 10 70 CDIERN Cc1c(CNC(=O)NCCc2ccsc2)cnn1C ZINC000159648315 364245960 /nfs/dbraw/zinc/24/59/60/364245960.db2.gz PRZINWIAEOAOND-UHFFFAOYSA-N 0 0 278.381 1.832 10 70 CDIERN O=C([C@@H]1OCCc2ccccc21)N1[C@@H]2CC[C@H]1CC(O)C2 ZINC000160432523 364352451 /nfs/dbraw/zinc/35/24/51/364352451.db2.gz YTJGLWDEMSUPJY-LBEMJPCMSA-N 0 0 287.359 1.815 10 70 CDIERN C[C@@H](NC(=O)NOCc1cccnc1)[C@@H]1CCCO1 ZINC000161093608 364447022 /nfs/dbraw/zinc/44/70/22/364447022.db2.gz UOWDGIVQPXOYSB-PWSUYJOCSA-N 0 0 265.313 1.380 10 70 CDIERN COc1cccc(O[C@@H](C)CNC(=O)C[C@@H](O)C(C)C)c1 ZINC000161104804 364448664 /nfs/dbraw/zinc/44/86/64/364448664.db2.gz QOXATGHWCQBJSR-SWLSCSKDSA-N 0 0 295.379 1.986 10 70 CDIERN CCc1ccccc1C(=O)NC[C@H](C)N1CCOCC1 ZINC000160832295 364417697 /nfs/dbraw/zinc/41/76/97/364417697.db2.gz KGRGSEMKRBCEIF-ZDUSSCGKSA-N 0 0 276.380 1.700 10 70 CDIERN Cc1ccc(Cl)c(S(=O)(=O)N(C)[C@@H](C)CO)c1 ZINC000161300881 364476567 /nfs/dbraw/zinc/47/65/67/364476567.db2.gz SGYAXEKXRVIAGQ-VIFPVBQESA-N 0 0 277.773 1.650 10 70 CDIERN CCC[C@H](C(=O)NCc1cccc(C(N)=O)c1)[NH+](C)C ZINC000161486617 364501391 /nfs/dbraw/zinc/50/13/91/364501391.db2.gz XSIFEEYHXAQQOA-CYBMUJFWSA-N 0 0 277.368 1.132 10 70 CDIERN C[C@@H]1OCCN(C(=O)c2cnc3c(c2)ncn3C)[C@H]1C ZINC000160859618 376186082 /nfs/dbraw/zinc/18/60/82/376186082.db2.gz NTMQHPWGNTZAQT-UWVGGRQHSA-N 0 0 274.324 1.218 10 70 CDIERN CCc1ncsc1C(=O)NCC[C@H](O)C(C)C ZINC000160835891 377120306 /nfs/dbraw/zinc/12/03/06/377120306.db2.gz NCIMVQZHQIVOFS-JTQLQIEISA-N 0 0 256.371 1.842 10 70 CDIERN COC[C@H](O)CCNC(=O)C1(c2ccc(F)cc2)CC1 ZINC000161330706 533102541 /nfs/dbraw/zinc/10/25/41/533102541.db2.gz ZWGWDVGGNMCTEY-CYBMUJFWSA-N 0 0 281.327 1.371 10 70 CDIERN Cc1ccc(N2CC[C@@H](N3CCN(C4CC4)CC3)C2=O)cc1 ZINC000159719493 278822714 /nfs/dbraw/zinc/82/27/14/278822714.db2.gz UZYDHQARFXDJHS-QGZVFWFLSA-N 0 0 299.418 1.880 10 70 CDIERN CC(C)N(C[C@H](C)O)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000160913866 279876105 /nfs/dbraw/zinc/87/61/05/279876105.db2.gz PJRLIHSLIPEWRI-FQUUOJAGSA-N 0 0 296.411 1.745 10 70 CDIERN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)C1(NC(N)=O)CC1 ZINC000160294113 279992895 /nfs/dbraw/zinc/99/28/95/279992895.db2.gz GALQOBZTTXLBNR-GRYCIOLGSA-N 0 0 281.400 1.764 10 70 CDIERN O=C(N[C@H]1CCC[C@H]1CO)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000217933643 280089569 /nfs/dbraw/zinc/08/95/69/280089569.db2.gz XZAGVXPHNFULJQ-WFBYXXMGSA-N 0 0 295.766 1.921 10 70 CDIERN CC(C)[C@@H](O)CNC(=O)[C@@H](C)Oc1cccc(CO)c1 ZINC000160001878 292775835 /nfs/dbraw/zinc/77/58/35/292775835.db2.gz LDHYKJSLPXCQJE-RISCZKNCSA-N 0 0 281.352 1.079 10 70 CDIERN CCOc1ncc(C(=O)NC2(CO)CC2)cc1Cl ZINC000160320751 292783800 /nfs/dbraw/zinc/78/38/00/292783800.db2.gz IENKBBUZGFHGAR-UHFFFAOYSA-N 0 0 270.716 1.388 10 70 CDIERN C[C@H](CS(C)(=O)=O)CS(=O)(=O)c1cccs1 ZINC000160387127 292785705 /nfs/dbraw/zinc/78/57/05/292785705.db2.gz YETGRYMMGXOYRJ-MRVPVSSYSA-N 0 0 282.408 1.203 10 70 CDIERN C[C@H](C(=O)NCc1ncccc1F)C1CCOCC1 ZINC000161326548 292804674 /nfs/dbraw/zinc/80/46/74/292804674.db2.gz LCUZCCNHOWDIQL-JTQLQIEISA-N 0 0 266.316 1.900 10 70 CDIERN Cc1nc(NC(=O)CCc2cnn(C)c2)cc(C2CC2)n1 ZINC000160063989 534461146 /nfs/dbraw/zinc/46/11/46/534461146.db2.gz GBOCCAMZKYNERY-UHFFFAOYSA-N 0 0 285.351 1.967 10 70 CDIERN COc1ccc(C)cc1CC(=O)N[C@@H](C)[C@H](C)CO ZINC000160367656 523804713 /nfs/dbraw/zinc/80/47/13/523804713.db2.gz GAFFRTRRKVOMJY-NEPJUHHUSA-N 0 0 265.353 1.679 10 70 CDIERN COc1ccccc1N1CC[C@H](NC(=O)C[C@@H](C)OC)C1 ZINC000161064962 524574898 /nfs/dbraw/zinc/57/48/98/524574898.db2.gz KPDXCNZAARHBGU-OLZOCXBDSA-N 0 0 292.379 1.815 10 70 CDIERN O=C(NC[C@@H]1CN(C2CC2)CCO1)c1cccnc1Cl ZINC000160401659 526551420 /nfs/dbraw/zinc/55/14/20/526551420.db2.gz WIIKKQNOGKOPFW-LLVKDONJSA-N 0 0 295.770 1.328 10 70 CDIERN Cc1noc([C@H]2COCCN2C[C@@H]2CCCCO2)n1 ZINC000160764961 526672719 /nfs/dbraw/zinc/67/27/19/526672719.db2.gz VGRRTLQIRQQGAN-NWDGAFQWSA-N 0 0 267.329 1.320 10 70 CDIERN CC(C)CC[C@H]1CCC(=O)N(C[C@@H](O)COC(C)C)C1=O ZINC000160121084 527852788 /nfs/dbraw/zinc/85/27/88/527852788.db2.gz DJOMQGCZLBTAPF-UONOGXRCSA-N 0 0 299.411 1.974 10 70 CDIERN C[C@H](CO)[C@H](C)NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000160394878 361747067 /nfs/dbraw/zinc/74/70/67/361747067.db2.gz UEJXXTOGLVVAEJ-ZDMBXUJBSA-N 0 0 283.755 1.777 10 70 CDIERN O=C(N[C@@H]1CCOC1)N1CCN(c2ccccc2)CC1 ZINC000159373922 362316859 /nfs/dbraw/zinc/31/68/59/362316859.db2.gz JNBVDARHHJUVNQ-CYBMUJFWSA-N 0 0 275.352 1.307 10 70 CDIERN CC[C@H](CCO)NC(=O)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000160111570 362394948 /nfs/dbraw/zinc/39/49/48/362394948.db2.gz YCCJFQIYUTZPHO-DGCLKSJQSA-N 0 0 283.755 1.921 10 70 CDIERN COc1nc(C)nc(NCCNC(=O)C(C)C)c1C ZINC000159391873 188424013 /nfs/dbraw/zinc/42/40/13/188424013.db2.gz NCLKBTKPXRGNLP-UHFFFAOYSA-N 0 0 266.345 1.286 10 70 CDIERN CCC[C@H]1CN(C(=O)NCc2ccnn2C)CCO1 ZINC000159585942 188433265 /nfs/dbraw/zinc/43/32/65/188433265.db2.gz FJWIJNWTOQZJLG-LBPRGKRZSA-N 0 0 266.345 1.131 10 70 CDIERN CCOCC(=O)N[C@H]1CCN(c2ccccc2OC)C1 ZINC000161052003 188505459 /nfs/dbraw/zinc/50/54/59/188505459.db2.gz ZEJTVGQJXMRVSF-LBPRGKRZSA-N 0 0 278.352 1.427 10 70 CDIERN COC(=O)[C@@H]1CCCN(C(=O)Cc2nc(C)sc2C)C1 ZINC000161372466 188523988 /nfs/dbraw/zinc/52/39/88/188523988.db2.gz JAAVHKQFCMFQCA-LLVKDONJSA-N 0 0 296.392 1.714 10 70 CDIERN Cc1ccsc1[C@H]1C[C@@H]1C(=O)NC1(CO)CC1 ZINC000160199617 363751107 /nfs/dbraw/zinc/75/11/07/363751107.db2.gz YTSIBDZFTYPRGY-UWVGGRQHSA-N 0 0 251.351 1.801 10 70 CDIERN Cc1cccc2[nH]c(CNC(=O)CCc3nnc[nH]3)nc21 ZINC000160295343 363802955 /nfs/dbraw/zinc/80/29/55/363802955.db2.gz GEXARJTZUDTYAQ-UHFFFAOYSA-N 0 0 284.323 1.238 10 70 CDIERN CS(=O)(=O)c1csc(C(=O)Nc2cn[nH]c2)c1 ZINC000160289040 363809301 /nfs/dbraw/zinc/80/93/01/363809301.db2.gz QQWZPIYXJUNZDM-UHFFFAOYSA-N 0 0 271.323 1.127 10 70 CDIERN CCc1nnc(CN2CCO[C@@H]3CC[C@@H](OC)C[C@@H]32)[nH]1 ZINC000159527171 361730546 /nfs/dbraw/zinc/73/05/46/361730546.db2.gz RPFHVPBUSINDKD-GRYCIOLGSA-N 0 0 280.372 1.135 10 70 CDIERN COCCOCCCNC(=O)[C@@H](C)C1CCOCC1 ZINC000160312065 363812275 /nfs/dbraw/zinc/81/22/75/363812275.db2.gz AUIDOUQXYXKWJC-LBPRGKRZSA-N 0 0 273.373 1.218 10 70 CDIERN COc1cc(C(=O)NC2(CO)CC2)ccc1OCC(C)C ZINC000160316653 363813860 /nfs/dbraw/zinc/81/38/60/363813860.db2.gz QVTRULNGRGREGB-UHFFFAOYSA-N 0 0 293.363 1.985 10 70 CDIERN CCCOCC(=O)N1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000159628416 364242912 /nfs/dbraw/zinc/24/29/12/364242912.db2.gz GFBTTXQWZKEDAE-CHWSQXEVSA-N 0 0 297.351 1.357 10 70 CDIERN C[C@H](NC(=O)NOCc1cccnc1)[C@@H]1CCCO1 ZINC000161093492 364446678 /nfs/dbraw/zinc/44/66/78/364446678.db2.gz UOWDGIVQPXOYSB-JQWIXIFHSA-N 0 0 265.313 1.380 10 70 CDIERN C[C@@H](CO)[C@@H](C)NC(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000160819507 364412420 /nfs/dbraw/zinc/41/24/20/364412420.db2.gz RSBYGXYJSGCIMU-JGVFFNPUSA-N 0 0 294.277 1.584 10 70 CDIERN CCN(C(=O)N[C@@H]1CCc2ncnn2C1)C(C)C ZINC000161204927 364463771 /nfs/dbraw/zinc/46/37/71/364463771.db2.gz BEJAARLAWVNXQQ-SNVBAGLBSA-N 0 0 251.334 1.033 10 70 CDIERN Cc1cc(C[C@@H](C)NC(=O)c2cc(C(C)C)n[nH]2)[nH]n1 ZINC000161259480 364470477 /nfs/dbraw/zinc/47/04/77/364470477.db2.gz PIEYBXAUSBBBTC-SECBINFHSA-N 0 0 275.356 1.926 10 70 CDIERN CN1CCN(c2ccnc3c(F)cc(F)cc23)CC1=O ZINC000159595492 390940350 /nfs/dbraw/zinc/94/03/50/390940350.db2.gz YBGNHFZZQLHHTD-UHFFFAOYSA-N 0 0 277.274 1.791 10 70 CDIERN COC(=O)CCC(=O)Nc1cc(C2CC2)nc(C)n1 ZINC000160292669 533339850 /nfs/dbraw/zinc/33/98/50/533339850.db2.gz VUWKKDPNCQIBFX-UHFFFAOYSA-N 0 0 263.297 1.554 10 70 CDIERN C[C@H]1CN(CCCS(C)(=O)=O)C[C@@H](c2ccccc2)O1 ZINC000216813324 262341130 /nfs/dbraw/zinc/34/11/30/262341130.db2.gz PGBWXZAXGIOWFI-ZFWWWQNUSA-N 0 0 297.420 1.883 10 70 CDIERN Cc1cc(NC(=O)[C@H](C)C2CCOCC2)c[nH]c1=O ZINC000159848265 292771170 /nfs/dbraw/zinc/77/11/70/292771170.db2.gz QFZSCADOSHVGTM-SNVBAGLBSA-N 0 0 264.325 1.685 10 70 CDIERN COCCOCCCNC(=O)[C@H](C)C1CCOCC1 ZINC000160312198 292783885 /nfs/dbraw/zinc/78/38/85/292783885.db2.gz AUIDOUQXYXKWJC-GFCCVEGCSA-N 0 0 273.373 1.218 10 70 CDIERN CC(C)n1nnnc1COc1nnc(-c2ccccc2)o1 ZINC000161024946 292798722 /nfs/dbraw/zinc/79/87/22/292798722.db2.gz LIKLQTNORFUORW-UHFFFAOYSA-N 0 0 286.295 1.883 10 70 CDIERN CCCNC(=O)CN1CCC[C@@H](c2nncn2CC)C1 ZINC000161320301 519876594 /nfs/dbraw/zinc/87/65/94/519876594.db2.gz OFILBISSBDWWFX-GFCCVEGCSA-N 0 0 279.388 1.004 10 70 CDIERN CCOC(=O)C[C@@H](C)NC(=O)c1cccc(NC(C)=O)c1 ZINC000160740147 520835081 /nfs/dbraw/zinc/83/50/81/520835081.db2.gz XOJHBHSCTFYBKR-SNVBAGLBSA-N 0 0 292.335 1.717 10 70 CDIERN CCCN(C)C(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000161429778 521463625 /nfs/dbraw/zinc/46/36/25/521463625.db2.gz WHJVOLZIGBOIDF-LLVKDONJSA-N 0 0 279.388 1.768 10 70 CDIERN COc1ccc(OCc2nccn2C)c(C(N)=O)c1 ZINC000161043682 524976680 /nfs/dbraw/zinc/97/66/80/524976680.db2.gz PFNVICLHHXNEPC-UHFFFAOYSA-N 0 0 261.281 1.107 10 70 CDIERN O=C(Cc1c[nH]c2cc(F)ccc12)N1CCNC(=O)CC1 ZINC000161453224 527200914 /nfs/dbraw/zinc/20/09/14/527200914.db2.gz FRTKOEQBYQXYRM-UHFFFAOYSA-N 0 0 289.310 1.198 10 70 CDIERN CCCCCOCC(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000159902854 361919834 /nfs/dbraw/zinc/91/98/34/361919834.db2.gz CROSHRXAFXTWNH-UHFFFAOYSA-N 0 0 291.413 1.229 10 70 CDIERN CCCCCNC(=O)C(=O)Nc1c(C)onc1CC ZINC000159941635 539115112 /nfs/dbraw/zinc/11/51/12/539115112.db2.gz WTPCOQIOJMPVOW-UHFFFAOYSA-N 0 0 267.329 1.790 10 70 CDIERN Cc1nc(NC(=O)c2ccnn2C)cc(C2CC2)n1 ZINC000159995845 539115163 /nfs/dbraw/zinc/11/51/63/539115163.db2.gz APMAVJSWLOBJHU-UHFFFAOYSA-N 0 0 257.297 1.648 10 70 CDIERN Cc1cnccc1CCNC(=O)NCc1cscn1 ZINC000160329069 539115833 /nfs/dbraw/zinc/11/58/33/539115833.db2.gz NEKRNTVQFRXWTE-UHFFFAOYSA-N 0 0 276.365 1.888 10 70 CDIERN C[C@H](CO)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C(C)(C)C ZINC000160376290 539115838 /nfs/dbraw/zinc/11/58/38/539115838.db2.gz YYJJEYOLONPXCC-WOPDTQHZSA-N 0 0 284.400 1.157 10 70 CDIERN O=C(COc1ccc2c(c1)CCCC2)NC1(CO)CC1 ZINC000160317698 342374568 /nfs/dbraw/zinc/37/45/68/342374568.db2.gz CSJVYICAJPLSHE-UHFFFAOYSA-N 0 0 275.348 1.585 10 70 CDIERN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)[N-]OCC(F)(F)F ZINC000160750918 362487506 /nfs/dbraw/zinc/48/75/06/362487506.db2.gz RTOIDFOUAWJRRB-SXMVTHIZSA-N 0 0 296.289 1.129 10 70 CDIERN C[C@@H](C[S@](=O)c1ncccc1Cl)CS(C)(=O)=O ZINC000161060227 362534760 /nfs/dbraw/zinc/53/47/60/362534760.db2.gz XLYVTRYZUAGMEB-ZKANADHPSA-N 0 0 295.813 1.523 10 70 CDIERN Cc1cccc(CNC(=O)NCc2ccccc2CO)n1 ZINC000161138623 362692751 /nfs/dbraw/zinc/69/27/51/362692751.db2.gz REKSZLWBXZQAOE-UHFFFAOYSA-N 0 0 285.347 1.882 10 70 CDIERN Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2CO)c(C)nn1 ZINC000218157354 538525342 /nfs/dbraw/zinc/52/53/42/538525342.db2.gz HAAQSWQXMWODHH-WCQYABFASA-N 0 0 263.341 1.374 10 70 CDIERN COC(C[N@@H+]1CCC[C@@H](n2cc(C)cn2)C1)OC ZINC000160983583 358782583 /nfs/dbraw/zinc/78/25/83/358782583.db2.gz HJIRGPHEHMDVJT-GFCCVEGCSA-N 0 0 253.346 1.447 10 70 CDIERN CC(C)N(CC(N)=O)Cc1nnc(-c2ccccc2)n1C ZINC000160715850 360819883 /nfs/dbraw/zinc/81/98/83/360819883.db2.gz DSQBXEOSGMDNMQ-UHFFFAOYSA-N 0 0 287.367 1.178 10 70 CDIERN COC(=O)c1cncc(N[C@H](C)[C@@H]2CCOC2)n1 ZINC000159517170 361725128 /nfs/dbraw/zinc/72/51/28/361725128.db2.gz WPALMMSXQZFFDO-RKDXNWHRSA-N 0 0 251.286 1.100 10 70 CDIERN CCc1nnc(CN2CCO[C@@H](c3ccc(C)o3)C2)[nH]1 ZINC000159528581 361729784 /nfs/dbraw/zinc/72/97/84/361729784.db2.gz PQWFLZYBBSAIIM-GFCCVEGCSA-N 0 0 276.340 1.842 10 70 CDIERN COc1cccc([C@H]2C[C@H]2C(=O)NC2(CO)CC2)c1 ZINC000160319781 363815372 /nfs/dbraw/zinc/81/53/72/363815372.db2.gz LCRUUCSVXODRQM-CHWSQXEVSA-N 0 0 261.321 1.440 10 70 CDIERN COc1cccc([C@H]2C[C@H]2C(=O)N(C)[C@@H](C)CO)c1 ZINC000160529534 363968473 /nfs/dbraw/zinc/96/84/73/363968473.db2.gz YTGSTAVIPQLUAU-ZLKJLUDKSA-N 0 0 263.337 1.638 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)NC[C@@H](O)[C@@H](C)CC ZINC000160595919 364076235 /nfs/dbraw/zinc/07/62/35/364076235.db2.gz GKBMCIIFSWXHCT-GZMMTYOYSA-N 0 0 297.355 1.007 10 70 CDIERN CNS(=O)(=O)CC(=O)N[C@H]1CC[C@@H](C)c2ccccc21 ZINC000159565413 364234293 /nfs/dbraw/zinc/23/42/93/364234293.db2.gz AMNZAKUHDSPAMA-MFKMUULPSA-N 0 0 296.392 1.290 10 70 CDIERN CNS(=O)(=O)CC(=O)N[C@@H]1CC[C@@H](C)c2ccccc21 ZINC000159565688 364235014 /nfs/dbraw/zinc/23/50/14/364235014.db2.gz AMNZAKUHDSPAMA-ZWNOBZJWSA-N 0 0 296.392 1.290 10 70 CDIERN CC(C)N(CCS(C)(=O)=O)C(=O)Nc1ccccc1 ZINC000159703159 364255051 /nfs/dbraw/zinc/25/50/51/364255051.db2.gz VBMLEIPRFAYAGI-UHFFFAOYSA-N 0 0 284.381 1.974 10 70 CDIERN Cc1cc(CN(C)C(=O)NCCCC(=O)OC(C)C)no1 ZINC000160232251 364322378 /nfs/dbraw/zinc/32/23/78/364322378.db2.gz YYYPBEMTTYLZDO-UHFFFAOYSA-N 0 0 297.355 1.856 10 70 CDIERN Cc1cccn2cc(CS(=O)(=O)C3CCOCC3)nc12 ZINC000160043756 364298593 /nfs/dbraw/zinc/29/85/93/364298593.db2.gz CHZSSDDUOUOHOY-UHFFFAOYSA-N 0 0 294.376 1.737 10 70 CDIERN CC1(C)C[C@H]1C(=O)N1CCC[C@@H]1C(=O)NCc1ccco1 ZINC000160179696 364316351 /nfs/dbraw/zinc/31/63/51/364316351.db2.gz ZXXCXDOFLJBCIH-QWHCGFSZSA-N 0 0 290.363 1.933 10 70 CDIERN CNC(=O)CCCN(C)C(=O)Nc1ccc(N(C)C)nc1 ZINC000160759044 364406166 /nfs/dbraw/zinc/40/61/66/364406166.db2.gz LUCUGLDHVVGDGR-UHFFFAOYSA-N 0 0 293.371 1.138 10 70 CDIERN CCOCCC(=O)N[C@H]1CCN(c2ccccc2OC)C1 ZINC000161078230 364444970 /nfs/dbraw/zinc/44/49/70/364444970.db2.gz LGNVKSCTMIYKKF-ZDUSSCGKSA-N 0 0 292.379 1.817 10 70 CDIERN Cc1cc(C[C@H](C)NC(=O)CCOC(C)C)[nH]n1 ZINC000161260121 364470653 /nfs/dbraw/zinc/47/06/53/364470653.db2.gz FRKUIKGINBYDJE-JTQLQIEISA-N 0 0 253.346 1.580 10 70 CDIERN CCC[C@@H](NC(=O)c1cnccn1)C(=O)OC(C)(C)C ZINC000161501175 364503926 /nfs/dbraw/zinc/50/39/26/364503926.db2.gz PUWNOXNPIYNDKL-SNVBAGLBSA-N 0 0 279.340 1.717 10 70 CDIERN CCCc1cc(C(=O)N2C[C@@H]3CCC[C@]3(CO)C2)[nH]n1 ZINC000216962032 412809103 /nfs/dbraw/zinc/80/91/03/412809103.db2.gz OIYLAIUTLIJBEY-XHDPSFHLSA-N 0 0 277.368 1.597 10 70 CDIERN Cc1cccc(Cn2nccc2NC(=O)N[C@@H](C)CO)c1 ZINC000160120424 375737202 /nfs/dbraw/zinc/73/72/02/375737202.db2.gz XTOZNSLGKCPYPQ-LBPRGKRZSA-N 0 0 288.351 1.742 10 70 CDIERN CC[C@@H]1CO[C@H](C)CN1CC(=O)N[C@@H](C(C)=O)C(C)C ZINC000218339415 287255755 /nfs/dbraw/zinc/25/57/55/287255755.db2.gz BKZKEDHWRQJMIB-UXIGCNINSA-N 0 0 284.400 1.216 10 70 CDIERN CC(C)c1nnc(N2CCS(=O)(=O)[C@@H](C)C2)s1 ZINC000160758890 278102232 /nfs/dbraw/zinc/10/22/32/278102232.db2.gz JMTOSQPBLIIYIC-QMMMGPOBSA-N 0 0 275.399 1.285 10 70 CDIERN C[C@@H](CCC1CCCCC1)NC(=O)C[C@@H]1NC(=O)NC1=O ZINC000159668409 292765233 /nfs/dbraw/zinc/76/52/33/292765233.db2.gz DWUISGDFPJSHQS-JQWIXIFHSA-N 0 0 295.383 1.450 10 70 CDIERN CNC(=O)c1cccc(COc2cc(C)n(C)n2)c1 ZINC000159813377 292770280 /nfs/dbraw/zinc/77/02/80/292770280.db2.gz XKFBJEMZMBOPOM-UHFFFAOYSA-N 0 0 259.309 1.667 10 70 CDIERN CCC[C@H](NC(=O)[C@H]1CCOC1)C(=O)OC(C)(C)C ZINC000161456316 521142343 /nfs/dbraw/zinc/14/23/43/521142343.db2.gz YRHNLPUDTSDEAV-QWRGUYRKSA-N 0 0 271.357 1.650 10 70 CDIERN C[C@@H](CO)N(C)C(=O)c1cnn(-c2cccc(Cl)c2)c1 ZINC000160497884 524786046 /nfs/dbraw/zinc/78/60/46/524786046.db2.gz CEZZOCUQQDFJMW-JTQLQIEISA-N 0 0 293.754 1.979 10 70 CDIERN Cc1noc([C@@H]2COCCN2C[C@H](O)c2ccccc2)n1 ZINC000161189316 526658021 /nfs/dbraw/zinc/65/80/21/526658021.db2.gz CDSHYYZBSXTPFW-KBPBESRZSA-N 0 0 289.335 1.485 10 70 CDIERN C[C@H](NC(N)=O)C(=O)N1CC=C(c2ccccc2F)CC1 ZINC000159637142 361755155 /nfs/dbraw/zinc/75/51/55/361755155.db2.gz HXIIDWPASIOXJI-JTQLQIEISA-N 0 0 291.326 1.498 10 70 CDIERN Cc1nc(C)c(C(=O)N2Cc3ccccc3NC(=O)C2)o1 ZINC000159542880 342072811 /nfs/dbraw/zinc/07/28/11/342072811.db2.gz RUFPODBTGATRMJ-UHFFFAOYSA-N 0 0 285.303 1.886 10 70 CDIERN COC(=O)C1(N(C)CCCCS(C)(=O)=O)CCCC1 ZINC000159368462 344852664 /nfs/dbraw/zinc/85/26/64/344852664.db2.gz DRRWXYHINPSBKV-UHFFFAOYSA-N 0 0 291.413 1.229 10 70 CDIERN CCn1cc(S(=O)(=O)N(C)c2cccnc2OC)cn1 ZINC000160029711 345569920 /nfs/dbraw/zinc/56/99/20/345569920.db2.gz ZNEJTQPJOQMWLV-UHFFFAOYSA-N 0 0 296.352 1.132 10 70 CDIERN C[C@@H]1[C@@H](C)CCN1C(=O)c1cnc2c(c1)ncn2C ZINC000160710497 346199018 /nfs/dbraw/zinc/19/90/18/346199018.db2.gz JTXGKLVDEXRBGW-VHSXEESVSA-N 0 0 258.325 1.839 10 70 CDIERN Cc1occc1C(=O)NCC(=O)NCCC1=CCCC1 ZINC000161137047 362692909 /nfs/dbraw/zinc/69/29/09/362692909.db2.gz AQGQAFKVHZWQTH-UHFFFAOYSA-N 0 0 276.336 1.934 10 70 CDIERN Cc1ccc2ncc(C[N@H+]3C[C@@H](C(N)=O)CC[C@@H]3C)n2c1 ZINC000159709562 363213952 /nfs/dbraw/zinc/21/39/52/363213952.db2.gz ZBCDAMURXPRBBZ-STQMWFEESA-N 0 0 286.379 1.729 10 70 CDIERN C[C@H](C(=O)N1CCS(=O)(=O)C(C)(C)C1)c1cccnc1 ZINC000160181046 188458734 /nfs/dbraw/zinc/45/87/34/188458734.db2.gz IPIAZYWARCRCKV-NSHDSACASA-N 0 0 296.392 1.221 10 70 CDIERN CCC[C@@H](C(=O)NCC1(CCOC)CC1)[NH+](C)C ZINC000159743993 363270086 /nfs/dbraw/zinc/27/00/86/363270086.db2.gz SDCWRUZRASVSKC-LBPRGKRZSA-N 0 0 256.390 1.650 10 70 CDIERN CC(C)COCCCNC(=O)N(C[C@H](C)O)C(C)C ZINC000159411003 358488387 /nfs/dbraw/zinc/48/83/87/358488387.db2.gz MUIISDADZVCUGT-ZDUSSCGKSA-N 0 0 274.405 1.850 10 70 CDIERN C[C@@H](CC(=O)N1CCN(C2CC2)CC1)c1ccncc1 ZINC000159465124 538844078 /nfs/dbraw/zinc/84/40/78/538844078.db2.gz RIPOOLXZZZTJNK-ZDUSSCGKSA-N 0 0 273.380 1.882 10 70 CDIERN CCCNC(=O)CNC(=O)[C@H](C)COc1ccccc1 ZINC000159479618 358616413 /nfs/dbraw/zinc/61/64/13/358616413.db2.gz OOGGZNGKFSVRKC-GFCCVEGCSA-N 0 0 278.352 1.344 10 70 CDIERN Cn1cnc2cc(C(=O)N[C@@H]3CCOC(C)(C)C3)cnc21 ZINC000160983227 359908840 /nfs/dbraw/zinc/90/88/40/359908840.db2.gz ILXHRKZJISGNGL-LLVKDONJSA-N 0 0 288.351 1.656 10 70 CDIERN CCNS(=O)(=O)c1ccccc1N1CCC(C)(O)CC1 ZINC000160739860 360468504 /nfs/dbraw/zinc/46/85/04/360468504.db2.gz HKFOYJURWLAARX-UHFFFAOYSA-N 0 0 298.408 1.336 10 70 CDIERN CCSc1ccc(C(=O)NC2(CO)CC2)cn1 ZINC000160243336 363792667 /nfs/dbraw/zinc/79/26/67/363792667.db2.gz GZLRMUDWSZZVDA-UHFFFAOYSA-N 0 0 252.339 1.448 10 70 CDIERN Cc1cnn(Cc2cc(C(=O)Nc3cc(C)on3)no2)c1 ZINC000160342824 363819123 /nfs/dbraw/zinc/81/91/23/363819123.db2.gz IBDKUDJYPJKTJJ-UHFFFAOYSA-N 0 0 287.279 1.777 10 70 CDIERN O=C(COc1ccc(F)c(Cl)c1)NC1(CO)CC1 ZINC000160434778 363863610 /nfs/dbraw/zinc/86/36/10/363863610.db2.gz WCMNJDQALATUOF-UHFFFAOYSA-N 0 0 273.691 1.499 10 70 CDIERN O=C(Nc1ccc(NC(=O)C2CC2)cc1)NC1(CO)CC1 ZINC000160481884 363922022 /nfs/dbraw/zinc/92/20/22/363922022.db2.gz WHVBRNLHFMKKPY-UHFFFAOYSA-N 0 0 289.335 1.682 10 70 CDIERN O=C(NCCCO)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000159580706 364236872 /nfs/dbraw/zinc/23/68/72/364236872.db2.gz CQZOOFGONWAPNS-ZETCQYMHSA-N 0 0 291.273 1.032 10 70 CDIERN Cc1[nH]c(=O)ccc1C(=O)N1CCN(C2CC2)CC1 ZINC000160842462 364417514 /nfs/dbraw/zinc/41/75/14/364417514.db2.gz MJLKRNDRZGEMJR-UHFFFAOYSA-N 0 0 261.325 1.016 10 70 CDIERN CCC[C@@H](NC(=O)c1cc(C)nn1C)C(=O)OC(C)(C)C ZINC000161415929 364489881 /nfs/dbraw/zinc/48/98/81/364489881.db2.gz ZUWIWSXSBPZPJM-LLVKDONJSA-N 0 0 295.383 1.969 10 70 CDIERN CCc1cc(C)c(C(=O)N[C@@H](C(N)=O)C(C)(C)C)o1 ZINC000160231316 377041985 /nfs/dbraw/zinc/04/19/85/377041985.db2.gz KETXYCMPALUAPM-NSHDSACASA-N 0 0 266.341 1.780 10 70 CDIERN C[C@@H](CC1CC1)NC(=O)N1CCC([C@H](C)O)CC1 ZINC000159843444 533501846 /nfs/dbraw/zinc/50/18/46/533501846.db2.gz PSDPXLGSIDODQS-QWRGUYRKSA-N 0 0 254.374 1.977 10 70 CDIERN O=C(N[C@@H]1CCc2ncnn2C1)N1CCc2ccccc21 ZINC000161116882 391582154 /nfs/dbraw/zinc/58/21/54/391582154.db2.gz KXKMQKMJNQJNFY-GFCCVEGCSA-N 0 0 283.335 1.365 10 70 CDIERN C[C@H](CCO)NC(=O)N[C@@H](C)[C@@H]1COc2ccccc21 ZINC000161422785 139912724 /nfs/dbraw/zinc/91/27/24/139912724.db2.gz RDJRJOGYVXTBBB-MDZLAQPJSA-N 0 0 278.352 1.621 10 70 CDIERN O=C1[C@@H]2CC=CC[C@H]2C(=O)N1C[C@@H](O)c1ccccc1 ZINC000218769577 397719176 /nfs/dbraw/zinc/71/91/76/397719176.db2.gz ZZTZLHYZJNSXCV-MGPQQGTHSA-N 0 0 271.316 1.671 10 70 CDIERN CCOCCC(=O)N1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000159495707 286035814 /nfs/dbraw/zinc/03/58/14/286035814.db2.gz FQFCGEGIVQUDEJ-QWHCGFSZSA-N 0 0 297.351 1.357 10 70 CDIERN CC(=O)Nc1cccc(C(=O)N[C@@H]2CCC[C@@H]2CO)c1 ZINC000217923474 280089560 /nfs/dbraw/zinc/08/95/60/280089560.db2.gz AGPCYDDRLHLMCP-TZMCWYRMSA-N 0 0 276.336 1.536 10 70 CDIERN C[C@H](CC(=O)NC1(CO)CC1)c1cccc(F)c1 ZINC000160215066 292780682 /nfs/dbraw/zinc/78/06/82/292780682.db2.gz TYMBEWAOTIIOQZ-SNVBAGLBSA-N 0 0 251.301 1.960 10 70 CDIERN O=C(NC1(CO)CC1)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000160290904 292782512 /nfs/dbraw/zinc/78/25/12/292782512.db2.gz ROTFZMBUIYBCGY-CQSZACIVSA-N 0 0 291.347 1.499 10 70 CDIERN O=C(CCOc1ccc(F)cc1Cl)NC1(CO)CC1 ZINC000160329246 292783890 /nfs/dbraw/zinc/78/38/90/292783890.db2.gz JLITUYMKYHSAPZ-UHFFFAOYSA-N 0 0 287.718 1.889 10 70 CDIERN CCOCCOCC(=O)Nc1n[nH]c(-c2ccc(C)o2)n1 ZINC000160354489 519990038 /nfs/dbraw/zinc/99/00/38/519990038.db2.gz PSBJDFWNTYLNOK-UHFFFAOYSA-N 0 0 294.311 1.365 10 70 CDIERN CCC[C@H](NC(=O)COCC)C(=O)OC(C)(C)C ZINC000161418441 521125303 /nfs/dbraw/zinc/12/53/03/521125303.db2.gz UFNRKFPYZOKFHZ-JTQLQIEISA-N 0 0 259.346 1.650 10 70 CDIERN CCc1nc(CNC(=O)[C@H]2CCn3ccnc3C2)cs1 ZINC000161492400 522338484 /nfs/dbraw/zinc/33/84/84/522338484.db2.gz AEOARYOOGIJGCM-JTQLQIEISA-N 0 0 290.392 1.781 10 70 CDIERN CC[C@@H]1CCCCCN1C(=O)NCCNC(C)=O ZINC000160911335 523143691 /nfs/dbraw/zinc/14/36/91/523143691.db2.gz DRHJRVQDLNVATK-GFCCVEGCSA-N 0 0 255.362 1.487 10 70 CDIERN C[C@H](CCO)CNC(=O)CCc1nc(C(C)(C)C)no1 ZINC000160953845 524201667 /nfs/dbraw/zinc/20/16/67/524201667.db2.gz BYIYVHQGKZZJFF-SNVBAGLBSA-N 0 0 283.372 1.434 10 70 CDIERN C[C@H](CO)N(C)C(=O)c1cnn(-c2cccc(Cl)c2)c1 ZINC000160497994 524540899 /nfs/dbraw/zinc/54/08/99/524540899.db2.gz CEZZOCUQQDFJMW-SNVBAGLBSA-N 0 0 293.754 1.979 10 70 CDIERN C[C@@H](NC(=O)[C@H]1CCC(=O)N1)c1ccccc1-n1cccn1 ZINC000159562226 525290295 /nfs/dbraw/zinc/29/02/95/525290295.db2.gz GZTSBWYRXYFGFD-DGCLKSJQSA-N 0 0 298.346 1.328 10 70 CDIERN COC[C@@H]1CCCN(c2nc(C)nc(OC)c2C)C1 ZINC000159399182 536765305 /nfs/dbraw/zinc/76/53/05/536765305.db2.gz IRQJVLQRXCAXID-GFCCVEGCSA-N 0 0 265.357 1.965 10 70 CDIERN CNc1ncc(C(=O)N2CC[C@H]3OCCC[C@@H]3C2)s1 ZINC000159710812 361806707 /nfs/dbraw/zinc/80/67/07/361806707.db2.gz VHTCMQCAYNYZSS-NXEZZACHSA-N 0 0 281.381 1.826 10 70 CDIERN Cc1noc2nc(C(C)C)cc(C(=O)NC3(CO)CC3)c12 ZINC000160437967 539115890 /nfs/dbraw/zinc/11/58/90/539115890.db2.gz IUWZWRRGYSLAMD-UHFFFAOYSA-N 0 0 289.335 1.909 10 70 CDIERN C[C@@H](C[S@@](=O)c1ccccc1)CS(C)(=O)=O ZINC000161032688 362500271 /nfs/dbraw/zinc/50/02/71/362500271.db2.gz HGLYNQJJSQZBSE-BONVTDFDSA-N 0 0 260.380 1.475 10 70 CDIERN COC(=O)[C@H](N[C@H]1CCC(=O)N(C)C1)c1ccc(F)cc1 ZINC000161200602 188514898 /nfs/dbraw/zinc/51/48/98/188514898.db2.gz NVFSBLVGODYUAH-GXTWGEPZSA-N 0 0 294.326 1.250 10 70 CDIERN C[C@@H](c1ccco1)N(C)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000161261699 188518061 /nfs/dbraw/zinc/51/80/61/188518061.db2.gz XTNGSAOCWYRAIE-WDEREUQCSA-N 0 0 289.339 1.589 10 70 CDIERN O=C(NCCC[C@@H]1CCCC[C@@H]1O)Nc1cccnn1 ZINC000160524227 237179267 /nfs/dbraw/zinc/17/92/67/237179267.db2.gz KSCFDCCOWBDVQQ-RYUDHWBXSA-N 0 0 278.356 1.929 10 70 CDIERN CCc1cc(C)c(C(=O)N2CSC[C@@H]2C(=O)N(C)C)o1 ZINC000160201883 363754989 /nfs/dbraw/zinc/75/49/89/363754989.db2.gz KGHLDLKCADGETD-LLVKDONJSA-N 0 0 296.392 1.754 10 70 CDIERN Cc1cccc2[nH]c(CNC(=O)[C@H]3CCNC(=O)C3)nc21 ZINC000160546049 363983762 /nfs/dbraw/zinc/98/37/62/363983762.db2.gz WJKJBTUXZIWTSB-JTQLQIEISA-N 0 0 286.335 1.014 10 70 CDIERN Cn1nccc1C1CCN(C(=O)NCC2(C)COC2)CC1 ZINC000159854061 364273849 /nfs/dbraw/zinc/27/38/49/364273849.db2.gz MPYKMCUKYJNSRZ-UHFFFAOYSA-N 0 0 292.383 1.346 10 70 CDIERN CC(C)OC(=O)CCCNC(=O)N1CCOCC[C@@H]1C ZINC000160197605 364316055 /nfs/dbraw/zinc/31/60/55/364316055.db2.gz HJKDTFBWFLOBJA-LBPRGKRZSA-N 0 0 286.372 1.539 10 70 CDIERN C/C=C/c1ccc(OCC(=O)N(C)[C@@H](C)CO)c(OC)c1 ZINC000160567583 364375604 /nfs/dbraw/zinc/37/56/04/364375604.db2.gz GANOIFIQBPLYMV-FYJFLYSWSA-N 0 0 293.363 1.946 10 70 CDIERN CN1CC[C@@H](NC(N)=O)[C@@H]1c1ccc(F)c(F)c1 ZINC000160708722 364398550 /nfs/dbraw/zinc/39/85/50/364398550.db2.gz NDTQGQRFYOLLEV-MNOVXSKESA-N 0 0 255.268 1.378 10 70 CDIERN Cc1c(C(=O)N[C@H](C)CC(C)C)cccc1S(N)(=O)=O ZINC000161296542 377562106 /nfs/dbraw/zinc/56/21/06/377562106.db2.gz DCCNVHDXXUZISG-SNVBAGLBSA-N 0 0 298.408 1.807 10 70 CDIERN C[C@H]1CCC[C@H](CNC(=O)C2=NNC(=O)CC2)C1 ZINC000218010445 140164983 /nfs/dbraw/zinc/16/49/83/140164983.db2.gz LBWFSPHIERSZNG-UWVGGRQHSA-N 0 0 251.330 1.195 10 70 CDIERN COC(CN1CCCC[C@@H]1c1nnc2n1CCCC2)OC ZINC000160797226 292079089 /nfs/dbraw/zinc/07/90/89/292079089.db2.gz NHOZAZXGEAIACY-GFCCVEGCSA-N 0 0 294.399 1.760 10 70 CDIERN CCOCCC(=O)N1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000159495402 279678280 /nfs/dbraw/zinc/67/82/80/279678280.db2.gz FQFCGEGIVQUDEJ-STQMWFEESA-N 0 0 297.351 1.357 10 70 CDIERN CC(C)CC[C@H](NC(=O)C[C@@H]1NC(=O)NC1=O)C(C)(C)C ZINC000159977882 292775045 /nfs/dbraw/zinc/77/50/45/292775045.db2.gz JTSOHDDJRJRBIR-QWRGUYRKSA-N 0 0 297.399 1.552 10 70 CDIERN CC[C@@H](C)OCC(=O)N1CC(OCCCOC)C1 ZINC000160317353 292783790 /nfs/dbraw/zinc/78/37/90/292783790.db2.gz FGUJVIMQHSZMIR-LLVKDONJSA-N 0 0 259.346 1.065 10 70 CDIERN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)NC2(CO)CC2)cc1 ZINC000160313315 292783805 /nfs/dbraw/zinc/78/38/05/292783805.db2.gz OZTCLKVFYXSBKA-MFKMUULPSA-N 0 0 288.347 1.536 10 70 CDIERN O=C(CCc1ccc(Cl)cc1)NC1(CO)CC1 ZINC000160347066 292785036 /nfs/dbraw/zinc/78/50/36/292785036.db2.gz VSKXWFSWGIVAQS-UHFFFAOYSA-N 0 0 253.729 1.914 10 70 CDIERN CCC[C@@H](NC(=O)[C@@H](C)OC)C(=O)OC(C)(C)C ZINC000161476427 520745040 /nfs/dbraw/zinc/74/50/40/520745040.db2.gz ZZAPKWCEWHYDBZ-NXEZZACHSA-N 0 0 259.346 1.648 10 70 CDIERN C[C@@H](Oc1cccc(CO)c1)C(=O)N[C@H]1CCCC[C@@H]1O ZINC000159806537 533942555 /nfs/dbraw/zinc/94/25/55/533942555.db2.gz GZZKGTKCVDIOMH-UGFHNGPFSA-N 0 0 293.363 1.366 10 70 CDIERN CC(C)Cc1ncc(CN2CCNC(=O)C2)s1 ZINC000160515812 517432435 /nfs/dbraw/zinc/43/24/35/517432435.db2.gz ZBSDIHHNAQGMFU-UHFFFAOYSA-N 0 0 253.371 1.273 10 70 CDIERN CCCC(O)(CCC)CC(=O)N1CCNC(=O)CC1 ZINC000161372348 519885353 /nfs/dbraw/zinc/88/53/53/519885353.db2.gz OLTVPUXUGAXWJV-UHFFFAOYSA-N 0 0 270.373 1.056 10 70 CDIERN CCCn1ncnc1CN1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160809284 519893853 /nfs/dbraw/zinc/89/38/53/519893853.db2.gz VNKIPBQLKRBPPD-HIFRSBDPSA-N 0 0 278.400 1.815 10 70 CDIERN CC(C)n1ccnc1CS(=O)(=O)C[C@H]1CCCCO1 ZINC000161216499 520034978 /nfs/dbraw/zinc/03/49/78/520034978.db2.gz NIHSVHWJLZJOJA-GFCCVEGCSA-N 0 0 286.397 1.948 10 70 CDIERN CCCN(CCC)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000161187556 521638722 /nfs/dbraw/zinc/63/87/22/521638722.db2.gz SENANGZYFMJUHV-LLVKDONJSA-N 0 0 265.361 1.425 10 70 CDIERN COc1ccccc1N1CC[C@@H](NC(=O)C[C@@H](C)OC)C1 ZINC000161064759 524567765 /nfs/dbraw/zinc/56/77/65/524567765.db2.gz KPDXCNZAARHBGU-CHWSQXEVSA-N 0 0 292.379 1.815 10 70 CDIERN Cc1ccc(N2C[C@H](C(=O)N(C)[C@@H](C)CO)CC2=O)cc1 ZINC000160541467 524981035 /nfs/dbraw/zinc/98/10/35/524981035.db2.gz RESCTSPELZIIQK-QWHCGFSZSA-N 0 0 290.363 1.187 10 70 CDIERN O=C(Nc1nc[nH]n1)c1cc(N2CCCC2=O)ccc1F ZINC000161019959 527537564 /nfs/dbraw/zinc/53/75/64/527537564.db2.gz NVUIWUIFKXRHCH-UHFFFAOYSA-N 0 0 289.270 1.323 10 70 CDIERN CCC1(CNC(=O)N2CCC[C@H]2C(=O)NC)CC1 ZINC000159575212 527714202 /nfs/dbraw/zinc/71/42/02/527714202.db2.gz REQFDJRANFMJJX-JTQLQIEISA-N 0 0 253.346 1.097 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CCC(=O)N[C@H]1CCCN(C(=O)Nc2ccc(C)nc2)C1 ZINC000161478634 539117803 /nfs/dbraw/zinc/11/78/03/539117803.db2.gz ZYVOHPOQHYTZHH-ZDUSSCGKSA-N 0 0 290.367 1.913 10 70 CDIERN O=C(NC1(CO)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000160251505 342371955 /nfs/dbraw/zinc/37/19/55/342371955.db2.gz HQCBOHKZOFOYIE-UHFFFAOYSA-N 0 0 274.320 1.068 10 70 CDIERN O=C(N[C@H]1CCOC1)N[C@@H]1CCc2ccccc2C1 ZINC000159443494 362322441 /nfs/dbraw/zinc/32/24/41/362322441.db2.gz JAJCJWZRRBFLJZ-KGLIPLIRSA-N 0 0 260.337 1.632 10 70 CDIERN COC[C@@H](O)CCNC(=O)c1[nH]c2ccc(C)cc2c1C ZINC000160974813 362374188 /nfs/dbraw/zinc/37/41/88/362374188.db2.gz ZHPDRELIVANHEF-LBPRGKRZSA-N 0 0 290.363 1.912 10 70 CDIERN CCCn1nccc1NC(=O)[C@H]1CCn2ccnc2C1 ZINC000159799803 362523435 /nfs/dbraw/zinc/52/34/35/362523435.db2.gz AORSFFNNVOQJJF-NSHDSACASA-N 0 0 273.340 1.691 10 70 CDIERN C[C@@H](C[S@@](=O)c1ccc(Cl)cn1)CS(C)(=O)=O ZINC000161069143 362545752 /nfs/dbraw/zinc/54/57/52/362545752.db2.gz MWPIBCNQDKUZMG-PWJLMRLQSA-N 0 0 295.813 1.523 10 70 CDIERN CCOC(=O)C[C@@H](C)NC(=O)c1cc(C)nn1CC ZINC000160846766 346642950 /nfs/dbraw/zinc/64/29/50/346642950.db2.gz YZXHCQLHGYPZRN-SECBINFHSA-N 0 0 267.329 1.283 10 70 CDIERN O=C(N[C@H]1COc2ccccc21)[C@@H]1CCn2ccnc2C1 ZINC000160998024 359948775 /nfs/dbraw/zinc/94/87/75/359948775.db2.gz GPLUXXSBSQOEAC-YPMHNXCESA-N 0 0 283.331 1.695 10 70 CDIERN CC(C)N(C[C@H](C)O)C(=O)NCCCNc1ccccn1 ZINC000160680234 360724920 /nfs/dbraw/zinc/72/49/20/360724920.db2.gz HSLVCLHCZAYUPN-ZDUSSCGKSA-N 0 0 294.399 1.684 10 70 CDIERN COc1ccc([C@H](C)CC(=O)NC2(CO)CC2)cc1 ZINC000160229520 363777674 /nfs/dbraw/zinc/77/76/74/363777674.db2.gz HACPKZUIDXZFRA-LLVKDONJSA-N 0 0 263.337 1.830 10 70 CDIERN O=C(CCc1nnc[nH]1)N[C@H]1CCOC2(CCCC2)C1 ZINC000159510700 361725360 /nfs/dbraw/zinc/72/53/60/361725360.db2.gz ULMFGXXQXFCADN-NSHDSACASA-N 0 0 278.356 1.345 10 70 CDIERN O=C(N1CC[C@@H](N2CCOCC2)C1)N1CCCCCC1 ZINC000160559699 364005382 /nfs/dbraw/zinc/00/53/82/364005382.db2.gz AQHRBCCLCTUKFV-CQSZACIVSA-N 0 0 281.400 1.389 10 70 CDIERN CC1(C)C[C@H]1C(=O)N[C@H](CS(C)(=O)=O)c1ccccc1 ZINC000160338038 364338103 /nfs/dbraw/zinc/33/81/03/364338103.db2.gz AIESNWGJOJYPSP-QWHCGFSZSA-N 0 0 295.404 1.935 10 70 CDIERN O=S(=O)(CCOc1ccccc1)C1CCOCC1 ZINC000160093410 364306226 /nfs/dbraw/zinc/30/62/26/364306226.db2.gz MSBJWXORMLTYIN-UHFFFAOYSA-N 0 0 270.350 1.659 10 70 CDIERN NC(=O)c1ccc(C(=O)NCCC2=CCCC2)nc1 ZINC000160165492 364315028 /nfs/dbraw/zinc/31/50/28/364315028.db2.gz OIRSLHDKQYFWFL-UHFFFAOYSA-N 0 0 259.309 1.411 10 70 CDIERN C[C@@H](CO)[C@H](C)NC(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000160819765 364413393 /nfs/dbraw/zinc/41/33/93/364413393.db2.gz RSBYGXYJSGCIMU-YUMQZZPRSA-N 0 0 294.277 1.584 10 70 CDIERN CCC[C@H](C(=O)NC[C@@H](c1ccco1)N(C)C)[NH+](C)C ZINC000161225518 364465771 /nfs/dbraw/zinc/46/57/71/364465771.db2.gz RPMUPZWKNNCZSA-OLZOCXBDSA-N 0 0 281.400 1.729 10 70 CDIERN COC(=O)C[C@H](C)C(=O)Nc1cc(-c2ccncc2)[nH]n1 ZINC000161340178 364478741 /nfs/dbraw/zinc/47/87/41/364478741.db2.gz XUQUKFQKESJIFO-VIFPVBQESA-N 0 0 288.307 1.609 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1.030 10 70 CDIERN Cc1noc(Cl)c1CC(=O)N[C@H](C)[C@H]1CCCO1 ZINC000160122836 292777873 /nfs/dbraw/zinc/77/78/73/292777873.db2.gz WPTFHWXAFYQUMU-PSASIEDQSA-N 0 0 272.732 1.863 10 70 CDIERN COC(=O)CCCNC(=O)[C@@H]1CCC(=O)C[C@H]1C ZINC000160335786 292784532 /nfs/dbraw/zinc/78/45/32/292784532.db2.gz QXVZZFPMVMTSHQ-MWLCHTKSSA-N 0 0 255.314 1.061 10 70 CDIERN O=C(Nc1ccc(C(=O)NC2CC2)cc1)NC1(CO)CC1 ZINC000160462733 292787815 /nfs/dbraw/zinc/78/78/15/292787815.db2.gz RKARCAHODNHOCG-UHFFFAOYSA-N 0 0 289.335 1.225 10 70 CDIERN CCc1cc(=O)[nH]c(CN(C)CC(=O)NC(C)(C)C)n1 ZINC000160578269 292790732 /nfs/dbraw/zinc/79/07/32/292790732.db2.gz DAGDKHMAPBVRAX-UHFFFAOYSA-N 0 0 280.372 1.091 10 70 CDIERN COCCC1(C(=O)NCCCCC(=O)OC)CC1 ZINC000160829531 292794739 /nfs/dbraw/zinc/79/47/39/292794739.db2.gz VBWDKIQOHWJSGY-UHFFFAOYSA-N 0 0 257.330 1.263 10 70 CDIERN COC[C@H](O)CCNC(=O)C(C)(C)c1ccccc1F ZINC000161236264 292802547 /nfs/dbraw/zinc/80/25/47/292802547.db2.gz FDJIYIIFOPYHRN-LLVKDONJSA-N 0 0 283.343 1.617 10 70 CDIERN CCOC(=O)CNC(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000161062422 520786636 /nfs/dbraw/zinc/78/66/36/520786636.db2.gz FNVRZYVHMBUXGU-RYUDHWBXSA-N 0 0 253.342 1.882 10 70 CDIERN C[C@H](CO)N(C)C(=O)C[C@@H]1CCOc2ccccc21 ZINC000160453926 524534238 /nfs/dbraw/zinc/53/42/38/524534238.db2.gz FNLSYWVACFUFQQ-NEPJUHHUSA-N 0 0 263.337 1.782 10 70 CDIERN C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCC(C)(O)CC1 ZINC000161252496 525348612 /nfs/dbraw/zinc/34/86/12/525348612.db2.gz XFPLIJLPFZGNKH-GFCCVEGCSA-N 0 0 290.363 1.178 10 70 CDIERN CCOC(=O)C[C@H](C)NC(=O)c1nc(C)ncc1Cl ZINC000160653468 342483130 /nfs/dbraw/zinc/48/31/30/342483130.db2.gz CGQAWNGKIMILMH-ZETCQYMHSA-N 0 0 285.731 1.510 10 70 CDIERN C[C@H]1CN(C(=O)NCCc2cscn2)C[C@H](C)O1 ZINC000159565512 539114373 /nfs/dbraw/zinc/11/43/73/539114373.db2.gz AKICHYVATTWFLW-UWVGGRQHSA-N 0 0 269.370 1.504 10 70 CDIERN O=C(C[C@@H]1CCCCO1)N1CCC(OCCCO)CC1 ZINC000160071937 539115382 /nfs/dbraw/zinc/11/53/82/539115382.db2.gz URZMUCOZVWXGPC-AWEZNQCLSA-N 0 0 285.384 1.336 10 70 CDIERN CCOCCOCC(=O)N(C)[C@@H](C)Cc1ccc(O)cc1 ZINC000160493367 539115932 /nfs/dbraw/zinc/11/59/32/539115932.db2.gz NLNQZJSHAQPNQS-ZDUSSCGKSA-N 0 0 295.379 1.835 10 70 CDIERN C[C@H](C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1)n1cccn1 ZINC000160441501 362425380 /nfs/dbraw/zinc/42/53/80/362425380.db2.gz HQTFTCNHTDBGGN-UMVBOHGHSA-N 0 0 277.368 1.598 10 70 CDIERN C[C@H](C[S@@](=O)c1ccc(F)c(F)c1)CS(C)(=O)=O ZINC000161055097 362529328 /nfs/dbraw/zinc/52/93/28/362529328.db2.gz SALCIJWUHFXTDS-RBHXEPJQSA-N 0 0 296.360 1.753 10 70 CDIERN C[C@@H]1CC(NC(=O)NC[C@@H]2CCC[N@@H+]2C)C[C@@H](C)O1 ZINC000159763841 363283480 /nfs/dbraw/zinc/28/34/80/363283480.db2.gz RWHIFYQYHMNLSP-WZRBSPASSA-N 0 0 269.389 1.336 10 70 CDIERN N=C(N)c1csc(OCCO[C@H]2CCCCO2)n1 ZINC000217472413 356820269 /nfs/dbraw/zinc/82/02/69/356820269.db2.gz AHKIFHQVVULEBK-VIFPVBQESA-N 0 0 271.342 1.349 10 70 CDIERN O=C(Cc1c[nH]c2cc(F)ccc12)NC1(CO)CC1 ZINC000160273739 363805632 /nfs/dbraw/zinc/80/56/32/363805632.db2.gz WTJXVAACQMOQAA-UHFFFAOYSA-N 0 0 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257.355 1.925 10 70 CDIERN C[C@@H]1CN(C(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)C[C@@H](C)O1 ZINC000217285504 260093142 /nfs/dbraw/zinc/09/31/42/260093142.db2.gz ZFVARRYIAVWPBQ-UTUOFQBUSA-N 0 0 297.399 1.205 10 70 CDIERN Cn1nnc2ccc(C(=O)NCCc3ccco3)cc21 ZINC000159521038 292761182 /nfs/dbraw/zinc/76/11/82/292761182.db2.gz CTMOGNBXSLJTHJ-UHFFFAOYSA-N 0 0 270.292 1.534 10 70 CDIERN CCCN(CC)c1ccc(C(=O)NC2(CO)CC2)cn1 ZINC000160308270 292783189 /nfs/dbraw/zinc/78/31/89/292783189.db2.gz GPJQGJSROLVIKV-UHFFFAOYSA-N 0 0 277.368 1.573 10 70 CDIERN C/C=C/c1ccc(OCC(=O)NC2(CO)CC2)c(OC)c1 ZINC000160346799 292785030 /nfs/dbraw/zinc/78/50/30/292785030.db2.gz RZACQAHMUOZYQH-ONEGZZNKSA-N 0 0 291.347 1.748 10 70 CDIERN C[C@H](Cc1ccc(O)cc1)N(C)C(=O)[C@H]1CCC(=O)NC1 ZINC000160448106 292787101 /nfs/dbraw/zinc/78/71/01/292787101.db2.gz FFEBWURCNSZNGJ-YPMHNXCESA-N 0 0 290.363 1.308 10 70 CDIERN CC(C)NC(=O)N[C@@H](C)Cn1ncc2ccccc2c1=O ZINC000160581380 292790901 /nfs/dbraw/zinc/79/09/01/292790901.db2.gz LXXRFSZFXXREET-NSHDSACASA-N 0 0 288.351 1.493 10 70 CDIERN CC(C)CN(CC(C)C)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000161032268 519712880 /nfs/dbraw/zinc/71/28/80/519712880.db2.gz CLAPASZJUQWBGM-CYBMUJFWSA-N 0 0 293.415 1.917 10 70 CDIERN COCCC1(C(=O)N2CCC(n3cncn3)CC2)CC1 ZINC000161148700 523001541 /nfs/dbraw/zinc/00/15/41/523001541.db2.gz QNAUTUFNUWEFTK-UHFFFAOYSA-N 0 0 278.356 1.258 10 70 CDIERN COc1ccc2c(c1)OC[C@H](C(=O)N(C)[C@@H](C)CO)C2 ZINC000160527813 525566541 /nfs/dbraw/zinc/56/65/41/525566541.db2.gz PTTSOTPDCFKSNA-CMPLNLGQSA-N 0 0 279.336 1.086 10 70 CDIERN C[C@@H](O)CCNC(=O)Nc1cccc(-c2ncn(C)n2)c1 ZINC000161507333 525767341 /nfs/dbraw/zinc/76/73/41/525767341.db2.gz JKDUQBWNNUNHJZ-SNVBAGLBSA-N 0 0 289.339 1.375 10 70 CDIERN O=C(NC[C@H]1CN(C2CC2)CCO1)[C@@H]1CC1(Cl)Cl ZINC000160431174 526620959 /nfs/dbraw/zinc/62/09/59/526620959.db2.gz MBSQOPAZSFRZIT-UWVGGRQHSA-N 0 0 293.194 1.160 10 70 CDIERN Cn1c(CN2CCOCC2)nnc1-c1ccccc1 ZINC000160673062 527055688 /nfs/dbraw/zinc/05/56/88/527055688.db2.gz WNFWDNZXHDSPNL-UHFFFAOYSA-N 0 0 258.325 1.314 10 70 CDIERN CCCCn1ncc(C(=O)NCc2ccnn2C)c1C ZINC000161460693 529096515 /nfs/dbraw/zinc/09/65/15/529096515.db2.gz HLQYROORXCWJSY-UHFFFAOYSA-N 0 0 275.356 1.655 10 70 CDIERN Cc1ccc(NC(=O)NC[C@@]2(CCO)CCOC2)cn1 ZINC000161420269 539117700 /nfs/dbraw/zinc/11/77/00/539117700.db2.gz UEVXLEIQRPBTES-CQSZACIVSA-N 0 0 279.340 1.301 10 70 CDIERN CC[C@@H](NC(=O)NCCn1cccn1)c1nccs1 ZINC000160042619 345574691 /nfs/dbraw/zinc/57/46/91/345574691.db2.gz XWSNJAKHHYHLMO-SNVBAGLBSA-N 0 0 279.369 1.790 10 70 CDIERN CCC(CC)C(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000159885387 363405984 /nfs/dbraw/zinc/40/59/84/363405984.db2.gz QMMFHSGNODQPGW-UHFFFAOYSA-N 0 0 261.387 1.458 10 70 CDIERN CC(C)CC[C@@H]1CCC(=O)N(CCC(N)=O)C1=O ZINC000160120445 363676036 /nfs/dbraw/zinc/67/60/36/363676036.db2.gz WIJYLELGXURRAC-SNVBAGLBSA-N 0 0 254.330 1.063 10 70 CDIERN CCCS(=O)(=O)CCN1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161105304 360913290 /nfs/dbraw/zinc/91/32/90/360913290.db2.gz MRHXSKYCPQVMTM-ZIAGYGMSSA-N 0 0 289.441 1.438 10 70 CDIERN Cc1cc(CC(=O)NCc2nc3c(cccc3C)[nH]2)n[nH]1 ZINC000160240894 363790294 /nfs/dbraw/zinc/79/02/94/363790294.db2.gz KZSFVJCQCBYMTM-UHFFFAOYSA-N 0 0 283.335 1.762 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)NCC(O)(CC)CC ZINC000160398091 363845181 /nfs/dbraw/zinc/84/51/81/363845181.db2.gz NTVMUDFOGBABKJ-UHFFFAOYSA-N 0 0 297.355 1.151 10 70 CDIERN C[C@H](Cc1ccc(O)cc1)N(C)C(=O)Cn1cccn1 ZINC000160496966 363943806 /nfs/dbraw/zinc/94/38/06/363943806.db2.gz NYUGRAWURRJKIG-GFCCVEGCSA-N 0 0 273.336 1.678 10 70 CDIERN Cc1cc(C[C@H](C)NC(=O)Nc2nnc3ccccn32)[nH]n1 ZINC000159787651 364265410 /nfs/dbraw/zinc/26/54/10/364265410.db2.gz BYBVTVGRRAEASA-VIFPVBQESA-N 0 0 299.338 1.514 10 70 CDIERN COc1ccc2c(CC(=O)N(C)[C@H](C)CO)coc2c1 ZINC000160461034 364355841 /nfs/dbraw/zinc/35/58/41/364355841.db2.gz CQBKNKHEMHAUAB-SNVBAGLBSA-N 0 0 277.320 1.823 10 70 CDIERN CCOC(=O)[C@@H]1CC[C@H](NC(=O)Cc2cccc(O)c2)C1 ZINC000160588971 364379208 /nfs/dbraw/zinc/37/92/08/364379208.db2.gz INWYECHPPNWDBV-OLZOCXBDSA-N 0 0 291.347 1.783 10 70 CDIERN CCCCO[C@H](C)C(=O)N[C@H](C)Cc1cc(C)n[nH]1 ZINC000161145170 364455221 /nfs/dbraw/zinc/45/52/21/364455221.db2.gz ARGAUEPVWFPARC-ZYHUDNBSSA-N 0 0 267.373 1.971 10 70 CDIERN CC(C)n1nccc1C(=O)N(C)C[C@H]1CCCO1 ZINC000160879724 364422276 /nfs/dbraw/zinc/42/22/76/364422276.db2.gz RIIPIPPDUUUSBQ-LLVKDONJSA-N 0 0 251.330 1.715 10 70 CDIERN O=C(CNC(=O)c1cccnc1)N1CCCCCCC1 ZINC000161220204 364465471 /nfs/dbraw/zinc/46/54/71/364465471.db2.gz SESSYPJSSAATRZ-UHFFFAOYSA-N 0 0 275.352 1.604 10 70 CDIERN CCOCC(=O)N1CCO[C@H](c2cccs2)C1 ZINC000161293398 364475224 /nfs/dbraw/zinc/47/52/24/364475224.db2.gz PLAPPYWVSSRCDY-JTQLQIEISA-N 0 0 255.339 1.685 10 70 CDIERN CNC(=O)c1cccnc1N[C@@H]1CCOC(C)(C)C1 ZINC000160649770 377099668 /nfs/dbraw/zinc/09/96/68/377099668.db2.gz ZRDKLCHAJSMCFB-SNVBAGLBSA-N 0 0 263.341 1.811 10 70 CDIERN Cc1cc(C(=O)NCc2cnn(-c3ccccc3)c2)ncn1 ZINC000161371489 377601635 /nfs/dbraw/zinc/60/16/35/377601635.db2.gz XDNYWODSTFZTFT-UHFFFAOYSA-N 0 0 293.330 1.901 10 70 CDIERN C[C@@H](O)C1CCN(C(=O)N[C@@H](C)CC2CC2)CC1 ZINC000159843180 533580695 /nfs/dbraw/zinc/58/06/95/533580695.db2.gz PSDPXLGSIDODQS-WDEREUQCSA-N 0 0 254.374 1.977 10 70 CDIERN C[C@H](Oc1cccc(CO)c1)C(=O)N[C@H]1CCCC[C@@H]1O ZINC000159806401 139905773 /nfs/dbraw/zinc/90/57/73/139905773.db2.gz GZZKGTKCVDIOMH-CQDKDKBSSA-N 0 0 293.363 1.366 10 70 CDIERN Cn1cnc2cc(C(=O)N3CCC[C@H]3C(C)(C)O)cnc21 ZINC000160930203 279876445 /nfs/dbraw/zinc/87/64/45/279876445.db2.gz ULBUSJWVQZGXIL-LBPRGKRZSA-N 0 0 288.351 1.344 10 70 CDIERN Cc1ccc(C[C@@H](C)N(C)S(=O)(=O)c2c[nH]cn2)cc1 ZINC000159797093 292769403 /nfs/dbraw/zinc/76/94/03/292769403.db2.gz TYXXBACOIAYICV-GFCCVEGCSA-N 0 0 293.392 1.970 10 70 CDIERN CCOc1ncccc1CNC(=O)N(C[C@@H](C)O)C(C)C ZINC000160123836 292777874 /nfs/dbraw/zinc/77/78/74/292777874.db2.gz HWTJQMJUTGOLCJ-GFCCVEGCSA-N 0 0 295.383 1.781 10 70 CDIERN CC(C)(C)CCS(=O)(=O)N[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000160216639 292780701 /nfs/dbraw/zinc/78/07/01/292780701.db2.gz AUNGGDBTTFFDJS-MNOVXSKESA-N 0 0 290.429 1.386 10 70 CDIERN CCOc1ccc(OCCCC(=O)NC2(CO)CC2)cc1 ZINC000160223151 292780705 /nfs/dbraw/zinc/78/07/05/292780705.db2.gz ZZJRRXGDCORYMY-UHFFFAOYSA-N 0 0 293.363 1.885 10 70 CDIERN O=C(NC1(CO)CC1)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000160341326 292784568 /nfs/dbraw/zinc/78/45/68/292784568.db2.gz PPJOBWRXILKPQX-UWVGGRQHSA-N 0 0 267.275 1.709 10 70 CDIERN COC(=O)c1cccc(NC(=O)NC2(CO)CC2)c1 ZINC000160740366 292793451 /nfs/dbraw/zinc/79/34/51/292793451.db2.gz XWDLYAZBBIBNAZ-UHFFFAOYSA-N 0 0 264.281 1.120 10 70 CDIERN Cc1cnn(Cc2cc(C(=O)Nc3ccn(C)n3)no2)c1 ZINC000160762777 292794302 /nfs/dbraw/zinc/79/43/02/292794302.db2.gz URXXIZVIDZDXFW-UHFFFAOYSA-N 0 0 286.295 1.214 10 70 CDIERN Cc1ccc([S@](=O)C[C@@H](C)CS(C)(=O)=O)cc1 ZINC000161034364 292798515 /nfs/dbraw/zinc/79/85/15/292798515.db2.gz ZTLIHJANNFHZIV-BZNIZROVSA-N 0 0 274.407 1.783 10 70 CDIERN COC(=O)CCCCNC(=O)Cc1c(C)noc1Cl ZINC000161316590 292803804 /nfs/dbraw/zinc/80/38/04/292803804.db2.gz JYYQAHBHPMYRDU-UHFFFAOYSA-N 0 0 288.731 1.638 10 70 CDIERN CCC[C@@H](NC(=O)[C@H](C)COC)C(=O)OC(C)(C)C ZINC000161430827 520748546 /nfs/dbraw/zinc/74/85/46/520748546.db2.gz GJPUTNSXONZYQZ-GHMZBOCLSA-N 0 0 273.373 1.896 10 70 CDIERN CC(C)CNC(=O)N1CCCC[C@H]1[C@@H]1CNC(=O)C1 ZINC000160672938 519735973 /nfs/dbraw/zinc/73/59/73/519735973.db2.gz ASBRLXHPKRRUQC-RYUDHWBXSA-N 0 0 267.373 1.343 10 70 CDIERN CCNC(=O)c1ccc(NCC(C)(C)OCC)nn1 ZINC000159516904 519896487 /nfs/dbraw/zinc/89/64/87/519896487.db2.gz JSVYPZULAYENIU-UHFFFAOYSA-N 0 0 266.345 1.453 10 70 CDIERN CCOC(=O)C[C@H](C)NC(=O)c1ncccc1OCC ZINC000160737122 520881956 /nfs/dbraw/zinc/88/19/56/520881956.db2.gz FCYHFRSFNBQPMG-JTQLQIEISA-N 0 0 280.324 1.552 10 70 CDIERN COc1ccccc1N1CC[C@H](NC(=O)C[C@H](C)OC)C1 ZINC000161064868 524574810 /nfs/dbraw/zinc/57/48/10/524574810.db2.gz KPDXCNZAARHBGU-STQMWFEESA-N 0 0 292.379 1.815 10 70 CDIERN Cc1ccn(-c2ccccc2NC(=O)CCc2nnc[nH]2)n1 ZINC000161203168 525563092 /nfs/dbraw/zinc/56/30/92/525563092.db2.gz IAWWTBUCBGMBMB-UHFFFAOYSA-N 0 0 296.334 1.870 10 70 CDIERN Cc1nc(C(=O)Nc2ccc(N(C)C)nc2)c(=O)[nH]c1C ZINC000159517803 361801626 /nfs/dbraw/zinc/80/16/26/361801626.db2.gz RSQOFTBYDQJACK-UHFFFAOYSA-N 0 0 287.323 1.100 10 70 CDIERN O=C(NC1CC=CC1)[C@@H]1CSCN1C(=O)C1CCCC1 ZINC000161056189 539117162 /nfs/dbraw/zinc/11/71/62/539117162.db2.gz HHJCENORKJMGDF-ZDUSSCGKSA-N 0 0 294.420 1.913 10 70 CDIERN O=C(Nc1nnc(C2CC2)s1)NC1(CO)CC1 ZINC000160043518 342370375 /nfs/dbraw/zinc/37/03/75/342370375.db2.gz UTWZOUZCBPSWBI-UHFFFAOYSA-N 0 0 254.315 1.062 10 70 CDIERN C[C@@H](NC(=O)c1cc(=O)c2ccccc2[nH]1)[C@H](C)CO ZINC000160414412 362422792 /nfs/dbraw/zinc/42/27/92/362422792.db2.gz WTEIUUWPZAKNQW-NXEZZACHSA-N 0 0 274.320 1.275 10 70 CDIERN Cn1ncc2c1ncnc2N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160651247 362460771 /nfs/dbraw/zinc/46/07/71/362460771.db2.gz YZTPHLQOAUCABQ-IAQYHMDHSA-N 0 0 287.367 1.495 10 70 CDIERN COC(=O)C1(N(C)Cc2nnc(C)n2C2CC2)CCCC1 ZINC000159487371 345078541 /nfs/dbraw/zinc/07/85/41/345078541.db2.gz MXVFNIDXTZVRBN-UHFFFAOYSA-N 0 0 292.383 1.839 10 70 CDIERN COc1ccccc1N1CC[C@@H](NC(=O)c2ccon2)C1 ZINC000161044226 188504392 /nfs/dbraw/zinc/50/43/92/188504392.db2.gz UZUGJGQNPQHRRI-LLVKDONJSA-N 0 0 287.319 1.692 10 70 CDIERN CCCCN(C)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000161116749 188508732 /nfs/dbraw/zinc/50/87/32/188508732.db2.gz HTYZKKOBAMCAAZ-JTQLQIEISA-N 0 0 251.334 1.034 10 70 CDIERN Cc1nc(C)c(CCNC(=O)C[C@@H](O)C(C)C)s1 ZINC000159472784 358608359 /nfs/dbraw/zinc/60/83/59/358608359.db2.gz MNHAWPFHTNSKTE-LLVKDONJSA-N 0 0 270.398 1.826 10 70 CDIERN O=C(NC1(CO)CC1)c1cc(-c2ccccc2)n[nH]1 ZINC000159835474 237159687 /nfs/dbraw/zinc/15/96/87/237159687.db2.gz BNTNGSKIOQXLNS-UHFFFAOYSA-N 0 0 257.293 1.331 10 70 CDIERN C[C@H]1OCCN(C(=O)c2cnc3c(c2)ncn3C)[C@H]1C ZINC000160859846 291204184 /nfs/dbraw/zinc/20/41/84/291204184.db2.gz NTMQHPWGNTZAQT-VHSXEESVSA-N 0 0 274.324 1.218 10 70 CDIERN O=C(NC1(CO)CC1)c1cccc(OC[C@H]2CCCO2)c1 ZINC000160224350 363772803 /nfs/dbraw/zinc/77/28/03/363772803.db2.gz UBECHMNMWBUIJV-CQSZACIVSA-N 0 0 291.347 1.499 10 70 CDIERN O=C(NC1(CO)CC1)[C@@H]1COc2ccc(Cl)cc2C1 ZINC000160412918 363854665 /nfs/dbraw/zinc/85/46/65/363854665.db2.gz PGHIQTMSUGKGBM-JTQLQIEISA-N 0 0 281.739 1.532 10 70 CDIERN CCCN(CC(=O)N(C)C)C(=O)NC1CCCCC1 ZINC000160429524 363859189 /nfs/dbraw/zinc/85/91/89/363859189.db2.gz KPFTWKIMUHSGSK-UHFFFAOYSA-N 0 0 269.389 1.829 10 70 CDIERN Cc1nc2cc(NC(=O)N3CCNC(=O)[C@@H]3C)ccc2o1 ZINC000159485424 364216777 /nfs/dbraw/zinc/21/67/77/364216777.db2.gz HFVVMLPKHRFBIJ-QMMMGPOBSA-N 0 0 288.307 1.488 10 70 CDIERN Cc1n[nH]c(C)c1CC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160402852 365001019 /nfs/dbraw/zinc/00/10/19/365001019.db2.gz OPCWSFRMXFILBS-CZUORRHYSA-N 0 0 291.395 1.723 10 70 CDIERN CN1CCC[C@H]1C[NH2+]Cc1cnc2ccccc2n1 ZINC000218234508 364995552 /nfs/dbraw/zinc/99/55/52/364995552.db2.gz HRCMMDYYFAMYNB-ZDUSSCGKSA-N 0 0 256.353 1.814 10 70 CDIERN COC(=O)[C@H](N[C@@H]1CCC(=O)N(C)C1)c1ccccc1 ZINC000161207875 367606837 /nfs/dbraw/zinc/60/68/37/367606837.db2.gz VTFYRPQFFRUECY-TZMCWYRMSA-N 0 0 276.336 1.111 10 70 CDIERN Cc1cncc(C(=O)N2CCS(=O)(=O)C(C)(C)C2)c1 ZINC000160106993 375725215 /nfs/dbraw/zinc/72/52/15/375725215.db2.gz BJUBVVFLRGZCOW-UHFFFAOYSA-N 0 0 282.365 1.039 10 70 CDIERN CC[C@@H](N[C@@H](C)C(=O)NC(=O)NC(C)C)c1nccs1 ZINC000161060596 377128065 /nfs/dbraw/zinc/12/80/65/377128065.db2.gz ZTWYWFAQJZACKE-VHSXEESVSA-N 0 0 298.412 1.807 10 70 CDIERN COc1cccc(CNC(=O)N2CCC[C@@](C)(O)C2)n1 ZINC000161360774 377187876 /nfs/dbraw/zinc/18/78/76/377187876.db2.gz DOAUIYCRXVRBJY-CQSZACIVSA-N 0 0 279.340 1.147 10 70 CDIERN Cc1[nH]nc(C(C)C)c1C(=O)N[C@H]1CCC[C@@H]1O ZINC000159916756 377333594 /nfs/dbraw/zinc/33/35/94/377333594.db2.gz XAJLSFPTLPYUGD-UWVGGRQHSA-N 0 0 251.330 1.485 10 70 CDIERN CCOc1ncccc1C(=O)N[C@H](C)Cc1cc(C)n[nH]1 ZINC000161461632 377651264 /nfs/dbraw/zinc/65/12/64/377651264.db2.gz DLWFVPGSIMQBRN-SNVBAGLBSA-N 0 0 288.351 1.873 10 70 CDIERN Brc1cncnc1N1CCOC[C@H]1C1CC1 ZINC000159680218 390976128 /nfs/dbraw/zinc/97/61/28/390976128.db2.gz HXIRUOCTMGCWBN-JTQLQIEISA-N 0 0 284.157 1.854 10 70 CDIERN Cc1nc(N)nc(N[C@@H]2CCOc3ccccc32)n1 ZINC000218317221 414115326 /nfs/dbraw/zinc/11/53/26/414115326.db2.gz KRDMGWARWLPLRW-SNVBAGLBSA-N 0 0 257.297 1.698 10 70 CDIERN CC1(C)C[C@H](NC(=O)c2ccc(=O)[nH]n2)c2ccccc2O1 ZINC000159742031 275866670 /nfs/dbraw/zinc/86/66/70/275866670.db2.gz QIGFPYVWROUJNQ-LBPRGKRZSA-N 0 0 299.330 1.802 10 70 CDIERN CC(C)[C@@H]1C(=O)NCCN1c1nc(C(C)(C)C)ns1 ZINC000160150281 279942257 /nfs/dbraw/zinc/94/22/57/279942257.db2.gz MNMYCKCSKNPWCD-SECBINFHSA-N 0 0 282.413 1.796 10 70 CDIERN Cc1cc(OCC(=O)Nc2ccc3c(c2)OCO3)nn1C ZINC000159750453 292768202 /nfs/dbraw/zinc/76/82/02/292768202.db2.gz WOHQNFGKDCKEAI-UHFFFAOYSA-N 0 0 289.291 1.475 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)NCc1ccco1 ZINC000159939751 292774289 /nfs/dbraw/zinc/77/42/89/292774289.db2.gz OEKWEMKUKPARFG-UHFFFAOYSA-N 0 0 277.280 1.393 10 70 CDIERN COC[C@H](O)CCNC(=O)Nc1cccc([C@H](C)OC)c1 ZINC000160973210 292797540 /nfs/dbraw/zinc/79/75/40/292797540.db2.gz BWRBDPCCPGUUNG-SMDDNHRTSA-N 0 0 296.367 1.913 10 70 CDIERN CCCCOC(=O)CN1CCC[C@@H](c2nncn2CC)C1 ZINC000161419251 520708869 /nfs/dbraw/zinc/70/88/69/520708869.db2.gz IVVIXJLLEBLAKX-CYBMUJFWSA-N 0 0 294.399 1.821 10 70 CDIERN CCn1cnnc1[C@H]1CCCN(CC(=O)NC(C)(C)C)C1 ZINC000161318882 523603969 /nfs/dbraw/zinc/60/39/69/523603969.db2.gz XHQAZKKICPVFJI-LBPRGKRZSA-N 0 0 293.415 1.392 10 70 CDIERN O=C(c1cn[nH]c1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000161364430 526868110 /nfs/dbraw/zinc/86/81/10/526868110.db2.gz KNHWQBPOAHRZMX-GFCCVEGCSA-N 0 0 258.281 1.098 10 70 CDIERN CNc1ncc(C(=O)N2CC[C@@H](c3cnn(C)c3)C2)s1 ZINC000160328734 536423438 /nfs/dbraw/zinc/42/34/38/536423438.db2.gz FCQRGJBBSQITLJ-SECBINFHSA-N 0 0 291.380 1.548 10 70 CDIERN CCN1CCO[C@@H](CNc2nc3ccccc3[nH]2)C1 ZINC000161084188 539117174 /nfs/dbraw/zinc/11/71/74/539117174.db2.gz VAABBCFCNNLRLV-NSHDSACASA-N 0 0 260.341 1.696 10 70 CDIERN CC(C)OC(=O)CCCNC(=O)N(C)Cc1cnccn1 ZINC000160036388 362007923 /nfs/dbraw/zinc/00/79/23/362007923.db2.gz TVIQWFSJBJZHDH-UHFFFAOYSA-N 0 0 294.355 1.350 10 70 CDIERN CC(C)OC(=O)CCCNC(=O)NC[C@@H]1CCC[C@H]1O ZINC000160174766 362044925 /nfs/dbraw/zinc/04/49/25/362044925.db2.gz RSPBBXRIJKKEBZ-NWDGAFQWSA-N 0 0 286.372 1.178 10 70 CDIERN Cn1ccnc1CN1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000160826619 362184650 /nfs/dbraw/zinc/18/46/50/362184650.db2.gz OLTMALNRNRKWJG-CQSZACIVSA-N 0 0 284.363 1.483 10 70 CDIERN Cc1noc(CCC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)n1 ZINC000160462956 362428907 /nfs/dbraw/zinc/42/89/07/362428907.db2.gz PGBHARMAIDAXHG-DOMZBBRYSA-N 0 0 293.367 1.464 10 70 CDIERN C[C@H](C[S@](=O)c1ccc(F)cc1)CS(C)(=O)=O ZINC000161036116 362504919 /nfs/dbraw/zinc/50/49/19/362504919.db2.gz ZJWBAJVNWNMJMF-JDNHERCYSA-N 0 0 278.370 1.614 10 70 CDIERN COc1ccc(OCC(=O)N[C@H](C)[C@H](C)CO)cc1 ZINC000160268309 188462592 /nfs/dbraw/zinc/46/25/92/188462592.db2.gz JUBUYVFLTYLQLU-GHMZBOCLSA-N 0 0 267.325 1.207 10 70 CDIERN C[C@@H](CSCc1noc(C2CC2)n1)CS(C)(=O)=O ZINC000159822340 363352962 /nfs/dbraw/zinc/35/29/62/363352962.db2.gz KTUCLFVWPWMFDV-QMMMGPOBSA-N 0 0 290.410 1.861 10 70 CDIERN COC[C@@H](O)CCNC(=O)CSc1ccccc1C ZINC000160783356 356618376 /nfs/dbraw/zinc/61/83/76/356618376.db2.gz QWELVMSRJCGBLX-LBPRGKRZSA-N 0 0 283.393 1.601 10 70 CDIERN CC(C)[C@@H](SCCN1CCOCC1)C(=O)N(C)C ZINC000160029872 363594586 /nfs/dbraw/zinc/59/45/86/363594586.db2.gz AJRUNIKFYMAYRZ-GFCCVEGCSA-N 0 0 274.430 1.165 10 70 CDIERN C[C@@H](O)c1cc2n(n1)CCN(Cc1cccnc1)C2 ZINC000218565276 359058432 /nfs/dbraw/zinc/05/84/32/359058432.db2.gz VYNDDBUAHIFAJG-LLVKDONJSA-N 0 0 258.325 1.347 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)N(C)Cc1ccco1 ZINC000160157405 363691404 /nfs/dbraw/zinc/69/14/04/363691404.db2.gz VVRRWYJMKNRGLL-UHFFFAOYSA-N 0 0 291.307 1.736 10 70 CDIERN CCC(CC)CS(=O)(=O)N[C@H]1CCC[C@H](C(N)=O)C1 ZINC000160199163 363750651 /nfs/dbraw/zinc/75/06/51/363750651.db2.gz BNECHNCFLJQYNN-RYUDHWBXSA-N 0 0 290.429 1.386 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)N(C)[C@H](C)C1CC1 ZINC000160201427 363750886 /nfs/dbraw/zinc/75/08/86/363750886.db2.gz KFJVSCWBCQDKGI-MRVPVSSYSA-N 0 0 279.340 1.741 10 70 CDIERN CC[C@H](C)OCC(=O)N1CC(OCCCOC)C1 ZINC000160317494 363814525 /nfs/dbraw/zinc/81/45/25/363814525.db2.gz FGUJVIMQHSZMIR-NSHDSACASA-N 0 0 259.346 1.065 10 70 CDIERN COc1ccc(S[C@@H](C)C(=O)NC2(CO)CC2)cc1 ZINC000160349957 363820772 /nfs/dbraw/zinc/82/07/72/363820772.db2.gz JIPZCOWKEYZLEH-JTQLQIEISA-N 0 0 281.377 1.817 10 70 CDIERN CCCC(=O)NCC(=O)N[C@H](CC)c1c(C)noc1C ZINC000160341121 363823583 /nfs/dbraw/zinc/82/35/83/363823583.db2.gz LUQAHISFSJBVGI-LLVKDONJSA-N 0 0 281.356 1.775 10 70 CDIERN Cc1cc(NS(=O)(=O)N2CCC[C@H](C)C2)c[nH]c1=O ZINC000160474363 363901622 /nfs/dbraw/zinc/90/16/22/363901622.db2.gz RJTLSLGFZRKZDS-VIFPVBQESA-N 0 0 285.369 1.072 10 70 CDIERN C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)c1cn[nH]c1 ZINC000160548340 363984620 /nfs/dbraw/zinc/98/46/20/363984620.db2.gz YVNSRGUPDOJKOM-JTQLQIEISA-N 0 0 259.309 1.819 10 70 CDIERN C[C@@H](CO)N(C)C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000160439499 364353832 /nfs/dbraw/zinc/35/38/32/364353832.db2.gz YNAVCFBWXCWCKT-BIMULSAOSA-N 0 0 251.301 1.768 10 70 CDIERN CCc1cc(NC(=O)N[C@@H](C)Cc2cc(C)n[nH]2)n(C)n1 ZINC000160422692 364350565 /nfs/dbraw/zinc/35/05/65/364350565.db2.gz PWRNVBJJOZADGD-VIFPVBQESA-N 0 0 290.371 1.767 10 70 CDIERN Cc1cc(C[C@@H](C)NC(=O)[C@H]2COc3ccccc32)[nH]n1 ZINC000161317182 364477346 /nfs/dbraw/zinc/47/73/46/364477346.db2.gz CXYCFGQZGPTIJS-YGRLFVJLSA-N 0 0 285.347 1.942 10 70 CDIERN O=C(N[C@@H]1CCO[C@H](C2CC2)C1)N[C@@H]1CCCC[C@@H]1O ZINC000160535508 370293779 /nfs/dbraw/zinc/29/37/79/370293779.db2.gz KNBAVNOMKPGVMY-MQYQWHSLSA-N 0 0 282.384 1.547 10 70 CDIERN Cc1n[nH]c(C)c1CC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160402993 139910838 /nfs/dbraw/zinc/91/08/38/139910838.db2.gz OPCWSFRMXFILBS-CJNGLKHVSA-N 0 0 291.395 1.723 10 70 CDIERN COC(=O)CCNC(=O)[C@]1(C)CCCc2ccccc21 ZINC000159582626 292762396 /nfs/dbraw/zinc/76/23/96/292762396.db2.gz QXVOHKNBUGELIY-MRXNPFEDSA-N 0 0 275.348 1.960 10 70 CDIERN C[C@@H]1C[C@H](C)CN(C(=O)Cn2cnn(C(C)(C)C)c2=O)C1 ZINC000159618528 292762973 /nfs/dbraw/zinc/76/29/73/292762973.db2.gz VKGVDGZNFSOFOB-TXEJJXNPSA-N 0 0 294.399 1.304 10 70 CDIERN CCN(Cc1cc[nH]n1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000159916636 292773651 /nfs/dbraw/zinc/77/36/51/292773651.db2.gz QSAGCQLISLQAJZ-UHFFFAOYSA-N 0 0 283.335 1.668 10 70 CDIERN COc1cccc([C@@H]2C[C@H]2C(=O)NC2(CO)CC2)c1 ZINC000160319649 292783794 /nfs/dbraw/zinc/78/37/94/292783794.db2.gz LCRUUCSVXODRQM-QWHCGFSZSA-N 0 0 261.321 1.440 10 70 CDIERN Cc1ccn(-c2ccccc2NC(=O)[C@H]2CCC(=O)NC2)n1 ZINC000161344208 292804560 /nfs/dbraw/zinc/80/45/60/292804560.db2.gz IIJFLDAZZGKMGP-LBPRGKRZSA-N 0 0 298.346 1.645 10 70 CDIERN CCCC(O)(CCC)CC(=O)NC[C@H]1CN(C)CCO1 ZINC000161032071 519885418 /nfs/dbraw/zinc/88/54/18/519885418.db2.gz DHHLNEQMCUPSSH-ZDUSSCGKSA-N 0 0 286.416 1.155 10 70 CDIERN CCCCOC(=O)CCN1CCOC[C@@H]1c1nc(C)no1 ZINC000160986238 520706626 /nfs/dbraw/zinc/70/66/26/520706626.db2.gz NZTKNTRBHWAAKP-GFCCVEGCSA-N 0 0 297.355 1.485 10 70 CDIERN Cc1conc1NC(=O)C(=O)NC[C@H]1C[C@@H]1c1ccccc1 ZINC000161150004 526297118 /nfs/dbraw/zinc/29/71/18/526297118.db2.gz SFBMRHFLTNDXPC-CHWSQXEVSA-N 0 0 299.330 1.841 10 70 CDIERN C[C@@H](CO)[C@H](C)NC(=O)CCOc1cccc(F)c1 ZINC000160321107 539115653 /nfs/dbraw/zinc/11/56/53/539115653.db2.gz UXEXTLWCFTUXSL-QWRGUYRKSA-N 0 0 269.316 1.728 10 70 CDIERN O=C(C[C@H]1CCOc2ccccc21)NC1(CO)CC1 ZINC000160267542 539115687 /nfs/dbraw/zinc/11/56/87/539115687.db2.gz WHYRAYFPXFMQTC-LLVKDONJSA-N 0 0 261.321 1.584 10 70 CDIERN CCc1cc(C)c(C(=O)Nc2cccc(C(N)=O)n2)o1 ZINC000160302967 529525063 /nfs/dbraw/zinc/52/50/63/529525063.db2.gz HTOGDIYGOIACHO-UHFFFAOYSA-N 0 0 273.292 1.897 10 70 CDIERN CCOC(=O)C[C@@H](C)NC(=O)[C@H](C)c1cccnc1 ZINC000160059058 362014312 /nfs/dbraw/zinc/01/43/12/362014312.db2.gz VRJCBANJKITTRL-GHMZBOCLSA-N 0 0 264.325 1.643 10 70 CDIERN O=C(CNC(=O)c1cccnc1)Nc1cc(F)cc(F)c1 ZINC000160251059 362081823 /nfs/dbraw/zinc/08/18/23/362081823.db2.gz ZPPYMKGXFAYHLY-UHFFFAOYSA-N 0 0 291.257 1.728 10 70 CDIERN CCOC(=O)C(C)(C)c1nc(C2(OC)CCOCC2)no1 ZINC000160022089 362387851 /nfs/dbraw/zinc/38/78/51/362387851.db2.gz HLEHASYLQPPHRH-UHFFFAOYSA-N 0 0 298.339 1.562 10 70 CDIERN CC[C@H](CCO)NC(=O)c1cc(=O)c2ccccc2[nH]1 ZINC000160092431 362394252 /nfs/dbraw/zinc/39/42/52/362394252.db2.gz MOJMHDXTYFQSQC-SNVBAGLBSA-N 0 0 274.320 1.419 10 70 CDIERN C[C@H]1SCCN(C(=O)c2cnc3c(c2)ncn3C)[C@H]1C ZINC000159866357 362546643 /nfs/dbraw/zinc/54/66/43/362546643.db2.gz HJOCBMOMRVJKFB-VHSXEESVSA-N 0 0 290.392 1.934 10 70 CDIERN C[C@H](Sc1ccncc1)C(=O)N(C)CC(=O)NC1CC1 ZINC000160029701 188451869 /nfs/dbraw/zinc/45/18/69/188451869.db2.gz XADVPAJYXXFNSF-JTQLQIEISA-N 0 0 293.392 1.299 10 70 CDIERN C[C@@H](CO)[C@@H](C)NC(=O)c1cc(F)c(F)c(F)c1F ZINC000160338185 188467348 /nfs/dbraw/zinc/46/73/48/188467348.db2.gz PFZKZVXPEIOHCG-NTSWFWBYSA-N 0 0 279.233 1.990 10 70 CDIERN O=C(NC1(CO)CC1)c1ccnc(OCc2ccccc2)c1 ZINC000160558529 364006080 /nfs/dbraw/zinc/00/60/80/364006080.db2.gz PXZHQDKCZANEDC-UHFFFAOYSA-N 0 0 298.342 1.915 10 70 CDIERN CC(C)(C)c1nc(CCNC(=O)Cn2ccnc2)cs1 ZINC000160640474 364111309 /nfs/dbraw/zinc/11/13/09/364111309.db2.gz YSOYKLNGYVWWGQ-UHFFFAOYSA-N 0 0 292.408 1.996 10 70 CDIERN Cc1nc2cc(NC(=O)N(CCO)CCCO)ccc2o1 ZINC000159457516 364210978 /nfs/dbraw/zinc/21/09/78/364210978.db2.gz LMNBPLXNECSDTN-UHFFFAOYSA-N 0 0 293.323 1.345 10 70 CDIERN O[C@H](C[C@H]1COCCN1Cc1ccon1)c1ccco1 ZINC000159365397 364191882 /nfs/dbraw/zinc/19/18/82/364191882.db2.gz SIRCZTRAHFAKQN-QWHCGFSZSA-N 0 0 278.308 1.592 10 70 CDIERN O=C(NC[C@@H]1CCC[C@H]1O)c1cccc2[nH]cnc21 ZINC000159726970 364257963 /nfs/dbraw/zinc/25/79/63/364257963.db2.gz LSCRJSCAAWPBPR-JOYOIKCWSA-N 0 0 259.309 1.454 10 70 CDIERN CCCN(CCC)C(=O)COc1cc(C)n(C)n1 ZINC000159741633 364261015 /nfs/dbraw/zinc/26/10/15/364261015.db2.gz JKABMNATFZBWRT-UHFFFAOYSA-N 0 0 253.346 1.756 10 70 CDIERN C[C@@H]1CN(C[C@H](O)CCc2ccccc2)CCS1(=O)=O ZINC000159527190 364228581 /nfs/dbraw/zinc/22/85/81/364228581.db2.gz GQYZEXDKBKEKJH-UKRRQHHQSA-N 0 0 297.420 1.099 10 70 CDIERN CCCCOC(=O)[C@H](C)N1CCN(c2cccnn2)CC1 ZINC000160168901 364313863 /nfs/dbraw/zinc/31/38/63/364313863.db2.gz PDEWZLLNCUISTI-ZDUSSCGKSA-N 0 0 292.383 1.330 10 70 CDIERN C[C@H]1CN(c2ccc3ccccc3n2)CCS1(=O)=O ZINC000160744356 364404002 /nfs/dbraw/zinc/40/40/02/364404002.db2.gz MQTBXJBYMXZZRH-NSHDSACASA-N 0 0 276.361 1.858 10 70 CDIERN Cc1ccc([C@@H](C)NC(=O)CS(=O)(=O)C(C)(C)C)o1 ZINC000160393523 364345505 /nfs/dbraw/zinc/34/55/05/364345505.db2.gz XEPXJAMHAXCKPT-SNVBAGLBSA-N 0 0 287.381 1.979 10 70 CDIERN Cc1cc(C[C@@H](C)NC(=O)[C@@H](C)Oc2cccnc2)[nH]n1 ZINC000161173809 364459315 /nfs/dbraw/zinc/45/93/15/364459315.db2.gz MLFIMDNSZWSHBJ-ZYHUDNBSSA-N 0 0 288.351 1.628 10 70 CDIERN CSCCN(C)C(=O)c1cnc2c(c1)ncn2C ZINC000160774128 377115773 /nfs/dbraw/zinc/11/57/73/377115773.db2.gz DDFBIVAXLVHJMH-UHFFFAOYSA-N 0 0 264.354 1.403 10 70 CDIERN CCC(CC)CNC(=O)N1CCO[C@H](C(=O)OC)C1 ZINC000160598928 377088822 /nfs/dbraw/zinc/08/88/22/377088822.db2.gz VYTLYPXPLRQTLA-NSHDSACASA-N 0 0 272.345 1.006 10 70 CDIERN CCc1ncc(NC(=O)N(C)CC(=O)NC(C)(C)C)cn1 ZINC000161197383 377160924 /nfs/dbraw/zinc/16/09/24/377160924.db2.gz WFJHEOAGSHAWHH-UHFFFAOYSA-N 0 0 293.371 1.417 10 70 CDIERN COc1ccc(-n2ccc(C(=O)NC3(CO)CC3)n2)cc1 ZINC000160247261 292782000 /nfs/dbraw/zinc/78/20/00/292782000.db2.gz FFCXACKGZQNUQM-UHFFFAOYSA-N 0 0 287.319 1.136 10 70 CDIERN CC1(C)CCC[C@H](CC(=O)N[C@@H]2CCC(=O)NC2=O)C1 ZINC000160695242 292793003 /nfs/dbraw/zinc/79/30/03/292793003.db2.gz OYQKEXFCJJXQJK-GHMZBOCLSA-N 0 0 280.368 1.514 10 70 CDIERN CCSc1cccc(C(=O)NC2(C(N)=O)CC2)c1 ZINC000160912202 292796229 /nfs/dbraw/zinc/79/62/29/292796229.db2.gz SPTNCYWSLKSCIO-UHFFFAOYSA-N 0 0 264.350 1.546 10 70 CDIERN Cc1cccc(CNC(=O)CS(=O)(=O)C(C)(C)C)n1 ZINC000161202196 292801905 /nfs/dbraw/zinc/80/19/05/292801905.db2.gz PJBWDXNUTRJRMO-UHFFFAOYSA-N 0 0 284.381 1.220 10 70 CDIERN CCCCN(CC)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000160989009 520465736 /nfs/dbraw/zinc/46/57/36/520465736.db2.gz SJMVQRBDZRGZLT-LLVKDONJSA-N 0 0 265.361 1.425 10 70 CDIERN CCC[C@H](NC(=O)[C@@H](C)OC)C(=O)OC(C)(C)C ZINC000161476290 521135661 /nfs/dbraw/zinc/13/56/61/521135661.db2.gz ZZAPKWCEWHYDBZ-ZJUUUORDSA-N 0 0 259.346 1.648 10 70 CDIERN C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)N1S(=O)(=O)N(C)C ZINC000159449747 525161206 /nfs/dbraw/zinc/16/12/06/525161206.db2.gz YSXHHHXGNMBPFC-DYEKYZERSA-N 0 0 298.408 1.643 10 70 CDIERN O=C(N1CC[C@@H](Oc2cccnc2)C1)C1(O)CCCCC1 ZINC000161361116 527446652 /nfs/dbraw/zinc/44/66/52/527446652.db2.gz VHHOQDKCBVEJAR-CQSZACIVSA-N 0 0 290.363 1.757 10 70 CDIERN Cn1cnc2cc(C(=O)NCCc3ccccc3O)cnc21 ZINC000160890143 527497781 /nfs/dbraw/zinc/49/77/81/527497781.db2.gz MGNBJUOMQUQFMJ-UHFFFAOYSA-N 0 0 296.330 1.646 10 70 CDIERN CC(C)CC[C@H]1CCC(=O)N(C[C@H](O)COC(C)C)C1=O ZINC000160120815 527852589 /nfs/dbraw/zinc/85/25/89/527852589.db2.gz DJOMQGCZLBTAPF-KBPBESRZSA-N 0 0 299.411 1.974 10 70 CDIERN CCCC(O)(CCC)CNC(=O)NCC1(C)COC1 ZINC000159852810 361882155 /nfs/dbraw/zinc/88/21/55/361882155.db2.gz PTWOIAWYUXXBKU-UHFFFAOYSA-N 0 0 272.389 1.653 10 70 CDIERN CC[C@@H](CCO)NC(=O)c1cc(=O)c2ccccc2[nH]1 ZINC000160092296 362394340 /nfs/dbraw/zinc/39/43/40/362394340.db2.gz MOJMHDXTYFQSQC-JTQLQIEISA-N 0 0 274.320 1.419 10 70 CDIERN O=C(CNCC(F)(F)F)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000160575783 303627366 /nfs/dbraw/zinc/62/73/66/303627366.db2.gz FXFBRFONFKOGRD-JQWIXIFHSA-N 0 0 294.317 1.292 10 70 CDIERN Cc1ccccc1NC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000160932149 188499396 /nfs/dbraw/zinc/49/93/96/188499396.db2.gz KDGOIAKCPHFHIM-LLVKDONJSA-N 0 0 271.324 1.723 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)N[C@@H](C)CC ZINC000159941222 363469526 /nfs/dbraw/zinc/46/95/26/363469526.db2.gz HPPHTPPEEUKDNG-ZETCQYMHSA-N 0 0 253.302 1.399 10 70 CDIERN CCc1cccc(CC(=O)N[C@@H]2CC(=O)N(C3CC3)C2)c1 ZINC000160678832 360723706 /nfs/dbraw/zinc/72/37/06/360723706.db2.gz UCANESIMMIZPPF-CQSZACIVSA-N 0 0 286.375 1.671 10 70 CDIERN Cc1cc(C(=O)CCC(=O)NC2(CO)CC2)c(C)s1 ZINC000160222828 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CN(CC(C)(C)C)C(=O)CNC(=O)c1cccnc1 ZINC000161095196 364448061 /nfs/dbraw/zinc/44/80/61/364448061.db2.gz FATLTTJVJWENPF-UHFFFAOYSA-N 0 0 263.341 1.316 10 70 CDIERN Cc1cc(C[C@H](C)NC(=O)CCc2ccncc2)[nH]n1 ZINC000161257214 364469107 /nfs/dbraw/zinc/46/91/07/364469107.db2.gz JXXHLBHTXLRDHR-NSHDSACASA-N 0 0 272.352 1.793 10 70 CDIERN CCn1nc(C)cc1C(=O)NCCCCC(=O)OC ZINC000161314824 369886826 /nfs/dbraw/zinc/88/68/26/369886826.db2.gz RLCLYGIYAXTJRE-UHFFFAOYSA-N 0 0 267.329 1.285 10 70 CDIERN CC(C)NC(=O)CN(C)C(=O)N1CCC(C)CC1 ZINC000160448717 377063607 /nfs/dbraw/zinc/06/36/07/377063607.db2.gz HWCRUCUXNXCSIL-UHFFFAOYSA-N 0 0 255.362 1.295 10 70 CDIERN COc1ccc(CCC(=O)NC2(CO)CC2)cc1Cl ZINC000160463801 533457840 /nfs/dbraw/zinc/45/78/40/533457840.db2.gz SESCZMOCDCYTII-UHFFFAOYSA-N 0 0 283.755 1.922 10 70 CDIERN COCCNc1ccccc1CNC(=O)[C@H]1CC[C@@H](C)O1 ZINC000159891914 139907050 /nfs/dbraw/zinc/90/70/50/139907050.db2.gz TYYVFDJCWDJIGM-IUODEOHRSA-N 0 0 292.379 1.929 10 70 CDIERN Cc1nn(CC(C)C)c(C)c1CC(=O)N(C)[C@H](C)CO ZINC000160407867 139910780 /nfs/dbraw/zinc/91/07/80/139910780.db2.gz WAOYDHAGBOWRRR-LLVKDONJSA-N 0 0 281.400 1.538 10 70 CDIERN CC1(C)C[C@H](NC(=O)[C@@H]2CCC(=O)N2)c2ccccc2O1 ZINC000159976031 278384401 /nfs/dbraw/zinc/38/44/01/278384401.db2.gz MMWKGACJRHMTSL-RYUDHWBXSA-N 0 0 288.347 1.684 10 70 CDIERN CC1CCN(C(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000160309519 278533871 /nfs/dbraw/zinc/53/38/71/278533871.db2.gz XGJBJWQFWAQRID-UHFFFAOYSA-N 0 0 289.383 1.451 10 70 CDIERN C[C@@H]1CCC[C@H](C(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)C1 ZINC000160950959 279876969 /nfs/dbraw/zinc/87/69/69/279876969.db2.gz PLOXUJZSEIDVIY-MROQNXINSA-N 0 0 266.385 1.925 10 70 CDIERN O=C(NCCc1cscn1)N[C@H]1CCCC[C@H]1O ZINC000159477588 292759915 /nfs/dbraw/zinc/75/99/15/292759915.db2.gz GSKHNMNGDWRKST-WDEREUQCSA-N 0 0 269.370 1.288 10 70 CDIERN C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC1(CO)CC1 ZINC000160315940 292783490 /nfs/dbraw/zinc/78/34/90/292783490.db2.gz MFNYTDQWEFVPMO-VIFPVBQESA-N 0 0 296.754 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273.373 1.990 10 70 CDIERN Cc1ccc(C(=O)NCc2nc3c(cccc3C)[nH]2)c(=O)[nH]1 ZINC000160509567 363961661 /nfs/dbraw/zinc/96/16/61/363961661.db2.gz NJEFQVLEUPVXGF-UHFFFAOYSA-N 0 0 296.330 1.798 10 70 CDIERN O=C([C@@H](O)c1ccccc1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000159971501 364289160 /nfs/dbraw/zinc/28/91/60/364289160.db2.gz DUZAGVFKAFZVOP-KKUMJFAQSA-N 0 0 275.348 1.890 10 70 CDIERN COC(=O)CCCc1nnc(NC(=O)N[C@@H]2C[C@@H]2C)s1 ZINC000160734103 364402404 /nfs/dbraw/zinc/40/24/04/364402404.db2.gz SXAFBALHEKIFLY-JGVFFNPUSA-N 0 0 298.368 1.564 10 70 CDIERN CCc1ccccc1C(=O)NC[C@@H](C)N1CCOCC1 ZINC000160832205 364417644 /nfs/dbraw/zinc/41/76/44/364417644.db2.gz KGRGSEMKRBCEIF-CYBMUJFWSA-N 0 0 276.380 1.700 10 70 CDIERN COC[C@@H](O)CCNC(=O)CC/C=C/c1ccccc1 ZINC000161410211 364488973 /nfs/dbraw/zinc/48/89/73/364488973.db2.gz USHLLGAAGVHOJN-BOSPYUDASA-N 0 0 277.364 1.994 10 70 CDIERN Cc1cc(C[C@H](C)NC(=O)c2ccc3n[nH]nc3c2)[nH]n1 ZINC000161488850 364501482 /nfs/dbraw/zinc/50/14/82/364501482.db2.gz 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/nfs/dbraw/zinc/10/59/34/534105934.db2.gz MTVRYGFADRFLSM-JQWIXIFHSA-N 0 0 286.335 1.987 10 70 CDIERN CCn1cnnc1[C@@H]1CCCN(CC(=O)N(C)C2CC2)C1 ZINC000161351702 523597093 /nfs/dbraw/zinc/59/70/93/523597093.db2.gz YNSAUGNIEGKEAQ-GFCCVEGCSA-N 0 0 291.399 1.098 10 70 CDIERN CCn1cnnc1[C@@H]1CCCN(Cc2cc(C)on2)C1 ZINC000161304829 523599980 /nfs/dbraw/zinc/59/99/80/523599980.db2.gz HQJIAZDGBLZRKF-GFCCVEGCSA-N 0 0 275.356 1.974 10 70 CDIERN CSCC[C@@H](C)N(C)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000161191760 525522606 /nfs/dbraw/zinc/52/26/06/525522606.db2.gz YUQLDQWEFVAHGI-GHMZBOCLSA-N 0 0 297.428 1.376 10 70 CDIERN Cn1nccc1CNC(=O)CCCc1nc(C2CC2)no1 ZINC000159585156 527607651 /nfs/dbraw/zinc/60/76/51/527607651.db2.gz ZDMKTJWVPJOZOV-UHFFFAOYSA-N 0 0 289.339 1.320 10 70 CDIERN CCCCOC(=O)[C@@H](C)N1c2ccccc2C[C@H]1C(N)=O ZINC000159847989 361878165 /nfs/dbraw/zinc/87/81/65/361878165.db2.gz SOYSUCIQAVSURC-RISCZKNCSA-N 0 0 290.363 1.635 10 70 CDIERN C[C@H](Oc1cccc(CO)c1)C(=O)NCC(C)(C)CO ZINC000161497524 539117911 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/nfs/dbraw/zinc/32/66/70/363326670.db2.gz PUJUYXFHYFEEHB-UHFFFAOYSA-N 0 0 256.371 1.959 10 70 CDIERN COC[C@@H](O)CCNC(=O)C1(c2ccc(F)cc2)CC1 ZINC000161330804 237194867 /nfs/dbraw/zinc/19/48/67/237194867.db2.gz ZWGWDVGGNMCTEY-ZDUSSCGKSA-N 0 0 281.327 1.371 10 70 CDIERN COC(=O)CCCCNC(=O)N(C)C[C@@H]1CCC[C@@H]1O ZINC000160124810 363677244 /nfs/dbraw/zinc/67/72/44/363677244.db2.gz NGBJMQYGNASKFQ-RYUDHWBXSA-N 0 0 286.372 1.132 10 70 CDIERN Cc1cc(C[C@H](C)NC(=O)NCc2ncccc2F)[nH]n1 ZINC000160754710 361190830 /nfs/dbraw/zinc/19/08/30/361190830.db2.gz UXYNCQBQEXCVSO-VIFPVBQESA-N 0 0 291.330 1.683 10 70 CDIERN O=C(CCC(=O)c1ccc2c(c1)CCC2)NC1(CO)CC1 ZINC000160281280 363806717 /nfs/dbraw/zinc/80/67/17/363806717.db2.gz IUTUKNLDOVQBKV-UHFFFAOYSA-N 0 0 287.359 1.779 10 70 CDIERN CCc1nnc(CN2CCO[C@H](c3ccc(C)o3)C2)[nH]1 ZINC000159528427 361730221 /nfs/dbraw/zinc/73/02/21/361730221.db2.gz PQWFLZYBBSAIIM-LBPRGKRZSA-N 0 0 276.340 1.842 10 70 CDIERN C[C@@H](CS(C)(=O)=O)CS(=O)(=O)c1cccs1 ZINC000160387003 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/nfs/dbraw/zinc/35/25/32/364352532.db2.gz NIDJPBJBLDPRAT-GFCCVEGCSA-N 0 0 265.357 1.407 10 70 CDIERN Cc1conc1NC(=O)C(=O)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000161150123 364455202 /nfs/dbraw/zinc/45/52/02/364455202.db2.gz SFBMRHFLTNDXPC-STQMWFEESA-N 0 0 299.330 1.841 10 70 CDIERN CN(Cc1ccccc1)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000161236016 364466746 /nfs/dbraw/zinc/46/67/46/364466746.db2.gz SRMRMVZBHKDWMA-CYBMUJFWSA-N 0 0 285.351 1.435 10 70 CDIERN Cc1c(C(=O)N[C@H]2C[C@@H]2C)cnn1C1CCOCC1 ZINC000161281688 364472702 /nfs/dbraw/zinc/47/27/02/364472702.db2.gz HQEPOMOWAHHOKA-ZANVPECISA-N 0 0 263.341 1.681 10 70 CDIERN CCC[C@H](NC(=O)c1cnsn1)C(=O)OC(C)(C)C ZINC000161475449 364499867 /nfs/dbraw/zinc/49/98/67/364499867.db2.gz IFQQXNMHWBKXIO-QMMMGPOBSA-N 0 0 285.369 1.778 10 70 CDIERN C[C@H](CC(=O)NCCN1CCOCC1)C(F)(F)F ZINC000218236251 364995440 /nfs/dbraw/zinc/99/54/40/364995440.db2.gz YMFQGYSGQJKHAS-SECBINFHSA-N 0 0 268.279 1.023 10 70 CDIERN NC(=O)CN1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000161137320 367250057 /nfs/dbraw/zinc/25/00/57/367250057.db2.gz KLHPPJXIDWLTSI-QWRGUYRKSA-N 0 0 288.269 1.298 10 70 CDIERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N[C@@H]1C[C@H]1C)CC2 ZINC000161442591 139912798 /nfs/dbraw/zinc/91/27/98/139912798.db2.gz HSZGHHZCTRXPJP-GMTAPVOTSA-N 0 0 277.372 1.424 10 70 CDIERN C[C@@H](NC(N)=O)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000159986228 287008926 /nfs/dbraw/zinc/00/89/26/287008926.db2.gz LYSRAVOBMBRSSJ-MWLCHTKSSA-N 0 0 291.351 1.462 10 70 CDIERN CC[C@@H]1CCCC[C@H]1N(C)C(=O)CCN1C(=O)CCC1=O ZINC000161164300 264272893 /nfs/dbraw/zinc/27/28/93/264272893.db2.gz PQVMYVONIJZVGX-CHWSQXEVSA-N 0 0 294.395 1.953 10 70 CDIERN CC1(C)C[C@@H](NC(=O)[C@@H]2CCC(=O)N2)c2ccccc2O1 ZINC000159976158 278365081 /nfs/dbraw/zinc/36/50/81/278365081.db2.gz MMWKGACJRHMTSL-NWDGAFQWSA-N 0 0 288.347 1.684 10 70 CDIERN C[C@@H]1Cc2ccccc2N1C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000161115226 279019092 /nfs/dbraw/zinc/01/90/92/279019092.db2.gz ISXMCUITBPWIHV-DGCLKSJQSA-N 0 0 297.362 1.754 10 70 CDIERN O=C(NCCO)c1ncoc1-c1ccccc1Cl ZINC000159472962 292759920 /nfs/dbraw/zinc/75/99/20/292759920.db2.gz OURROLSRXGDTSA-UHFFFAOYSA-N 0 0 266.684 1.717 10 70 CDIERN C[C@H]1CC(NC(=O)Nc2ccc(=O)n(C)c2)C[C@H](C)O1 ZINC000159791740 292769315 /nfs/dbraw/zinc/76/93/15/292769315.db2.gz ZQHGECFQJWMBJF-UWVGGRQHSA-N 0 0 279.340 1.463 10 70 CDIERN COCCC1(C(=O)N(C)CC(=O)NC(C)(C)C)CCC1 ZINC000159809652 292770278 /nfs/dbraw/zinc/77/02/78/292770278.db2.gz BUDFZFQXFOXBCJ-UHFFFAOYSA-N 0 0 284.400 1.566 10 70 CDIERN CCOCCCNC(=O)C(=O)Nc1c(C)onc1CC ZINC000159959691 292774353 /nfs/dbraw/zinc/77/43/53/292774353.db2.gz UQHLAEMCUAEJPV-UHFFFAOYSA-N 0 0 283.328 1.027 10 70 CDIERN CC(C)N(C[C@@H](C)O)C(=O)NCCCNc1ccccn1 ZINC000160680114 292793042 /nfs/dbraw/zinc/79/30/42/292793042.db2.gz HSLVCLHCZAYUPN-CYBMUJFWSA-N 0 0 294.399 1.684 10 70 CDIERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N(C)CC1CC1)CC2 ZINC000161366937 519871972 /nfs/dbraw/zinc/87/19/72/519871972.db2.gz KEMPAKVDXKNCRX-GFCCVEGCSA-N 0 0 291.399 1.768 10 70 CDIERN CCOC(=O)C[C@H](C)NC(=O)Cn1ncc2ccccc21 ZINC000160680664 520875258 /nfs/dbraw/zinc/87/52/58/520875258.db2.gz YBVNSMGVWRRGBD-NSHDSACASA-N 0 0 289.335 1.494 10 70 CDIERN CCN(CCCO)C(=O)[C@H](C)NC(=O)c1ccccc1 ZINC000160457235 521032331 /nfs/dbraw/zinc/03/23/31/521032331.db2.gz BTKDMKJESHFIQN-LBPRGKRZSA-N 0 0 278.352 1.036 10 70 CDIERN Cc1cc(=O)[nH]c(-c2ccc(NC(=O)[C@@H]3CCOC3)cc2)n1 ZINC000161141405 526117598 /nfs/dbraw/zinc/11/75/98/526117598.db2.gz CHDISDFTIIHLSB-GFCCVEGCSA-N 0 0 299.330 1.720 10 70 CDIERN O=C(CC1(O)CCCC1)N1CC[C@H](Oc2cccnc2)C1 ZINC000161440955 526330434 /nfs/dbraw/zinc/33/04/34/526330434.db2.gz LYRSMHMSTMTDEW-AWEZNQCLSA-N 0 0 290.363 1.757 10 70 CDIERN Cc1noc([C@@H]2COCCN2CCCn2ccnc2)n1 ZINC000161124376 526658487 /nfs/dbraw/zinc/65/84/87/526658487.db2.gz LCXGHSKFMPXFIO-LBPRGKRZSA-N 0 0 277.328 1.038 10 70 CDIERN CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)C1(NC(N)=O)CC1 ZINC000160293853 527808311 /nfs/dbraw/zinc/80/83/11/527808311.db2.gz GALQOBZTTXLBNR-IJLUTSLNSA-N 0 0 281.400 1.764 10 70 CDIERN CCC(CC)n1nccc1C(=O)NCc1ccnn1C ZINC000161497191 528914570 /nfs/dbraw/zinc/91/45/70/528914570.db2.gz KOHXMEVEJMJDHH-UHFFFAOYSA-N 0 0 275.356 1.908 10 70 CDIERN O=C(CSc1nccc2ccccc21)NC1(CO)CC1 ZINC000160477776 342482991 /nfs/dbraw/zinc/48/29/91/342482991.db2.gz WNFMGRXADCVMIR-UHFFFAOYSA-N 0 0 288.372 1.968 10 70 CDIERN CC(C)OCCSCCCCS(C)(=O)=O ZINC000160948844 346929949 /nfs/dbraw/zinc/92/99/49/346929949.db2.gz CNKOMGUAJFNDKI-UHFFFAOYSA-N 0 0 254.417 1.969 10 70 CDIERN COc1ccccc1NC(=O)CN1CC[C@H](O)[C@@H](C)C1 ZINC000159436513 362322062 /nfs/dbraw/zinc/32/20/62/362322062.db2.gz NONXRDKOMMDWQZ-AAEUAGOBSA-N 0 0 278.352 1.336 10 70 CDIERN C[C@H](CO)[C@H](C)NC(=O)Cn1cnc2ccccc21 ZINC000160323736 362413271 /nfs/dbraw/zinc/41/32/71/362413271.db2.gz AMYXQGMIJWJAJM-MNOVXSKESA-N 0 0 261.325 1.169 10 70 CDIERN CNc1ccc(C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)cn1 ZINC000160904708 362540540 /nfs/dbraw/zinc/54/05/40/362540540.db2.gz BDKMPFRLRYFJEU-XJKSGUPXSA-N 0 0 289.379 1.891 10 70 CDIERN C[C@@H](CNC(=O)NCCCC1CC1)CN1CCOCC1 ZINC000160402167 346061867 /nfs/dbraw/zinc/06/18/67/346061867.db2.gz XTOOUTYTWKJLNS-ZDUSSCGKSA-N 0 0 283.416 1.444 10 70 CDIERN COC(=O)C[C@@H](C)C(=O)Nc1nc2c(s1)C(=O)CCC2 ZINC000160349090 188467282 /nfs/dbraw/zinc/46/72/82/188467282.db2.gz LINDIOZZPXQHNG-SSDOTTSWSA-N 0 0 296.348 1.800 10 70 CDIERN CC[C@@H](NC(=O)c1cnc2c(c1)ncn2C)[C@@H]1CCCO1 ZINC000160994937 359947789 /nfs/dbraw/zinc/94/77/89/359947789.db2.gz RIWWSWXURXLFRF-YPMHNXCESA-N 0 0 288.351 1.656 10 70 CDIERN CCc1cccc(CC(=O)N[C@H]2CC(=O)N(C3CC3)C2)c1 ZINC000160678959 360723469 /nfs/dbraw/zinc/72/34/69/360723469.db2.gz UCANESIMMIZPPF-AWEZNQCLSA-N 0 0 286.375 1.671 10 70 CDIERN C[C@H](CC(=O)NC1(CO)CC1)c1ccc(F)cc1 ZINC000160241210 363791259 /nfs/dbraw/zinc/79/12/59/363791259.db2.gz NCSHGGQFGKULPD-SNVBAGLBSA-N 0 0 251.301 1.960 10 70 CDIERN Cc1cccc2[nH]c(CNC(=O)Cc3ccon3)nc21 ZINC000160496350 363942596 /nfs/dbraw/zinc/94/25/96/363942596.db2.gz CUKXBLLKNUDRMG-UHFFFAOYSA-N 0 0 270.292 1.718 10 70 CDIERN Cc1cccc2[nH]c(CNC(=O)c3ccc[nH]c3=O)nc21 ZINC000160573466 364039433 /nfs/dbraw/zinc/03/94/33/364039433.db2.gz KATLSESTZJTFLV-UHFFFAOYSA-N 0 0 282.303 1.902 10 70 CDIERN C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)NC1CC1 ZINC000160578928 364041489 /nfs/dbraw/zinc/04/14/89/364041489.db2.gz IFEWPNUKYNEMLA-SNVBAGLBSA-N 0 0 286.335 1.247 10 70 CDIERN COC(=O)NCc1ccc(NC(=O)C[C@H](O)C(C)C)cc1 ZINC000160357919 364339320 /nfs/dbraw/zinc/33/93/20/364339320.db2.gz LHSSLZAWIWXZOD-ZDUSSCGKSA-N 0 0 294.351 1.888 10 70 CDIERN CCCOC(=O)[C@@H](C)N1CCC[C@@H]1c1cnn(C)c1 ZINC000160523565 364365771 /nfs/dbraw/zinc/36/57/71/364365771.db2.gz JJELYEGRRNKSDV-DGCLKSJQSA-N 0 0 265.357 1.899 10 70 CDIERN COc1ccccc1O[C@@H](C)CNC(=O)C[C@H](O)C(C)C ZINC000161197367 364463024 /nfs/dbraw/zinc/46/30/24/364463024.db2.gz PKCVZWYKPFKBEM-STQMWFEESA-N 0 0 295.379 1.986 10 70 CDIERN C[C@@H](c1ccco1)N(C)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000161261926 364471095 /nfs/dbraw/zinc/47/10/95/364471095.db2.gz XTNGSAOCWYRAIE-QWRGUYRKSA-N 0 0 289.339 1.589 10 70 CDIERN COC(=O)[C@H](c1cccnc1)N1CCS[C@@H](C)C1 ZINC000159840881 291803399 /nfs/dbraw/zinc/80/33/99/291803399.db2.gz DWDNGCSNFLRPKA-JQWIXIFHSA-N 0 0 266.366 1.733 10 70 CDIERN O=C1[C@H]2Cc3ccccc3CN2C(=O)N1C1CCC1 ZINC000160880852 285010084 /nfs/dbraw/zinc/01/00/84/285010084.db2.gz UZJWHCZLNLOFRK-CYBMUJFWSA-N 0 0 256.305 1.928 10 70 CDIERN COC[C@H](O)CN(C)C(=O)/C=C\c1ccc2c(c1)CCO2 ZINC000218118099 130766848 /nfs/dbraw/zinc/76/68/48/130766848.db2.gz BBODASWTBCLQLA-KXQLTZBTSA-N 0 0 291.347 1.100 10 70 CDIERN Cn1ncnc1CNc1nc(C(C)(C)C)ns1 ZINC000159767400 139905138 /nfs/dbraw/zinc/90/51/38/139905138.db2.gz BCZGBIQNMKCWIX-UHFFFAOYSA-N 0 0 252.347 1.576 10 70 CDIERN Cn1c(CN2CCC(C(N)=O)CC2)nnc1-c1ccccc1 ZINC000160678047 147723600 /nfs/dbraw/zinc/72/36/00/147723600.db2.gz NSBQDZNHNBCQTD-UHFFFAOYSA-N 0 0 299.378 1.179 10 70 CDIERN CC(C)c1nc2c(n1C)CCN(C(=O)[C@@H]1OCC[C@@H]1C)C2 ZINC000160334125 280671146 /nfs/dbraw/zinc/67/11/46/280671146.db2.gz FFUMQNZYDQLSNU-SMDDNHRTSA-N 0 0 291.395 1.853 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)N[C@H](C)CC ZINC000159941356 292774388 /nfs/dbraw/zinc/77/43/88/292774388.db2.gz HPPHTPPEEUKDNG-SSDOTTSWSA-N 0 0 253.302 1.399 10 70 CDIERN O=C(NC1(CO)CC1)[C@H]1SCCc2sccc21 ZINC000160181023 292779357 /nfs/dbraw/zinc/77/93/57/292779357.db2.gz MZPNYEMHHUEJDM-JTQLQIEISA-N 0 0 269.391 1.720 10 70 CDIERN O=C(Cc1cccc(OC(F)(F)F)c1)NC1(CO)CC1 ZINC000160449447 292787184 /nfs/dbraw/zinc/78/71/84/292787184.db2.gz HHIZOCJFWPIWQB-UHFFFAOYSA-N 0 0 289.253 1.769 10 70 CDIERN CC1(C)CCC[C@@H](CC(=O)N[C@H]2CCC(=O)NC2=O)C1 ZINC000160695641 292792579 /nfs/dbraw/zinc/79/25/79/292792579.db2.gz OYQKEXFCJJXQJK-QWRGUYRKSA-N 0 0 280.368 1.514 10 70 CDIERN CCc1c(C(=O)N2CCOC(C)(C)C2)[nH]c(C)c1C(N)=O ZINC000161424995 292806006 /nfs/dbraw/zinc/80/60/06/292806006.db2.gz CDLGDKDTPZEPDG-UHFFFAOYSA-N 0 0 293.367 1.235 10 70 CDIERN CC(=O)NC1CCN(C(=O)N2CCC(C)CC2)CC1 ZINC000160800030 482826660 /nfs/dbraw/zinc/82/66/60/482826660.db2.gz KCTTUMWJZHQWNQ-UHFFFAOYSA-N 0 0 267.373 1.439 10 70 CDIERN CCN1C[C@H](C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)CC1=O ZINC000160350842 521728075 /nfs/dbraw/zinc/72/80/75/521728075.db2.gz LHCRIKKNWWFKJZ-XJKCOSOUSA-N 0 0 294.395 1.008 10 70 CDIERN Cc1conc1NC(=O)C(=O)N[C@H]1COc2ccccc21 ZINC000160891410 526297945 /nfs/dbraw/zinc/29/79/45/526297945.db2.gz PCJLZVWBNHIGPB-JTQLQIEISA-N 0 0 287.275 1.171 10 70 CDIERN CCOc1ccccc1OCC(=O)NC1(CO)CC1 ZINC000159834748 528747732 /nfs/dbraw/zinc/74/77/32/528747732.db2.gz QIOLJKPDANMMAC-UHFFFAOYSA-N 0 0 265.309 1.105 10 70 CDIERN C[C@H](NC(=O)Cn1cccn1)c1ccccc1-n1cccn1 ZINC000159622004 361756947 /nfs/dbraw/zinc/75/69/47/361756947.db2.gz FMXNCIMFHBYPEL-ZDUSSCGKSA-N 0 0 295.346 1.946 10 70 CDIERN C[C@@H](NC(=O)CCCc1nc(C2CC2)no1)[C@H]1CCCO1 ZINC000159769149 361840875 /nfs/dbraw/zinc/84/08/75/361840875.db2.gz VTQKBQIILFEEOK-ZYHUDNBSSA-N 0 0 293.367 1.953 10 70 CDIERN CC(C)(C)OC(=O)c1nn(C2CCOCC2)cc1N ZINC000218219904 342226144 /nfs/dbraw/zinc/22/61/44/342226144.db2.gz NVWSORIBWSZLQU-UHFFFAOYSA-N 0 0 267.329 1.772 10 70 CDIERN C[C@H](CNC(=O)[C@H]1CCC[C@@H](C)C1)N1CCOCC1 ZINC000160209978 362056226 /nfs/dbraw/zinc/05/62/26/362056226.db2.gz MZGPAZAIGQBMPF-MCIONIFRSA-N 0 0 268.401 1.650 10 70 CDIERN NC(=O)CN1C[C@@H]2CCCCCN2c2ccccc21 ZINC000216790546 344827037 /nfs/dbraw/zinc/82/70/37/344827037.db2.gz AVHDQRQTDMRGMS-LBPRGKRZSA-N 0 0 259.353 1.741 10 70 CDIERN CNc1nnc(CN2C(=O)c3ccccc3C2=O)s1 ZINC000159489864 345114419 /nfs/dbraw/zinc/11/44/19/345114419.db2.gz SAIRZAAGOMPANG-UHFFFAOYSA-N 0 0 274.305 1.376 10 70 CDIERN CCC(CC)CNC(=O)N1CCN(C2CC2)CC1 ZINC000160606343 346178092 /nfs/dbraw/zinc/17/80/92/346178092.db2.gz OPLQBTLSMNDSCE-UHFFFAOYSA-N 0 0 253.390 1.912 10 70 CDIERN CCCCCCNC(=O)COc1cc(C)n(C)n1 ZINC000159806621 188442348 /nfs/dbraw/zinc/44/23/48/188442348.db2.gz SCLWUPAZHKBIRI-UHFFFAOYSA-N 0 0 253.346 1.804 10 70 CDIERN C[C@@H](O)CCNC(=O)Nc1ccc(O[C@H]2CCOC2)cc1 ZINC000160173691 188458946 /nfs/dbraw/zinc/45/89/46/188458946.db2.gz FKHZBOLWSYFPGS-RISCZKNCSA-N 0 0 294.351 1.747 10 70 CDIERN C[C@@H](CO)[C@H](C)NC(=O)c1ccc(C(F)(F)F)[nH]c1=O ZINC000160317756 188465562 /nfs/dbraw/zinc/46/55/62/188465562.db2.gz BUIJBJIGFSWIKJ-BQBZGAKWSA-N 0 0 292.257 1.140 10 70 CDIERN O=S(=O)(CCc1ccccc1)C1CCOCC1 ZINC000160032601 188452010 /nfs/dbraw/zinc/45/20/10/188452010.db2.gz QAVUUPUMTOCKSL-UHFFFAOYSA-N 0 0 254.351 1.823 10 70 CDIERN C[C@H]1C[C@H]1NC(=O)c1csc(S(C)(=O)=O)c1 ZINC000161280473 188519296 /nfs/dbraw/zinc/51/92/96/188519296.db2.gz UHBDARCLDSPQJD-POYBYMJQSA-N 0 0 259.352 1.290 10 70 CDIERN Cc1nc2cc(NC(=O)[C@@H]3CCNC(=O)C3)ccc2o1 ZINC000159982772 363552620 /nfs/dbraw/zinc/55/26/20/363552620.db2.gz IHDVJOBRPNYPNO-SECBINFHSA-N 0 0 273.292 1.601 10 70 CDIERN c1csc([C@@H]2CN(CCOCC3CC3)CCO2)n1 ZINC000160110409 237164271 /nfs/dbraw/zinc/16/42/71/237164271.db2.gz OIFJGPFQTVSLBY-LBPRGKRZSA-N 0 0 268.382 1.943 10 70 CDIERN O=C(NC1(CO)CC1)c1ccc(-n2ccnc2)cc1 ZINC000160244751 363792705 /nfs/dbraw/zinc/79/27/05/363792705.db2.gz AIXTWLFOUOODDS-UHFFFAOYSA-N 0 0 257.293 1.127 10 70 CDIERN CCCCOCCNC(=O)C(=O)Nc1c(C)onc1CC ZINC000160348600 363821344 /nfs/dbraw/zinc/82/13/44/363821344.db2.gz PMISJBMCOXPAJA-UHFFFAOYSA-N 0 0 297.355 1.417 10 70 CDIERN Cc1cc(OCc2noc(C(C)(C)C)n2)nn1C ZINC000159804538 364266895 /nfs/dbraw/zinc/26/68/95/364266895.db2.gz AASMQUILSQFUQA-UHFFFAOYSA-N 0 0 250.302 1.988 10 70 CDIERN CCC(=O)N1CSC[C@H]1C(=O)Nc1cccc(F)n1 ZINC000160926827 364429236 /nfs/dbraw/zinc/42/92/36/364429236.db2.gz DMDYCYPJKKSYAE-QMMMGPOBSA-N 0 0 283.328 1.471 10 70 CDIERN Cc1cc(C[C@H](C)NC(=O)c2ccnn2C(C)C)[nH]n1 ZINC000161293914 364476443 /nfs/dbraw/zinc/47/64/43/364476443.db2.gz FPNCYXFZYFPSGE-JTQLQIEISA-N 0 0 275.356 1.857 10 70 CDIERN CCC[C@H](NC(=O)c1cc(C)nn1C)C(=O)OC(C)(C)C ZINC000161415840 364489627 /nfs/dbraw/zinc/48/96/27/364489627.db2.gz ZUWIWSXSBPZPJM-NSHDSACASA-N 0 0 295.383 1.969 10 70 CDIERN COC(=O)[C@@H](N[C@H]1CCC(=O)N(C)C1)c1ccccc1 ZINC000161207755 367606557 /nfs/dbraw/zinc/60/65/57/367606557.db2.gz VTFYRPQFFRUECY-JSGCOSHPSA-N 0 0 276.336 1.111 10 70 CDIERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N[C@@H]1C[C@@H]1C)CC2 ZINC000161442724 373752315 /nfs/dbraw/zinc/75/23/15/373752315.db2.gz HSZGHHZCTRXPJP-HBNTYKKESA-N 0 0 277.372 1.424 10 70 CDIERN C[C@H]1CN(c2nnc(C3CC3)s2)CCS1(=O)=O ZINC000160739374 377097453 /nfs/dbraw/zinc/09/74/53/377097453.db2.gz FGXIKLUQKFEEHO-ZETCQYMHSA-N 0 0 273.383 1.039 10 70 CDIERN C[C@H](CCO)NC(=O)N[C@H](C)[C@@H]1COc2ccccc21 ZINC000161423008 377227525 /nfs/dbraw/zinc/22/75/25/377227525.db2.gz RDJRJOGYVXTBBB-WZRBSPASSA-N 0 0 278.352 1.621 10 70 CDIERN C[C@@H](NC(N)=O)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000159986482 390977413 /nfs/dbraw/zinc/97/74/13/390977413.db2.gz LYSRAVOBMBRSSJ-KOLCDFICSA-N 0 0 291.351 1.462 10 70 CDIERN C[C@@H]1CN(c2nc3ccccc3[nH]2)CCS1(=O)=O ZINC000160751871 391526754 /nfs/dbraw/zinc/52/67/54/391526754.db2.gz BMTZFJONRCEODE-SECBINFHSA-N 0 0 265.338 1.186 10 70 CDIERN CC(C)CNC(=O)NC[C@H]1COc2ccccc2O1 ZINC000217269540 140163445 /nfs/dbraw/zinc/16/34/45/140163445.db2.gz PRNXKKSAMPXALC-NSHDSACASA-N 0 0 264.325 1.782 10 70 CDIERN C[C@H]1CCCN(S(=O)(=O)NC2(C)CCOCC2)C1 ZINC000160987998 270241838 /nfs/dbraw/zinc/24/18/38/270241838.db2.gz VDCJKOVUBKATOG-NSHDSACASA-N 0 0 276.402 1.122 10 70 CDIERN CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)[N-]OCC(F)(F)F ZINC000160751108 281462036 /nfs/dbraw/zinc/46/20/36/281462036.db2.gz RTOIDFOUAWJRRB-RWYTXXIDSA-N 0 0 296.289 1.129 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)N[C@@H](C)CCOC ZINC000160433690 292786881 /nfs/dbraw/zinc/78/68/81/292786881.db2.gz ZFJKCDDECJSVPA-QMMMGPOBSA-N 0 0 283.328 1.025 10 70 CDIERN CCOCCNC(=O)CCc1cc2ccccc2[nH]c1=O ZINC000160862324 292795385 /nfs/dbraw/zinc/79/53/85/292795385.db2.gz IJWVCAPZKRCFKC-UHFFFAOYSA-N 0 0 288.347 1.613 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)N1CCC[C@H]1C ZINC000160865366 292795408 /nfs/dbraw/zinc/79/54/08/292795408.db2.gz CUOKTQVVCWZPOS-MRVPVSSYSA-N 0 0 265.313 1.495 10 70 CDIERN Cc1nc(C(=O)N2CC[C@H]3OCCC[C@H]3C2)c(=O)[nH]c1C ZINC000159705309 302553396 /nfs/dbraw/zinc/55/33/96/302553396.db2.gz FOZUDMVMPAWKCW-NWDGAFQWSA-N 0 0 291.351 1.028 10 70 CDIERN O=C(Nc1ccccc1)N1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000160702557 482818390 /nfs/dbraw/zinc/81/83/90/482818390.db2.gz GXYZESURJOUEHP-WCQYABFASA-N 0 0 273.336 1.819 10 70 CDIERN CC(C)CN(CC(C)C)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000161032370 519712953 /nfs/dbraw/zinc/71/29/53/519712953.db2.gz CLAPASZJUQWBGM-ZDUSSCGKSA-N 0 0 293.415 1.917 10 70 CDIERN CC(C)CNC(=O)N1CCCN(c2cccnn2)CC1 ZINC000160768854 519736181 /nfs/dbraw/zinc/73/61/81/519736181.db2.gz JYIOXZHACJLCRL-UHFFFAOYSA-N 0 0 277.372 1.354 10 70 CDIERN CC(C)[C@@H](O)CCNC(=O)c1ccnn1C(C)C ZINC000159467452 519800529 /nfs/dbraw/zinc/80/05/29/519800529.db2.gz KHJZKIXRCXESFO-LBPRGKRZSA-N 0 0 253.346 1.601 10 70 CDIERN CCCCCNC(=O)N1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC000160677202 520200757 /nfs/dbraw/zinc/20/07/57/520200757.db2.gz UUBHVLHIUGCSEM-CHWSQXEVSA-N 0 0 281.400 1.877 10 70 CDIERN CCCN(CC1CC1)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000161055077 521621288 /nfs/dbraw/zinc/62/12/88/521621288.db2.gz ZGKBHUIUFXLAJY-LBPRGKRZSA-N 0 0 277.372 1.425 10 70 CDIERN COC(=O)c1ncn(C[C@H]2Cc3ccccc3O2)n1 ZINC000161481101 522390012 /nfs/dbraw/zinc/39/00/12/522390012.db2.gz IPASMWZQYQGYIS-SNVBAGLBSA-N 0 0 259.265 1.068 10 70 CDIERN CNc1ncc(C(=O)N2CCC[C@@H]2C(=O)NC2CC2)s1 ZINC000161012207 522693411 /nfs/dbraw/zinc/69/34/11/522693411.db2.gz TYZWNFMGDFJCSY-SECBINFHSA-N 0 0 294.380 1.068 10 70 CDIERN O=C(Cc1ccc2c(c1)CCCC2)NC1(CO)CC1 ZINC000159834609 534709356 /nfs/dbraw/zinc/70/93/56/534709356.db2.gz XBSBFRIAOQTSTQ-UHFFFAOYSA-N 0 0 259.349 1.749 10 70 CDIERN CN(C)C(=O)NCCNc1ncnc2c1CCCCC2 ZINC000161054641 524006251 /nfs/dbraw/zinc/00/62/51/524006251.db2.gz IYZMJSOQLNRKML-UHFFFAOYSA-N 0 0 277.372 1.429 10 70 CDIERN Cc1ccn(-c2ccccc2NC(=O)[C@@H]2CNC(=O)C2)n1 ZINC000161332118 525568480 /nfs/dbraw/zinc/56/84/80/525568480.db2.gz FQYYAGIRQHKRIF-NSHDSACASA-N 0 0 284.319 1.255 10 70 CDIERN CS[C@H](C)CNC(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000160605749 525878709 /nfs/dbraw/zinc/87/87/09/525878709.db2.gz ZVZXRBQQJGCJFZ-ZJUUUORDSA-N 0 0 297.428 1.726 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)N[C@@H](C)C(C)C ZINC000159966922 361981858 /nfs/dbraw/zinc/98/18/58/361981858.db2.gz OFHAXYCYXNMYJL-QMMMGPOBSA-N 0 0 267.329 1.645 10 70 CDIERN CCCOC(=O)[C@@H](C)N1CCC(c2cc[nH]n2)CC1 ZINC000160071559 362017351 /nfs/dbraw/zinc/01/73/51/362017351.db2.gz DVEMRNSRVRMEPM-LLVKDONJSA-N 0 0 265.357 1.931 10 70 CDIERN COc1cccc2c1OCC(C(=O)NC1(CO)CC1)=C2 ZINC000160377399 342373283 /nfs/dbraw/zinc/37/32/83/342373283.db2.gz XVCYLKJBHCJDMY-UHFFFAOYSA-N 0 0 275.304 1.112 10 70 CDIERN Cc1cc(NC(=O)N(CCS(C)(=O)=O)C(C)C)no1 ZINC000159839624 188444178 /nfs/dbraw/zinc/44/41/78/188444178.db2.gz LIPNIWWOKLWPLA-UHFFFAOYSA-N 0 0 289.357 1.270 10 70 CDIERN Cc1ccn2ncc(C(=O)N[C@@H](CO)CC(C)C)c2n1 ZINC000160774913 188490835 /nfs/dbraw/zinc/49/08/35/188490835.db2.gz JRYGTXCPOOAKLR-LLVKDONJSA-N 0 0 276.340 1.175 10 70 CDIERN Cc1cnn(Cc2cc(C(=O)NOCC(C)C)no2)c1 ZINC000161300281 188520954 /nfs/dbraw/zinc/52/09/54/188520954.db2.gz AIQZRCNGVVYVFB-UHFFFAOYSA-N 0 0 278.312 1.545 10 70 CDIERN C[C@H](CC1CC1)NC(=O)N1CCC([C@@H](C)O)CC1 ZINC000159843302 237160270 /nfs/dbraw/zinc/16/02/70/237160270.db2.gz PSDPXLGSIDODQS-GHMZBOCLSA-N 0 0 254.374 1.977 10 70 CDIERN COCCc1cc(NC(=O)N[C@H](COC)C2CC2)n(C)n1 ZINC000161146049 237192683 /nfs/dbraw/zinc/19/26/83/237192683.db2.gz NGJQQPFLBJGTCP-GFCCVEGCSA-N 0 0 296.371 1.156 10 70 CDIERN CCOc1ncccc1CNC(=O)N(C[C@H](C)O)C(C)C ZINC000160123969 363677479 /nfs/dbraw/zinc/67/74/79/363677479.db2.gz HWTJQMJUTGOLCJ-LBPRGKRZSA-N 0 0 295.383 1.781 10 70 CDIERN O=C(NCC1(CCO)CCC1)c1ccc2[nH]cnc2c1 ZINC000160132774 363682371 /nfs/dbraw/zinc/68/23/71/363682371.db2.gz REMIMVIZABKDGC-UHFFFAOYSA-N 0 0 273.336 1.845 10 70 CDIERN Cn1c(CN2CCCC[C@@H]2C(N)=O)nnc1-c1ccccc1 ZINC000160693100 360778619 /nfs/dbraw/zinc/77/86/19/360778619.db2.gz RYJUTVJXANYINQ-CYBMUJFWSA-N 0 0 299.378 1.322 10 70 CDIERN O=C(CCOc1ccc(Cl)cc1)NC1(CO)CC1 ZINC000160257013 363798386 /nfs/dbraw/zinc/79/83/86/363798386.db2.gz KWOZAOPYNLJHCN-UHFFFAOYSA-N 0 0 269.728 1.750 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)NC[C@H]1CCCCO1 ZINC000160297799 363804265 /nfs/dbraw/zinc/80/42/65/363804265.db2.gz XOVUEXHYELAOTA-SNVBAGLBSA-N 0 0 295.339 1.169 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)NC[C@@H]1CCCCO1 ZINC000160297652 363804482 /nfs/dbraw/zinc/80/44/82/363804482.db2.gz XOVUEXHYELAOTA-JTQLQIEISA-N 0 0 295.339 1.169 10 70 CDIERN Cc1cccc2[nH]c(CNC(=O)c3cc(C(N)=O)c[nH]3)nc21 ZINC000160599248 364079685 /nfs/dbraw/zinc/07/96/85/364079685.db2.gz XBFMLUAFZHLQTC-UHFFFAOYSA-N 0 0 297.318 1.228 10 70 CDIERN CNC(=O)[C@@H]1CCCN1C(=O)N[C@@H](C)c1ncc(C)s1 ZINC000159566454 364234539 /nfs/dbraw/zinc/23/45/39/364234539.db2.gz UVFSBXNRADBBDL-UWVGGRQHSA-N 0 0 296.396 1.433 10 70 CDIERN O=C(NCc1cc(=O)[nH]c2ccccc12)[C@@H]1CCCCO1 ZINC000159709758 364254233 /nfs/dbraw/zinc/25/42/33/364254233.db2.gz JDFPHJDIDLGBOR-AWEZNQCLSA-N 0 0 286.331 1.713 10 70 CDIERN CCc1oc(C(=O)N(C)CC(=O)NC2CC2)cc1C ZINC000159772191 364263810 /nfs/dbraw/zinc/26/38/10/364263810.db2.gz UTZVLUILEMPTPF-UHFFFAOYSA-N 0 0 264.325 1.501 10 70 CDIERN CNC(=O)[C@@H]1CCCN1C(=O)NCCC1=CCCC1 ZINC000160265984 364327924 /nfs/dbraw/zinc/32/79/24/364327924.db2.gz JRCJHUQAMSJWCJ-LBPRGKRZSA-N 0 0 265.357 1.407 10 70 CDIERN Cn1c(CO)nnc1Sc1nc(C(C)(C)C)ns1 ZINC000160028500 375333969 /nfs/dbraw/zinc/33/39/69/375333969.db2.gz MVOCPELVRRPZQL-UHFFFAOYSA-N 0 0 285.398 1.608 10 70 CDIERN CC(C)(C)OC(=O)N1CCC[C@@]2(CNC(=O)N2)C1 ZINC000217820937 375741763 /nfs/dbraw/zinc/74/17/63/375741763.db2.gz PKVYUSBDUFITPM-GFCCVEGCSA-N 0 0 255.318 1.069 10 70 CDIERN CCO[C@H](C)c1nccn1CC(=O)N(C)CC1CC1 ZINC000161495142 377693599 /nfs/dbraw/zinc/69/35/99/377693599.db2.gz BGVWSIFJQKDTTN-LLVKDONJSA-N 0 0 265.357 1.849 10 70 CDIERN CC(C)(CNC(=O)[C@H]1C[C@H]1C1CCCCC1)C(N)=O ZINC000160885857 391574497 /nfs/dbraw/zinc/57/44/97/391574497.db2.gz QEBHQNJHTQYGDM-RYUDHWBXSA-N 0 0 266.385 1.831 10 70 CDIERN Cc1csc(CNC(=O)N(C[C@H](C)O)C(C)C)n1 ZINC000159631053 424144063 /nfs/dbraw/zinc/14/40/63/424144063.db2.gz KBDJWFYJTIABFI-JTQLQIEISA-N 0 0 271.386 1.752 10 70 CDIERN C[C@H](C(=O)N1CCS[C@H]2COCC[C@@H]21)C1CCOCC1 ZINC000160173194 289296357 /nfs/dbraw/zinc/29/63/57/289296357.db2.gz XLBXLHAMLUYXTO-UBHSHLNASA-N 0 0 299.436 1.782 10 70 CDIERN Cc1cccc(CNC(=O)c2ccc3[nH]c(=O)n(C)c3c2)n1 ZINC000159559486 292761621 /nfs/dbraw/zinc/76/16/21/292761621.db2.gz KFGQXXNWOSLZON-UHFFFAOYSA-N 0 0 296.330 1.500 10 70 CDIERN CCOC(=O)[C@@H](C)N[C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159906305 292773003 /nfs/dbraw/zinc/77/30/03/292773003.db2.gz ANKASHUSRIKXNC-NWDGAFQWSA-N 0 0 288.351 1.870 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)NCC(C)C ZINC000159952294 292774322 /nfs/dbraw/zinc/77/43/22/292774322.db2.gz JRQQVWHFBVQVHM-UHFFFAOYSA-N 0 0 253.302 1.256 10 70 CDIERN C[C@@H](Cc1ccccc1F)C(=O)NC1(CO)CC1 ZINC000160246589 292781866 /nfs/dbraw/zinc/78/18/66/292781866.db2.gz PHXHLENYKJGXNS-JTQLQIEISA-N 0 0 251.301 1.645 10 70 CDIERN CCc1noc(C)c1NC(=O)Nc1cccn(C)c1=O ZINC000160767748 292794341 /nfs/dbraw/zinc/79/43/41/292794341.db2.gz WHQCKRNNRQMIPZ-UHFFFAOYSA-N 0 0 276.296 1.888 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)N1CC[C@@H](C)[C@H]1C ZINC000160909826 292795996 /nfs/dbraw/zinc/79/59/96/292795996.db2.gz PGKQEWYLADBOLS-RKDXNWHRSA-N 0 0 279.340 1.741 10 70 CDIERN COC[C@@H](O)CCNC(=O)C(C)(C)c1ccccc1F ZINC000161236128 292802449 /nfs/dbraw/zinc/80/24/49/292802449.db2.gz FDJIYIIFOPYHRN-NSHDSACASA-N 0 0 283.343 1.617 10 70 CDIERN COC[C@@H](C)NC(=O)[C@H](C)Oc1cccc(CO)c1 ZINC000160866005 522245264 /nfs/dbraw/zinc/24/52/64/522245264.db2.gz ZYGBRVRADFQAEC-MNOVXSKESA-N 0 0 267.325 1.097 10 70 CDIERN Cc1ccn(-c2ccccc2NC(=O)CCn2cncn2)n1 ZINC000161218309 525564464 /nfs/dbraw/zinc/56/44/64/525564464.db2.gz NLLPFCWZGVYFPJ-UHFFFAOYSA-N 0 0 296.334 1.801 10 70 CDIERN O=C(CNCC(F)(F)F)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160576029 526877751 /nfs/dbraw/zinc/87/77/51/526877751.db2.gz FXFBRFONFKOGRD-PWSUYJOCSA-N 0 0 294.317 1.292 10 70 CDIERN Cc1nn(CC(C)C)c(C)c1CC(=O)NC[C@@H](O)C(C)C ZINC000159721916 361810193 /nfs/dbraw/zinc/81/01/93/361810193.db2.gz TVSBYBOOTYPTTA-OAHLLOKOSA-N 0 0 295.427 1.832 10 70 CDIERN CCC(=O)Nc1ccc(C)c(NC(=O)NC2(CO)CC2)c1 ZINC000160838584 362183714 /nfs/dbraw/zinc/18/37/14/362183714.db2.gz SHMNFEXRPVJNEJ-UHFFFAOYSA-N 0 0 291.351 1.990 10 70 CDIERN Cc1noc(CCC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)n1 ZINC000160463231 362428607 /nfs/dbraw/zinc/42/86/07/362428607.db2.gz PGBHARMAIDAXHG-WFASDCNBSA-N 0 0 293.367 1.464 10 70 CDIERN C[C@H](NC(=O)N1CCO[C@H](C)[C@H]1C)[C@@H]1CCCO1 ZINC000159786719 299113072 /nfs/dbraw/zinc/11/30/72/299113072.db2.gz FLQLYXXDSZUQFI-QCNOEVLYSA-N 0 0 256.346 1.373 10 70 CDIERN C[C@H](C[S@@](=O)c1ccc(F)cc1)CS(C)(=O)=O ZINC000161035861 362504672 /nfs/dbraw/zinc/50/46/72/362504672.db2.gz ZJWBAJVNWNMJMF-ABKXIKBNSA-N 0 0 278.370 1.614 10 70 CDIERN CC[C@@H](N[C@H](C)c1nnc2n1CCCCC2)C(=O)OC ZINC000159528722 345202253 /nfs/dbraw/zinc/20/22/53/345202253.db2.gz ORKDUGKTELHQAZ-GHMZBOCLSA-N 0 0 280.372 1.607 10 70 CDIERN C[C@@H](NC(=O)CN1CCC(C)(O)CC1)c1ccc(F)cc1 ZINC000161206450 362631084 /nfs/dbraw/zinc/63/10/84/362631084.db2.gz OTUZLOJYGUUCQN-GFCCVEGCSA-N 0 0 294.370 1.850 10 70 CDIERN COC(=O)[C@@H](N[C@@H]1CCC(=O)N(C)C1)c1ccc(F)cc1 ZINC000161200239 188515057 /nfs/dbraw/zinc/51/50/57/188515057.db2.gz NVFSBLVGODYUAH-OCCSQVGLSA-N 0 0 294.326 1.250 10 70 CDIERN CCCC1(CNC(=O)c2cc(C(N)=O)cn2C)CC1 ZINC000160721719 360829458 /nfs/dbraw/zinc/82/94/58/360829458.db2.gz XYAYSKJWBFVVJB-UHFFFAOYSA-N 0 0 263.341 1.434 10 70 CDIERN C[C@@H](Oc1cccc(CO)c1)C(=O)NCCc1ccco1 ZINC000160553196 364002158 /nfs/dbraw/zinc/00/21/58/364002158.db2.gz QNVKFULTYZENED-GFCCVEGCSA-N 0 0 289.331 1.898 10 70 CDIERN O=C(Nc1ccc(-n2cccn2)cc1)NC1(CO)CC1 ZINC000160511289 363963436 /nfs/dbraw/zinc/96/34/36/363963436.db2.gz NXBZBMRQSWZECR-UHFFFAOYSA-N 0 0 272.308 1.519 10 70 CDIERN COc1nc(C)nc(NCCSCCCO)c1C ZINC000159380818 364195379 /nfs/dbraw/zinc/19/53/79/364195379.db2.gz OQNUQDLXVXQVBJ-UHFFFAOYSA-N 0 0 271.386 1.630 10 70 CDIERN C[C@H](NC(=O)N[C@H]1CCC(=O)N(C)C1)c1cccc(O)c1 ZINC000159779385 364263927 /nfs/dbraw/zinc/26/39/27/364263927.db2.gz ZKXIWWOYISWPJB-JQWIXIFHSA-N 0 0 291.351 1.373 10 70 CDIERN CCO[C@H](C)C(=O)N[C@H]1CCN(c2ccccc2OC)C1 ZINC000161172661 364457552 /nfs/dbraw/zinc/45/75/52/364457552.db2.gz AKEDXBJIUARVEI-OLZOCXBDSA-N 0 0 292.379 1.815 10 70 CDIERN O=C(Cn1cccn1)N1CCO[C@@H](c2cccs2)C1 ZINC000161268600 364472161 /nfs/dbraw/zinc/47/21/61/364472161.db2.gz DENXGEJHVRIKDJ-LLVKDONJSA-N 0 0 277.349 1.545 10 70 CDIERN NC(=O)c1ccc2c(c1)CCCN2Cc1noc(C2CC2)n1 ZINC000160838865 376104020 /nfs/dbraw/zinc/10/40/20/376104020.db2.gz AWVGYYIXGDXDSX-UHFFFAOYSA-N 0 0 298.346 1.999 10 70 CDIERN Cc1ccc(CNC(=O)N(C[C@@H](C)O)C(C)C)cn1 ZINC000160454019 377070152 /nfs/dbraw/zinc/07/01/52/377070152.db2.gz KHEIESWFCIRSDI-GFCCVEGCSA-N 0 0 265.357 1.691 10 70 CDIERN Cc1nc(C)c(CCC(=O)NCCC2=CCCC2)c(=O)[nH]1 ZINC000160222586 292780575 /nfs/dbraw/zinc/78/05/75/292780575.db2.gz NEVCNCGCIGRWEB-UHFFFAOYSA-N 0 0 289.379 1.936 10 70 CDIERN Cc1cccc(CNC(=O)c2cccc(=O)n2C)n1 ZINC000160440250 292787158 /nfs/dbraw/zinc/78/71/58/292787158.db2.gz HITKQPUHQDKTJG-UHFFFAOYSA-N 0 0 257.293 1.019 10 70 CDIERN CCOC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000161023037 292797926 /nfs/dbraw/zinc/79/79/26/292797926.db2.gz VZZABNRQZGMEKI-WCQYABFASA-N 0 0 265.284 1.908 10 70 CDIERN CC(C)[C@H](O)CC(=O)N[C@H](C)c1nc(C(C)(C)C)no1 ZINC000161440696 292805953 /nfs/dbraw/zinc/80/59/53/292805953.db2.gz JPSHJSALJHFNHP-NXEZZACHSA-N 0 0 283.372 1.951 10 70 CDIERN COc1cc(CCNC(=O)[C@@H]2CC[C@H](C)O2)ccc1O ZINC000159767859 482750772 /nfs/dbraw/zinc/75/07/72/482750772.db2.gz LOCHKSOZHZZBNG-GWCFXTLKSA-N 0 0 279.336 1.627 10 70 CDIERN Cc1ccc(CCC(=O)NCCSCCCO)o1 ZINC000161508791 533771065 /nfs/dbraw/zinc/77/10/65/533771065.db2.gz YVELLTWIARAMBZ-UHFFFAOYSA-N 0 0 271.382 1.752 10 70 CDIERN O=C(CCCn1cccc1)Nc1cnn(-c2ncccn2)c1 ZINC000159633132 534387148 /nfs/dbraw/zinc/38/71/48/534387148.db2.gz HKVRARNHANKXOQ-UHFFFAOYSA-N 0 0 296.334 1.883 10 70 CDIERN CC(C)(C)n1ncn(CC(=O)c2ccc(F)cc2)c1=O ZINC000159600118 519177721 /nfs/dbraw/zinc/17/77/21/519177721.db2.gz DXCVAKJMIPRUQR-UHFFFAOYSA-N 0 0 277.299 1.822 10 70 CDIERN Cc1conc1NC(=O)C(=O)NC[C@](C)(O)CCC(C)C ZINC000161361189 534756521 /nfs/dbraw/zinc/75/65/21/534756521.db2.gz BYOHCXYHNAIKOB-CQSZACIVSA-N 0 0 297.355 1.225 10 70 CDIERN O=C(N[C@H]1CCO[C@@H](C2CC2)C1)N1CCN(C2CC2)CC1 ZINC000160612465 527057354 /nfs/dbraw/zinc/05/73/54/527057354.db2.gz ZUVPGSQACWPXFX-DZGCQCFKSA-N 0 0 293.411 1.434 10 70 CDIERN CCC(=O)c1cccc(NC(=O)c2cc(C(N)=O)cn2C)c1 ZINC000160724665 528478194 /nfs/dbraw/zinc/47/81/94/528478194.db2.gz UESQHXYJCIUGDI-UHFFFAOYSA-N 0 0 299.330 1.969 10 70 CDIERN CCOc1ccccc1CCC(=O)NCC[C@@H](O)COC ZINC000161370962 528716525 /nfs/dbraw/zinc/71/65/25/528716525.db2.gz GZEWLKMVISNYQW-CQSZACIVSA-N 0 0 295.379 1.532 10 70 CDIERN CCOC(=O)c1cc(CN(C)C(=O)OC(C)(C)C)[nH]n1 ZINC000218118421 342265751 /nfs/dbraw/zinc/26/57/51/342265751.db2.gz WENOFKMTJCEGKK-UHFFFAOYSA-N 0 0 283.328 1.953 10 70 CDIERN COC1(CNC(=O)CCc2ccccc2O)CCOCC1 ZINC000159413104 539114104 /nfs/dbraw/zinc/11/41/04/539114104.db2.gz DGGZNIKBNBSHKM-UHFFFAOYSA-N 0 0 293.363 1.637 10 70 CDIERN O=C(NC1(CO)CC1)c1cc(-c2ccccc2F)on1 ZINC000160380709 539115791 /nfs/dbraw/zinc/11/57/91/539115791.db2.gz DBCHBJWNMZUNES-UHFFFAOYSA-N 0 0 276.267 1.735 10 70 CDIERN O=C(CCc1ccccc1O)NCC1(CO)CCCC1 ZINC000160294868 362408711 /nfs/dbraw/zinc/40/87/11/362408711.db2.gz UJVZOLXGPIHCRH-UHFFFAOYSA-N 0 0 277.364 1.994 10 70 CDIERN COc1ncccc1N(C)S(=O)(=O)c1c(C)noc1C ZINC000160023396 345569448 /nfs/dbraw/zinc/56/94/48/345569448.db2.gz NVWQTRMQSOSFEA-UHFFFAOYSA-N 0 0 297.336 1.520 10 70 CDIERN CNC(=O)c1cccc(CCC(=O)NCC(F)F)c1 ZINC000159420134 358506550 /nfs/dbraw/zinc/50/65/50/358506550.db2.gz DWGRZYUUEIINKT-UHFFFAOYSA-N 0 0 270.279 1.360 10 70 CDIERN CC(C)CSCCCNC(=O)c1cc(C(N)=O)cn1C ZINC000160684798 360774164 /nfs/dbraw/zinc/77/41/64/360774164.db2.gz DAHKOPBPYBIIFN-UHFFFAOYSA-N 0 0 297.424 1.633 10 70 CDIERN C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)NC2(CO)CC2)c1 ZINC000160278449 363806122 /nfs/dbraw/zinc/80/61/22/363806122.db2.gz RIMGWWZSXREYNB-MFKMUULPSA-N 0 0 288.347 1.536 10 70 CDIERN O=C(Nc1nc(C2CC2)cs1)NC1(CO)CC1 ZINC000160365819 363827703 /nfs/dbraw/zinc/82/77/03/363827703.db2.gz YVNDROOYNBVOPF-UHFFFAOYSA-N 0 0 253.327 1.667 10 70 CDIERN O=C(COC/C=C/c1ccccc1)NC1(CO)CC1 ZINC000160395730 363844231 /nfs/dbraw/zinc/84/42/31/363844231.db2.gz HQYBMQPXYJGBCI-QPJJXVBHSA-N 0 0 261.321 1.358 10 70 CDIERN O=C(C[C@H]1COC(=O)C1)N1CCO[C@@H](c2cccs2)C1 ZINC000159581166 364236665 /nfs/dbraw/zinc/23/66/65/364236665.db2.gz GDCLBGQZZSNHJP-GHMZBOCLSA-N 0 0 295.360 1.601 10 70 CDIERN Cc1ccc(N2CC[C@H](N3CCN(C4CC4)CC3)C2=O)cc1 ZINC000159719353 364255635 /nfs/dbraw/zinc/25/56/35/364255635.db2.gz UZYDHQARFXDJHS-KRWDZBQOSA-N 0 0 299.418 1.880 10 70 CDIERN C[C@@H](C(=O)N[C@@H]1CCc2ncnn2C1)c1cccs1 ZINC000159979898 364289042 /nfs/dbraw/zinc/28/90/42/364289042.db2.gz YJTMZCIMXKEFGC-NXEZZACHSA-N 0 0 276.365 1.574 10 70 CDIERN CCCN(CC(F)F)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000161257374 364469479 /nfs/dbraw/zinc/46/94/79/364469479.db2.gz BFLDQXZYKDQNEY-SECBINFHSA-N 0 0 287.314 1.280 10 70 CDIERN CC(C)C[C@@H](CO)NC(=O)[C@H](C)C1CCOCC1 ZINC000160969227 377138888 /nfs/dbraw/zinc/13/88/88/377138888.db2.gz LOLFZSRONDCEJO-YPMHNXCESA-N 0 0 257.374 1.572 10 70 CDIERN CCOC(=O)C[C@@H](C)NC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000160390657 391509409 /nfs/dbraw/zinc/50/94/09/391509409.db2.gz YSWMMEFGNDVGKT-NXEZZACHSA-N 0 0 279.340 1.288 10 70 CDIERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@H](C)SC ZINC000160133595 139909626 /nfs/dbraw/zinc/90/96/26/139909626.db2.gz VTXZTUHFWYBPPR-VHSXEESVSA-N 0 0 297.428 1.726 10 70 CDIERN O=C([C@@H]1CCCCO1)N1CCC[C@@H]1Cn1ccnc1 ZINC000160096153 304320688 /nfs/dbraw/zinc/32/06/88/304320688.db2.gz GCQIXENKEQNTHA-OLZOCXBDSA-N 0 0 263.341 1.443 10 70 CDIERN CCOCCN1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000159623457 286091265 /nfs/dbraw/zinc/09/12/65/286091265.db2.gz ITKHUHYRMNEUAZ-STQMWFEESA-N 0 0 269.341 1.440 10 70 CDIERN O=C(NC1(CO)CC1)c1ccc(C(=O)c2cc[nH]c2)cc1 ZINC000160360733 292785020 /nfs/dbraw/zinc/78/50/20/292785020.db2.gz JNYMEOWPDQQZJP-UHFFFAOYSA-N 0 0 284.315 1.500 10 70 CDIERN Cc1ccccc1[S@@](=O)C[C@H](C)CS(C)(=O)=O ZINC000161065520 292799277 /nfs/dbraw/zinc/79/92/77/292799277.db2.gz IVDCXESVGCBBII-MGPLVRAMSA-N 0 0 274.407 1.783 10 70 CDIERN Cc1noc([C@@H]2COCCN2CC2CCOCC2)n1 ZINC000161054314 302852541 /nfs/dbraw/zinc/85/25/41/302852541.db2.gz CINHJHPUVXAZTJ-LBPRGKRZSA-N 0 0 267.329 1.178 10 70 CDIERN CCN(CC)C(=O)CN1CCC[C@@H](c2nncn2CC)C1 ZINC000161318497 520479328 /nfs/dbraw/zinc/47/93/28/520479328.db2.gz FMPWHOSUKNEGKB-CYBMUJFWSA-N 0 0 293.415 1.346 10 70 CDIERN CC[C@](C)(O)CNC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000160958834 523501926 /nfs/dbraw/zinc/50/19/26/523501926.db2.gz HDWMTVQOZJJYGI-OPDFLTKYSA-N 0 0 282.384 1.404 10 70 CDIERN COC(=O)[C@@H]1CCCN(C(=O)c2ccnn2C(C)C)C1 ZINC000161372692 523685749 /nfs/dbraw/zinc/68/57/49/523685749.db2.gz RYIXGYOMHGNYIP-LLVKDONJSA-N 0 0 279.340 1.489 10 70 CDIERN COCCN(CCO)C(=O)[C@H]1CCOc2ccccc21 ZINC000160646831 523704286 /nfs/dbraw/zinc/70/42/86/523704286.db2.gz LJHSGCDRUOBQOS-ZDUSSCGKSA-N 0 0 279.336 1.020 10 70 CDIERN CC(C)CN(CC(N)=O)C(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC000159685025 527935142 /nfs/dbraw/zinc/93/51/42/527935142.db2.gz UYZPCTZNMXDTTG-KGLIPLIRSA-N 0 0 274.364 1.760 10 70 CDIERN CC[C@H](CO)N1CCN(C(=O)C(C)(CC)CC)CC1 ZINC000159442492 539114163 /nfs/dbraw/zinc/11/41/63/539114163.db2.gz VFBQZMFAMGVGED-CYBMUJFWSA-N 0 0 270.417 1.728 10 70 CDIERN CCc1cccc(CC(=O)NCC(C)(C)S(C)(=O)=O)c1 ZINC000160869656 539116877 /nfs/dbraw/zinc/11/68/77/539116877.db2.gz RHLVAVWIRGSBDC-UHFFFAOYSA-N 0 0 297.420 1.731 10 70 CDIERN Cc1[nH]c(=O)c(C(=O)NC2(CO)CC2)cc1-c1ccccc1 ZINC000160445786 342374249 /nfs/dbraw/zinc/37/42/49/342374249.db2.gz CJIBHDZNJMODBU-UHFFFAOYSA-N 0 0 298.342 1.605 10 70 CDIERN CC(C)[C@H](CCO)NC(=O)c1cccc(-n2cncn2)c1 ZINC000160797505 362174875 /nfs/dbraw/zinc/17/48/75/362174875.db2.gz INYUGPRMYLXDJX-AWEZNQCLSA-N 0 0 288.351 1.404 10 70 CDIERN Cc1ncc(CNC(=O)c2cccc3[nH]c(=O)oc32)s1 ZINC000160969121 362356209 /nfs/dbraw/zinc/35/62/09/362356209.db2.gz ZVTHTDPOPHCZOW-UHFFFAOYSA-N 0 0 289.316 1.816 10 70 CDIERN C[C@H](CO)[C@H](C)NC(=O)c1cc(=O)c2ccccc2[nH]1 ZINC000160414655 362422242 /nfs/dbraw/zinc/42/22/42/362422242.db2.gz WTEIUUWPZAKNQW-ZJUUUORDSA-N 0 0 274.320 1.275 10 70 CDIERN CO[C@]1(C)C[C@H](OC(=O)Cn2c(C)csc2=O)C1(C)C ZINC000159670406 345255519 /nfs/dbraw/zinc/25/55/19/345255519.db2.gz GVBLFBUVPSJEKZ-IINYFYTJSA-N 0 0 299.392 1.965 10 70 CDIERN C[C@H](NC(=O)CN1CCC(C)(O)CC1)c1ccc(F)cc1 ZINC000161206365 362630932 /nfs/dbraw/zinc/63/09/32/362630932.db2.gz OTUZLOJYGUUCQN-LBPRGKRZSA-N 0 0 294.370 1.850 10 70 CDIERN CC(C)C[C@H](CO)NC(=O)c1cnn2c1CCCC2 ZINC000160710190 188488241 /nfs/dbraw/zinc/48/82/41/188488241.db2.gz ZEPIYLATPMNHHB-LLVKDONJSA-N 0 0 265.357 1.356 10 70 CDIERN O=C(CNC(=O)c1cccnc1)NCCC1=CCCC1 ZINC000161174448 188513296 /nfs/dbraw/zinc/51/32/96/188513296.db2.gz ORVJNYBCLRQWAP-UHFFFAOYSA-N 0 0 273.336 1.428 10 70 CDIERN COc1cc(CNC(=O)N(C[C@H](C)O)C(C)C)ccn1 ZINC000159875752 363405686 /nfs/dbraw/zinc/40/56/86/363405686.db2.gz FVEONCMKMXXKRH-NSHDSACASA-N 0 0 281.356 1.391 10 70 CDIERN CCc1nc(CNC(=O)C[C@H](O)C(C)C)cs1 ZINC000159412351 358498952 /nfs/dbraw/zinc/49/89/52/358498952.db2.gz VRENRVDMGVUFQD-JTQLQIEISA-N 0 0 256.371 1.729 10 70 CDIERN Cc1cccc(CC(=O)N2CCS(=O)(=O)C(C)(C)C2)c1 ZINC000159991957 363556929 /nfs/dbraw/zinc/55/69/29/363556929.db2.gz AHTVNCLRRCPFBS-UHFFFAOYSA-N 0 0 295.404 1.573 10 70 CDIERN Cc1nc(NC(=O)CCn2ccccc2=O)cc(C2CC2)n1 ZINC000160247527 538848025 /nfs/dbraw/zinc/84/80/25/538848025.db2.gz LBDIXCIEUWRRNN-UHFFFAOYSA-N 0 0 298.346 1.853 10 70 CDIERN Cc1cnn(CCNc2ccc(S(C)(=O)=O)cc2)c1 ZINC000159388411 359148507 /nfs/dbraw/zinc/14/85/07/359148507.db2.gz SAOPFDFNUTXRAZ-UHFFFAOYSA-N 0 0 279.365 1.707 10 70 CDIERN CC[C@@H](CCO)NC(=O)c1cccc(NC(C)=O)c1 ZINC000160072050 360478302 /nfs/dbraw/zinc/47/83/02/360478302.db2.gz 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/nfs/dbraw/zinc/74/43/65/520744365.db2.gz GJPUTNSXONZYQZ-WDEREUQCSA-N 0 0 273.373 1.896 10 70 CDIERN CCOC(=O)CNC(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000161060233 520786724 /nfs/dbraw/zinc/78/67/24/520786724.db2.gz PYTYGQAEXFWXAC-ONGXEEELSA-N 0 0 283.274 1.748 10 70 CDIERN CC(C)(C)NC(=O)CNC(=O)N[C@H]1CCOC(C)(C)C1 ZINC000161219679 526311049 /nfs/dbraw/zinc/31/10/49/526311049.db2.gz IYIPCCXLDJARAN-JTQLQIEISA-N 0 0 285.388 1.158 10 70 CDIERN O=C(Cn1ccc(=O)c2ccccc21)NC1CC=CC1 ZINC000160819505 539116878 /nfs/dbraw/zinc/11/68/78/539116878.db2.gz UZMOILNMZHJADM-UHFFFAOYSA-N 0 0 268.316 1.836 10 70 CDIERN C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC1CC=CC1 ZINC000160945330 539117038 /nfs/dbraw/zinc/11/70/38/539117038.db2.gz CYRPUTWFRQWJDY-NSHDSACASA-N 0 0 294.376 1.188 10 70 CDIERN CCCOC(=O)[C@H](C)N1CCC(c2cc[nH]n2)CC1 ZINC000160071667 362017134 /nfs/dbraw/zinc/01/71/34/362017134.db2.gz DVEMRNSRVRMEPM-NSHDSACASA-N 0 0 265.357 1.931 10 70 CDIERN CCC(CC)NC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C 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CC[C@H](NC(=O)c1cnc2c(c1)ncn2C)[C@H]1CCCO1 ZINC000160995047 359948092 /nfs/dbraw/zinc/94/80/92/359948092.db2.gz RIWWSWXURXLFRF-WCQYABFASA-N 0 0 288.351 1.656 10 70 CDIERN O=C(NC1(CO)CC1)c1cnn(Cc2ccccc2)c1 ZINC000160225778 363784545 /nfs/dbraw/zinc/78/45/45/363784545.db2.gz AJMJZYQZECDGCD-UHFFFAOYSA-N 0 0 271.320 1.186 10 70 CDIERN O=C(NC1(CO)CC1)[C@H]1COc2ccc(Cl)cc2C1 ZINC000160413014 363855101 /nfs/dbraw/zinc/85/51/01/363855101.db2.gz PGHIQTMSUGKGBM-SNVBAGLBSA-N 0 0 281.739 1.532 10 70 CDIERN Cc1cccc2[nH]c(CNC(=O)CCn3cncn3)nc21 ZINC000160480645 363908343 /nfs/dbraw/zinc/90/83/43/363908343.db2.gz GENCREDYSQZHBD-UHFFFAOYSA-N 0 0 284.323 1.169 10 70 CDIERN CCOCCN(CC)C(=O)C(=O)Nc1c(C)onc1CC ZINC000160536342 363978626 /nfs/dbraw/zinc/97/86/26/363978626.db2.gz IAHJPOUMFYABLF-UHFFFAOYSA-N 0 0 297.355 1.369 10 70 CDIERN COc1ccc(CSCCN2CCOCC2)cn1 ZINC000159940306 364283359 /nfs/dbraw/zinc/28/33/59/364283359.db2.gz IOUVKTMSXDIVMA-UHFFFAOYSA-N 0 0 268.382 1.656 10 70 CDIERN Cn1c(=O)cccc1C(=O)N[C@@H]1CCc2c1cccc2F ZINC000160972697 364435421 /nfs/dbraw/zinc/43/54/21/364435421.db2.gz IMGYHCDJXBMCMK-CYBMUJFWSA-N 0 0 286.306 1.942 10 70 CDIERN COc1ccccc1O[C@@H](C)CNC(=O)C[C@@H](O)C(C)C ZINC000161197243 364462611 /nfs/dbraw/zinc/46/26/11/364462611.db2.gz PKCVZWYKPFKBEM-QWHCGFSZSA-N 0 0 295.379 1.986 10 70 CDIERN O=C(NC1CCCCC1)N1CCN2C(=O)CC[C@H]2C1 ZINC000160743625 364887186 /nfs/dbraw/zinc/88/71/86/364887186.db2.gz UCJRSRLOXKFYPA-LBPRGKRZSA-N 0 0 265.357 1.335 10 70 CDIERN CCC(CC)CNC(=O)N1CCN(CCOC)[C@H](C)C1 ZINC000160573926 370496228 /nfs/dbraw/zinc/49/62/28/370496228.db2.gz FPCHPEMYQXMNAO-CYBMUJFWSA-N 0 0 285.432 1.785 10 70 CDIERN CC(=O)[C@@H](NC(=O)Cn1cnc2c1CCCC2)C(C)C ZINC000216885758 390219714 /nfs/dbraw/zinc/21/97/14/390219714.db2.gz JDMDWMOTXJCEAY-HNNXBMFYSA-N 0 0 277.368 1.492 10 70 CDIERN Cc1cnn(CCNC(=O)NCc2ccc(O)c(F)c2)c1 ZINC000160290269 390978464 /nfs/dbraw/zinc/97/84/64/390978464.db2.gz XNTCTIYIVZTDBD-UHFFFAOYSA-N 0 0 292.314 1.536 10 70 CDIERN CC(C)CC[C@@](C)(O)CNC(=O)[C@@H]1CCCCO1 ZINC000159765513 139904911 /nfs/dbraw/zinc/90/49/11/139904911.db2.gz WQMDBMVSEWWOOG-GXTWGEPZSA-N 0 0 257.374 1.859 10 70 CDIERN CC[C@@H](CCO)NC(=O)[C@@H](C)NC(=O)c1ccccc1 ZINC000160097888 139909326 /nfs/dbraw/zinc/90/93/26/139909326.db2.gz DDBWSBDXRWUVGU-YPMHNXCESA-N 0 0 278.352 1.082 10 70 CDIERN CN(C(=O)c1cnc2c(c1)ncn2C)[C@@H]1CCSC1 ZINC000160997373 139911377 /nfs/dbraw/zinc/91/13/77/139911377.db2.gz NTDXXZFSFOLUDD-SNVBAGLBSA-N 0 0 276.365 1.546 10 70 CDIERN CN(CC(C)(CO)CO)c1ccnc2c(F)cc(F)cc12 ZINC000160026516 147705346 /nfs/dbraw/zinc/70/53/46/147705346.db2.gz ZCVMREIIJYPCEO-UHFFFAOYSA-N 0 0 296.317 1.940 10 70 CDIERN O=C(NC1(CO)CC1)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000160247647 292781848 /nfs/dbraw/zinc/78/18/48/292781848.db2.gz UJPDNUWKPMNADD-RKDXNWHRSA-N 0 0 267.275 1.709 10 70 CDIERN CCOC(=O)C(C)(C)N(C)C(=O)[C@@H]1OCC[C@@H]1C ZINC000160374001 292785432 /nfs/dbraw/zinc/78/54/32/292785432.db2.gz RIJWNXAOCSXFEO-VHSXEESVSA-N 0 0 257.330 1.212 10 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CDIERN CNc1ccc(C(=O)N2C[C@@H](C)N(C)[C@@H](C)C2)cn1 ZINC000160167742 362401338 /nfs/dbraw/zinc/40/13/38/362401338.db2.gz HGQLUOIPONWUKN-PHIMTYICSA-N 0 0 262.357 1.288 10 70 CDIERN Cc1cc(N2CC[C@@]3(O)CCCC[C@@H]3C2)n2ncnc2n1 ZINC000160732496 362483035 /nfs/dbraw/zinc/48/30/35/362483035.db2.gz QLWHWAKHBSSOLK-DOMZBBRYSA-N 0 0 287.367 1.564 10 70 CDIERN COCCOc1cc(C)ccc1NC(=O)NC1(CO)CC1 ZINC000161050101 362515950 /nfs/dbraw/zinc/51/59/50/362515950.db2.gz UFWSZJCDLGKHDT-UHFFFAOYSA-N 0 0 294.351 1.667 10 70 CDIERN CSCCC(=O)N1CCC(OCCCO)CC1 ZINC000160328675 345816905 /nfs/dbraw/zinc/81/69/05/345816905.db2.gz CVSDIGPPGQYJAY-UHFFFAOYSA-N 0 0 261.387 1.130 10 70 CDIERN C[C@H](CO)[C@H](C)NC(=O)CCCOc1ccccc1 ZINC000160387303 188469927 /nfs/dbraw/zinc/46/99/27/188469927.db2.gz KMVYAHNCCGPEDG-OLZOCXBDSA-N 0 0 265.353 1.979 10 70 CDIERN Cc1cc(C(=O)N2CCCC[C@H]2CC(N)=O)oc1C ZINC000159999550 363564408 /nfs/dbraw/zinc/56/44/08/363564408.db2.gz NLVDBAGTZCBDKV-NSHDSACASA-N 0 0 264.325 1.767 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)N[C@H](C)CSC ZINC000160684512 360773119 /nfs/dbraw/zinc/77/31/19/360773119.db2.gz OKPIMAKIQRTTJC-SSDOTTSWSA-N 0 0 285.369 1.352 10 70 CDIERN CNc1ncc(C(=O)N[C@H]2CCO[C@@H](C3CC3)C2)s1 ZINC000159388587 361680206 /nfs/dbraw/zinc/68/02/06/361680206.db2.gz RLRYUDZZPAVXAH-VHSXEESVSA-N 0 0 281.381 1.872 10 70 CDIERN CCc1nc(CNC(=O)N[C@H](C)CCO)cs1 ZINC000159401567 361687774 /nfs/dbraw/zinc/68/77/74/361687774.db2.gz DFBFBKPBZVWZKC-MRVPVSSYSA-N 0 0 257.359 1.276 10 70 CDIERN C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)N1S(C)(=O)=O ZINC000159437281 361703898 /nfs/dbraw/zinc/70/38/98/361703898.db2.gz RAFIYKYQERUFHN-MDZLAQPJSA-N 0 0 269.366 1.797 10 70 CDIERN Cc1cc(CN(C)C(=O)CCNC(=O)CC(C)C)no1 ZINC000160192526 364316394 /nfs/dbraw/zinc/31/63/94/364316394.db2.gz RICDUIITXPMOKU-UHFFFAOYSA-N 0 0 281.356 1.494 10 70 CDIERN CC(C)(NC(=O)COc1ccc2c(c1)CCCC2)C(N)=O ZINC000160474973 364357408 /nfs/dbraw/zinc/35/74/08/364357408.db2.gz DMALMNXZYNQROK-UHFFFAOYSA-N 0 0 290.363 1.324 10 70 CDIERN CC(C)n1ccnc1CN(C)CC(=O)NC(C)(C)C ZINC000160711961 364399889 /nfs/dbraw/zinc/39/98/89/364399889.db2.gz VPQCITZLEIJYEJ-UHFFFAOYSA-N 0 0 266.389 1.811 10 70 CDIERN CC(C)[C@@H](O)CC(=O)N1CCOc2cc(F)ccc21 ZINC000160422627 364351150 /nfs/dbraw/zinc/35/11/50/364351150.db2.gz DGBDZNZCKPDHFY-LBPRGKRZSA-N 0 0 267.300 1.958 10 70 CDIERN CCN(CCc1nccs1)C(=O)NCC(=O)NC(C)C ZINC000161275583 364473310 /nfs/dbraw/zinc/47/33/10/364473310.db2.gz WHTTXHOXOBVYHC-UHFFFAOYSA-N 0 0 298.412 1.242 10 70 CDIERN CCO[C@@H]1C[C@H](O)C12CCN(C(=O)N[C@@H](C)C(C)C)CC2 ZINC000161188490 367555146 /nfs/dbraw/zinc/55/51/46/367555146.db2.gz MTNCYYUHNCDKRH-MELADBBJSA-N 0 0 298.427 1.992 10 70 CDIERN CC(C)(C)OC(=O)N1CCC[C@]2(CNC(=O)N2)C1 ZINC000217820848 375742782 /nfs/dbraw/zinc/74/27/82/375742782.db2.gz PKVYUSBDUFITPM-LBPRGKRZSA-N 0 0 255.318 1.069 10 70 CDIERN CCc1c(C(=O)NC(C)(C)CC)[nH]c(C)c1C(N)=O ZINC000160572738 377087686 /nfs/dbraw/zinc/08/76/86/377087686.db2.gz GPMNIKIXWDDCKT-UHFFFAOYSA-N 0 0 265.357 1.903 10 70 CDIERN C[C@H](NC(=O)CCCc1nc(C2CC2)no1)[C@@H]1CCCO1 ZINC000159768767 139904888 /nfs/dbraw/zinc/90/48/88/139904888.db2.gz VTQKBQIILFEEOK-JQWIXIFHSA-N 0 0 293.367 1.953 10 70 CDIERN C[C@@H](O)CCNC(=O)Nc1ccc(-c2ncn(C)n2)cc1 ZINC000160626364 261220752 /nfs/dbraw/zinc/22/07/52/261220752.db2.gz DWNILZVPJKGZPF-SNVBAGLBSA-N 0 0 289.339 1.375 10 70 CDIERN C[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1CCC[C@@H]1CO ZINC000218040683 280090158 /nfs/dbraw/zinc/09/01/58/280090158.db2.gz MBPYXZYJAGBSHL-MRVWCRGKSA-N 0 0 290.363 1.082 10 70 CDIERN CC1(C)CN(C(=O)CC2CCC2)CCS1(=O)=O ZINC000159978370 292775007 /nfs/dbraw/zinc/77/50/07/292775007.db2.gz MURYWTOLHVGUCM-UHFFFAOYSA-N 0 0 259.371 1.212 10 70 CDIERN COc1ccc2nc(C(=O)NC3(CO)CC3)ccc2c1 ZINC000160323618 292783876 /nfs/dbraw/zinc/78/38/76/292783876.db2.gz WWYZAUPYFVWNQS-UHFFFAOYSA-N 0 0 272.304 1.498 10 70 CDIERN Cc1nn(-c2ccccc2)cc1C(=O)NC1(CO)CC1 ZINC000160539510 292789086 /nfs/dbraw/zinc/78/90/86/292789086.db2.gz PTFSBZOQACVLHE-UHFFFAOYSA-N 0 0 271.320 1.435 10 70 CDIERN Cc1nc(C(=O)N(C)Cc2ccco2)c(=O)[nH]c1C ZINC000160829310 292794898 /nfs/dbraw/zinc/79/48/98/292794898.db2.gz DJKWZNHAMKVICA-UHFFFAOYSA-N 0 0 261.281 1.252 10 70 CDIERN O=C(Nc1nnc(-c2ccsc2)s1)NC1(CO)CC1 ZINC000161257315 292803148 /nfs/dbraw/zinc/80/31/48/292803148.db2.gz RLHYJPGOFPVROM-UHFFFAOYSA-N 0 0 296.377 1.913 10 70 CDIERN COC[C@H](NC(=O)[C@H](C)C1CCOCC1)C1CC1 ZINC000161287238 292803797 /nfs/dbraw/zinc/80/37/97/292803797.db2.gz SRRFWPGJCPMTFI-MFKMUULPSA-N 0 0 255.358 1.590 10 70 CDIERN COCCc1noc(CN2CC[C@@]3(O)CCCC[C@@H]3C2)n1 ZINC000160505922 522040416 /nfs/dbraw/zinc/04/04/16/522040416.db2.gz CNZAZIDKFIURMN-DOMZBBRYSA-N 0 0 295.383 1.386 10 70 CDIERN COC[C@@H](O)CCNC(=O)[C@@H](C)Cc1ccccc1 ZINC000161195881 522390738 /nfs/dbraw/zinc/39/07/38/522390738.db2.gz BZKCEJXKCRPRMX-JSGCOSHPSA-N 0 0 265.353 1.379 10 70 CDIERN Cc1conc1NC(=O)C(=O)N(C)Cc1ccc(F)cc1 ZINC000160336711 534752690 /nfs/dbraw/zinc/75/26/90/534752690.db2.gz UEWGYNWLMZTGAN-UHFFFAOYSA-N 0 0 291.282 1.719 10 70 CDIERN COc1ccc(O[C@H](C)C(=O)N2CCC(C)(O)CC2)cc1 ZINC000161268481 524983458 /nfs/dbraw/zinc/98/34/58/524983458.db2.gz FDCSIQGMBQXXKB-GFCCVEGCSA-N 0 0 293.363 1.836 10 70 CDIERN C[C@@H](N[C@@H]1CCOC1=O)c1ccccc1-n1cccn1 ZINC000160818910 525642859 /nfs/dbraw/zinc/64/28/59/525642859.db2.gz ITOHDFOLOMOFNN-DGCLKSJQSA-N 0 0 271.320 1.838 10 70 CDIERN Cc1cc(=O)[nH]c(-c2ccc(NC(=O)[C@H]3CCOC3)cc2)n1 ZINC000161141523 526116498 /nfs/dbraw/zinc/11/64/98/526116498.db2.gz CHDISDFTIIHLSB-LBPRGKRZSA-N 0 0 299.330 1.720 10 70 CDIERN CC[C@@H]1CCC[C@@H]1NC(=O)N1CCC[C@@H]1C(=O)NC ZINC000159773749 529310514 /nfs/dbraw/zinc/31/05/14/529310514.db2.gz UQDBPCMBQYNSIN-GRYCIOLGSA-N 0 0 267.373 1.485 10 70 CDIERN CCCCOC(=O)[C@H](C)N1CCC(n2cncn2)CC1 ZINC000159909455 361924396 /nfs/dbraw/zinc/92/43/96/361924396.db2.gz GRPHLFVYYFATQB-LBPRGKRZSA-N 0 0 280.372 1.647 10 70 CDIERN CC(C)OC(=O)CCCNC(=O)N1CCOCC[C@H]1C ZINC000160197476 362053245 /nfs/dbraw/zinc/05/32/45/362053245.db2.gz HJKDTFBWFLOBJA-GFCCVEGCSA-N 0 0 286.372 1.539 10 70 CDIERN O=C(CCc1cccc(Cl)c1)NC1(CO)CC1 ZINC000160413890 342373850 /nfs/dbraw/zinc/37/38/50/342373850.db2.gz ZVENCSOXKSYVOC-UHFFFAOYSA-N 0 0 253.729 1.914 10 70 CDIERN CC(=O)Nc1cccc(C(=O)N[C@H](C)[C@H](C)CO)c1 ZINC000160288066 362408859 /nfs/dbraw/zinc/40/88/59/362408859.db2.gz FLLNSMBNLOAUKQ-NXEZZACHSA-N 0 0 264.325 1.392 10 70 CDIERN C[C@H](CCO)NC(=O)NCCCc1cccc(F)c1 ZINC000159523769 345198522 /nfs/dbraw/zinc/19/85/22/345198522.db2.gz PNCNVNDYWGILSJ-LLVKDONJSA-N 0 0 268.332 1.828 10 70 CDIERN COCCC1(CNC(=O)N2CCN(C3CC3)CC2)CC1 ZINC000161146962 237193235 /nfs/dbraw/zinc/19/32/35/237193235.db2.gz ZVCQWENLEDPKAV-UHFFFAOYSA-N 0 0 281.400 1.293 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)N[C@@H](CC)COC ZINC000160732002 360853341 /nfs/dbraw/zinc/85/33/41/360853341.db2.gz UPJNFINMRWWOBY-VIFPVBQESA-N 0 0 283.328 1.025 10 70 CDIERN CC[C@@H](C(=O)N(C)CCOC)c1c(C)noc1C ZINC000160730259 360862804 /nfs/dbraw/zinc/86/28/04/360862804.db2.gz YNLLFDKAGVKVBJ-LLVKDONJSA-N 0 0 254.330 1.890 10 70 CDIERN O=C(CCc1cnn(-c2ccccc2)c1)NC1(CO)CC1 ZINC000160231509 363778031 /nfs/dbraw/zinc/77/80/31/363778031.db2.gz WLLWKWXFXRBJSZ-UHFFFAOYSA-N 0 0 285.347 1.446 10 70 CDIERN Cc1cccc2[nH]c(CNC(=O)c3cnns3)nc21 ZINC000160280843 363806493 /nfs/dbraw/zinc/80/64/93/363806493.db2.gz XTHUOYZELIJNNW-UHFFFAOYSA-N 0 0 273.321 1.653 10 70 CDIERN Cc1ccc(OCCN(C)C(=O)C[C@@H]2COC(=O)C2)cc1 ZINC000159675961 364249121 /nfs/dbraw/zinc/24/91/21/364249121.db2.gz CGVGROUWPJOQLG-ZDUSSCGKSA-N 0 0 291.347 1.785 10 70 CDIERN C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H](O)c1ccccc1 ZINC000159540518 364230588 /nfs/dbraw/zinc/23/05/88/364230588.db2.gz JQFIWSIMEWRILE-HIFRSBDPSA-N 0 0 276.380 1.711 10 70 CDIERN COc1ccc(N(C)C(=O)[C@@H]2CNC(=O)C2)cc1Cl ZINC000160295728 364330518 /nfs/dbraw/zinc/33/05/18/364330518.db2.gz DWFDOQZCLBIBNW-QMMMGPOBSA-N 0 0 282.727 1.448 10 70 CDIERN Cc1nc(-c2ccccc2)ncc1C(=O)NC(C)(C)C(N)=O ZINC000160479837 364359203 /nfs/dbraw/zinc/35/92/03/364359203.db2.gz RKRBNGPSNLOLDP-UHFFFAOYSA-N 0 0 298.346 1.446 10 70 CDIERN Cc1ccc(F)c(NC(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000161294989 364476160 /nfs/dbraw/zinc/47/61/60/364476160.db2.gz WCNJILCTHUDWMA-SNVBAGLBSA-N 0 0 289.314 1.862 10 70 CDIERN Cc1cc(C[C@H](C)NC(=O)[C@@H]2COc3ccccc32)[nH]n1 ZINC000161317072 364477540 /nfs/dbraw/zinc/47/75/40/364477540.db2.gz CXYCFGQZGPTIJS-IINYFYTJSA-N 0 0 285.347 1.942 10 70 CDIERN Cc1cc(C[C@H](C)NC(=O)c2cnc3onc(C)c3c2)[nH]n1 ZINC000161496339 364502369 /nfs/dbraw/zinc/50/23/69/364502369.db2.gz LWHKVEHKGDSIGK-QMMMGPOBSA-N 0 0 299.334 1.924 10 70 CDIERN CCCNC(=O)CCC(=O)N[C@H](C)Cc1cc(C)n[nH]1 ZINC000161185889 364460515 /nfs/dbraw/zinc/46/05/15/364460515.db2.gz DWZPAOISCYHGOR-SNVBAGLBSA-N 0 0 280.372 1.072 10 70 CDIERN CCn1nc(C)cc1C(=O)N(C)CCc1ccccn1 ZINC000161370816 373509236 /nfs/dbraw/zinc/50/92/36/373509236.db2.gz QKBKUMCJTZTOBI-UHFFFAOYSA-N 0 0 272.352 1.921 10 70 CDIERN CC[C@@H](O)CCNC(=O)c1ccc2c(c1O)OC(C)(C)C2 ZINC000160881271 377122744 /nfs/dbraw/zinc/12/27/44/377122744.db2.gz YLGKNLUSZITVRZ-LLVKDONJSA-N 0 0 293.363 1.997 10 70 CDIERN COc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)O3)c(F)c1 ZINC000217720332 140165480 /nfs/dbraw/zinc/16/54/80/140165480.db2.gz JMTIDVFHNQAZEO-PHIMTYICSA-N 0 0 265.284 1.838 10 70 CDIERN Cn1cnc2cc(C(=O)NCCOC3CCCC3)cnc21 ZINC000160172326 147711166 /nfs/dbraw/zinc/71/11/66/147711166.db2.gz ZOECUTRHNSXSFE-UHFFFAOYSA-N 0 0 288.351 1.657 10 70 CDIERN CC[C@H]1CCCC[C@@H]1N(C)C(=O)CCN1C(=O)CCC1=O ZINC000161164195 264272249 /nfs/dbraw/zinc/27/22/49/264272249.db2.gz PQVMYVONIJZVGX-STQMWFEESA-N 0 0 294.395 1.953 10 70 CDIERN CC(C)(CNC(=O)[C@@H]1C[C@H]1C1CCCCC1)C(N)=O ZINC000160885726 278619030 /nfs/dbraw/zinc/61/90/30/278619030.db2.gz QEBHQNJHTQYGDM-NWDGAFQWSA-N 0 0 266.385 1.831 10 70 CDIERN COC(=O)[C@H](NC(=O)[C@H]1CC[C@@H](C)O1)c1ccccc1 ZINC000217696944 280089338 /nfs/dbraw/zinc/08/93/38/280089338.db2.gz XGGNRZGOBCXFMY-RAIGVLPGSA-N 0 0 277.320 1.584 10 70 CDIERN CC1(C)CN(C(=O)CCC2CCC2)CCS1(=O)=O ZINC000159887161 281162945 /nfs/dbraw/zinc/16/29/45/281162945.db2.gz WJFBDVVBTHACFI-UHFFFAOYSA-N 0 0 273.398 1.602 10 70 CDIERN Cc1nc(CNC(=O)NC2C[C@@H](C)O[C@H](C)C2)no1 ZINC000159409981 292758114 /nfs/dbraw/zinc/75/81/14/292758114.db2.gz CPNDBQLBKMWZIB-HTQZYQBOSA-N 0 0 268.317 1.133 10 70 CDIERN CNC(=O)c1cccc(CCC(=O)NC2CCOCC2)c1 ZINC000159563735 292761781 /nfs/dbraw/zinc/76/17/81/292761781.db2.gz RJHPFURCFJXVPF-UHFFFAOYSA-N 0 0 290.363 1.274 10 70 CDIERN CCOC(=O)[C@@H](C)N[C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159906562 292772902 /nfs/dbraw/zinc/77/29/02/292772902.db2.gz ANKASHUSRIKXNC-VXGBXAGGSA-N 0 0 288.351 1.870 10 70 CDIERN O=C(CCc1ncc(-c2ccccc2)o1)NC1(CO)CC1 ZINC000160252993 292781990 /nfs/dbraw/zinc/78/19/90/292781990.db2.gz XRHZLXWTPYMJMP-UHFFFAOYSA-N 0 0 286.331 1.915 10 70 CDIERN Cc1ccccc1S(=O)(=O)C[C@H](C)CS(C)(=O)=O ZINC000160358604 292784752 /nfs/dbraw/zinc/78/47/52/292784752.db2.gz VPNIBSOKBLTXBO-SNVBAGLBSA-N 0 0 290.406 1.449 10 70 CDIERN CC[C@H](C)OCC(=O)N(C)[C@H](C)C(=O)OC(C)(C)C ZINC000160461348 292787819 /nfs/dbraw/zinc/78/78/19/292787819.db2.gz GJRWXPPDNWJLHQ-WDEREUQCSA-N 0 0 273.373 1.990 10 70 CDIERN CCc1cc(C)c(C(=O)N(CCOC)CC(=O)OC)o1 ZINC000160593418 292790649 /nfs/dbraw/zinc/79/06/49/292790649.db2.gz SUBPJBYXPFBEGD-UHFFFAOYSA-N 0 0 283.324 1.412 10 70 CDIERN Cc1cccc(CNC(=O)CNC(=O)CC2CCCC2)n1 ZINC000160650932 292792365 /nfs/dbraw/zinc/79/23/65/292792365.db2.gz OEEGGCPFFBAMTK-UHFFFAOYSA-N 0 0 289.379 1.703 10 70 CDIERN O=C(Nc1nc[nH]n1)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000161021140 292797894 /nfs/dbraw/zinc/79/78/94/292797894.db2.gz KGAYUKJDXFDSDK-CBAPKCEASA-N 0 0 264.235 1.825 10 70 CDIERN O=C(Nc1cccc2c1OCCO2)NC1(CO)CC1 ZINC000161161817 292801124 /nfs/dbraw/zinc/80/11/24/292801124.db2.gz QWLKJHYEPOCKAO-UHFFFAOYSA-N 0 0 264.281 1.104 10 70 CDIERN O=C(N1CCO[C@H]2CCCC[C@H]21)C1(O)CCSCC1 ZINC000159971093 303686946 /nfs/dbraw/zinc/68/69/46/303686946.db2.gz BNPJWADTSQAANW-NEPJUHHUSA-N 0 0 285.409 1.415 10 70 CDIERN COC(=O)CCN1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000160664862 523073693 /nfs/dbraw/zinc/07/36/93/523073693.db2.gz NGCNYHPMLYSJPV-LBPRGKRZSA-N 0 0 292.383 1.705 10 70 CDIERN COC(=O)NCC(=O)N1CC=C(c2ccccc2F)CC1 ZINC000159629657 523435947 /nfs/dbraw/zinc/43/59/47/523435947.db2.gz JVUAQEDOAPYWPO-UHFFFAOYSA-N 0 0 292.310 1.797 10 70 CDIERN CN(C)C(=O)CN(C)Cc1nnc(-c2ccccc2)n1C ZINC000160706639 523985253 /nfs/dbraw/zinc/98/52/53/523985253.db2.gz LOSJBHMRLMBDQG-UHFFFAOYSA-N 0 0 287.367 1.002 10 70 CDIERN C[C@@H](CO)N(C)C(=O)CCc1nnc(-c2ccsc2)o1 ZINC000160409901 524779988 /nfs/dbraw/zinc/77/99/88/524779988.db2.gz NCUICIPISYSBEU-VIFPVBQESA-N 0 0 295.364 1.570 10 70 CDIERN CCC(=O)N[C@@H]1CCCN(C(=O)Nc2ccc(C)nc2)C1 ZINC000161478513 539117851 /nfs/dbraw/zinc/11/78/51/539117851.db2.gz ZYVOHPOQHYTZHH-CYBMUJFWSA-N 0 0 290.367 1.913 10 70 CDIERN O[C@@]12CCCC[C@@H]1CN(c1nccn3cnnc13)CC2 ZINC000160671194 362466472 /nfs/dbraw/zinc/46/64/72/362466472.db2.gz CVDQITCUXZKQDP-BXUZGUMPSA-N 0 0 273.340 1.256 10 70 CDIERN COc1ccc2nc(C(=O)N[C@H]3CCC[C@@H]3O)ccc2c1 ZINC000161202451 365961905 /nfs/dbraw/zinc/96/19/05/365961905.db2.gz ALBDXTLVOPQYKL-ZFWWWQNUSA-N 0 0 286.331 1.887 10 70 CDIERN O=C(NCc1ccccc1F)N[C@@H]1C[C@@H]2OCC[C@H]12 ZINC000217122318 358981276 /nfs/dbraw/zinc/98/12/76/358981276.db2.gz BENZBSREKPUTTA-RTXFEEFZSA-N 0 0 264.300 1.802 10 70 CDIERN C[C@H]1C[C@H]1NC(=O)NCCc1nnc(-c2ccccc2)o1 ZINC000160061577 237166661 /nfs/dbraw/zinc/16/66/61/237166661.db2.gz MTVRYGFADRFLSM-CMPLNLGQSA-N 0 0 286.335 1.987 10 70 CDIERN O=C(Nc1cn[nH]c1)[C@@H]1CCC[C@H]1C(=O)Nc1cn[nH]c1 ZINC000159830996 364271609 /nfs/dbraw/zinc/27/16/09/364271609.db2.gz NYHGPXSNZXVKQV-GHMZBOCLSA-N 0 0 288.311 1.126 10 70 CDIERN COC(=O)NCc1ccc(NC(=O)C[C@@H](O)C(C)C)cc1 ZINC000160357807 364339045 /nfs/dbraw/zinc/33/90/45/364339045.db2.gz LHSSLZAWIWXZOD-CYBMUJFWSA-N 0 0 294.351 1.888 10 70 CDIERN CCn1nc(C)cc1C(=O)NC[C@H](C)Cn1ccnc1C ZINC000161287495 368231749 /nfs/dbraw/zinc/23/17/49/368231749.db2.gz QGSBLHSOLDWYQH-NSHDSACASA-N 0 0 289.383 1.782 10 70 CDIERN CC(C)NC(=O)CN(C)C(=O)[C@@H](C)C1CCOCC1 ZINC000160281153 377044549 /nfs/dbraw/zinc/04/45/49/377044549.db2.gz SYIKXHBNBYKZMB-NSHDSACASA-N 0 0 270.373 1.032 10 70 CDIERN Cc1nnc2c(N3CCC([C@H](C)O)CC3)nccn12 ZINC000218053062 140164696 /nfs/dbraw/zinc/16/46/96/140164696.db2.gz MRDDZJBJLSSYQP-VIFPVBQESA-N 0 0 261.329 1.030 10 70 CDIERN CCc1ccc(CNc2ccc(C(N)=O)nn2)cc1 ZINC000218050800 140165411 /nfs/dbraw/zinc/16/54/11/140165411.db2.gz SKFIWNQGRXRFKT-UHFFFAOYSA-N 0 0 256.309 1.750 10 70 CDIERN CCCC(=O)NCC(=O)N[C@H]1CCOC2(CCCC2)C1 ZINC000159721218 147701787 /nfs/dbraw/zinc/70/17/87/147701787.db2.gz RZKBYMWTFVLCPS-LBPRGKRZSA-N 0 0 282.384 1.511 10 70 CDIERN C[C@@H]1CN(C(=O)c2cnc(C(F)(F)F)nc2)C[C@@H](C)O1 ZINC000159707449 292766842 /nfs/dbraw/zinc/76/68/42/292766842.db2.gz AKJZXTOIMXMTNY-HTQZYQBOSA-N 0 0 289.257 1.745 10 70 CDIERN CCc1cccc(OCC(=O)N[C@@H](C)[C@@H](C)CO)c1 ZINC000160270692 292782556 /nfs/dbraw/zinc/78/25/56/292782556.db2.gz NGPLUNLNTNHBKH-RYUDHWBXSA-N 0 0 265.353 1.761 10 70 CDIERN C[C@@H](SCc1ccccc1)C(=O)NC1(CO)CC1 ZINC000160331155 292784437 /nfs/dbraw/zinc/78/44/37/292784437.db2.gz DXCHLFNXSIOEST-LLVKDONJSA-N 0 0 265.378 1.949 10 70 CDIERN CCC[C@H](NC(=O)[C@H]1CCNC(=O)C1)C(=O)OC(C)(C)C ZINC000161450904 521141018 /nfs/dbraw/zinc/14/10/18/521141018.db2.gz FWYBOGFJIIGPMG-QWRGUYRKSA-N 0 0 298.383 1.139 10 70 CDIERN CC(C)CNC(=O)N1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC000160672578 519735755 /nfs/dbraw/zinc/73/57/55/519735755.db2.gz ASBRLXHPKRRUQC-VXGBXAGGSA-N 0 0 267.373 1.343 10 70 CDIERN CCC[C@@H](NC(=O)COCC)C(=O)OC(C)(C)C ZINC000161418556 520734304 /nfs/dbraw/zinc/73/43/04/520734304.db2.gz UFNRKFPYZOKFHZ-SNVBAGLBSA-N 0 0 259.346 1.650 10 70 CDIERN CCC[C@H](NC(=O)[C@H]1CCCO1)C(=O)OC(C)(C)C ZINC000161463339 521141336 /nfs/dbraw/zinc/14/13/36/521141336.db2.gz UIHLEENOYMNDJA-WDEREUQCSA-N 0 0 271.357 1.792 10 70 CDIERN CC1(C)CN(C(=O)c2ccc(F)cc2)CCS1(=O)=O ZINC000160128922 529105359 /nfs/dbraw/zinc/10/53/59/529105359.db2.gz ALBIJFUGPGNLKK-UHFFFAOYSA-N 0 0 285.340 1.475 10 70 CDIERN C[C@H](CC(=O)O[C@@H](C)CN1CCOCC1)C(F)(F)F ZINC000218242978 617569618 /nfs/dbraw/zinc/56/96/18/617569618.db2.gz LNIVQFFKRHPALA-ZJUUUORDSA-N 0 0 283.290 1.839 10 70 CDIERN CC(C)C[C@H](C)S(=O)(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000159866464 361888630 /nfs/dbraw/zinc/88/86/30/361888630.db2.gz OEUIRAIXJBJTOD-GLQYFDAESA-N 0 0 297.420 1.999 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)N[C@@H](COC)C(C)C ZINC000160779208 362168503 /nfs/dbraw/zinc/16/85/03/362168503.db2.gz LEHZNWKTPVVOFK-NSHDSACASA-N 0 0 297.355 1.271 10 70 CDIERN O=C(c1cncc(O)c1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160482054 362431610 /nfs/dbraw/zinc/43/16/10/362431610.db2.gz LSGSBYBETNSQDR-DOMZBBRYSA-N 0 0 276.336 1.554 10 70 CDIERN CCc1cc(C)c(C(=O)N[C@](C)(COC)CC(=O)OC)o1 ZINC000160997811 362441682 /nfs/dbraw/zinc/44/16/82/362441682.db2.gz LKCZYDJGBOAXFY-HNNXBMFYSA-N 0 0 297.351 1.848 10 70 CDIERN CN(Cc1nsc(N(C)C)n1)C[C@H]1CCCOC1 ZINC000160094877 530032369 /nfs/dbraw/zinc/03/23/69/530032369.db2.gz UJVCQTFCCKRENN-SNVBAGLBSA-N 0 0 270.402 1.463 10 70 CDIERN CCc1nc(CNC(=O)c2ccc(OC)nn2)cs1 ZINC000159425025 344894043 /nfs/dbraw/zinc/89/40/43/344894043.db2.gz XWHJGGCEGHYBHM-UHFFFAOYSA-N 0 0 278.337 1.434 10 70 CDIERN Cc1ncsc1C(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000159919026 362572701 /nfs/dbraw/zinc/57/27/01/362572701.db2.gz GZRCQAZNQHAVDY-UHFFFAOYSA-N 0 0 288.394 1.101 10 70 CDIERN COc1ccc2nc(NC(=O)NC3(CO)CC3)sc2c1 ZINC000159695214 363202352 /nfs/dbraw/zinc/20/23/52/363202352.db2.gz ZZUWMCQOFXVDLO-UHFFFAOYSA-N 0 0 293.348 1.951 10 70 CDIERN Cn1nccc1CNC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000159759493 188440215 /nfs/dbraw/zinc/44/02/15/188440215.db2.gz GZNVLWRJHVPBOG-DOMZBBRYSA-N 0 0 292.383 1.257 10 70 CDIERN Cc1cc(NC(=O)[C@H](C)c2cccnc2)c[nH]c1=O ZINC000159825465 363354349 /nfs/dbraw/zinc/35/43/49/363354349.db2.gz STHWDEPMSBEXMP-SNVBAGLBSA-N 0 0 257.293 1.821 10 70 CDIERN O=C(Cc1ccc(C(F)(F)F)cc1)NC1(CO)CC1 ZINC000159818862 237158845 /nfs/dbraw/zinc/15/88/45/237158845.db2.gz OYJHDDIAEPUHTN-UHFFFAOYSA-N 0 0 273.254 1.889 10 70 CDIERN COC(=O)CCCCNC(=O)N(C)C[C@H]1CCC[C@H]1O ZINC000160125226 363677041 /nfs/dbraw/zinc/67/70/41/363677041.db2.gz NGBJMQYGNASKFQ-VXGBXAGGSA-N 0 0 286.372 1.132 10 70 CDIERN Cc1cc(C[C@@H](C)NC(=O)NCc2ncccc2F)[nH]n1 ZINC000160754585 361191738 /nfs/dbraw/zinc/19/17/38/361191738.db2.gz UXYNCQBQEXCVSO-SECBINFHSA-N 0 0 291.330 1.683 10 70 CDIERN CCc1cccc(OCC(=O)N[C@H](C)[C@@H](C)CO)c1 ZINC000160270803 363794900 /nfs/dbraw/zinc/79/49/00/363794900.db2.gz NGPLUNLNTNHBKH-NWDGAFQWSA-N 0 0 265.353 1.761 10 70 CDIERN CCOC(C)(C)CNC(=O)Cc1cccc(O)c1 ZINC000159486731 361716347 /nfs/dbraw/zinc/71/63/47/361716347.db2.gz CNTUHOAKGAAWKT-UHFFFAOYSA-N 0 0 251.326 1.866 10 70 CDIERN O=C(NC1(CO)CC1)c1cccc(OCC(F)(F)F)n1 ZINC000160359934 363833075 /nfs/dbraw/zinc/83/30/75/363833075.db2.gz RANCUJBKSUEJTQ-UHFFFAOYSA-N 0 0 290.241 1.277 10 70 CDIERN CONC(=O)c1cccc(OCC(F)(F)F)n1 ZINC000159423068 364204615 /nfs/dbraw/zinc/20/46/15/364204615.db2.gz HHHIWXOPAIRPDD-UHFFFAOYSA-N 0 0 250.176 1.314 10 70 CDIERN C[C@@H](O)CCNC(=O)[C@H](C)c1c(F)cccc1F ZINC000159554011 364233347 /nfs/dbraw/zinc/23/33/47/364233347.db2.gz IBLOEGOIAYRLHH-RKDXNWHRSA-N 0 0 257.280 1.955 10 70 CDIERN COc1cccc(Cl)c1CC(=O)Nc1ncnn1C ZINC000160714689 364400638 /nfs/dbraw/zinc/40/06/38/364400638.db2.gz MIQXYSVATSXSCC-UHFFFAOYSA-N 0 0 280.715 1.658 10 70 CDIERN C[C@H](NC(=O)NOCc1cccnc1)[C@H]1CCCO1 ZINC000161093727 364446946 /nfs/dbraw/zinc/44/69/46/364446946.db2.gz UOWDGIVQPXOYSB-CMPLNLGQSA-N 0 0 265.313 1.380 10 70 CDIERN C[C@H](Cn1cncn1)NC(=O)c1c(F)cc(F)cc1F ZINC000160854651 364419596 /nfs/dbraw/zinc/41/95/96/364419596.db2.gz RBVDUYSWYIGDFE-SSDOTTSWSA-N 0 0 284.241 1.514 10 70 CDIERN CCOC(=O)c1c(O)ccc(OS(C)(=O)=O)c1C ZINC000217962296 375767652 /nfs/dbraw/zinc/76/76/52/375767652.db2.gz BHFDQJIEUSHRTF-UHFFFAOYSA-N 0 0 274.294 1.216 10 70 CDIERN CN(C)c1nccc(N2CC[C@@]3(O)CCCC[C@@H]3C2)n1 ZINC000160674139 279875606 /nfs/dbraw/zinc/87/56/06/279875606.db2.gz ZGWNSACCVZIXMZ-DOMZBBRYSA-N 0 0 276.384 1.674 10 70 CDIERN COc1ccc(O[C@@H](C)C(=O)N[C@@H]2CCC[C@@H]2CO)cc1 ZINC000218000213 280090093 /nfs/dbraw/zinc/09/00/93/280090093.db2.gz KFWAOKDXKURZDH-YWPYICTPSA-N 0 0 293.363 1.740 10 70 CDIERN CNC(=O)[C@@H]1CCCN1C(=O)NC[C@@]1(C)CCCS1 ZINC000159811366 292770145 /nfs/dbraw/zinc/77/01/45/292770145.db2.gz WGYUFYQLPODNHC-GXFFZTMASA-N 0 0 285.413 1.192 10 70 CDIERN COc1ccc(C(=O)Nc2cc(C3CC3)nc(C)n2)nn1 ZINC000160011230 292775821 /nfs/dbraw/zinc/77/58/21/292775821.db2.gz FUXUOAOBDOICAV-UHFFFAOYSA-N 0 0 285.307 1.713 10 70 CDIERN C[C@@H](C(=O)NCCCOCC1CC1)C1CCOCC1 ZINC000160230851 292781229 /nfs/dbraw/zinc/78/12/29/292781229.db2.gz WJTDBENQEQEJOW-GFCCVEGCSA-N 0 0 269.385 1.982 10 70 CDIERN C[C@H](CS(C)(=O)=O)CS(=O)(=O)c1ccccc1F ZINC000160345409 292784573 /nfs/dbraw/zinc/78/45/73/292784573.db2.gz ZLPZENGOBWNFAW-SECBINFHSA-N 0 0 294.369 1.280 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)N[C@H](CC)COC ZINC000160732115 292793719 /nfs/dbraw/zinc/79/37/19/292793719.db2.gz UPJNFINMRWWOBY-SECBINFHSA-N 0 0 283.328 1.025 10 70 CDIERN CCOC(CN1CCOC[C@H]1c1nc(C)no1)OCC ZINC000161130660 521631319 /nfs/dbraw/zinc/63/13/19/521631319.db2.gz LUOANCCDWTZWLO-NSHDSACASA-N 0 0 285.344 1.150 10 70 CDIERN C[C@@H](CO)N(C)C(=O)CCc1cc2ccccc2[nH]c1=O ZINC000160568723 524780387 /nfs/dbraw/zinc/78/03/87/524780387.db2.gz OSRYBFLCJQMYNU-NSHDSACASA-N 0 0 288.347 1.300 10 70 CDIERN CC(C)(C)n1ncn(Cc2nc(-c3ccccc3)no2)c1=O ZINC000159598985 361746199 /nfs/dbraw/zinc/74/61/99/361746199.db2.gz KAWSAWBWTQRBRN-UHFFFAOYSA-N 0 0 299.334 1.898 10 70 CDIERN Cc1cc(CN(C)C(=O)c2ccnc(-n3cccn3)c2)no1 ZINC000159637362 361754893 /nfs/dbraw/zinc/75/48/93/361754893.db2.gz DARIEGGNRBHQNL-UHFFFAOYSA-N 0 0 297.318 1.836 10 70 CDIERN COCCN(CCOC)c1nnc(C(C)C)s1 ZINC000159854406 361883486 /nfs/dbraw/zinc/88/34/86/361883486.db2.gz VEFVJQVLMCEUAL-UHFFFAOYSA-N 0 0 259.375 1.761 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)N[C@@H](C)C1CC1 ZINC000160000502 539115164 /nfs/dbraw/zinc/11/51/64/539115164.db2.gz ZMAICGBWAYAMDH-ZETCQYMHSA-N 0 0 265.313 1.399 10 70 CDIERN CC[C@H](NS(=O)(=O)N1CCCCC1)c1nccs1 ZINC000159947706 529641916 /nfs/dbraw/zinc/64/19/16/529641916.db2.gz PHZGYFVKSBYMMI-JTQLQIEISA-N 0 0 289.426 1.915 10 70 CDIERN CC(C)OC(=O)CCCNC(=O)N(C)C[C@@H]1CCCO1 ZINC000160108757 362027433 /nfs/dbraw/zinc/02/74/33/362027433.db2.gz UHFQAAKQABICOR-LBPRGKRZSA-N 0 0 286.372 1.539 10 70 CDIERN CCOC(=O)C[C@@H](C)NC(=O)c1ncccc1OC(C)C ZINC000160236265 362074010 /nfs/dbraw/zinc/07/40/10/362074010.db2.gz LYKAFOWHCZJNIQ-LLVKDONJSA-N 0 0 294.351 1.940 10 70 CDIERN C[C@@H](CO)[C@@H](C)NC(=O)c1ccnc2ccccc21 ZINC000160367956 362417447 /nfs/dbraw/zinc/41/74/47/362417447.db2.gz UFNAZNKHMCILGP-WDEREUQCSA-N 0 0 258.321 1.982 10 70 CDIERN Cc1conc1NC(=O)C(=O)N[C@H]1c2ccccc2C[C@H]1C ZINC000161158940 362703656 /nfs/dbraw/zinc/70/36/56/362703656.db2.gz ARMPHXPTHRCIJN-NOZJJQNGSA-N 0 0 299.330 1.971 10 70 CDIERN Cn1cnc2cc(C(=O)N[C@@H]3C=CCCC3)cnc21 ZINC000159965208 362834152 /nfs/dbraw/zinc/83/41/52/362834152.db2.gz SVGRBYRUIHSFJH-LLVKDONJSA-N 0 0 256.309 1.807 10 70 CDIERN C[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@H]1CCC[C@@H]1O ZINC000161186950 365960112 /nfs/dbraw/zinc/96/01/12/365960112.db2.gz MNIMVRKJSSIQNK-DRZSPHRISA-N 0 0 291.351 1.226 10 70 CDIERN CCCCN(C)S(=O)(=O)NCCc1ccccc1O ZINC000159670145 188436589 /nfs/dbraw/zinc/43/65/89/188436589.db2.gz OPLQCEQIKJTXHZ-UHFFFAOYSA-N 0 0 286.397 1.501 10 70 CDIERN CCOCCC1(CNC(=O)NCc2ccnn2C)CCC1 ZINC000159761412 188440396 /nfs/dbraw/zinc/44/03/96/188440396.db2.gz ACSOVJIVQRFHAR-UHFFFAOYSA-N 0 0 294.399 1.816 10 70 CDIERN NC(=O)COc1ccc(C(=O)NCCC2=CCCC2)cc1 ZINC000161210042 188515978 /nfs/dbraw/zinc/51/59/78/188515978.db2.gz GVMGXEPSRXSOOX-UHFFFAOYSA-N 0 0 288.347 1.781 10 70 CDIERN C[C@H]1CN(Cc2nsc(N(C)C)n2)CCS1 ZINC000159841445 237159795 /nfs/dbraw/zinc/15/97/95/237159795.db2.gz CFJGJCWSOCDFTD-QMMMGPOBSA-N 0 0 258.416 1.541 10 70 CDIERN CC(C)NC(=O)c1ccc(C(=O)NC2(CO)CC2)cc1 ZINC000160254787 363798231 /nfs/dbraw/zinc/79/82/31/363798231.db2.gz JVBVBYUKSADYIC-UHFFFAOYSA-N 0 0 276.336 1.080 10 70 CDIERN Cc1cccc2[nH]c(CNC(=O)C(=O)c3cnn(C)c3)nc21 ZINC000160311067 363819458 /nfs/dbraw/zinc/81/94/58/363819458.db2.gz BJHHRBCUNMJEMA-UHFFFAOYSA-N 0 0 297.318 1.104 10 70 CDIERN Cc1cc(C[C@H](C)NC(=O)c2ccc3nncn3c2)[nH]n1 ZINC000161159558 364455468 /nfs/dbraw/zinc/45/54/68/364455468.db2.gz JFHWNNHYKIBEJO-VIFPVBQESA-N 0 0 284.323 1.122 10 70 CDIERN Cn1nccc1COc1cc(Cl)ccc1C(N)=O ZINC000161353792 377601234 /nfs/dbraw/zinc/60/12/34/377601234.db2.gz RGBJYSQJVAKNMR-UHFFFAOYSA-N 0 0 265.700 1.751 10 70 CDIERN COC(=O)[C@@H]1CCCN([C@@H](C)C(=O)Nc2ccccc2)C1 ZINC000218050382 140164526 /nfs/dbraw/zinc/16/45/26/140164526.db2.gz UEODJMGZBPTBBF-QWHCGFSZSA-N 0 0 290.363 1.899 10 70 CDIERN CC1(C)C[C@H](NC(=O)[C@H]2CCC(=O)N2)c2ccccc2O1 ZINC000159976262 276147613 /nfs/dbraw/zinc/14/76/13/276147613.db2.gz MMWKGACJRHMTSL-NEPJUHHUSA-N 0 0 288.347 1.684 10 70 CDIERN CC(C)[C@H](O)CNC(=O)[C@H](C)Oc1cccc(CO)c1 ZINC000160002023 292775839 /nfs/dbraw/zinc/77/58/39/292775839.db2.gz LDHYKJSLPXCQJE-SMDDNHRTSA-N 0 0 281.352 1.079 10 70 CDIERN CCNC(=O)CN(CC)Cc1ncc(C)c(OC)c1C ZINC000160964872 292797295 /nfs/dbraw/zinc/79/72/95/292797295.db2.gz QNVXGNUTXLDFJA-UHFFFAOYSA-N 0 0 279.384 1.665 10 70 CDIERN CCOC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000161023291 292797887 /nfs/dbraw/zinc/79/78/87/292797887.db2.gz VZZABNRQZGMEKI-AAEUAGOBSA-N 0 0 265.284 1.908 10 70 CDIERN Cc1cccc([S@@](=O)C[C@@H](C)CS(C)(=O)=O)c1 ZINC000161067785 292799229 /nfs/dbraw/zinc/79/92/29/292799229.db2.gz WKHYOCSRCNBTGQ-BDJLRTHQSA-N 0 0 274.407 1.783 10 70 CDIERN CCCS(=O)(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000159395393 520535542 /nfs/dbraw/zinc/53/55/42/520535542.db2.gz DTEIYWHWKBTIOA-SNVBAGLBSA-N 0 0 286.401 1.046 10 70 CDIERN CCOC(=O)CNC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000161060137 520788015 /nfs/dbraw/zinc/78/80/15/520788015.db2.gz PYTYGQAEXFWXAC-GXSJLCMTSA-N 0 0 283.274 1.748 10 70 CDIERN Cn1cc(CC(=O)N2CCO[C@H](c3cccs3)C2)cn1 ZINC000161281082 527178809 /nfs/dbraw/zinc/17/88/09/527178809.db2.gz WBODGPUZIFIQIA-LBPRGKRZSA-N 0 0 291.376 1.624 10 70 CDIERN C[C@@H](CO)N(C)C(=O)c1ccn(-c2cccc(F)c2)n1 ZINC000160413849 539115870 /nfs/dbraw/zinc/11/58/70/539115870.db2.gz XYYVFGGPYSHPMG-JTQLQIEISA-N 0 0 277.299 1.464 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)N1CC[C@H](C)[C@@H]1C ZINC000160909461 362203751 /nfs/dbraw/zinc/20/37/51/362203751.db2.gz PGKQEWYLADBOLS-IUCAKERBSA-N 0 0 279.340 1.741 10 70 CDIERN COc1ccc(C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)cn1 ZINC000160348186 362415669 /nfs/dbraw/zinc/41/56/69/362415669.db2.gz MSVXJXYOEDLVFL-CJNGLKHVSA-N 0 0 290.363 1.857 10 70 CDIERN C[C@H](C[S@@](=O)c1ccccc1)CS(C)(=O)=O ZINC000161032829 362501520 /nfs/dbraw/zinc/50/15/20/362501520.db2.gz HGLYNQJJSQZBSE-BMIGLBTASA-N 0 0 260.380 1.475 10 70 CDIERN COC(=O)[C@H]1CCCN(C(=O)NCCCC2CC2)C1 ZINC000160401366 346061039 /nfs/dbraw/zinc/06/10/39/346061039.db2.gz IWSTXWBKTJTBJJ-LBPRGKRZSA-N 0 0 268.357 1.771 10 70 CDIERN CC(C)[C@@H](O)CC(=O)Nc1cnn(CC(F)(F)F)c1 ZINC000160414052 188470639 /nfs/dbraw/zinc/47/06/39/188470639.db2.gz HPUCWGPSDCFQAZ-VIFPVBQESA-N 0 0 279.262 1.791 10 70 CDIERN Cc1conc1NC(=O)C(=O)N1CCC[C@H](C)CC1 ZINC000160835846 188493222 /nfs/dbraw/zinc/49/32/22/188493222.db2.gz QIKZSBUBJAJNTH-VIFPVBQESA-N 0 0 265.313 1.570 10 70 CDIERN CCCNC(=O)CNC(=O)[C@@H](C)COc1ccccc1 ZINC000159479519 358616356 /nfs/dbraw/zinc/61/63/56/358616356.db2.gz OOGGZNGKFSVRKC-LBPRGKRZSA-N 0 0 278.352 1.344 10 70 CDIERN CC[C@H](C(N)=O)N1CCN([C@H](C)c2cccc(F)c2)CC1 ZINC000159488642 358641037 /nfs/dbraw/zinc/64/10/37/358641037.db2.gz SWYJASVVZZBJBH-IUODEOHRSA-N 0 0 293.386 1.768 10 70 CDIERN Cc1noc(CCC(=O)NCc2nc3c(cccc3C)[nH]2)n1 ZINC000160356466 363833300 /nfs/dbraw/zinc/83/33/00/363833300.db2.gz UOLOGJYJZOHWQK-UHFFFAOYSA-N 0 0 299.334 1.812 10 70 CDIERN O=C(COc1cccc(C(F)(F)F)c1)NC1(CO)CC1 ZINC000160343686 363819397 /nfs/dbraw/zinc/81/93/97/363819397.db2.gz OQAHHJYYPTVWNK-UHFFFAOYSA-N 0 0 289.253 1.725 10 70 CDIERN COc1cc(C)c(C(=O)NC2(CO)CC2)cc1OC ZINC000160422591 363857783 /nfs/dbraw/zinc/85/77/83/363857783.db2.gz 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/nfs/dbraw/zinc/54/43/46/362544346.db2.gz SPCDNCMZCAMYJY-QGHHPUGFSA-N 0 0 290.406 1.484 10 70 CDIERN O=C(c1cc[nH]c(=O)c1)N1CCO[C@H](c2cccs2)C1 ZINC000161347726 237202518 /nfs/dbraw/zinc/20/25/18/237202518.db2.gz HUUQPCHSAZJFNB-NSHDSACASA-N 0 0 290.344 1.650 10 70 CDIERN CC1(C)CN(C(=O)CCc2ccoc2)CCS1(=O)=O ZINC000160139564 363686608 /nfs/dbraw/zinc/68/66/08/363686608.db2.gz LZLFCJNGUONBMH-UHFFFAOYSA-N 0 0 285.365 1.248 10 70 CDIERN CC(C)C[C@@H](C)NC(=O)N[C@H]1CCCn2ncnc21 ZINC000159535046 361732155 /nfs/dbraw/zinc/73/21/55/361732155.db2.gz FKELECJFEBPIIU-MNOVXSKESA-N 0 0 265.361 1.847 10 70 CDIERN Cc1cccc2[nH]c(CNC(=O)[C@@H]3CCCOC3)nc21 ZINC000160438798 363863824 /nfs/dbraw/zinc/86/38/24/363863824.db2.gz WIXNXVRSADBLFO-LLVKDONJSA-N 0 0 273.336 1.914 10 70 CDIERN CC[C@@H](C)OCC(=O)N(C)[C@H](C)C(=O)OC(C)(C)C ZINC000160461224 363880766 /nfs/dbraw/zinc/88/07/66/363880766.db2.gz GJRWXPPDNWJLHQ-GHMZBOCLSA-N 0 0 273.373 1.990 10 70 CDIERN Cc1ccc2cc(C(=O)NC3(CO)CC3)ccc2n1 ZINC000160473537 363901173 /nfs/dbraw/zinc/90/11/73/363901173.db2.gz BSYUUAMHENQSKL-UHFFFAOYSA-N 0 0 256.305 1.798 10 70 CDIERN Cc1cnc(CN2CCOC[C@H]2C[C@H](O)c2ccco2)o1 ZINC000159626758 364242884 /nfs/dbraw/zinc/24/28/84/364242884.db2.gz WZXRHJZRMKDMCT-OLZOCXBDSA-N 0 0 292.335 1.901 10 70 CDIERN COC(=O)[C@H]1C[C@@H]1C(=O)Nc1n[nH]c(-c2ccc(C)o2)n1 ZINC000160298080 364330460 /nfs/dbraw/zinc/33/04/60/364330460.db2.gz DMLRMCODLMJZLG-YUMQZZPRSA-N 0 0 290.279 1.121 10 70 CDIERN Cc1ccc([C@H](C)NC(=O)C(=O)Nc2nocc2C)o1 ZINC000160057606 364299970 /nfs/dbraw/zinc/29/99/70/364299970.db2.gz MEQYNORWAHDJGY-VIFPVBQESA-N 0 0 277.280 1.700 10 70 CDIERN CC1(C)CN(C(=O)/C=C/c2ccco2)CCS1(=O)=O ZINC000160063443 364300759 /nfs/dbraw/zinc/30/07/59/364300759.db2.gz QAUPJIBDLLTLOO-AATRIKPKSA-N 0 0 283.349 1.328 10 70 CDIERN CCSCC[NH+]1CCN(c2cccnn2)CC1 ZINC000160168200 364314589 /nfs/dbraw/zinc/31/45/89/364314589.db2.gz ZQJRBBPMSLTXKR-UHFFFAOYSA-N 0 0 252.387 1.352 10 70 CDIERN Cc1cc(C(=O)NC[C@@H](C)CCO)nn1-c1ccccc1 ZINC000160974041 364434740 /nfs/dbraw/zinc/43/47/40/364434740.db2.gz KVFOTCNMDOBDJD-LBPRGKRZSA-N 0 0 287.363 1.929 10 70 CDIERN CNC(=O)[C@H]1CCCN1C(=O)c1cnc(C(C)C)s1 ZINC000161248225 364468603 /nfs/dbraw/zinc/46/86/03/364468603.db2.gz FCQWTHJIGASKLD-SECBINFHSA-N 0 0 281.381 1.617 10 70 CDIERN O=C(CNC(=O)c1cccnc1)N1CCC[C@H]2CCC[C@H]21 ZINC000161329681 364479108 /nfs/dbraw/zinc/47/91/08/364479108.db2.gz VHNYLGUUYCMDPN-TZMCWYRMSA-N 0 0 287.363 1.603 10 70 CDIERN CC(C)N(C[C@@H](C)O)C(=O)NCc1cccnc1N(C)C ZINC000160250705 377041892 /nfs/dbraw/zinc/04/18/92/377041892.db2.gz BZALJBVZGOXPIV-GFCCVEGCSA-N 0 0 294.399 1.448 10 70 CDIERN CCC[C@@H]1CN(C(=O)NCc2cscn2)CCO1 ZINC000160813194 377119943 /nfs/dbraw/zinc/11/99/43/377119943.db2.gz CCFPDMJNVCOXCE-LLVKDONJSA-N 0 0 269.370 1.854 10 70 CDIERN CCc1ncnc(NCCc2nc(C)no2)c1F ZINC000217998205 130765503 /nfs/dbraw/zinc/76/55/03/130765503.db2.gz NQIGMLIYUYZTAK-UHFFFAOYSA-N 0 0 251.265 1.524 10 70 CDIERN COCCN(CCOC)C(=O)N1CCCCCC1 ZINC000160389743 292482796 /nfs/dbraw/zinc/48/27/96/292482796.db2.gz ANQRHSUMAXNFQC-UHFFFAOYSA-N 0 0 258.362 1.577 10 70 CDIERN CCCOC(=O)[C@H](C)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160806571 276018751 /nfs/dbraw/zinc/01/87/51/276018751.db2.gz BJDNTMXADLLGEU-GZBFAFLISA-N 0 0 269.385 1.955 10 70 CDIERN Cc1cnn(-c2ccc(C(=O)NC3(CO)CC3)cc2)c1 ZINC000160210529 292780626 /nfs/dbraw/zinc/78/06/26/292780626.db2.gz ZGISFCSGKRBSIA-UHFFFAOYSA-N 0 0 271.320 1.435 10 70 CDIERN COc1ccc(C[C@@H](C)C(=O)NC2(CO)CC2)cc1 ZINC000160226301 292780692 /nfs/dbraw/zinc/78/06/92/292780692.db2.gz MWYKXKQANBUXHW-LLVKDONJSA-N 0 0 263.337 1.515 10 70 CDIERN CC(C)n1ccnc1CN1CCC(C(=O)N(C)C)CC1 ZINC000160696683 520026163 /nfs/dbraw/zinc/02/61/63/520026163.db2.gz FJKQWYHHQFQSCG-UHFFFAOYSA-N 0 0 278.400 1.764 10 70 CDIERN CCC[C@H](NC(=O)[C@H](C)COC)C(=O)OC(C)(C)C ZINC000161430693 521140734 /nfs/dbraw/zinc/14/07/34/521140734.db2.gz GJPUTNSXONZYQZ-MNOVXSKESA-N 0 0 273.373 1.896 10 70 CDIERN C[C@H](NC(=O)[C@H]1CCC(=O)N1)c1ccccc1-n1cccn1 ZINC000159562092 525171577 /nfs/dbraw/zinc/17/15/77/525171577.db2.gz GZTSBWYRXYFGFD-WCQYABFASA-N 0 0 298.346 1.328 10 70 CDIERN Cn1ccnc1COc1cc(Cl)ccc1C(N)=O ZINC000161040511 527437651 /nfs/dbraw/zinc/43/76/51/527437651.db2.gz SZSVFMSGMGYAKI-UHFFFAOYSA-N 0 0 265.700 1.751 10 70 CDIERN O=C(NCCCO)NCc1cccc(-c2ccccn2)c1 ZINC000160389600 527678870 /nfs/dbraw/zinc/67/88/70/527678870.db2.gz XGQQEYFZFHDAGY-UHFFFAOYSA-N 0 0 285.347 1.930 10 70 CDIERN CC1(CNC(=O)N2CCC[C@H]2C(=O)NC2CC2)CCC1 ZINC000159582107 361736979 /nfs/dbraw/zinc/73/69/79/361736979.db2.gz SZGWSALTJYIXQE-LBPRGKRZSA-N 0 0 279.384 1.629 10 70 CDIERN CC1(C)C[C@H]1C(=O)N1CCC(N2CCNC2=O)CC1 ZINC000159723057 361810793 /nfs/dbraw/zinc/81/07/93/361810793.db2.gz LBXLQBVQWRJFRJ-NSHDSACASA-N 0 0 265.357 1.049 10 70 CDIERN Cc1cccc(CNC(=O)c2cccc3[nH]c(=O)oc32)n1 ZINC000159556316 539114386 /nfs/dbraw/zinc/11/43/86/539114386.db2.gz REZXHEMXCRDGEO-UHFFFAOYSA-N 0 0 283.287 1.755 10 70 CDIERN COC(=O)c1ccc(F)c(NC(=O)NC2(CO)CC2)c1 ZINC000160764563 362166362 /nfs/dbraw/zinc/16/63/62/362166362.db2.gz QSCYDQZQGNMBKP-UHFFFAOYSA-N 0 0 282.271 1.259 10 70 CDIERN C[C@H](C[S@@](=O)c1ccccc1F)CS(C)(=O)=O ZINC000161044644 362520864 /nfs/dbraw/zinc/52/08/64/362520864.db2.gz RHSCVKLGONEPBB-ABKXIKBNSA-N 0 0 278.370 1.614 10 70 CDIERN COC(=O)[C@@H]1CN(C(=O)Nc2ccccc2)C[C@@H](C)O1 ZINC000160201502 345637290 /nfs/dbraw/zinc/63/72/90/345637290.db2.gz WZOKOFNFHYUMGP-PWSUYJOCSA-N 0 0 278.308 1.481 10 70 CDIERN CCc1c(C(=O)N2C[C@H](C)OC[C@H]2C)[nH]c(C)c1C(N)=O ZINC000161132531 362691853 /nfs/dbraw/zinc/69/18/53/362691853.db2.gz JLTIXYCFLIGREM-BDAKNGLRSA-N 0 0 293.367 1.234 10 70 CDIERN C[C@@H]1CC[C@@H](C)N1C(=O)c1cnc2c(c1)ncn2C ZINC000160796561 346604720 /nfs/dbraw/zinc/60/47/20/346604720.db2.gz WGPTXGCFECIXSU-NXEZZACHSA-N 0 0 258.325 1.981 10 70 CDIERN COc1cc(C)ccc1OCC(=O)N1CCC(C)(O)CC1 ZINC000161262400 362924111 /nfs/dbraw/zinc/92/41/11/362924111.db2.gz YBRVBMWIVAYOED-UHFFFAOYSA-N 0 0 293.363 1.756 10 70 CDIERN O[C@H](C[C@H]1COCCN1Cc1ncc[nH]1)c1ccco1 ZINC000159457382 188426265 /nfs/dbraw/zinc/42/62/65/188426265.db2.gz XFFORNKICJTUHU-NWDGAFQWSA-N 0 0 277.324 1.327 10 70 CDIERN CCc1ccccc1NC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000161182426 188513748 /nfs/dbraw/zinc/51/37/48/188513748.db2.gz SOUAVYSSWMKPQU-GFCCVEGCSA-N 0 0 285.351 1.977 10 70 CDIERN CNc1ncc(C(=O)N2CC[C@@H]3OCCC[C@@H]3C2)s1 ZINC000159710945 283701329 /nfs/dbraw/zinc/70/13/29/283701329.db2.gz VHTCMQCAYNYZSS-ZJUUUORDSA-N 0 0 281.381 1.826 10 70 CDIERN C[C@@H](NC(=O)c1ccc2nccnc2c1)[C@H](C)CO ZINC000160388172 361661313 /nfs/dbraw/zinc/66/13/13/361661313.db2.gz CDJGETVCDWQGSD-NXEZZACHSA-N 0 0 259.309 1.377 10 70 CDIERN COCCOc1ncccc1NC(=O)Nc1ccn(C)n1 ZINC000159429666 361695752 /nfs/dbraw/zinc/69/57/52/361695752.db2.gz PIYRNOSUNUBRDI-UHFFFAOYSA-N 0 0 291.311 1.484 10 70 CDIERN O=C(COc1ccc2ccccc2c1)NC1(CO)CC1 ZINC000160290053 363809120 /nfs/dbraw/zinc/80/91/20/363809120.db2.gz XCXWVEGPUDDMQN-UHFFFAOYSA-N 0 0 271.316 1.860 10 70 CDIERN COc1cccc([C@H]2C[C@@H]2C(=O)N(C)[C@@H](C)CO)c1 ZINC000160529772 363968710 /nfs/dbraw/zinc/96/87/10/363968710.db2.gz YTGSTAVIPQLUAU-GDLCADMTSA-N 0 0 263.337 1.638 10 70 CDIERN Cc1cccc(NC(=O)CS(=O)(=O)C2CCOCC2)c1 ZINC000160042471 364298554 /nfs/dbraw/zinc/29/85/54/364298554.db2.gz UYMCMULBNZEPIS-UHFFFAOYSA-N 0 0 297.376 1.527 10 70 CDIERN C[C@@H](O)CCNC(=O)N[C@H]1CCO[C@H](c2ccccc2)C1 ZINC000160727832 364401945 /nfs/dbraw/zinc/40/19/45/364401945.db2.gz RDKTZMROJNZTQM-SNPRPXQTSA-N 0 0 292.379 1.977 10 70 CDIERN CCc1cc(C(=O)N[C@@H](C)Cc2cc(C)n[nH]2)[nH]n1 ZINC000161136406 364453197 /nfs/dbraw/zinc/45/31/97/364453197.db2.gz KLEQKRXQIFLPPV-QMMMGPOBSA-N 0 0 261.329 1.365 10 70 CDIERN Cc1cccc(C)c1NC(=O)C(=O)N(C)C[C@@H]1CCCO1 ZINC000160873369 364422174 /nfs/dbraw/zinc/42/21/74/364422174.db2.gz OOXJYPFRPSBLNY-ZDUSSCGKSA-N 0 0 290.363 1.879 10 70 CDIERN C[C@@H](CC(=O)N(C)CCN1CCOCC1)C(F)(F)F ZINC000218236660 364995709 /nfs/dbraw/zinc/99/57/09/364995709.db2.gz IMMPUZIMGWHUFY-JTQLQIEISA-N 0 0 282.306 1.366 10 70 CDIERN CC[C@H](N[C@H](C)C(=O)NC(=O)NC(C)C)c1nccs1 ZINC000161060723 377128876 /nfs/dbraw/zinc/12/88/76/377128876.db2.gz ZTWYWFAQJZACKE-ZJUUUORDSA-N 0 0 298.412 1.807 10 70 CDIERN CC(C)n1ccnc1CS(=O)(=O)C[C@@H]1CCCO1 ZINC000161216636 377198431 /nfs/dbraw/zinc/19/84/31/377198431.db2.gz JSVZCDGCFDYGBA-NSHDSACASA-N 0 0 272.370 1.558 10 70 CDIERN O=C(Cc1ccon1)N[C@H]1CCN(c2ccccn2)C1 ZINC000161396132 377618166 /nfs/dbraw/zinc/61/81/66/377618166.db2.gz NYUKKIXMECCQBY-LBPRGKRZSA-N 0 0 272.308 1.007 10 70 CDIERN CCOCC(=O)NCc1ccccc1-n1ccc(C)n1 ZINC000161408471 377618380 /nfs/dbraw/zinc/61/83/80/377618380.db2.gz VKCXQSFNDRUFMT-UHFFFAOYSA-N 0 0 273.336 1.833 10 70 CDIERN CC(C)c1cc(=O)n(CC(=O)NC(C)(C)C)cn1 ZINC000160860539 391527710 /nfs/dbraw/zinc/52/77/10/391527710.db2.gz IJQOUMUNBCNIRX-UHFFFAOYSA-N 0 0 251.330 1.281 10 70 CDIERN CCN(CCO)C(=O)CCc1cc2ccccc2[nH]c1=O ZINC000159818568 292770850 /nfs/dbraw/zinc/77/08/50/292770850.db2.gz LVVWBJBITMFNCY-UHFFFAOYSA-N 0 0 288.347 1.302 10 70 CDIERN Cn1ncc2c1ncnc2N[C@H]1CCCCC[C@H]1C(N)=O ZINC000160728209 292793645 /nfs/dbraw/zinc/79/36/45/292793645.db2.gz CCAMYFSKZJJXAG-KOLCDFICSA-N 0 0 288.355 1.209 10 70 CDIERN CCC[C@H](NC(=O)[C@@H]1CC(=O)N(C)C1)C(=O)OC(C)(C)C ZINC000161393493 521137200 /nfs/dbraw/zinc/13/72/00/521137200.db2.gz UIUQLVIYIJEMED-MNOVXSKESA-N 0 0 298.383 1.091 10 70 CDIERN CS[C@H](C)CC(=O)N1C[C@H](C(N)=O)CC[C@H]1C ZINC000160105639 534028894 /nfs/dbraw/zinc/02/88/94/534028894.db2.gz YUQIASOJLUVSQH-OPRDCNLKSA-N 0 0 258.387 1.240 10 70 CDIERN CC(C)(CNC(=O)[C@H]1C[C@H]1c1cc(F)ccc1F)C(N)=O ZINC000160882990 519260587 /nfs/dbraw/zinc/26/05/87/519260587.db2.gz LYQGLPBMAMBGCC-ONGXEEELSA-N 0 0 296.317 1.696 10 70 CDIERN Cc1nc(NC(=O)c2ccc(C(N)=O)cn2)cc(C2CC2)n1 ZINC000160130713 534483200 /nfs/dbraw/zinc/48/32/00/534483200.db2.gz UNLCWJPXAQGVGZ-UHFFFAOYSA-N 0 0 297.318 1.409 10 70 CDIERN Cc1[nH]c(=O)ccc1C(=O)N1CCN(CC(F)F)CC1 ZINC000161030067 534504215 /nfs/dbraw/zinc/50/42/15/534504215.db2.gz WALNGXZRVKGXGB-UHFFFAOYSA-N 0 0 285.294 1.119 10 70 CDIERN CCN(CCCO)C(=O)[C@@H](C)NC(=O)c1ccccc1 ZINC000160457105 521032122 /nfs/dbraw/zinc/03/21/22/521032122.db2.gz BTKDMKJESHFIQN-GFCCVEGCSA-N 0 0 278.352 1.036 10 70 CDIERN Cn1cc(CN2CCO[C@@H](c3nccs3)C2)cn1 ZINC000161448622 527205697 /nfs/dbraw/zinc/20/56/97/527205697.db2.gz OZTZCQXONSGBBA-LLVKDONJSA-N 0 0 264.354 1.450 10 70 CDIERN CCCCN(C)C(=O)c1[nH]c(C)c(C(N)=O)c1CC ZINC000160592769 528333721 /nfs/dbraw/zinc/33/37/21/528333721.db2.gz SVGMRXPCEUDEKI-UHFFFAOYSA-N 0 0 265.357 1.857 10 70 CDIERN Cn1cnnc1CNC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000160131235 362035460 /nfs/dbraw/zinc/03/54/60/362035460.db2.gz DBRNRSABVHFDRF-MWLCHTKSSA-N 0 0 292.289 1.513 10 70 CDIERN CCOC(=O)C[C@H](C)NC(=O)c1ncccc1OC(C)C ZINC000160236390 362074082 /nfs/dbraw/zinc/07/40/82/362074082.db2.gz LYKAFOWHCZJNIQ-NSHDSACASA-N 0 0 294.351 1.940 10 70 CDIERN O=S1(=O)N=C(NCC2(CO)CCCC2)c2ccccc21 ZINC000160193392 362404363 /nfs/dbraw/zinc/40/43/63/362404363.db2.gz ZKEULEQIRDHDBO-UHFFFAOYSA-N 0 0 294.376 1.278 10 70 CDIERN CCn1cc(C(=O)C(=O)NCc2cnc(C)s2)cn1 ZINC000159591020 363025033 /nfs/dbraw/zinc/02/50/33/363025033.db2.gz PQZVEPRJSFADCO-UHFFFAOYSA-N 0 0 278.337 1.167 10 70 CDIERN Cc1nc(Cn2cnn(C(C)(C)C)c2=O)oc1C ZINC000159596678 363041017 /nfs/dbraw/zinc/04/10/17/363041017.db2.gz UKJZVGWCLCTMFC-UHFFFAOYSA-N 0 0 250.302 1.453 10 70 CDIERN C[C@H](CO)N(C)C(=O)c1cccc(OCC(F)(F)F)n1 ZINC000160591656 188481930 /nfs/dbraw/zinc/48/19/30/188481930.db2.gz ZBFZAZWFILOIFX-MRVPVSSYSA-N 0 0 292.257 1.476 10 70 CDIERN COC[C@@H](C)C(=O)N[C@H]1CCN(c2ccccc2OC)C1 ZINC000161026158 188503842 /nfs/dbraw/zinc/50/38/42/188503842.db2.gz IWWVNJFBTIJOMH-OLZOCXBDSA-N 0 0 292.379 1.673 10 70 CDIERN COC[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159874389 363398047 /nfs/dbraw/zinc/39/80/47/363398047.db2.gz AFPAREKAABCOIF-NEPJUHHUSA-N 0 0 260.341 1.953 10 70 CDIERN COC[C@H](C)[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159874256 363398205 /nfs/dbraw/zinc/39/82/05/363398205.db2.gz AFPAREKAABCOIF-RYUDHWBXSA-N 0 0 260.341 1.953 10 70 CDIERN C[C@@H]1CN(C(=O)N2C[C@@H](C)O[C@@H](C)C2)C[C@@H](C)O1 ZINC000216807311 538441610 /nfs/dbraw/zinc/44/16/10/538441610.db2.gz VFTAFAVSVYABEJ-KKOKHZNYSA-N 0 0 256.346 1.325 10 70 CDIERN C[C@H](CC1CC1)NC(=O)N1CCC([C@H](C)O)CC1 ZINC000159843571 237159036 /nfs/dbraw/zinc/15/90/36/237159036.db2.gz PSDPXLGSIDODQS-MNOVXSKESA-N 0 0 254.374 1.977 10 70 CDIERN Cc1nc(NC(=O)Cn2cccn2)cc(C2CC2)n1 ZINC000160162335 237170082 /nfs/dbraw/zinc/17/00/82/237170082.db2.gz PGTJIBFXHVMWLS-UHFFFAOYSA-N 0 0 257.297 1.498 10 70 CDIERN CC[C@@H](NC(=O)C[C@@H]1NC(=O)NC1=O)c1ccc(C)cc1 ZINC000160193698 363735465 /nfs/dbraw/zinc/73/54/65/363735465.db2.gz VKFACFYRMVKASO-NEPJUHHUSA-N 0 0 289.335 1.160 10 70 CDIERN COC(=O)CCCNC(=O)[C@H]1CCC(=O)C[C@H]1C ZINC000160335537 363822025 /nfs/dbraw/zinc/82/20/25/363822025.db2.gz QXVZZFPMVMTSHQ-KOLCDFICSA-N 0 0 255.314 1.061 10 70 CDIERN CCOC(=O)CCCNC(=O)N(C[C@H](C)O)C(C)C ZINC000160533845 363979138 /nfs/dbraw/zinc/97/91/38/363979138.db2.gz XYUKUYUZBSNTAB-NSHDSACASA-N 0 0 274.361 1.131 10 70 CDIERN COC(=O)C[C@H](C)C(=O)Nc1nc2c(s1)C(=O)CCC2 ZINC000160348979 364337845 /nfs/dbraw/zinc/33/78/45/364337845.db2.gz LINDIOZZPXQHNG-ZETCQYMHSA-N 0 0 296.348 1.800 10 70 CDIERN CCc1ncsc1C(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000160724262 364401173 /nfs/dbraw/zinc/40/11/73/364401173.db2.gz AJVDHUDTRDWSPC-ONGXEEELSA-N 0 0 268.382 1.986 10 70 CDIERN C[C@H]1C[C@@H]1NC(=O)NCc1cn(C)nc1C(F)(F)F ZINC000160900330 364424395 /nfs/dbraw/zinc/42/43/95/364424395.db2.gz YXIFMDXFGKNKKT-XPUUQOCRSA-N 0 0 276.262 1.647 10 70 CDIERN Cc1cc(C[C@@H](C)NC(=O)c2ccnn2C(C)C)[nH]n1 ZINC000161293841 364476236 /nfs/dbraw/zinc/47/62/36/364476236.db2.gz FPNCYXFZYFPSGE-SNVBAGLBSA-N 0 0 275.356 1.857 10 70 CDIERN CCC[C@@H](C(=O)Nc1ccc(OCC(N)=O)cc1)[NH+](C)C ZINC000161458653 364497032 /nfs/dbraw/zinc/49/70/32/364497032.db2.gz DZFQXLKTJUTQFZ-ZDUSSCGKSA-N 0 0 293.367 1.220 10 70 CDIERN O=C1N[C@]2(CCSC2)C(=O)N1Cc1nccs1 ZINC000161178383 367484965 /nfs/dbraw/zinc/48/49/65/367484965.db2.gz XPZOQAIGKNJONM-JTQLQIEISA-N 0 0 269.351 1.071 10 70 CDIERN COCCCCNC(=O)c1cc(S(C)(=O)=O)cs1 ZINC000160624728 261220536 /nfs/dbraw/zinc/22/05/36/261220536.db2.gz SNFWMQJLSILZEJ-UHFFFAOYSA-N 0 0 291.394 1.308 10 70 CDIERN CC(C)OCCNC(=O)[C@@H]1CCCN1c1nccs1 ZINC000159804750 139905356 /nfs/dbraw/zinc/90/53/56/139905356.db2.gz IHVDXTZKGQJJHH-NSHDSACASA-N 0 0 283.397 1.653 10 70 CDIERN CC(C)=C(F)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O ZINC000159998687 277321281 /nfs/dbraw/zinc/32/12/81/277321281.db2.gz AOCKYTCALFGKCP-LBPRGKRZSA-N 0 0 276.311 1.689 10 70 CDIERN CC(C)N(C[C@@H](C)O)C(=O)NCCCOCC1CC1 ZINC000159375344 292757571 /nfs/dbraw/zinc/75/75/71/292757571.db2.gz VHWGLJLQWIGJDO-GFCCVEGCSA-N 0 0 272.389 1.604 10 70 CDIERN C[C@@H](CCOc1ccccc1)C(=O)NC1(CO)CC1 ZINC000160215882 292780589 /nfs/dbraw/zinc/78/05/89/292780589.db2.gz XJIZCURZBSMBTP-LBPRGKRZSA-N 0 0 263.337 1.733 10 70 CDIERN CCc1cccc(CC(=O)NC[C@@]2(O)CCSC2)c1 ZINC000160224277 292780683 /nfs/dbraw/zinc/78/06/83/292780683.db2.gz ZAAVDAAKQXUDAK-HNNXBMFYSA-N 0 0 279.405 1.776 10 70 CDIERN O=C(NC1(CO)CC1)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000160247545 292781944 /nfs/dbraw/zinc/78/19/44/292781944.db2.gz UJPDNUWKPMNADD-IUCAKERBSA-N 0 0 267.275 1.709 10 70 CDIERN Cc1cc(C(=O)NC2(CO)CC2)c(C)n1Cc1ccccn1 ZINC000160330859 292784451 /nfs/dbraw/zinc/78/44/51/292784451.db2.gz FIMYANRRROPCLM-UHFFFAOYSA-N 0 0 299.374 1.803 10 70 CDIERN C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)Cn1cccn1 ZINC000160496840 292788531 /nfs/dbraw/zinc/78/85/31/292788531.db2.gz NYUGRAWURRJKIG-LBPRGKRZSA-N 0 0 273.336 1.678 10 70 CDIERN CC(C)[C@@H](CCO)NC(=O)c1cccc(-n2cncn2)c1 ZINC000160797375 292794896 /nfs/dbraw/zinc/79/48/96/292794896.db2.gz INYUGPRMYLXDJX-CQSZACIVSA-N 0 0 288.351 1.404 10 70 CDIERN CCCC[C@@H](NC(=O)[C@H]1CNC(=O)C1)C(=O)OC(C)(C)C ZINC000161226254 521087204 /nfs/dbraw/zinc/08/72/04/521087204.db2.gz REFVTWIKIAWIGM-GHMZBOCLSA-N 0 0 298.383 1.139 10 70 CDIERN Cc1ccn(C)c(=O)c1NC(=O)[C@@]1(C)CCCO1 ZINC000161355956 534853670 /nfs/dbraw/zinc/85/36/70/534853670.db2.gz QGTZAQXATJTODI-CYBMUJFWSA-N 0 0 250.298 1.201 10 70 CDIERN CCOCCOCC(=O)N(C)[C@H](C)Cc1ccc(O)cc1 ZINC000160493416 539115936 /nfs/dbraw/zinc/11/59/36/539115936.db2.gz NLNQZJSHAQPNQS-CYBMUJFWSA-N 0 0 295.379 1.835 10 70 CDIERN Cc1cccc2[nH]c(CNC(=O)c3ccnc(C)n3)nc21 ZINC000160534492 539116018 /nfs/dbraw/zinc/11/60/18/539116018.db2.gz BVIIHYOXZKYECE-UHFFFAOYSA-N 0 0 281.319 1.900 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)NC1CC=CC1 ZINC000161057968 539117155 /nfs/dbraw/zinc/11/71/55/539117155.db2.gz YUYWFYCKRZAHSX-UHFFFAOYSA-N 0 0 263.297 1.319 10 70 CDIERN CC(=O)Nc1cc(NC(=O)NC2(CO)CC2)ccc1C ZINC000160870591 362191074 /nfs/dbraw/zinc/19/10/74/362191074.db2.gz YLHOVQOUVDPLQH-UHFFFAOYSA-N 0 0 277.324 1.600 10 70 CDIERN C[C@@H]1CN(CC(=O)Nc2ccccc2F)CC[C@@H]1O ZINC000159436674 362322407 /nfs/dbraw/zinc/32/24/07/362322407.db2.gz BRLHMQQFHASETG-MFKMUULPSA-N 0 0 266.316 1.467 10 70 CDIERN CCc1cc(C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)n(C)n1 ZINC000160431766 362424502 /nfs/dbraw/zinc/42/45/02/362424502.db2.gz TUHBFPRCMVCMGS-BLLLJJGKSA-N 0 0 291.395 1.750 10 70 CDIERN C[C@H](CO)[C@H](C)NC(=O)CCc1nc2ccccc2[nH]1 ZINC000160347238 362415626 /nfs/dbraw/zinc/41/56/26/362415626.db2.gz JHZGXQNLWDVDIN-MNOVXSKESA-N 0 0 275.352 1.629 10 70 CDIERN CC[C@H](NS(=O)(=O)N(C)CCOC)c1nccs1 ZINC000159970326 345317441 /nfs/dbraw/zinc/31/74/41/345317441.db2.gz ZOESISZYEZFGQQ-VIFPVBQESA-N 0 0 293.414 1.007 10 70 CDIERN Cc1cccc(C(=O)NCCCN2CCCC2=O)c1F ZINC000161388151 362947407 /nfs/dbraw/zinc/94/74/07/362947407.db2.gz PPIURLCWJBJGMZ-UHFFFAOYSA-N 0 0 278.327 1.876 10 70 CDIERN Cc1nc2cc(NC(=O)N3CCNC(=O)[C@H]3C)ccc2o1 ZINC000159485542 188428323 /nfs/dbraw/zinc/42/83/23/188428323.db2.gz HFVVMLPKHRFBIJ-MRVPVSSYSA-N 0 0 288.307 1.488 10 70 CDIERN CN(C(=O)c1ncn(-c2ccccc2)n1)[C@@H]1CCOC1 ZINC000160174471 188458840 /nfs/dbraw/zinc/45/88/40/188458840.db2.gz QAMUYRNOVXHANN-GFCCVEGCSA-N 0 0 272.308 1.128 10 70 CDIERN CC[C@H](C)[C@H](O)CNC(=O)[C@@H](C)Oc1cccc(CO)c1 ZINC000160037379 363600289 /nfs/dbraw/zinc/60/02/89/363600289.db2.gz GHWAMYNSROOCPU-YWPYICTPSA-N 0 0 295.379 1.469 10 70 CDIERN O=C(NC1(CO)CC1)c1cnn(-c2ccccc2)c1 ZINC000159845368 237157460 /nfs/dbraw/zinc/15/74/60/237157460.db2.gz UJUGABGRLHLZBX-UHFFFAOYSA-N 0 0 257.293 1.127 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000160130929 237167893 /nfs/dbraw/zinc/16/78/93/237167893.db2.gz UKCDVSWBUMCHGX-IUCAKERBSA-N 0 0 295.339 1.120 10 70 CDIERN C[C@H]1OCCN(C(=O)c2cnc3c(c2)ncn3C)[C@@H]1C ZINC000160859731 291204199 /nfs/dbraw/zinc/20/41/99/291204199.db2.gz NTMQHPWGNTZAQT-NXEZZACHSA-N 0 0 274.324 1.218 10 70 CDIERN Cc1ccc(NC(=O)C(=O)NC(C)(C)[C@H](C)O)cc1 ZINC000161101753 360909789 /nfs/dbraw/zinc/90/97/89/360909789.db2.gz UIJIRMDJXPWBQC-JTQLQIEISA-N 0 0 264.325 1.209 10 70 CDIERN CNc1ccc(C(=O)N2C[C@@H](C)N(C)[C@H](C)C2)cn1 ZINC000160167992 360913304 /nfs/dbraw/zinc/91/33/04/360913304.db2.gz HGQLUOIPONWUKN-GHMZBOCLSA-N 0 0 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ZINC000160431649 362424182 /nfs/dbraw/zinc/42/41/82/362424182.db2.gz TUHBFPRCMVCMGS-WBMJQRKESA-N 0 0 291.395 1.750 10 70 CDIERN COC(=O)[C@@H]1CN(C(=O)NC2CCCCC2)C[C@@H](C)O1 ZINC000160202834 345639004 /nfs/dbraw/zinc/63/90/04/345639004.db2.gz JPSSLJFPNWYFPF-PWSUYJOCSA-N 0 0 284.356 1.291 10 70 CDIERN CCC[C@H](C(=O)NCC1(CCOC)CC1)[NH+](C)C ZINC000159744120 363270138 /nfs/dbraw/zinc/27/01/38/363270138.db2.gz SDCWRUZRASVSKC-GFCCVEGCSA-N 0 0 256.390 1.650 10 70 CDIERN C[C@@H](NC(=O)NC[C@H](C)CN1CCOCC1)C(C)(C)C ZINC000159794034 363314067 /nfs/dbraw/zinc/31/40/67/363314067.db2.gz HEFPHVIWGZIMGP-QWHCGFSZSA-N 0 0 285.432 1.689 10 70 CDIERN COCCc1cc(NC(=O)C(C)(C)COC)n(C)n1 ZINC000160093457 363658576 /nfs/dbraw/zinc/65/85/76/363658576.db2.gz OTGIZEDQCFLAAM-UHFFFAOYSA-N 0 0 269.345 1.220 10 70 CDIERN CC1(C)CCC[C@H](CC(=O)N[C@H]2CCC(=O)NC2=O)C1 ZINC000160695510 360780676 /nfs/dbraw/zinc/78/06/76/360780676.db2.gz OYQKEXFCJJXQJK-MNOVXSKESA-N 0 0 280.368 1.514 10 70 CDIERN C[C@H](SCc1ccccc1)C(=O)NC1(CO)CC1 ZINC000160331012 363816750 /nfs/dbraw/zinc/81/67/50/363816750.db2.gz DXCHLFNXSIOEST-NSHDSACASA-N 0 0 265.378 1.949 10 70 CDIERN CC1(C)C[C@H]1C(=O)N1CCC[C@H]1C(=O)NCc1ccco1 ZINC000160179959 364316609 /nfs/dbraw/zinc/31/66/09/364316609.db2.gz ZXXCXDOFLJBCIH-STQMWFEESA-N 0 0 290.363 1.933 10 70 CDIERN C[C@H](O)C1CCN(C(=O)[C@@H]2OCCc3ccccc32)CC1 ZINC000160439306 364354627 /nfs/dbraw/zinc/35/46/27/364354627.db2.gz SEHWDHODMCSZKO-BLLLJJGKSA-N 0 0 289.375 1.920 10 70 CDIERN CC1(C)C[C@@H](Nc2nccn(C3CC3)c2=O)CCO1 ZINC000159996559 365523493 /nfs/dbraw/zinc/52/34/93/365523493.db2.gz KFDANPDFFPJHQI-JTQLQIEISA-N 0 0 263.341 1.948 10 70 CDIERN Cn1c(CN2CCCC[C@H]2CO)nnc1-c1ccccc1 ZINC000160778342 374659732 /nfs/dbraw/zinc/65/97/32/374659732.db2.gz MWYDEOSNWAMYMG-AWEZNQCLSA-N 0 0 286.379 1.829 10 70 CDIERN CC(C)C[C@@H]1CCCN(C(=O)[C@@H]2COCCN2)C1 ZINC000161471854 375466992 /nfs/dbraw/zinc/46/69/92/375466992.db2.gz KXLGWTAZJZHCLE-STQMWFEESA-N 0 0 254.374 1.260 10 70 CDIERN O=S(=O)(NCCNc1cccc(F)n1)c1cccnc1 ZINC000161202494 377196282 /nfs/dbraw/zinc/19/62/82/377196282.db2.gz LBSSXNHCTRBTTA-UHFFFAOYSA-N 0 0 296.327 1.006 10 70 CDIERN CO[C@H](C)[C@@H](C)Nc1ccc(S(C)(=O)=O)cc1 ZINC000161146263 377158739 /nfs/dbraw/zinc/15/87/39/377158739.db2.gz TYJORZYUMZQLFC-NXEZZACHSA-N 0 0 257.355 1.925 10 70 CDIERN COCCNC(=O)N[C@H](C)c1ccccc1-n1cccn1 ZINC000160266758 292550222 /nfs/dbraw/zinc/55/02/22/292550222.db2.gz IZXRSSAAZBRSTR-GFCCVEGCSA-N 0 0 288.351 1.879 10 70 CDIERN O=C(Nc1ccccc1OC(F)F)NC1(CO)CC1 ZINC000160038085 292776414 /nfs/dbraw/zinc/77/64/14/292776414.db2.gz LIDMQUCIGDUTHB-UHFFFAOYSA-N 0 0 272.251 1.934 10 70 CDIERN O=C(CC[C@@H]1Cc2ccccc2NC1=O)NC1(CO)CC1 ZINC000160220737 292780582 /nfs/dbraw/zinc/78/05/82/292780582.db2.gz SGBHJCMBZDEVFP-GFCCVEGCSA-N 0 0 288.347 1.219 10 70 CDIERN COc1ccccc1[C@@H](C)CC(=O)NC1(CO)CC1 ZINC000160243756 292781372 /nfs/dbraw/zinc/78/13/72/292781372.db2.gz FDFDDVQHSHVFNB-NSHDSACASA-N 0 0 263.337 1.830 10 70 CDIERN O=C(CCc1cc(F)ccc1F)NC1(CO)CC1 ZINC000160297812 292783151 /nfs/dbraw/zinc/78/31/51/292783151.db2.gz XTGRBOWEXMORME-UHFFFAOYSA-N 0 0 255.264 1.539 10 70 CDIERN O=C(NC1(CO)CC1)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000160352506 292784844 /nfs/dbraw/zinc/78/48/44/292784844.db2.gz MXEGOUIDZHMZRM-UWVGGRQHSA-N 0 0 267.275 1.709 10 70 CDIERN CC(=O)N1CCc2cc(NC(=O)NC3(CO)CC3)ccc21 ZINC000160413172 292786440 /nfs/dbraw/zinc/78/64/40/292786440.db2.gz AWKDACJKNSMPOO-UHFFFAOYSA-N 0 0 289.335 1.242 10 70 CDIERN COc1cccc([S@@](=O)C[C@H](C)CS(C)(=O)=O)c1 ZINC000161060969 292799271 /nfs/dbraw/zinc/79/92/71/292799271.db2.gz LSCXQINVBXOOTH-DYZYQPBXSA-N 0 0 290.406 1.484 10 70 CDIERN CCCS(=O)(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000159395457 520535595 /nfs/dbraw/zinc/53/55/95/520535595.db2.gz DTEIYWHWKBTIOA-JTQLQIEISA-N 0 0 286.401 1.046 10 70 CDIERN CC(C)(C)C[C@H](CO)NC1=NS(=O)(=O)c2ccccc21 ZINC000161462075 518687997 /nfs/dbraw/zinc/68/79/97/518687997.db2.gz ZYPLURHGENXICM-SNVBAGLBSA-N 0 0 296.392 1.522 10 70 CDIERN Cc1nc(NC(=O)CCCS(C)(=O)=O)cc(C2CC2)n1 ZINC000159892631 534461396 /nfs/dbraw/zinc/46/13/96/534461396.db2.gz VJVKBVMMUWOTIR-UHFFFAOYSA-N 0 0 297.380 1.426 10 70 CDIERN CCCN1C(=O)N=NC1S(=O)(=O)Cc1ccccc1F ZINC000160922656 521633256 /nfs/dbraw/zinc/63/32/56/521633256.db2.gz QKMFNULYKAQGQH-UHFFFAOYSA-N 0 0 299.327 1.507 10 70 CDIERN CC[C@H](O)CCNC(=O)CNC(=O)c1ccc(C)c(C)c1 ZINC000160894970 522793526 /nfs/dbraw/zinc/79/35/26/522793526.db2.gz TZYWKFMFHBYUKK-AWEZNQCLSA-N 0 0 292.379 1.310 10 70 CDIERN CSCC[C@H](C)N(C)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000161191652 525561163 /nfs/dbraw/zinc/56/11/63/525561163.db2.gz YUQLDQWEFVAHGI-WDEREUQCSA-N 0 0 297.428 1.376 10 70 CDIERN O=C([C@@H](O)c1ccccc1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000161497805 526453333 /nfs/dbraw/zinc/45/33/33/526453333.db2.gz OOWHRTSQKWPSRB-CVEARBPZSA-N 0 0 298.342 1.795 10 70 CDIERN CC(C)[C@@H](O)CC(=O)Nc1ccc(NC(=O)C2CC2)nc1 ZINC000159554241 528616503 /nfs/dbraw/zinc/61/65/03/528616503.db2.gz YSWHIHVIVSRSNN-LBPRGKRZSA-N 0 0 291.351 1.776 10 70 CDIERN CO[C@@H](C)c1nc(C)c(C(=O)N(C)[C@H](C)CO)s1 ZINC000160391131 536889447 /nfs/dbraw/zinc/88/94/47/536889447.db2.gz HLYIAWRSVZZZEW-APPZFPTMSA-N 0 0 272.370 1.612 10 70 CDIERN CCC[C@@](C)(O)C(=O)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000159592260 361744684 /nfs/dbraw/zinc/74/46/84/361744684.db2.gz DERCWECKMZGKLW-GDBMZVCRSA-N 0 0 293.363 1.843 10 70 CDIERN O=C(NCCc1ccsc1)[C@@H]1CCn2ccnc2C1 ZINC000159636644 361755290 /nfs/dbraw/zinc/75/52/90/361755290.db2.gz WYENSVWUSOBXHS-GFCCVEGCSA-N 0 0 275.377 1.866 10 70 CDIERN CO[C@@H](CNC(=O)c1cnc2c(c1)ncn2C)C(C)(C)C ZINC000159927262 361944764 /nfs/dbraw/zinc/94/47/64/361944764.db2.gz FQSFPWDPFDBICP-LBPRGKRZSA-N 0 0 290.367 1.759 10 70 CDIERN CN(CC(=O)N1CCC(C)(O)CC1)c1ccc(Cl)cn1 ZINC000161294339 539117395 /nfs/dbraw/zinc/11/73/95/539117395.db2.gz WJYJCRMZQSQTJE-UHFFFAOYSA-N 0 0 297.786 1.545 10 70 CDIERN Cn1ncnc1NC(=O)CCc1cc2ccccc2[nH]c1=O ZINC000160215037 362057442 /nfs/dbraw/zinc/05/74/42/362057442.db2.gz LWWZHRHIOSLGAG-UHFFFAOYSA-N 0 0 297.318 1.228 10 70 CDIERN O=C(Nc1ncco1)N[C@H]1c2ccccc2C[C@@H]1O ZINC000159446496 344954273 /nfs/dbraw/zinc/95/42/73/344954273.db2.gz OTGYZNJBNKAYJA-QWRGUYRKSA-N 0 0 259.265 1.454 10 70 CDIERN CCCn1nccc1NC(=O)[C@@H]1CCn2ccnc2C1 ZINC000159799672 362524264 /nfs/dbraw/zinc/52/42/64/362524264.db2.gz AORSFFNNVOQJJF-LLVKDONJSA-N 0 0 273.340 1.691 10 70 CDIERN CO[C@@]1(C)C[C@@H](OC(=O)Cn2c(C)csc2=O)C1(C)C ZINC000159670536 345255028 /nfs/dbraw/zinc/25/50/28/345255028.db2.gz GVBLFBUVPSJEKZ-YGRLFVJLSA-N 0 0 299.392 1.965 10 70 CDIERN Cc1cc(C[C@H](C)NC(=O)c2cccc3c[nH]nc32)[nH]n1 ZINC000161100550 362588886 /nfs/dbraw/zinc/58/88/86/362588886.db2.gz NGQVZSIKOVJTNR-VIFPVBQESA-N 0 0 283.335 1.955 10 70 CDIERN CCN(CCO)C(=O)NCCCc1nc(C(C)C)no1 ZINC000161171109 362709672 /nfs/dbraw/zinc/70/96/72/362709672.db2.gz JYJAYOJAIMVPQF-UHFFFAOYSA-N 0 0 284.360 1.149 10 70 CDIERN C[C@H](CO)[C@H](C)NC(=O)c1ccnc2ccccc21 ZINC000160368328 188468148 /nfs/dbraw/zinc/46/81/48/188468148.db2.gz UFNAZNKHMCILGP-MNOVXSKESA-N 0 0 258.321 1.982 10 70 CDIERN CCc1noc(C)c1NC(=O)C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000160130657 237170639 /nfs/dbraw/zinc/17/06/39/237170639.db2.gz UKCDVSWBUMCHGX-DTORHVGOSA-N 0 0 295.339 1.120 10 70 CDIERN C[C@H]1CC[C@H](C(=O)N(C)c2ccc3c(c2)OCO3)O1 ZINC000160212925 363768269 /nfs/dbraw/zinc/76/82/69/363768269.db2.gz FFLDDALKOJRZDP-JOYOIKCWSA-N 0 0 263.293 1.946 10 70 CDIERN O=C(COCCc1ccccc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159450636 361701466 /nfs/dbraw/zinc/70/14/66/361701466.db2.gz IZIPNEBXIGKQCK-IYBDPMFKSA-N 0 0 288.391 1.599 10 70 CDIERN O=C(NC1(CO)CC1)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000160352751 363831781 /nfs/dbraw/zinc/83/17/81/363831781.db2.gz MXEGOUIDZHMZRM-VHSXEESVSA-N 0 0 267.275 1.709 10 70 CDIERN O=C(N1CC[C@H](N2CCOCC2)C1)N1CCCCCC1 ZINC000160559568 364005321 /nfs/dbraw/zinc/00/53/21/364005321.db2.gz AQHRBCCLCTUKFV-AWEZNQCLSA-N 0 0 281.400 1.389 10 70 CDIERN CCCCOC(=O)[C@@H](C)N1CCN(c2cccnn2)CC1 ZINC000160168758 364313646 /nfs/dbraw/zinc/31/36/46/364313646.db2.gz PDEWZLLNCUISTI-CYBMUJFWSA-N 0 0 292.383 1.330 10 70 CDIERN CC(C)CONC(=O)NCc1cc(=O)[nH]c2ccccc12 ZINC000160944581 364432451 /nfs/dbraw/zinc/43/24/51/364432451.db2.gz OUXHCLMPHZENBR-UHFFFAOYSA-N 0 0 289.335 1.915 10 70 CDIERN O=C(N[C@@H]1CCc2ncnn2C1)N1Cc2ccccc2C1 ZINC000161198221 284120469 /nfs/dbraw/zinc/12/04/69/284120469.db2.gz TVYZENSWKBWTRH-CYBMUJFWSA-N 0 0 283.335 1.318 10 70 CDIERN CCCc1nnc(N2CCS(=O)(=O)[C@H](C)C2)s1 ZINC000160759034 377113536 /nfs/dbraw/zinc/11/35/36/377113536.db2.gz MVKDAFHJIAUTJT-MRVPVSSYSA-N 0 0 275.399 1.114 10 70 CDIERN CCOC[C@H](O)CN[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000161284078 377552713 /nfs/dbraw/zinc/55/27/13/377552713.db2.gz UNFLGZFILOHBMT-TZMCWYRMSA-N 0 0 290.367 1.315 10 70 CDIERN COCCc1cc(NC(=O)c2cc(C(C)C)on2)n(C)n1 ZINC000161278448 377543944 /nfs/dbraw/zinc/54/39/44/377543944.db2.gz CWHZCLCZUIHOEG-UHFFFAOYSA-N 0 0 292.339 1.973 10 70 CDIERN Cc1ccc(S(=O)(=O)C[C@H](C)CS(C)(=O)=O)cc1 ZINC000160339068 292784516 /nfs/dbraw/zinc/78/45/16/292784516.db2.gz GOSBMARVLGLMEX-LLVKDONJSA-N 0 0 290.406 1.449 10 70 CDIERN CCn1cnnc1[C@@H]1CCCN(CC(=O)NCC(C)C)C1 ZINC000161319884 523596219 /nfs/dbraw/zinc/59/62/19/523596219.db2.gz RJWKXQRPXAULGP-CYBMUJFWSA-N 0 0 293.415 1.250 10 70 CDIERN Cc1noc([C@H]2COCCN2CCOC(C)C)n1 ZINC000160861120 526673121 /nfs/dbraw/zinc/67/31/21/526673121.db2.gz FUKRVSBKULKZEN-LLVKDONJSA-N 0 0 255.318 1.176 10 70 CDIERN Cn1cc(CN2CCO[C@H](c3nccs3)C2)cn1 ZINC000161448492 527206972 /nfs/dbraw/zinc/20/69/72/527206972.db2.gz OZTZCQXONSGBBA-NSHDSACASA-N 0 0 264.354 1.450 10 70 CDIERN CCOc1ccc(C(=O)NC2(CO)CC2)cc1OC ZINC000159827476 528397007 /nfs/dbraw/zinc/39/70/07/528397007.db2.gz FBOADIQVWBADGZ-UHFFFAOYSA-N 0 0 265.309 1.349 10 70 CDIERN CC[C@H](CCO)NC(=O)CN(C)c1ccc(Cl)cn1 ZINC000160062985 539082435 /nfs/dbraw/zinc/08/24/35/539082435.db2.gz KEMCHSLIKVAMIJ-LLVKDONJSA-N 0 0 285.775 1.448 10 70 CDIERN Cn1cnnc1CNC(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000160131637 362034671 /nfs/dbraw/zinc/03/46/71/362034671.db2.gz DBRNRSABVHFDRF-ONGXEEELSA-N 0 0 292.289 1.513 10 70 CDIERN O=C(CNC(=O)c1cccnc1)Nc1cccc2[nH]ccc21 ZINC000160273072 362205811 /nfs/dbraw/zinc/20/58/11/362205811.db2.gz GEPRXEHVZDRSAE-UHFFFAOYSA-N 0 0 294.314 1.931 10 70 CDIERN COc1ccc([S@](=O)C[C@H](C)CS(C)(=O)=O)cc1 ZINC000161050565 362516002 /nfs/dbraw/zinc/51/60/02/362516002.db2.gz OMYPUZYXDNQSGF-BTDLBPIBSA-N 0 0 290.406 1.484 10 70 CDIERN COCCS(=O)(=O)N(C)[C@H](C)Cc1ccc(C)cc1 ZINC000159812809 345272357 /nfs/dbraw/zinc/27/23/57/345272357.db2.gz KYCUNVOXJNMMNM-CYBMUJFWSA-N 0 0 285.409 1.834 10 70 CDIERN CSC[C@@H](C)C(=O)N1CCC(OCCCO)CC1 ZINC000160195653 345630671 /nfs/dbraw/zinc/63/06/71/345630671.db2.gz JYUDENRHTANQKO-LLVKDONJSA-N 0 0 275.414 1.376 10 70 CDIERN CN(C)c1cccc(NC(=O)c2ccc3nnn(C)c3c2)n1 ZINC000159719502 363214347 /nfs/dbraw/zinc/21/43/47/363214347.db2.gz MOQXRHAYYCOQJV-UHFFFAOYSA-N 0 0 296.334 1.682 10 70 CDIERN CNC(=O)c1cccc(CCC(=O)Nc2nc(C)no2)c1 ZINC000159888372 363405790 /nfs/dbraw/zinc/40/57/90/363405790.db2.gz AQUQFCOHICYBBH-UHFFFAOYSA-N 0 0 288.307 1.309 10 70 CDIERN CCCC(=O)NCC(=O)Nc1n[nH]c(-c2ccc(C)o2)n1 ZINC000160375556 358602282 /nfs/dbraw/zinc/60/22/82/358602282.db2.gz UOPSKFZLMGPAJR-UHFFFAOYSA-N 0 0 291.311 1.228 10 70 CDIERN O=C(C1CCN(C(=O)[C@H]2CCCCO2)CC1)N1CCCC1 ZINC000160384865 237172026 /nfs/dbraw/zinc/17/20/26/237172026.db2.gz BVWUWEOKQXBJMJ-CQSZACIVSA-N 0 0 294.395 1.417 10 70 CDIERN COC(=O)CCC(=O)NCc1nc2c(cccc2C)[nH]1 ZINC000160330284 363816405 /nfs/dbraw/zinc/81/64/05/363816405.db2.gz NPWNLSZMXCCSNR-UHFFFAOYSA-N 0 0 275.308 1.441 10 70 CDIERN CC[C@@H]1CN(C(=O)c2cnc3c(c2)ncn3C)CCS1 ZINC000160659489 370697748 /nfs/dbraw/zinc/69/77/48/370697748.db2.gz GWWVYBQMHHOYDP-LLVKDONJSA-N 0 0 290.392 1.936 10 70 CDIERN CC[C@@H](C)OCC(=O)N(C)[C@@H](C)C(=O)OC(C)(C)C ZINC000160460985 363880780 /nfs/dbraw/zinc/88/07/80/363880780.db2.gz GJRWXPPDNWJLHQ-MNOVXSKESA-N 0 0 273.373 1.990 10 70 CDIERN C[C@H](Cc1ccc(O)cc1)N(C)C(=O)[C@@H]1CN(C)CCO1 ZINC000160510221 363963340 /nfs/dbraw/zinc/96/33/40/363963340.db2.gz XEDKSRHMMSGSNU-DOMZBBRYSA-N 0 0 292.379 1.112 10 70 CDIERN O=C(CCSc1ccccn1)NC1(CO)CC1 ZINC000160551648 363990663 /nfs/dbraw/zinc/99/06/63/363990663.db2.gz AUAXXEIUJRLUDA-UHFFFAOYSA-N 0 0 252.339 1.205 10 70 CDIERN CCCNC(=O)NC(=O)CN(CC)CCc1nccs1 ZINC000159394461 364199138 /nfs/dbraw/zinc/19/91/38/364199138.db2.gz GECQECMYTBBXRI-UHFFFAOYSA-N 0 0 298.412 1.243 10 70 CDIERN COc1nc(C)nc(N(C)C[C@@H]2CCOC2)c1C ZINC000159418568 364203176 /nfs/dbraw/zinc/20/31/76/364203176.db2.gz HVHYRXNNBLQCCZ-NSHDSACASA-N 0 0 251.330 1.575 10 70 CDIERN CC(C)[C@H](Sc1ccccc1)C(=O)NCCO ZINC000159481665 364214549 /nfs/dbraw/zinc/21/45/49/364214549.db2.gz GNFIKQZMUOHBOB-LBPRGKRZSA-N 0 0 253.367 1.912 10 70 CDIERN COC[C@@H](O)CNC(=O)[C@H]1SCCc2sccc21 ZINC000159521997 364226821 /nfs/dbraw/zinc/22/68/21/364226821.db2.gz ZSDKYYUFASXLJX-KWQFWETISA-N 0 0 287.406 1.202 10 70 CDIERN CCCOC(=O)[C@H](C)N1CCO[C@H](c2nccs2)C1 ZINC000160113403 364307649 /nfs/dbraw/zinc/30/76/49/364307649.db2.gz QHYKFDPODKNMIW-QWRGUYRKSA-N 0 0 284.381 1.858 10 70 CDIERN CCc1cc(=O)[nH]c(CN(C)Cc2cnn(C)c2)n1 ZINC000160559778 364374658 /nfs/dbraw/zinc/37/46/58/364374658.db2.gz HAELVQCFNZYHTH-UHFFFAOYSA-N 0 0 261.329 1.110 10 70 CDIERN CC(C)C[C@@H](CO)NC(=O)[C@H](C)c1cccnc1 ZINC000160639403 364386702 /nfs/dbraw/zinc/38/67/02/364386702.db2.gz PYZYRVMCGROUIT-YPMHNXCESA-N 0 0 250.342 1.708 10 70 CDIERN COc1cc(-c2noc(C[C@H](O)C(C)C)n2)ccn1 ZINC000161012788 364438853 /nfs/dbraw/zinc/43/88/53/364438853.db2.gz YWKNCFRUKMXVCY-JTQLQIEISA-N 0 0 263.297 1.700 10 70 CDIERN CNc1snc(C)c1C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000161228442 364465744 /nfs/dbraw/zinc/46/57/44/364465744.db2.gz BYHRQQPKBJBRHX-ONGXEEELSA-N 0 0 296.440 1.952 10 70 CDIERN Cc1cc(C[C@@H](C)NC(=O)Cc2ccc(C)nc2)[nH]n1 ZINC000161399601 364488013 /nfs/dbraw/zinc/48/80/13/364488013.db2.gz GMEHOLAOEOSLNX-LLVKDONJSA-N 0 0 272.352 1.711 10 70 CDIERN Cc1noc(Cl)c1CC(=O)N1CCN(C2CC2)CC1 ZINC000161429071 377621083 /nfs/dbraw/zinc/62/10/83/377621083.db2.gz IFGJKALAGLLDAD-UHFFFAOYSA-N 0 0 283.759 1.486 10 70 CDIERN CN(C(=O)NCC1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000217598398 391024490 /nfs/dbraw/zinc/02/44/90/391024490.db2.gz BFQDWCJZDOQDAF-LBPRGKRZSA-N 0 0 288.413 1.395 10 70 CDIERN C[C@@H]1CN(CCCS(C)(=O)=O)C[C@@H](c2ccccc2)O1 ZINC000216813293 262341455 /nfs/dbraw/zinc/34/14/55/262341455.db2.gz PGBWXZAXGIOWFI-HIFRSBDPSA-N 0 0 297.420 1.883 10 70 CDIERN CCC(C)(C)[C@H]1CCCN1C(=O)C1(NC(N)=O)CC1 ZINC000159614446 282035957 /nfs/dbraw/zinc/03/59/57/282035957.db2.gz CWMGUJMFWXCCOA-SNVBAGLBSA-N 0 0 267.373 1.615 10 70 CDIERN CC[C@@H](NS(=O)(=O)[C@H](C)COC)c1nccs1 ZINC000159971546 292774970 /nfs/dbraw/zinc/77/49/70/292774970.db2.gz DLFKZBZOZGUXTP-RKDXNWHRSA-N 0 0 278.399 1.549 10 70 CDIERN C[C@H]1CC[C@H](C(=O)N(C)CC(C)(C)CN2CCOCC2)O1 ZINC000159902310 292772879 /nfs/dbraw/zinc/77/28/79/292772879.db2.gz MKAWHOOODPHFDH-UONOGXRCSA-N 0 0 298.427 1.371 10 70 CDIERN C[C@@H]1CC[C@H](C(=O)N(C)CC(C)(C)CN2CCOCC2)O1 ZINC000159902187 292772900 /nfs/dbraw/zinc/77/29/00/292772900.db2.gz MKAWHOOODPHFDH-ZIAGYGMSSA-N 0 0 298.427 1.371 10 70 CDIERN CC(C)NC(=O)Nc1ccc(C(=O)NC2(CO)CC2)cc1 ZINC000160250444 292781922 /nfs/dbraw/zinc/78/19/22/292781922.db2.gz XLYCUBACYMXFEI-UHFFFAOYSA-N 0 0 291.351 1.471 10 70 CDIERN O=C(NC1(CO)CC1)c1csc(-c2ccoc2)n1 ZINC000160298911 292783271 /nfs/dbraw/zinc/78/32/71/292783271.db2.gz ALZNNLOGCMDDBC-UHFFFAOYSA-N 0 0 264.306 1.658 10 70 CDIERN O=C(NC1(CO)CC1)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000160341603 292784232 /nfs/dbraw/zinc/78/42/32/292784232.db2.gz PPJOBWRXILKPQX-VHSXEESVSA-N 0 0 267.275 1.709 10 70 CDIERN CNC(=O)c1ccc(NC(=O)NC2(CO)CC2)cc1Cl ZINC000161140508 292800593 /nfs/dbraw/zinc/80/05/93/292800593.db2.gz IVKVUVGKHIJFBL-UHFFFAOYSA-N 0 0 297.742 1.346 10 70 CDIERN CC[C@@H]1CCCCCN1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000160809418 292794924 /nfs/dbraw/zinc/79/49/24/292794924.db2.gz AMZYEQYSIADYNZ-NWDGAFQWSA-N 0 0 288.413 1.538 10 70 CDIERN C[C@H](C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1)n1cccn1 ZINC000160441743 298081843 /nfs/dbraw/zinc/08/18/43/298081843.db2.gz HQTFTCNHTDBGGN-NFAWXSAZSA-N 0 0 277.368 1.598 10 70 CDIERN CCOC(=O)C[C@@H](C)NC(=O)c1ncccc1OCC ZINC000160737262 520837713 /nfs/dbraw/zinc/83/77/13/520837713.db2.gz FCYHFRSFNBQPMG-SNVBAGLBSA-N 0 0 280.324 1.552 10 70 CDIERN CCC[C@H](NC(=O)[C@H]1CC(=O)N(C)C1)C(=O)OC(C)(C)C ZINC000161393736 521140070 /nfs/dbraw/zinc/14/00/70/521140070.db2.gz UIUQLVIYIJEMED-QWRGUYRKSA-N 0 0 298.383 1.091 10 70 CDIERN Cc1noc([C@H]2COCCN2Cc2nccn2C(C)C)n1 ZINC000161005568 526674302 /nfs/dbraw/zinc/67/43/02/526674302.db2.gz MEHKRZLXTBPXCM-GFCCVEGCSA-N 0 0 291.355 1.729 10 70 CDIERN CC(C)c1ccc(OCC(=O)NC2(CO)CC2)cc1 ZINC000159825635 528117489 /nfs/dbraw/zinc/11/74/89/528117489.db2.gz XCVPEONYQYTXOG-UHFFFAOYSA-N 0 0 263.337 1.830 10 70 CDIERN C[C@@H]1CC[C@H](C(=O)NCc2ccc(O)c(F)c2)O1 ZINC000159801972 361863617 /nfs/dbraw/zinc/86/36/17/361863617.db2.gz YSOAAGBJRXMPAB-PRHODGIISA-N 0 0 253.273 1.715 10 70 CDIERN COc1cc(CCNC(=O)[C@H]2CC[C@H](C)O2)ccc1O ZINC000159767615 539114696 /nfs/dbraw/zinc/11/46/96/539114696.db2.gz LOCHKSOZHZZBNG-GXFFZTMASA-N 0 0 279.336 1.627 10 70 CDIERN CCc1cc(C)c(C(=O)N2CCCN(C(N)=O)CC2)o1 ZINC000159810195 539114748 /nfs/dbraw/zinc/11/47/48/539114748.db2.gz KHLBEOVMOFMCGE-UHFFFAOYSA-N 0 0 279.340 1.377 10 70 CDIERN COC[C@@H](O)CCNC(=O)Nc1cccc([C@@H](C)OC)c1 ZINC000160973080 362373051 /nfs/dbraw/zinc/37/30/51/362373051.db2.gz BWRBDPCCPGUUNG-RISCZKNCSA-N 0 0 296.367 1.913 10 70 CDIERN C[C@H](CNC(=O)NCCCC1CC1)CN1CCOCC1 ZINC000160402285 346061712 /nfs/dbraw/zinc/06/17/12/346061712.db2.gz XTOOUTYTWKJLNS-CYBMUJFWSA-N 0 0 283.416 1.444 10 70 CDIERN CCc1nc(CSC[C@@H](C)CS(C)(=O)=O)no1 ZINC000159745449 363269423 /nfs/dbraw/zinc/26/94/23/363269423.db2.gz YDJJAVLHTFHWQI-MRVPVSSYSA-N 0 0 278.399 1.546 10 70 CDIERN CCCNC(=O)c1cccc(NC(=O)NC2(CO)CC2)c1 ZINC000160705557 360822757 /nfs/dbraw/zinc/82/27/57/360822757.db2.gz PSQLCFFOTHOQJG-UHFFFAOYSA-N 0 0 291.351 1.473 10 70 CDIERN O=C(Cc1ccccc1Br)NC1(CO)CC1 ZINC000160251636 363795863 /nfs/dbraw/zinc/79/58/63/363795863.db2.gz YSMPAOXPNQEFLG-UHFFFAOYSA-N 0 0 284.153 1.633 10 70 CDIERN O=C(Cc1ccn(-c2ccc(F)cc2)n1)NC1(CO)CC1 ZINC000160260001 363799570 /nfs/dbraw/zinc/79/95/70/363799570.db2.gz HWCHTFSWAFVQQC-UHFFFAOYSA-N 0 0 289.310 1.195 10 70 CDIERN COC(=O)Cn1cc(CCOc2cc(C)ccc2F)nn1 ZINC000159828537 364272094 /nfs/dbraw/zinc/27/20/94/364272094.db2.gz CUQHZVULSVNNRN-UHFFFAOYSA-N 0 0 293.298 1.520 10 70 CDIERN CN(CC1CC1)C(=O)c1cccc2c1oc(=O)n2C ZINC000160309059 364333435 /nfs/dbraw/zinc/33/34/35/364333435.db2.gz OOKLOUGBCUJPLT-UHFFFAOYSA-N 0 0 260.293 1.614 10 70 CDIERN CCOCCNC(=O)N1CCO[C@H](c2ccsc2)C1 ZINC000159965325 364287926 /nfs/dbraw/zinc/28/79/26/364287926.db2.gz MKYBRKRHGJOSTM-LBPRGKRZSA-N 0 0 284.381 1.868 10 70 CDIERN CC[C@@H](N[C@@H](C)C(=O)NC(=O)NC1CC1)c1nccs1 ZINC000161130156 367228039 /nfs/dbraw/zinc/22/80/39/367228039.db2.gz IEQDJLPKFAUOSW-WCBMZHEXSA-N 0 0 296.396 1.561 10 70 CDIERN 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