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/nfs/dbraw/zinc/08/21/58/196082158.db2.gz HJALVQGWSUYDRX-NXEZZACHSA-N 0 0 275.356 0.022 10 0 CCAERN Cc1c(N)cccc1C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000020194402 171060046 /nfs/dbraw/zinc/06/00/46/171060046.db2.gz LTPUBORNFNQVKM-SNVBAGLBSA-N 0 0 282.365 0.836 10 0 CCAERN COC(=O)CN1C(=O)NC2(C1=O)[C@H](C)CCC[C@@H]2C ZINC000020368901 171166890 /nfs/dbraw/zinc/16/68/90/171166890.db2.gz CMXIEKOYBXMLTK-PHXKMMTBSA-N 0 0 268.313 0.906 10 0 CCAERN CC[N@@H+]1CCC[C@@H]1Cn1nnnc1SCC(=O)[O-] ZINC000020588024 171259899 /nfs/dbraw/zinc/25/98/99/171259899.db2.gz IWYXZMJYIGANKD-MRVPVSSYSA-N 0 0 271.346 0.334 10 0 CCAERN C[C@@H]1Nc2ncnn2[C@@H](c2ccccc2)[C@@H]1C(N)=O ZINC000020803442 171273071 /nfs/dbraw/zinc/27/30/71/171273071.db2.gz KHVFOVZLSROISH-GDPRMGEGSA-N 0 0 257.297 0.783 10 0 CCAERN CCOC(=O)[C@H](C)Sc1nnc(COC)n1N ZINC000020843687 171275921 /nfs/dbraw/zinc/27/59/21/171275921.db2.gz IQMAWDHOYSWXST-LURJTMIESA-N 0 0 260.319 0.182 10 0 CCAERN COc1ccccc1CCC(=O)Nc1c[nH]c(=O)[nH]c1=O ZINC000021027203 171291064 /nfs/dbraw/zinc/29/10/64/171291064.db2.gz DFUSSBJKQVTSBB-UHFFFAOYSA-N 0 0 289.291 0.643 10 0 CCAERN O=C(c1n[nH]c(=O)c2ccccc21)N1CCC[C@@H](O)C1 ZINC000021411099 171303761 /nfs/dbraw/zinc/30/37/61/171303761.db2.gz UBRJUENVXAMFFP-SECBINFHSA-N 0 0 273.292 0.520 10 0 CCAERN Cc1[nH]ccc1C(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000284740879 196122963 /nfs/dbraw/zinc/12/29/63/196122963.db2.gz QNPFOSAIRHNWAY-STQMWFEESA-N 0 0 263.341 0.868 10 0 CCAERN CCN1C(=O)C=C(Nc2ccccc2OCCO)C1=O ZINC000021945438 171338316 /nfs/dbraw/zinc/33/83/16/171338316.db2.gz GIRDIPORJJJFIU-UHFFFAOYSA-N 0 0 276.292 0.742 10 0 CCAERN CCN1C(=O)C=C(Nc2cccc(OCCO)c2)C1=O ZINC000021945777 171338430 /nfs/dbraw/zinc/33/84/30/171338430.db2.gz JUPKKAOYRHTCSB-UHFFFAOYSA-N 0 0 276.292 0.742 10 0 CCAERN COC[C@H](C)NS(=O)(=O)c1ccc(C)c(N)c1 ZINC000022151451 171358528 /nfs/dbraw/zinc/35/85/28/171358528.db2.gz OKWKNJLGZJPVDD-VIFPVBQESA-N 0 0 258.343 0.890 10 0 CCAERN Nc1ccc(F)c(NC(=O)CN2CCOCC2)c1 ZINC000022152553 171359613 /nfs/dbraw/zinc/35/96/13/171359613.db2.gz JEJJHOGWVORQJZ-UHFFFAOYSA-N 0 0 253.277 0.679 10 0 CCAERN Nc1cc(F)ccc1NC(=O)CN1CCOCC1 ZINC000022156596 171363088 /nfs/dbraw/zinc/36/30/88/171363088.db2.gz FSDGUBLTPFGHJQ-UHFFFAOYSA-N 0 0 253.277 0.679 10 0 CCAERN COc1ccc(N)cc1NC(=O)[C@H](C)N1CCNC(=O)C1 ZINC000022217700 171376283 /nfs/dbraw/zinc/37/62/83/171376283.db2.gz KNONRDZQEYBMTD-VIFPVBQESA-N 0 0 292.339 0.036 10 0 CCAERN Cc1ccc(C(=O)N2CCC[C@](O)(C(N)=O)C2)cc1 ZINC000284808609 196136045 /nfs/dbraw/zinc/13/60/45/196136045.db2.gz BAJRKRHELGZRQB-CQSZACIVSA-N 0 0 262.309 0.447 10 0 CCAERN O=c1/c(=C\c2nc3ccccc3[nH]2)sc2n1CCN=2 ZINC000027230409 171511284 /nfs/dbraw/zinc/51/12/84/171511284.db2.gz HTWWPAYYKWMSHU-JXMROGBWSA-N 0 0 270.317 0.248 10 0 CCAERN NC(=O)[C@@]1(O)CCCN(C(=O)Cc2ccc(F)cc2)C1 ZINC000284840922 196142021 /nfs/dbraw/zinc/14/20/21/196142021.db2.gz DBDHTOYVHUUXQT-CQSZACIVSA-N 0 0 280.299 0.207 10 0 CCAERN Nc1ccc2c(c1)C(=O)N([C@H]1CCC(=O)NC1=O)C2 ZINC000029389965 171596069 /nfs/dbraw/zinc/59/60/69/171596069.db2.gz LAGNQECGHYBSCQ-JTQLQIEISA-N 0 0 259.265 0.030 10 0 CCAERN CC(=O)N1CCC[C@](O)(C(=O)Nc2ccc(O)cc2)C1 ZINC000284876343 196148368 /nfs/dbraw/zinc/14/83/68/196148368.db2.gz LWHLILUWHMLOLX-CQSZACIVSA-N 0 0 278.308 0.704 10 0 CCAERN Nn1c(=O)cnnc1SCC(=O)NC1CCCCCC1 ZINC000032521153 171731723 /nfs/dbraw/zinc/73/17/23/171731723.db2.gz ZBPYSXCWPXDBSU-UHFFFAOYSA-N 0 0 297.384 0.283 10 0 CCAERN CC[C@@H]1C[C@@H](C(=O)N2CCCC[C@H]2C(=O)NC)CC(=O)N1 ZINC000408202057 287262392 /nfs/dbraw/zinc/26/23/92/287262392.db2.gz HIUIPMLEAAAVES-UTUOFQBUSA-N 0 0 295.383 0.418 10 0 CCAERN CC(C)(C)[C@H](O)CNC(=O)[C@H]1CCCS1(=O)=O ZINC000654905076 412449309 /nfs/dbraw/zinc/44/93/09/412449309.db2.gz RVWCJSJKNGOJDL-RKDXNWHRSA-N 0 0 263.359 0.087 10 0 CCAERN C[C@@H](O)CNC(=O)CNC(=O)c1ccc(Cl)cc1 ZINC000035113992 171986729 /nfs/dbraw/zinc/98/67/29/171986729.db2.gz XXQLEGUYLDCRGB-MRVPVSSYSA-N 0 0 270.716 0.567 10 0 CCAERN CCCNC(=O)CNCC(=O)Nc1ccc(OC)cc1 ZINC000035148367 172009704 /nfs/dbraw/zinc/00/97/04/172009704.db2.gz UNEHGSCRTOPWRN-UHFFFAOYSA-N 0 0 279.340 0.750 10 0 CCAERN COC(=O)CCCCCNC(=O)[C@H](NC(N)=O)C(C)C ZINC000035153521 172016165 /nfs/dbraw/zinc/01/61/65/172016165.db2.gz MCCYURNGTJKOPF-LLVKDONJSA-N 0 0 287.360 0.529 10 0 CCAERN CCn1nnc2cc(C(=O)N(C)CC(=O)OC)ccc21 ZINC000035163195 172023769 /nfs/dbraw/zinc/02/37/69/172023769.db2.gz WHRGKOZKJFTNJZ-UHFFFAOYSA-N 0 0 276.296 0.696 10 0 CCAERN CCCCCNC(=O)[C@@H](C)SC[C@H]([NH3+])C(=O)[O-] ZINC000035185123 172038879 /nfs/dbraw/zinc/03/88/79/172038879.db2.gz HXWQSNSTFMPCBM-BDAKNGLRSA-N 0 0 262.375 0.826 10 0 CCAERN CC(C)C[C@@H](NC(N)=O)C(=O)N1CCC[C@@H](O)C1 ZINC000035186997 172041321 /nfs/dbraw/zinc/04/13/21/172041321.db2.gz RGPLHHFAVOSTIU-NXEZZACHSA-N 0 0 257.334 0.053 10 0 CCAERN COc1cc([C@@H](C)O)ccc1OCC(=O)NC(N)=O ZINC000035188897 172043810 /nfs/dbraw/zinc/04/38/10/172043810.db2.gz HUOBHKOWZJOYJI-SSDOTTSWSA-N 0 0 268.269 0.322 10 0 CCAERN C[C@H](O)CNC(=O)CCc1ccc2c(c1)OCO2 ZINC000035203293 172046962 /nfs/dbraw/zinc/04/69/62/172046962.db2.gz PWASQKIGYLYTFT-VIFPVBQESA-N 0 0 251.282 0.845 10 0 CCAERN C[C@@H](CO)NC(=O)CCNC(=O)c1ccccc1 ZINC000035204923 172048604 /nfs/dbraw/zinc/04/86/04/172048604.db2.gz UNOCCMOHPKDFEB-JTQLQIEISA-N 0 0 250.298 0.304 10 0 CCAERN COc1cc(C=O)cc(OC)c1OCC(=O)N(C)C ZINC000035206162 172050115 /nfs/dbraw/zinc/05/01/15/172050115.db2.gz YQYSFYYDGIIHBM-UHFFFAOYSA-N 0 0 267.281 0.983 10 0 CCAERN CC(=O)N[C@H](C(=O)N1CCCC[C@@H]1CO)C(C)C ZINC000035209153 172056051 /nfs/dbraw/zinc/05/60/51/172056051.db2.gz LCYJCUOQYSHPLT-NEPJUHHUSA-N 0 0 256.346 0.521 10 0 CCAERN COC(=O)C1CCN(C(=O)CCSCC(N)=O)CC1 ZINC000035220860 172062756 /nfs/dbraw/zinc/06/27/56/172062756.db2.gz CXTMTWACVSRRHW-UHFFFAOYSA-N 0 0 288.369 0.007 10 0 CCAERN CC(C)C(=O)N1CCC[C@H](C(=O)N[C@H](C)CO)C1 ZINC000035233520 172072900 /nfs/dbraw/zinc/07/29/00/172072900.db2.gz OOLDGWYTGDVMJQ-MNOVXSKESA-N 0 0 256.346 0.378 10 0 CCAERN C[C@H](NC(=O)c1cccc(S(N)(=O)=O)c1)[C@@H]1CCCO1 ZINC000035237287 172075216 /nfs/dbraw/zinc/07/52/16/172075216.db2.gz XPWSEQGBVSDZLC-CABZTGNLSA-N 0 0 298.364 0.631 10 0 CCAERN Nc1nc(CSC[C@H]([NH3+])C(=O)[O-])nc2ccccc12 ZINC000035296403 172108893 /nfs/dbraw/zinc/10/88/93/172108893.db2.gz BCOLNVWGYDFYLP-QMMMGPOBSA-N 0 0 278.337 0.857 10 0 CCAERN [NH3+][C@@H](CSCc1nc(-c2ccccn2)no1)C(=O)[O-] ZINC000035296388 172109092 /nfs/dbraw/zinc/10/90/92/172109092.db2.gz PQXUMMRQQPXZGN-ZETCQYMHSA-N 0 0 280.309 0.777 10 0 CCAERN CCCNS(=O)(=O)c1ccc(NCC(=O)NC)cc1 ZINC000035353221 172143635 /nfs/dbraw/zinc/14/36/35/172143635.db2.gz FUGXIIZIWJXYCT-UHFFFAOYSA-N 0 0 285.369 0.533 10 0 CCAERN NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccnc1Cl ZINC000035358534 172148232 /nfs/dbraw/zinc/14/82/32/172148232.db2.gz BCQKXEPXRTWGJF-SSDOTTSWSA-N 0 0 289.744 0.373 10 0 CCAERN COc1ccc(CCNC(=O)C[NH2+][C@H](C)C(=O)[O-])cc1 ZINC000035388123 172170495 /nfs/dbraw/zinc/17/04/95/172170495.db2.gz DYFQSBRWIXVRPN-SNVBAGLBSA-N 0 0 280.324 0.417 10 0 CCAERN O=C([O-])CCC[NH2+]CC(=O)NCCc1ccccc1 ZINC000035422621 172191251 /nfs/dbraw/zinc/19/12/51/172191251.db2.gz RMTYXWYTHBHRTF-UHFFFAOYSA-N 0 0 264.325 0.800 10 0 CCAERN COC(=O)[C@H]1CCCN1c1ncccc1C(N)=S ZINC000035423712 172191987 /nfs/dbraw/zinc/19/19/87/172191987.db2.gz VAGIAHNOGDBSDW-SECBINFHSA-N 0 0 265.338 0.858 10 0 CCAERN C[NH+]1CCN(c2nc3ccccn3c2C(=O)[O-])CC1 ZINC000035433177 172201453 /nfs/dbraw/zinc/20/14/53/172201453.db2.gz PIVCCSRQVVQYRS-UHFFFAOYSA-N 0 0 260.297 0.784 10 0 CCAERN CO[C@@H]1C[C@@H](CO)N(S(=O)(=O)c2ccc(C)s2)C1 ZINC000285206322 196220534 /nfs/dbraw/zinc/22/05/34/196220534.db2.gz WEMGLXNIMRGWIN-VHSXEESVSA-N 0 0 291.394 0.827 10 0 CCAERN Cc1ccc(N)c(C)c1S(=O)(=O)N[C@@H](C)CO ZINC000035599712 172288557 /nfs/dbraw/zinc/28/85/57/172288557.db2.gz OUTZIPJWAWZYPV-QMMMGPOBSA-N 0 0 258.343 0.545 10 0 CCAERN C[C@H](O)CNS(=O)(=O)c1cc(N)cc(Cl)c1F ZINC000035599579 172288584 /nfs/dbraw/zinc/28/85/84/172288584.db2.gz QRWGGTZERNICQB-YFKPBYRVSA-N 0 0 282.724 0.720 10 0 CCAERN Cc1nc(C(C)C)[nH]c(=O)c1C(=O)NC(C)(C)CO ZINC000035608086 172294025 /nfs/dbraw/zinc/29/40/25/172294025.db2.gz MHTDTMHFGJMPJS-UHFFFAOYSA-N 0 0 267.329 0.702 10 0 CCAERN Cc1cc(N)cc(S(=O)(=O)N2CCC[C@@H](O)C2)c1 ZINC000035612016 172298939 /nfs/dbraw/zinc/29/89/39/172298939.db2.gz PCGMZMVXMQJWJW-LLVKDONJSA-N 0 0 270.354 0.723 10 0 CCAERN CNS(=O)(=O)c1ccccc1N[C@@H](C)C(=O)OC ZINC000035660972 172338386 /nfs/dbraw/zinc/33/83/86/172338386.db2.gz WKGUDWPWUHZOQU-QMMMGPOBSA-N 0 0 272.326 0.568 10 0 CCAERN O=C([O-])C[NH+]1CCN(C(=O)Oc2ccccc2)CC1 ZINC000035680361 172351499 /nfs/dbraw/zinc/35/14/99/172351499.db2.gz JNHWLQOSBXPSGG-UHFFFAOYSA-N 0 0 264.281 0.888 10 0 CCAERN O=C([O-])CC[NH+]1CCN(C[C@H]2CCCCO2)CC1 ZINC000035687175 172354851 /nfs/dbraw/zinc/35/48/51/172354851.db2.gz DJKAMTSABSWSBT-GFCCVEGCSA-N 0 0 256.346 0.648 10 0 CCAERN NC(=O)[C@@]1(O)CCCN(C(=O)c2cc(F)ccc2F)C1 ZINC000285365766 196261485 /nfs/dbraw/zinc/26/14/85/196261485.db2.gz FCPGMCWBONVUDM-CYBMUJFWSA-N 0 0 284.262 0.417 10 0 CCAERN Nc1cccc(CS(=O)(=O)N2CCCC[C@@H]2CO)c1 ZINC000036129158 172450584 /nfs/dbraw/zinc/45/05/84/172450584.db2.gz BWHHRTOFEKSXKR-CYBMUJFWSA-N 0 0 284.381 0.945 10 0 CCAERN Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2CO)cc1 ZINC000036129137 172451105 /nfs/dbraw/zinc/45/11/05/172451105.db2.gz JTOTXIYQZZVTCD-LLVKDONJSA-N 0 0 270.354 0.804 10 0 CCAERN COCCNC(=O)COc1c(C=O)cccc1OC ZINC000036204275 172515826 /nfs/dbraw/zinc/51/58/26/172515826.db2.gz RWAMUEKTEXNKCD-UHFFFAOYSA-N 0 0 267.281 0.649 10 0 CCAERN CCCNC(=O)CNc1ccc(S(=O)(=O)NC)cc1 ZINC000036781158 172698727 /nfs/dbraw/zinc/69/87/27/172698727.db2.gz TURAMDNSVNRWKR-UHFFFAOYSA-N 0 0 285.369 0.533 10 0 CCAERN Cc1cccc(C(=O)N2CCC[C@@](O)(C(N)=O)C2)c1O ZINC000285569090 196329314 /nfs/dbraw/zinc/32/93/14/196329314.db2.gz PQVPKTQRDIBPEB-AWEZNQCLSA-N 0 0 278.308 0.153 10 0 CCAERN NC(=O)[C@@]1(O)CCCN(C(=O)c2ccsc2)C1 ZINC000285613664 196344101 /nfs/dbraw/zinc/34/41/01/196344101.db2.gz RZILDFPKSGQWFM-LLVKDONJSA-N 0 0 254.311 0.201 10 0 CCAERN NC(=O)[C@@]1(O)CCCN(C(=O)c2csc(Cl)c2)C1 ZINC000285702625 196371275 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/nfs/dbraw/zinc/31/28/75/295312875.db2.gz SZFFEMLXMWHKHR-MFKMUULPSA-N 0 0 292.335 0.511 10 0 CCAERN COc1cc[nH]c(=O)c1C(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000329155080 295425375 /nfs/dbraw/zinc/42/53/75/295425375.db2.gz CHORTEPDNRHUGP-DTORHVGOSA-N 0 0 264.281 0.799 10 0 CCAERN C[C@@H]1COCCN1C(=O)N[C@H]1CCC(=O)N[C@H]1C ZINC000408427258 297121344 /nfs/dbraw/zinc/12/13/44/297121344.db2.gz NKCJJSRELVYRDP-UTLUCORTSA-N 0 0 255.318 0.084 10 0 CCAERN C[C@@H]1COC[C@@H](C)N1C(=O)CCN1CCCS1(=O)=O ZINC000172575668 297146267 /nfs/dbraw/zinc/14/62/67/297146267.db2.gz LGEXGDHGMVUUBD-GHMZBOCLSA-N 0 0 290.385 0.048 10 0 CCAERN C[C@@H]1C[C@H](S(=O)(=O)N2CCC[C@@H](C)[C@@H]2CO)CCO1 ZINC000408460544 297457436 /nfs/dbraw/zinc/45/74/36/297457436.db2.gz PAKAYTPUOKOTDZ-LPWJVIDDSA-N 0 0 291.413 0.977 10 0 CCAERN C[C@@H]1OCC[C@@H]1NC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000130583934 297597600 /nfs/dbraw/zinc/59/76/00/297597600.db2.gz CWQJTWZFSWOVGH-YVNDNENWSA-N 0 0 284.381 0.734 10 0 CCAERN CO[C@@H]1C[C@@H](CO)N(c2cc(CO)cc(C)n2)C1 ZINC000394118426 545087861 /nfs/dbraw/zinc/08/78/61/545087861.db2.gz YWCPLKDHLFCUEE-NWDGAFQWSA-N 0 0 252.314 0.468 10 0 CCAERN C[C@H](CNS(=O)(=O)CCC(=O)[O-])C[NH+]1CCCCC1 ZINC000038041981 298773904 /nfs/dbraw/zinc/77/39/04/298773904.db2.gz XFPLZJQOMUNALQ-LLVKDONJSA-N 0 0 292.401 0.503 10 0 CCAERN C[C@H]1CN(C(=O)C2CCC(O)CC2)C[C@H]1N1CCOCC1 ZINC000194362217 300119000 /nfs/dbraw/zinc/11/90/00/300119000.db2.gz RLLVUGGTUCUPIS-VXGQWTEUSA-N 0 0 296.411 0.717 10 0 CCAERN C[C@H]1CN(C(=O)c2cnn3c2OCCC3)C[C@H](C)O1 ZINC000090626889 300207765 /nfs/dbraw/zinc/20/77/65/300207765.db2.gz VEDOQGZLBVKYBD-UWVGGRQHSA-N 0 0 265.313 0.915 10 0 CCAERN C[C@H]1CN2CCCC[C@@H]2CN1S(=O)(=O)c1cn(C)cn1 ZINC000329654095 300309364 /nfs/dbraw/zinc/30/93/64/300309364.db2.gz LRHGGPPXNNPPMV-NWDGAFQWSA-N 0 0 298.412 0.667 10 0 CCAERN C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc(=O)n2[n-]ccc2n1 ZINC000113269525 300315245 /nfs/dbraw/zinc/31/52/45/300315245.db2.gz OJURZPPXRNHNRL-WCQYABFASA-N 0 0 287.367 0.691 10 0 CCAERN C[C@H]1OCC[C@@H]1NC(=O)C1(S(C)(=O)=O)CCCC1 ZINC000408032968 300606538 /nfs/dbraw/zinc/60/65/38/300606538.db2.gz FTRLJHSMQNUOLY-ZJUUUORDSA-N 0 0 275.370 0.637 10 0 CCAERN O=C1N[C@H](c2cc(F)c(F)c(F)c2)N2CCOC[C@H]12 ZINC000180272424 304685626 /nfs/dbraw/zinc/68/56/26/304685626.db2.gz NRXCKVZOOABOPV-KOLCDFICSA-N 0 0 272.226 0.933 10 0 CCAERN Cc1c[nH]cc(C(=O)N[C@@H]2C[C@@H]3OCCC[C@@H]23)c1=O ZINC000408422038 301029391 /nfs/dbraw/zinc/02/93/91/301029391.db2.gz PAVKAOHKOOWDJJ-WCQGTBRESA-N 0 0 262.309 0.981 10 0 CCAERN Cc1cc(N2CC[NH2+]C[C@@H]2C(=O)[O-])nc(Cl)n1 ZINC000095068831 301338885 /nfs/dbraw/zinc/33/88/85/301338885.db2.gz CGGIRAFKQHPWHO-SSDOTTSWSA-N 0 0 256.693 0.301 10 0 CCAERN Cc1cc(=O)[nH]cc1C(=O)N1C[C@H](F)C[C@H]1CO ZINC000444566215 301376372 /nfs/dbraw/zinc/37/63/72/301376372.db2.gz DBRBXQNNIMKSPI-BDAKNGLRSA-N 0 0 254.261 0.641 10 0 CCAERN O=S(=O)([C@@H]1C[C@@H]2CC[C@H]1C2)N1CCC(O)CC1 ZINC000333182096 304770187 /nfs/dbraw/zinc/77/01/87/304770187.db2.gz PZFNLIWQLAKTIJ-JFGNBEQYSA-N 0 0 259.371 0.962 10 0 CCAERN Cc1ccsc1C(=O)N1CCOC[C@H]1C(N)=O ZINC000091782409 302300884 /nfs/dbraw/zinc/30/08/84/302300884.db2.gz AQFDAJCNVYUQGI-QMMMGPOBSA-N 0 0 254.311 0.383 10 0 CCAERN Cc1cnn(C)c1S(=O)(=O)N[C@@H]1CCO[C@H]1C ZINC000286504148 302397988 /nfs/dbraw/zinc/39/79/88/302397988.db2.gz RJPUTLHIQUMXND-DTWKUNHWSA-N 0 0 259.331 0.184 10 0 CCAERN Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)C1(C)CC1 ZINC000408224002 302675317 /nfs/dbraw/zinc/67/53/17/302675317.db2.gz GFSBJLXUFIGFMD-VIFPVBQESA-N 0 0 270.358 0.893 10 0 CCAERN Cc1nn(C)c(Cl)c1[C@@H]1NC(=O)[C@H]2COCCN21 ZINC000093885248 302784072 /nfs/dbraw/zinc/78/40/72/302784072.db2.gz QMDMUVXJQLHQHS-GMSGAONNSA-N 0 0 270.720 0.211 10 0 CCAERN Cc1nnc(NC(=O)N2CC(N3CCOCC3)C2)s1 ZINC000023505640 302817560 /nfs/dbraw/zinc/81/75/60/302817560.db2.gz CUXSTMAIFRBMPX-UHFFFAOYSA-N 0 0 283.357 0.395 10 0 CCAERN NC(=O)NC1(C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)CC1 ZINC000119697459 303274238 /nfs/dbraw/zinc/27/42/38/303274238.db2.gz IPVLCUUNUHXYFA-YGRLFVJLSA-N 0 0 281.356 0.341 10 0 CCAERN O=C(N[C@H]1CC[C@@H](CO)CC1)[C@@H]1CCCCC(=O)N1 ZINC000194349667 303891590 /nfs/dbraw/zinc/89/15/90/303891590.db2.gz ZIKWUFDIPKWLEF-SRVKXCTJSA-N 0 0 268.357 0.713 10 0 CCAERN Cc1n[nH]c(C)c1NC(=O)CN1CCCNC(=O)[C@H]1C ZINC000189341748 327772468 /nfs/dbraw/zinc/77/24/68/327772468.db2.gz NWKKLQNZLNTYIK-SNVBAGLBSA-N 0 0 279.344 0.175 10 0 CCAERN C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000395238434 329284900 /nfs/dbraw/zinc/28/49/00/329284900.db2.gz XMIXEIDKTHYZRT-MXWKQRLJSA-N 0 0 254.330 0.840 10 0 CCAERN COC(=O)c1cncnc1N1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398852925 329446000 /nfs/dbraw/zinc/44/60/00/329446000.db2.gz NFQPLPGJXPSWQK-GARJFASQSA-N 0 0 277.324 0.860 10 0 CCAERN CC[C@H]1CN(C(=O)C(C)(C)OC)CCN1CCOC ZINC000172229134 335098349 /nfs/dbraw/zinc/09/83/49/335098349.db2.gz JHVZJNMGXGTGDG-LBPRGKRZSA-N 0 0 272.389 0.981 10 0 CCAERN CCN(CC)S(=O)(=O)N1CCC[C@@H](O)[C@@H]1C ZINC000384700038 336129547 /nfs/dbraw/zinc/12/95/47/336129547.db2.gz AKVPAFHRRILNHH-VHSXEESVSA-N 0 0 250.364 0.418 10 0 CCAERN CCCCn1nnnc1CN1CCC[C@@H](O)[C@@H]1C ZINC000384872314 336133245 /nfs/dbraw/zinc/13/32/45/336133245.db2.gz GLVRMTCSQQQQFL-WDEREUQCSA-N 0 0 253.350 0.818 10 0 CCAERN CCNS(=O)(=O)N1CCC(Cc2nccn2C)CC1 ZINC000178819750 535487633 /nfs/dbraw/zinc/48/76/33/535487633.db2.gz VCTIIDCJXVKKPC-UHFFFAOYSA-N 0 0 286.401 0.529 10 0 CCAERN CN[C@H](CCN1CCO[C@H]2CCC[C@@H]21)C(=O)OC ZINC000062461500 522458656 /nfs/dbraw/zinc/45/86/56/522458656.db2.gz WASPAXQIOFSXKM-WOPDTQHZSA-N 0 0 256.346 0.391 10 0 CCAERN C[C@@H]1CC[C@H](C(=O)N2CCCC[C@@H]2CC(N)=O)O1 ZINC000151146148 534208202 /nfs/dbraw/zinc/20/82/02/534208202.db2.gz FWEQOEZGOOQBRO-GMTAPVOTSA-N 0 0 254.330 0.810 10 0 CCAERN CN(C)c1nccc(N2CC[C@H]3[C@@H](C2)NC(=O)N3C)n1 ZINC000408034771 517918157 /nfs/dbraw/zinc/91/81/57/517918157.db2.gz VKSJCCXQGGXJMS-ZJUUUORDSA-N 0 0 276.344 0.145 10 0 CCAERN CNC(=O)[C@H]1CN(C(=O)[C@@]2(C)CC2(Cl)Cl)CCO1 ZINC000183575651 517965986 /nfs/dbraw/zinc/96/59/86/517965986.db2.gz WHUNDVJTECYENV-GMSGAONNSA-N 0 0 295.166 0.544 10 0 CCAERN CC(=O)[C@H](NC(=O)C[NH2+][C@@H](C(=O)[O-])C1CC1)C(C)C ZINC000054523092 518217868 /nfs/dbraw/zinc/21/78/68/518217868.db2.gz QDVNWHAQUMCZAS-VXGBXAGGSA-N 0 0 270.329 0.169 10 0 CCAERN CC(C)(C)n1ccnc(N[C@@H]2CCCNC2=O)c1=O ZINC000061766258 519166768 /nfs/dbraw/zinc/16/67/68/519166768.db2.gz OOAFWIGXZDBPOO-SECBINFHSA-N 0 0 264.329 0.689 10 0 CCAERN CC(C)C(=O)CNS(=O)(=O)c1c(Cl)cnn1C ZINC000228067289 519449477 /nfs/dbraw/zinc/44/94/77/519449477.db2.gz UPPGWCFJQZKILI-UHFFFAOYSA-N 0 0 279.749 0.577 10 0 CCAERN CC(C)CCCNC(=O)Cn1cc(N)ccc1=O ZINC000061091376 519639300 /nfs/dbraw/zinc/63/93/00/519639300.db2.gz MFIXOZQMXZCKTK-UHFFFAOYSA-N 0 0 251.330 0.983 10 0 CCAERN CC(C)c1ccc(C(=O)N2CCC[C@](O)(C(N)=O)C2)nc1 ZINC000365653511 519834709 /nfs/dbraw/zinc/83/47/09/519834709.db2.gz LPLWKEICESLCRF-OAHLLOKOSA-N 0 0 291.351 0.657 10 0 CCAERN CC(C)c1nc(N(C)C)nc(N2C[C@H](F)C[C@H]2CO)n1 ZINC000363751344 519866086 /nfs/dbraw/zinc/86/60/86/519866086.db2.gz ZJGHLBDJHJWYCW-ZJUUUORDSA-N 0 0 283.351 0.970 10 0 CCAERN CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)[C@H]1CCC(=O)N1 ZINC000152169033 519870828 /nfs/dbraw/zinc/87/08/28/519870828.db2.gz NZGADNVLYCXSMZ-NXEZZACHSA-N 0 0 291.355 0.631 10 0 CCAERN CCCNC(=O)CNS(=O)(=O)c1ccc(NC)cc1 ZINC000050657843 519880154 /nfs/dbraw/zinc/88/01/54/519880154.db2.gz OAZIBGNMRWVBIK-UHFFFAOYSA-N 0 0 285.369 0.533 10 0 CCAERN CCNc1cc(C(=O)NCCNC(C)=O)ccn1 ZINC000050752740 520262005 /nfs/dbraw/zinc/26/20/05/520262005.db2.gz VMZULYBFXGLTLO-UHFFFAOYSA-N 0 0 250.302 0.379 10 0 CCAERN CCNc1ccc(S(=O)(=O)NC(C)(C)C(N)=O)cn1 ZINC000050676833 520320420 /nfs/dbraw/zinc/32/04/20/520320420.db2.gz LPKKOVMILGZUBT-UHFFFAOYSA-N 0 0 286.357 0.056 10 0 CCAERN CCOC(=O)[C@@H](C)Nc1ccc(C(=O)OC)nn1 ZINC000049374263 521030364 /nfs/dbraw/zinc/03/03/64/521030364.db2.gz CJJDMPMAZRTTHL-SSDOTTSWSA-N 0 0 253.258 0.627 10 0 CCAERN CCCN(CC(=O)OC)C(=O)Cc1csc(N)n1 ZINC000055272524 521565437 /nfs/dbraw/zinc/56/54/37/521565437.db2.gz BQTNOACLOWWOQV-UHFFFAOYSA-N 0 0 271.342 0.679 10 0 CCAERN CCC1(C(=O)[O-])CCN(C(=O)NCCC[NH2+]C)CC1 ZINC000062846960 521674292 /nfs/dbraw/zinc/67/42/92/521674292.db2.gz NYJAOEFMRLHXQZ-UHFFFAOYSA-N 0 0 271.361 0.882 10 0 CCAERN CC[N@@H+]1CC[C@H](CNc2nccnc2C(=O)[O-])C1 ZINC000054528197 521717710 /nfs/dbraw/zinc/71/77/10/521717710.db2.gz UTKOUKZAHXWCSI-SECBINFHSA-N 0 0 250.302 0.929 10 0 CCAERN COCCOc1nc(Cl)nc(-n2cncn2)n1 ZINC000061519704 521751878 /nfs/dbraw/zinc/75/18/78/521751878.db2.gz MMKUBTWLYDBZHD-UHFFFAOYSA-N 0 0 256.653 0.131 10 0 CCAERN CC[C@H](C)[C@@H](NC(N)=O)C(=O)NC[C@H](O)C(C)C ZINC000157663824 521855890 /nfs/dbraw/zinc/85/58/90/521855890.db2.gz CQGCOMLHNLHFQX-LPEHRKFASA-N 0 0 259.350 0.203 10 0 CCAERN COCC[C@H](NC(=O)C1CCC([NH3+])CC1)C(=O)[O-] ZINC000052786491 521953093 /nfs/dbraw/zinc/95/30/93/521953093.db2.gz OOPGXJFOLIDQIB-RTBKNWGFSA-N 0 0 258.318 0.110 10 0 CCAERN COC(=O)c1cn(CC(=O)N[C@H](C)C(C)C)nn1 ZINC000068270728 522318020 /nfs/dbraw/zinc/31/80/20/522318020.db2.gz KAXIFJPMAVGNPK-MRVPVSSYSA-N 0 0 254.290 0.225 10 0 CCAERN COC[C@@H](O)CN(C)c1nccn(C(C)(C)C)c1=O ZINC000061769564 522399882 /nfs/dbraw/zinc/39/98/82/522399882.db2.gz TZALJQHYTZTMJS-JTQLQIEISA-N 0 0 269.345 0.442 10 0 CCAERN CNc1cc(C(=O)NC[C@H]2COCCO2)ccn1 ZINC000050772706 522556978 /nfs/dbraw/zinc/55/69/78/522556978.db2.gz CLCJVWSQDIRPDK-JTQLQIEISA-N 0 0 251.286 0.269 10 0 CCAERN CNc1ccnc(C(=O)NCC(=O)NC(C)C)c1 ZINC000050755899 522667658 /nfs/dbraw/zinc/66/76/58/522667658.db2.gz JXWIJGDAPLZQBB-UHFFFAOYSA-N 0 0 250.302 0.378 10 0 CCAERN CNc1ncccc1S(=O)(=O)NCc1cnn(C)c1 ZINC000050674093 522713362 /nfs/dbraw/zinc/71/33/62/522713362.db2.gz BKJJPKUGYJRZLK-UHFFFAOYSA-N 0 0 281.341 0.335 10 0 CCAERN CNc1ncccc1S(=O)(=O)NCCn1cccn1 ZINC000050677075 522713634 /nfs/dbraw/zinc/71/36/34/522713634.db2.gz QALYDELEIDRULZ-UHFFFAOYSA-N 0 0 281.341 0.298 10 0 CCAERN CC(=O)N[C@H]1CCCN(C(=O)[C@@H](CO)C(C)C)C1 ZINC000408351938 534660504 /nfs/dbraw/zinc/66/05/04/534660504.db2.gz KFYVIMNYINIOLL-RYUDHWBXSA-N 0 0 256.346 0.378 10 0 CCAERN COCc1ccccc1N[C@@H](C)C(=O)NC(N)=O ZINC000049508419 523128012 /nfs/dbraw/zinc/12/80/12/523128012.db2.gz JISKOMJVHREGCK-QMMMGPOBSA-N 0 0 251.286 0.828 10 0 CCAERN COC(=O)[C@@H](N)CCSc1nnc2n1CCCCC2 ZINC000062599393 523601179 /nfs/dbraw/zinc/60/11/79/523601179.db2.gz PXLSPFDZJKFYCQ-VIFPVBQESA-N 0 0 284.385 0.987 10 0 CCAERN CN(c1ccccn1)S(=O)(=O)c1cnc(N)nc1 ZINC000050634831 523658739 /nfs/dbraw/zinc/65/87/39/523658739.db2.gz SWKRZPNJBCEIAA-UHFFFAOYSA-N 0 0 265.298 0.279 10 0 CCAERN CN(c1ncnc(Cl)c1N)[C@@H]1CCS(=O)(=O)C1 ZINC000062362965 523668171 /nfs/dbraw/zinc/66/81/71/523668171.db2.gz WFGKJACZVYSJGG-ZCFIWIBFSA-N 0 0 276.749 0.336 10 0 CCAERN C[C@@H]1CCCCN1C(=O)C[NH2+][C@H](C(=O)[O-])C1CC1 ZINC000054522317 524089969 /nfs/dbraw/zinc/08/99/69/524089969.db2.gz VWNMUIRMMFXLRR-SKDRFNHKSA-N 0 0 254.330 0.840 10 0 CCAERN C[C@H](CC[NH+](C)C)NC(=O)NC(=O)CCC(=O)[O-] ZINC000049560533 524155847 /nfs/dbraw/zinc/15/58/47/524155847.db2.gz OYMCJSWWJKYBSD-MRVPVSSYSA-N 0 0 259.306 0.017 10 0 CCAERN COc1ccc(Cn2ccn(C)c(=O)c2=O)cc1N ZINC000061796459 524262210 /nfs/dbraw/zinc/26/22/10/524262210.db2.gz OAVSMKBNKZAFBG-UHFFFAOYSA-N 0 0 261.281 0.186 10 0 CCAERN COc1ccc(NC(=O)[C@H](N)CC(N)=O)cc1C ZINC000049531978 524608741 /nfs/dbraw/zinc/60/87/41/524608741.db2.gz CDSJRMKJOBIYLZ-SECBINFHSA-N 0 0 251.286 0.145 10 0 CCAERN COc1ccncc1NC(=O)[C@]1(C)CCCNC1=O ZINC000365184802 524869033 /nfs/dbraw/zinc/86/90/33/524869033.db2.gz UBAVAORCKFJMKG-CYBMUJFWSA-N 0 0 263.297 0.945 10 0 CCAERN C[C@@H](Cc1ccsc1)NC(=O)C(=O)NCC(N)=S ZINC000049185952 524937967 /nfs/dbraw/zinc/93/79/67/524937967.db2.gz VJDODHGHYOMKSH-ZETCQYMHSA-N 0 0 285.394 0.198 10 0 CCAERN C[C@H]1C[C@H]1NC(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000052298272 524961524 /nfs/dbraw/zinc/96/15/24/524961524.db2.gz XNYSUWVSXKTEIL-OIBJUYFYSA-N 0 0 254.311 0.472 10 0 CCAERN Cc1cc(NC(=O)CC[NH2+][C@@H](C(=O)[O-])C2CC2)no1 ZINC000054523134 525128565 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ZINC000720971426 978090586 /nfs/dbraw/zinc/09/05/86/978090586.db2.gz DLTQWBRMYNPNQW-UTLUCORTSA-N 0 0 252.314 0.356 10 0 CCAERN CCC[C@@](C)(NC(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21)C(=O)[O-] ZINC000721011380 978092444 /nfs/dbraw/zinc/09/24/44/978092444.db2.gz GKPHTNSZFLKXFE-KEPMVKOISA-N 0 0 254.330 0.602 10 0 CCAERN CC(C)N1CC(NC(=O)c2csc(C(=O)[O-])n2)C1 ZINC000721420077 978104146 /nfs/dbraw/zinc/10/41/46/978104146.db2.gz IWWXYGZRTBHHSR-UHFFFAOYSA-N 0 0 269.326 0.664 10 0 CCAERN C[N@@H+]1C[C@H]2CN(C(=O)c3csc(C(=O)[O-])n3)C[C@@]2(C)C1 ZINC000721468413 978110993 /nfs/dbraw/zinc/11/09/93/978110993.db2.gz VJNHEMZXXPLARN-ISVAXAHUSA-N 0 0 295.364 0.865 10 0 CCAERN C[N@@H+]1C[C@@H](NC(=O)c2ccnc(C(=O)[O-])c2)C(C)(C)C1 ZINC000722272121 978134899 /nfs/dbraw/zinc/13/48/99/978134899.db2.gz PTCXJIYCZAOUQE-LLVKDONJSA-N 0 0 277.324 0.850 10 0 CCAERN [NH3+][C@H](CCC(=O)[O-])C(=O)NC[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000722390030 978140891 /nfs/dbraw/zinc/14/08/91/978140891.db2.gz SJNMLOGJQITVDL-RNJXMRFFSA-N 0 0 298.261 0.405 10 0 CCAERN O=C([O-])c1cc(C(=O)N2CC[NH+]3CCC2CC3)ccn1 ZINC000722812550 978166914 /nfs/dbraw/zinc/16/69/14/978166914.db2.gz JSQRDKSBKVTBDL-UHFFFAOYSA-N 0 0 275.308 0.700 10 0 CCAERN CC(C)[N@H+](C)CCNS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000723260662 978185016 /nfs/dbraw/zinc/18/50/16/978185016.db2.gz QMVCRTIDWNIIRO-AOOOYVTPSA-N 0 0 278.374 0.109 10 0 CCAERN CC(C)[N@H+](CCC(=O)[O-])C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724556884 978229480 /nfs/dbraw/zinc/22/94/80/978229480.db2.gz AWARMDZQQLKOOJ-WOPDTQHZSA-N 0 0 257.330 0.975 10 0 CCAERN C[N@H+](C[C@@H]1C[C@H]2COC[C@@H]2O1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000724589054 978231759 /nfs/dbraw/zinc/23/17/59/978231759.db2.gz DALUNNVRPOSBRT-SVNGYHJRSA-N 0 0 255.314 0.585 10 0 CCAERN O=C([O-])c1occc1C[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724602714 978232484 /nfs/dbraw/zinc/23/24/84/978232484.db2.gz NQTVOWXRLZYBNG-VWYCJHECSA-N 0 0 267.281 0.871 10 0 CCAERN CO[C@@H]1CCOC[C@H]1[NH2+]Cc1ccc(C(=O)[O-])o1 ZINC000724849931 978246643 /nfs/dbraw/zinc/24/66/43/978246643.db2.gz OTAUTKFUFZAOTM-NXEZZACHSA-N 0 0 255.270 0.871 10 0 CCAERN CN(CCC[NH+](C)C)C(=O)Nc1cc(C(=O)[O-])nn1C ZINC000725228341 978277863 /nfs/dbraw/zinc/27/78/63/978277863.db2.gz MTPDRTOIQWAUBB-UHFFFAOYSA-N 0 0 283.332 0.534 10 0 CCAERN CN1CCO[C@H](CNC(=O)Cc2cccc(N)c2)C1 ZINC000091662084 349471856 /nfs/dbraw/zinc/47/18/56/349471856.db2.gz SITRQSRDSZXMPT-CYBMUJFWSA-N 0 0 263.341 0.258 10 0 CCAERN C[C@H](Cc1ccccc1)C(=O)N1CCOC[C@@H]1C(N)=O ZINC000091778816 349475662 /nfs/dbraw/zinc/47/56/62/349475662.db2.gz UJBAIFNOLXJWJR-DGCLKSJQSA-N 0 0 276.336 0.578 10 0 CCAERN CSc1cc(OC2CC2)c(S(N)(=O)=O)cn1 ZINC000095733656 185022846 /nfs/dbraw/zinc/02/28/46/185022846.db2.gz SDTRWSVABMTJPO-UHFFFAOYSA-N 0 0 260.340 0.992 10 0 CCAERN CNC(=O)c1ccc(N2CC[C@H](C)[C@@H](O)C2)nn1 ZINC000092977938 349517302 /nfs/dbraw/zinc/51/73/02/349517302.db2.gz MPNMXHLBTVSNQA-WPRPVWTQSA-N 0 0 250.302 0.043 10 0 CCAERN COC(=O)C(C(=O)OC)c1cc(SC)ncn1 ZINC000095931337 185032452 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/nfs/dbraw/zinc/58/88/99/349588899.db2.gz OWUAZFSOEONHEE-MRVPVSSYSA-N 0 0 255.295 0.222 10 0 CCAERN O=C(OCc1ccccc1)N1CC[C@@](O)(CO)C1 ZINC000095078370 349589144 /nfs/dbraw/zinc/58/91/44/349589144.db2.gz VTCQSSUEKSVLQE-ZDUSSCGKSA-N 0 0 251.282 0.752 10 0 CCAERN Cn1ncc(I)c1-c1nn[nH]n1 ZINC000095215993 349596679 /nfs/dbraw/zinc/59/66/79/349596679.db2.gz XOTVSKHMNXKPBL-UHFFFAOYSA-N 0 0 276.041 0.205 10 0 CCAERN Brc1cc(-c2nn[nH]n2)cc(-c2nn[nH]n2)c1 ZINC000095217397 349597088 /nfs/dbraw/zinc/59/70/88/349597088.db2.gz KIDVVDZUEFPMMA-UHFFFAOYSA-N 0 0 293.088 0.809 10 0 CCAERN Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cccnc1 ZINC000097013000 185151626 /nfs/dbraw/zinc/15/16/26/185151626.db2.gz RCRGCTQTTDWKFJ-NSHDSACASA-N 0 0 293.352 0.795 10 0 CCAERN C[C@@H]1CC(=O)N[C@H](C(=O)NC[C@H](O)C(C)(C)C)C1 ZINC000408026613 137824618 /nfs/dbraw/zinc/82/46/18/137824618.db2.gz ZIHSLZYLVNUTEF-GUBZILKMSA-N 0 0 256.346 0.424 10 0 CCAERN Cc1csc(CNC(=O)[C@@H]2COCCN2C)n1 ZINC000408032440 137825534 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ZINC000408059829 357894849 /nfs/dbraw/zinc/89/48/49/357894849.db2.gz CKJUSCXZIFWPNY-MJBXVCDLSA-N 0 0 294.351 0.996 10 0 CCAERN CC(C)[C@@](C)(O)CNC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000408018986 357869098 /nfs/dbraw/zinc/86/90/98/357869098.db2.gz WIPKBZCHCLWISJ-PWSUYJOCSA-N 0 0 292.401 0.222 10 0 CCAERN O=C(CN1CCCCC1=O)N1CC[C@H](CCO)C1 ZINC000408025215 357872989 /nfs/dbraw/zinc/87/29/89/357872989.db2.gz PJXRBFCLZAHOAW-LLVKDONJSA-N 0 0 254.330 0.230 10 0 CCAERN COC[C@@H]1C[C@@H](OC)CN1S(=O)(=O)N1CCC[C@H]1C ZINC000408027227 357874198 /nfs/dbraw/zinc/87/41/98/357874198.db2.gz MIUATQWEDVKFPW-GRYCIOLGSA-N 0 0 292.401 0.451 10 0 CCAERN C[C@@H]1C[C@@H](CNC(=O)CC(=O)N(C)C)C[C@H](C)O1 ZINC000408028378 357874540 /nfs/dbraw/zinc/87/45/40/357874540.db2.gz RQZNHOVORCIONC-JGPRNRPPSA-N 0 0 256.346 0.785 10 0 CCAERN CCCN(C)S(=O)(=O)N1C[C@H](OC)C[C@H]1COC ZINC000408028658 357874593 /nfs/dbraw/zinc/87/45/93/357874593.db2.gz TVWLMZFKBIZJCZ-WDEREUQCSA-N 0 0 280.390 0.309 10 0 CCAERN CCCS(=O)(=O)N1C[C@H](OC)C[C@H]1c1nc[nH]n1 ZINC000408027560 357874938 /nfs/dbraw/zinc/87/49/38/357874938.db2.gz MBCGSIWQZYYZSU-BDAKNGLRSA-N 0 0 274.346 0.306 10 0 CCAERN CO[C@@H]1C[C@@H](CO)N(S(=O)(=O)CC2CCCC2)C1 ZINC000408029395 357875148 /nfs/dbraw/zinc/87/51/48/357875148.db2.gz XJLJKKIEYFNRIQ-NWDGAFQWSA-N 0 0 277.386 0.588 10 0 CCAERN C[C@@H]1CN(S(=O)(=O)N2CCC[C@@H](C)C2)C[C@H]1C(N)=O ZINC000408029506 357875613 /nfs/dbraw/zinc/87/56/13/357875613.db2.gz COINTGUQYCYFTD-GMTAPVOTSA-N 0 0 289.401 0.016 10 0 CCAERN CN(C)C(=O)CC(=O)N1CCCC[C@H]1c1ncon1 ZINC000408034371 357877497 /nfs/dbraw/zinc/87/74/97/357877497.db2.gz RYRBVSZYTLJKCL-VIFPVBQESA-N 0 0 266.301 0.602 10 0 CCAERN Cc1nc2c(cnn2C)c(N2C[C@@H](C)[C@H](C(N)=O)C2)n1 ZINC000408034050 357877623 /nfs/dbraw/zinc/87/76/23/357877623.db2.gz CSYMMXWCLRLVLC-GMSGAONNSA-N 0 0 274.328 0.229 10 0 CCAERN C[C@@H]1CN(C(=O)c2cn(C(C)(C)C)nn2)C[C@H]1C(N)=O ZINC000408039241 357880711 /nfs/dbraw/zinc/88/07/11/357880711.db2.gz VFZDYGABSQRMLC-RKDXNWHRSA-N 0 0 279.344 0.227 10 0 CCAERN C[C@@H]1CN(C(=O)[C@@H]2CCCO[C@H]2C)C[C@H]1C(N)=O ZINC000408038629 357880825 /nfs/dbraw/zinc/88/08/25/357880825.db2.gz OAFMUYNHZWZLON-LMLFDSFASA-N 0 0 254.330 0.381 10 0 CCAERN CN1CCOC[C@H]1C(=O)N1CCO[C@@H](c2ccco2)C1 ZINC000408041602 357882335 /nfs/dbraw/zinc/88/23/35/357882335.db2.gz MXSDXKRRLMHGMM-WCQYABFASA-N 0 0 280.324 0.510 10 0 CCAERN CN1CCOC[C@@H]1C(=O)NC[C@]1(C)CCCC[C@H]1O ZINC000408041211 357882622 /nfs/dbraw/zinc/88/26/22/357882622.db2.gz LIMUFUSMOAUVSN-BZPMIXESSA-N 0 0 270.373 0.374 10 0 CCAERN CO[C@H]1C[C@@H](C(=O)NC[C@H]2CCO[C@@H](C)C2)N(C)C1 ZINC000408044053 357884455 /nfs/dbraw/zinc/88/44/55/357884455.db2.gz MJVDSYGZEPZXEU-CYDGBPFRSA-N 0 0 270.373 0.637 10 0 CCAERN O=C(CN1CCOC[C@@H]1[C@H]1CCCC[C@H]1O)N1CCC1 ZINC000408045332 357885334 /nfs/dbraw/zinc/88/53/34/357885334.db2.gz QXRWBYWJXGWBTQ-MGPQQGTHSA-N 0 0 282.384 0.471 10 0 CCAERN CN1CCOC[C@H]1C(=O)Nc1ccc(O)cc1F ZINC000408047653 357887826 /nfs/dbraw/zinc/88/78/26/357887826.db2.gz RODCZKSYSDOBMI-NSHDSACASA-N 0 0 254.261 0.800 10 0 CCAERN COCc1cc(N2CCC[C@](C)(O)C2)n2ncnc2n1 ZINC000408049316 357888480 /nfs/dbraw/zinc/88/84/80/357888480.db2.gz XZIDHFDNYGEFBY-ZDUSSCGKSA-N 0 0 277.328 0.622 10 0 CCAERN CSC[C@@H](C)NC(=O)[C@]1(O)CCCN(C(C)=O)C1 ZINC000408051113 357890413 /nfs/dbraw/zinc/89/04/13/357890413.db2.gz NKEXOPIXZMORKO-SKDRFNHKSA-N 0 0 274.386 0.228 10 0 CCAERN CC(=O)N1CCC[C@@](O)(C(=O)NCC[C@@H]2CCCCO2)C1 ZINC000408052276 357890868 /nfs/dbraw/zinc/89/08/68/357890868.db2.gz ARBGPHUJXADHJM-ZFWWWQNUSA-N 0 0 298.383 0.435 10 0 CCAERN CC(=O)N1CC[C@H](C(=O)N2CCC[C@@H](C)[C@@H]2CO)C1 ZINC000408054044 357891487 /nfs/dbraw/zinc/89/14/87/357891487.db2.gz KFXMSQSPBJLFAC-WXHSDQCUSA-N 0 0 268.357 0.474 10 0 CCAERN CN1C(=O)N[C@@H]2CN(C(=O)[C@H]3CCSC3)CC[C@@H]21 ZINC000408053868 357891673 /nfs/dbraw/zinc/89/16/73/357891673.db2.gz WTVAUUMITBZYPH-AEJSXWLSSA-N 0 0 269.370 0.364 10 0 CCAERN C[C@H](CC(=O)N1C[C@@H](C)[C@H](C(N)=O)C1)N1CCCCC1=O ZINC000408054491 357892516 /nfs/dbraw/zinc/89/25/16/357892516.db2.gz MEJWSHIVRLOHBD-IJLUTSLNSA-N 0 0 295.383 0.357 10 0 CCAERN CC(=O)N1CCC[C@@](O)(C(=O)N(C)CC2(O)CCCC2)C1 ZINC000408056796 357892713 /nfs/dbraw/zinc/89/27/13/357892713.db2.gz LQXLIVDWXUOECM-HNNXBMFYSA-N 0 0 298.383 0.123 10 0 CCAERN CC(C)C[C@@]1(CO)CCCN1C(=O)[C@@H]1COCCN1C ZINC000408057014 357893221 /nfs/dbraw/zinc/89/32/21/357893221.db2.gz OORFQNAUZAERBF-DZGCQCFKSA-N 0 0 284.400 0.717 10 0 CCAERN CC(=O)N[C@H]1CCCN(c2ccc3nncn3n2)C1 ZINC000408004723 357862519 /nfs/dbraw/zinc/86/25/19/357862519.db2.gz ZBYZYJSWNRCSDL-JTQLQIEISA-N 0 0 260.301 0.229 10 0 CCAERN C[C@@H](NC(=O)[C@H]1CCO[C@H](C)C1)C(=O)N1CCOCC1 ZINC000408117507 357925061 /nfs/dbraw/zinc/92/50/61/357925061.db2.gz DCWYDENZZOVTAL-UTUOFQBUSA-N 0 0 284.356 0.165 10 0 CCAERN CC(=O)N1CCCC[C@@H]1C(=O)NC[C@@H](C)N1CCOCC1 ZINC000408063503 357897590 /nfs/dbraw/zinc/89/75/90/357897590.db2.gz QXVVWHXSUHSNMN-TZMCWYRMSA-N 0 0 297.399 0.224 10 0 CCAERN Cc1cnn(C)c1S(=O)(=O)N[C@H]1CCCn2ncnc21 ZINC000408067084 357899737 /nfs/dbraw/zinc/89/97/37/357899737.db2.gz APYXGDRGPBAZGN-VIFPVBQESA-N 0 0 296.356 0.133 10 0 CCAERN COC(=O)[C@H]1CN(C(=O)[C@@H]2CC=CC[C@H]2C)CCO1 ZINC000408069714 357901528 /nfs/dbraw/zinc/90/15/28/357901528.db2.gz GENCJLVXBAWDQP-IJLUTSLNSA-N 0 0 267.325 0.989 10 0 CCAERN C[C@@H]1C[C@H](C(=O)N[C@@H](CO)C(N)=O)CC(C)(C)C1 ZINC000408070971 357902552 /nfs/dbraw/zinc/90/25/52/357902552.db2.gz ITBQYLSEVLSUMJ-UTLUCORTSA-N 0 0 256.346 0.411 10 0 CCAERN COC(=O)[C@H]1CC[C@H]1C(=O)N1CCC(CO)CC1 ZINC000408077465 357906119 /nfs/dbraw/zinc/90/61/19/357906119.db2.gz XYZYRCITCPWGGT-MNOVXSKESA-N 0 0 255.314 0.417 10 0 CCAERN COC(=O)[C@H]1CC[C@H]1C(=O)NC1(C)CCOCC1 ZINC000408077077 357906538 /nfs/dbraw/zinc/90/65/38/357906538.db2.gz RUOMZVKNZYLJQG-ZJUUUORDSA-N 0 0 255.314 0.871 10 0 CCAERN C[C@H](CO)CNC(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000408086043 357912126 /nfs/dbraw/zinc/91/21/26/357912126.db2.gz FUERIEGCDQOWBS-LOWVWBTDSA-N 0 0 272.345 0.252 10 0 CCAERN C[C@H](C(=O)N1CCc2ccc(O)cc2C1)N1CCOCC1 ZINC000408089250 357914138 /nfs/dbraw/zinc/91/41/38/357914138.db2.gz JAICKIOMNINDBG-GFCCVEGCSA-N 0 0 290.363 0.998 10 0 CCAERN O=C(CCN1CCc2cncnc2C1)N1CCOCC1 ZINC000408090619 357914976 /nfs/dbraw/zinc/91/49/76/357914976.db2.gz DIJFTMVVBNIUDJ-UHFFFAOYSA-N 0 0 276.340 0.084 10 0 CCAERN Cc1nnc(CN2CCN(C[C@H](C)O)[C@H](C)C2)s1 ZINC000408097728 357918795 /nfs/dbraw/zinc/91/87/95/357918795.db2.gz MZKUKAFNASCJBI-ZJUUUORDSA-N 0 0 270.402 0.733 10 0 CCAERN CCS(=O)(=O)N1CCC[C@@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000408103608 357920570 /nfs/dbraw/zinc/92/05/70/357920570.db2.gz NBFUXYJBGDHZMS-MRVPVSSYSA-N 0 0 286.357 0.038 10 0 CCAERN Cc1nccc(N2CCOC[C@H]2c2ncnn2C)n1 ZINC000408106565 357921824 /nfs/dbraw/zinc/92/18/24/357921824.db2.gz LBTMWVIVJDCAGD-JTQLQIEISA-N 0 0 260.301 0.491 10 0 CCAERN COCC1(S(=O)(=O)N2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000408190587 357960471 /nfs/dbraw/zinc/96/04/71/357960471.db2.gz ATHCNGPHFWAOLR-SNVBAGLBSA-N 0 0 290.385 0.048 10 0 CCAERN CC[C@@H]1C[C@@H](C(=O)N2CCC[C@@H]2C(=O)N(C)C)CC(=O)N1 ZINC000408191367 357960995 /nfs/dbraw/zinc/96/09/95/357960995.db2.gz FNGFNMLYHAASPW-IJLUTSLNSA-N 0 0 295.383 0.370 10 0 CCAERN CC[C@@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C(N)=O)CC(=O)N1 ZINC000408192456 357961700 /nfs/dbraw/zinc/96/17/00/357961700.db2.gz MGBILRARNWAFIK-WHOHXGKFSA-N 0 0 295.383 0.452 10 0 CCAERN Cc1c([C@H](C)NS(=O)(=O)N2CC[C@H](C)C2)cnn1C ZINC000408133472 357932785 /nfs/dbraw/zinc/93/27/85/357932785.db2.gz OKHFGJRIDQBZCH-UWVGGRQHSA-N 0 0 286.401 0.966 10 0 CCAERN C[C@@H]1CCN(S(=O)(=O)N2CCC[C@@H](C)[C@H]2CO)C1 ZINC000408135701 357933584 /nfs/dbraw/zinc/93/35/84/357933584.db2.gz ZGWYSHGHJXXDKY-IJLUTSLNSA-N 0 0 276.402 0.666 10 0 CCAERN CC(=O)N[C@H]1CCCN(S(=O)(=O)N2CC[C@@H](C)C2)C1 ZINC000408135472 357933694 /nfs/dbraw/zinc/93/36/94/357933694.db2.gz XTYYXBNROLQWQY-PWSUYJOCSA-N 0 0 289.401 0.174 10 0 CCAERN CN(C)C(=O)CC(=O)N(C)C[C@@H]1CCCC[C@H]1O ZINC000408139391 357935928 /nfs/dbraw/zinc/93/59/28/357935928.db2.gz GNXHIGUGJQBJEE-WDEREUQCSA-N 0 0 256.346 0.474 10 0 CCAERN C[C@@H]1CCCN(C(=O)CCC(=O)N2CCOCC2)[C@H]1CO ZINC000408142887 357937410 /nfs/dbraw/zinc/93/74/10/357937410.db2.gz YQOCDBHGNSLMSS-OLZOCXBDSA-N 0 0 298.383 0.245 10 0 CCAERN CO[C@@H](C)C(=O)N1CCO[C@H](c2noc(C)n2)C1 ZINC000408153786 357942948 /nfs/dbraw/zinc/94/29/48/357942948.db2.gz LUZYACABSJSFJH-CBAPKCEASA-N 0 0 255.274 0.313 10 0 CCAERN C[C@@H]1CSCCN(C(=O)[C@@H]2CC[C@@H](C(N)=O)O2)C1 ZINC000408161860 357947588 /nfs/dbraw/zinc/94/75/88/357947588.db2.gz QKQIFVWXRWIJNW-GUBZILKMSA-N 0 0 272.370 0.231 10 0 CCAERN C[C@@H]1C[C@@H](C(=O)Nc2ccc(=O)n(C)c2)CC(=O)N1 ZINC000408162600 357948537 /nfs/dbraw/zinc/94/85/37/357948537.db2.gz XTCJTLVWZOHTGV-RKDXNWHRSA-N 0 0 263.297 0.239 10 0 CCAERN CCOC[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N[C@@H](C)C2)C1 ZINC000408165280 357949674 /nfs/dbraw/zinc/94/96/74/357949674.db2.gz LQCDMSKZLZLLTI-TUAOUCFPSA-N 0 0 268.357 0.786 10 0 CCAERN CSCC[C@H](O)C(=O)N1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000408185539 357957869 /nfs/dbraw/zinc/95/78/69/357957869.db2.gz DFKISAMLYUMWTD-ZDCRXTMVSA-N 0 0 259.371 0.330 10 0 CCAERN COC(=O)C1(C(=O)N2CCC[C@@](O)(C(F)(F)F)C2)CC1 ZINC000408261481 357997731 /nfs/dbraw/zinc/99/77/31/357997731.db2.gz PQLHIBINKMSLKC-NSHDSACASA-N 0 0 295.257 0.855 10 0 CCAERN Cc1cc(CNC(=O)N2CCC[C@]3(CNC(=O)C3)C2)on1 ZINC000408199515 357965848 /nfs/dbraw/zinc/96/58/48/357965848.db2.gz SWIBOLLPDRRLTI-AWEZNQCLSA-N 0 0 292.339 0.795 10 0 CCAERN Cc1ccc(NC(=O)[C@H]2CC(=O)N[C@H](C)C2)c(=O)[nH]1 ZINC000408201783 357966757 /nfs/dbraw/zinc/96/67/57/357966757.db2.gz KAXSMUPINOOWBJ-RKDXNWHRSA-N 0 0 263.297 0.949 10 0 CCAERN CC[C@@H]1C[C@H](C(=O)N2CCC[C@@H](OC)C2)CC(=O)N1 ZINC000408201963 357967596 /nfs/dbraw/zinc/96/75/96/357967596.db2.gz HAONEKXHDLGBKM-QJPTWQEYSA-N 0 0 268.357 0.929 10 0 CCAERN C[C@H](CCO)CNS(=O)(=O)NC1CCCC1 ZINC000408203902 357968084 /nfs/dbraw/zinc/96/80/84/357968084.db2.gz FLLVMAWLXJUZCB-SECBINFHSA-N 0 0 250.364 0.372 10 0 CCAERN CCCc1noc(CN2CC[S@@](=O)[C@H](C)C2)n1 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296.342 0.696 10 0 CCAERN CC(C)COC(=O)CN1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000245623928 352331923 /nfs/dbraw/zinc/33/19/23/352331923.db2.gz QFDHQFYIENFVEM-UONOGXRCSA-N 0 0 284.400 0.838 10 0 CCAERN C[C@H](c1cnn(C)c1)N(C)CC(=O)NC[C@H]1CCCO1 ZINC000246216231 352355380 /nfs/dbraw/zinc/35/53/80/352355380.db2.gz YASOUSDKOAZVCZ-DGCLKSJQSA-N 0 0 280.372 0.708 10 0 CCAERN C[C@H](C(=O)N[C@H]1Cc2ccccc2[C@H]1O)S(C)(=O)=O ZINC000245914864 352341659 /nfs/dbraw/zinc/34/16/59/352341659.db2.gz FDDKNHHBCDEUPK-JFUSQASVSA-N 0 0 283.349 0.194 10 0 CCAERN CCS(=O)(=O)NCCN1CCO[C@H]2CCCC[C@H]21 ZINC000246005148 352344533 /nfs/dbraw/zinc/34/45/33/352344533.db2.gz FTSJIMBGOGODKN-NEPJUHHUSA-N 0 0 276.402 0.569 10 0 CCAERN CCO[C@@H](C)C(=O)N1CCN(CCOC)[C@@H](CC)C1 ZINC000247129191 352400341 /nfs/dbraw/zinc/40/03/41/352400341.db2.gz OLSMSXARPUUKNE-STQMWFEESA-N 0 0 272.389 0.981 10 0 CCAERN CC[C@H](C)OCC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246839305 352385205 /nfs/dbraw/zinc/38/52/05/352385205.db2.gz VDOBPHKJCWQBIW-RDBSUJKOSA-N 0 0 284.400 0.981 10 0 CCAERN CC(C)[C@@H](C)NC(=O)CN1CC[C@@H](N2CCOCC2)C1 ZINC000246883149 352387139 /nfs/dbraw/zinc/38/71/39/352387139.db2.gz GRKNYHSBVQEMCJ-ZIAGYGMSSA-N 0 0 283.416 0.554 10 0 CCAERN COCCN1CCN(C(=O)N[C@H]2CCCOC2)C[C@H]1C ZINC000246929408 352389157 /nfs/dbraw/zinc/38/91/57/352389157.db2.gz BPQCYOVDDCNTMX-OLZOCXBDSA-N 0 0 285.388 0.528 10 0 CCAERN CCOCCN1CCN(S(=O)(=O)C2CC2)C[C@H]1C ZINC000246247825 352357238 /nfs/dbraw/zinc/35/72/38/352357238.db2.gz SEXICXDAPSSRPL-LLVKDONJSA-N 0 0 276.402 0.521 10 0 CCAERN CC[C@H](C)[C@H](O)CNC(=O)N[C@H]1CCc2ncnn2C1 ZINC000247438440 352414700 /nfs/dbraw/zinc/41/47/00/352414700.db2.gz XMMKQXVPPNDNFF-GARJFASQSA-N 0 0 281.360 0.299 10 0 CCAERN CCNS(=O)(=O)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000247667621 352423414 /nfs/dbraw/zinc/42/34/14/352423414.db2.gz QOVWIBCKVDPCMU-QWRGUYRKSA-N 0 0 272.374 0.620 10 0 CCAERN COCCN1CCN(C(=O)[C@H](C)OCC2CC2)C[C@@H]1C ZINC000247252235 352407115 /nfs/dbraw/zinc/40/71/15/352407115.db2.gz XUMSVYAYOMUCQO-STQMWFEESA-N 0 0 284.400 0.981 10 0 CCAERN C[C@@H]1CCCN1S(=O)(=O)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000248683612 352454194 /nfs/dbraw/zinc/45/41/94/352454194.db2.gz GNAVETIFVAENPV-SWHYSGLUSA-N 0 0 296.392 0.963 10 0 CCAERN C[C@@H]1COCC[C@@H]1C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000248757580 352457591 /nfs/dbraw/zinc/45/75/91/352457591.db2.gz INVRZRYRLYOSSW-MCIONIFRSA-N 0 0 293.367 0.783 10 0 CCAERN C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N(C)C ZINC000248802230 352460057 /nfs/dbraw/zinc/46/00/57/352460057.db2.gz AIJHUKNIJQRKSF-TUAOUCFPSA-N 0 0 268.357 0.881 10 0 CCAERN O=C(NC[C@@H]1CC[C@@H](O)C1)[C@H]1COCCN1CC1CCC1 ZINC000248928859 352467540 /nfs/dbraw/zinc/46/75/40/352467540.db2.gz ZLZQMXMVUHEEJE-RBSFLKMASA-N 0 0 296.411 0.765 10 0 CCAERN CCCCOC(=O)[C@@H](C)N1CCCNC(=O)[C@H]1C ZINC000248984748 352470760 /nfs/dbraw/zinc/47/07/60/352470760.db2.gz DXMBFHZKYDLLCY-GHMZBOCLSA-N 0 0 256.346 0.929 10 0 CCAERN C[C@H](NC(=O)N[C@H]1CCCCNC1=O)[C@H]1CCCO1 ZINC000249513396 352493780 /nfs/dbraw/zinc/49/37/80/352493780.db2.gz XHWDVILWUJKTNG-GARJFASQSA-N 0 0 269.345 0.522 10 0 CCAERN O=C(C[C@H]1CCN(C(=O)C2CCC2)C1)N1CCOCC1 ZINC000257184979 352550218 /nfs/dbraw/zinc/55/02/18/352550218.db2.gz VRSLZNGXCHXICP-GFCCVEGCSA-N 0 0 280.368 0.884 10 0 CCAERN C=C[C@H](C(=O)[O-])N1CC[C@@H](C(=O)OC(C)(C)C)C[C@H]1[NH3+] ZINC000257351072 352553011 /nfs/dbraw/zinc/55/30/11/352553011.db2.gz BZBBYUIFMBTWEB-MXWKQRLJSA-N 0 0 284.356 0.964 10 0 CCAERN CCC(=O)N[C@H]1CCCN(c2nccn(C)c2=O)C1 ZINC000266318858 352696811 /nfs/dbraw/zinc/69/68/11/352696811.db2.gz FGRXBJNEHVWMHI-JTQLQIEISA-N 0 0 264.329 0.275 10 0 CCAERN CC(C)[C@H](C)NC(=O)c1ccnc2c(C(N)=O)cnn21 ZINC000153929337 188112358 /nfs/dbraw/zinc/11/23/58/188112358.db2.gz SBDAXFDEHPPYTO-QMMMGPOBSA-N 0 0 275.312 0.603 10 0 CCAERN C[C@@H]1OCC[C@@H]1Nc1cc(N2CCOCC2)ncn1 ZINC000277774767 353264620 /nfs/dbraw/zinc/26/46/20/353264620.db2.gz LLFWKPOAIIWSID-QWRGUYRKSA-N 0 0 264.329 0.903 10 0 CCAERN CC(C)c1nc(C(=O)N2C[C@@H](C)O[C@H](C(N)=O)C2)cs1 ZINC000157507996 188322155 /nfs/dbraw/zinc/32/21/55/188322155.db2.gz QMAAHOKYNDCTDK-SCZZXKLOSA-N 0 0 297.380 0.981 10 0 CCAERN Cc1ccc(C(=O)N[C@H]2CCCC[C@H]2O)c(=O)[nH]1 ZINC000157398635 188314489 /nfs/dbraw/zinc/31/44/89/188314489.db2.gz JZQJITHUKRIRFL-WDEREUQCSA-N 0 0 250.298 0.717 10 0 CCAERN C[C@H](C(=O)N1C[C@@H](C)O[C@H](C(N)=O)C1)c1cccnc1 ZINC000157476270 188319529 /nfs/dbraw/zinc/31/95/29/188319529.db2.gz PDPSFPZPOZJDLY-SCVCMEIPSA-N 0 0 277.324 0.286 10 0 CCAERN Cc1[nH]ccc1C(=O)N1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000157557109 188325184 /nfs/dbraw/zinc/32/51/84/188325184.db2.gz LWYDOJBPEZSGGT-XCBNKYQSSA-N 0 0 251.286 0.038 10 0 CCAERN CCc1nnc(CN2CCN(c3cnn(C)c3)CC2)n1C ZINC000174916970 137670693 /nfs/dbraw/zinc/67/06/93/137670693.db2.gz KQHLMHVJEUGOGB-UHFFFAOYSA-N 0 0 289.387 0.433 10 0 CCAERN CCS(=O)(=O)N(C)CC(=O)N[C@H]1COc2ccccc21 ZINC000176267847 137676448 /nfs/dbraw/zinc/67/64/48/137676448.db2.gz 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0 273.086 0.501 10 0 CCAERN CC(=O)NCC(=O)Nc1ccnc(Br)c1 ZINC000306715053 354176716 /nfs/dbraw/zinc/17/67/16/354176716.db2.gz YADBOSPMLGJSIE-UHFFFAOYSA-N 0 0 272.102 0.919 10 0 CCAERN CN(C)S(=O)(=O)Nc1n[nH]cc1Br ZINC000307191026 354179246 /nfs/dbraw/zinc/17/92/46/354179246.db2.gz ANNKEDSUKOQIPE-UHFFFAOYSA-N 0 0 269.124 0.391 10 0 CCAERN CC(C)S(=O)(=O)n1cc(Br)c(N)n1 ZINC000307382049 354179863 /nfs/dbraw/zinc/17/98/63/354179863.db2.gz BGCICESMGGDUJT-UHFFFAOYSA-N 0 0 268.136 0.814 10 0 CCAERN Cc1cncc(S(N)(=O)=O)c1OC(F)(F)F ZINC000309526230 354186892 /nfs/dbraw/zinc/18/68/92/354186892.db2.gz ZYNUMPZRIVATNT-UHFFFAOYSA-N 0 0 256.205 0.936 10 0 CCAERN O=C(NCCOCC1CCCC1)[C@H]1CNC(=O)C1 ZINC000313489507 354214892 /nfs/dbraw/zinc/21/48/92/354214892.db2.gz WJARDSAOSHPAEB-LLVKDONJSA-N 0 0 254.330 0.446 10 0 CCAERN CCN1CCN(S(=O)(=O)C2CC2)C[C@@H]1c1ncc[nH]1 ZINC000328630890 354242242 /nfs/dbraw/zinc/24/22/42/354242242.db2.gz QJWPIVVMRUSOIT-LLVKDONJSA-N 0 0 284.385 0.581 10 0 CCAERN CN1CCN(C(=O)[C@@H]2CCCCO2)C[C@H]1c1ncc[nH]1 ZINC000328629737 354242382 /nfs/dbraw/zinc/24/23/82/354242382.db2.gz PCQFPPIPIRRCTO-RYUDHWBXSA-N 0 0 278.356 0.794 10 0 CCAERN CN1CCO[C@H](CN(CC(N)=O)C(=O)C2CC=CC2)C1 ZINC000328638557 354243099 /nfs/dbraw/zinc/24/30/99/354243099.db2.gz PDUWRLQUAGQDEZ-LBPRGKRZSA-N 0 0 281.356 0.647 10 0 CCAERN Cc1noc([C@H]2C[C@@H](O)CN2CC(=O)N2CCCCC2)n1 ZINC000328646190 354245003 /nfs/dbraw/zinc/24/50/03/354245003.db2.gz ZZTFAUDRAYMBAE-VXGBXAGGSA-N 0 0 294.355 0.498 10 0 CCAERN C[C@@H]1CC[C@H](C(=O)N2CCOC[C@H]2c2nc[nH]n2)O1 ZINC000328921688 354250357 /nfs/dbraw/zinc/25/03/57/354250357.db2.gz UEIJKVQSVMFYGT-KXUCPTDWSA-N 0 0 266.301 0.272 10 0 CCAERN C[C@@H]1CC[C@H](C(=O)N2CCOC[C@@H]2[C@H]2CCC[C@H]2O)O1 ZINC000329142566 354253546 /nfs/dbraw/zinc/25/35/46/354253546.db2.gz VBPAEACYCHXJAE-DHGKCCLASA-N 0 0 283.368 0.942 10 0 CCAERN C[C@H]([C@H]1CCCO1)N1C(=O)[C@H]2COCCN2C1=O ZINC000329365716 354255750 /nfs/dbraw/zinc/25/57/50/354255750.db2.gz 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/nfs/dbraw/zinc/26/94/80/354269480.db2.gz FOJRHWZONIVCRH-DMDPSCGWSA-N 0 0 279.340 0.481 10 0 CCAERN CN1CCO[C@@H]2CN(C(=O)c3ccccc3O)C[C@H]21 ZINC000408410176 283012148 /nfs/dbraw/zinc/01/21/48/283012148.db2.gz KWTZZAGYCUCOAU-DGCLKSJQSA-N 0 0 262.309 0.547 10 0 CCAERN CN1CCO[C@H]2CCN(C(=O)Nc3ccon3)C[C@@H]21 ZINC000284792180 283026136 /nfs/dbraw/zinc/02/61/36/283026136.db2.gz MJFLKMYVKAKEOB-UWVGGRQHSA-N 0 0 266.301 0.611 10 0 CCAERN C[C@@H]1CCN(C(=O)N[C@H]2CCC(=O)NC23CCC3)[C@@H]1CO ZINC000332734089 354731705 /nfs/dbraw/zinc/73/17/05/354731705.db2.gz YXTAAJDBVQNNIZ-UTUOFQBUSA-N 0 0 295.383 0.600 10 0 CCAERN CCC[C@H]1C[C@@H]1NC(=O)[C@@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000332813509 354735373 /nfs/dbraw/zinc/73/53/73/354735373.db2.gz QPBGWWKLKIMTPG-FIQHERPVSA-N 0 0 268.357 0.927 10 0 CCAERN C[C@H]1OCC[C@H]1NC(=O)N(C)Cc1cnc(N(C)C)nc1 ZINC000332915350 354739489 /nfs/dbraw/zinc/73/94/89/354739489.db2.gz WIEXODIVRAFBPY-ZYHUDNBSSA-N 0 0 293.371 0.861 10 0 CCAERN 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278.356 0.971 10 0 CCAERN Cn1ncnc1[C@@H]1COCCN1C(=O)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000328889177 303100949 /nfs/dbraw/zinc/10/09/49/303100949.db2.gz QQMOEAUFAJJIKN-YFKTTZPYSA-N 0 0 292.339 0.140 10 0 CCAERN NC(=O)[C@H]1COCCN1S(=O)(=O)CC1CCC1 ZINC000329299596 303231499 /nfs/dbraw/zinc/23/14/99/303231499.db2.gz UYZBVDBXLMSXHN-SECBINFHSA-N 0 0 262.331 0.352 10 0 CCAERN NC(=O)CC[C@@H]1CCCN(C(=O)[C@H]2CCCCC(=O)N2)C1 ZINC000193998839 303247805 /nfs/dbraw/zinc/24/78/05/303247805.db2.gz UMVURMMROVQGLQ-NWDGAFQWSA-N 0 0 295.383 0.549 10 0 CCAERN NC(=O)CSCC(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000113992580 303254208 /nfs/dbraw/zinc/25/42/08/303254208.db2.gz MUEJLCONMOYUDA-JTQLQIEISA-N 0 0 282.369 0.682 10 0 CCAERN NC(=O)N1CCC[C@H]1C(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000408303805 303265237 /nfs/dbraw/zinc/26/52/37/303265237.db2.gz SXUXKXGAGNRTOE-SRVKXCTJSA-N 0 0 281.356 0.700 10 0 CCAERN O=C(N1CCC[C@H]1Cn1ccnn1)N1CCOCC1 ZINC000328905798 303678598 /nfs/dbraw/zinc/67/85/98/303678598.db2.gz BCBNSLWIAMJWLO-NSHDSACASA-N 0 0 265.317 0.195 10 0 CCAERN O=C(NC1CC1)[C@H]1CCCN1C(=O)[C@@H]1CCCCC(=O)N1 ZINC000193831220 303731125 /nfs/dbraw/zinc/73/11/25/303731125.db2.gz TZIUHJKTTWVAAX-NWDGAFQWSA-N 0 0 293.367 0.315 10 0 CCAERN O=C(C[C@H]1CCCO1)N[C@@H]1CCC(=O)NC12CCC2 ZINC000332712259 327646014 /nfs/dbraw/zinc/64/60/14/327646014.db2.gz BRUBEUKKXHKENE-GHMZBOCLSA-N 0 0 266.341 0.873 10 0 CCAERN O=C(C[C@H]1CCCO1)N[C@H]1CCC(=O)NC12CCC2 ZINC000332712264 327646083 /nfs/dbraw/zinc/64/60/83/327646083.db2.gz BRUBEUKKXHKENE-MNOVXSKESA-N 0 0 266.341 0.873 10 0 CCAERN O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N1CCO[C@@H](CO)C1 ZINC000332745826 327648408 /nfs/dbraw/zinc/64/84/08/327648408.db2.gz JKFACMXNWYQLOF-XQHKEYJVSA-N 0 0 296.367 0.347 10 0 CCAERN C[C@H]1CC(CNC(=O)N2C[C@@H]3COC[C@H](C2)O3)C[C@H](C)O1 ZINC000332743329 327648757 /nfs/dbraw/zinc/64/87/57/327648757.db2.gz NXAGORRGZIYCRX-AUZPSNTRSA-N 0 0 298.383 0.999 10 0 CCAERN CCOCCS(=O)(=O)N1CCS[C@@H](C)C1 ZINC000171711625 327758072 /nfs/dbraw/zinc/75/80/72/327758072.db2.gz VVFNBXFZTAPCNB-VIFPVBQESA-N 0 0 253.389 0.790 10 0 CCAERN CCCc1nc(=NC[C@H]2C[NH2+]CCCO2)s[n-]1 ZINC000390166034 328965986 /nfs/dbraw/zinc/96/59/86/328965986.db2.gz BIVNXTAKDWRSKQ-SECBINFHSA-N 0 0 256.375 0.703 10 0 CCAERN Cn1ncc(Br)c1CN[C@@H]1C[C@H]1CO ZINC000379580506 330136250 /nfs/dbraw/zinc/13/62/50/330136250.db2.gz YZECVEGTWFZOAI-POYBYMJQSA-N 0 0 260.135 0.653 10 0 CCAERN C[C@@H]1C(=O)NCCCN1C(=O)N[C@@H]1CCOC(C)(C)C1 ZINC000191520234 330145871 /nfs/dbraw/zinc/14/58/71/330145871.db2.gz OYBGLKKRRZFWGK-GHMZBOCLSA-N 0 0 283.372 0.864 10 0 CCAERN CCOC(=O)[C@@H](N)[C@H](O)c1cncc(Br)c1 ZINC000125006632 330381642 /nfs/dbraw/zinc/38/16/42/330381642.db2.gz ZJVUXGNZIKBHFM-DTWKUNHWSA-N 0 0 289.129 0.768 10 0 CCAERN O=C([N-]Cc1nnc([C@H]2CCC[NH2+]C2)[nH]1)C(F)(F)F ZINC000536950314 330382216 /nfs/dbraw/zinc/38/22/16/330382216.db2.gz GGUYGHRBKSNSBL-LURJTMIESA-N 0 0 277.250 0.450 10 0 CCAERN O=S1(=O)CCC(O)(Cc2nc(C3CC3)no2)CC1 ZINC000536952454 330382560 /nfs/dbraw/zinc/38/25/60/330382560.db2.gz CLNJSXICCUZHBB-UHFFFAOYSA-N 0 0 272.326 0.429 10 0 CCAERN Cc1cnn(CCNC(=O)Nc2nncs2)c1 ZINC000172216909 335098024 /nfs/dbraw/zinc/09/80/24/335098024.db2.gz SMKZVQPYFMFCCA-UHFFFAOYSA-N 0 0 252.303 0.865 10 0 CCAERN CCOCCN1CCN(C(=O)CSC)C[C@@H]1C ZINC000172219936 335098093 /nfs/dbraw/zinc/09/80/93/335098093.db2.gz ADEYEYRMYLHMJS-NSHDSACASA-N 0 0 260.403 0.919 10 0 CCAERN CC(C)c1nccnc1NC[C@H](C)S(C)(=O)=O ZINC000580527408 335102320 /nfs/dbraw/zinc/10/23/20/335102320.db2.gz PIEWRICNBMHRIF-VIFPVBQESA-N 0 0 257.359 0.867 10 0 CCAERN C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCC[C@H](O)[C@H]1C ZINC000384765378 336130819 /nfs/dbraw/zinc/13/08/19/336130819.db2.gz BAVHYGWBGHCBCR-AXFHLTTASA-N 0 0 270.373 0.909 10 0 CCAERN COCC(=O)[C@]1(NC(=O)OC(C)(C)C)CCOC1 ZINC000405899096 545092373 /nfs/dbraw/zinc/09/23/73/545092373.db2.gz QMKCPQHGYMKNNE-LBPRGKRZSA-N 0 0 259.302 0.886 10 0 CCAERN C[C@H](O)CN1C(=O)C(=O)N(C2CCCCC2)C1=O ZINC000193083165 534072908 /nfs/dbraw/zinc/07/29/08/534072908.db2.gz ZKUABRVQOIMGPE-QMMMGPOBSA-N 0 0 254.286 0.491 10 0 CCAERN COC(=O)c1cncnc1N1CCCC[C@H](CO)C1 ZINC000367326326 534312281 /nfs/dbraw/zinc/31/22/81/534312281.db2.gz JOPJKBDTPAJZNW-JTQLQIEISA-N 0 0 265.313 0.862 10 0 CCAERN C/C=C/C[S@@](=O)CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000155830620 518545678 /nfs/dbraw/zinc/54/56/78/518545678.db2.gz PATLPDXMGJXSNK-PWTGNJNFSA-N 0 0 272.370 0.035 10 0 CCAERN CC(C)(C)C(=O)NCC(=O)N1C[C@H](F)C[C@@H]1CO ZINC000366663731 518572787 /nfs/dbraw/zinc/57/27/87/518572787.db2.gz NUCLZFURBXDVFR-RKDXNWHRSA-N 0 0 260.309 0.080 10 0 CCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N[C@@H]1CCC[C@H](C)C1 ZINC000365430806 519635161 /nfs/dbraw/zinc/63/51/61/519635161.db2.gz GFMMHLPIDVLVOX-ZBAXXZLZSA-N 0 0 268.357 0.663 10 0 CCAERN CC(=O)NCCNC(=O)N1CCO[C@H](c2ccc(C)o2)C1 ZINC000157554371 519664745 /nfs/dbraw/zinc/66/47/45/519664745.db2.gz OUEAOZUZDJOIOJ-ZDUSSCGKSA-N 0 0 295.339 0.807 10 0 CCAERN CC(C)[C@@H](C[NH+](C)C)n1c(=O)[nH]nc1SCC(=O)[O-] ZINC000061592013 519794158 /nfs/dbraw/zinc/79/41/58/519794158.db2.gz FWAJKRDRKUYIII-MRVPVSSYSA-N 0 0 288.373 0.507 10 0 CCAERN CC(C)c1n[nH]c(C(=O)NCCCS(C)(=O)=O)c1N ZINC000050321252 519830543 /nfs/dbraw/zinc/83/05/43/519830543.db2.gz VOTYKUNRZHWFGH-UHFFFAOYSA-N 0 0 288.373 0.280 10 0 CCAERN CCCNC(=O)CNC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000157260200 519878261 /nfs/dbraw/zinc/87/82/61/519878261.db2.gz PMWQARHODLKDBG-SWLSCSKDSA-N 0 0 297.399 0.849 10 0 CCAERN CCCNC(=O)[C@@H](C)NC(=O)c1ccnc(NC)c1 ZINC000050790720 519888313 /nfs/dbraw/zinc/88/83/13/519888313.db2.gz LEPKRXWWPOQWAC-SECBINFHSA-N 0 0 264.329 0.768 10 0 CCAERN CC(C)n1c(N)nnc1S[C@@H]1CC(=O)N(C)C1=O ZINC000062801333 519921893 /nfs/dbraw/zinc/92/18/93/519921893.db2.gz ZGHUOPHOKATFDX-ZCFIWIBFSA-N 0 0 269.330 0.291 10 0 CCAERN CC(C)n1nnnc1CN1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000152315387 520141442 /nfs/dbraw/zinc/14/14/42/520141442.db2.gz AIAOCKDDKGGTIB-NWDGAFQWSA-N 0 0 281.360 0.634 10 0 CCAERN CCNc1cc(C(=O)NCCCS(C)(=O)=O)ccn1 ZINC000050776759 520261202 /nfs/dbraw/zinc/26/12/02/520261202.db2.gz RAZNSMCLCFLONL-UHFFFAOYSA-N 0 0 285.369 0.678 10 0 CCAERN CCCCN1CCOC[C@H]1C(=O)Nc1ccc(=O)n(C)c1 ZINC000184298448 520597661 /nfs/dbraw/zinc/59/76/61/520597661.db2.gz YKZVPWZXLLABNX-ZDUSSCGKSA-N 0 0 293.367 0.825 10 0 CCAERN CCC[C@@]1(C(=O)[O-])CCN(C(=O)NCC[NH+](C)C)C1 ZINC000062922529 520945313 /nfs/dbraw/zinc/94/53/13/520945313.db2.gz SSYXPJMPHYZAIB-CYBMUJFWSA-N 0 0 271.361 0.834 10 0 CCAERN CCOC(=O)[C@@H](C)Nc1nc(Cl)nc(OC)n1 ZINC000061514401 521030296 /nfs/dbraw/zinc/03/02/96/521030296.db2.gz JULVXTYKUKTFBH-RXMQYKEDSA-N 0 0 260.681 0.897 10 0 CCAERN CCC[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)OC(C)(C)C ZINC000155417296 521137455 /nfs/dbraw/zinc/13/74/55/521137455.db2.gz PZECTDMTDBWVFS-UWVGGRQHSA-N 0 0 284.356 0.892 10 0 CCAERN CCC[C@H](NC(=O)[C@H](N)CC(N)=O)c1cccs1 ZINC000049546990 521140228 /nfs/dbraw/zinc/14/02/28/521140228.db2.gz IQDMEBQXFBGLCN-BDAKNGLRSA-N 0 0 269.370 0.908 10 0 CCAERN CCCc1[nH]nc(C(=O)N2CCCOCC2)c1N ZINC000061913981 521326756 /nfs/dbraw/zinc/32/67/56/521326756.db2.gz CINWCUPTHCWMPU-UHFFFAOYSA-N 0 0 252.318 0.807 10 0 CCAERN CCCCn1c(N)c(N[C@H]2C[C@H]2C)c(=O)[nH]c1=O ZINC000052290169 521369893 /nfs/dbraw/zinc/36/98/93/521369893.db2.gz HXAZGQAKKCJCHH-SFYZADRCSA-N 0 0 252.318 0.739 10 0 CCAERN O=C(CNC(=O)N[C@@H]1CCCC[C@H]1CO)N1CCCC1 ZINC000175912249 534571052 /nfs/dbraw/zinc/57/10/52/534571052.db2.gz UGTKKQFQXFUDNX-NWDGAFQWSA-N 0 0 283.372 0.459 10 0 CCAERN CCCn1nc(C(=O)N2CC[C@H](CO)C2)ccc1=O ZINC000051885291 521664468 /nfs/dbraw/zinc/66/44/68/521664468.db2.gz RCDRZBLRCSABRO-JTQLQIEISA-N 0 0 265.313 0.108 10 0 CCAERN CCNC(=O)[C@@H](C)NC(=O)c1ccc(NCC)nn1 ZINC000050791040 521743480 /nfs/dbraw/zinc/74/34/80/521743480.db2.gz ZWJJBABIUAUJGG-MRVPVSSYSA-N 0 0 265.317 0.163 10 0 CCAERN CNC(=O)[C@H]1CCCN1C(=O)Nc1cc(C)on1 ZINC000049516501 521750126 /nfs/dbraw/zinc/75/01/26/521750126.db2.gz ZRMULULSNRFGHH-MRVPVSSYSA-N 0 0 252.274 0.725 10 0 CCAERN COCC[C@@H](NC(=O)C1([NH3+])CCCCC1)C(=O)[O-] ZINC000052786404 521833687 /nfs/dbraw/zinc/83/36/87/521833687.db2.gz ITHXTFWEEYENNR-SECBINFHSA-N 0 0 258.318 0.254 10 0 CCAERN C[NH+](C)C[C@@H]1CCCN1Cc1cc(C(=O)[O-])no1 ZINC000061645255 521837054 /nfs/dbraw/zinc/83/70/54/521837054.db2.gz HAIMRIXIXDRBNI-VIFPVBQESA-N 0 0 253.302 0.899 10 0 CCAERN CCc1nnc([C@H]2CN(C(=O)Nc3ccon3)CCO2)[nH]1 ZINC000183629916 522139707 /nfs/dbraw/zinc/13/97/07/522139707.db2.gz VRSKGJMVKVWNDF-MRVPVSSYSA-N 0 0 292.299 0.961 10 0 CCAERN CN[C@@](C)(CSc1nnc2ccccn21)C(=O)OC ZINC000061408584 522413817 /nfs/dbraw/zinc/41/38/17/522413817.db2.gz GWTPSONSEMLCFE-LBPRGKRZSA-N 0 0 280.353 0.973 10 0 CCAERN COC[C@@H]1CN(C(=O)NCCn2cc(C)cn2)C[C@H](C)O1 ZINC000187554374 522495643 /nfs/dbraw/zinc/49/56/43/522495643.db2.gz XSDFROWSNYFWHE-STQMWFEESA-N 0 0 296.371 0.637 10 0 CCAERN O=C([C@H]1COCCN1)N1CCC(c2nccs2)CC1 ZINC000361710225 534640386 /nfs/dbraw/zinc/64/03/86/534640386.db2.gz GHPLJSOSMSBLRJ-LLVKDONJSA-N 0 0 281.381 0.838 10 0 CCAERN CNc1ccccc1S(=O)(=O)NC[C@H]1COCCO1 ZINC000050662566 522662481 /nfs/dbraw/zinc/66/24/81/522662481.db2.gz AQLLYNBUNVWSCP-JTQLQIEISA-N 0 0 286.353 0.422 10 0 CCAERN CNc1ccnc(C(=O)N[C@@H](C)c2nncn2C)c1 ZINC000050772202 522668997 /nfs/dbraw/zinc/66/89/97/522668997.db2.gz NHXYRIRFBVGTRD-QMMMGPOBSA-N 0 0 260.301 0.743 10 0 CCAERN CNc1ncc(S(=O)(=O)NCC(F)(F)F)cn1 ZINC000050634390 522702258 /nfs/dbraw/zinc/70/22/58/522702258.db2.gz YFJTTZQTRPLTLK-UHFFFAOYSA-N 0 0 270.236 0.359 10 0 CCAERN CCc1nnc(CN2C[C@@H](C)[C@H](C(=O)OC)C2)n1C ZINC000370560862 522737937 /nfs/dbraw/zinc/73/79/37/522737937.db2.gz GCLHSEFESNQQAB-NXEZZACHSA-N 0 0 266.345 0.618 10 0 CCAERN CC(=O)N[C@H]1CCCN(S(=O)(=O)CCC2CC2)C1 ZINC000120770879 534663122 /nfs/dbraw/zinc/66/31/22/534663122.db2.gz IGEIWCSVRBNQIY-LBPRGKRZSA-N 0 0 274.386 0.717 10 0 CCAERN CC[C@@H](OC(=O)c1ccc(OC)c(N)c1)C(N)=O ZINC000061678564 523016693 /nfs/dbraw/zinc/01/66/93/523016693.db2.gz WBPCACMBYLICCQ-SECBINFHSA-N 0 0 252.270 0.698 10 0 CCAERN COc1cc2nc(-c3nc(N)n[nH]3)[nH]c2cc1OC 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CS[C@@H](C)C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111076104 186351791 /nfs/dbraw/zinc/35/17/91/186351791.db2.gz AOPXLISAZCADMJ-WDEREUQCSA-N 0 0 269.370 0.862 10 0 CCAERN COC(=O)N[C@@H](C(=O)N1CC(O)C1)C1CCCC1 ZINC000167741577 350814048 /nfs/dbraw/zinc/81/40/48/350814048.db2.gz KNAZFBYFVQYAAT-SNVBAGLBSA-N 0 0 256.302 0.104 10 0 CCAERN O=C(c1ccc(F)c(F)c1)N1CCO[C@H](CO)C1 ZINC000168372314 350824833 /nfs/dbraw/zinc/82/48/33/350824833.db2.gz IDSYUHJLSQXCNL-VIFPVBQESA-N 0 0 257.236 0.798 10 0 CCAERN CCOC(=O)C[C@H]1NC(=O)CN(Cc2ccccc2)C1=O ZINC000165852340 350793729 /nfs/dbraw/zinc/79/37/29/350793729.db2.gz USOHYINOTCUTMU-GFCCVEGCSA-N 0 0 290.319 0.467 10 0 CCAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cccc(F)c1 ZINC000166834991 350802485 /nfs/dbraw/zinc/80/24/85/350802485.db2.gz MLKWHVDNQKHORK-LLVKDONJSA-N 0 0 293.298 0.501 10 0 CCAERN NS(=O)(=O)Nc1cccc(Br)c1O ZINC000167502413 350810578 /nfs/dbraw/zinc/81/05/78/350810578.db2.gz DNYCVCGTTNJNOJ-UHFFFAOYSA-N 0 0 267.104 0.770 10 0 CCAERN O=C(CCc1cccs1)N1CCO[C@H](CO)C1 ZINC000168360583 350824233 /nfs/dbraw/zinc/82/42/33/350824233.db2.gz AYEVETWZUOZAQK-JTQLQIEISA-N 0 0 255.339 0.900 10 0 CCAERN O=C(NC[C@H](O)c1ccc(Cl)cc1)[C@H]1CNC(=O)C1 ZINC000170851390 350867568 /nfs/dbraw/zinc/86/75/68/350867568.db2.gz QKDYZCCKKHHMPN-KOLCDFICSA-N 0 0 282.727 0.626 10 0 CCAERN O=C(NC[C@H](O)c1ccc(Cl)cc1)[C@@H]1CNC(=O)C1 ZINC000170851394 350868039 /nfs/dbraw/zinc/86/80/39/350868039.db2.gz QKDYZCCKKHHMPN-ONGXEEELSA-N 0 0 282.727 0.626 10 0 CCAERN C[C@@H]1CN(C(=O)C(=O)NC2CCCC2)C[C@@H](C)O1 ZINC000170331363 350843672 /nfs/dbraw/zinc/84/36/72/350843672.db2.gz NXTFKDVLNWEDSU-NXEZZACHSA-N 0 0 254.330 0.681 10 0 CCAERN Cn1c(CN2CCN(c3cccnn3)CC2)nnc1C1CC1 ZINC000170648704 350849909 /nfs/dbraw/zinc/84/99/09/350849909.db2.gz QFIKLNCTVRXMBU-UHFFFAOYSA-N 0 0 299.382 0.805 10 0 CCAERN O=C([C@@H]1CNC(=O)C1)N1CCO[C@@H](c2cccc(F)c2)C1 ZINC000170780244 350860432 /nfs/dbraw/zinc/86/04/32/350860432.db2.gz SJVWEZIXLASIFU-WCQYABFASA-N 0 0 292.310 0.862 10 0 CCAERN O=C(c1ccc2c(c1)CCO2)N1CCO[C@@H](CO)C1 ZINC000168374428 350825221 /nfs/dbraw/zinc/82/52/21/350825221.db2.gz UHAHOJAWCGLHNH-GFCCVEGCSA-N 0 0 263.293 0.455 10 0 CCAERN COC[C@@H](C)C(=O)NCCNC(=O)c1ccccc1F ZINC000171458727 350910444 /nfs/dbraw/zinc/91/04/44/350910444.db2.gz JHKYHOQVEXOAIL-SNVBAGLBSA-N 0 0 282.315 0.954 10 0 CCAERN CCOC(=O)NCC(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000171486538 350912459 /nfs/dbraw/zinc/91/24/59/350912459.db2.gz OMKKTSLZTXZLEW-LLVKDONJSA-N 0 0 280.328 0.830 10 0 CCAERN CC[C@@H](C)NC(=O)CN1CCCN(c2cccnn2)CC1 ZINC000171547365 350914647 /nfs/dbraw/zinc/91/46/47/350914647.db2.gz SKEQJDRZRCDCCZ-CYBMUJFWSA-N 0 0 291.399 0.903 10 0 CCAERN CN(Cc1ccc(O)cc1)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000171706061 350930155 /nfs/dbraw/zinc/93/01/55/350930155.db2.gz QERAXYRXYQLSQT-CQSZACIVSA-N 0 0 293.367 0.864 10 0 CCAERN CC(=O)NCCCNC(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000170894369 350871513 /nfs/dbraw/zinc/87/15/13/350871513.db2.gz QITXFLFOTGRPOA-ZDUSSCGKSA-N 0 0 293.371 0.793 10 0 CCAERN C[C@@H]1C[C@@H]1NC(=O)[C@@H]1CCCCN1S(C)(=O)=O ZINC000171059767 350881258 /nfs/dbraw/zinc/88/12/58/350881258.db2.gz BECUOHHKDHRPLO-UTLUCORTSA-N 0 0 260.359 0.325 10 0 CCAERN O=C([C@H]1COCCO1)N1CCO[C@@H](c2nccs2)C1 ZINC000171854697 350938367 /nfs/dbraw/zinc/93/83/67/350938367.db2.gz GDDYPDFCURAROY-NXEZZACHSA-N 0 0 284.337 0.458 10 0 CCAERN COC(=O)N[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2)C(C)C ZINC000172098523 350958372 /nfs/dbraw/zinc/95/83/72/350958372.db2.gz VIJNXCSEHQCQGJ-CHWFTXMASA-N 0 0 270.329 0.803 10 0 CCAERN CS(=O)(=O)NCCC(=O)N1CCC[C@@H]1c1ccco1 ZINC000172295354 350973476 /nfs/dbraw/zinc/97/34/76/350973476.db2.gz VZTFNUHEUDBJPH-SNVBAGLBSA-N 0 0 286.353 0.882 10 0 CCAERN C[C@@H](NC(=O)N1CCC(CS(N)(=O)=O)CC1)C1CC1 ZINC000172338614 350977349 /nfs/dbraw/zinc/97/73/49/350977349.db2.gz LFQAOAABBGJXLG-SECBINFHSA-N 0 0 289.401 0.495 10 0 CCAERN CCOCCC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000172759410 351008494 /nfs/dbraw/zinc/00/84/94/351008494.db2.gz IKISKQBIIXZBMZ-GFCCVEGCSA-N 0 0 256.346 0.346 10 0 CCAERN CCNS(=O)(=O)N1CCN(CCOCC)[C@H](CC)C1 ZINC000172459071 350985369 /nfs/dbraw/zinc/98/53/69/350985369.db2.gz YFSPHPSDIVHOSI-GFCCVEGCSA-N 0 0 293.433 0.273 10 0 CCAERN CCNS(=O)(=O)N1CCC(c2ccnn2C)CC1 ZINC000172604936 350997494 /nfs/dbraw/zinc/99/74/94/350997494.db2.gz VIHARMFOIIGMRU-UHFFFAOYSA-N 0 0 272.374 0.454 10 0 CCAERN Cc1ncc(C(=O)N[C@@H]2CCc3ncnn3C2)s1 ZINC000172002365 350950434 /nfs/dbraw/zinc/95/04/34/350950434.db2.gz ICLNFEFPIWDJNX-MRVPVSSYSA-N 0 0 263.326 0.788 10 0 CCAERN Cc1cc(C)n(CC(=O)N2CC[C@@H](N3CCOCC3)C2)n1 ZINC000172744719 351007131 /nfs/dbraw/zinc/00/71/31/351007131.db2.gz PDJLWKMTLKHGJH-CQSZACIVSA-N 0 0 292.383 0.433 10 0 CCAERN CCCNC(=O)CCCC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112646711 186512461 /nfs/dbraw/zinc/51/24/61/186512461.db2.gz SGUHXZWKBLZLRS-LLVKDONJSA-N 0 0 293.371 0.406 10 0 CCAERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)CC(=O)N(C)C ZINC000173259695 351032699 /nfs/dbraw/zinc/03/26/99/351032699.db2.gz OXXRRRSKBBUFAP-VIFPVBQESA-N 0 0 280.372 0.562 10 0 CCAERN CC(=O)NCC(=O)N1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000173445666 351040184 /nfs/dbraw/zinc/04/01/84/351040184.db2.gz MOZTUGYPKSCWFT-SNVBAGLBSA-N 0 0 280.328 0.993 10 0 CCAERN O=C(NCc1nccs1)N1CC[C@H](N2CCOCC2)C1 ZINC000173788707 351054617 /nfs/dbraw/zinc/05/46/17/351054617.db2.gz SDPWZPFRFOYWIU-NSHDSACASA-N 0 0 296.396 0.759 10 0 CCAERN C[C@@H]1CN(C(=O)c2ccc(=O)[nH]c2)C[C@H]1N1CCOCC1 ZINC000173803471 351056137 /nfs/dbraw/zinc/05/61/37/351056137.db2.gz VYTNDJQUKFJPHU-DGCLKSJQSA-N 0 0 291.351 0.580 10 0 CCAERN CCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000173829838 351056731 /nfs/dbraw/zinc/05/67/31/351056731.db2.gz OWJNDPVZZPRSHT-JHJVBQTASA-N 0 0 270.373 0.591 10 0 CCAERN CCCCCNC(=O)CN1CC[C@H](N2CCOCC2)C1 ZINC000173928325 351061837 /nfs/dbraw/zinc/06/18/37/351061837.db2.gz MUXZEKYEIFGCSS-AWEZNQCLSA-N 0 0 283.416 0.699 10 0 CCAERN CC[C@H](C)NC(=O)CN1CC[C@H](N2CCOCC2)C1 ZINC000173924978 351062162 /nfs/dbraw/zinc/06/21/62/351062162.db2.gz XNVZJMJSNFBRAN-STQMWFEESA-N 0 0 269.389 0.308 10 0 CCAERN CN(CC1CC1)C(=O)CN1CCN(Cc2ccon2)CC1 ZINC000173936601 351063630 /nfs/dbraw/zinc/06/36/30/351063630.db2.gz OIWDNENTNNGITA-UHFFFAOYSA-N 0 0 292.383 0.661 10 0 CCAERN O=C(CN1CC[C@@H](N2CCOCC2)C1)NCc1ccco1 ZINC000173955614 351064623 /nfs/dbraw/zinc/06/46/23/351064623.db2.gz FRLVIJOXUHXPKZ-CYBMUJFWSA-N 0 0 293.367 0.302 10 0 CCAERN CCOC(=O)C1(C(=O)NC[C@@H]2CN(C3CC3)CCO2)CC1 ZINC000174868788 351107645 /nfs/dbraw/zinc/10/76/45/351107645.db2.gz SPDOLNJXGLTZLQ-GFCCVEGCSA-N 0 0 296.367 0.309 10 0 CCAERN CN(C)C(=O)CCNC(=O)c1ncncc1Cl ZINC000175150829 351119874 /nfs/dbraw/zinc/11/98/74/351119874.db2.gz QADNJAILGUOPJE-UHFFFAOYSA-N 0 0 256.693 0.338 10 0 CCAERN CNS(=O)(=O)CC(=O)N1CC[C@H](OCCC(C)C)C1 ZINC000175226187 351123378 /nfs/dbraw/zinc/12/33/78/351123378.db2.gz XJYFMFANPXHGRM-NSHDSACASA-N 0 0 292.401 0.199 10 0 CCAERN CCOCCCNC(=O)N1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000175294225 351124491 /nfs/dbraw/zinc/12/44/91/351124491.db2.gz AEOGGTBUGDFPLZ-NSHDSACASA-N 0 0 297.359 0.623 10 0 CCAERN Cc1ccc(C(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)cn1 ZINC000174337908 351080824 /nfs/dbraw/zinc/08/08/24/351080824.db2.gz VEVUPBJHIVKEPH-QWHCGFSZSA-N 0 0 277.368 0.917 10 0 CCAERN C[C@@H](CNC(=O)[C@H]1CNC(=O)C1)Oc1ccc(F)cc1 ZINC000174374343 351081899 /nfs/dbraw/zinc/08/18/99/351081899.db2.gz JYHFDHLLKQUROH-VHSXEESVSA-N 0 0 280.299 0.845 10 0 CCAERN CCCCNC(=O)[C@@H]1CCCN(C(=O)CC(=O)N(C)C)C1 ZINC000174402722 351084846 /nfs/dbraw/zinc/08/48/46/351084846.db2.gz VCMUSIMNYWGMFU-GFCCVEGCSA-N 0 0 297.399 0.620 10 0 CCAERN CN(C)C(=O)CC(=O)N1CCN(Cc2ccncc2)CC1 ZINC000174447496 351085925 /nfs/dbraw/zinc/08/59/25/351085925.db2.gz OHLAZBRGAFORMN-UHFFFAOYSA-N 0 0 290.367 0.204 10 0 CCAERN C[C@@H](COCc1ccccc1)NC(=O)CCNC(N)=O ZINC000174588786 351094270 /nfs/dbraw/zinc/09/42/70/351094270.db2.gz AFTNSUJMOMJKBF-NSHDSACASA-N 0 0 279.340 0.766 10 0 CCAERN C[C@H]1C[C@H]1c1cc(NC(=O)CC(=O)N(C)C)n[nH]1 ZINC000176145251 351158611 /nfs/dbraw/zinc/15/86/11/351158611.db2.gz XGGVBOWRJFIIRO-JGVFFNPUSA-N 0 0 250.302 0.950 10 0 CCAERN C[C@H]([C@H](C)NC(=O)c1ncncc1Cl)N1CCOCC1 ZINC000176263560 351166182 /nfs/dbraw/zinc/16/61/82/351166182.db2.gz OGBAUNDVBGXFSI-VHSXEESVSA-N 0 0 298.774 0.969 10 0 CCAERN CC[C@H]1CN(C(=O)NC[C@@H]2CN(C)CCO2)CCS1 ZINC000176433866 351174352 /nfs/dbraw/zinc/17/43/52/351174352.db2.gz XCAOKMCDUFOLCE-NEPJUHHUSA-N 0 0 287.429 0.854 10 0 CCAERN COCCOCCN1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000175652156 351138786 /nfs/dbraw/zinc/13/87/86/351138786.db2.gz YIGOSWAOTZSCOD-AWEZNQCLSA-N 0 0 283.372 0.555 10 0 CCAERN CC(C)OCCS(=O)(=O)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000178709165 351240929 /nfs/dbraw/zinc/24/09/29/351240929.db2.gz CEMGHCUIHUXHFJ-KBPBESRZSA-N 0 0 299.392 0.989 10 0 CCAERN O=C1NCC[C@H]1Nc1cc(-n2cnnn2)ccc1F ZINC000179045441 351257637 /nfs/dbraw/zinc/25/76/37/351257637.db2.gz CTBCODYCNUVFMN-SECBINFHSA-N 0 0 262.248 0.102 10 0 CCAERN CCn1cc(C(=O)C(=O)N2CCCN(C3CC3)CC2)cn1 ZINC000179215866 351262045 /nfs/dbraw/zinc/26/20/45/351262045.db2.gz DJJVBRGUHLJSOF-UHFFFAOYSA-N 0 0 290.367 0.782 10 0 CCAERN CCCn1cc(C(=O)N2CC[C@@H](N3CCOCC3)C2)cn1 ZINC000181095281 351303594 /nfs/dbraw/zinc/30/35/94/351303594.db2.gz ZHPGVTZLINERGA-CQSZACIVSA-N 0 0 292.383 0.840 10 0 CCAERN COCCC[C@H](C)C(=O)NC[C@H](C)N1CCOCC1 ZINC000181337942 351313905 /nfs/dbraw/zinc/31/39/05/351313905.db2.gz QKLNTJMTXNMARH-STQMWFEESA-N 0 0 272.389 0.886 10 0 CCAERN COCCCC(=O)N1CCNC[C@H]1c1cnn(C)c1 ZINC000181363586 351314594 /nfs/dbraw/zinc/31/45/94/351314594.db2.gz TWSQQEBSSWCVHC-LBPRGKRZSA-N 0 0 266.345 0.320 10 0 CCAERN CC[C@H](C)OCC(=O)N1CCNC[C@@H]1c1cnn(C)c1 ZINC000181436576 351319168 /nfs/dbraw/zinc/31/91/68/351319168.db2.gz TUDPCXYNFRAZCW-WCQYABFASA-N 0 0 280.372 0.708 10 0 CCAERN Cc1ccc([C@H]2CN(CCCC(=O)NC(N)=O)CCO2)o1 ZINC000179502838 351269886 /nfs/dbraw/zinc/26/98/86/351269886.db2.gz VRKBSKCQHSFZHO-GFCCVEGCSA-N 0 0 295.339 0.936 10 0 CCAERN CCc1nnc(CN2CCO[C@@H](Cn3cc(C)cn3)C2)[nH]1 ZINC000181692382 351332943 /nfs/dbraw/zinc/33/29/43/351332943.db2.gz DACRKZMUDZGCKO-GFCCVEGCSA-N 0 0 290.371 0.773 10 0 CCAERN Cc1c(C(=O)NC[C@H]2CN(C)CCO2)cnn1C(C)C ZINC000180072902 351279942 /nfs/dbraw/zinc/27/99/42/351279942.db2.gz CJNRMCSCTUBJHX-LBPRGKRZSA-N 0 0 280.372 0.833 10 0 CCAERN O=C(CNC(=O)NCCc1ccccc1O)NCC1CC1 ZINC000183799935 351391499 /nfs/dbraw/zinc/39/14/99/351391499.db2.gz GQIJQULANROXJV-UHFFFAOYSA-N 0 0 291.351 0.760 10 0 CCAERN COC(=O)N(C)CCCC(=O)NCCn1cc(C)cn1 ZINC000117811739 186757409 /nfs/dbraw/zinc/75/74/09/186757409.db2.gz FVJFUNJAKWLSRJ-UHFFFAOYSA-N 0 0 282.344 0.786 10 0 CCAERN Cc1cnn(CCNC(=O)NCc2cnn(C)c2)c1 ZINC000118065053 186763581 /nfs/dbraw/zinc/76/35/81/186763581.db2.gz IBSKXCXABBSONR-UHFFFAOYSA-N 0 0 262.317 0.424 10 0 CCAERN Cn1cnn(CC(=O)N2CCC[C@@H]2c2ccco2)c1=O ZINC000181972293 351343164 /nfs/dbraw/zinc/34/31/64/351343164.db2.gz WMBXAFASTBAHDL-SNVBAGLBSA-N 0 0 276.296 0.539 10 0 CCAERN CN1CCO[C@@H](CNC(=O)C[C@@](C)(O)c2ccccc2)C1 ZINC000182257051 351353776 /nfs/dbraw/zinc/35/37/76/351353776.db2.gz BQWQJWFQQHBHRL-GOEBONIOSA-N 0 0 292.379 0.731 10 0 CCAERN CC[C@@H](O)CN1CCN(C(=O)NCC2CCOCC2)CC1 ZINC000184999962 351428463 /nfs/dbraw/zinc/42/84/63/351428463.db2.gz JAOHICAEWVEPFY-CQSZACIVSA-N 0 0 299.415 0.511 10 0 CCAERN CC(C)[C@](C)(O)CN1CCN(c2cnn(C)c2)C(=O)C1 ZINC000185018055 351430136 /nfs/dbraw/zinc/43/01/36/351430136.db2.gz UUKZIZJMCFMZPM-CQSZACIVSA-N 0 0 280.372 0.476 10 0 CCAERN CCc1nc2n(n1)C[C@@H](NC(=O)N1CC[C@@](C)(O)C1)CC2 ZINC000185440159 351446647 /nfs/dbraw/zinc/44/66/47/351446647.db2.gz SSHAWEAVROLNFI-IINYFYTJSA-N 0 0 293.371 0.322 10 0 CCAERN CCc1nccn1[C@@H]1CCCN(C(=O)CC(=O)NC)C1 ZINC000185443386 351446725 /nfs/dbraw/zinc/44/67/25/351446725.db2.gz WQURHHUPWQLDJR-LLVKDONJSA-N 0 0 278.356 0.745 10 0 CCAERN CNC(=O)CC(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000184562548 351414950 /nfs/dbraw/zinc/41/49/50/351414950.db2.gz MIOOYIZVCROHDK-LLVKDONJSA-N 0 0 263.297 0.197 10 0 CCAERN C[C@@H](CC(=O)N(C)C1CC(O)C1)N1CCCCC1=O ZINC000328713774 295824102 /nfs/dbraw/zinc/82/41/02/295824102.db2.gz CTQFYUBGDDVKBW-UNXYVOJBSA-N 0 0 268.357 0.759 10 0 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OAIRFGIPILHRJJ-NXEZZACHSA-N 0 0 270.295 0.562 10 0 CCAERN C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)[O-] ZINC000211678480 567220086 /nfs/dbraw/zinc/22/00/86/567220086.db2.gz WOJFLMVNEDOOGI-DTWKUNHWSA-N 0 0 258.318 0.916 10 0 CCAERN COC(=O)[C@]1(Cl)OC12CCS(=O)(=O)CC2 ZINC000234590103 567852386 /nfs/dbraw/zinc/85/23/86/567852386.db2.gz SACNYYCAODRUCT-QMMMGPOBSA-N 0 0 254.691 0.072 10 0 CCAERN [NH3+][C@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000013523891 571703043 /nfs/dbraw/zinc/70/30/43/571703043.db2.gz VNYDHJARLHNEGA-VXGBXAGGSA-N 0 0 278.308 0.338 10 0 endogenous,in-man CCAERN CC(C)[C@@H](NC(=O)[C@H]([NH3+])Cc1ccc(O)cc1)C(=O)[O-] ZINC000014825020 571725395 /nfs/dbraw/zinc/72/53/95/571725395.db2.gz OYOQKMOWUDVWCR-VXGBXAGGSA-N 0 0 280.324 0.487 10 0 endogenous,in-man CCAERN COC(=O)[C@H](CC(=O)[C@H]1CCOC1)C(=O)C1CC1 ZINC000725248170 581114654 /nfs/dbraw/zinc/11/46/54/581114654.db2.gz MKRZMSSZDGDUSD-VHSXEESVSA-N 0 0 254.282 0.750 10 0 CCAERN COc1c(CNCC(C)(C)S(C)(=O)=O)c(C)nn1C ZINC000135705269 581166288 /nfs/dbraw/zinc/16/62/88/581166288.db2.gz LRWAZXMZYLKBAU-UHFFFAOYSA-N 0 0 289.401 0.650 10 0 CCAERN COC(=O)[C@H]1CN(C(=O)Cc2cnn(C)c2)C[C@H]1C ZINC000755546284 581645423 /nfs/dbraw/zinc/64/54/23/581645423.db2.gz URBFNBPNGHSDLB-KOLCDFICSA-N 0 0 265.313 0.230 10 0 CCAERN C[C@@H](C(=O)N1CC(C)(O)C1)N1C(=O)c2ccccc2C1=O ZINC000170191895 581666745 /nfs/dbraw/zinc/66/67/45/581666745.db2.gz UGZJUIWADGSCKC-VIFPVBQESA-N 0 0 288.303 0.264 10 0 CCAERN NC(=O)[C@H]1CCN1c1c(N)cncc1Br ZINC000757151558 581681254 /nfs/dbraw/zinc/68/12/54/581681254.db2.gz QAMJHRRFDNIYPJ-SSDOTTSWSA-N 0 0 271.118 0.490 10 0 CCAERN CC(C)(C)OC(=O)N1CCN[C@H](c2n[nH]cc2N)C1 ZINC000757170457 581684618 /nfs/dbraw/zinc/68/46/18/581684618.db2.gz GMLANXCDPVKMNH-VIFPVBQESA-N 0 0 267.333 0.873 10 0 CCAERN CC(C)(C)OC(=O)N1CC([C@H]2C[NH2+]C[C@H]2C(=O)[O-])C1 ZINC000757186829 581685245 /nfs/dbraw/zinc/68/52/45/581685245.db2.gz GERWOZRCHLZARX-NXEZZACHSA-N 0 0 270.329 0.774 10 0 CCAERN Cn1ncc([C@@H]2C[NH2+]C[C@H]2C(=O)[O-])c1Br ZINC000757191321 581685835 /nfs/dbraw/zinc/68/58/35/581685835.db2.gz JZZVYYICFQPHEY-CAHLUQPWSA-N 0 0 274.118 0.570 10 0 CCAERN CC(C)(CO)c1ccc(S(=O)(=O)N2CCNCC2)cc1 ZINC000757192856 581686166 /nfs/dbraw/zinc/68/61/66/581686166.db2.gz OZUPUOVDLAECCW-UHFFFAOYSA-N 0 0 298.408 0.550 10 0 CCAERN CC[NH+]1CCN(c2ncc(Cl)c(C(=O)[O-])n2)CC1 ZINC000757189095 581697917 /nfs/dbraw/zinc/69/79/17/581697917.db2.gz MBEYFFUJXGYERG-UHFFFAOYSA-N 0 0 270.720 0.970 10 0 CCAERN Cn1nnc([C@H]2C[NH2+]C[C@H]2C(=O)[O-])c1C(F)(F)F ZINC000757187376 581697955 /nfs/dbraw/zinc/69/79/55/581697955.db2.gz DNWLIVJJRDMHHC-CRCLSJGQSA-N 0 0 264.207 0.222 10 0 CCAERN C[C@@H](NC(N)=O)C(=O)Nc1cncc(Br)c1 ZINC000156084241 581873072 /nfs/dbraw/zinc/87/30/72/581873072.db2.gz KHNRXMVBBRNLGJ-RXMQYKEDSA-N 0 0 287.117 0.839 10 0 CCAERN O=C(CCc1cccs1)N1CCOC[C@H]1CO ZINC000168511884 623768321 /nfs/dbraw/zinc/76/83/21/623768321.db2.gz BRUMGQNQVDKSFB-SNVBAGLBSA-N 0 0 255.339 0.900 10 0 CCAERN COc1cccc(NC(=O)C[C@H]2CS(=O)(=O)CCN2)c1 ZINC000126462439 617303700 /nfs/dbraw/zinc/30/37/00/617303700.db2.gz UVWNBZWMSWGTQK-NSHDSACASA-N 0 0 298.364 0.410 10 0 CCAERN C/C=C/[C@H](O)C(=O)N1CC[C@@H](n2cc(C3CC3)nn2)C1 ZINC000912940922 613197010 /nfs/dbraw/zinc/19/70/10/613197010.db2.gz KOHLLHPVDMEUIP-KTTDLOKESA-N 0 0 276.340 0.866 10 0 CCAERN C/C=C/[C@H](O)C(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000900477226 613201365 /nfs/dbraw/zinc/20/13/65/613201365.db2.gz CDDDAIGWQTZTKE-NNOMMRTBSA-N 0 0 278.356 0.770 10 0 CCAERN CC(C)c1nc2c(n1C)CCN(C(=O)[C@@H](O)C(C)(C)O)C2 ZINC000900677575 614323161 /nfs/dbraw/zinc/32/31/61/614323161.db2.gz FHSSNWKZJGFZSO-GFCCVEGCSA-N 0 0 295.383 0.560 10 0 CCAERN CC1(C)CCN(C(=O)C[C@H]2CS(=O)(=O)CCN2)CC1 ZINC000125066079 614539999 /nfs/dbraw/zinc/53/99/99/614539999.db2.gz CZWKEZVUNOEVHU-NSHDSACASA-N 0 0 288.413 0.412 10 0 CCAERN CCN(C(=O)n1ccnc1)[C@@H]1CCS(=O)(=O)C1 ZINC000129782372 614806104 /nfs/dbraw/zinc/80/61/04/614806104.db2.gz OKDISLODIGKORI-SECBINFHSA-N 0 0 257.315 0.360 10 0 CCAERN CCC[C@H](C)NC(=O)C[C@@H]1CS(=O)(=O)CCN1 ZINC000124885958 615039027 /nfs/dbraw/zinc/03/90/27/615039027.db2.gz UJJQMHPTTSXWQP-VHSXEESVSA-N 0 0 262.375 0.068 10 0 CCAERN CCN1CCO[C@@H](CNC(=O)c2cc(N)nc(Cl)c2)C1 ZINC000134692774 615175038 /nfs/dbraw/zinc/17/50/38/615175038.db2.gz DRBWJYWZGMEIQC-JTQLQIEISA-N 0 0 298.774 0.768 10 0 CCAERN CCOC(=O)N1CCN(C(=O)[C@@H](C)COC)CC1 ZINC000103356901 615229933 /nfs/dbraw/zinc/22/99/33/615229933.db2.gz MDTZLOGUAPRNFD-JTQLQIEISA-N 0 0 258.318 0.570 10 0 CCAERN CC[C@@H](CO)N1CCO[C@@H](CN(C)c2cccnn2)C1 ZINC000929741922 615489199 /nfs/dbraw/zinc/48/91/99/615489199.db2.gz ZGSXZYXDWGVSTK-STQMWFEESA-N 0 0 280.372 0.385 10 0 CCAERN CCc1nc[nH]c1C(=O)N1CCOC[C@@H]1c1nc[nH]n1 ZINC000908087107 615762970 /nfs/dbraw/zinc/76/29/70/615762970.db2.gz JUGHQFMJRRCXIZ-SECBINFHSA-N 0 0 276.300 0.304 10 0 CCAERN CC[C@H](O)[C@@H](C)C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000907506968 615831109 /nfs/dbraw/zinc/83/11/09/615831109.db2.gz NHBASXXSOMRVMB-SKDRFNHKSA-N 0 0 268.357 0.521 10 0 CCAERN COCC(C)(C)CC(=O)N[C@@H]1C[C@@H](O)[C@@H]1n1cccn1 ZINC000909189428 616710205 /nfs/dbraw/zinc/71/02/05/616710205.db2.gz YVJPUGZASGPSMK-NQBHXWOUSA-N 0 0 281.356 0.736 10 0 CCAERN COCCn1cc(C(=O)N2[C@H](C)COC[C@@H]2C)nn1 ZINC000893929776 616719683 /nfs/dbraw/zinc/71/96/83/616719683.db2.gz XAKIGOLUDCOQGY-AOOOYVTPSA-N 0 0 268.317 0.174 10 0 CCAERN CNC(=O)[C@@]1(COC)CCCN1C(=O)c1cncnc1C ZINC000888075967 616837078 /nfs/dbraw/zinc/83/70/78/616837078.db2.gz IAVIRYCHQRAQJI-AWEZNQCLSA-N 0 0 292.339 0.152 10 0 CCAERN COC[C@H](C)C(=O)NCc1nc(C(F)(F)F)no1 ZINC000889895034 617048999 /nfs/dbraw/zinc/04/89/99/617048999.db2.gz SPVAHQQXIMBLJT-YFKPBYRVSA-N 0 0 267.207 0.987 10 0 CCAERN CO[C@H]1CCCCN(CC(=O)NCc2cccn2C)C1=O ZINC000886088867 617093970 /nfs/dbraw/zinc/09/39/70/617093970.db2.gz NIOBFFHEEWQRAE-ZDUSSCGKSA-N 0 0 293.367 0.669 10 0 CCAERN CO[C@H]1CCN(Cc2nc(C(=O)N3CCCO3)co2)C1 ZINC000888095733 617101041 /nfs/dbraw/zinc/10/10/41/617101041.db2.gz XHBHFBKFKJRURJ-JTQLQIEISA-N 0 0 281.312 0.673 10 0 CCAERN CO[C@]1(C(=O)NCc2nc(C)c(C)[nH]2)CCOC1 ZINC000896910940 617129668 /nfs/dbraw/zinc/12/96/68/617129668.db2.gz HPFJDTMUIHPGAM-GFCCVEGCSA-N 0 0 253.302 0.448 10 0 CCAERN CO[C@@H]1CCCCN(CC(=O)Nc2ccnnc2C)C1=O ZINC000886088309 617171345 /nfs/dbraw/zinc/17/13/45/617171345.db2.gz GKZYYETVEVDGON-GFCCVEGCSA-N 0 0 292.339 0.751 10 0 CCAERN CO[C@@H]1CCCCN(CC(=O)N(C)Cc2ncc[nH]2)C1=O ZINC000886075536 617171385 /nfs/dbraw/zinc/17/13/85/617171385.db2.gz NREDCGJPWYZRGO-LLVKDONJSA-N 0 0 294.355 0.396 10 0 CCAERN CCN1C[C@H](C(=O)N2C[C@H](C)[C@@H](C(=O)OC)C2)CC1=O ZINC000228301806 625380833 /nfs/dbraw/zinc/38/08/33/625380833.db2.gz JFLYKXNAFDUAQL-AXFHLTTASA-N 0 0 282.340 0.122 10 0 CCAERN CCOC(=O)NCC(=O)N[C@@H]1CCCC[C@H]1CO ZINC000181975644 625381456 /nfs/dbraw/zinc/38/14/56/625381456.db2.gz OUAAEFOEEGSKKJ-VHSXEESVSA-N 0 0 258.318 0.400 10 0 CCAERN CCOC(CN1CCO[C@@H](Cn2cccn2)C1)OCC ZINC000184968280 625412232 /nfs/dbraw/zinc/41/22/32/625412232.db2.gz UIRHBFKDOJZMRF-CYBMUJFWSA-N 0 0 283.372 0.983 10 0 CCAERN Cc1n[nH]nc1C(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000188669178 625446750 /nfs/dbraw/zinc/44/67/50/625446750.db2.gz MUUDLKHPOOAZSJ-ZJUUUORDSA-N 0 0 250.302 0.897 10 0 CCAERN Cc1noc([C@@H]2COCCN2CC2OCCO2)n1 ZINC000161127608 622628526 /nfs/dbraw/zinc/62/85/26/622628526.db2.gz QQPWVBXLYXGGTQ-VIFPVBQESA-N 0 0 255.274 0.124 10 0 CCAERN O=c1n(CCC2OCCCO2)nc2cnccn21 ZINC000091466393 622827106 /nfs/dbraw/zinc/82/71/06/622827106.db2.gz KSBVBWFSUKFDAK-UHFFFAOYSA-N 0 0 250.258 0.044 10 0 CCAERN O=C(c1ccc2nccnc2c1)N1CCOC[C@@H]1CO ZINC000168605604 623046618 /nfs/dbraw/zinc/04/66/18/623046618.db2.gz INRBOURCIJTWAQ-NSHDSACASA-N 0 0 273.292 0.463 10 0 CCAERN O=C(/C=C/c1ccc(O)cc1)N1CCOC[C@@H]1CO ZINC000168616713 623047473 /nfs/dbraw/zinc/04/74/73/623047473.db2.gz UYWSYKUOPYQHSK-UXONFWTHSA-N 0 0 263.293 0.625 10 0 CCAERN CO[C@H]1C[C@@H](CO)N(Cc2ncc(Cl)n2C)C1 ZINC000310201374 623254405 /nfs/dbraw/zinc/25/44/05/623254405.db2.gz BVKKDLDFNDEXTJ-IUCAKERBSA-N 0 0 259.737 0.655 10 0 CCAERN O=S(=O)(c1cccs1)N1CCOC[C@@H]1CO ZINC000159193079 623513137 /nfs/dbraw/zinc/51/31/37/623513137.db2.gz CPSYLYVZMUWRLE-QMMMGPOBSA-N 0 0 263.340 0.130 10 0 CCAERN CCN1CCO[C@@H](CNc2cc(NC)ncn2)C1 ZINC000166345840 623706647 /nfs/dbraw/zinc/70/66/47/623706647.db2.gz QDERMHMNUYKPFR-JTQLQIEISA-N 0 0 251.334 0.651 10 0 CCAERN Cc1cc(N)nc(N2C[C@H](C)[C@H](N3CCOCC3)C2)n1 ZINC000892854303 623854383 /nfs/dbraw/zinc/85/43/83/623854383.db2.gz BLDLKQGUNRRKJT-CMPLNLGQSA-N 0 0 277.372 0.524 10 0 CCAERN O=C(NC[C@H]1CCC2(CCOCC2)[C@H]1O)N1CCOCC1 ZINC000332731169 625696249 /nfs/dbraw/zinc/69/62/49/625696249.db2.gz ZZZKOOMPBVWXKT-OLZOCXBDSA-N 0 0 298.383 0.596 10 0 CCAERN C[C@@H](NC(=O)[C@@H]1C[C@H](C)CC(=O)N1)[C@H]1CCCO1 ZINC000332722436 625698787 /nfs/dbraw/zinc/69/87/87/625698787.db2.gz HWAVSWQSPQPQES-ZRUFSTJUSA-N 0 0 254.330 0.585 10 0 CCAERN Cc1ccc([C@H](C)NC(=O)NCCS(C)(=O)=O)o1 ZINC000049518228 624463333 /nfs/dbraw/zinc/46/33/33/624463333.db2.gz WSGVGMBGIMYZSM-VIFPVBQESA-N 0 0 274.342 0.993 10 0 CCAERN O=C1NCCC[C@H]1Nc1cnc(Br)cn1 ZINC000306266868 624609743 /nfs/dbraw/zinc/60/97/43/624609743.db2.gz GQEFRTBSQBALRU-ZCFIWIBFSA-N 0 0 271.118 0.930 10 0 CCAERN C[C@@H](O)C1CCN(Cn2c3cnccc3n(C)c2=O)CC1 ZINC000160450612 624782121 /nfs/dbraw/zinc/78/21/21/624782121.db2.gz FBITVHVBEKQDJY-LLVKDONJSA-N 0 0 290.367 0.785 10 0 CCAERN COC(=O)NCCCC(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000077148909 624807923 /nfs/dbraw/zinc/80/79/23/624807923.db2.gz DOCIGMZFAPDPQA-QWRGUYRKSA-N 0 0 272.345 0.790 10 0 CCAERN O=C(N[C@@H]1CCCNC1=O)c1cccc(Cl)n1 ZINC000051074258 624863193 /nfs/dbraw/zinc/86/31/93/624863193.db2.gz TYLWHDDVYOLVTK-SSDOTTSWSA-N 0 0 253.689 0.743 10 0 CCAERN CCN1CCO[C@H](CNc2cc(=O)[nH]c(C)n2)C1 ZINC000162902932 630975280 /nfs/dbraw/zinc/97/52/80/630975280.db2.gz UTNBATKHWDXMJG-SNVBAGLBSA-N 0 0 252.318 0.623 10 0 CCAERN Cc1cc([C@H]2CCCN(C(=O)C3(O)CCOCC3)C2)[nH]n1 ZINC000328669334 631347894 /nfs/dbraw/zinc/34/78/94/631347894.db2.gz FQRISFWSWYLQOY-LBPRGKRZSA-N 0 0 293.367 0.966 10 0 CCAERN 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285069735 /nfs/dbraw/zinc/06/97/35/285069735.db2.gz OMXRIZWSSDWQDF-WYUUTHIRSA-N 0 0 292.401 0.043 10 0 CCAERN C[C@@H](NC(=O)N1CC[C@@H]([C@H](C)O)C1)[C@@H]1CCCO1 ZINC000248452135 285065512 /nfs/dbraw/zinc/06/55/12/285065512.db2.gz KCOVEKNKCIBWPY-KXNHARMFSA-N 0 0 256.346 0.966 10 0 CCAERN C[C@@H](C(=O)N1CCS[C@@H](C)C1)N1CCN(C)CC1 ZINC000335316468 208175789 /nfs/dbraw/zinc/17/57/89/208175789.db2.gz MYXCQKRDPBMYOH-RYUDHWBXSA-N 0 0 271.430 0.586 10 0 CCAERN CNC(=O)[C@H](NC(=O)[C@@H]1CCOC[C@H]1C)C(C)C ZINC000248848265 285084643 /nfs/dbraw/zinc/08/46/43/285084643.db2.gz IQVOQSMMIWJXJG-GMTAPVOTSA-N 0 0 256.346 0.546 10 0 CCAERN C[C@H](CN1CCOCC1)NC(=O)N[C@H](C)[C@H]1CCCO1 ZINC000248864942 285086193 /nfs/dbraw/zinc/08/61/93/285086193.db2.gz GGQNGRGRFFTJFQ-JHJVBQTASA-N 0 0 285.388 0.574 10 0 CCAERN C[C@@H](NC(=O)N1CC[C@@H](C)[C@@H]1CO)[C@H]1CCCO1 ZINC000249030889 285098283 /nfs/dbraw/zinc/09/82/83/285098283.db2.gz BGTUQKBCVHTSHT-WISYIIOYSA-N 0 0 256.346 0.966 10 0 CCAERN 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/nfs/dbraw/zinc/93/30/51/388933051.db2.gz JZMHODOMFKULSC-LLVKDONJSA-N 0 0 277.328 0.016 10 0 CCAERN C[C@H](CNC(=O)N1C[C@@H](C)O[C@H](C)C1)N1CCOCC1 ZINC000071932471 388959036 /nfs/dbraw/zinc/95/90/36/388959036.db2.gz ALGPIGDMYNZDLT-JHJVBQTASA-N 0 0 285.388 0.526 10 0 CCAERN C[C@H]1OCCC[C@@H]1C(=O)NCC1(CO)CCOCC1 ZINC000189683049 388967838 /nfs/dbraw/zinc/96/78/38/388967838.db2.gz WGLLGJUEMLSAOH-NEPJUHHUSA-N 0 0 271.357 0.707 10 0 CCAERN Cc1cnn(CCNC(=O)c2cc3c(cn2)nc[nH]c3=O)c1 ZINC000189662598 388968084 /nfs/dbraw/zinc/96/80/84/388968084.db2.gz LXCZHGIAPGTSSH-UHFFFAOYSA-N 0 0 298.306 0.253 10 0 CCAERN O[C@@H]1CN(c2ncnc3cc(F)c(F)cc32)C[C@H]1O ZINC000408390891 285330365 /nfs/dbraw/zinc/33/03/65/285330365.db2.gz AEYPBUFUIGTFKM-GHMZBOCLSA-N 0 0 267.235 0.450 10 0 CCAERN C[C@@H]1C(=O)NCCCN1C(=O)c1ccc([S@](C)=O)cc1 ZINC000188875412 388943795 /nfs/dbraw/zinc/94/37/95/388943795.db2.gz NBOPBUAQTMMUDY-SBKAZYGRSA-N 0 0 294.376 0.775 10 0 CCAERN CCOc1ncccc1CNC(=O)N1CC(NC(C)=O)C1 ZINC000189799695 388973260 /nfs/dbraw/zinc/97/32/60/388973260.db2.gz ZOJJALUWFQVXPX-UHFFFAOYSA-N 0 0 292.339 0.510 10 0 CCAERN CCC[C@@]1(C)C(=O)NCCN1C(=O)[C@@H](C)COC ZINC000189888196 388975810 /nfs/dbraw/zinc/97/58/10/388975810.db2.gz ASFGDKCQZVCRMR-GWCFXTLKSA-N 0 0 256.346 0.786 10 0 CCAERN Cc1nc(SCC(=O)N2[C@H](C)COC[C@H]2C)n[nH]1 ZINC000073923198 388980576 /nfs/dbraw/zinc/98/05/76/388980576.db2.gz GYFODSNVSJPZJC-HTQZYQBOSA-N 0 0 270.358 0.841 10 0 CCAERN CCS(=O)(=O)NCCN1[C@H](C)COC[C@@H]1C ZINC000077364832 388988621 /nfs/dbraw/zinc/98/86/21/388988621.db2.gz YEQGBVOGVGYLQX-AOOOYVTPSA-N 0 0 250.364 0.035 10 0 CCAERN Cc1cc(NC(=O)C(=O)N2C[C@H](C)O[C@@H](C)C2)n(C)n1 ZINC000077710344 388989172 /nfs/dbraw/zinc/98/91/72/388989172.db2.gz UUVKABVPNFZERH-UWVGGRQHSA-N 0 0 280.328 0.303 10 0 CCAERN C[C@H]1OCCC[C@@H]1C(=O)NCCN1CCOCC1 ZINC000190384539 388990386 /nfs/dbraw/zinc/99/03/86/388990386.db2.gz GBZSTRDTLQGOOC-NEPJUHHUSA-N 0 0 256.346 0.250 10 0 CCAERN COc1c(CN2C[C@H](C)O[C@H](CO)C2)c(C)nn1C 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CALISGDCYFJDTD-KKFJDGPESA-N 0 0 265.313 0.233 10 0 CCAERN CS(=O)(=O)CCCn1nc(N)nc1Br ZINC000231801944 544860423 /nfs/dbraw/zinc/86/04/23/544860423.db2.gz IDVKWKZGWRGHOT-UHFFFAOYSA-N 0 0 283.151 0.058 10 0 CCAERN CC(C)CN1C[C@H](C(=O)N[C@H]2CCCC[C@H]2O)CC1=O ZINC000250606856 544924117 /nfs/dbraw/zinc/92/41/17/544924117.db2.gz WTVZPERULOFIGW-FRRDWIJNSA-N 0 0 282.384 0.911 10 0 CCAERN CO[C@@H]1C[C@@H](c2nc[nH]n2)N(C(=O)[C@@H]2CCCO[C@@H]2C)C1 ZINC000329035585 545020779 /nfs/dbraw/zinc/02/07/79/545020779.db2.gz RBWCHRFANARYGX-KKOKHZNYSA-N 0 0 294.355 0.908 10 0 CCAERN C[C@]12CCCN1C(=O)N([C@H]1CCCS(=O)(=O)C1)C2=O ZINC000329385945 545022257 /nfs/dbraw/zinc/02/22/57/545022257.db2.gz SFRXHUOHEDUVBA-JOYOIKCWSA-N 0 0 286.353 0.380 10 0 CCAERN C[C@H]1CN(C(=O)c2cn(C3CCOCC3)nn2)C[C@H](C)O1 ZINC000329853754 545026942 /nfs/dbraw/zinc/02/69/42/545026942.db2.gz SEFGKINOEHGZRM-QWRGUYRKSA-N 0 0 294.355 0.879 10 0 CCAERN Cn1ncc2c1nccc2NC[C@@H](O)CN1CCOCC1 ZINC000330238884 545030601 /nfs/dbraw/zinc/03/06/01/545030601.db2.gz AYNLDXQMJOESQO-LLVKDONJSA-N 0 0 291.355 0.073 10 0 CCAERN Cn1nccc1COCC(=O)NC[C@H]1CCC[C@H]1O ZINC000332748339 545032748 /nfs/dbraw/zinc/03/27/48/545032748.db2.gz GTSQZBLTQJWRFR-ZYHUDNBSSA-N 0 0 267.329 0.214 10 0 CCAERN CO[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCC(=O)N2)C1(C)C ZINC000332753810 545032912 /nfs/dbraw/zinc/03/29/12/545032912.db2.gz IRYPLKXUUIYLGB-IVZWLZJFSA-N 0 0 254.330 0.585 10 0 CCAERN C[C@@H]1OCC[C@H]1NC(=O)[C@H]1CCc2n[nH]nc2C1 ZINC000332781856 545033102 /nfs/dbraw/zinc/03/31/02/545033102.db2.gz VYQIIFUVCVSRBL-XHNCKOQMSA-N 0 0 250.302 0.203 10 0 CCAERN C[C@H]1OCC[C@@H]1NC(=O)N1CCc2nn(C)c(=O)cc2C1 ZINC000332780121 545033152 /nfs/dbraw/zinc/03/31/52/545033152.db2.gz UMNKYXGQOMQYRE-KOLCDFICSA-N 0 0 292.339 0.025 10 0 CCAERN O=C(N[C@H]1CCCC[C@@H]1CO)c1cnc2n[nH]nc2c1 ZINC000332891232 545036045 /nfs/dbraw/zinc/03/60/45/545036045.db2.gz FEKNBCSOJMMAGD-SCZZXKLOSA-N 0 0 275.312 0.634 10 0 CCAERN C[C@H](NC(=O)N=c1nc2n([n-]1)CCCC2)[C@H]1CCC[NH2+]C1 ZINC000333259729 545038915 /nfs/dbraw/zinc/03/89/15/545038915.db2.gz DSESJTZKBGRGCX-QWRGUYRKSA-N 0 0 292.387 0.546 10 0 CCAERN CCOCCN1CCN(C(=O)c2ccnn2C)C[C@@H]1C ZINC000117282476 276321990 /nfs/dbraw/zinc/32/19/90/276321990.db2.gz HRZMBZLDWHXLQR-LBPRGKRZSA-N 0 0 280.372 0.603 10 0 CCAERN CC(=O)N1CCN(C(=O)[C@H]2CC(=O)N[C@H](C)C2)C(C)(C)C1 ZINC000408203391 276991464 /nfs/dbraw/zinc/99/14/64/276991464.db2.gz QHJPKAHRXSZSRI-ZYHUDNBSSA-N 0 0 295.383 0.370 10 0 CCAERN CN1CCO[C@@H](C(=O)N2CCO[C@@H](c3nccs3)C2)C1 ZINC000245455259 277118133 /nfs/dbraw/zinc/11/81/33/277118133.db2.gz HZWKWRCCJBWEQS-GHMZBOCLSA-N 0 0 297.380 0.374 10 0 CCAERN COCCN1CCN(C(=O)[C@@H]2CC[C@@H](C)O2)C[C@H]1C ZINC000155328937 277224139 /nfs/dbraw/zinc/22/41/39/277224139.db2.gz RSWLSWIPKXBBSS-UPJWGTAASA-N 0 0 270.373 0.733 10 0 CCAERN CC(C)(C)[C@H]1OCC[C@@H]1CNC(=O)[C@@H]1CCC(=O)N1 ZINC000189055060 277262722 /nfs/dbraw/zinc/26/27/22/277262722.db2.gz NNERLBXHVXPKIV-SCVCMEIPSA-N 0 0 268.357 0.832 10 0 CCAERN C[C@@H]1CCN(c2nc3c(cnn3C)c(N)n2)C[C@@H]1O ZINC000302871357 277759445 /nfs/dbraw/zinc/75/94/45/277759445.db2.gz BWAMEMHKXOCCAZ-APPZFPTMSA-N 0 0 262.317 0.153 10 0 CCAERN CC(=O)N(C[C@H]1CCCN1C(=O)[C@H]1COCCO1)C1CC1 ZINC000408393116 277975173 /nfs/dbraw/zinc/97/51/73/277975173.db2.gz HBVRUBNQPWIZNM-ZIAGYGMSSA-N 0 0 296.367 0.404 10 0 CCAERN CC(=O)N1CSC[C@@H]1C(=O)N[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000251651212 278063592 /nfs/dbraw/zinc/06/35/92/278063592.db2.gz HNMDHYJUDKIBQB-IRCOFANPSA-N 0 0 284.381 0.592 10 0 CCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCOC[C@H]1CC(C)C ZINC000373036681 278068436 /nfs/dbraw/zinc/06/84/36/278068436.db2.gz RXKARHXQSCDCRP-HZSPNIEDSA-N 0 0 298.383 0.242 10 0 CCAERN CC(=O)NC1CN(C(=O)NC[C@H]2CCO[C@H]2C(C)C)C1 ZINC000408253901 278090336 /nfs/dbraw/zinc/09/03/36/278090336.db2.gz AZXQQWSZXLIGKD-YPMHNXCESA-N 0 0 283.372 0.577 10 0 CCAERN CC(C)n1nnnc1CN1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000246726349 278155154 /nfs/dbraw/zinc/15/51/54/278155154.db2.gz AIAOCKDDKGGTIB-VXGBXAGGSA-N 0 0 281.360 0.634 10 0 CCAERN C[C@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)c1ccc(O)cc1 ZINC000042439402 278380738 /nfs/dbraw/zinc/38/07/38/278380738.db2.gz RXGUOROEAXBEEE-UWVGGRQHSA-N 0 0 298.364 0.667 10 0 CCAERN CC(C)(C)OC(=O)[C@]1(C(=O)[O-])CCC(=O)C[C@@H]1[NH3+] ZINC000095082647 278457427 /nfs/dbraw/zinc/45/74/27/278457427.db2.gz RUXIPRNXCUSURX-QPUJVOFHSA-N 0 0 257.286 0.479 10 0 CCAERN C[C@]1(F)CNCCN(S(=O)(=O)c2ccco2)C1 ZINC000335168584 278565246 /nfs/dbraw/zinc/56/52/46/278565246.db2.gz FXMFRZJDFHMNMS-JTQLQIEISA-N 0 0 262.306 0.602 10 0 CCAERN C[C@@]1(F)CNCCN(C(=O)c2cn3c(n2)CCCC3)C1 ZINC000335363548 279167382 /nfs/dbraw/zinc/16/73/82/279167382.db2.gz UQVZGWROTKBKJY-CQSZACIVSA-N 0 0 280.347 0.993 10 0 CCAERN CC(C)OC(=O)N(C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000310550499 279636637 /nfs/dbraw/zinc/63/66/37/279636637.db2.gz WGJMDHAPHWKDEE-SECBINFHSA-N 0 0 264.347 0.497 10 0 CCAERN O=C(c1cnsn1)N1CCCN(c2cccnn2)CC1 ZINC000105811177 280234623 /nfs/dbraw/zinc/23/46/23/280234623.db2.gz CBUMGPJZVBYPEW-UHFFFAOYSA-N 0 0 290.352 0.681 10 0 CCAERN CC(C)[C@H]1CCO[C@H]1C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000329492331 280391920 /nfs/dbraw/zinc/39/19/20/280391920.db2.gz VZTJHFHMQDPWLU-QJPTWQEYSA-N 0 0 289.397 0.693 10 0 CCAERN CC[C@@H]1C[C@H](C(=O)N2CCO[C@H](C)[C@H]2C)CC(=O)N1 ZINC000408188464 280540578 /nfs/dbraw/zinc/54/05/78/280540578.db2.gz GMTNLKDPHBUMIC-WISYIIOYSA-N 0 0 268.357 0.927 10 0 CCAERN CC[C@H]1CN(C(=O)[C@@H]2CCCO2)CCN1CCOC ZINC000117307341 281141388 /nfs/dbraw/zinc/14/13/88/281141388.db2.gz KSSRFHJHJONLLN-STQMWFEESA-N 0 0 270.373 0.735 10 0 CCAERN CC1(C)C[C@H](NC(=O)N[C@@H]2CC[S@@](=O)C2)CCO1 ZINC000407991755 281348326 /nfs/dbraw/zinc/34/83/26/281348326.db2.gz XLMQBKNSXSZUCY-CLFVBBPSSA-N 0 0 274.386 0.764 10 0 CCAERN CC1(C)OC[C@H]([C@@H]2O[C@H]3OC(C)(C)O[C@H]3[C@@H]2O)O1 ZINC000044168425 281416898 /nfs/dbraw/zinc/41/68/98/281416898.db2.gz KEJGAYKWRDILTF-ZJDVBMNYSA-N 0 0 260.286 0.375 10 0 CCAERN C[C@@H]1C[C@@H](C(=O)N[C@@H]2CCOC(C)(C)C2)CC(=O)N1 ZINC000408201333 288458101 /nfs/dbraw/zinc/45/81/01/288458101.db2.gz HZXMBIZMZNGSTK-GMTAPVOTSA-N 0 0 268.357 0.975 10 0 CCAERN CCc1nnc(CN(C)[C@@H](C)CS(=O)(=O)CC)n1C ZINC000172000018 288651540 /nfs/dbraw/zinc/65/15/40/288651540.db2.gz XMOXJYOAIKVIPD-JTQLQIEISA-N 0 0 288.417 0.633 10 0 CCAERN COCC[C@H](C)S(=O)(=O)N1CC[S@@](=O)CC[C@H]1C ZINC000408389321 292683447 /nfs/dbraw/zinc/68/34/47/292683447.db2.gz ISTCSDGKTUWMBZ-RLFDGXBXSA-N 0 0 297.442 0.584 10 0 CCAERN CN(C)C(=O)[C@H]1CCCN1C(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000333960294 289018412 /nfs/dbraw/zinc/01/84/12/289018412.db2.gz KXNFIWNMPVXLJU-WHOHXGKFSA-N 0 0 278.352 0.681 10 0 CCAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)NN1CCOCC1 ZINC000117970166 289083663 /nfs/dbraw/zinc/08/36/63/289083663.db2.gz SOXYVMULSICVDF-MFKMUULPSA-N 0 0 262.309 0.915 10 0 CCAERN C[C@H](C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1)N1CCOCC1 ZINC000408348874 289304806 /nfs/dbraw/zinc/30/48/06/289304806.db2.gz FJSBLZHVDAALOH-IIAWOOMASA-N 0 0 296.411 0.861 10 0 CCAERN CN1C(=O)CC[C@H](C(=O)NCC(N)=O)[C@@H]1c1ccccc1 ZINC000171795721 289802918 /nfs/dbraw/zinc/80/29/18/289802918.db2.gz HCYMOMOFZXYOMG-FZMZJTMJSA-N 0 0 289.335 0.198 10 0 CCAERN CN1C(=O)C[C@H](N[C@H]2CCCNC2=O)c2ccccc21 ZINC000050395371 289842053 /nfs/dbraw/zinc/84/20/53/289842053.db2.gz KCGNDNHNVVISDA-RYUDHWBXSA-N 0 0 273.336 0.962 10 0 CCAERN CN1CCOC[C@@H]1C(=O)N1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000408044729 290065463 /nfs/dbraw/zinc/06/54/63/290065463.db2.gz WIQXIIKAAUWREP-OPRDCNLKSA-N 0 0 296.289 0.231 10 0 CCAERN C[C@H](O)CN1CCN(S(=O)(=O)CC(C)(C)C)C[C@H]1C ZINC000408431921 290115715 /nfs/dbraw/zinc/11/57/15/290115715.db2.gz KNRPZAYHYOXDTF-NEPJUHHUSA-N 0 0 292.445 0.749 10 0 CCAERN Cc1ccnc2c1NC(=O)CN2C(=O)c1ccnn1C ZINC000181051517 292795929 /nfs/dbraw/zinc/79/59/29/292795929.db2.gz DFSOLYKXTCFZNP-UHFFFAOYSA-N 0 0 271.280 0.722 10 0 CCAERN C[C@H]1CC(=O)NCCN1C(=O)NCC(F)(F)F ZINC000363568574 290322781 /nfs/dbraw/zinc/32/27/81/290322781.db2.gz CWIBNPRWTBGTGW-LURJTMIESA-N 0 0 253.224 0.469 10 0 CCAERN CNC(=O)C1(C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)CC1 ZINC000334662693 290350759 /nfs/dbraw/zinc/35/07/59/290350759.db2.gz AVGZFCMHUSHBIW-NHYWBVRUSA-N 0 0 280.368 0.666 10 0 CCAERN CNC(=O)CC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000184839618 290363698 /nfs/dbraw/zinc/36/36/98/290363698.db2.gz MWOBOXBXDYXMKA-GWCFXTLKSA-N 0 0 254.330 0.276 10 0 CCAERN COC[C@@H]1CN(C(=O)CN(C)C(C)=O)CC(C)(C)O1 ZINC000408029054 292903964 /nfs/dbraw/zinc/90/39/64/292903964.db2.gz AWIHLOCJRCIAAV-NSHDSACASA-N 0 0 272.345 0.117 10 0 CCAERN COC[C@@H]1CN(S(=O)(=O)C[C@H](C)OC)CC(C)(C)O1 ZINC000408025267 292922656 /nfs/dbraw/zinc/92/26/56/292922656.db2.gz AOLJBQQJUMNVLV-QWRGUYRKSA-N 0 0 295.401 0.477 10 0 CCAERN COC[C@H](C)CNC(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000408016260 293004038 /nfs/dbraw/zinc/00/40/38/293004038.db2.gz JBKQNLWMLXOTPY-AGIUHOORSA-N 0 0 285.388 0.383 10 0 CCAERN Cc1nc(C(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)c(C)o1 ZINC000408073012 293170472 /nfs/dbraw/zinc/17/04/72/293170472.db2.gz PHNHURKQWQSBGL-NWDGAFQWSA-N 0 0 279.340 0.837 10 0 CCAERN COC[C@H]1CN(C(=O)c2ccon2)CC(C)(C)O1 ZINC000285609956 293231672 /nfs/dbraw/zinc/23/16/72/293231672.db2.gz VGUVFZZTJMENLO-SECBINFHSA-N 0 0 254.286 0.941 10 0 CCAERN Cc1nn(C)c2c1N(C(=O)[C@@H]1CNC(=O)C1)CCS2 ZINC000369812386 293746858 /nfs/dbraw/zinc/74/68/58/293746858.db2.gz YBIJUVJVBDLSAA-QMMMGPOBSA-N 0 0 280.353 0.303 10 0 CCAERN C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N(CC(=O)[O-])CC1CC1 ZINC000384307846 545085186 /nfs/dbraw/zinc/08/51/86/545085186.db2.gz RNDLTPAVBDMBDY-ONGXEEELSA-N 0 0 254.330 0.698 10 0 CCAERN C[C@H]1[NH2+]CCC[C@@H]1C(=O)NC1(C(=O)[O-])CCCC1 ZINC000384248824 545085244 /nfs/dbraw/zinc/08/52/44/545085244.db2.gz KIPLUIGHCGFGFP-ZJUUUORDSA-N 0 0 254.330 0.888 10 0 CCAERN Cc1nsc(N2CC[C@H]3[C@@H](C2)NC(=O)N3C)n1 ZINC000284516181 294005958 /nfs/dbraw/zinc/00/59/58/294005958.db2.gz INGAVDSDGYNFQG-SFYZADRCSA-N 0 0 253.331 0.449 10 0 CCAERN 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CCAERN C[C@H](C(=O)Nc1ccccc1)N1CCOC[C@@H]1CO ZINC000168895524 544733102 /nfs/dbraw/zinc/73/31/02/544733102.db2.gz FBYAUPYALHTWPZ-YPMHNXCESA-N 0 0 264.325 0.707 10 0 CCAERN CCN1CCO[C@@H](CNc2cc(OC)ncn2)C1 ZINC000162537757 544712733 /nfs/dbraw/zinc/71/27/33/544712733.db2.gz SNMXUSUAAPIYKQ-JTQLQIEISA-N 0 0 252.318 0.618 10 0 CCAERN Cc1c(C(=O)NC[C@H](C)N2CCOCC2)ccn1C ZINC000195102493 544810755 /nfs/dbraw/zinc/81/07/55/544810755.db2.gz UFQDBRBBGLFYOI-NSHDSACASA-N 0 0 265.357 0.784 10 0 CCAERN Cc1nc2c([nH]1)CC[C@H](C(=O)N1CCN(C)CC1)C2 ZINC000220577785 544815051 /nfs/dbraw/zinc/81/50/51/544815051.db2.gz KGVKHKASENZWHO-NSHDSACASA-N 0 0 262.357 0.597 10 0 CCAERN CC(=O)NC1CN(C(=O)NCC(C)(C)c2ccncc2)C1 ZINC000190304128 544793757 /nfs/dbraw/zinc/79/37/57/544793757.db2.gz FNJFMTDZNDZIFQ-UHFFFAOYSA-N 0 0 290.367 0.889 10 0 CCAERN CCN(C)C(=O)Cn1nc(N)nc1Br ZINC000231802458 544860465 /nfs/dbraw/zinc/86/04/65/544860465.db2.gz YMBYJYRLIUIUMD-UHFFFAOYSA-N 0 0 262.111 0.101 10 0 CCAERN C[C@@H](CNC(=O)[C@@H]1COCCN1)c1nccs1 ZINC000235143547 544874314 /nfs/dbraw/zinc/87/43/14/544874314.db2.gz VGFSYGORJRGACX-IUCAKERBSA-N 0 0 255.343 0.351 10 0 CCAERN C[C@H](CS(C)(=O)=O)C(=O)N[C@H]1CCCC[C@H]1CO ZINC000248145618 544913809 /nfs/dbraw/zinc/91/38/09/544913809.db2.gz ZLJYMGBBBBCRBN-VWYCJHECSA-N 0 0 277.386 0.334 10 0 CCAERN C[C@H](C(=O)NC1CCCCC1)N1CCOC[C@H]1CO ZINC000253075111 544932704 /nfs/dbraw/zinc/93/27/04/544932704.db2.gz QDKKDIPFPFKBMB-DGCLKSJQSA-N 0 0 270.373 0.517 10 0 CCAERN O=C(N[C@@H]1CCC(=O)NC12CCC2)N1CC[C@H](F)C1 ZINC000333855289 545043755 /nfs/dbraw/zinc/04/37/55/545043755.db2.gz QHLGZCNSJYXQKB-VHSXEESVSA-N 0 0 269.320 0.941 10 0 CCAERN CC[C@@H]1OCC[C@H]1NC(=O)N1C[C@H](C)C[C@@H](O)C1 ZINC000333874291 545043973 /nfs/dbraw/zinc/04/39/73/545043973.db2.gz QBJRPWGVLCCRBM-KKOKHZNYSA-N 0 0 256.346 0.966 10 0 CCAERN Cc1ccc(C(=O)N2CC[C@@H](N3CCOCC3)C2)c(=O)[nH]1 ZINC000329746598 545026130 /nfs/dbraw/zinc/02/61/30/545026130.db2.gz RVMOBRAZGFCFHN-GFCCVEGCSA-N 0 0 291.351 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/nfs/dbraw/zinc/83/13/89/277831389.db2.gz YYBYNBXTOCKXDE-FPMFFAJLSA-N 0 0 269.341 0.554 10 0 CCAERN CC(=O)N(C[C@@H]1CCCN1C(=O)[C@H]1COCCO1)C1CC1 ZINC000408393114 277973178 /nfs/dbraw/zinc/97/31/78/277973178.db2.gz HBVRUBNQPWIZNM-UONOGXRCSA-N 0 0 296.367 0.404 10 0 CCAERN CC(=O)N1CCCC[C@@H]1C(=O)NC[C@H](O)C(F)F ZINC000408074610 277990588 /nfs/dbraw/zinc/99/05/88/277990588.db2.gz QQQYZEDJMNMUJP-BDAKNGLRSA-N 0 0 264.272 0.130 10 0 CCAERN C[C@@H]1NC(=O)CC[C@H]1NC(=O)c1ccc2nc[nH]c2n1 ZINC000282253838 278046736 /nfs/dbraw/zinc/04/67/36/278046736.db2.gz SSLHJRMTERUPPG-JGVFFNPUSA-N 0 0 273.296 0.355 10 0 CCAERN CC(C)c1nnc2n1C[C@@H](NC(=O)C1=COCCO1)CC2 ZINC000195264652 278109707 /nfs/dbraw/zinc/10/97/07/278109707.db2.gz UKODXOYZSRHQCZ-JTQLQIEISA-N 0 0 292.339 0.721 10 0 CCAERN CC(=O)N[C@@H](CC(C)C)C(=O)N1CCCN(C(N)=O)CC1 ZINC000183033475 278136647 /nfs/dbraw/zinc/13/66/47/278136647.db2.gz NPSLOUIGDJURCV-LBPRGKRZSA-N 0 0 298.387 0.150 10 0 CCAERN C[C@@H](Nc1nc2c(c(=O)[nH]c(=O)n2C)n1C)[C@H]1CCCO1 ZINC000271572570 278390190 /nfs/dbraw/zinc/39/01/90/278390190.db2.gz BXUISWZBSFLBGK-HTQZYQBOSA-N 0 0 293.327 0.352 10 0 CCAERN C[C@H]1NC(=O)CC[C@@H]1NC(=O)c1cnc(Cl)cn1 ZINC000282376017 278509042 /nfs/dbraw/zinc/50/90/42/278509042.db2.gz BMMLCMROIXWPKH-RQJHMYQMSA-N 0 0 268.704 0.527 10 0 CCAERN CC(C)N1CCC[C@@H](N2C[C@H](F)C[C@H]2C(N)=O)C1=O ZINC000408045322 279499881 /nfs/dbraw/zinc/49/98/81/279499881.db2.gz QXNXRPFUHJATIC-MXWKQRLJSA-N 0 0 271.336 0.284 10 0 CCAERN CC(C)[C@@H](C(=O)N(C)CC1CC(O)C1)N1CCCC1=O ZINC000135367586 279753010 /nfs/dbraw/zinc/75/30/10/279753010.db2.gz YJUFNPBSYRWOQL-YIZWMMSDSA-N 0 0 282.384 0.863 10 0 CCAERN Cc1cc(C(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)no1 ZINC000283936995 280335122 /nfs/dbraw/zinc/33/51/22/280335122.db2.gz FNOBDIJNNWQOMD-RYUDHWBXSA-N 0 0 265.313 0.528 10 0 CCAERN CC[C@@H]1CN(C(=O)C2=NNC(=O)CC2)CCCO1 ZINC000281996806 280346400 /nfs/dbraw/zinc/34/64/00/280346400.db2.gz PZXRQELJVIPGGN-SECBINFHSA-N 0 0 253.302 0.280 10 0 CCAERN CC(C)[C@H]1CCO[C@H]1C(=O)N1CCN2C(=O)N=NC2C1 ZINC000329518445 280396064 /nfs/dbraw/zinc/39/60/64/280396064.db2.gz PQTYEOUSDGCQNF-MWLCHTKSSA-N 0 0 280.328 0.387 10 0 CCAERN CC(C)[C@H]1N(C(=O)N=c2nc[nH]n2C)C[C@]12CCCO2 ZINC000333550437 280451269 /nfs/dbraw/zinc/45/12/69/280451269.db2.gz UMEKTLUIRAHVJV-ZWNOBZJWSA-N 0 0 279.344 0.658 10 0 CCAERN CC(C)[C@H]1N(S(=O)(=O)c2cnn(C)c2)C[C@]12CCCO2 ZINC000328835510 280477667 /nfs/dbraw/zinc/47/76/67/280477667.db2.gz MIBHAIZGNUDMNS-CHWSQXEVSA-N 0 0 299.396 0.998 10 0 CCAERN CC[C@H]1CO[C@H](C)CN1C(=O)C1=NNC(=O)CC1 ZINC000035133165 281213573 /nfs/dbraw/zinc/21/35/73/281213573.db2.gz QHPVLVSKTIJQSI-BDAKNGLRSA-N 0 0 253.302 0.278 10 0 CCAERN CC1(C)CNC(=O)CN1S(=O)(=O)c1cncc(F)c1 ZINC000407958324 281278797 /nfs/dbraw/zinc/27/87/97/281278797.db2.gz RELVACBHWPXYBE-UHFFFAOYSA-N 0 0 287.316 0.120 10 0 CCAERN CC[C@H]1C[C@H](C(=O)N(C)CC2(O)CCC2)CC(=O)N1 ZINC000408216186 288342920 /nfs/dbraw/zinc/34/29/20/288342920.db2.gz BIYMUKWHTKOTRJ-QWRGUYRKSA-N 0 0 268.357 0.665 10 0 CCAERN C[C@@H]1COC[C@@H](C)N1C[C@H](O)CN1[C@H](C)COC[C@@H]1C ZINC000246052316 288374733 /nfs/dbraw/zinc/37/47/33/288374733.db2.gz YGQLOWSZRNCPCE-ZSAUSMIDSA-N 0 0 286.416 0.566 10 0 CCAERN CN(C)C(=O)c1ccc(NC[C@@H]2CCC[C@@H]2O)nn1 ZINC000095012178 282007022 /nfs/dbraw/zinc/00/70/22/282007022.db2.gz ASZIHBZFWDGUKH-ONGXEEELSA-N 0 0 264.329 0.751 10 0 CCAERN C[C@@H]1OCC[C@@]1(C)NC(=O)c1cnc2ccccn2c1=O ZINC000408183742 288899016 /nfs/dbraw/zinc/89/90/16/288899016.db2.gz TYIHLAFXPBPLBA-ZUZCIYMTSA-N 0 0 287.319 0.992 10 0 CCAERN CN(C)C(=O)[C@H]1CCCN1C(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000333960291 289017966 /nfs/dbraw/zinc/01/79/66/289017966.db2.gz KXNFIWNMPVXLJU-IRCOFANPSA-N 0 0 278.352 0.681 10 0 CCAERN C[C@H](C(=O)N1CCCCCC1)N1CCCN(C)C(=O)C1 ZINC000191108469 289266557 /nfs/dbraw/zinc/26/65/57/289266557.db2.gz WMWHNSPIGQJUCT-CYBMUJFWSA-N 0 0 281.400 0.942 10 0 CCAERN CN1CCCN(C(=O)[C@@H]2COc3ccccc32)CC1=O ZINC000189786171 289930348 /nfs/dbraw/zinc/93/03/48/289930348.db2.gz AUVQXHLHYIYGMZ-GFCCVEGCSA-N 0 0 274.320 0.853 10 0 CCAERN CN1CCO[C@H]2CCN(C(=O)CC(F)(F)F)C[C@H]21 ZINC000334282980 290111593 /nfs/dbraw/zinc/11/15/93/290111593.db2.gz YVAXLAGDRBGIIW-BDAKNGLRSA-N 0 0 266.263 0.870 10 0 CCAERN Cc1csc2ncnc(N3CCC[C@@](O)(C(N)=O)C3)c12 ZINC000408465270 293080178 /nfs/dbraw/zinc/08/01/78/293080178.db2.gz GXUHKLNAIMBFLR-ZDUSSCGKSA-N 0 0 292.364 0.816 10 0 CCAERN Cc1nc(C)c(C(=O)N2CCNC(=O)[C@@H]2C)nc1C ZINC000184932849 293215639 /nfs/dbraw/zinc/21/56/39/293215639.db2.gz AUVLFLREQSPPFE-JTQLQIEISA-N 0 0 262.313 0.362 10 0 CCAERN Cc1nnc([C@@H]2CCCCN2C(=O)[C@@H](C)NC(N)=O)[nH]1 ZINC000407979565 293361981 /nfs/dbraw/zinc/36/19/81/293361981.db2.gz CAOZKVVUHRRVBN-APPZFPTMSA-N 0 0 280.332 0.224 10 0 CCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CC[C@H](C)[C@@H](O)C1 ZINC000305755985 293502501 /nfs/dbraw/zinc/50/25/01/293502501.db2.gz BRAFFSORVHLTTL-DLOVCJGASA-N 0 0 293.371 0.834 10 0 CCAERN Cc1sc2ncn(Cc3nc(=O)n(C)[nH]3)c(=O)c2c1C ZINC000329810735 294087897 /nfs/dbraw/zinc/08/78/97/294087897.db2.gz CMMUYUDLRPXXLL-UHFFFAOYSA-N 0 0 291.336 0.545 10 0 CCAERN Cn1cc([C@]2(C)CN(C(=O)[C@@H]3CCOC3)CCO2)cn1 ZINC000128015196 294307893 /nfs/dbraw/zinc/30/78/93/294307893.db2.gz YQUHZXPLZJHXPN-RISCZKNCSA-N 0 0 279.340 0.531 10 0 CCAERN CO[C@H]1CCC[C@H](CC(=O)N2CCO[C@H](C)[C@H]2C(N)=O)C1 ZINC000408063854 294531187 /nfs/dbraw/zinc/53/11/87/294531187.db2.gz SPSHYLZIIAONCK-UHXUPSOCSA-N 0 0 298.383 0.683 10 0 CCAERN Cn1nccc1C(=O)N[C@H]1Cc2ccccc2[C@H]1O ZINC000178701809 294582811 /nfs/dbraw/zinc/58/28/11/294582811.db2.gz ROMFFWCRGLUSKV-WCQYABFASA-N 0 0 257.293 0.808 10 0 CCAERN COc1ccc(C(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)cn1 ZINC000284265906 295089876 /nfs/dbraw/zinc/08/98/76/295089876.db2.gz XYFJMFJZRJAXOF-OLZOCXBDSA-N 0 0 291.351 0.635 10 0 CCAERN NC(=O)c1ccc(N2CC[C@@]3(O)CCCC[C@@H]3C2)nn1 ZINC000128340166 295182898 /nfs/dbraw/zinc/18/28/98/295182898.db2.gz BNGREYPYDFDUKQ-YGRLFVJLSA-N 0 0 276.340 0.707 10 0 CCAERN C[C@@H]1C[C@@H](CN2C(=O)[C@@H]3[C@H](O)CCCN3C2=O)C[C@H](C)O1 ZINC000329281042 297250893 /nfs/dbraw/zinc/25/08/93/297250893.db2.gz KODTZNYQQUHZOQ-MLGHIDQZSA-N 0 0 296.367 0.978 10 0 CCAERN C[C@@H]1C[C@@H]1NC(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000408255856 297308510 /nfs/dbraw/zinc/30/85/10/297308510.db2.gz UEYDGJLCPXZLIG-GBIKHYSHSA-N 0 0 251.330 0.707 10 0 CCAERN C[C@@H]1OCC[C@@H]1NC(=O)N1CCOC[C@@H]1C1CC1 ZINC000129116061 297595829 /nfs/dbraw/zinc/59/58/29/297595829.db2.gz JKZGGTFCXWMBKG-ZMLRMANQSA-N 0 0 254.330 0.984 10 0 CCAERN C[C@@H]1OCC[C@H]1NS(=O)(=O)c1cccc(N)c1 ZINC000149179487 297631232 /nfs/dbraw/zinc/63/12/32/297631232.db2.gz PWHCJLKDXYRYJQ-GZMMTYOYSA-N 0 0 256.327 0.725 10 0 CCAERN C[C@H]1NC(=O)CC[C@@H]1Nc1ccc2nccnc2n1 ZINC000392890744 545087613 /nfs/dbraw/zinc/08/76/13/545087613.db2.gz DITNMCLAAFHPCL-BDAKNGLRSA-N 0 0 257.297 0.477 10 0 CCAERN Nc1ncc(S(=O)(=O)NCc2ccco2)s1 ZINC000396172867 545088379 /nfs/dbraw/zinc/08/83/79/545088379.db2.gz ROWWLHQSTMVOTC-UHFFFAOYSA-N 0 0 259.312 0.797 10 0 CCAERN C[C@H]1COC[C@H](C)N1C(=O)C[C@@H]1NC(=O)NC1=O ZINC000328842288 300360686 /nfs/dbraw/zinc/36/06/86/300360686.db2.gz VUZMHGZQJQJFAZ-FXQIFTODSA-N 0 0 255.274 0.265 10 0 CCAERN C[C@H]1O[C@@H](n2cc(F)c(N)nc2=O)[C@H]2OC(C)(C)O[C@@H]12 ZINC000022055891 300643739 /nfs/dbraw/zinc/64/37/39/300643739.db2.gz XXYNQHIPVNHJFE-RKBOWSCOSA-N 0 0 285.275 0.402 10 0 in-vitro CCAERN O=C1N[C@H](c2cc3ccccc3[nH]c2=O)N2CCOC[C@@H]12 ZINC000093884961 304685598 /nfs/dbraw/zinc/68/55/98/304685598.db2.gz HUWARAVMRKCOGK-STQMWFEESA-N 0 0 285.303 0.357 10 0 CCAERN O=C1Nc2ccccc2CC[C@@H]1N1CCO[C@H](CO)C1 ZINC000277021941 304689281 /nfs/dbraw/zinc/68/92/81/304689281.db2.gz RDKCIUVFAWDHCR-JSGCOSHPSA-N 0 0 276.336 0.633 10 0 CCAERN Cc1cc(F)ccc1[C@@H]1NC(=O)[C@H]2COCCN21 ZINC000093884262 301323299 /nfs/dbraw/zinc/32/32/99/301323299.db2.gz HZTSXFNUJOWCBC-VXGBXAGGSA-N 0 0 250.273 0.963 10 0 CCAERN Cc1cccc(C(=O)N2CCOC[C@H]2C(N)=O)c1C ZINC000180267016 301949698 /nfs/dbraw/zinc/94/96/98/301949698.db2.gz VDZAVTNGFMPKRD-LBPRGKRZSA-N 0 0 262.309 0.630 10 0 CCAERN Cc1cnn(C)c1S(=O)(=O)N1CCC[C@H](C)[C@H]1CO ZINC000408067793 302394462 /nfs/dbraw/zinc/39/44/62/302394462.db2.gz FJPBAGFOKWMQMB-GXSJLCMTSA-N 0 0 287.385 0.510 10 0 CCAERN Cn1c(Cl)c(C(=O)c2ccccc2)c(=O)n(C)c1=O ZINC000000158144 302895833 /nfs/dbraw/zinc/89/58/33/302895833.db2.gz UERWFHMCHQGBAE-UHFFFAOYSA-N 0 0 278.695 0.968 10 0 CCAERN Cn1cc([C@H]2[C@H](C(=O)N3CCCC3)CCC(=O)N2C)cn1 ZINC000408173694 302941922 /nfs/dbraw/zinc/94/19/22/302941922.db2.gz CDSYCOHTYYSGOB-OCCSQVGLSA-N 0 0 290.367 0.952 10 0 CCAERN Cn1ccnc1[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1O ZINC000346421817 303002149 /nfs/dbraw/zinc/00/21/49/303002149.db2.gz SWOOMISCHQHBRW-ZDEQEGDKSA-N 0 0 293.367 0.917 10 0 CCAERN Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCC[C@H]1O ZINC000286061149 303002485 /nfs/dbraw/zinc/00/24/85/303002485.db2.gz SWOOMISCHQHBRW-YVECIDJPSA-N 0 0 293.367 0.917 10 0 CCAERN NC(=O)[C@H]1COCCN1C(=O)[C@H]1CCC(=O)c2cccn21 ZINC000329902971 303231181 /nfs/dbraw/zinc/23/11/81/303231181.db2.gz PUUDRVFFLWQSBR-GHMZBOCLSA-N 0 0 291.307 0.768 10 0 CCAERN NC(=O)Nc1cccc(NC(=O)[C@H]2CNC(=O)C2)c1 ZINC000110358881 303288498 /nfs/dbraw/zinc/28/84/98/303288498.db2.gz MLUSRXYZYXYFLS-SSDOTTSWSA-N 0 0 262.269 0.252 10 0 CCAERN NC(=O)[C@H]1COCCN1C(=O)c1nccc2ccccc21 ZINC000091780817 303334291 /nfs/dbraw/zinc/33/42/91/303334291.db2.gz PJDWNSKARMRTPW-GFCCVEGCSA-N 0 0 285.303 0.561 10 0 CCAERN O=C(N1CCOCC1)N1CCC(O)(C(F)F)CC1 ZINC000336102927 303683109 /nfs/dbraw/zinc/68/31/09/303683109.db2.gz AVOQZHKSCIJZLF-UHFFFAOYSA-N 0 0 264.272 0.531 10 0 CCAERN O=C(NC1CCS(=O)CC1)c1ccc[nH]c1=O ZINC000408134736 303746511 /nfs/dbraw/zinc/74/65/11/303746511.db2.gz UPILAXTXKYULMQ-UHFFFAOYSA-N 0 0 254.311 0.428 10 0 CCAERN C[C@H]1C[C@H](O)CN1c1ccc(S(C)(=O)=O)cn1 ZINC000384975343 327982640 /nfs/dbraw/zinc/98/26/40/327982640.db2.gz XPPWVVYFSPHIMD-IUCAKERBSA-N 0 0 256.327 0.445 10 0 CCAERN O=C(N[C@H]1CCCn2ncnc21)N1CCO[C@H](C2CC2)C1 ZINC000332962550 330125802 /nfs/dbraw/zinc/12/58/02/330125802.db2.gz HMIXIUCKJQUQFF-RYUDHWBXSA-N 0 0 291.355 0.933 10 0 CCAERN O=C(N[C@H]1CCc2ncnn2C1)N1CCO[C@H](C2CC2)C1 ZINC000332981157 330849212 /nfs/dbraw/zinc/84/92/12/330849212.db2.gz NJZHUVNXTQMYKN-RYUDHWBXSA-N 0 0 291.355 0.413 10 0 CCAERN C[C@@H](CO[C@H]1CCOC1)NC(=O)N[C@@H]1CCO[C@@H]1C ZINC000332986630 330857662 /nfs/dbraw/zinc/85/76/62/330857662.db2.gz YEBHHMHEJDFULC-WHOHXGKFSA-N 0 0 272.345 0.657 10 0 CCAERN O=C([C@@H]1CCCO1)N1CCC[C@@]2(CCC(=O)N2)CC1 ZINC000253616182 333186108 /nfs/dbraw/zinc/18/61/08/333186108.db2.gz WSXCXVKBKJGEHP-SMDDNHRTSA-N 0 0 266.341 0.827 10 0 CCAERN Nc1cccc2c1C(=O)N(Cc1cnn(CCO)c1)C2=O ZINC000068690814 333246685 /nfs/dbraw/zinc/24/66/85/333246685.db2.gz OQEMNAJLHNWUSZ-UHFFFAOYSA-N 0 0 286.291 0.254 10 0 CCAERN CCc1cc(C(=O)N[C@H]2CCCC[C@H]2O)cc(=O)[nH]1 ZINC000182348012 335812323 /nfs/dbraw/zinc/81/23/23/335812323.db2.gz PMMYZKLPKOXCIQ-NWDGAFQWSA-N 0 0 264.325 0.971 10 0 CCAERN Cn1c(Cn2nnc3ccccc3c2=O)nnc1C1CC1 ZINC000194674052 336036816 /nfs/dbraw/zinc/03/68/16/336036816.db2.gz BZGOUOWLWFGRRU-UHFFFAOYSA-N 0 0 282.307 0.846 10 0 CCAERN CCCNc1snnc1CN1CCCS1(=O)=O ZINC000050829556 520202073 /nfs/dbraw/zinc/20/20/73/520202073.db2.gz ULEDKWXINJSCFS-UHFFFAOYSA-N 0 0 276.387 0.896 10 0 CCAERN CCN(C[C@@H](C)C(=O)[O-])C(=O)N[C@@H]1CC[N@H+](C)C1 ZINC000061225257 521194218 /nfs/dbraw/zinc/19/42/18/521194218.db2.gz ODABBPDYDIZWFV-NXEZZACHSA-N 0 0 257.334 0.443 10 0 CCAERN C[C@@H]1CCN(C(=O)c2cn(C)nc2[C@@H]2CCOC2)C[C@H]1O ZINC000330320089 534014962 /nfs/dbraw/zinc/01/49/62/534014962.db2.gz DVGWPVCVNZURNQ-NQBHXWOUSA-N 0 0 293.367 0.767 10 0 CCAERN C[C@@H](CO)CNS(=O)(=O)N1CCC[C@@H](C)C1 ZINC000083220219 534112188 /nfs/dbraw/zinc/11/21/88/534112188.db2.gz CJKWOVWXWNSELZ-NXEZZACHSA-N 0 0 250.364 0.181 10 0 CCAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CCC[C@@H]1CO)CC2 ZINC000118581408 517865088 /nfs/dbraw/zinc/86/50/88/517865088.db2.gz WSSKOCWYWLVVEU-GHMZBOCLSA-N 0 0 293.371 0.322 10 0 CCAERN CC(=O)NCCCN1CCN(c2cccs2)C(=O)C1 ZINC000186114285 534389440 /nfs/dbraw/zinc/38/94/40/534389440.db2.gz POIIJOXYTMNDCE-UHFFFAOYSA-N 0 0 281.381 0.923 10 0 CCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N[C@@H]1CC(C)(C)OC1(C)C ZINC000365486505 519635562 /nfs/dbraw/zinc/63/55/62/519635562.db2.gz QBRNDJIFCVNWKR-QJPTWQEYSA-N 0 0 298.383 0.430 10 0 CCAERN CC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CC[C@H](CC(C)C)C1 ZINC000357389267 519636807 /nfs/dbraw/zinc/63/68/07/519636807.db2.gz YHTGZDZJNGYUPT-MCIONIFRSA-N 0 0 282.384 0.863 10 0 CCAERN CC(=O)NCCNC(=O)c1cnc(N)c(Cl)c1 ZINC000050702673 519667148 /nfs/dbraw/zinc/66/71/48/519667148.db2.gz JRUIBFMPIBVOMH-UHFFFAOYSA-N 0 0 256.693 0.183 10 0 CCAERN CC(C)NS(=O)(=O)NC[C@H]1CCCC[C@H]1O ZINC000163268642 519731941 /nfs/dbraw/zinc/73/19/41/519731941.db2.gz KXJRKCKFCBXRPM-NXEZZACHSA-N 0 0 250.364 0.370 10 0 CCAERN CC(C)S(=O)(=O)CC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000054847553 519786433 /nfs/dbraw/zinc/78/64/33/519786433.db2.gz YTYUNFJOMWACLE-NXEZZACHSA-N 0 0 263.359 0.445 10 0 CCAERN CCCNS(=O)(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000160690738 519977929 /nfs/dbraw/zinc/97/79/29/519977929.db2.gz DOFVBZGVTUVETQ-UWVGGRQHSA-N 0 0 250.364 0.372 10 0 CCAERN CCNc1cc(S(=O)(=O)NCCOCC)ccn1 ZINC000050631415 520276286 /nfs/dbraw/zinc/27/62/86/520276286.db2.gz ZPJMWJVCLFHKRH-UHFFFAOYSA-N 0 0 273.358 0.828 10 0 CCAERN CCO[C@@H](CN1CC[NH+](C(C)(C)C)CC1)C(=O)[O-] ZINC000062755450 520310393 /nfs/dbraw/zinc/31/03/93/520310393.db2.gz KPUGAMWGPGEREI-NSHDSACASA-N 0 0 258.362 0.892 10 0 CCAERN CCNc1ccnc(C(=O)N2CCS(=O)(=O)CC2)c1 ZINC000050755810 520345350 /nfs/dbraw/zinc/34/53/50/520345350.db2.gz SFWGBENRJAOWSN-UHFFFAOYSA-N 0 0 283.353 0.384 10 0 CCAERN CCN(C[C@@H](C)C(N)=S)C(=O)c1ccnn1C ZINC000061665522 521199710 /nfs/dbraw/zinc/19/97/10/521199710.db2.gz UESJQIQPTKGRAD-MRVPVSSYSA-N 0 0 254.359 0.804 10 0 CCAERN CCCN(CC(=O)N(C)C)C(=O)c1csc(N)n1 ZINC000055188093 521528372 /nfs/dbraw/zinc/52/83/72/521528372.db2.gz SXOWGARHANEZCN-UHFFFAOYSA-N 0 0 270.358 0.666 10 0 CCAERN CC(=O)N[C@@H]1CCCN(C(=O)NC2CCOCC2)C1 ZINC000408020708 534576489 /nfs/dbraw/zinc/57/64/89/534576489.db2.gz FMYQGGHJQRUTTC-GFCCVEGCSA-N 0 0 269.345 0.476 10 0 CCAERN CNc1cc(S(=O)(=O)N(CCO)C2CC2)ccn1 ZINC000050692097 522570753 /nfs/dbraw/zinc/57/07/53/522570753.db2.gz NKJYHAYGJBKYAP-UHFFFAOYSA-N 0 0 271.342 0.269 10 0 CCAERN CC[C@H](OC(=O)c1ccc(OC)c(N)c1)C(N)=O ZINC000061678563 522830793 /nfs/dbraw/zinc/83/07/93/522830793.db2.gz WBPCACMBYLICCQ-VIFPVBQESA-N 0 0 252.270 0.698 10 0 CCAERN COC(=O)CCCN(C)C(=O)CCSCC(N)=O ZINC000055385764 523005187 /nfs/dbraw/zinc/00/51/87/523005187.db2.gz HQQUCAIWMVVFKQ-UHFFFAOYSA-N 0 0 276.358 0.007 10 0 CCAERN COC(=O)[C@@H](C)NC(=O)c1cc(OC)ccc1N ZINC000049351473 523543447 /nfs/dbraw/zinc/54/34/47/523543447.db2.gz BDDBGORTAGBIKS-SSDOTTSWSA-N 0 0 252.270 0.569 10 0 CCAERN COCCN(C)c1nc(Cl)nc(-n2ccnc2)n1 ZINC000061538622 523640108 /nfs/dbraw/zinc/64/01/08/523640108.db2.gz UEKMUJFNIOYGBE-UHFFFAOYSA-N 0 0 268.708 0.793 10 0 CCAERN CN1C(=O)Cc2cc([C@@H](O)[C@H]3COCCO3)ccc21 ZINC000055303349 523715060 /nfs/dbraw/zinc/71/50/60/523715060.db2.gz ZAWMZJRVKRJNCJ-TZMCWYRMSA-N 0 0 263.293 0.654 10 0 CCAERN COCCN1CCN(C(=O)Nc2cccnn2)C[C@H]1C ZINC000151826631 523847232 /nfs/dbraw/zinc/84/72/32/523847232.db2.gz FISNYFPOBHQUJM-LLVKDONJSA-N 0 0 279.344 0.661 10 0 CCAERN CN1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 ZINC000041130760 523883362 /nfs/dbraw/zinc/88/33/62/523883362.db2.gz QHQBEELVLVTWHG-UHFFFAOYSA-N 0 0 282.365 0.478 10 0 CCAERN CN1CCN(C(=O)c2cnc(N)c(Cl)c2)CC1 ZINC000050697271 523883621 /nfs/dbraw/zinc/88/36/21/523883621.db2.gz YFGFRWADZKQUAB-UHFFFAOYSA-N 0 0 254.721 0.705 10 0 CCAERN CNC(=O)[C@@H]1CCCN1C(=O)NC1CCC(O)CC1 ZINC000157396994 524082229 /nfs/dbraw/zinc/08/22/29/524082229.db2.gz RCOWEYFZFMTFCD-ILDUYXDCSA-N 0 0 269.345 0.210 10 0 CCAERN COc1ccc(CNc2nccn(C)c2=O)cc1N ZINC000061752444 524107441 /nfs/dbraw/zinc/10/74/41/524107441.db2.gz XQEGYERPIZGNSW-UHFFFAOYSA-N 0 0 260.297 0.983 10 0 CCAERN C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H](C)C(=O)[O-] ZINC000049502751 524332116 /nfs/dbraw/zinc/33/21/16/524332116.db2.gz YOVMCTONFOJEKA-ZJUUUORDSA-N 0 0 257.334 0.633 10 0 CCAERN C[C@@H]1CCC[C@](N)(c2nc(CS(C)(=O)=O)no2)C1 ZINC000052788509 524432504 /nfs/dbraw/zinc/43/25/04/524432504.db2.gz BNVNIXINUPQRII-LDYMZIIASA-N 0 0 273.358 0.978 10 0 CCAERN C[C@H]1CN(S(=O)(=O)c2ccnc(N)c2)CCO1 ZINC000050638985 524660986 /nfs/dbraw/zinc/66/09/86/524660986.db2.gz SYRSJZJCPXUNGP-QMMMGPOBSA-N 0 0 257.315 0.073 10 0 CCAERN COc1ccc(N[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1C ZINC000049530119 524704913 /nfs/dbraw/zinc/70/49/13/524704913.db2.gz CCAKCEDIHHVAFE-MNOVXSKESA-N 0 0 271.338 0.573 10 0 CCAERN Cc1cc(CS(=O)(=O)N2C[C@H](F)C[C@H]2CO)no1 ZINC000363737553 524810571 /nfs/dbraw/zinc/81/05/71/524810571.db2.gz DZXBREGOSNRYNR-SCZZXKLOSA-N 0 0 278.305 0.218 10 0 CCAERN C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1cnn(CC(F)F)c1 ZINC000156521472 524846216 /nfs/dbraw/zinc/84/62/16/524846216.db2.gz MWWZRWDNDLKVEJ-XPUUQOCRSA-N 0 0 272.255 0.611 10 0 CCAERN CC(=O)N1CC[C@H](NC(=O)N[C@@H]2CCO[C@@H](C)C2)C1 ZINC000408081016 534815629 /nfs/dbraw/zinc/81/56/29/534815629.db2.gz UEHGXGOGZPBIQQ-WCQGTBRESA-N 0 0 269.345 0.474 10 0 CCAERN COc1ncncc1NC(=O)C(=O)N[C@H](C)C1CC1 ZINC000184195115 525086169 /nfs/dbraw/zinc/08/61/69/525086169.db2.gz CMFZBTYLZPALPM-SSDOTTSWSA-N 0 0 264.285 0.338 10 0 CCAERN COc1ncncc1NC(=O)C(=O)N[C@H](C)C(C)C ZINC000184179939 525086898 /nfs/dbraw/zinc/08/68/98/525086898.db2.gz OQMOHVVEWQGETJ-MRVPVSSYSA-N 0 0 266.301 0.584 10 0 CCAERN COc1ncncc1NC(=O)C(=O)N[C@@H](C)C1CC1 ZINC000184195087 525087258 /nfs/dbraw/zinc/08/72/58/525087258.db2.gz CMFZBTYLZPALPM-ZETCQYMHSA-N 0 0 264.285 0.338 10 0 CCAERN CS(=O)(=O)CCCn1c2ccc(N)cc2oc1=O ZINC000063015029 525120654 /nfs/dbraw/zinc/12/06/54/525120654.db2.gz LHOFDERNXRPHSM-UHFFFAOYSA-N 0 0 270.310 0.611 10 0 CCAERN C[S@@](=O)CCC(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC000158039843 525362847 /nfs/dbraw/zinc/36/28/47/525362847.db2.gz QHKZHLFVTSBGLD-XYZCENFISA-N 0 0 255.343 0.152 10 0 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293466759 /nfs/dbraw/zinc/46/67/59/293466759.db2.gz WGUZTZJAZBEQTF-RWMBFGLXSA-N 0 0 285.388 0.526 10 0 CCAERN Cc1nccn1C[C@H]1CCCN1S(=O)(=O)N(C)C ZINC000173358024 293656858 /nfs/dbraw/zinc/65/68/58/293656858.db2.gz VTQVIRNXWDUJRM-LLVKDONJSA-N 0 0 272.374 0.462 10 0 CCAERN CO[C@@H]1CN(C(=O)N[C@@H]2CC[S@](=O)C2)CC[C@H]1C ZINC000408255471 293813834 /nfs/dbraw/zinc/81/38/34/293813834.db2.gz HXHYJRVBHFWJBY-AHHJTMGVSA-N 0 0 274.386 0.574 10 0 CCAERN Cn1c(Cn2cnn(C(C)(C)C)c2=O)nnc1C1CC1 ZINC000155767960 294158721 /nfs/dbraw/zinc/15/87/21/294158721.db2.gz WXEOLBIYFFVBGS-UHFFFAOYSA-N 0 0 276.344 0.854 10 0 CCAERN Cn1cc(NC(=O)N[C@H]2CCCn3ncnc32)cn1 ZINC000408211564 294263929 /nfs/dbraw/zinc/26/39/29/294263929.db2.gz PTEBLJIJTRTKJD-VIFPVBQESA-N 0 0 261.289 0.668 10 0 CCAERN C[C@@H]1CN([C@@H]2CCCC[C@@H]2O)C[C@H](C)S1(=O)=O ZINC000329824294 297070155 /nfs/dbraw/zinc/07/01/55/297070155.db2.gz HUPWPMYNAUABTH-KXNHARMFSA-N 0 0 261.387 0.797 10 0 CCAERN NC(=O)[C@H]1COCCN1C(=O)CCC(=O)c1ccccc1 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288.369 0.849 10 0 CCAERN C[C@@H]1CN(C(=O)NCC(C)(C)C)CCS1(=O)=O ZINC000172361298 335102796 /nfs/dbraw/zinc/10/27/96/335102796.db2.gz ICPHQLSKONJIDT-SECBINFHSA-N 0 0 262.375 0.861 10 0 CCAERN CC(C)(C)OC(=O)N1C[C@@H]2CC[NH2+][C@]2(C(=O)[O-])C1 ZINC000307665527 332580524 /nfs/dbraw/zinc/58/05/24/332580524.db2.gz BMSOGTCNUOENTK-QPUJVOFHSA-N 0 0 256.302 0.670 10 0 CCAERN O=C(N[C@@H]1CCOC2(CCCC2)C1)N1CCO[C@@H](CO)C1 ZINC000333007499 334835571 /nfs/dbraw/zinc/83/55/71/334835571.db2.gz PJBNDHVXPRMVIM-CHWSQXEVSA-N 0 0 298.383 0.881 10 0 CCAERN CCn1ccnc1CS(=O)(=O)c1n[nH]c(C2CC2)n1 ZINC000177311983 335370043 /nfs/dbraw/zinc/37/00/43/335370043.db2.gz XLYJTPKMMHGARF-UHFFFAOYSA-N 0 0 281.341 0.872 10 0 CCAERN CC[C@@H](O)CN1CCN(C(=O)NCc2ccncc2)CC1 ZINC000181527800 335767491 /nfs/dbraw/zinc/76/74/91/335767491.db2.gz AJAKUAFHWNEVFQ-CQSZACIVSA-N 0 0 292.383 0.680 10 0 CCAERN CC[C@H](O)CN1CCN(C(=O)NC[C@@]2(C)CCCO2)CC1 ZINC000181951094 335792228 /nfs/dbraw/zinc/79/22/28/335792228.db2.gz 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/nfs/dbraw/zinc/84/52/38/137845238.db2.gz PALYOBACXWJEAC-IJLUTSLNSA-N 0 0 268.357 0.929 10 0 CCAERN COCC1CCN(C(=O)[C@@H]2CC(=O)N[C@H](C)C2)CC1 ZINC000408165651 137845280 /nfs/dbraw/zinc/84/52/80/137845280.db2.gz NKCCUQBVMOAMHT-PWSUYJOCSA-N 0 0 268.357 0.786 10 0 CCAERN CC(=O)N1CC[C@H](NC(=O)c2c[nH]cc(C)c2=O)C1 ZINC000408168618 137845790 /nfs/dbraw/zinc/84/57/90/137845790.db2.gz KOURPJPKICWPOS-JTQLQIEISA-N 0 0 263.297 0.034 10 0 CCAERN CCO[C@@]1(C(=O)N[C@H](C)C2(CO)CC2)CCOC1 ZINC000617912339 365833077 /nfs/dbraw/zinc/83/30/77/365833077.db2.gz LIHPGVWQIZYSGC-MFKMUULPSA-N 0 0 257.330 0.459 10 0 CCAERN C[C@@H](NS(=O)(=O)c1ccnn1C)[C@@H]1CCCO1 ZINC000408239809 137854799 /nfs/dbraw/zinc/85/47/99/137854799.db2.gz DRLYAGOFDDWPKW-BDAKNGLRSA-N 0 0 259.331 0.266 10 0 CCAERN CCN(CC1CC1)S(=O)(=O)N1CC[C@@H](CCO)C1 ZINC000408244571 137855532 /nfs/dbraw/zinc/85/55/32/137855532.db2.gz PGOJKRARKKGROJ-LBPRGKRZSA-N 0 0 276.402 0.667 10 0 CCAERN Cc1cc(CS(=O)(=O)NC[C@H]2CCCC[C@H]2O)no1 ZINC000085988556 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CCc1nc2n(n1)C[C@@H](NC(=O)c1c[nH]nc1C)CC2 ZINC000172258994 136860309 /nfs/dbraw/zinc/86/03/09/136860309.db2.gz ZRSSHQCKMCQSNS-VIFPVBQESA-N 0 0 274.328 0.617 10 0 CCAERN Cc1nn(C)c(Cl)c1C(=O)N1CCCN(C)C(=O)C1 ZINC000189759268 136928429 /nfs/dbraw/zinc/92/84/29/136928429.db2.gz WQASDYKXFMRIEK-UHFFFAOYSA-N 0 0 284.747 0.686 10 0 CCAERN CC(C)[C@@H](C)NC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000189928728 136929810 /nfs/dbraw/zinc/92/98/10/136929810.db2.gz WYJJEIVRGMDYHX-SECBINFHSA-N 0 0 253.346 0.951 10 0 CCAERN CCc1nnc(CN2CCCN(CC)C(=O)C2)n1C ZINC000190176251 136930283 /nfs/dbraw/zinc/93/02/83/136930283.db2.gz XNQVVJBOHPEUIT-UHFFFAOYSA-N 0 0 265.361 0.432 10 0 CCAERN CN(C)C(=O)C1(C(=O)NC[C@H]2CCCC[C@H]2O)CC1 ZINC000408273752 137858821 /nfs/dbraw/zinc/85/88/21/137858821.db2.gz SJOXJAHMKNKBLR-GHMZBOCLSA-N 0 0 268.357 0.522 10 0 CCAERN CNC(=O)[C@@H]1CN(C(=O)CCc2cscn2)CCO1 ZINC000183507143 136899894 /nfs/dbraw/zinc/89/98/94/136899894.db2.gz SGBXCDHVNOCMAO-JTQLQIEISA-N 0 0 283.353 0.049 10 0 CCAERN CCN(CC1CC1)S(=O)(=O)N[C@@H](C(=O)NC)C(C)C ZINC000183985619 136902413 /nfs/dbraw/zinc/90/24/13/136902413.db2.gz HJIIPPZENIOCMU-LLVKDONJSA-N 0 0 291.417 0.323 10 0 CCAERN COC(=O)C1(CNC(=O)N[C@H](C)[C@@H]2CCCO2)CC1 ZINC000186582750 136912624 /nfs/dbraw/zinc/91/26/24/136912624.db2.gz ANGCNZJFPPYZTF-ZJUUUORDSA-N 0 0 270.329 0.806 10 0 CCAERN CCOC(=O)c1coc(N2CCO[C@@H](CO)C2)n1 ZINC000228319216 136957787 /nfs/dbraw/zinc/95/77/87/136957787.db2.gz WFOWPVYBZVIGDZ-MRVPVSSYSA-N 0 0 256.258 0.049 10 0 CCAERN CNC(=O)[C@@H]1CCCN1C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000246141045 136976455 /nfs/dbraw/zinc/97/64/55/136976455.db2.gz POZPETWUQQQUEQ-NNYUYHANSA-N 0 0 295.383 0.720 10 0 CCAERN C[C@@H]1CN(C(=O)NCCC(C)(C)C)C[C@@H](C(N)=O)O1 ZINC000408276256 137859387 /nfs/dbraw/zinc/85/93/87/137859387.db2.gz HRSZAPCBIPKZMU-ZJUUUORDSA-N 0 0 271.361 0.707 10 0 CCAERN C[C@H]1C(=O)NCCCN1C(=O)NCC[C@@H]1CCCCO1 ZINC000191553480 136937230 /nfs/dbraw/zinc/93/72/30/136937230.db2.gz FJOGUOMOJAIXET-RYUDHWBXSA-N 0 0 283.372 0.866 10 0 CCAERN Cc1cc(NC(=O)N2CCCN(C)C(=O)C2)no1 ZINC000191787005 136938783 /nfs/dbraw/zinc/93/87/83/136938783.db2.gz RJAXTXXLLLODKU-UHFFFAOYSA-N 0 0 252.274 0.679 10 0 CCAERN CC[C@H](C)[C@H](NC(N)=O)C(=O)N[C@@H]1CCCCC[C@H]1O ZINC000252844586 137003526 /nfs/dbraw/zinc/00/35/26/137003526.db2.gz BVLFBCLCXANFDG-QCNOEVLYSA-N 0 0 285.388 0.879 10 0 CCAERN CC[C@H](CCO)NC(=O)[C@@H](NC(N)=O)[C@@H](C)CC ZINC000252725631 137003856 /nfs/dbraw/zinc/00/38/56/137003856.db2.gz XINYCAXDOATRFC-AEJSXWLSSA-N 0 0 259.350 0.347 10 0 CCAERN COCCN1C[C@H](C(=O)N[C@@H]2CCCCC[C@H]2O)CC1=O ZINC000252860584 137004281 /nfs/dbraw/zinc/00/42/81/137004281.db2.gz JTRVRIZGGZKGCQ-JHJVBQTASA-N 0 0 298.383 0.291 10 0 CCAERN [NH3+]C[C@H]1CCC[C@H]1C(=O)NC1(c2nnn[n-]2)CCCC1 ZINC000261683392 137015445 /nfs/dbraw/zinc/01/54/45/137015445.db2.gz HCMAZPZMBXNPJW-NXEZZACHSA-N 0 0 278.360 0.460 10 0 CCAERN CC[C@@H](C)[C@@H](NC(N)=O)C(=O)Nc1n[nH]c(C)n1 ZINC000086507455 179303643 /nfs/dbraw/zinc/30/36/43/179303643.db2.gz 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/nfs/dbraw/zinc/08/08/68/137080868.db2.gz UTXZPYNSLKATLK-SRVKXCTJSA-N 0 0 281.356 0.474 10 0 CCAERN C[C@H](Cn1cncn1)NC(=O)N[C@H]1CCO[C@@H]1C1CC1 ZINC000332759933 137080963 /nfs/dbraw/zinc/08/09/63/137080963.db2.gz WGSOWEJXJHYMAJ-ADEWGFFLSA-N 0 0 279.344 0.533 10 0 CCAERN O=C(NC[C@@H]1CC[C@H](O)C1)N[C@H]1CCc2ncnn2C1 ZINC000408297529 137862570 /nfs/dbraw/zinc/86/25/70/137862570.db2.gz INMLUNHIEKDLPP-VWYCJHECSA-N 0 0 279.344 0.053 10 0 CCAERN CC(C)[C@@](C)(O)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000408301286 137863128 /nfs/dbraw/zinc/86/31/28/137863128.db2.gz QWXYPPOOHSNOEQ-JOYOIKCWSA-N 0 0 252.318 0.116 10 0 CCAERN CC1CC(NS(=O)(=O)N2C[C@H](C)OC[C@H]2C)C1 ZINC000408300548 137863349 /nfs/dbraw/zinc/86/33/49/137863349.db2.gz IKONQWGRCDFYPS-WIFZPCQCSA-N 0 0 262.375 0.729 10 0 CCAERN COC[C@H]1C[C@H](OC)CN1S(=O)(=O)c1cccnc1 ZINC000343179946 137119719 /nfs/dbraw/zinc/11/97/19/137119719.db2.gz QEACIQVPRBBIAB-MNOVXSKESA-N 0 0 286.353 0.506 10 0 CCAERN CCc1onc(C)c1C(=O)N1CCO[C@H](CO)C1 ZINC000408317575 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/nfs/dbraw/zinc/69/14/53/354691453.db2.gz TZHFOAXQPHNKSL-LURJTMIESA-N 0 0 277.264 0.619 10 0 CCAERN C[C@@H]1OCC[C@H]1NC(=O)N1CCOC[C@H]1C1CC1 ZINC000332773580 354733917 /nfs/dbraw/zinc/73/39/17/354733917.db2.gz JKZGGTFCXWMBKG-WCQGTBRESA-N 0 0 254.330 0.984 10 0 CCAERN O=S(=O)([C@@H]1C[C@@H]2CC[C@H]1C2)N1CCC[C@H](O)C1 ZINC000333095576 354753479 /nfs/dbraw/zinc/75/34/79/354753479.db2.gz BQZFJXMLEUCKBH-NOOOWODRSA-N 0 0 259.371 0.962 10 0 CCAERN O=C(C(=O)N1CCN(C2CCC2)CC1)N1C[C@H]2CCC[C@@H]21 ZINC000334524726 354887653 /nfs/dbraw/zinc/88/76/53/354887653.db2.gz DUGLNMLCCHPBNL-OCCSQVGLSA-N 0 0 291.395 0.694 10 0 CCAERN C[C@H]1CN(C(=O)C(=O)N(C)[C@H]2CCSC2)CCS1 ZINC000334511591 354881006 /nfs/dbraw/zinc/88/10/06/354881006.db2.gz MZEIFURZBJECSO-UWVGGRQHSA-N 0 0 288.438 0.914 10 0 CCAERN C[C@H]1C(=O)NCCCN1C(=O)N[C@@H]1CCc2c[nH]nc2C1 ZINC000336050814 355081459 /nfs/dbraw/zinc/08/14/59/355081459.db2.gz JGOHNGCBTVIUQQ-GXSJLCMTSA-N 0 0 291.355 0.187 10 0 CCAERN CCNC(=O)CN(CC)C(=O)NCCn1cc(C)cn1 ZINC000172352868 188797242 /nfs/dbraw/zinc/79/72/42/188797242.db2.gz UMKDUJWNXILQHE-UHFFFAOYSA-N 0 0 281.360 0.359 10 0 CCAERN CCCCOC[C@@H](O)CN1CCS(=O)(=O)C[C@H]1C ZINC000336784430 355157709 /nfs/dbraw/zinc/15/77/09/355157709.db2.gz MXQNSBCRFZUCAA-NEPJUHHUSA-N 0 0 279.402 0.283 10 0 CCAERN COc1ccccc1O[C@H](C)CNC(=O)[C@H]1CNC(=O)C1 ZINC000172906754 188833322 /nfs/dbraw/zinc/83/33/22/188833322.db2.gz VUVKEMVGJKWPIW-GHMZBOCLSA-N 0 0 292.335 0.715 10 0 CCAERN C[C@H](C(F)(F)F)S(=O)(=O)N1CC[C@@H](CO)C1 ZINC000336355014 213204807 /nfs/dbraw/zinc/20/48/07/213204807.db2.gz YQARBQYEXFAUKI-RNFRBKRXSA-N 0 0 261.265 0.581 10 0 CCAERN COC(=O)[C@@]1(C)CCN(C(=O)C[C@@H]2CCCCC(=O)N2)C1 ZINC000407960279 137816227 /nfs/dbraw/zinc/81/62/27/137816227.db2.gz VJVQZRUANFRKTQ-NHYWBVRUSA-N 0 0 296.367 0.847 10 0 CCAERN CO[C@]1(C(=O)N(C)C[C@H]2CCC[C@H]2O)CCOC1 ZINC000353449915 356224977 /nfs/dbraw/zinc/22/49/77/356224977.db2.gz OKECQFKNUIAUQO-NQBHXWOUSA-N 0 0 257.330 0.411 10 0 CCAERN C[C@@H]1CN(CC(=O)N2CCC[C@@H](C(N)=O)C2)CCC1=O ZINC000328723410 202029419 /nfs/dbraw/zinc/02/94/19/202029419.db2.gz YAGVLZFCMXKCFH-GHMZBOCLSA-N 0 0 281.356 0.671 10 0 CCAERN O=S(=O)(CC[C@@H]1CCOC1)N1CCc2cncnc2C1 ZINC000328774134 202051567 /nfs/dbraw/zinc/05/15/67/202051567.db2.gz RYJFZVLCYZHTSZ-NSHDSACASA-N 0 0 297.380 0.591 10 0 CCAERN O=C([C@H]1CCCO1)N1CCC(c2ccnn2CCO)CC1 ZINC000328829484 202075320 /nfs/dbraw/zinc/07/53/20/202075320.db2.gz JIYHDTHRFSILBV-CQSZACIVSA-N 0 0 293.367 0.760 10 0 CCAERN C[C@@H]1CC(=O)N[C@H](C(=O)N2C[C@H](F)C[C@@H]2CO)C1 ZINC000329013242 202151402 /nfs/dbraw/zinc/15/14/02/202151402.db2.gz PEXXEUKBSYUGQM-JLIMGVALSA-N 0 0 258.293 0.673 10 0 CCAERN C[C@H]1CC[C@@H](C(=O)N2CCC[C@H]2Cn2ccnn2)O1 ZINC000329020783 202153533 /nfs/dbraw/zinc/15/35/33/202153533.db2.gz LZCUQDWIKGFOAG-SRVKXCTJSA-N 0 0 264.329 0.837 10 0 CCAERN C[C@@H]1CC[C@H](C(=O)N2CCC[C@H]2Cn2ccnn2)O1 ZINC000329020781 202154306 /nfs/dbraw/zinc/15/43/06/202154306.db2.gz LZCUQDWIKGFOAG-GRYCIOLGSA-N 0 0 264.329 0.837 10 0 CCAERN CO[C@@H]1C[C@@H](CO)N(C(=O)C[C@H]2CCC(=O)[C@H]2C)C1 ZINC000329053703 202170585 /nfs/dbraw/zinc/17/05/85/202170585.db2.gz XEMCHTDPPFFUSN-WHOHXGKFSA-N 0 0 269.341 0.600 10 0 CCAERN Cc1nc([C@@H]2CCCN2S(=O)(=O)[C@@H]2CCOC2)no1 ZINC000329146878 202205998 /nfs/dbraw/zinc/20/59/98/202205998.db2.gz ATHRYSIOGXTAMA-ZJUUUORDSA-N 0 0 287.341 0.634 10 0 CCAERN Cc1cc([C@H]2CCCN(C(=O)[C@@H](C)NC(N)=O)C2)[nH]n1 ZINC000360143347 356958372 /nfs/dbraw/zinc/95/83/72/356958372.db2.gz XZZLEHREAMZENT-ZJUUUORDSA-N 0 0 279.344 0.481 10 0 CCAERN C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCN(C)C(=O)C1 ZINC000363992456 357075962 /nfs/dbraw/zinc/07/59/62/357075962.db2.gz ASQXRKTWMTXZFH-SNVBAGLBSA-N 0 0 299.371 0.590 10 0 CCAERN CCCCN1CCOC[C@H]1C(=O)N1C[C@H](O)C(C)(C)C1 ZINC000366195630 357191319 /nfs/dbraw/zinc/19/13/19/357191319.db2.gz ACRRQBZNIHMVBV-STQMWFEESA-N 0 0 284.400 0.717 10 0 CCAERN Cc1ccccc1/C=C/C(=O)N1C[C@H](O)C[C@H]1CO ZINC000366638016 357228284 /nfs/dbraw/zinc/22/82/84/357228284.db2.gz CCDQGVOJIOZWRU-HYLRALAJSA-N 0 0 261.321 0.962 10 0 CCAERN COC(=O)[C@@H]1C[C@H](OC)CN1C(=O)[C@@H]1O[C@@H](C)C[C@@H]1C ZINC000368523500 357333600 /nfs/dbraw/zinc/33/36/00/357333600.db2.gz UUSZWXDLYCTSNG-UHFZAUJKSA-N 0 0 285.340 0.589 10 0 CCAERN COC[C@@H](C)S(=O)(=O)N1CCCC[C@H](CO)C1 ZINC000371256144 357368375 /nfs/dbraw/zinc/36/83/75/357368375.db2.gz PWEFSXLUJXRFGP-MNOVXSKESA-N 0 0 265.375 0.446 10 0 CCAERN CN1N=C(C(=O)N2CCCC[C@@H]2c2nc[nH]n2)CCC1=O ZINC000181179103 283256735 /nfs/dbraw/zinc/25/67/35/283256735.db2.gz BCVFIGQXAOFNLE-SNVBAGLBSA-N 0 0 290.327 0.467 10 0 CCAERN CNC(=O)[C@@H]1CCCN1C(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000246187018 290560789 /nfs/dbraw/zinc/56/07/89/290560789.db2.gz SVNDMJWPDIECTN-RNJOBUHISA-N 0 0 295.383 0.864 10 0 CCAERN Cc1ccc(S(=O)(=O)N2CC(n3ccnn3)C2)s1 ZINC000378547715 357693103 /nfs/dbraw/zinc/69/31/03/357693103.db2.gz YKUFDHNWUWRCPQ-UHFFFAOYSA-N 0 0 284.366 0.894 10 0 CCAERN CCOC(=O)c1csc(N2CCC[C@](O)(C(N)=O)C2)n1 ZINC000380748056 357705372 /nfs/dbraw/zinc/70/53/72/357705372.db2.gz NARGQQDEIQNSPH-GFCCVEGCSA-N 0 0 299.352 0.136 10 0 CCAERN CC(C)(C)CCS(=O)(=O)N1CC[C@H]2OCCN[C@H]2C1 ZINC000404111339 357816132 /nfs/dbraw/zinc/81/61/32/357816132.db2.gz DQEVMUHKMUJMQK-NWDGAFQWSA-N 0 0 290.429 0.815 10 0 CCAERN NS(=O)(=O)c1ccccc1N1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398882713 357779676 /nfs/dbraw/zinc/77/96/76/357779676.db2.gz HHEJYZRRQIHGFY-SDDRHHMPSA-N 0 0 296.392 0.931 10 0 CCAERN COCCN(C)C(=O)N[C@H]1CCC(=O)NC12CCC2 ZINC000407983300 357850846 /nfs/dbraw/zinc/85/08/46/357850846.db2.gz OQNRRZPKOAHUKL-JTQLQIEISA-N 0 0 269.345 0.476 10 0 CCAERN CNC(=O)NC1CN(C(=O)NCC2(SC)CC2)C1 ZINC000407985329 357851725 /nfs/dbraw/zinc/85/17/25/357851725.db2.gz GTXVMWKQYCNDCJ-UHFFFAOYSA-N 0 0 272.374 0.205 10 0 CCAERN Cc1cc(NC(=O)N[C@@H](C)C(=O)N2CCOCC2)n(C)n1 ZINC000407992179 357855425 /nfs/dbraw/zinc/85/54/25/357855425.db2.gz BRUKGGWMOVJXFA-JTQLQIEISA-N 0 0 295.343 0.097 10 0 CCAERN C[C@H]1CN(C)CCN1C(=O)CCC(=O)NC1CCCC1 ZINC000407997024 357859276 /nfs/dbraw/zinc/85/92/76/357859276.db2.gz URIRYQWIAVOCSZ-LBPRGKRZSA-N 0 0 281.400 0.988 10 0 CCAERN C[C@@H]1N(C[C@@H](O)CN2CCCC2=O)CCOC1(C)C ZINC000407951604 357835635 /nfs/dbraw/zinc/83/56/35/357835635.db2.gz ZQGLNUBOBIOYTL-NWDGAFQWSA-N 0 0 270.373 0.469 10 0 CCAERN COc1ncc(CN2CC[S@](=O)[C@H](C)C2)c(C)n1 ZINC000407956770 357837562 /nfs/dbraw/zinc/83/75/62/357837562.db2.gz LNMVYCFWIUXRLI-LZVRBXCZSA-N 0 0 269.370 0.746 10 0 CCAERN CC(C)[C@@H](NC(=O)C(C)(C)C)C(=O)N1CC(O)C1 ZINC000407957804 357838753 /nfs/dbraw/zinc/83/87/53/357838753.db2.gz MNVLRFYRFWQZIY-SNVBAGLBSA-N 0 0 256.346 0.376 10 0 CCAERN CCS(=O)(=O)N(C)CC(=O)N1CCCC[C@H]1C(F)F ZINC000407961619 357840275 /nfs/dbraw/zinc/84/02/75/357840275.db2.gz JCWBXSCWNZVVLM-VIFPVBQESA-N 0 0 298.355 0.914 10 0 CCAERN COC(=O)[C@]1(C)CN(C(=O)[C@@H]2CCCN2C(N)=O)C[C@H]1C ZINC000407967003 357843268 /nfs/dbraw/zinc/84/32/68/357843268.db2.gz OWNJLOSUSPWEMX-ISTVAULSSA-N 0 0 297.355 0.187 10 0 CCAERN C[C@@H]1CN(C[C@@H](O)CN2C(=O)CC(C)(C)C2=O)C[C@H](C)O1 ZINC000407970770 357845784 /nfs/dbraw/zinc/84/57/84/357845784.db2.gz DAUYJVGTUWKDOM-GRYCIOLGSA-N 0 0 298.383 0.242 10 0 CCAERN CNC(=O)NC1CN(c2ncc(Br)cn2)C1 ZINC000407975234 357847187 /nfs/dbraw/zinc/84/71/87/357847187.db2.gz HUOWFDRFKVLPKM-UHFFFAOYSA-N 0 0 286.133 0.357 10 0 CCAERN C[C@@]1(CO)CCC[C@H]1NS(=O)(=O)CC1CCOCC1 ZINC000408009529 357865508 /nfs/dbraw/zinc/86/55/08/357865508.db2.gz RCHOQWBEEGXQID-OLZOCXBDSA-N 0 0 291.413 0.884 10 0 CCAERN CC[C@@H]1CN(C(=O)c2cccc3c2OCC(=O)N3)C[C@@H]1O ZINC000408017882 357869174 /nfs/dbraw/zinc/86/91/74/357869174.db2.gz OPJAKGQLTJDSDO-SKDRFNHKSA-N 0 0 290.319 0.860 10 0 CCAERN CC[C@H](COC)NC(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000408020641 357871438 /nfs/dbraw/zinc/87/14/38/357871438.db2.gz DMOZIEOHTVUAJS-JHJVBQTASA-N 0 0 285.388 0.526 10 0 CCAERN CC[C@H]1C[C@@H](CC(=O)N2CCO[C@H](C)[C@H]2C(N)=O)CCO1 ZINC000408060027 357895005 /nfs/dbraw/zinc/89/50/05/357895005.db2.gz DVXAYRLANOKTLH-UHXUPSOCSA-N 0 0 298.383 0.683 10 0 CCAERN CN1CCOC[C@H]1C(=O)Nc1ccc2c(c1)OCO2 ZINC000408026763 357873972 /nfs/dbraw/zinc/87/39/72/357873972.db2.gz IUWGIWGJDVSFCU-JTQLQIEISA-N 0 0 264.281 0.684 10 0 CCAERN C[C@H]1CC(CNC(=O)c2ccc(=O)n(C)n2)C[C@H](C)O1 ZINC000408026860 357874048 /nfs/dbraw/zinc/87/40/48/357874048.db2.gz HIJHQPQFUAGUDU-UWVGGRQHSA-N 0 0 279.340 0.714 10 0 CCAERN C[C@@H]1OCC[C@@H]1NS(=O)(=O)N1CCCC[C@H]1C ZINC000408027983 357875154 /nfs/dbraw/zinc/87/51/54/357875154.db2.gz NHYBVFYAIPRTDD-VWYCJHECSA-N 0 0 262.375 0.873 10 0 CCAERN CO[C@H](C)CS(=O)(=O)N1CC[C@@H](c2nc(C)no2)C1 ZINC000408030491 357875562 /nfs/dbraw/zinc/87/55/62/357875562.db2.gz LEIFRHDUYMSRNO-PSASIEDQSA-N 0 0 289.357 0.532 10 0 CCAERN CCN(C)S(=O)(=O)N1CC[C@H](c2nc(C)no2)C1 ZINC000408031250 357876720 /nfs/dbraw/zinc/87/67/20/357876720.db2.gz LRXGEWRVDBPDRJ-VIFPVBQESA-N 0 0 274.346 0.364 10 0 CCAERN CNC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CCO[C@H]2C)C1 ZINC000408033562 357877028 /nfs/dbraw/zinc/87/70/28/357877028.db2.gz NUPYMDHUBMJKSH-HBNTYKKESA-N 0 0 269.345 0.331 10 0 CCAERN CCC1(C(=O)N[C@@H](C)C(=O)N2CCOCC2)CCC1 ZINC000408041661 357882760 /nfs/dbraw/zinc/88/27/60/357882760.db2.gz NMPFHCOTCFGBJJ-NSHDSACASA-N 0 0 268.357 0.930 10 0 CCAERN COC(=O)[C@H](C)N1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C ZINC000408043152 357883304 /nfs/dbraw/zinc/88/33/04/357883304.db2.gz VNXCLECUDWEPLZ-AXFHLTTASA-N 0 0 269.345 0.424 10 0 CCAERN C[C@H]1CCN(C(=O)[C@@H]2CCO[C@H]2c2nccn2C)C[C@@H]1O ZINC000408042643 357883354 /nfs/dbraw/zinc/88/33/54/357883354.db2.gz HTASZUXNEBFKCD-QNWHQSFQSA-N 0 0 293.367 0.727 10 0 CCAERN CC(=O)N1CCC[C@](O)(C(=O)N(C)C[C@H]2CCCCO2)C1 ZINC000408046756 357886031 /nfs/dbraw/zinc/88/60/31/357886031.db2.gz DKOOZTHZEDBNIT-UKRRQHHQSA-N 0 0 298.383 0.387 10 0 CCAERN CC(=O)N1CCC[C@](O)(C(=O)NC[C@@H]2C[C@@H]2C)C1 ZINC000408046649 357886349 /nfs/dbraw/zinc/88/63/49/357886349.db2.gz MLUVYDZOTWYYBJ-XHVZSJERSA-N 0 0 254.330 0.132 10 0 CCAERN 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ZINC000708533808 955000375 /nfs/dbraw/zinc/00/03/75/955000375.db2.gz RCLKXUIRZLVSJP-YPMHNXCESA-N 0 0 276.336 0.955 10 0 CCAERN O=C([O-])CC[C@H]1CCCC[N@@H+]1CCn1cnnn1 ZINC000712568086 955065530 /nfs/dbraw/zinc/06/55/30/955065530.db2.gz BNACMIZDVXMCNS-SNVBAGLBSA-N 0 0 253.306 0.392 10 0 CCAERN COC(=O)CC[N@H+](CCn1cc(Cl)cn1)CC(=O)[O-] ZINC000715789051 955120328 /nfs/dbraw/zinc/12/03/28/955120328.db2.gz OVGKQHHDOSONJR-UHFFFAOYSA-N 0 0 289.719 0.486 10 0 CCAERN O=C([O-])CS(=O)(=O)CC[NH2+]CC[C@@H]1CC[C@H]2C[C@H]21 ZINC000716891222 955136998 /nfs/dbraw/zinc/13/69/98/955136998.db2.gz RCENZFBMHDHZNG-DCAQKATOSA-N 0 0 275.370 0.512 10 0 CCAERN CC(C)[C@H](CNC(=O)N1CC[NH+]2CCC1CC2)C(=O)[O-] ZINC000722784571 955197817 /nfs/dbraw/zinc/19/78/17/955197817.db2.gz CMXOSWIFEPHQEV-LBPRGKRZSA-N 0 0 283.372 0.833 10 0 CCAERN O=C([O-])[C@H]1CCC[N@@H+]([C@@H]2CCN(C3CC3)C2=O)C1 ZINC000694774773 968949420 /nfs/dbraw/zinc/94/94/20/968949420.db2.gz XOKPWDWHPSISCM-GXSJLCMTSA-N 0 0 252.314 0.546 10 0 CCAERN 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LEFBJGDJJSNQNC-BDAKNGLRSA-N 0 0 274.342 0.329 10 0 CCAERN CN1C[C@@H](C[N@H+](C)C2(C(=O)[O-])CCCC2)OC1=O ZINC000690401761 976290467 /nfs/dbraw/zinc/29/04/67/976290467.db2.gz HSTXQJJKYQWCPL-VIFPVBQESA-N 0 0 256.302 0.766 10 0 CCAERN CC(C)C[N@H+](CCCN1CCOC1=O)CC(=O)[O-] ZINC000690481308 976303374 /nfs/dbraw/zinc/30/33/74/976303374.db2.gz LIVUEPJLRRWYFY-UHFFFAOYSA-N 0 0 258.318 0.871 10 0 CCAERN O=C([O-])C[C@@H](CNC(=O)[C@@H]1CC12CC[NH2+]CC2)C1CC1 ZINC000690499214 976311292 /nfs/dbraw/zinc/31/12/92/976311292.db2.gz FTABFNGBSWMWNN-RYUDHWBXSA-N 0 0 280.368 0.993 10 0 CCAERN Cc1cc(C[N@@H+]2CC[C@@H](CC(N)=O)C2)oc1C(=O)[O-] ZINC000690783133 976332844 /nfs/dbraw/zinc/33/28/44/976332844.db2.gz HWIWUMTYDYUCFD-VIFPVBQESA-N 0 0 266.297 0.984 10 0 CCAERN CCC[C@@](C)([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000690814412 976336744 /nfs/dbraw/zinc/33/67/44/976336744.db2.gz XEGWSPVQZUZVJT-CMPLNLGQSA-N 0 0 292.401 0.501 10 0 CCAERN CC[C@](C)([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000690807878 976336945 /nfs/dbraw/zinc/33/69/45/976336945.db2.gz FGJDALQNZXUNSB-KOLCDFICSA-N 0 0 278.374 0.111 10 0 CCAERN CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCCSCC(=O)[O-] ZINC000690847498 976339303 /nfs/dbraw/zinc/33/93/03/976339303.db2.gz AGQWECHMJHATAK-BDAKNGLRSA-N 0 0 260.359 0.309 10 0 CCAERN C[N@H+](CCc1ccccc1C(=O)[O-])[C@@H]1CCNC1=O ZINC000691471294 976357014 /nfs/dbraw/zinc/35/70/14/976357014.db2.gz ORSBZHDOKQYDSF-GFCCVEGCSA-N 0 0 262.309 0.748 10 0 CCAERN O=C([O-])CC1(NC(=O)[C@@H]2CCC[NH2+]C2)CCOCC1 ZINC000692043520 976397590 /nfs/dbraw/zinc/39/75/90/976397590.db2.gz GWBAOQBJYBURMO-SNVBAGLBSA-N 0 0 270.329 0.126 10 0 CCAERN CN(CC1C[NH+](C)C1)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000692191087 976404396 /nfs/dbraw/zinc/40/43/96/976404396.db2.gz HYVITAVOAOOCBS-RYUDHWBXSA-N 0 0 268.357 0.897 10 0 CCAERN O=C([O-])CC[N@H+](Cc1ccccc1)C[C@@H](O)CO ZINC000692457013 976489750 /nfs/dbraw/zinc/48/97/50/976489750.db2.gz YOSUJADAUMVMMO-GFCCVEGCSA-N 0 0 253.298 0.317 10 0 CCAERN COC1(C[N@@H+]2C[C@H](O)C[C@H](C(=O)[O-])C2)CCCC1 ZINC000692464003 976494897 /nfs/dbraw/zinc/49/48/97/976494897.db2.gz WVKDANMUQDMWJL-WDEREUQCSA-N 0 0 257.330 0.713 10 0 CCAERN CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)COCC(=O)[O-])C1 ZINC000692964466 976554524 /nfs/dbraw/zinc/55/45/24/976554524.db2.gz RDQKGFGUBINNJT-JTQLQIEISA-N 0 0 272.345 0.324 10 0 CCAERN CN(C(=O)C[C@@H]1CSCC[NH2+]1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000693015045 976566023 /nfs/dbraw/zinc/56/60/23/976566023.db2.gz NMOPLYOHUVGQEE-BBBLOLIVSA-N 0 0 272.370 0.403 10 0 CCAERN C[C@@H](CC[NH+](C)C)NC(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC000693050746 976583164 /nfs/dbraw/zinc/58/31/64/976583164.db2.gz JAOYJELPWQCNPH-GUBZILKMSA-N 0 0 257.334 0.489 10 0 CCAERN CC[C@@](COC)([NH2+]CCOC[C@H]1CCCO1)C(=O)[O-] ZINC000693116775 976590977 /nfs/dbraw/zinc/59/09/77/976590977.db2.gz PKEDJWQZZAFRKP-YPMHNXCESA-N 0 0 275.345 0.651 10 0 CCAERN CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)N2CC[C@@H](C(=O)[O-])C2)C1 ZINC000693963759 976660699 /nfs/dbraw/zinc/66/06/99/976660699.db2.gz LCCZFLWECFGHQF-GHMZBOCLSA-N 0 0 283.372 0.975 10 0 CCAERN [NH3+][C@H](CCC(=O)[O-])C(=O)NC[C@@H]1CCC[C@H]2C[C@H]21 ZINC000694257771 976688535 /nfs/dbraw/zinc/68/85/35/976688535.db2.gz VNQTYTODTRSZMH-UKKRHICBSA-N 0 0 254.330 0.731 10 0 CCAERN C[C@@H]1[C@@H](C(=O)[O-])CC[N@@H+]1[C@H]1CCN(C2CC2)C1=O ZINC000694774229 976721021 /nfs/dbraw/zinc/72/10/21/976721021.db2.gz DUMTXSGGZMRFOZ-MIMYLULJSA-N 0 0 252.314 0.545 10 0 CCAERN O=C([O-])C1CC[NH+]([C@H]2CCN(C3CC3)C2=O)CC1 ZINC000694774315 976721225 /nfs/dbraw/zinc/72/12/25/976721225.db2.gz KVIOSJOZUTYLFX-NSHDSACASA-N 0 0 252.314 0.546 10 0 CCAERN C[C@@H]1C[C@H](C(=O)N[C@H]2CC=C(C(=O)[O-])C2)CC[NH2+]1 ZINC000694870565 976726888 /nfs/dbraw/zinc/72/68/88/976726888.db2.gz CNBDSKSKHDLLPU-KKZNHRDASA-N 0 0 252.314 0.664 10 0 CCAERN CC[C@@]1(C(=O)N[C@H]2CC=C(C(=O)[O-])C2)CC[NH2+]C1 ZINC000694874873 976729927 /nfs/dbraw/zinc/72/99/27/976729927.db2.gz WFVRRGZPYQOQLX-GXFFZTMASA-N 0 0 252.314 0.666 10 0 CCAERN CCN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])[C@@H]1CC[N@H+](CC)C1 ZINC000695280385 976789524 /nfs/dbraw/zinc/78/95/24/976789524.db2.gz NCPORTUHRDQFPF-MXWKQRLJSA-N 0 0 254.330 0.650 10 0 CCAERN CCN(C(=O)c1cc(C(=O)[O-])no1)[C@H]1CC[N@H+](CC)C1 ZINC000695345759 976793698 /nfs/dbraw/zinc/79/36/98/976793698.db2.gz CWIMEFWPEFSNMN-VIFPVBQESA-N 0 0 281.312 0.929 10 0 CCAERN O=C([O-])C[N@H+](CC[C@@H]1CCS(=O)(=O)C1)C1CC1 ZINC000696770666 976823179 /nfs/dbraw/zinc/82/31/79/976823179.db2.gz DGPZLNKHTXHQIV-SECBINFHSA-N 0 0 261.343 0.360 10 0 CCAERN C[C@H](C[NH2+]Cc1ccoc1C(=O)[O-])S(C)(=O)=O ZINC000697638702 976855228 /nfs/dbraw/zinc/85/52/28/976855228.db2.gz IVVOYVGVVRUTQC-SSDOTTSWSA-N 0 0 261.299 0.501 10 0 CCAERN C[C@@H](CCNC(=O)NCCCCC(=O)[O-])[NH+](C)C ZINC000697830533 976863493 /nfs/dbraw/zinc/86/34/93/976863493.db2.gz UIIVUGSNJTYBAX-JTQLQIEISA-N 0 0 259.350 0.881 10 0 CCAERN O=C([O-])C[C@@H]1C(=O)NCCN1CC[C@H]1CCCCO1 ZINC000699647772 976925224 /nfs/dbraw/zinc/92/52/24/976925224.db2.gz NAYOOWJEMVEGSD-GHMZBOCLSA-N 0 0 270.329 0.221 10 0 CCAERN Cc1csc(=O)n1CC[N@@H+](C)C[C@H](C)C(=O)[O-] ZINC000700214038 976938271 /nfs/dbraw/zinc/93/82/71/976938271.db2.gz DWHKGJYYZJXDFC-QMMMGPOBSA-N 0 0 258.343 0.871 10 0 CCAERN COCCOCC[N@@H+]1CCCC[C@]1(COC)C(=O)[O-] ZINC000701332554 977006589 /nfs/dbraw/zinc/00/65/89/977006589.db2.gz SRMSTYRSZNWXEU-ZDUSSCGKSA-N 0 0 275.345 0.605 10 0 CCAERN CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC000701462135 977015256 /nfs/dbraw/zinc/01/52/56/977015256.db2.gz JGRRZJZLQFHFMS-ZDMBXUJBSA-N 0 0 283.328 0.017 10 0 CCAERN O=C([O-])[C@]12CCC[C@H]1CN(C(=O)C1CC[NH2+]CC1)C2 ZINC000701614054 977030408 /nfs/dbraw/zinc/03/04/08/977030408.db2.gz OURRDEDWIJXIHB-FZMZJTMJSA-N 0 0 266.341 0.699 10 0 CCAERN C[NH+](C)C[C@H](N)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000702387220 977081438 /nfs/dbraw/zinc/08/14/38/977081438.db2.gz KHDGCTAMASDDQB-JTQLQIEISA-N 0 0 269.276 0.351 10 0 CCAERN CO[C@H]1CN(C(=O)CCCC[NH3+])[C@](C)(C(=O)[O-])C1 ZINC000702720369 977103553 /nfs/dbraw/zinc/10/35/53/977103553.db2.gz SPMXCVXQCBWBRE-SKDRFNHKSA-N 0 0 258.318 0.206 10 0 CCAERN CC(C)CC[C@H]([NH3+])C(=O)N[C@]1(C(=O)[O-])CCOC1 ZINC000704447008 977235320 /nfs/dbraw/zinc/23/53/20/977235320.db2.gz UCWMRYMWTGRIGJ-JOYOIKCWSA-N 0 0 258.318 0.110 10 0 CCAERN Cc1cc(C(=O)N(C)CC[N@H+](C)CCO)oc1C(=O)[O-] ZINC000704745925 977251774 /nfs/dbraw/zinc/25/17/74/977251774.db2.gz YCQOCPUPRLUCIV-UHFFFAOYSA-N 0 0 284.312 0.282 10 0 CCAERN C[N@H+]1C[C@H]2CN(C(=O)c3ccnc(C(=O)[O-])c3)C[C@H]2C1 ZINC000705600248 977286496 /nfs/dbraw/zinc/28/64/96/977286496.db2.gz OQTDHPGBDWJPLU-PHIMTYICSA-N 0 0 275.308 0.413 10 0 CCAERN CO[C@]1(C(=O)[O-])CC[N@H+](C[C@@H]2CCCC[C@H]2O)C1 ZINC000705948554 977303094 /nfs/dbraw/zinc/30/30/94/977303094.db2.gz CGNOUJHQKSTTOT-DMDPSCGWSA-N 0 0 257.330 0.713 10 0 CCAERN C[NH+](C)C1CC(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC000706143532 977308451 /nfs/dbraw/zinc/30/84/51/977308451.db2.gz ULCBKQMOSJEEAE-UHFFFAOYSA-N 0 0 287.341 0.084 10 0 CCAERN O=C([O-])[C@@]1(O)CC[N@H+](CCn2cc(Cl)cn2)C1 ZINC000706463158 977329819 /nfs/dbraw/zinc/32/98/19/977329819.db2.gz FJKSOJAOEZWQMK-SNVBAGLBSA-N 0 0 259.693 0.058 10 0 CCAERN C[C@@H](C(=O)N1CCCCCC1)[N@@H+]1CC[C@@](O)(C(=O)[O-])C1 ZINC000706464436 977331334 /nfs/dbraw/zinc/33/13/34/977331334.db2.gz LDQOHZNTVHAZKU-FZMZJTMJSA-N 0 0 284.356 0.299 10 0 CCAERN COc1ccc(C[N@@H+]2CC[C@](O)(C(=O)[O-])C2)cc1 ZINC000706482883 977342338 /nfs/dbraw/zinc/34/23/38/977342338.db2.gz VSGAPONREUYVTA-CYBMUJFWSA-N 0 0 251.282 0.717 10 0 CCAERN CC[C@H]([NH2+]C)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC000709304416 977455535 /nfs/dbraw/zinc/45/55/35/977455535.db2.gz JPTVFFCCAHAECC-CABZTGNLSA-N 0 0 278.308 0.863 10 0 CCAERN O=C([O-])[C@H](CC(F)(F)F)NC(=O)CCC1C[NH2+]C1 ZINC000709404897 977456303 /nfs/dbraw/zinc/45/63/03/977456303.db2.gz WOYZZERMUQFWDQ-ZETCQYMHSA-N 0 0 268.235 0.508 10 0 CCAERN C[N@@H+]1CC[C@@H]1CNC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000710074130 977478145 /nfs/dbraw/zinc/47/81/45/977478145.db2.gz GVUCHJNMNLKUMO-GFCCVEGCSA-N 0 0 277.324 0.888 10 0 CCAERN C[N@@H+]1CC[C@H]1CNC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000710074132 977478295 /nfs/dbraw/zinc/47/82/95/977478295.db2.gz GVUCHJNMNLKUMO-LBPRGKRZSA-N 0 0 277.324 0.888 10 0 CCAERN C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@@H+]2C)C[C@H]1C(=O)[O-] ZINC000710307787 977502052 /nfs/dbraw/zinc/50/20/52/977502052.db2.gz BHVVDOPAPNWJKA-KXUCPTDWSA-N 0 0 255.318 0.053 10 0 CCAERN CC1(C)C[NH2+]C[C@@H]1C(=O)N[C@@H](CC(=O)[O-])C1CC1 ZINC000711270198 977533142 /nfs/dbraw/zinc/53/31/42/977533142.db2.gz BPCFTCZDMKYTPZ-ZJUUUORDSA-N 0 0 254.330 0.602 10 0 CCAERN C[C@@]1(CO)C[C@@H](O)C[N@@H+]1Cc1cc(C(=O)[O-])cs1 ZINC000711389088 977540797 /nfs/dbraw/zinc/54/07/97/977540797.db2.gz KIYFVYPCBYJEND-SKDRFNHKSA-N 0 0 271.338 0.764 10 0 CCAERN O=C([O-])[C@]12CCC[C@H]1[N@H+](CCN1CCCC1=O)CC2 ZINC000711654948 977563440 /nfs/dbraw/zinc/56/34/40/977563440.db2.gz KAFVYVIPYBPOJM-RISCZKNCSA-N 0 0 266.341 0.938 10 0 CCAERN C[N@@H+]1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CCC1(C)C 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527206649 /nfs/dbraw/zinc/20/66/49/527206649.db2.gz IDRQQDNUQONODZ-UHFFFAOYSA-N 0 0 258.343 0.988 10 0 CCAERN O=S1(=O)CC[C@H](CN2CCc3ccc(CO)cc32)C1 ZINC000366108943 527311415 /nfs/dbraw/zinc/31/14/15/527311415.db2.gz OBCIIMPIDRPZCV-GFCCVEGCSA-N 0 0 281.377 0.976 10 0 CCAERN O=S1(=O)C[C@@H](O)[C@H](NCc2ccc(F)c(F)c2)C1 ZINC000049577632 527314677 /nfs/dbraw/zinc/31/46/77/527314677.db2.gz GSAGPWCUKWZOPT-GHMZBOCLSA-N 0 0 277.292 0.212 10 0 CCAERN Nc1ccccc1CS(=O)(=O)N1CCC[C@H]1CO ZINC000050102759 527526765 /nfs/dbraw/zinc/52/67/65/527526765.db2.gz HHKLEGZJYABGGT-NSHDSACASA-N 0 0 270.354 0.555 10 0 CCAERN Nc1ncccc1S(=O)(=O)NCCc1ccccn1 ZINC000050634462 527569652 /nfs/dbraw/zinc/56/96/52/527569652.db2.gz VWNAGIJKJVZWQR-UHFFFAOYSA-N 0 0 278.337 0.580 10 0 CCAERN CCC[C@H](C)NC(=O)N1CCC[C@](O)(C(N)=O)C1 ZINC000671523231 545252348 /nfs/dbraw/zinc/25/23/48/545252348.db2.gz XAYXTVYJRLLBAD-JOYOIKCWSA-N 0 0 257.334 0.197 10 0 CCAERN CC1(C(=O)N2CCO[C@@H](Cn3cccn3)C2)COC1 ZINC000273031956 528851624 /nfs/dbraw/zinc/85/16/24/528851624.db2.gz FNDPDVHJPLXNDG-LLVKDONJSA-N 0 0 265.313 0.147 10 0 CCAERN CC[C@@H]1C(=O)NCCN1C(=O)C1CCC(C(=O)OC)CC1 ZINC000180181056 529265513 /nfs/dbraw/zinc/26/55/13/529265513.db2.gz MAXCIDKDQPJJNS-HTAVTVPLSA-N 0 0 296.367 0.703 10 0 CCAERN CC(C)n1nnnc1CN1CC[S@](=O)[C@H](C)C1 ZINC000408212076 535168760 /nfs/dbraw/zinc/16/87/60/535168760.db2.gz UEZILABGQKXYDU-XLFHBGCDSA-N 0 0 257.363 0.207 10 0 CCAERN CC(C)(C)OC(=O)C[C@@]1(ON)CCS(=O)(=O)C1 ZINC000675052759 545320473 /nfs/dbraw/zinc/32/04/73/545320473.db2.gz DKVKFDRTCIMEDE-JTQLQIEISA-N 0 0 265.331 0.166 10 0 CCAERN CC(C)NC(=O)CNC(=O)N[C@H]1COc2ccccc21 ZINC000058576369 535269273 /nfs/dbraw/zinc/26/92/73/535269273.db2.gz YEFKBVOKMOQIAH-NSHDSACASA-N 0 0 277.324 0.944 10 0 CCAERN CCC(C)(C)NC(=O)CN1C[C@H](OC)C[C@H]1CO ZINC000311120948 535357181 /nfs/dbraw/zinc/35/71/81/535357181.db2.gz OQAGIHQTAMPUQW-WDEREUQCSA-N 0 0 258.362 0.373 10 0 CCAERN CCC[C@H](NC(N)=O)C(=O)N[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000252017772 535700921 /nfs/dbraw/zinc/70/09/21/535700921.db2.gz YJEUQBFZVGHEIY-UKKRHICBSA-N 0 0 269.345 0.507 10 0 CCAERN CCC[C@H]([NH2+]CCS(=O)(=O)CCC)C(=O)[O-] ZINC000230430955 535704809 /nfs/dbraw/zinc/70/48/09/535704809.db2.gz TXXOPBYDKJNXPL-VIFPVBQESA-N 0 0 251.348 0.654 10 0 CCAERN O=S(=O)(N[C@@H]1CCC[C@@H](O)C1)c1cncc(F)c1 ZINC000676844947 545353813 /nfs/dbraw/zinc/35/38/13/545353813.db2.gz CXLMCEWWZUEWRI-NXEZZACHSA-N 0 0 274.317 0.803 10 0 CCAERN CCN(C)C(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000191554208 535738429 /nfs/dbraw/zinc/73/84/29/535738429.db2.gz HSSYNVKSHPVUPT-ZJUUUORDSA-N 0 0 295.339 0.381 10 0 CCAERN CC[C@H](NC(=O)[C@H]1CC[C@H](C)O1)C(=O)N1CCOCC1 ZINC000120291429 535852642 /nfs/dbraw/zinc/85/26/42/535852642.db2.gz XSRKPVMUFCGUOT-SDDRHHMPSA-N 0 0 284.356 0.308 10 0 CCAERN CC[C@@H]1C[C@@H](C(=O)N[C@@H](C)C(=O)N2CCOCC2)CCO1 ZINC000408156382 535865585 /nfs/dbraw/zinc/86/55/85/535865585.db2.gz YPIAJENWSGLWAM-RWMBFGLXSA-N 0 0 298.383 0.555 10 0 CCAERN CC[C@@H]1C[C@@H](C(=O)N[C@@H]2CCSC2)CC(=O)N1 ZINC000408195724 535866008 /nfs/dbraw/zinc/86/60/08/535866008.db2.gz UCPQEZYRDMUUJK-OPRDCNLKSA-N 0 0 256.371 0.913 10 0 CCAERN CC[C@@H]1C[C@H](CC(=O)N2CCO[C@@H](CO)C2)CCO1 ZINC000408172547 535893373 /nfs/dbraw/zinc/89/33/73/535893373.db2.gz XZJURDDAZKHRRB-JHJVBQTASA-N 0 0 271.357 0.801 10 0 CCAERN CC[C@@]1(CO)CCCN(C(=O)[C@@H](C)NC(N)=O)C1 ZINC000408372683 536078213 /nfs/dbraw/zinc/07/82/13/536078213.db2.gz DDIWGMCFCCOVMC-BXKDBHETSA-N 0 0 257.334 0.054 10 0 CCAERN CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)[C@@H]2COCCN2C)C1 ZINC000408038063 536087174 /nfs/dbraw/zinc/08/71/74/536087174.db2.gz JUHMWMHWSYIBAT-UPJWGTAASA-N 0 0 297.399 0.080 10 0 CCAERN CN(C)S(=O)(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000128406702 536091679 /nfs/dbraw/zinc/09/16/79/536091679.db2.gz PRFLFQBTUPAQBI-NSHDSACASA-N 0 0 299.400 0.184 10 0 CCAERN CN[C@H](C(=O)N[C@H](C)CC1CC1)c1cnn(C)c1 ZINC000262491979 536386510 /nfs/dbraw/zinc/38/65/10/536386510.db2.gz HTONUMWVMUZYHQ-SKDRFNHKSA-N 0 0 250.346 0.985 10 0 CCAERN CN1CCOC[C@H]1C(=O)N[C@@H]1CCOC(C)(C)C1 ZINC000408040889 536431379 /nfs/dbraw/zinc/43/13/79/536431379.db2.gz DPPMHKHBWUXKOC-MNOVXSKESA-N 0 0 256.346 0.391 10 0 CCAERN Cc1cccn2cc(CN3C[C@H](O)C[C@@H]3CO)nc12 ZINC000680886806 545437386 /nfs/dbraw/zinc/43/73/86/545437386.db2.gz QETATHJFCYREOV-CHWSQXEVSA-N 0 0 261.325 0.570 10 0 CCAERN Nc1ccccc1S(=O)(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000681027690 545440296 /nfs/dbraw/zinc/44/02/96/545440296.db2.gz IAVOZDVZQMYTRK-VHSXEESVSA-N 0 0 270.354 0.851 10 0 CCAERN O=C(N[C@@H]1CCC[C@@H](O)C1)[C@H]1CCCCS1(=O)=O ZINC000681241581 545446794 /nfs/dbraw/zinc/44/67/94/545446794.db2.gz KWWABUHAGPARMY-GMTAPVOTSA-N 0 0 275.370 0.373 10 0 CCAERN CN1C[C@@H](CNS(=O)(=O)c2ccccc2F)CC1=O ZINC000681820425 545463903 /nfs/dbraw/zinc/46/39/03/545463903.db2.gz HDQNCPOKPHUZMA-SECBINFHSA-N 0 0 286.328 0.582 10 0 CCAERN Cc1n[nH]c(C)c1CC(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000682461758 545479885 /nfs/dbraw/zinc/47/98/85/545479885.db2.gz JTLVUAPZVXYMMQ-WDEREUQCSA-N 0 0 251.330 0.989 10 0 CCAERN COC(=O)[C@H](C)[C@@H](C)n1cc(S(C)(=O)=O)cn1 ZINC000725250423 567909182 /nfs/dbraw/zinc/90/91/82/567909182.db2.gz FPWVVCGAOWMPEU-HTQZYQBOSA-N 0 0 260.315 0.657 10 0 CCAERN Cc1cc(C(=O)N2CCC[C@@](O)(C(N)=O)C2)c(C)s1 ZINC000394028788 581157693 /nfs/dbraw/zinc/15/76/93/581157693.db2.gz GYFRUPDUJCVNQF-ZDUSSCGKSA-N 0 0 282.365 0.817 10 0 CCAERN COC(=O)[C@@H]1CN(C(=O)Cc2cnn(C)c2)C[C@@H]1C ZINC000755546277 581645086 /nfs/dbraw/zinc/64/50/86/581645086.db2.gz URBFNBPNGHSDLB-GXSJLCMTSA-N 0 0 265.313 0.230 10 0 CCAERN COC(=O)CCc1nc([C@]2([NH3+])CCSC2)no1 ZINC000757183622 581697486 /nfs/dbraw/zinc/69/74/86/581697486.db2.gz QZEGPJOUCCRDOK-JTQLQIEISA-N 0 0 257.315 0.466 10 0 CCAERN Cn1nc(-c2cccc(F)c2C=O)cc1S(N)(=O)=O ZINC000757572505 581703104 /nfs/dbraw/zinc/70/31/04/581703104.db2.gz RXLRYEWQQZKLFA-UHFFFAOYSA-N 0 0 283.284 0.686 10 0 CCAERN CC(C)[C@H]1OCC[C@@H]1CNC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000907555918 614284834 /nfs/dbraw/zinc/28/48/34/614284834.db2.gz YFWPYJWEEZWNIG-BHPKHCPMSA-N 0 0 284.400 0.619 10 0 CCAERN CC(C)(C)/C=C/C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000128050644 614313500 /nfs/dbraw/zinc/31/35/00/614313500.db2.gz JINLBUNHBBNPTF-ZYOFXKKJSA-N 0 0 270.373 0.398 10 0 CCAERN CCCn1cc(NC(=O)C(=O)N[C@@H](C)[C@H]2CCCO2)cn1 ZINC000153405595 614535069 /nfs/dbraw/zinc/53/50/69/614535069.db2.gz FVWAYJWFCRYQIU-CMPLNLGQSA-N 0 0 294.355 0.915 10 0 CCAERN CCN(C(=O)C[C@H]1CS(=O)(=O)CCN1)c1ccccc1 ZINC000126461983 614595562 /nfs/dbraw/zinc/59/55/62/614595562.db2.gz GKEXKZLOKLVMFI-LBPRGKRZSA-N 0 0 296.392 0.816 10 0 CCAERN CCCC(=O)N[C@H]1CCCN(C(=O)c2noc(C)n2)C1 ZINC000123337817 614891618 /nfs/dbraw/zinc/89/16/18/614891618.db2.gz XIBNDJUMYDJPIZ-JTQLQIEISA-N 0 0 280.328 0.899 10 0 CCAERN CCN1CCN(C(=O)[C@H](NC(=O)OC)C(C)C)CC1 ZINC000108252489 615152596 /nfs/dbraw/zinc/15/25/96/615152596.db2.gz MCMNKSCFVGZEBL-LLVKDONJSA-N 0 0 271.361 0.531 10 0 CCAERN CCN1CCO[C@H](CNc2ccnc(C(=O)N(C)C)c2)C1 ZINC000134510008 615188877 /nfs/dbraw/zinc/18/88/77/615188877.db2.gz VJRXNWRBKLGRKC-CYBMUJFWSA-N 0 0 292.383 0.916 10 0 CCAERN CCN1CCO[C@H](CNc2cc(Cl)nc(N)n2)C1 ZINC000134432191 615188985 /nfs/dbraw/zinc/18/89/85/615188985.db2.gz MGLRNDJSDGIVQO-MRVPVSSYSA-N 0 0 271.752 0.845 10 0 CCAERN CCOC1CC(C(=O)N[C@@H]2C[C@@H](O)[C@@H]2n2cccn2)C1 ZINC000909188075 615212029 /nfs/dbraw/zinc/21/20/29/615212029.db2.gz TWQIOVHZPUEHEF-RKJHCZSYSA-N 0 0 279.340 0.489 10 0 CCAERN CCS(=O)(=O)NC[C@@H]1CCCO[C@H]1c1nccn1C ZINC000858008715 615349429 /nfs/dbraw/zinc/34/94/29/615349429.db2.gz VMUWGHUQWRPMEL-WDEREUQCSA-N 0 0 287.385 0.827 10 0 CCAERN CCO[C@]1(C(=O)N2CC[C@@H](n3ccnn3)C2)CCOC1 ZINC000911822493 615501238 /nfs/dbraw/zinc/50/12/38/615501238.db2.gz LVQZIQACUFNOTJ-DGCLKSJQSA-N 0 0 280.328 0.247 10 0 CCAERN CCS(=O)(=O)CCN1CCC[C@@H](n2cncn2)C1 ZINC000118397760 615533807 /nfs/dbraw/zinc/53/38/07/615533807.db2.gz QLXOSNPBNKJKBZ-LLVKDONJSA-N 0 0 272.374 0.350 10 0 CCAERN CCS(=O)(=O)CCN1CCC[C@H](NC(C)=O)C1 ZINC000118393541 615534079 /nfs/dbraw/zinc/53/40/79/615534079.db2.gz KAWXBQAGLBKJSI-NSHDSACASA-N 0 0 262.375 0.022 10 0 CCAERN CC[C@@H](O)[C@H](C)C(=O)N1CCc2nnc(OC)cc2C1 ZINC000901093189 615543354 /nfs/dbraw/zinc/54/33/54/615543354.db2.gz ATUMIXDKGCYUQO-JOYOIKCWSA-N 0 0 279.340 0.777 10 0 CCAERN CCc1nc[nH]c1C(=O)N[C@H]1CCCn2ncnc21 ZINC000906934865 615769361 /nfs/dbraw/zinc/76/93/61/615769361.db2.gz OWEIBLXQCQCDCC-VIFPVBQESA-N 0 0 260.301 0.829 10 0 CCAERN CC[C@H](O)[C@H](C)C(=O)N[C@@]1(c2nc(C)c[nH]2)CCOC1 ZINC000911415535 615842628 /nfs/dbraw/zinc/84/26/28/615842628.db2.gz AIEGQWGFHYMPMB-MJVIPROJSA-N 0 0 281.356 0.857 10 0 CCAERN CCn1cc(C(=O)N[C@@H]2CCCC[C@@H]2CO)nn1 ZINC000934861805 615952556 /nfs/dbraw/zinc/95/25/56/615952556.db2.gz CIHOLXPYRFLUEC-NXEZZACHSA-N 0 0 252.318 0.579 10 0 CCAERN CCn1cc(C(=O)N[C@H]2CCCC[C@@H]2CO)nn1 ZINC000934861811 615958018 /nfs/dbraw/zinc/95/80/18/615958018.db2.gz CIHOLXPYRFLUEC-ZJUUUORDSA-N 0 0 252.318 0.579 10 0 CCAERN CN(CC(=O)OCC1CC1)S(=O)(=O)c1cccnc1 ZINC000103332466 616050292 /nfs/dbraw/zinc/05/02/92/616050292.db2.gz AZHKXQGCYKPBSJ-UHFFFAOYSA-N 0 0 284.337 0.655 10 0 CCAERN COC(=O)/C=C(/C)CN1CCOC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000930413218 616309026 /nfs/dbraw/zinc/30/90/26/616309026.db2.gz ZEOOZVJBTRPQFF-GIEACOJWSA-N 0 0 283.368 0.968 10 0 CCAERN COC(=O)/C=C(/C)CN1C[C@H](OC)C[C@H]1c1nc[nH]n1 ZINC000930399478 616310513 /nfs/dbraw/zinc/31/05/13/616310513.db2.gz WNOYVMZRIFXADW-BMMYIHMSSA-N 0 0 280.328 0.686 10 0 CCAERN COC(=O)/C=C(\C)CN1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000930413220 616312315 /nfs/dbraw/zinc/31/23/15/616312315.db2.gz ZEOOZVJBTRPQFF-NJHQBVJRSA-N 0 0 283.368 0.968 10 0 CCAERN CN1CN(C(=O)[C@@H]2CCCO[C@H]2c2cn[nH]c2)CC1=O ZINC000886074777 616473607 /nfs/dbraw/zinc/47/36/07/616473607.db2.gz XBYQUPSAWRKIKL-PWSUYJOCSA-N 0 0 278.312 0.136 10 0 CCAERN CO[C@@H]1C[N@H+](Cc2ccccn2)C[C@H]1c1cn(C)nn1 ZINC000886093982 616776110 /nfs/dbraw/zinc/77/61/10/616776110.db2.gz MEHHOASREFNTDJ-GXTWGEPZSA-N 0 0 273.340 0.825 10 0 CCAERN 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ZINC000408049942 357889498 /nfs/dbraw/zinc/88/94/98/357889498.db2.gz GSYDOBXJGDDQTE-AXFHLTTASA-N 0 0 269.345 0.426 10 0 CCAERN CCO[C@H]1C[C@@H]1C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C ZINC000408050272 357889635 /nfs/dbraw/zinc/88/96/35/357889635.db2.gz ISZPIGKWMJVSLX-RNJOBUHISA-N 0 0 295.383 0.815 10 0 CCAERN CCOCC1(C(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C)CC1 ZINC000408051915 357890380 /nfs/dbraw/zinc/89/03/80/357890380.db2.gz RPCYTFAYIZVFRV-MNOVXSKESA-N 0 0 281.356 0.428 10 0 CCAERN NC(=O)[C@@]1(O)CCCN(C(=O)c2noc3c2CCCC3)C1 ZINC000408056850 357892979 /nfs/dbraw/zinc/89/29/79/357892979.db2.gz MFZBYAISIWHHAR-CQSZACIVSA-N 0 0 293.323 0.006 10 0 CCAERN CC(=O)N1CCC[C@](O)(C(=O)N2CCC[C@H]2C[C@H](C)O)C1 ZINC000408056204 357893257 /nfs/dbraw/zinc/89/32/57/357893257.db2.gz DTDDNJUYRQTBQZ-CORIIIEPSA-N 0 0 298.383 0.122 10 0 CCAERN CC(=O)N1CC[C@H](C(=O)N[C@H]2CCC[C@@H](C(N)=O)C2)C1 ZINC000408058997 357894502 /nfs/dbraw/zinc/89/45/02/357894502.db2.gz AZXWMOFRHAKCKK-WOPDTQHZSA-N 0 0 281.356 0.015 10 0 CCAERN COCCS(=O)(=O)N[C@H]1CCC[C@]1(C)CO ZINC000408006494 357862952 /nfs/dbraw/zinc/86/29/52/357862952.db2.gz BCONOYCJLCPYIE-VHSXEESVSA-N 0 0 251.348 0.103 10 0 CCAERN C[C@H](CO)CCCNS(=O)(=O)N1C[C@@H](C)OC[C@H]1C ZINC000408006723 357863646 /nfs/dbraw/zinc/86/36/46/357863646.db2.gz DIAOJHZHNNAITK-QJPTWQEYSA-N 0 0 294.417 0.339 10 0 CCAERN C[C@@H]1CN(C)CCN1C(=O)CNC(=O)CC(C)(C)C ZINC000408114181 357924332 /nfs/dbraw/zinc/92/43/32/357924332.db2.gz WFQDJJRXKRMOHW-LLVKDONJSA-N 0 0 269.389 0.701 10 0 CCAERN COc1cc(C(=O)N2CCC[C@@](F)(CO)C2)on1 ZINC000408121314 357927343 /nfs/dbraw/zinc/92/73/43/357927343.db2.gz MYXTXDWQAPFEEW-NSHDSACASA-N 0 0 258.249 0.620 10 0 CCAERN COC[C@H](C)N(C)S(=O)(=O)N1CCOC(C)(C)C1 ZINC000408123495 357927912 /nfs/dbraw/zinc/92/79/12/357927912.db2.gz PMJFENBFXCTLPN-JTQLQIEISA-N 0 0 280.390 0.309 10 0 CCAERN CC(=O)N1CCCC[C@H]1C(=O)NC[C@H](O)C(F)F ZINC000408074612 357904287 /nfs/dbraw/zinc/90/42/87/357904287.db2.gz QQQYZEDJMNMUJP-IUCAKERBSA-N 0 0 264.272 0.130 10 0 CCAERN COC(=O)[C@H](O)C(C)(C)NC(=O)N1CCSCC1 ZINC000408075416 357904826 /nfs/dbraw/zinc/90/48/26/357904826.db2.gz ZALSKMZTSFDPAY-QMMMGPOBSA-N 0 0 276.358 0.057 10 0 CCAERN CCOC1(C(=O)N2CCO[C@@H](CO)C2)CCCC1 ZINC000408076721 357905511 /nfs/dbraw/zinc/90/55/11/357905511.db2.gz MUIBLKBIOXEZIF-LLVKDONJSA-N 0 0 257.330 0.555 10 0 CCAERN COC(=O)[C@@H]1CC[C@H]1C(=O)N1CCC(CO)CC1 ZINC000408077464 357906536 /nfs/dbraw/zinc/90/65/36/357906536.db2.gz XYZYRCITCPWGGT-GHMZBOCLSA-N 0 0 255.314 0.417 10 0 CCAERN C[C@@H]1CCN(CC(=O)NC(=O)NCC(F)(F)F)C[C@H]1O ZINC000408094384 357917253 /nfs/dbraw/zinc/91/72/53/357917253.db2.gz ZBCXYGPYJIHVQO-HTQZYQBOSA-N 0 0 297.277 0.077 10 0 CCAERN CCCN(CC1CC1)S(=O)(=O)N1CCNC(=O)[C@H]1C ZINC000408098624 357918365 /nfs/dbraw/zinc/91/83/65/357918365.db2.gz GGUHCMBOJPPFIJ-SNVBAGLBSA-N 0 0 289.401 0.174 10 0 CCAERN Cc1ncc(C(=O)N2CCC[C@@]3(CNC(=O)C3)C2)c(C)n1 ZINC000408124860 357928587 /nfs/dbraw/zinc/92/85/87/357928587.db2.gz TUWTWYJEIBOBTA-OAHLLOKOSA-N 0 0 288.351 0.836 10 0 CCAERN C[C@@H]1CN(C)CCN1C(=O)CCNC(=O)C(C)(C)C ZINC000408112169 357923253 /nfs/dbraw/zinc/92/32/53/357923253.db2.gz ITXZNIRQONXYCO-LLVKDONJSA-N 0 0 269.389 0.701 10 0 CCAERN C[C@@H]1C[C@H](S(=O)(=O)N[C@H]2CCCC[C@H]2O)CCO1 ZINC000408191234 357961145 /nfs/dbraw/zinc/96/11/45/357961145.db2.gz DYQCIBARTDMBIY-WISYIIOYSA-N 0 0 277.386 0.777 10 0 CCAERN CC[C@@H]1C[C@H](C(=O)NC[C@H]2CCCO2)CC(=O)N1 ZINC000408192576 357961694 /nfs/dbraw/zinc/96/16/94/357961694.db2.gz NFVSAOGPZLVUJV-HBNTYKKESA-N 0 0 254.330 0.586 10 0 CCAERN CC(C)CN(C)S(=O)(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000408130439 357929980 /nfs/dbraw/zinc/92/99/80/357929980.db2.gz BOMRNYZMDIPLGT-QWRGUYRKSA-N 0 0 264.391 0.976 10 0 CCAERN CC(C)CN(C)S(=O)(=O)N[C@@H]1CCO[C@H]1C ZINC000408135523 357933190 /nfs/dbraw/zinc/93/31/90/357933190.db2.gz YMZCPXQNKYOWBP-VHSXEESVSA-N 0 0 250.364 0.586 10 0 CCAERN CC(C)S(=O)(=O)CC(=O)N1CCC[C@H](C)[C@H]1CO ZINC000408143136 357937449 /nfs/dbraw/zinc/93/74/49/357937449.db2.gz ZMDLQHVSEDJJII-WDEREUQCSA-N 0 0 277.386 0.429 10 0 CCAERN CC(C)NS(=O)(=O)N[C@H]1CCC[C@]1(C)CO ZINC000408146303 357939936 /nfs/dbraw/zinc/93/99/36/357939936.db2.gz OKRDVNHWKFFBHA-VHSXEESVSA-N 0 0 250.364 0.370 10 0 CCAERN O=C(C[C@@H]1CCCCNC1=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC000408151641 357942400 /nfs/dbraw/zinc/94/24/00/357942400.db2.gz XHXZSUJBEJZGNG-CMPLNLGQSA-N 0 0 290.367 0.690 10 0 CCAERN CC(C)N(C)C(=O)CS(=O)(=O)[C@H]1CCCOC1 ZINC000408155010 357943835 /nfs/dbraw/zinc/94/38/35/357943835.db2.gz OISPPVYNYAAZEU-JTQLQIEISA-N 0 0 263.359 0.447 10 0 CCAERN CCC[C@@H]1C[C@@H](C(=O)N[C@@H]2CCCNC2=O)CCO1 ZINC000408158791 357946128 /nfs/dbraw/zinc/94/61/28/357946128.db2.gz MSXDYPIOKAWAQS-QJPTWQEYSA-N 0 0 268.357 0.977 10 0 CCAERN CCC[C@@H]1C[C@H](C(=O)N2CCO[C@@H](CO)C2)CCO1 ZINC000408160427 357946802 /nfs/dbraw/zinc/94/68/02/357946802.db2.gz JDIYXWGMJSRKCR-JHJVBQTASA-N 0 0 271.357 0.801 10 0 CCAERN C[C@H]1C[C@H](C(=O)N(C)CC2(O)CCCC2)CC(=O)N1 ZINC000408167249 357951235 /nfs/dbraw/zinc/95/12/35/357951235.db2.gz WVUIWMNRGOPJDB-QWRGUYRKSA-N 0 0 268.357 0.665 10 0 CCAERN CC(=O)N1CCC[C@@H]1C(=O)NC(C)(C)C(C)(C)CO ZINC000408172848 357953125 /nfs/dbraw/zinc/95/31/25/357953125.db2.gz BCOJVBLRCYYZKN-LLVKDONJSA-N 0 0 270.373 0.911 10 0 CCAERN Cn1nccc1N1CCC[C@H](NC(=O)C2=CCOCC2)C1 ZINC000408181605 357956668 /nfs/dbraw/zinc/95/66/68/357956668.db2.gz DVUCEKJVRJEOTF-ZDUSSCGKSA-N 0 0 290.367 0.852 10 0 CCAERN COc1c2cnn(C)c2ncc1C(=O)N1CCOC[C@@H]1C ZINC000408183075 357957763 /nfs/dbraw/zinc/95/77/63/357957763.db2.gz NWKAMGRCKGDOQJ-VIFPVBQESA-N 0 0 290.323 0.838 10 0 CCAERN CN(C)S(=O)(=O)CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000408185778 357958149 /nfs/dbraw/zinc/95/81/49/357958149.db2.gz MNWMXTGIYJWSCY-QWRGUYRKSA-N 0 0 290.385 0.048 10 0 CCAERN Cc1cc(C(=O)NC[C@@H]2CN(C)CCO2)nc(C)n1 ZINC000408199434 357965290 /nfs/dbraw/zinc/96/52/90/357965290.db2.gz SBTUPCIRPFFXGL-LLVKDONJSA-N 0 0 264.329 0.154 10 0 CCAERN C[C@@H]1C[C@H](C(=O)N2CCC[C@@H]2C(C)(C)O)CC(=O)N1 ZINC000408200188 357966280 /nfs/dbraw/zinc/96/62/80/357966280.db2.gz AFQHZPWXUKRCEV-OUAUKWLOSA-N 0 0 268.357 0.663 10 0 CCAERN Cc1c(CNC(=O)[C@@H]2CC(=O)N[C@@H](C)C2)cnn1C ZINC000408204003 357968030 /nfs/dbraw/zinc/96/80/30/357968030.db2.gz SLDYVXISDHTCJJ-WPRPVWTQSA-N 0 0 264.329 0.259 10 0 CCAERN CCC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N[C@H](C)C2)CCO1 ZINC000408204832 357969280 /nfs/dbraw/zinc/96/92/80/357969280.db2.gz WLBKXLLRIZOHHR-GRYCIOLGSA-N 0 0 268.357 0.929 10 0 CCAERN C[C@H]1C[C@H](C(=O)NC(C)(C)C(C)(C)CO)CC(=O)N1 ZINC000408206063 357969652 /nfs/dbraw/zinc/96/96/52/357969652.db2.gz ZUOZBDDZAMNXKK-UWVGGRQHSA-N 0 0 270.373 0.814 10 0 CCAERN C[C@@H]1CCN(S(=O)(=O)NC2CCCC2)[C@H]1CO ZINC000408205623 357969769 /nfs/dbraw/zinc/96/97/69/357969769.db2.gz LDFNLTOQFAADFW-KOLCDFICSA-N 0 0 262.375 0.466 10 0 CCAERN CC[C@@H]1C[C@H](C(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)CC(=O)N1 ZINC000408206097 357969903 /nfs/dbraw/zinc/96/99/03/357969903.db2.gz SJTCATXESZSTIT-NOOOWODRSA-N 0 0 295.383 0.404 10 0 CCAERN CC(C)[C@@H](CO)NC(=O)[C@@H]1OC[C@H]2COCC[C@H]21 ZINC000408223901 357979313 /nfs/dbraw/zinc/97/93/13/357979313.db2.gz VMDUBFIUVHGOQF-DDHJBXDOSA-N 0 0 257.330 0.171 10 0 CCAERN C[C@@H]1[C@H](C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)C1(F)F ZINC000408233410 357984514 /nfs/dbraw/zinc/98/45/14/357984514.db2.gz UMLTUSFABFIYFI-BWZBUEFSSA-N 0 0 282.312 0.038 10 0 CCAERN CC(C)CNS(=O)(=O)N1C[C@@H](C)OC[C@H]1C ZINC000408238991 357986224 /nfs/dbraw/zinc/98/62/24/357986224.db2.gz WHISJLBKFKHPEN-NXEZZACHSA-N 0 0 250.364 0.586 10 0 CCAERN C[C@]1(CO)CCC[C@@H]1NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000408243274 357989122 /nfs/dbraw/zinc/98/91/22/357989122.db2.gz FOSGEGHOOFSFQQ-JBLDHEPKSA-N 0 0 290.385 0.024 10 0 CCAERN CC(C)N1C[C@H](C)[C@H](NC(=O)C(C)(C)S(C)(=O)=O)C1 ZINC000408249352 357991858 /nfs/dbraw/zinc/99/18/58/357991858.db2.gz SPZQKKLDTNKTMD-WDEREUQCSA-N 0 0 290.429 0.655 10 0 CCAERN CC(C)N1C[C@H](NC(=O)C(C)(C)S(C)(=O)=O)[C@@H](C)C1 ZINC000408249351 357992220 /nfs/dbraw/zinc/99/22/20/357992220.db2.gz SPZQKKLDTNKTMD-QWRGUYRKSA-N 0 0 290.429 0.655 10 0 CCAERN C[C@]1(CNC(=O)N2CC[C@@H](CCO)C2)CCCO1 ZINC000408250025 357992753 /nfs/dbraw/zinc/99/27/53/357992753.db2.gz HABVTWCAYLABIU-WCQYABFASA-N 0 0 256.346 0.969 10 0 CCAERN O=C([C@H]1CCCO1)N1CCN(CC2(O)CCC2)CC1 ZINC000408253227 357993750 /nfs/dbraw/zinc/99/37/50/357993750.db2.gz FSPMEIAKNWUYKA-GFCCVEGCSA-N 0 0 268.357 0.225 10 0 CCAERN CC(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC(=O)N(C)C1 ZINC000408268892 358000270 /nfs/dbraw/zinc/00/02/70/358000270.db2.gz FODNLKUJHABUQV-SCVCMEIPSA-N 0 0 254.330 0.394 10 0 CCAERN CC[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC(=O)N(C)C1 ZINC000408269013 358000358 /nfs/dbraw/zinc/00/03/58/358000358.db2.gz HEHLUKPQHLWTEF-AXFHLTTASA-N 0 0 254.330 0.539 10 0 CCAERN CC[C@@H]1OCCC[C@H]1C(=O)N1CCN(CCO)[C@H](C)C1 ZINC000408272670 358002627 /nfs/dbraw/zinc/00/26/27/358002627.db2.gz HJWJPLCGGIKUDS-MCIONIFRSA-N 0 0 284.400 0.717 10 0 CCAERN CC(C)n1cc(C(=O)N2CCO[C@@H](CO)C2)cn1 ZINC000408274825 358003697 /nfs/dbraw/zinc/00/36/97/358003697.db2.gz PIPNZVYSGIUWCW-LLVKDONJSA-N 0 0 253.302 0.297 10 0 CCAERN Cc1cnc(N2CCN(C(=O)CC(=O)N(C)C)CC2)s1 ZINC000408276589 358004231 /nfs/dbraw/zinc/00/42/31/358004231.db2.gz JNTFPXIUFXFARB-UHFFFAOYSA-N 0 0 296.396 0.578 10 0 CCAERN C[C@H](C[C@H]1CCCO1)NC(=O)N1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000408278925 358005522 /nfs/dbraw/zinc/00/55/22/358005522.db2.gz VZPJDVQCBJAKGR-KKOKHZNYSA-N 0 0 299.371 0.228 10 0 CCAERN C[C@H](CCCO)NS(=O)(=O)NC1CCCC1 ZINC000408279619 358006224 /nfs/dbraw/zinc/00/62/24/358006224.db2.gz KGJPVAXFHMUCPO-SECBINFHSA-N 0 0 250.364 0.514 10 0 CCAERN CC(C)(C(=O)NC[C@@H]1CS(=O)(=O)CCO1)C(F)F ZINC000408288804 358011750 /nfs/dbraw/zinc/01/17/50/358011750.db2.gz AIADWJHCDOKJAW-SSDOTTSWSA-N 0 0 285.312 0.208 10 0 CCAERN CCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CO[C@@H](C)C2)C1 ZINC000408293590 358015679 /nfs/dbraw/zinc/01/56/79/358015679.db2.gz HKQHRCGGQAYLSV-SDDRHHMPSA-N 0 0 268.357 0.929 10 0 CCAERN C[C@H](O)CN1CCN(C(=O)c2ncncc2Cl)[C@@H](C)C1 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GTMLSUWXFNAOHM-RHYQMDGZSA-N 0 0 285.340 0.182 10 0 CCAERN O=C(c1ccc2c(c1)OCC(=O)N2)N1C[C@H](F)C[C@H]1CO ZINC000444552885 235896486 /nfs/dbraw/zinc/89/64/86/235896486.db2.gz QPYLCTYIVHAZSF-ZJUUUORDSA-N 0 0 294.282 0.562 10 0 CCAERN COC(=O)[C@@H]1CC[C@@H]1C(=O)N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000375998492 357424171 /nfs/dbraw/zinc/42/41/71/357424171.db2.gz KLPSAOPENYYZIR-MJDLHHQISA-N 0 0 267.325 0.869 10 0 CCAERN CCNC(=O)NC(=O)[C@H](C)N1CCO[C@H]2CCCC[C@H]21 ZINC000372769023 357379662 /nfs/dbraw/zinc/37/96/62/357379662.db2.gz NDPBRLMYBBJNSZ-TUAOUCFPSA-N 0 0 283.372 0.864 10 0 CCAERN O=C(NC1CCC2(CC1)OCCO2)C1=NNC(=O)CC1 ZINC000376621979 357486012 /nfs/dbraw/zinc/48/60/12/357486012.db2.gz WRXHNJFUEIIDML-UHFFFAOYSA-N 0 0 281.312 0.054 10 0 CCAERN O=C(/C=C/c1cccc(F)c1)N1C[C@H](O)C[C@@H]1CO ZINC000378320998 357671247 /nfs/dbraw/zinc/67/12/47/357671247.db2.gz ZJZMTYIFSZMPDQ-IJWDBEHRSA-N 0 0 265.284 0.793 10 0 CCAERN CN([C@@H]1CCC[NH2+]CC1)S(=O)(=O)c1ncc[n-]1 ZINC000383627487 357716940 /nfs/dbraw/zinc/71/69/40/357716940.db2.gz WLUQJVLKWXQZTG-SECBINFHSA-N 0 0 258.347 0.172 10 0 CCAERN C[C@H]1NC(=O)CC[C@@H]1NC(=O)c1ccc(CO)cc1 ZINC000393444151 357750230 /nfs/dbraw/zinc/75/02/30/357750230.db2.gz XKASSIHUTVHVHL-SKDRFNHKSA-N 0 0 262.309 0.576 10 0 CCAERN CCO[C@]1(C(=O)N2Cc3c[nH]nc3C2)CCOC1 ZINC000401600721 357800909 /nfs/dbraw/zinc/80/09/09/357800909.db2.gz DPIFRRWVGXWQKO-GFCCVEGCSA-N 0 0 251.286 0.448 10 0 CCAERN CCO[C@@]1(C(=O)N(CC)CCC(=O)OC)CCOC1 ZINC000402188018 357808482 /nfs/dbraw/zinc/80/84/82/357808482.db2.gz AYFBOCQKJAZWCS-ZDUSSCGKSA-N 0 0 273.329 0.594 10 0 CCAERN O=C([O-])C[N@@H+]1CCCN(C(=O)N2CCSCC2)CC1 ZINC000061145581 304067588 /nfs/dbraw/zinc/06/75/88/304067588.db2.gz UMQBGNQJPLDBJR-UHFFFAOYSA-N 0 0 287.385 0.248 10 0 CCAERN O=S(=O)(CCC1CC1)N1CC[C@@H]2OCCN[C@@H]2C1 ZINC000404212882 357819115 /nfs/dbraw/zinc/81/91/15/357819115.db2.gz WSLRTFWCJKDELN-NEPJUHHUSA-N 0 0 274.386 0.179 10 0 CCAERN CCc1cc(C(=O)N2C[C@H](O)CC[C@@H]2C)n(C)n1 ZINC000399324931 357783040 /nfs/dbraw/zinc/78/30/40/357783040.db2.gz WTNYWZWEHOYXSL-GXSJLCMTSA-N 0 0 251.330 0.968 10 0 CCAERN C[C@@H](O)CN1CCN(Cc2cnns2)C[C@H]1C ZINC000407947324 357829172 /nfs/dbraw/zinc/82/91/72/357829172.db2.gz BRPRMRSHCCVCRD-NXEZZACHSA-N 0 0 256.375 0.425 10 0 CCAERN C[C@@H](NC(=O)[C@@H]1CC(=O)N[C@H](C)C1)[C@@H]1CCOC1 ZINC000407958664 357838393 /nfs/dbraw/zinc/83/83/93/357838393.db2.gz SHTPONJXRPCEAI-DBIOUOCHSA-N 0 0 254.330 0.442 10 0 CCAERN O=C(C[C@@H]1CCOC1)N1CCN[C@H](c2ccncc2)C1 ZINC000407966128 357842851 /nfs/dbraw/zinc/84/28/51/357842851.db2.gz NEXMPELXSNIOOM-JSGCOSHPSA-N 0 0 275.352 0.981 10 0 CCAERN CNC(=O)NC1CN(C(=O)c2ncoc2[C@@H]2CCCO2)C1 ZINC000407979616 357848769 /nfs/dbraw/zinc/84/87/69/357848769.db2.gz CWHSDHHCCBYALI-VIFPVBQESA-N 0 0 294.311 0.280 10 0 CCAERN CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H]2C[C@@H]2C)C1 ZINC000408014288 357867785 /nfs/dbraw/zinc/86/77/85/357867785.db2.gz UPAGTCVCBVKYSZ-GARJFASQSA-N 0 0 274.386 0.573 10 0 CCAERN COCCCNC(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000408016992 357869350 /nfs/dbraw/zinc/86/93/50/357869350.db2.gz OLDNXMXNBBNXDA-RYUDHWBXSA-N 0 0 271.361 0.137 10 0 CCAERN CCC1(NC(=O)[C@@H](C)N2CCOCC2)CCOCC1 ZINC000408023923 357871905 /nfs/dbraw/zinc/87/19/05/357871905.db2.gz WXJIIOQMLXHYAI-GFCCVEGCSA-N 0 0 270.373 0.783 10 0 CCAERN COC[C@@H]1C[C@H](OC)CN1S(=O)(=O)N1CCC[C@@H]1C ZINC000408027232 357873649 /nfs/dbraw/zinc/87/36/49/357873649.db2.gz MIUATQWEDVKFPW-SRVKXCTJSA-N 0 0 292.401 0.451 10 0 CCAERN COC[C@@H]1CN(C(=O)N2CCOCC2)CC(C)(C)O1 ZINC000408028221 357874957 /nfs/dbraw/zinc/87/49/57/357874957.db2.gz REBYHFGMAOKUSD-NSHDSACASA-N 0 0 272.345 0.564 10 0 CCAERN CCn1cnc(S(=O)(=O)N[C@H]2CCO[C@@H]2C)c1 ZINC000408027779 357875141 /nfs/dbraw/zinc/87/51/41/357875141.db2.gz MOTLNOZBHKIICW-BDAKNGLRSA-N 0 0 259.331 0.359 10 0 CCAERN COCC[C@@H](C)S(=O)(=O)N1C[C@@H](F)C[C@H]1CO ZINC000408031433 357876719 /nfs/dbraw/zinc/87/67/19/357876719.db2.gz MYPKMVDNIONEBM-UTLUCORTSA-N 0 0 269.338 0.146 10 0 CCAERN CO[C@H](C)C(=O)N1CCOC[C@H]1c1nc(C)no1 ZINC000408041748 357882297 /nfs/dbraw/zinc/88/22/97/357882297.db2.gz OHWMZOVJIKRQNM-APPZFPTMSA-N 0 0 255.274 0.313 10 0 CCAERN Cc1noc([C@H]2COCCN2C(=O)c2cc[nH]c2)n1 ZINC000408040992 357882452 /nfs/dbraw/zinc/88/24/52/357882452.db2.gz KEOQOLMPUQLUNI-SNVBAGLBSA-N 0 0 262.269 0.920 10 0 CCAERN CC[C@H](C)NC(=O)[C@H](C)N1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000408042658 357883291 /nfs/dbraw/zinc/88/32/91/357883291.db2.gz MEELBDVDUMGFJC-YFKTTZPYSA-N 0 0 282.388 0.388 10 0 CCAERN CO[C@@H]1CCC[C@H]1CNC(=O)[C@@]1(O)CCCN(C(C)=O)C1 ZINC000408053930 357891745 /nfs/dbraw/zinc/89/17/45/357891745.db2.gz JIXFVRKSEZEYRZ-GZBFAFLISA-N 0 0 298.383 0.291 10 0 CCAERN CO[C@H]1C[C@@H](C(=O)NC2(CO)CCCC2)N(C)C1 ZINC000408056865 357892796 /nfs/dbraw/zinc/89/27/96/357892796.db2.gz MMFYHWKSGKKPGM-QWRGUYRKSA-N 0 0 256.346 0.127 10 0 CCAERN CC(C)[C@H](NC(=O)[C@H]1COCCN1C)C(C)(C)O ZINC000408057419 357893738 /nfs/dbraw/zinc/89/37/38/357893738.db2.gz UMDVIUXUBIFWNL-MNOVXSKESA-N 0 0 258.362 0.229 10 0 CCAERN CC(=O)N1CC[C@H](C(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)C1 ZINC000408058994 357894556 /nfs/dbraw/zinc/89/45/56/357894556.db2.gz AZXWMOFRHAKCKK-SDDRHHMPSA-N 0 0 281.356 0.015 10 0 CCAERN C[C@H]1C[C@@H](C(=O)NCC(=O)NC(C)(C)C)CCO1 ZINC000408114255 357924539 /nfs/dbraw/zinc/92/45/39/357924539.db2.gz CNZHTLVZAGWGNY-UWVGGRQHSA-N 0 0 256.346 0.832 10 0 CCAERN CC[C@@H]1C[C@H](C(=O)N2CCC[C@](F)(CO)C2)CC(=O)N1 ZINC000408118922 357925833 /nfs/dbraw/zinc/92/58/33/357925833.db2.gz ALOCZAMJNWOOOW-MISXGVKJSA-N 0 0 286.347 0.614 10 0 CCAERN Cc1nnc2ccc(C(=O)N3CCC[C@@](F)(CO)C3)cn12 ZINC000408119765 357926549 /nfs/dbraw/zinc/92/65/49/357926549.db2.gz OPEZJJNLGFHOAA-AWEZNQCLSA-N 0 0 292.314 0.974 10 0 CCAERN C[C@H]1OCCN(C(=O)[C@@H]2CCCCS2)[C@@H]1C(N)=O ZINC000408066283 357899646 /nfs/dbraw/zinc/89/96/46/357899646.db2.gz WVUFRFGNFPXAQG-UTLUCORTSA-N 0 0 272.370 0.373 10 0 CCAERN COC(=O)[C@H]1CC[C@@H]1C(=O)N1CCC(CO)CC1 ZINC000408077466 357906209 /nfs/dbraw/zinc/90/62/09/357906209.db2.gz XYZYRCITCPWGGT-QWRGUYRKSA-N 0 0 255.314 0.417 10 0 CCAERN CNC(=O)[C@@H]1CCCN(C(=O)c2ncncc2Cl)C1 ZINC000408078173 357907141 /nfs/dbraw/zinc/90/71/41/357907141.db2.gz AZBIGOIJUKBEAB-MRVPVSSYSA-N 0 0 282.731 0.728 10 0 CCAERN CC[C@H](O)CN1CCN(C(=O)[C@@H]2CCO[C@@H]2C)CC1 ZINC000408079667 357907991 /nfs/dbraw/zinc/90/79/91/357907991.db2.gz AKEXCMJJKVQZPA-FRRDWIJNSA-N 0 0 270.373 0.327 10 0 CCAERN CCNC(=O)N1CCN(C(=O)c2ncncc2Cl)CC1 ZINC000408081219 357908429 /nfs/dbraw/zinc/90/84/29/357908429.db2.gz RMMTXLYITALDAR-UHFFFAOYSA-N 0 0 297.746 0.617 10 0 CCAERN C[C@H]1CCN(c2ncnc3c2CN(C)CC3)C[C@@H]1O ZINC000408091728 357915501 /nfs/dbraw/zinc/91/55/01/357915501.db2.gz WEQFVFZBTJVQPD-GWCFXTLKSA-N 0 0 262.357 0.672 10 0 CCAERN Cc1ncncc1C(=O)N1CCC[C@@H]1C(=O)N(C)C ZINC000408095450 357917986 /nfs/dbraw/zinc/91/79/86/357917986.db2.gz YMFFAWWWXQOMCN-LLVKDONJSA-N 0 0 262.313 0.478 10 0 CCAERN COCC1(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000408194725 357963268 /nfs/dbraw/zinc/96/32/68/357963268.db2.gz YHZWDAOKEZQXCG-UWVGGRQHSA-N 0 0 263.359 0.604 10 0 CCAERN COCc1ncc(C(=O)N2C[C@@H](C)C[C@@H]2C)c(N)n1 ZINC000408149158 357940816 /nfs/dbraw/zinc/94/08/16/357940816.db2.gz JRNMRCHOMUTBRG-IUCAKERBSA-N 0 0 264.329 0.906 10 0 CCAERN CC[C@H](O)CN1CCN(S(=O)(=O)CC2CC2)CC1 ZINC000408153738 357943229 /nfs/dbraw/zinc/94/32/29/357943229.db2.gz FLWJTYPZIVUDRK-LBPRGKRZSA-N 0 0 276.402 0.115 10 0 CCAERN Cc1noc(C)c1CNC(=O)[C@@H]1CC(=O)N[C@H](C)C1 ZINC000408162500 357947971 /nfs/dbraw/zinc/94/79/71/357947971.db2.gz XCSWUSNTDBXPLU-XCBNKYQSSA-N 0 0 265.313 0.822 10 0 CCAERN Cc1[nH]n(C)c2nnc(NC(=O)[C@H]3CC(=O)N(C)C3)c1-2 ZINC000408164977 357950100 /nfs/dbraw/zinc/95/01/00/357950100.db2.gz OWZRQVSPOROZSP-ZETCQYMHSA-N 0 0 276.300 0.022 10 0 CCAERN COc1cc(N2CCC[C@@H]2[C@H]2COCC[C@H]2O)ncn1 ZINC000408171836 357952867 /nfs/dbraw/zinc/95/28/67/357952867.db2.gz ONCSNXNPDFTRHN-IJLUTSLNSA-N 0 0 279.340 0.851 10 0 CCAERN C[C@@H]1CN(Cc2nnc(C3CCC3)n2C)CCS1(=O)=O ZINC000408177165 357955446 /nfs/dbraw/zinc/95/54/46/357955446.db2.gz LSOMXRRYPQUCTH-SNVBAGLBSA-N 0 0 298.412 0.702 10 0 CCAERN C[C@@H]1CN(S(=O)(=O)NCCCCCO)[C@@H](C)CO1 ZINC000408180279 357956984 /nfs/dbraw/zinc/95/69/84/357956984.db2.gz OXHAWCNVXCTFGR-WDEREUQCSA-N 0 0 280.390 0.093 10 0 CCAERN CC(C)S(=O)(=O)CC(=O)N1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000408187731 357959065 /nfs/dbraw/zinc/95/90/65/357959065.db2.gz PXMIZPMTVPRFRW-GARJFASQSA-N 0 0 275.370 0.039 10 0 CCAERN C[C@H]1C[C@@H](C(=O)NC2(C(N)=O)CCCCC2)CC(=O)N1 ZINC000408196608 357963811 /nfs/dbraw/zinc/96/38/11/357963811.db2.gz AEEMOLJQPYTDMX-VHSXEESVSA-N 0 0 281.356 0.206 10 0 CCAERN Cc1cc(C)n([C@@H](C)C(=O)N2CCS(=O)(=O)[C@H](C)C2)n1 ZINC000408198272 357964658 /nfs/dbraw/zinc/96/46/58/357964658.db2.gz QOGFPSZQVGADKX-NEPJUHHUSA-N 0 0 299.396 0.706 10 0 CCAERN CC[C@@H]1C[C@H](C(=O)N2CC[C@H](C)[C@H](O)C2)CC(=O)N1 ZINC000408200719 357966183 /nfs/dbraw/zinc/96/61/83/357966183.db2.gz DUUWBGQDQBVQPY-NNYUYHANSA-N 0 0 268.357 0.521 10 0 CCAERN Cc1cc(=NC(=O)[C@@H]2CC(=O)N[C@H](C)C2)[nH]n1C ZINC000408201285 357966940 /nfs/dbraw/zinc/96/69/40/357966940.db2.gz HNUNBBCMPIZHHS-APPZFPTMSA-N 0 0 250.302 0.004 10 0 CCAERN COC[C@H]1CCN(S(=O)(=O)NC2CCCC2)C1 ZINC000408203548 357968460 /nfs/dbraw/zinc/96/84/60/357968460.db2.gz DDDHNKJBYAMYFK-JTQLQIEISA-N 0 0 262.375 0.732 10 0 CCAERN CC(C)(C)[C@@H](O)CNS(=O)(=O)NC1CCCC1 ZINC000408203542 357968534 /nfs/dbraw/zinc/96/85/34/357968534.db2.gz DDBRSCCCDAYMNE-JTQLQIEISA-N 0 0 264.391 0.760 10 0 CCAERN CC[C@H]1C[C@@H](C(=O)N2CCC(CO)CC2)CC(=O)N1 ZINC000408205719 357969788 /nfs/dbraw/zinc/96/97/88/357969788.db2.gz YRWOUDDMQUHNHR-NEPJUHHUSA-N 0 0 268.357 0.522 10 0 CCAERN CCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N[C@@H](C)C2)C1 ZINC000408207654 357971329 /nfs/dbraw/zinc/97/13/29/357971329.db2.gz XKUHMBSGPLELNG-SDDRHHMPSA-N 0 0 295.383 0.418 10 0 CCAERN CCc1[nH][nH]c(=NC(=O)[C@H]2CC(=O)N[C@@H](C)C2)c1C ZINC000408207523 357971466 /nfs/dbraw/zinc/97/14/66/357971466.db2.gz HYJBJCXWVZWACW-IONNQARKSA-N 0 0 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/nfs/dbraw/zinc/07/36/68/285073668.db2.gz UXXFLCKBXOVMSA-RWMBFGLXSA-N 0 0 293.429 0.671 10 0 CCAERN Cc1cc(NC(=O)N2CCN(C[C@H](C)O)C[C@@H]2C)no1 ZINC000248741129 285078449 /nfs/dbraw/zinc/07/84/49/285078449.db2.gz PXUIKVLSBMNFAP-UWVGGRQHSA-N 0 0 282.344 0.902 10 0 CCAERN CNC(=O)[C@H](NC(=O)[C@H]1CCOC[C@@H]1C)C(C)C ZINC000248848261 285084436 /nfs/dbraw/zinc/08/44/36/285084436.db2.gz IQVOQSMMIWJXJG-GARJFASQSA-N 0 0 256.346 0.546 10 0 CCAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)N2CCCC[C@H]2C)C1 ZINC000335362059 208275864 /nfs/dbraw/zinc/27/58/64/208275864.db2.gz XZYXDAGAJBXITE-DGCLKSJQSA-N 0 0 295.383 0.515 10 0 CCAERN O=C1NCCCC[C@H]1N1CCCN(CC(F)F)CC1 ZINC000180554693 296366092 /nfs/dbraw/zinc/36/60/92/296366092.db2.gz OZCJXJSZBFZCDY-LLVKDONJSA-N 0 0 275.343 0.928 10 0 CCAERN C[C@@H]1CCCN(C(=O)[C@@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC000248957031 285092331 /nfs/dbraw/zinc/09/23/31/285092331.db2.gz OSUKWXJQTNJDLR-VWYCJHECSA-N 0 0 254.330 0.668 10 0 CCAERN CO[C@@H]1CC[C@H](NC(=O)N2CCOC[C@H]2C[C@@H](C)O)C1 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0.608 10 0 CCAERN C[C@](O)(CNC(=O)[C@H]1CNC(=O)C1)c1cccc(Cl)c1 ZINC000185101214 388786621 /nfs/dbraw/zinc/78/66/21/388786621.db2.gz KRWAPQDYPZFALJ-OTYXRUKQSA-N 0 0 296.754 0.800 10 0 CCAERN C[C@@H](NC(N)=O)C(=O)NCCc1c[nH]c2ccccc12 ZINC000026564872 388821999 /nfs/dbraw/zinc/82/19/99/388821999.db2.gz SRRNRPAMHMBYTI-SECBINFHSA-N 0 0 274.324 0.883 10 0 CCAERN CC(=O)Nc1cccc(NC(=O)[C@@H](C)NC(N)=O)c1 ZINC000027403244 388824009 /nfs/dbraw/zinc/82/40/09/388824009.db2.gz YQRMDPHFILEHLB-SSDOTTSWSA-N 0 0 264.285 0.640 10 0 CCAERN COC1(CNC(=O)[C@H]2CNC(=O)C2)CCCCC1 ZINC000186338264 388832867 /nfs/dbraw/zinc/83/28/67/388832867.db2.gz HQDGCNWOIFDUGQ-SNVBAGLBSA-N 0 0 254.330 0.588 10 0 CCAERN Cc1cc(CC(=O)N2CCOC[C@@H]2[C@H]2CCC[C@H]2O)[nH]n1 ZINC000286223268 388839052 /nfs/dbraw/zinc/83/90/52/388839052.db2.gz KCVZHANQRAMADY-MGPQQGTHSA-N 0 0 293.367 0.649 10 0 CCAERN CN1C(=O)Cc2ccccc2[C@H]1C(=O)N1CCOCC1 ZINC000064542222 388941624 /nfs/dbraw/zinc/94/16/24/388941624.db2.gz RJDFNDTYFGKAKW-AWEZNQCLSA-N 0 0 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O=C([O-])CS(=O)(=O)CC[NH2+]C[C@H]1CCC2(CCC2)O1 ZINC000711463429 955039051 /nfs/dbraw/zinc/03/90/51/955039051.db2.gz PCDLKNQGLVMVCP-SNVBAGLBSA-N 0 0 291.369 0.177 10 0 CCAERN C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C(=O)[O-] ZINC000715817992 955121450 /nfs/dbraw/zinc/12/14/50/955121450.db2.gz LPPHPTJVZLQTJL-MNOVXSKESA-N 0 0 266.341 0.651 10 0 CCAERN Cn1ncc(C(=O)[O-])c1C[NH2+]CC[C@@H](O)C(F)(F)F ZINC000717274779 955138942 /nfs/dbraw/zinc/13/89/42/955138942.db2.gz AIUYFTFNPSABMQ-MRVPVSSYSA-N 0 0 281.234 0.521 10 0 CCAERN Cn1ccc(C[N@H+](C)CC2(O)CCC(C(=O)[O-])CC2)n1 ZINC000723495874 955200875 /nfs/dbraw/zinc/20/08/75/955200875.db2.gz YGDHHUSEFZKPJC-UHFFFAOYSA-N 0 0 281.356 0.858 10 0 CCAERN Cn1ncc(C(=O)[O-])c1C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000724685416 955209663 /nfs/dbraw/zinc/20/96/63/955209663.db2.gz RITJRSXZCKDMNN-SKDRFNHKSA-N 0 0 265.313 0.729 10 0 CCAERN O=C([O-])[C@H](CNC(=O)NCC[NH+]1CCC1)C1CCC1 ZINC000704636993 969005607 /nfs/dbraw/zinc/00/56/07/969005607.db2.gz CXBNNOUHCMCTJF-LLVKDONJSA-N 0 0 269.345 0.492 10 0 CCAERN O=C([O-])C1CCC(O)(C[NH2+]CC[C@H](O)C(F)(F)F)CC1 ZINC000717280585 969091808 /nfs/dbraw/zinc/09/18/08/969091808.db2.gz XPXMCCDQWSVIDM-YUCVTWSNSA-N 0 0 299.289 0.895 10 0 CCAERN C[C@H](CN1CCOCC1)C[N@@H+]1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000719945293 969107265 /nfs/dbraw/zinc/10/72/65/969107265.db2.gz MOMZHVQUPHKAOV-RDBSUJKOSA-N 0 0 284.400 0.997 10 0 CCAERN C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)C1(C(=O)[O-])CC1 ZINC000720887698 969111963 /nfs/dbraw/zinc/11/19/63/969111963.db2.gz LSVZFWXMINSMPL-ZJUUUORDSA-N 0 0 252.314 0.546 10 0 CCAERN CN1CC[NH2+]C[C@@H]1C(=O)NC1(CC(=O)[O-])CCCCC1 ZINC000686119123 976100198 /nfs/dbraw/zinc/10/01/98/976100198.db2.gz UNZMFOBRSJMSSU-LLVKDONJSA-N 0 0 283.372 0.184 10 0 CCAERN [NH3+][C@H](CCC(=O)[O-])C(=O)N1CCO[C@@H](C(F)F)CC1 ZINC000687578164 976149707 /nfs/dbraw/zinc/14/97/07/976149707.db2.gz PUKYIMLJIDSIQQ-HTQZYQBOSA-N 0 0 280.271 0.061 10 0 CCAERN CCN(CC(=O)[O-])C(=O)c1cc2c(s1)CC[NH2+]C2 ZINC000688053035 976163393 /nfs/dbraw/zinc/16/33/93/976163393.db2.gz LEQSQPGBUGNOGE-UHFFFAOYSA-N 0 0 268.338 0.941 10 0 CCAERN C/C(=C\CNC(=O)N1CC[C@@H](C[NH+](C)C)C1)C(=O)[O-] ZINC000688470772 976180861 /nfs/dbraw/zinc/18/08/61/976180861.db2.gz QIHLSZPCXCCQQY-INJWIWPUSA-N 0 0 269.345 0.610 10 0 CCAERN CCN(CCC(F)(F)F)C(=O)[C@H]([NH3+])CCC(=O)[O-] ZINC000689101998 976223215 /nfs/dbraw/zinc/22/32/15/976223215.db2.gz RZLRLDBZXBTDEK-SSDOTTSWSA-N 0 0 270.251 0.979 10 0 CCAERN COC(=O)N(C)CC[NH2+]Cc1ccc(C(=O)[O-])o1 ZINC000689497341 976257131 /nfs/dbraw/zinc/25/71/31/976257131.db2.gz UAJYUJQSMXUHMU-UHFFFAOYSA-N 0 0 256.258 0.766 10 0 CCAERN COC(=O)N1CCC([NH2+][C@H](C(=O)[O-])C2CC2)CC1 ZINC000689585042 976260122 /nfs/dbraw/zinc/26/01/22/976260122.db2.gz PUTYYXNMTZYNAT-JTQLQIEISA-N 0 0 256.302 0.670 10 0 CCAERN O=C([O-])C[C@@H](CNC(=O)C[C@@H]1CC[NH2+]C1)C1CC1 ZINC000690465944 976301490 /nfs/dbraw/zinc/30/14/90/976301490.db2.gz SLBOWYKDUBPJNQ-ONGXEEELSA-N 0 0 254.330 0.603 10 0 CCAERN CC(C)C[C@H]([NH3+])C(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC000690477541 976303709 /nfs/dbraw/zinc/30/37/09/976303709.db2.gz ZRSWFCBDIPIZFT-QWRGUYRKSA-N 0 0 256.346 0.977 10 0 CCAERN CC(C)(C)n1nnc(CN2CCC[C@@H]2CC(=O)[O-])n1 ZINC000690591582 976324665 /nfs/dbraw/zinc/32/46/65/976324665.db2.gz QBKAOYKHELFFMU-SECBINFHSA-N 0 0 267.333 0.867 10 0 CCAERN Cc1cc(C[N@@H+]2CC[C@H](CC(N)=O)C2)oc1C(=O)[O-] ZINC000690783131 976333131 /nfs/dbraw/zinc/33/31/31/976333131.db2.gz HWIWUMTYDYUCFD-SECBINFHSA-N 0 0 266.297 0.984 10 0 CCAERN CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H](CC(F)(F)F)C(=O)[O-] ZINC000690933151 976342323 /nfs/dbraw/zinc/34/23/23/976342323.db2.gz FGPWJHLSMFEIAM-FXQIFTODSA-N 0 0 282.262 0.896 10 0 CCAERN CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(C(=O)[O-])o1 ZINC000690988999 976344968 /nfs/dbraw/zinc/34/49/68/976344968.db2.gz AZBYQFIDVLHRTK-VHSXEESVSA-N 0 0 266.297 0.982 10 0 CCAERN CC[C@H]([NH2+]C)C(=O)N[C@H](C(=O)[O-])c1cccs1 ZINC000691985425 976393881 /nfs/dbraw/zinc/39/38/81/976393881.db2.gz MYMGXEHRMJDWPD-CBAPKCEASA-N 0 0 256.327 0.988 10 0 CCAERN CC(C)C[NH2+]CC(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC000692198758 976403731 /nfs/dbraw/zinc/40/37/31/976403731.db2.gz CIAIMWHACPWPID-WDEREUQCSA-N 0 0 256.346 0.992 10 0 CCAERN C/C(=C/CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)C(=O)[O-] ZINC000692407105 976448227 /nfs/dbraw/zinc/44/82/27/976448227.db2.gz FBGNFLIJAWBUNA-XAPDAFRNSA-N 0 0 281.356 0.895 10 0 CCAERN COC[C@@]1(C(=O)[O-])CCCN1C[C@@H](O)C[N@H+](C)C(C)C ZINC000692408257 976448735 /nfs/dbraw/zinc/44/87/35/976448735.db2.gz IWJYOZCUHBSRPE-GXTWGEPZSA-N 0 0 288.388 0.253 10 0 CCAERN O=C([O-])C[N@@H+](Cc1ccccc1)C[C@H]1CNC(=O)C1 ZINC000692414987 976457025 /nfs/dbraw/zinc/45/70/25/976457025.db2.gz RQEJBNAXKLUDKM-GFCCVEGCSA-N 0 0 262.309 0.709 10 0 CCAERN COC1(C[N@H+]2C[C@H](C(=O)[O-])C[C@H](O)C2)CCCC1 ZINC000692463995 976494870 /nfs/dbraw/zinc/49/48/70/976494870.db2.gz WVKDANMUQDMWJL-MNOVXSKESA-N 0 0 257.330 0.713 10 0 CCAERN CN(C(=O)C[C@H]1CSCC[NH2+]1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000693015048 976565837 /nfs/dbraw/zinc/56/58/37/976565837.db2.gz NMOPLYOHUVGQEE-LPEHRKFASA-N 0 0 272.370 0.403 10 0 CCAERN C[C@H]1C[C@H](NC(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)CC[N@@H+]1C ZINC000693039570 976575903 /nfs/dbraw/zinc/57/59/03/976575903.db2.gz NGJPUBZXVLEGPQ-NNYUYHANSA-N 0 0 283.372 0.974 10 0 CCAERN CC(C)(C)[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)C1 ZINC000693861985 976657431 /nfs/dbraw/zinc/65/74/31/976657431.db2.gz LRHVSWMGZJELDI-AXFHLTTASA-N 0 0 284.356 0.608 10 0 CCAERN C[C@H](Cc1ccccn1)[NH2+]CCn1cc(C(=O)[O-])nn1 ZINC000694029109 976663672 /nfs/dbraw/zinc/66/36/72/976663672.db2.gz QCUZONSRBPQGCT-SNVBAGLBSA-N 0 0 275.312 0.592 10 0 CCAERN CC[C@@]1(C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)CC[NH2+]C1 ZINC000694874876 976729881 /nfs/dbraw/zinc/72/98/81/976729881.db2.gz WFVRRGZPYQOQLX-ZWNOBZJWSA-N 0 0 252.314 0.666 10 0 CCAERN CC(C)C[C@@H](C(=O)[O-])[NH+]1CCN(CC(C)(C)O)CC1 ZINC000695084099 976776197 /nfs/dbraw/zinc/77/61/97/976776197.db2.gz QWKHENOLHCVOLD-LBPRGKRZSA-N 0 0 272.389 0.874 10 0 CCAERN CC(=O)N[C@@H](CSCCC[NH+]1CCOCC1)C(=O)[O-] ZINC000695233985 976788975 /nfs/dbraw/zinc/78/89/75/976788975.db2.gz LVUFCUNXVYFEJF-NSHDSACASA-N 0 0 290.385 0.031 10 0 CCAERN [NH3+][C@@H]1CC=C(C(=O)NCC2(C(=O)[O-])CCCC2)C1 ZINC000695643862 976798766 /nfs/dbraw/zinc/79/87/66/976798766.db2.gz NYZIJFVHBULECW-SNVBAGLBSA-N 0 0 252.314 0.795 10 0 CCAERN C[C@]1(CO)C[C@H](O)C[N@@H+]1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000698138222 976880026 /nfs/dbraw/zinc/88/00/26/976880026.db2.gz PABKOVVTZYPUCL-IINYFYTJSA-N 0 0 283.299 0.842 10 0 CCAERN C[C@@]1(CO)C[C@H](O)C[N@@H+]1Cc1ccsc1C(=O)[O-] ZINC000698137871 976880217 /nfs/dbraw/zinc/88/02/17/976880217.db2.gz MNYNFFAMMABVPP-CABZTGNLSA-N 0 0 271.338 0.764 10 0 CCAERN C[N@@H+]1CCN(Cc2ccccc2CC(=O)[O-])[C@H](CO)C1 ZINC000699530092 976920803 /nfs/dbraw/zinc/92/08/03/976920803.db2.gz WKBQTHCFDOUSAV-AWEZNQCLSA-N 0 0 278.352 0.422 10 0 CCAERN C[C@@H]([NH2+]C[C@H]1COCCN1C)c1ncc(C(=O)[O-])s1 ZINC000700176841 976935347 /nfs/dbraw/zinc/93/53/47/976935347.db2.gz OECVZPKCCYVCAF-BDAKNGLRSA-N 0 0 285.369 0.823 10 0 CCAERN O=C([O-])c1cc(C(=O)N2CCC([NH+]3CCC3)CC2)no1 ZINC000700370842 976952682 /nfs/dbraw/zinc/95/26/82/976952682.db2.gz MBMDVUNETBCCPU-UHFFFAOYSA-N 0 0 279.296 0.683 10 0 CCAERN O=C(C[N@H+]1C[C@@H]2CCC[C@]2(C(=O)[O-])C1)NCC1CC1 ZINC000701455637 977014385 /nfs/dbraw/zinc/01/43/85/977014385.db2.gz CRCPODPATVFANC-FZMZJTMJSA-N 0 0 266.341 0.699 10 0 CCAERN O=C([O-])c1coc(C[NH2+]C[C@@]2(O)CCSC2)c1 ZINC000702307473 977076659 /nfs/dbraw/zinc/07/66/59/977076659.db2.gz RFEQKRHXYRTTDY-NSHDSACASA-N 0 0 257.311 0.935 10 0 CCAERN C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)C1 ZINC000702568540 977092258 /nfs/dbraw/zinc/09/22/58/977092258.db2.gz BBLNWRHLVHJUDT-GYSYKLTISA-N 0 0 284.356 0.060 10 0 CCAERN CO[C@H]1CN(C(=O)C[C@H]2CC[NH2+]C2)[C@@](C)(C(=O)[O-])C1 ZINC000702721148 977103233 /nfs/dbraw/zinc/10/32/33/977103233.db2.gz XMQSOSQFJVXGOD-GIPNMCIBSA-N 0 0 270.329 0.077 10 0 CCAERN CO[C@H]1CN(C(=O)CCC(C)(C)[NH3+])[C@@](C)(C(=O)[O-])C1 ZINC000702721643 977105378 /nfs/dbraw/zinc/10/53/78/977105378.db2.gz YOMHRFSLFMYDLX-NOZJJQNGSA-N 0 0 272.345 0.595 10 0 CCAERN [NH3+][C@H](Cc1cn(Cc2ncccc2Cl)nn1)C(=O)[O-] ZINC000703863944 977208031 /nfs/dbraw/zinc/20/80/31/977208031.db2.gz NXNLHIOBCAKSIH-SECBINFHSA-N 0 0 281.703 0.329 10 0 CCAERN O=C([O-])[C@]1(O)CC[N@H+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000706450317 977324851 /nfs/dbraw/zinc/32/48/51/977324851.db2.gz BXKDAWWLBLOFQR-FZMZJTMJSA-N 0 0 269.341 1.000 10 0 CCAERN CC[C@@H]([NH2+]C)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC000709304412 977455566 /nfs/dbraw/zinc/45/55/66/977455566.db2.gz JPTVFFCCAHAECC-BXKDBHETSA-N 0 0 278.308 0.863 10 0 CCAERN CC1(C)C[NH2+][C@@H]1C(=O)N1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-] ZINC000710104057 977480814 /nfs/dbraw/zinc/48/08/14/977480814.db2.gz UYCGJZKAAUFLDJ-ZRUFSTJUSA-N 0 0 266.341 0.696 10 0 CCAERN C[C@H]1C[N@H+](CC2(CS(C)(=O)=O)CC2)C[C@]1(C)C(=O)[O-] ZINC000710203525 977493270 /nfs/dbraw/zinc/49/32/70/977493270.db2.gz DNVSDDLBRMQPGU-JQWIXIFHSA-N 0 0 289.397 0.854 10 0 CCAERN CC[N@@H+]1CC[C@H]1CNC(=O)NCC(C)(C)C(=O)[O-] ZINC000710254334 977498160 /nfs/dbraw/zinc/49/81/60/977498160.db2.gz FUTCLXIKMFGTOR-VIFPVBQESA-N 0 0 257.334 0.491 10 0 CCAERN CC[N@@H+]1CC[C@@H]1CNC(=O)Nc1ccc(C(=O)[O-])nc1 ZINC000710326252 977503676 /nfs/dbraw/zinc/50/36/76/977503676.db2.gz JADYWRRBSVTXAK-SNVBAGLBSA-N 0 0 278.312 0.996 10 0 CCAERN [NH3+]C[C@]1(C(=O)NC[C@@H](CC2CC2)C(=O)[O-])CCCOC1 ZINC000710365597 977506643 /nfs/dbraw/zinc/50/66/43/977506643.db2.gz SDUXQQPIYTUBNN-BXUZGUMPSA-N 0 0 284.356 0.359 10 0 CCAERN C[C@](O)(C[N@@H+]1CC[C@@H](c2nccs2)C1)C(=O)[O-] ZINC000710691890 977519551 /nfs/dbraw/zinc/51/95/51/977519551.db2.gz KUTYFFDJNWJPJS-KCJUWKMLSA-N 0 0 256.327 0.768 10 0 CCAERN [NH3+][C@H]1CC[C@H](C(=O)N2CCCC[C@@H]2C(=O)[O-])CC1 ZINC000710874962 977526486 /nfs/dbraw/zinc/52/64/86/977526486.db2.gz FKMMAMQAYKKZGG-GMTAPVOTSA-N 0 0 254.330 0.970 10 0 CCAERN CC1(C)C[NH2+]C[C@@H]1C(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC000711230241 977530009 /nfs/dbraw/zinc/53/00/09/977530009.db2.gz XGTXHOVVXBAXGX-GHMZBOCLSA-N 0 0 268.357 0.849 10 0 CCAERN CC1(C)C[NH2+]C[C@H]1C(=O)N[C@H](Cc1cncs1)C(=O)[O-] ZINC000711344677 977535963 /nfs/dbraw/zinc/53/59/63/977535963.db2.gz UPANIHDIOYMBKR-VHSXEESVSA-N 0 0 297.380 0.501 10 0 CCAERN CC(C)NC(=O)C[N@@H+]1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC000711693008 977567256 /nfs/dbraw/zinc/56/72/56/977567256.db2.gz RZQGWJQPVWVEKR-MFKMUULPSA-N 0 0 254.330 0.840 10 0 CCAERN COC[C@H](NC(=O)C(C)(C)[C@H]([NH3+])C(C)C)C(=O)[O-] ZINC000712988437 977626945 /nfs/dbraw/zinc/62/69/45/977626945.db2.gz HNMIPEYKPRGGNP-DTWKUNHWSA-N 0 0 260.334 0.212 10 0 CCAERN [NH3+]C[C@H]1C[C@H]1C(=O)NCC1(C(=O)[O-])CCCCC1 ZINC000715063376 977689736 /nfs/dbraw/zinc/68/97/36/977689736.db2.gz AWVDGKAYJCQMPW-NXEZZACHSA-N 0 0 254.330 0.733 10 0 CCAERN CN(C(=O)NC[C@H]1C[C@H]1C(=O)[O-])C1CC[NH2+]CC1 ZINC000715249889 977706610 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O=C([O-])[C@H]1[C@@H](C[NH2+]CCCN2CCOCC2)C1(F)F ZINC000715309337 977737340 /nfs/dbraw/zinc/73/73/40/977737340.db2.gz OJVLFPVLJVUAAI-NXEZZACHSA-N 0 0 278.299 0.264 10 0 CCAERN O=C([O-])[C@H]1[C@H](C[NH2+]CC(=O)NCc2ccco2)C1(F)F ZINC000715334388 977745248 /nfs/dbraw/zinc/74/52/48/977745248.db2.gz MKAGRMAWROWVKZ-WCBMZHEXSA-N 0 0 288.250 0.451 10 0 CCAERN O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC000715869120 977795884 /nfs/dbraw/zinc/79/58/84/977795884.db2.gz FYUHRHMIQJKCKX-BFVZDQMLSA-N 0 0 264.325 0.452 10 0 CCAERN Cc1cccnc1C[NH2+]C[C@H]1CCO[C@H]1C(=O)[O-] ZINC000716200863 977816469 /nfs/dbraw/zinc/81/64/69/977816469.db2.gz CFJAYXGPSCQNCB-ZYHUDNBSSA-N 0 0 250.298 0.969 10 0 CCAERN O=C([O-])[C@@H]1C[C@H](O)C[N@H+]1C[C@@H]1CCC2(CCC2)CO1 ZINC000716288360 977826644 /nfs/dbraw/zinc/82/66/44/977826644.db2.gz ZGWXOTFICLVRAW-SRVKXCTJSA-N 0 0 269.341 0.856 10 0 CCAERN [NH3+]C1CC(CC(=O)N[C@@H](Cc2cncs2)C(=O)[O-])C1 ZINC000718092252 977946907 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/nfs/dbraw/zinc/29/30/49/179293049.db2.gz FUIQNPYPDMQUOX-JTQLQIEISA-N 0 0 282.344 0.629 10 0 CCAERN Cc1ccc([C@@H]2CN([C@H](C)C(=O)NC(N)=O)CCO2)o1 ZINC000246092600 136976803 /nfs/dbraw/zinc/97/68/03/136976803.db2.gz CNEUVHGJGZBHAL-KOLCDFICSA-N 0 0 281.312 0.545 10 0 CCAERN CC(C)C[C@H](CCO)CNC(=O)[C@@H]1COCCN1 ZINC000262610092 137047998 /nfs/dbraw/zinc/04/79/98/137047998.db2.gz AQQGJHSQJXXWJF-RYUDHWBXSA-N 0 0 258.362 0.136 10 0 CCAERN CC(C)C1(C(=O)N2CCO[C@H](C[N@H+](C)CC(=O)[O-])C2)CC1 ZINC000262767798 137052693 /nfs/dbraw/zinc/05/26/93/137052693.db2.gz AXRKVHHOMPIMMO-GFCCVEGCSA-N 0 0 298.383 0.666 10 0 CCAERN Cc1ccccc1[C@@H](O)CNC(=O)C1([NH3+])CCOCC1 ZINC000261861864 137022997 /nfs/dbraw/zinc/02/29/97/137022997.db2.gz NDXKWXQJFBLLCF-ZDUSSCGKSA-N 0 0 278.352 0.653 10 0 CCAERN CCNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262249538 137032948 /nfs/dbraw/zinc/03/29/48/137032948.db2.gz ZFJNFAVUOJUXKV-TVQRCGJNSA-N 0 0 283.328 0.019 10 0 CCAERN 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/nfs/dbraw/zinc/14/89/18/137148918.db2.gz UPIJTVQFMHJMOB-USWWRNFRSA-N 0 0 281.331 0.456 10 0 CCAERN CO[C@@H]1C[C@H](CO)N(c2ccc3nnc(C)n3n2)C1 ZINC000343707603 137151706 /nfs/dbraw/zinc/15/17/06/137151706.db2.gz JVSGWUUZWUPNAJ-NXEZZACHSA-N 0 0 263.301 0.019 10 0 CCAERN CO[C@H]1C[C@H](CO)N(c2cncc(-n3cccn3)n2)C1 ZINC000343792410 137157774 /nfs/dbraw/zinc/15/77/74/137157774.db2.gz WADIVDGTLWAJAQ-MNOVXSKESA-N 0 0 275.312 0.248 10 0 CCAERN CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC(CO)C1 ZINC000408328337 137866971 /nfs/dbraw/zinc/86/69/71/137866971.db2.gz JKLXMFBSHNIAOJ-NEPJUHHUSA-N 0 0 256.346 0.681 10 0 CCAERN COC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O ZINC000003460104 347982601 /nfs/dbraw/zinc/98/26/01/347982601.db2.gz QYPAMQULJFPTJO-ZDUSSCGKSA-N 0 0 262.265 0.627 10 0 CCAERN CC(C)C[C@H]([NH3+])[C@@H](O)C(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000027424252 348099611 /nfs/dbraw/zinc/09/96/11/348099611.db2.gz GPOZZLLZFGFHTR-GARJFASQSA-N 0 0 274.361 0.336 10 0 CCAERN CN(C)S(=O)(=O)c1ccc2nc(N)nc(N)c2c1 ZINC000029464242 348112341 /nfs/dbraw/zinc/11/23/41/348112341.db2.gz JBMPEVORXSDTPB-UHFFFAOYSA-N 0 0 267.314 0.045 10 0 CCAERN COC[C@@H]1C[C@H](OC)CN1C(=O)C(=O)N1CCC(C)CC1 ZINC000344809920 137214720 /nfs/dbraw/zinc/21/47/20/137214720.db2.gz FKTXVJMRBRKRAH-STQMWFEESA-N 0 0 298.383 0.507 10 0 CCAERN COCCNC(=O)[C@H](Cc1ccccc1)n1cnnn1 ZINC000024258834 348086792 /nfs/dbraw/zinc/08/67/92/348086792.db2.gz IDYCFSBQFZIZFB-LBPRGKRZSA-N 0 0 275.312 0.220 10 0 CCAERN CO[C@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H](O)[C@H]1O ZINC000034137458 348148736 /nfs/dbraw/zinc/14/87/36/348148736.db2.gz VVSWDMJYIDBTMV-FDFVQJQPSA-N 0 0 282.292 0.194 10 0 CCAERN CCOC(=O)[C@@H](CC(N)=O)NC(=O)OCc1ccccc1 ZINC000034051675 348149204 /nfs/dbraw/zinc/14/92/04/348149204.db2.gz QWZKOFAVRZENGY-LLVKDONJSA-N 0 0 294.307 0.720 10 0 CCAERN CNC(=O)[C@H]1CCCN(c2cncc3nncn32)C1 ZINC000408331216 137867167 /nfs/dbraw/zinc/86/71/67/137867167.db2.gz VYPQZZKWDKNDFE-VIFPVBQESA-N 0 0 260.301 0.087 10 0 CCAERN CN(C)c1nc(CN2CC[C@H](CCO)C2)ns1 ZINC000328617754 201968146 /nfs/dbraw/zinc/96/81/46/201968146.db2.gz ULGZMXZGZSWWOO-SECBINFHSA-N 0 0 256.375 0.808 10 0 CCAERN Cc1csc2nc3c(c(=O)n(C)c(=O)n3C)n12 ZINC000039279160 348228888 /nfs/dbraw/zinc/22/88/88/348228888.db2.gz VIYCUQNPWGBASX-UHFFFAOYSA-N 0 0 250.283 0.255 10 0 CCAERN CO[C@H]1C[C@@H](CO)N(C(=O)c2cnc(C)s2)C1 ZINC000345523446 137241665 /nfs/dbraw/zinc/24/16/65/137241665.db2.gz PYTLUXXBNVEERK-IUCAKERBSA-N 0 0 256.327 0.673 10 0 CCAERN C[C@@H](NC(=O)c1ccon1)c1ccc(S(N)(=O)=O)cc1 ZINC000044586648 348322484 /nfs/dbraw/zinc/32/24/84/348322484.db2.gz NQDYBWGBBIPTQQ-MRVPVSSYSA-N 0 0 295.320 0.813 10 0 CCAERN COc1ccc([C@H](C)NC(=O)Cn2cnnn2)cc1OC ZINC000045486049 348337108 /nfs/dbraw/zinc/33/71/08/348337108.db2.gz FMRBZNDVNHFBKW-VIFPVBQESA-N 0 0 291.311 0.568 10 0 CCAERN C[C@@H]1C(=O)NCCN1C(=O)c1ccc(F)cc1N ZINC000104135542 185906025 /nfs/dbraw/zinc/90/60/25/185906025.db2.gz DGPVUYIPQGPHIR-SSDOTTSWSA-N 0 0 251.261 0.368 10 0 CCAERN O=C(CCn1cncn1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000046489408 348358215 /nfs/dbraw/zinc/35/82/15/348358215.db2.gz NTVSHAAGFAQWQL-RYUDHWBXSA-N 0 0 264.329 0.838 10 0 CCAERN O=C([C@@H]1CCS(=O)(=O)C1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000046493740 348358636 /nfs/dbraw/zinc/35/86/36/348358636.db2.gz UWMINEILKUQJOD-IJLUTSLNSA-N 0 0 287.381 0.591 10 0 CCAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)N1CCNC(=O)C1 ZINC000046867270 348364413 /nfs/dbraw/zinc/36/44/13/348364413.db2.gz YCHCJLPWWVDIRX-JTQLQIEISA-N 0 0 290.323 0.155 10 0 CCAERN CN(CCc1ccncc1)C(=O)C1=NNC(=O)CC1 ZINC000048260917 348404035 /nfs/dbraw/zinc/40/40/35/348404035.db2.gz JZHDBRMLBPKVNE-UHFFFAOYSA-N 0 0 260.297 0.349 10 0 CCAERN C[C@H](NC(N)=O)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000048927710 348430186 /nfs/dbraw/zinc/43/01/86/348430186.db2.gz DRXSJVNWEHHMHO-WCBMZHEXSA-N 0 0 263.297 0.683 10 0 CCAERN O=C(N[C@@H]1CC[S@](=O)C1)N1CC[C@@H]([C@H]2CCOC2)C1 ZINC000333027508 295789330 /nfs/dbraw/zinc/78/93/30/295789330.db2.gz BKOXIOFADVOZLP-GHMWRUEGSA-N 0 0 286.397 0.575 10 0 CCAERN Cc1noc(COCC(=O)N2CC[C@@H]3OCCC[C@@H]3C2)n1 ZINC000120529452 349991439 /nfs/dbraw/zinc/99/14/39/349991439.db2.gz LCVCNYKSMPXEAW-NEPJUHHUSA-N 0 0 295.339 0.922 10 0 CCAERN CN(C)c1nc(N)nc(CN2CCC[C@@H]2CCCO)n1 ZINC000052763095 348514554 /nfs/dbraw/zinc/51/45/54/348514554.db2.gz SCZARZLNNMAADL-SNVBAGLBSA-N 0 0 280.376 0.257 10 0 CCAERN CC[C@@]1(C)NC(=O)N(CC(=O)N[C@@H](C)C(C)C)C1=O ZINC000057495168 348610403 /nfs/dbraw/zinc/61/04/03/348610403.db2.gz MKGMPNSTHOTOPR-TVQRCGJNSA-N 0 0 269.345 0.868 10 0 CCAERN CC(C)(C)OC(=O)N1CC[N@@H+]2C[C@@H](c3nnn[n-]3)C[C@@H]2C1 ZINC000056705146 348593857 /nfs/dbraw/zinc/59/38/57/348593857.db2.gz KPJGJAMQQDPGGT-VHSXEESVSA-N 0 0 294.359 0.608 10 0 CCAERN COc1ccc2c(c1)CCN2C(=O)[C@@H](C)NC(N)=O ZINC000058904951 348633971 /nfs/dbraw/zinc/63/39/71/348633971.db2.gz NQQHWOLMNQZSCZ-MRVPVSSYSA-N 0 0 263.297 0.641 10 0 CCAERN CS(=O)(=O)NCCC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000058929220 348634558 /nfs/dbraw/zinc/63/45/58/348634558.db2.gz ACBPIJCRSQAUDK-GHMZBOCLSA-N 0 0 290.385 0.096 10 0 CCAERN C[C@@H](CNC(=O)[C@H](C)OCC1CC1)N1CCOCC1 ZINC000068286022 348805964 /nfs/dbraw/zinc/80/59/64/348805964.db2.gz SZADCGAPHHXNIC-RYUDHWBXSA-N 0 0 270.373 0.638 10 0 CCAERN CC(=O)N1CC[C@@H](NC(=O)NC[C@H](O)C(C)(C)C)C1 ZINC000120718141 350000836 /nfs/dbraw/zinc/00/08/36/350000836.db2.gz LZJYJHRSFMIFQY-MNOVXSKESA-N 0 0 271.361 0.313 10 0 CCAERN CC[C@H](C(N)=O)n1cc(I)cn1 ZINC000070678343 348895105 /nfs/dbraw/zinc/89/51/05/348895105.db2.gz WCTFXBOKCYFACS-ZCFIWIBFSA-N 0 0 279.081 0.924 10 0 CCAERN NC(=S)Cn1cc(I)cn1 ZINC000070677680 348895113 /nfs/dbraw/zinc/89/51/13/348895113.db2.gz OJUXLPULQXBWPW-UHFFFAOYSA-N 0 0 267.095 0.774 10 0 CCAERN C[C@@H](NC(=O)NCC(C)(C)N1CCOCC1)[C@H]1CCCO1 ZINC000071913071 348912628 /nfs/dbraw/zinc/91/26/28/348912628.db2.gz KDBBLIWRRNDSDH-CHWSQXEVSA-N 0 0 299.415 0.964 10 0 CCAERN CC[C@@H]1SC[C@H](C(=O)[O-])N1C(=O)[C@@H]1CC[NH2+]C1 ZINC000104279166 185952876 /nfs/dbraw/zinc/95/28/76/185952876.db2.gz PQCAVBBYZCQCBJ-HLTSFMKQSA-N 0 0 258.343 0.361 10 0 CCAERN NC(=O)NCc1ccc(C(=O)NC[C@@H]2CCC[C@@H]2O)cc1 ZINC000089162079 179730365 /nfs/dbraw/zinc/73/03/65/179730365.db2.gz FKWFUHAXSTXOLO-STQMWFEESA-N 0 0 291.351 0.746 10 0 CCAERN C[C@@H]1CN(C(=O)CN2CCCNC2=O)C[C@@H](C)O1 ZINC000075815026 349052437 /nfs/dbraw/zinc/05/24/37/349052437.db2.gz HSTUVHAUYYIDAU-NXEZZACHSA-N 0 0 255.318 0.038 10 0 CCAERN O=S(=O)(NCc1ccccc1)C1=CCS(=O)(=O)C1 ZINC000074934100 349015141 /nfs/dbraw/zinc/01/51/41/349015141.db2.gz PPMQGLBUACLMEO-UHFFFAOYSA-N 0 0 287.362 0.418 10 0 CCAERN Cc1cc(C(=O)N[C@H]2C[C@@H]2C)c2c(=O)[nH]n(C)c2n1 ZINC000075515663 349035939 /nfs/dbraw/zinc/03/59/39/349035939.db2.gz GFNNQKVEKHKKGH-RCOVLWMOSA-N 0 0 260.297 0.708 10 0 CCAERN Cc1cc(S(N)(=O)=O)sc1C(=O)N[C@H]1C[C@@H]1C ZINC000075511134 349036016 /nfs/dbraw/zinc/03/60/16/349036016.db2.gz CLHWDKUGGUNUKK-FSPLSTOPSA-N 0 0 274.367 0.842 10 0 CCAERN C[C@H]1C[C@@H]1NC(=O)Cn1cnc2ccccc2c1=O ZINC000075528408 349037188 /nfs/dbraw/zinc/03/71/88/349037188.db2.gz MLZJVGKZDKUQFP-CABZTGNLSA-N 0 0 257.293 0.921 10 0 CCAERN CNC(=O)c1cccc(NC(=O)C(=O)N[C@H]2C[C@@H]2C)c1 ZINC000076098987 349069113 /nfs/dbraw/zinc/06/91/13/349069113.db2.gz HRLOMEHQWUCSMK-KWQFWETISA-N 0 0 275.308 0.509 10 0 CCAERN C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1cc(C(N)=O)ccc1F ZINC000076098454 349069453 /nfs/dbraw/zinc/06/94/53/349069453.db2.gz XPIKZOXAPQGESC-MUWHJKNJSA-N 0 0 279.271 0.388 10 0 CCAERN CC(=O)N1CCCN(C(=O)N[C@H](C)[C@H]2CCCO2)CC1 ZINC000079487590 349179130 /nfs/dbraw/zinc/17/91/30/349179130.db2.gz PXUMHIWZENRJEM-DGCLKSJQSA-N 0 0 283.372 0.818 10 0 CCAERN O=C(N[C@@H]1CCc2c1cccc2O)N1CCO[C@@H](CO)C1 ZINC000079005527 349163424 /nfs/dbraw/zinc/16/34/24/349163424.db2.gz WLIWFAUPQQHDSU-ZWNOBZJWSA-N 0 0 292.335 0.782 10 0 CCAERN CC(C)[C@@H](C)NC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000079122418 349169113 /nfs/dbraw/zinc/16/91/13/349169113.db2.gz FAAQAZNJSVHMRJ-GHMZBOCLSA-N 0 0 291.417 0.754 10 0 CCAERN CCN(CC)S(=O)(=O)CC(=O)N1CCC12CCC2 ZINC000081415843 349263069 /nfs/dbraw/zinc/26/30/69/349263069.db2.gz NKHWIFGOIJAETH-UHFFFAOYSA-N 0 0 274.386 0.813 10 0 CCAERN C[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H]([NH3+])CC(=O)[O-] ZINC000085818000 349335975 /nfs/dbraw/zinc/33/59/75/349335975.db2.gz GPPRWHIUOAXMJM-KCJUWKMLSA-N 0 0 268.288 0.675 10 0 CCAERN CN1N=C(C(=O)NC[C@@H]2CCCC[C@@H]2O)CCC1=O ZINC000085980144 349338260 /nfs/dbraw/zinc/33/82/60/349338260.db2.gz ZQLGNMDWGVIPHY-ONGXEEELSA-N 0 0 267.329 0.262 10 0 CCAERN O=C(Cc1ccc(F)cc1)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000083856368 349311340 /nfs/dbraw/zinc/31/13/40/349311340.db2.gz KVUYDPUIORXCJH-AWEZNQCLSA-N 0 0 291.282 0.179 10 0 CCAERN CC(C)(C)CC(=O)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000083856286 349311948 /nfs/dbraw/zinc/31/19/48/349311948.db2.gz JPOYVSZNXXTGSY-LBPRGKRZSA-N 0 0 253.302 0.233 10 0 CCAERN C[C@H]1C(=O)N(C[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)C(=O)[C@H]1C ZINC000083976254 349312726 /nfs/dbraw/zinc/31/27/26/349312726.db2.gz QKTUCIYTMLYRHZ-OFTGVCEQSA-N 0 0 298.383 0.098 10 0 CCAERN CN(C)C(=O)Cc1ccc(NC(=O)[C@H]2COCCN2)cc1 ZINC000088358820 349361850 /nfs/dbraw/zinc/36/18/50/349361850.db2.gz LDRXIBVDYVLQHF-CYBMUJFWSA-N 0 0 291.351 0.244 10 0 CCAERN O=C([C@H]1COCCN1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000088370061 349361905 /nfs/dbraw/zinc/36/19/05/349361905.db2.gz BEGYPAZWLOCZAK-RKDXNWHRSA-N 0 0 266.263 0.776 10 0 CCAERN O=C(NC1CCC(O)CC1)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000089099857 349374919 /nfs/dbraw/zinc/37/49/19/349374919.db2.gz QUAMLLBSMGPWDZ-PQAZSJQKSA-N 0 0 298.383 0.879 10 0 CCAERN Nc1nc(N)nc(/C=C/c2cnc3ccccn23)n1 ZINC000089201065 349378865 /nfs/dbraw/zinc/37/88/65/349378865.db2.gz RSKLQPHKPVISAL-SNAWJCMRSA-N 0 0 253.269 0.854 10 0 CCAERN O=S1(=O)N=C(NC[C@@H]2CCC[C@@H]2O)c2ccccc21 ZINC000089166699 349379185 /nfs/dbraw/zinc/37/91/85/349379185.db2.gz GWNNLJPXTKBVHD-ONGXEEELSA-N 0 0 280.349 0.886 10 0 CCAERN COC(=O)C[C@H](C)C(=O)N1CCC[C@H]1c1nncn1C ZINC000120843307 350009008 /nfs/dbraw/zinc/00/90/08/350009008.db2.gz VHCLTCXKDRVPKK-UWVGGRQHSA-N 0 0 280.328 0.678 10 0 CCAERN CC(=O)N1CCC(NC(=O)CN2[C@H](C)COC[C@H]2C)CC1 ZINC000120870078 350010311 /nfs/dbraw/zinc/01/03/11/350010311.db2.gz UNAGDTUWJTYDIO-VXGBXAGGSA-N 0 0 297.399 0.223 10 0 CCAERN COCCC1(C(=O)N[C@H]2CCc3ncnn3C2)CCC1 ZINC000121305724 350032357 /nfs/dbraw/zinc/03/23/57/350032357.db2.gz BUQXNPPOWRAHDU-NSHDSACASA-N 0 0 278.356 0.916 10 0 CCAERN NC(=O)CN1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000121316635 350032600 /nfs/dbraw/zinc/03/26/00/350032600.db2.gz PZBHNBSYDPAVMQ-LDYMZIIASA-N 0 0 256.252 0.558 10 0 CCAERN C[S@@](=O)CCC(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000121467888 350040727 /nfs/dbraw/zinc/04/07/27/350040727.db2.gz MZYGGORLUKBRPK-WYRIXSBYSA-N 0 0 281.381 0.545 10 0 CCAERN CCOc1ccnc(N2CCN(Cc3cc[nH]n3)CC2)n1 ZINC000121520595 350042503 /nfs/dbraw/zinc/04/25/03/350042503.db2.gz BJNFWHPVUZARNV-UHFFFAOYSA-N 0 0 288.355 0.921 10 0 CCAERN Cn1cc(C(=O)C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)cn1 ZINC000121607639 350047684 /nfs/dbraw/zinc/04/76/84/350047684.db2.gz DLHNESFOPJWXBG-IUODEOHRSA-N 0 0 291.351 0.756 10 0 CCAERN COC(=O)CNC(=O)CN1CCCC[C@H]1c1cn[nH]c1 ZINC000121807027 350057462 /nfs/dbraw/zinc/05/74/62/350057462.db2.gz YXTMULIRDDLORI-NSHDSACASA-N 0 0 280.328 0.226 10 0 CCAERN O=C(NCc1ccccc1-n1ccnc1)[C@@H]1CNC(=O)C1 ZINC000124659992 350104374 /nfs/dbraw/zinc/10/43/74/350104374.db2.gz AFNPRQQGHBNZKI-LBPRGKRZSA-N 0 0 284.319 0.625 10 0 CCAERN Cc1cccc(CNC(=O)NC[C@H](C)N2CCOCC2)n1 ZINC000123969224 350086588 /nfs/dbraw/zinc/08/65/88/350086588.db2.gz HXXVDJSQICARSJ-ZDUSSCGKSA-N 0 0 292.383 0.910 10 0 CCAERN Cc1nn(S(=O)(=O)N(C)C)cc1Br ZINC000090550536 180002965 /nfs/dbraw/zinc/00/29/65/180002965.db2.gz KLSILQNUUTWHOG-UHFFFAOYSA-N 0 0 268.136 0.609 10 0 CCAERN [NH3+][C@@H](Cc1csc2ccccc12)C(=O)NCC(=O)[O-] ZINC000090695013 180026379 /nfs/dbraw/zinc/02/63/79/180026379.db2.gz DUIFRTRHDZVNQO-JTQLQIEISA-N 0 0 278.333 0.972 10 0 CCAERN CCOCCN1CCN(C(=O)c2cc[nH]c(=O)c2)C[C@@H]1C ZINC000125438971 350122119 /nfs/dbraw/zinc/12/21/19/350122119.db2.gz CRVZPKYUDBQEIC-LBPRGKRZSA-N 0 0 293.367 0.558 10 0 CCAERN CCC[C@H](C(=O)NC[C@@H](O)COCC(C)C)[NH+](C)C ZINC000127070652 350160716 /nfs/dbraw/zinc/16/07/16/350160716.db2.gz WVBVCMXYBNNPNX-CHWSQXEVSA-N 0 0 274.405 0.866 10 0 CCAERN CSC[C@H](C)C(=O)NC[C@H]1CN(C2CC2)CCO1 ZINC000127645965 350174779 /nfs/dbraw/zinc/17/47/79/350174779.db2.gz LUFXPOHBWQDPEK-JQWIXIFHSA-N 0 0 272.414 0.965 10 0 CCAERN COCCCCNC(=O)NC[C@H]1CN(C)CCO1 ZINC000104783576 186024077 /nfs/dbraw/zinc/02/40/77/186024077.db2.gz KDCDREWLTNVDHG-NSHDSACASA-N 0 0 259.350 0.043 10 0 CCAERN CCS(=O)(=O)NCCNc1nccnc1C(C)C ZINC000413098104 233333230 /nfs/dbraw/zinc/33/32/30/233333230.db2.gz ABJJLBWKUGFAFR-UHFFFAOYSA-N 0 0 272.374 0.373 10 0 CCAERN CN(CC1CC(O)C1)C(=O)CNC(=O)c1ccccc1 ZINC000091463561 180162629 /nfs/dbraw/zinc/16/26/29/180162629.db2.gz BXJKGUZXJTYCAV-UHFFFAOYSA-N 0 0 276.336 0.646 10 0 CCAERN CCc1nnsc1C(=O)N(C)CC1CC(O)C1 ZINC000091490344 180169778 /nfs/dbraw/zinc/16/97/78/180169778.db2.gz MNAKVICEXRDUAB-UHFFFAOYSA-N 0 0 255.343 0.943 10 0 CCAERN COc1ccnc(N2CCC(C(=O)NC[C@@H](C)O)CC2)n1 ZINC000128331039 350190937 /nfs/dbraw/zinc/19/09/37/350190937.db2.gz HGTXMCRHWJHXFB-SNVBAGLBSA-N 0 0 294.355 0.199 10 0 CCAERN CCOCCCNC(=O)N1CCN(C2CC2)CC1 ZINC000105074123 186039757 /nfs/dbraw/zinc/03/97/57/186039757.db2.gz USNCLKODPWABJA-UHFFFAOYSA-N 0 0 255.362 0.903 10 0 CCAERN CN(CC1(CO)CC1)S(=O)(=O)CC(F)(F)F ZINC000408441042 137889831 /nfs/dbraw/zinc/88/98/31/137889831.db2.gz BSONZOFSKMNUOK-UHFFFAOYSA-N 0 0 261.265 0.583 10 0 CCAERN O=C([C@@H]1CCCCC(=O)N1)N1CC[C@H](CCO)C1 ZINC000408448140 137891249 /nfs/dbraw/zinc/89/12/49/137891249.db2.gz PMAXZHLXXJYCGC-MNOVXSKESA-N 0 0 254.330 0.276 10 0 CCAERN C[C@@H]1OCCC[C@@H]1C(=O)N[C@]1(CCO)CCOC1 ZINC000408448175 137891628 /nfs/dbraw/zinc/89/16/28/137891628.db2.gz PUYGHVXKSVSCHF-GMXVVIOVSA-N 0 0 257.330 0.459 10 0 CCAERN C[C@H](NC(=O)N1CCNC(=O)CC1)[C@H]1CCCO1 ZINC000105146411 186043305 /nfs/dbraw/zinc/04/33/05/186043305.db2.gz GURWVLLUMDVODB-VHSXEESVSA-N 0 0 255.318 0.085 10 0 CCAERN Cc1cnn(CCC(=O)NC[C@@H](C)N2CCOCC2)c1 ZINC000129426293 350214018 /nfs/dbraw/zinc/21/40/18/350214018.db2.gz GOGJDDMUPVTJSS-CYBMUJFWSA-N 0 0 280.372 0.419 10 0 CCAERN CN1CCO[C@@H](CNC(=O)c2ccc(C(N)=S)cc2)C1 ZINC000091671256 180224615 /nfs/dbraw/zinc/22/46/15/180224615.db2.gz FZRJVXMKXIFUGE-LBPRGKRZSA-N 0 0 293.392 0.381 10 0 CCAERN Cn1c(Cn2nnn(-c3ccccc3)c2=O)nnc1C1CC1 ZINC000130591030 350241661 /nfs/dbraw/zinc/24/16/61/350241661.db2.gz AKRXEDQWAMGHMC-UHFFFAOYSA-N 0 0 297.322 0.483 10 0 CCAERN CNc1nc(NCC(=O)N(C)C)ncc1Br ZINC000130824283 350251248 /nfs/dbraw/zinc/25/12/48/350251248.db2.gz UQQMPLUSQLFBAB-UHFFFAOYSA-N 0 0 288.149 0.781 10 0 CCAERN Cc1cnn(C[C@@H]2CN(C(=O)c3ccnnc3)CCO2)c1 ZINC000131677942 350283072 /nfs/dbraw/zinc/28/30/72/350283072.db2.gz PCJJWGDBMGIIOM-ZDUSSCGKSA-N 0 0 287.323 0.523 10 0 CCAERN CCc1nc2n(n1)C[C@@H](NC(=O)CCCC(=O)OC)CC2 ZINC000131208856 350266876 /nfs/dbraw/zinc/26/68/76/350266876.db2.gz SFGBDOARPIJDNK-JTQLQIEISA-N 0 0 294.355 0.615 10 0 CCAERN NC(=O)COCCNC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000131341717 350272582 /nfs/dbraw/zinc/27/25/82/350272582.db2.gz QEJRNOUKHWGPIP-VXGBXAGGSA-N 0 0 268.357 0.821 10 0 CCAERN COC(=O)CCCC(=O)N[C@@H]1CCCC[C@H]1CO ZINC000131574089 350279042 /nfs/dbraw/zinc/27/90/42/350279042.db2.gz FAHVRWLLFKSEFZ-WDEREUQCSA-N 0 0 257.330 0.997 10 0 CCAERN C[C@@H](CNC(=O)COc1ccccc1O)N1CCOCC1 ZINC000132151724 350298497 /nfs/dbraw/zinc/29/84/97/350298497.db2.gz VVQYEPBSSYUERL-LBPRGKRZSA-N 0 0 294.351 0.608 10 0 CCAERN CCOC(=O)NCCCC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000132309876 350303572 /nfs/dbraw/zinc/30/35/72/350303572.db2.gz CNRURWGJLZXKAQ-SNVBAGLBSA-N 0 0 295.343 0.235 10 0 CCAERN CNC(=O)CC(=O)NC[C@H]1CCN(C)c2ccccc21 ZINC000132630290 350313116 /nfs/dbraw/zinc/31/31/16/350313116.db2.gz AGBIZCYHOIJVAA-LLVKDONJSA-N 0 0 275.352 0.862 10 0 CCAERN CCC(=O)N1CC[C@H](NC(=O)N[C@H]2CCO[C@@H]2C)C1 ZINC000132719644 350315256 /nfs/dbraw/zinc/31/52/56/350315256.db2.gz ISHSKXHYYPEWBE-VWYCJHECSA-N 0 0 269.345 0.474 10 0 CCAERN 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CCC[C@@H]1C[C@H](C(=O)N2CCOC[C@H]2C(N)=O)CCO1 ZINC000248418046 283661019 /nfs/dbraw/zinc/66/10/19/283661019.db2.gz SBQUHPOKAFJRPC-UTUOFQBUSA-N 0 0 284.356 0.294 10 0 CCAERN COC(=O)N1CC(Nc2nn3c(nccc3=O)s2)C1 ZINC000301753278 201175417 /nfs/dbraw/zinc/17/54/17/201175417.db2.gz JIGRMZLJDYNTMM-UHFFFAOYSA-N 0 0 281.297 0.014 10 0 CCAERN CCOC(=O)c1ccc(N[C@H]2CCOC[C@H]2O)nc1 ZINC000599178316 361601206 /nfs/dbraw/zinc/60/12/06/361601206.db2.gz IHLXWWOQSUODPR-WDEREUQCSA-N 0 0 266.297 0.820 10 0 CCAERN CCc1ncnc(NCCc2ncnn2C)c1F ZINC000301907360 201256546 /nfs/dbraw/zinc/25/65/46/201256546.db2.gz AMZIIGZGMRNSMK-UHFFFAOYSA-N 0 0 250.281 0.961 10 0 CCAERN OC[C@H]1C[C@H](O)CN1Cc1ncn(-c2ccccc2)n1 ZINC000185183622 189406033 /nfs/dbraw/zinc/40/60/33/189406033.db2.gz MGEOOTYNAGKRHF-OLZOCXBDSA-N 0 0 274.324 0.195 10 0 CCAERN Nc1ccc2c(ncnc2NCCn2ccnn2)n1 ZINC000302170885 201378577 /nfs/dbraw/zinc/37/85/77/201378577.db2.gz MBERQKRNCAYXIZ-UHFFFAOYSA-N 0 0 256.273 0.311 10 0 CCAERN 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DNBIOLSPWZDCOF-CABCVRRESA-N 0 0 278.352 0.206 10 0 CCAERN CC(C)Cn1c(N)c(N)c(=O)n(CC(C)C)c1=O ZINC000035963258 388837418 /nfs/dbraw/zinc/83/74/18/388837418.db2.gz UFKPXYGCMXIYMT-UHFFFAOYSA-N 0 0 254.334 0.486 10 0 CCAERN O=C(c1ccncc1)N1CCC[C@H]1C(=O)N1CCOCC1 ZINC000036107493 388838418 /nfs/dbraw/zinc/83/84/18/388838418.db2.gz MHUXSZJNTLOHDM-ZDUSSCGKSA-N 0 0 289.335 0.545 10 0 CCAERN COC(=O)N[C@@H]1Cc2ccccc2N(OC)C1=O ZINC000038999297 388851337 /nfs/dbraw/zinc/85/13/37/388851337.db2.gz OYOBVWWEHGQJHB-SECBINFHSA-N 0 0 250.254 0.862 10 0 CCAERN CC(=O)N1CC[C@H](C(=O)NCC2(CO)CCCC2)C1 ZINC000186988082 388863649 /nfs/dbraw/zinc/86/36/49/388863649.db2.gz BFVWTRSDULTBMK-LBPRGKRZSA-N 0 0 268.357 0.524 10 0 CCAERN C[C@H]1CN(C(=O)c2cc3c(cn2)nc[nH]c3=O)C[C@H](C)O1 ZINC000187238780 388872612 /nfs/dbraw/zinc/87/26/12/388872612.db2.gz CVPWKJXVQLMJNM-IUCAKERBSA-N 0 0 288.307 0.568 10 0 CCAERN O=C(OCc1ccccc1)[C@H]1C(=O)C[C@H]2CC(=O)N21 ZINC000039296963 388851227 /nfs/dbraw/zinc/85/12/27/388851227.db2.gz ROOPIVSLXDNRHJ-GXFFZTMASA-N 0 0 259.261 0.672 10 0 CCAERN COC(=O)[C@@]1(C)CCCN1C(=O)c1ccnc(C)n1 ZINC000187660204 388889341 /nfs/dbraw/zinc/88/93/41/388889341.db2.gz AZHXJGHMABXEEO-CYBMUJFWSA-N 0 0 263.297 0.953 10 0 CCAERN CN(C)C(=O)[C@H]1CCCN1C(=O)c1c[nH]nc1C1CC1 ZINC000187351684 388878787 /nfs/dbraw/zinc/87/87/87/388878787.db2.gz URFOFYFCQDTKAN-LLVKDONJSA-N 0 0 276.340 0.980 10 0 CCAERN CO[C@@H](C)[C@H](C)NC(=O)N[C@@H]1CCCn2ncnc21 ZINC000188253172 388920772 /nfs/dbraw/zinc/92/07/72/388920772.db2.gz DLMRFLBEGATWRH-LPEHRKFASA-N 0 0 267.333 0.836 10 0 CCAERN C[C@H](CNC(=O)[C@H]1CCCO[C@H]1C)N1CCOCC1 ZINC000188465429 388929898 /nfs/dbraw/zinc/92/98/98/388929898.db2.gz ZMVVRQAGIGOAQH-AGIUHOORSA-N 0 0 270.373 0.638 10 0 CCAERN COc1ccc(-c2cc(=O)[nH]c(NN)n2)cc1OC ZINC000072417254 388962685 /nfs/dbraw/zinc/96/26/85/388962685.db2.gz YLOZPZHRLNJTMN-UHFFFAOYSA-N 0 0 262.269 0.740 10 0 CCAERN COCCO[C@@H]1CCN(Cc2nnnn2C(C)C)C1 ZINC000189680855 388967729 /nfs/dbraw/zinc/96/77/29/388967729.db2.gz NAMKAEPQDJIKCV-LLVKDONJSA-N 0 0 269.349 0.491 10 0 CCAERN C[C@@H]1OCCC[C@H]1C(=O)NCC1(CO)CCOCC1 ZINC000189683029 388968114 /nfs/dbraw/zinc/96/81/14/388968114.db2.gz WGLLGJUEMLSAOH-NWDGAFQWSA-N 0 0 271.357 0.707 10 0 CCAERN COc1ncccc1NC(=O)N1CC(NC(C)=O)C1 ZINC000189248304 388952472 /nfs/dbraw/zinc/95/24/72/388952472.db2.gz UYHJGRZEZJDCJR-UHFFFAOYSA-N 0 0 264.285 0.442 10 0 CCAERN CO[C@H]1C[C@H](c2nc(C)no2)N(CCOCCO)C1 ZINC000189313312 388955039 /nfs/dbraw/zinc/95/50/39/388955039.db2.gz MWAGKMIAJUVJHT-WDEREUQCSA-N 0 0 271.317 0.149 10 0 CCAERN CCN(CC)S(=O)(=O)CC(=O)N1CCS[C@@H](C)C1 ZINC000073385724 388977094 /nfs/dbraw/zinc/97/70/94/388977094.db2.gz OQBUUKVRISPVBB-JTQLQIEISA-N 0 0 294.442 0.622 10 0 CCAERN CNC(=O)[C@@H]1CCCN1C(=O)N[C@@H]1CC[C@H](OC)C1 ZINC000190342537 388989428 /nfs/dbraw/zinc/98/94/28/388989428.db2.gz BLQMXJNBZVWLPF-VWYCJHECSA-N 0 0 269.345 0.474 10 0 CCAERN CC(=O)NC1CN(C(=O)c2cc(F)cc3nccnc32)C1 ZINC000190519410 388993114 /nfs/dbraw/zinc/99/31/14/388993114.db2.gz MWJOKJSFOOPCLY-UHFFFAOYSA-N 0 0 288.282 0.729 10 0 CCAERN C[C@@H](O)CCNc1cc(NCC[C@H](C)O)n2ncnc2n1 ZINC000191064447 389004827 /nfs/dbraw/zinc/00/48/27/389004827.db2.gz HFLASXZKYUWXCV-ZJUUUORDSA-N 0 0 294.359 0.490 10 0 CCAERN CC[C@@H](NC(=O)N[C@H](C)C(C)C)C(=O)N1CCOCC1 ZINC000084412247 389005235 /nfs/dbraw/zinc/00/52/35/389005235.db2.gz SLGBRBJEKYIVQY-VXGBXAGGSA-N 0 0 285.388 0.968 10 0 CCAERN O=S(=O)(NC[C@@H]1CCC[C@@H]1O)N1CCCCC1 ZINC000089166361 389016420 /nfs/dbraw/zinc/01/64/20/389016420.db2.gz FOGSCYWEMGPFRJ-QWRGUYRKSA-N 0 0 262.375 0.468 10 0 CCAERN COC(=O)[C@H]1CCN(CCCS(C)(=O)=O)C[C@H]1C ZINC000191799854 389017918 /nfs/dbraw/zinc/01/79/18/389017918.db2.gz DGEZYWKPJKSLOA-MNOVXSKESA-N 0 0 277.386 0.552 10 0 CCAERN CN(CC1CC(O)C1)S(=O)(=O)C[C@H]1CCCO1 ZINC000091490432 389022854 /nfs/dbraw/zinc/02/28/54/389022854.db2.gz QHSPZWLZFOGZBV-VQXHTEKXSA-N 0 0 263.359 0.198 10 0 CCAERN COCc1cc(N2CC[C@H](C)[C@H](O)C2)n2ncnc2n1 ZINC000301948682 389061298 /nfs/dbraw/zinc/06/12/98/389061298.db2.gz BZCXOLNCEWXXEY-GXSJLCMTSA-N 0 0 277.328 0.478 10 0 CCAERN C[C@@H]1CCN(c2nnc(Cl)cc2C(N)=O)C[C@H]1O ZINC000301950996 389061396 /nfs/dbraw/zinc/06/13/96/389061396.db2.gz FLEDXVJDFGHDDZ-HTRCEHHLSA-N 0 0 270.720 0.436 10 0 CCAERN CCS(=O)(=O)N1CC(CNc2cncc(C)n2)C1 ZINC000302543348 389073788 /nfs/dbraw/zinc/07/37/88/389073788.db2.gz IFVRDRKEKQKUBZ-UHFFFAOYSA-N 0 0 270.358 0.478 10 0 CCAERN C[C@@H](O)CN1CCN(c2nccnc2N(C)C)CC1 ZINC000302568138 389074375 /nfs/dbraw/zinc/07/43/75/389074375.db2.gz XOUILXYOZMQUMX-LLVKDONJSA-N 0 0 265.361 0.045 10 0 CCAERN CC(=O)N[C@@H]1CCCN(c2nc3c(cnn3C)c(N)n2)C1 ZINC000302575997 389074633 /nfs/dbraw/zinc/07/46/33/389074633.db2.gz RTCWFTLPNARDLP-SECBINFHSA-N 0 0 289.343 0.050 10 0 CCAERN COCCN1CCN(CC(=O)Nc2nncs2)C[C@H]1C ZINC000105833781 389087408 /nfs/dbraw/zinc/08/74/08/389087408.db2.gz BUFJYACGHBFCDI-SNVBAGLBSA-N 0 0 299.400 0.129 10 0 CCAERN O=C1CN[C@@H](c2ncc(I)s2)N1 ZINC000307652307 389091682 /nfs/dbraw/zinc/09/16/82/389091682.db2.gz SJXYRJMCBHAFSU-RXMQYKEDSA-N 0 0 295.105 0.466 10 0 CCAERN Cc1cc([C@@H]2NC(=O)[C@@H]3COCCN23)cc(C)c1O ZINC000093883372 389038192 /nfs/dbraw/zinc/03/81/92/389038192.db2.gz URCKKINAQLPKMX-WCQYABFASA-N 0 0 262.309 0.838 10 0 CCAERN CCOC(=O)[C@]12C=CC(=O)N[C@]1(O)CCCCC2 ZINC000095883957 389042361 /nfs/dbraw/zinc/04/23/61/389042361.db2.gz RAWDHZQWPHODNH-STQMWFEESA-N 0 0 253.298 0.875 10 0 CCAERN C[C@]1(O)CCCN(C(=O)[C@@H]2CCCCC(=O)N2)C1 ZINC000194436795 389095960 /nfs/dbraw/zinc/09/59/60/389095960.db2.gz DJEZQUMBSAWPNO-GWCFXTLKSA-N 0 0 254.330 0.419 10 0 CCAERN C[C@H](C[S@](C)=O)N(C)C(=O)[C@@H]1CCCCC(=O)N1 ZINC000194479602 389096611 /nfs/dbraw/zinc/09/66/11/389096611.db2.gz HVLJENUNVVHLPD-JJQCHNSYSA-N 0 0 274.386 0.271 10 0 CCAERN COC(=O)Nc1cccc(NC(=O)[C@H]2CNC(=O)C2)c1 ZINC000110355115 389100975 /nfs/dbraw/zinc/10/09/75/389100975.db2.gz VWYPYPYNDQGREJ-MRVPVSSYSA-N 0 0 277.280 0.940 10 0 CCAERN O=C(NCCOc1cccc(F)c1)[C@@H]1CNC(=O)C1 ZINC000194828220 389105526 /nfs/dbraw/zinc/10/55/26/389105526.db2.gz KGVQKUZYKNJRSK-VIFPVBQESA-N 0 0 266.272 0.457 10 0 CCAERN CCOC(=O)c1ccc(CNC(=O)[C@H]2CNC(=O)C2)cc1 ZINC000194823841 389105568 /nfs/dbraw/zinc/10/55/68/389105568.db2.gz SMPUKIXXNCQBNV-GFCCVEGCSA-N 0 0 290.319 0.616 10 0 CCAERN CC[C@@H]1CN(C(=O)NC[C@@H](C)N2CCOCC2)C[C@@H](C)O1 ZINC000111452879 389108465 /nfs/dbraw/zinc/10/84/65/389108465.db2.gz ADTPVQGFSILJOM-MGPQQGTHSA-N 0 0 299.415 0.916 10 0 CCAERN CCn1cc(NC(=O)N2CCC[C@@H]2C(=O)NC)cn1 ZINC000195099227 389115434 /nfs/dbraw/zinc/11/54/34/389115434.db2.gz GLZIINRUGFTJEL-SNVBAGLBSA-N 0 0 265.317 0.645 10 0 CCAERN Cc1cnn(C[C@@H]2CN(C(=O)[C@H]3CCCO3)CCO2)c1 ZINC000112060394 389118533 /nfs/dbraw/zinc/11/85/33/389118533.db2.gz RSIWHLQWKNXUCM-QWHCGFSZSA-N 0 0 279.340 0.598 10 0 CCAERN CC(C)n1nnnc1COc1ccc(-n2cnnn2)cc1 ZINC000195517009 389128341 /nfs/dbraw/zinc/12/83/41/389128341.db2.gz LSMXJSXXNLNKCR-UHFFFAOYSA-N 0 0 286.299 0.809 10 0 CCAERN Cc1cnn(C[C@@H]2CN([C@@H]3CCN(C)C3=O)CCO2)c1 ZINC000116278584 389133047 /nfs/dbraw/zinc/13/30/47/389133047.db2.gz OVCNKPIKWLDLGY-QWHCGFSZSA-N 0 0 278.356 0.123 10 0 CCAERN CCOCCCNC(=O)N1CCN(CCOC)[C@H](C)C1 ZINC000117469158 389135978 /nfs/dbraw/zinc/13/59/78/389135978.db2.gz USXWKIZYBKXLFG-CYBMUJFWSA-N 0 0 287.404 0.775 10 0 CCAERN Cc1cc2c(N[C@@H]3CCS(=O)(=O)C3)nccn2n1 ZINC000129100901 389182866 /nfs/dbraw/zinc/18/28/66/389182866.db2.gz MJVHFVKMOXYQDR-SECBINFHSA-N 0 0 266.326 0.637 10 0 CCAERN CCc1ncc(NC(=O)C(=O)N(CC)CC)cn1 ZINC000129323998 389186511 /nfs/dbraw/zinc/18/65/11/389186511.db2.gz BXLBHMHQBGMIIX-UHFFFAOYSA-N 0 0 250.302 0.846 10 0 CCAERN COc1ccc(C(=O)N2C[C@@H]3CC[C@@H](O)[C@@H]3C2)cn1 ZINC000124421972 389161463 /nfs/dbraw/zinc/16/14/63/389161463.db2.gz FFXNUCURFARMRC-QJPTWQEYSA-N 0 0 262.309 0.933 10 0 CCAERN O=C1NC[C@@H]2[C@H]1CCCN2c1ncc(Br)cn1 ZINC000232298072 389161683 /nfs/dbraw/zinc/16/16/83/389161683.db2.gz BVMQVNWTQKQHCR-RKDXNWHRSA-N 0 0 297.156 0.954 10 0 CCAERN COC(=O)[C@H]1CCC[C@@H]1S(=O)(=O)NC1CCOCC1 ZINC000234574788 389163345 /nfs/dbraw/zinc/16/33/45/389163345.db2.gz XQVRITGWZCIVCH-QWRGUYRKSA-N 0 0 291.369 0.427 10 0 CCAERN C[C@@]1(O)CCN(C(=O)[C@H]2COCCN2CC2CCC2)C1 ZINC000329590458 389172839 /nfs/dbraw/zinc/17/28/39/389172839.db2.gz ZRFSVFXGRACKRV-UKRRQHHQSA-N 0 0 282.384 0.471 10 0 CCAERN Cc1cnn([C@H]2CCCN(S(=O)(=O)[C@@H]3CCOC3)C2)c1 ZINC000329592254 389173664 /nfs/dbraw/zinc/17/36/64/389173664.db2.gz ZEARAKYIFJTJDM-QWHCGFSZSA-N 0 0 299.396 0.947 10 0 CCAERN Cc1nnc(N2CCNC(=O)[C@H]2C)n1C[C@H]1CCCO1 ZINC000329605358 389175917 /nfs/dbraw/zinc/17/59/17/389175917.db2.gz MAYYGPBGOQADRQ-MWLCHTKSSA-N 0 0 279.344 0.931 10 0 CCAERN COCCN1CCN(C(=O)N[C@@H]2CCO[C@H]2C)CC1 ZINC000128574227 389176969 /nfs/dbraw/zinc/17/69/69/389176969.db2.gz FQUQATRFIRNEBP-NWDGAFQWSA-N 0 0 271.361 0.137 10 0 CCAERN Cn1cc([C@@H]2CCN(S(=O)(=O)C[C@@H]3CCOC3)C2)cn1 ZINC000329628373 389178853 /nfs/dbraw/zinc/17/88/53/389178853.db2.gz HGGHIEBSNQNIPX-VXGBXAGGSA-N 0 0 299.396 0.576 10 0 CCAERN CC(C)[C@H](NC(=O)NCc1cccnc1N(C)C)C(N)=O ZINC000134703676 389248140 /nfs/dbraw/zinc/24/81/40/389248140.db2.gz PNGIGYMNMHDKFD-NSHDSACASA-N 0 0 293.371 0.457 10 0 CCAERN CCCC(=O)N[C@H]1CCCN(C(=O)C2CC(=O)C2)C1 ZINC000136809019 389267869 /nfs/dbraw/zinc/26/78/69/389267869.db2.gz UZKOQYQVRYQXOQ-NSHDSACASA-N 0 0 266.341 0.873 10 0 CCAERN COc1c(CN2CC[C@H](C)C[C@H]2C(N)=O)c(C)nn1C ZINC000250067305 389259951 /nfs/dbraw/zinc/25/99/51/389259951.db2.gz NPTQVAGHEQKSGW-CABZTGNLSA-N 0 0 280.372 0.823 10 0 CCAERN CC(C)CCO[C@@H]1CCN(C(=O)C2=NNC(=O)CC2)C1 ZINC000364382782 389260596 /nfs/dbraw/zinc/26/05/96/389260596.db2.gz PCABREIZDUMJCS-LLVKDONJSA-N 0 0 281.356 0.916 10 0 CCAERN C[C@@H]1COC[C@@H](C)N1C(=O)CCCS(C)(=O)=O ZINC000130648354 389208378 /nfs/dbraw/zinc/20/83/78/389208378.db2.gz IUCSGBKIVLKSCW-NXEZZACHSA-N 0 0 263.359 0.447 10 0 CCAERN COCCCCS(=O)(=O)N1CCOC[C@@H]1C ZINC000136111354 389265079 /nfs/dbraw/zinc/26/50/79/389265079.db2.gz OQAJYWLGIBZHII-JTQLQIEISA-N 0 0 251.348 0.464 10 0 CCAERN C[C@@H]1CN(CC(=O)N[C@H]2CCCC[C@H]2C)C[C@H](C(N)=O)O1 ZINC000246402086 389228105 /nfs/dbraw/zinc/22/81/05/389228105.db2.gz ISCJKCXJKFDGPX-FVCCEPFGSA-N 0 0 297.399 0.256 10 0 CCAERN Cc1ncc(CN2CCN(CCOCCO)CC2)s1 ZINC000132950837 389228748 /nfs/dbraw/zinc/22/87/48/389228748.db2.gz ZWGMRGCCCVBPLJ-UHFFFAOYSA-N 0 0 285.413 0.578 10 0 CCAERN CCCNC(=O)NC(=O)C[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000246690823 389231212 /nfs/dbraw/zinc/23/12/12/389231212.db2.gz MVVQKFVOSULAIG-NWDGAFQWSA-N 0 0 283.372 0.723 10 0 CCAERN COC(=O)C1(NC[C@@H](O)CN2CCCC2=O)CCCC1 ZINC000133848161 389240018 /nfs/dbraw/zinc/24/00/18/389240018.db2.gz LRVXHTOUKZVCGU-LLVKDONJSA-N 0 0 284.356 0.045 10 0 CCAERN Cc1nnc([C@@H]2CN(C(=O)[C@@H]3O[C@@H](C)C[C@H]3C)CCO2)[nH]1 ZINC000367072201 389318396 /nfs/dbraw/zinc/31/83/96/389318396.db2.gz MQSWCFWOAZMQOY-LLHIFLOGSA-N 0 0 294.355 0.827 10 0 CCAERN CC(C)n1nnnc1CN1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000152315316 389287970 /nfs/dbraw/zinc/28/79/70/389287970.db2.gz AIAOCKDDKGGTIB-RYUDHWBXSA-N 0 0 281.360 0.634 10 0 CCAERN O=C(CCn1cncn1)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000331035572 389291066 /nfs/dbraw/zinc/29/10/66/389291066.db2.gz MFCBEWRMQQXLQV-SNVBAGLBSA-N 0 0 292.261 0.584 10 0 CCAERN CC[C@H](CCO)NC(=O)NC[C@H](C)N1CCOCC1 ZINC000153464972 389300622 /nfs/dbraw/zinc/30/06/22/389300622.db2.gz OEAWVLXRXHFSPI-NWDGAFQWSA-N 0 0 273.377 0.167 10 0 CCAERN C[S@](=O)CCC(=O)N[C@H]1CCN(c2ncccc2F)C1 ZINC000153625961 389303809 /nfs/dbraw/zinc/30/38/09/389303809.db2.gz QLMKONUBWSIBCI-WVDJIFEKSA-N 0 0 299.371 0.684 10 0 CCAERN CO[C@@H]1C[C@H](CO)N(C(=O)[C@H]2CCOC[C@H]2C)C1 ZINC000345328897 389304335 /nfs/dbraw/zinc/30/43/35/389304335.db2.gz UBXCZIYTGVYGMC-KKOKHZNYSA-N 0 0 257.330 0.267 10 0 CCAERN CC(C)n1nnnc1CN1CC[C@]2(CCOC2)C1 ZINC000153719126 389307359 /nfs/dbraw/zinc/30/73/59/389307359.db2.gz FBNSUPGMTOVYJY-LBPRGKRZSA-N 0 0 251.334 0.866 10 0 CCAERN Cc1oc2nc(CN3CCC[C@@H]3C(N)=O)nc(N)c2c1C ZINC000153782186 389307674 /nfs/dbraw/zinc/30/76/74/389307674.db2.gz ZXHHWPVAQCRSIU-SECBINFHSA-N 0 0 289.339 0.872 10 0 CCAERN CN1CCO[C@@H]2CCN(C(=O)NCC[C@H]3CCOC3)C[C@@H]21 ZINC000332761872 389367162 /nfs/dbraw/zinc/36/71/62/389367162.db2.gz UQHZIFJDQPCJNA-MELADBBJSA-N 0 0 297.399 0.528 10 0 CCAERN C[C@@H]1C[C@@H](C)[C@@H](C(=O)N[C@H]2COC[C@H]2n2ccnn2)O1 ZINC000332770715 389368810 /nfs/dbraw/zinc/36/88/10/389368810.db2.gz JGYKBSNJKWECJG-ZIQFBCGOSA-N 0 0 280.328 0.148 10 0 CCAERN COC(=O)C[C@@H]1CCCN1C(=O)[C@@H]1OC[C@H]2COCC[C@H]21 ZINC000368149684 389371540 /nfs/dbraw/zinc/37/15/40/389371540.db2.gz BSLBAABERTVGRV-GFQSEFKGSA-N 0 0 297.351 0.592 10 0 CCAERN C[C@H]1CCN(C(=O)N[C@H]2COC[C@H]2n2ccnn2)C[C@H]1C ZINC000332835178 389378275 /nfs/dbraw/zinc/37/82/75/389378275.db2.gz WGBMSAIYEDKZJI-QNWHQSFQSA-N 0 0 293.371 0.906 10 0 CCAERN CO[C@@H]1C[C@H](NC(=O)CC[C@@H]2CCC(=O)N2)C1(C)C ZINC000333523666 389417165 /nfs/dbraw/zinc/41/71/65/389417165.db2.gz HMXHFXHTEQTMBC-GARJFASQSA-N 0 0 268.357 0.975 10 0 CCAERN C[C@H]1OCC[C@H]1NC(=O)NC[C@@H](CO)[C@H]1CCOC1 ZINC000332988235 389399807 /nfs/dbraw/zinc/39/98/07/389399807.db2.gz GPFXKQQYFSMAKG-NOOOWODRSA-N 0 0 272.345 0.108 10 0 CCAERN CC(C)O[C@@]1(C(=O)N[C@@H]2CCO[C@@H]2C)CCOC1 ZINC000333121438 389405209 /nfs/dbraw/zinc/40/52/09/389405209.db2.gz VCOGHQGTJMSQLJ-WZRBSPASSA-N 0 0 257.330 0.864 10 0 CCAERN CC(=O)C[C@@H]1COCCN1C(=O)[C@@H]1CCCCC(=O)N1 ZINC000370508180 389407835 /nfs/dbraw/zinc/40/78/35/389407835.db2.gz NPONXAAJPSCGCC-NEPJUHHUSA-N 0 0 282.340 0.252 10 0 CCAERN CC1(C)C[C@H](NC(=O)N2CCO[C@H](CO)C2)CCO1 ZINC000161726358 389409297 /nfs/dbraw/zinc/40/92/97/389409297.db2.gz SQZXPKYTDGMCFZ-MNOVXSKESA-N 0 0 272.345 0.347 10 0 CCAERN Cc1ccc([C@@H]2CN(CCOCCO)CCO2)o1 ZINC000158625929 389347341 /nfs/dbraw/zinc/34/73/41/389347341.db2.gz IMXWUEFUZHDSGY-ZDUSSCGKSA-N 0 0 255.314 0.970 10 0 CCAERN C[C@H]1COCCN1C(=O)N[C@@H]1CCC(=O)N[C@H]1C ZINC000408427257 389348965 /nfs/dbraw/zinc/34/89/65/389348965.db2.gz NKCJJSRELVYRDP-LPEHRKFASA-N 0 0 255.318 0.084 10 0 CCAERN C[C@@H]1OCC[C@H]1NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000158769754 389351106 /nfs/dbraw/zinc/35/11/06/389351106.db2.gz FGWDDTVHCUQYLY-DJLDLDEBSA-N 0 0 294.273 0.691 10 0 CCAERN CO[C@@H]1CN(S(=O)(=O)[C@@H]2CCO[C@@H](C)C2)C[C@H]1OC ZINC000408460039 389353277 /nfs/dbraw/zinc/35/32/77/389353277.db2.gz LBHKYYJIJUVBOR-IRCOFANPSA-N 0 0 293.385 0.229 10 0 CCAERN C[C@H]1NC(=O)CC[C@H]1NC(=O)c1cc(F)cc2n[nH]nc21 ZINC000332691814 389357397 /nfs/dbraw/zinc/35/73/97/389357397.db2.gz UECRXZYRDHDGHH-HZGVNTEJSA-N 0 0 291.286 0.494 10 0 CCAERN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)N[C@H]2C[C@H]2C)C1 ZINC000370805515 389416012 /nfs/dbraw/zinc/41/60/12/389416012.db2.gz FAMXUXLWPYKJFO-MXWKQRLJSA-N 0 0 289.401 0.507 10 0 CCAERN COC(=O)[C@H]1C[C@@H]1C(=O)Nc1nc2c(s1)COCC2 ZINC000171017549 389470123 /nfs/dbraw/zinc/47/01/23/389470123.db2.gz UEDXMDUZNCNISZ-BQBZGAKWSA-N 0 0 282.321 0.963 10 0 CCAERN O=C([C@H]1COc2ccccc2C1)N1CCO[C@@H](CO)C1 ZINC000167503924 389447141 /nfs/dbraw/zinc/44/71/41/389447141.db2.gz LXFORIXGBRUTAZ-CHWSQXEVSA-N 0 0 277.320 0.457 10 0 CCAERN COc1ccc([C@H](C)NC(=O)C(N)=O)cc1OC ZINC000170314495 389456768 /nfs/dbraw/zinc/45/67/68/389456768.db2.gz MDXBZMZGNNUEGO-ZETCQYMHSA-N 0 0 252.270 0.366 10 0 CCAERN CC(C)n1nnnc1CN1CCN(c2cccnn2)CC1 ZINC000170648702 389457707 /nfs/dbraw/zinc/45/77/07/389457707.db2.gz WBINDOVNTBWTMC-UHFFFAOYSA-N 0 0 288.359 0.366 10 0 CCAERN CC(C)CNC(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1 ZINC000334173571 389459179 /nfs/dbraw/zinc/45/91/79/389459179.db2.gz AGEVTGDNWMOUMM-NEPJUHHUSA-N 0 0 255.362 0.757 10 0 CCAERN CNc1cc(N2CCC[C@@H]2CNS(C)(=O)=O)ncn1 ZINC000173900232 389510628 /nfs/dbraw/zinc/51/06/28/389510628.db2.gz MUUJPHYROBJUHE-SECBINFHSA-N 0 0 285.373 0.036 10 0 CCAERN O=C1N[C@]2(CCSC2)C(=O)N1C[C@H](O)CC(F)(F)F ZINC000373738302 389510819 /nfs/dbraw/zinc/51/08/19/389510819.db2.gz OJIAWUPLCZWFAS-MUWHJKNJSA-N 0 0 298.286 0.727 10 0 CCAERN CO[C@@]1(C(=O)N[C@H](CO)c2ccccc2)CCOC1 ZINC000276639476 389521505 /nfs/dbraw/zinc/52/15/05/389521505.db2.gz HDOSWJRFBQKERI-OCCSQVGLSA-N 0 0 265.309 0.642 10 0 CCAERN C[C@@H]1OCCC[C@H]1C(=O)N1CCN(c2nccn2C)CC1 ZINC000276663809 389525764 /nfs/dbraw/zinc/52/57/64/389525764.db2.gz CZGHQPJFKMWIFK-QWHCGFSZSA-N 0 0 292.383 0.884 10 0 CCAERN CC[C@@H](C)OCC(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000374063307 389541463 /nfs/dbraw/zinc/54/14/63/389541463.db2.gz VBMXDNBVSXMQQB-GMTAPVOTSA-N 0 0 254.330 0.539 10 0 CCAERN Cn1ccnc1[C@@H]1CN(C(=O)C[C@H]2CCCO2)CCN1C ZINC000276830924 389543287 /nfs/dbraw/zinc/54/32/87/389543287.db2.gz YCJRNBQZXMQEQK-OLZOCXBDSA-N 0 0 292.383 0.804 10 0 CCAERN CC[C@@H]1CN(C(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC2)CCO1 ZINC000375195141 389647283 /nfs/dbraw/zinc/64/72/83/389647283.db2.gz OIJPRRYXIULPIZ-MBNYWOFBSA-N 0 0 295.383 0.864 10 0 CCAERN C[C@H]1COC[C@H](C)N1C(=O)CN1CCCNC1=O ZINC000336396629 389635135 /nfs/dbraw/zinc/63/51/35/389635135.db2.gz XUBIUPINYMYKFA-UWVGGRQHSA-N 0 0 255.318 0.038 10 0 CCAERN COC(=O)CCCNC(=O)N[C@@H]1CCCn2ncnc21 ZINC000177325902 389579112 /nfs/dbraw/zinc/57/91/12/389579112.db2.gz RYSXKRSEWVOIOY-SECBINFHSA-N 0 0 281.316 0.365 10 0 CCAERN O=C(NCCn1cccn1)N1CCC[C@@H]1Cn1ccnc1 ZINC000177523068 389585764 /nfs/dbraw/zinc/58/57/64/389585764.db2.gz HNJRGKUCQCRZMD-CYBMUJFWSA-N 0 0 288.355 0.954 10 0 CCAERN COc1ccccc1[C@@H]1CN(CCO)CCN1CCO ZINC000374533506 389587069 /nfs/dbraw/zinc/58/70/69/389587069.db2.gz AJLRNDGFQCTRLX-AWEZNQCLSA-N 0 0 280.368 0.339 10 0 CCAERN CC[C@H](O)CN1CCN(S(=O)(=O)CCC(C)C)CC1 ZINC000182406609 389707905 /nfs/dbraw/zinc/70/79/05/389707905.db2.gz FEGVUNRVDJHAKX-ZDUSSCGKSA-N 0 0 292.445 0.751 10 0 CCAERN CC[C@H](C)[C@H](NC(C)=O)C(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000375804824 389715326 /nfs/dbraw/zinc/71/53/26/389715326.db2.gz FQZPLDDDYIBCPW-SQNXGDPESA-N 0 0 295.383 0.274 10 0 CCAERN C[C@@H]1NC(=O)CC[C@@H]1NC(=O)c1cc(F)ccc1O ZINC000282065678 389652983 /nfs/dbraw/zinc/65/29/83/389652983.db2.gz DCBVJFUBYJCVTJ-XVKPBYJWSA-N 0 0 266.272 0.928 10 0 CCAERN Cc1[nH]nc(C(=O)N[C@H]2CCC(=O)N[C@@H]2C)c1C ZINC000282073187 389653610 /nfs/dbraw/zinc/65/36/10/389653610.db2.gz DTORZUXKBVGKSD-BDAKNGLRSA-N 0 0 250.302 0.423 10 0 CCAERN CC(C)Cc1nc(C(=O)N2CCOC[C@H]2C(N)=O)cs1 ZINC000180272569 389668406 /nfs/dbraw/zinc/66/84/06/389668406.db2.gz POCOYEGPXYNIKW-JTQLQIEISA-N 0 0 297.380 0.668 10 0 CCAERN O=C(NCCCCCCO)[C@@H]1CC(F)(F)CN1 ZINC000375410501 389674539 /nfs/dbraw/zinc/67/45/39/389674539.db2.gz JLVDFXVPAVEOMU-VIFPVBQESA-N 0 0 250.289 0.653 10 0 CCAERN C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)N2C[C@@H](C)[C@H](CO)C2)CC1=O ZINC000375475445 389680064 /nfs/dbraw/zinc/68/00/64/389680064.db2.gz WIYJTSASWGLZKT-BNDIWNMDSA-N 0 0 295.383 0.266 10 0 CCAERN CC[C@H](O)CN1CCN(C(=O)NCC(C)C)CC1 ZINC000181527926 389688420 /nfs/dbraw/zinc/68/84/20/389688420.db2.gz XRWBGTPZNGSSNG-LBPRGKRZSA-N 0 0 257.378 0.741 10 0 CCAERN C[C@H](CC(=O)N1CCC[C@](O)(C(N)=O)C1)C(C)(C)C ZINC000388966047 389770790 /nfs/dbraw/zinc/77/07/90/389770790.db2.gz ULHAMOZKBQPKBN-QMTHXVAHSA-N 0 0 270.373 0.898 10 0 CCAERN CC[C@@H]1CN(C(=O)[C@H]2CNC(=O)C2)C[C@H](CC)O1 ZINC000398640632 389783691 /nfs/dbraw/zinc/78/36/91/389783691.db2.gz XQBFLRNOXOENJS-MXWKQRLJSA-N 0 0 254.330 0.539 10 0 CCAERN C[C@H]1CC[C@H](O)CN1S(=O)(=O)N1CCCCC1 ZINC000399335858 389790499 /nfs/dbraw/zinc/79/04/99/389790499.db2.gz PWXPECYCEWHLMI-QWRGUYRKSA-N 0 0 262.375 0.562 10 0 CCAERN CC(C)[C@@H]1OCC[C@H]1CNS(=O)(=O)N(C)C ZINC000399745847 389794441 /nfs/dbraw/zinc/79/44/41/389794441.db2.gz KOSFIEGZCJGGNY-UWVGGRQHSA-N 0 0 250.364 0.444 10 0 CCAERN CCO[C@@]1(C(=O)N2C[C@H](O)C[C@H](C)C2)CCOC1 ZINC000401900762 389804919 /nfs/dbraw/zinc/80/49/19/389804919.db2.gz MJFVWERARKRXLL-LOWVWBTDSA-N 0 0 257.330 0.411 10 0 CCAERN CCO[C@]1(C(=O)NC[C@@H]2CCC[C@@H]2O)CCOC1 ZINC000401978493 389806552 /nfs/dbraw/zinc/80/65/52/389806552.db2.gz KGLPUJWFCAVNFE-GMXVVIOVSA-N 0 0 257.330 0.459 10 0 CCAERN CCO[C@]1(C(=O)N2CC[C@@H](O)[C@@H](C)C2)CCOC1 ZINC000401972539 389806637 /nfs/dbraw/zinc/80/66/37/389806637.db2.gz BYKYZLPIAKMAME-DMDPSCGWSA-N 0 0 257.330 0.411 10 0 CCAERN CCC[C@@H](C)CS(=O)(=O)N1CC(=O)NCC1(C)C ZINC000407957742 389816112 /nfs/dbraw/zinc/81/61/12/389816112.db2.gz PITQMILDQNQXBI-SNVBAGLBSA-N 0 0 276.402 0.963 10 0 CCAERN CC(C)n1nnnc1CN1CCOC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000408044304 389821465 /nfs/dbraw/zinc/82/14/65/389821465.db2.gz UHYZJICDJBFBBV-YNEHKIRRSA-N 0 0 295.387 0.616 10 0 CCAERN CC(C)CS(=O)(=O)CC(=O)N1CCN(C)C[C@@H]1C ZINC000408113339 389827435 /nfs/dbraw/zinc/82/74/35/389827435.db2.gz RKHJJNQZQXUWHD-NSHDSACASA-N 0 0 276.402 0.220 10 0 CCAERN COC(=O)[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2C)C[C@H]1C ZINC000408159283 389830332 /nfs/dbraw/zinc/83/03/32/389830332.db2.gz FOOIALKMJFJXGP-MXWKQRLJSA-N 0 0 282.340 0.265 10 0 CCAERN Cc1nnc(NC(=O)[C@@H]2CC(=O)N[C@@H](C)C2)s1 ZINC000408158369 389830476 /nfs/dbraw/zinc/83/04/76/389830476.db2.gz BOFQMCQEDWUNRU-FSPLSTOPSA-N 0 0 254.315 0.700 10 0 CCAERN CCCCOC[C@H](O)CN1C[C@@H](C)S(=O)(=O)[C@@H](C)C1 ZINC000352674379 389834801 /nfs/dbraw/zinc/83/48/01/389834801.db2.gz CTJLOEZNQSNKBQ-FRRDWIJNSA-N 0 0 293.429 0.671 10 0 CCAERN CO[C@@H]1CN(C(=O)N[C@@H]2CC[S@@](=O)C2)CC[C@@H]1C ZINC000408255469 389838223 /nfs/dbraw/zinc/83/82/23/389838223.db2.gz HXHYJRVBHFWJBY-AEYLBHKESA-N 0 0 274.386 0.574 10 0 CCAERN CCN1CCOC[C@H]1C(=O)NC1CCC(O)CC1 ZINC000372458366 285352487 /nfs/dbraw/zinc/35/24/87/285352487.db2.gz PKRMXXIAILAQLC-MCIGGMRASA-N 0 0 256.346 0.127 10 0 CCAERN CC(=O)N1CCC[C@H](C(=O)N2C[C@H](F)C[C@@H]2CO)C1 ZINC000444550815 389908424 /nfs/dbraw/zinc/90/84/24/389908424.db2.gz OIOXJCSTTCAEFV-QJPTWQEYSA-N 0 0 272.320 0.176 10 0 CCAERN C[C@H](NC(=O)C1CCCC1)C(=O)N1C[C@H](F)C[C@H]1CO ZINC000444557646 389909037 /nfs/dbraw/zinc/90/90/37/389909037.db2.gz ZMEIIJOLPKANDW-WCQGTBRESA-N 0 0 286.347 0.613 10 0 CCAERN OC[C@@H]1CN(Cc2nc(Cc3ccccc3)no2)CCO1 ZINC000094267796 184772580 /nfs/dbraw/zinc/77/25/80/184772580.db2.gz SODYNJAHKSQQOX-ZDUSSCGKSA-N 0 0 289.335 0.854 10 0 CCAERN O=C([O-])[C@H]1C[NH2+]CCN1CC(=O)c1cccs1 ZINC000095073774 184934580 /nfs/dbraw/zinc/93/45/80/184934580.db2.gz RXMPGGVRWGZIOB-MRVPVSSYSA-N 0 0 254.311 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CC(=O)O[C@@H]1CO[C@@H](OC(C)=O)C[C@@H]1OC(C)=O ZINC000038222582 278220795 /nfs/dbraw/zinc/22/07/95/278220795.db2.gz DJXJTSGHFMVUCG-AXFHLTTASA-N 0 0 260.242 0.159 10 0 in-vitro CCAERN CC1(C)CN(C(=O)C(=O)N2C[C@H]3CCC[C@H]32)CCO1 ZINC000335402351 278293454 /nfs/dbraw/zinc/29/34/54/278293454.db2.gz BECVLKHJNFQVAE-GHMZBOCLSA-N 0 0 266.341 0.635 10 0 CCAERN CC1(C)CN(C(=O)N[C@@H]2CCCn3ncnc32)CCO1 ZINC000177382424 278305112 /nfs/dbraw/zinc/30/51/12/278305112.db2.gz WAUBKHJZNIOQCH-SNVBAGLBSA-N 0 0 279.344 0.933 10 0 CCAERN C[C@@H]1CN(C)c2ccccc2CN1C(=O)CS(C)(=O)=O ZINC000267607237 288108372 /nfs/dbraw/zinc/10/83/72/288108372.db2.gz VEFUSSHIILEARK-LLVKDONJSA-N 0 0 296.392 0.898 10 0 CCAERN CC(C)N(C)C(=O)CN1CCS(=O)(=O)[C@@H](C)[C@@H]1C ZINC000132453261 279324033 /nfs/dbraw/zinc/32/40/33/279324033.db2.gz ICBDYVRIZMEJJP-QWRGUYRKSA-N 0 0 276.402 0.361 10 0 CCAERN CC(C)N(C)S(=O)(=O)N1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000252877897 279392365 /nfs/dbraw/zinc/39/23/65/279392365.db2.gz 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/nfs/dbraw/zinc/28/52/06/280285206.db2.gz NYNZLLXZVPATDR-ZDUSSCGKSA-N 0 0 274.368 0.872 10 0 CCAERN CC1(C)C(C(=O)N2CCOC[C@@H]2C(N)=O)C1(C)C ZINC000091785337 280880126 /nfs/dbraw/zinc/88/01/26/280880126.db2.gz ZJUVWWJXUJJVCB-MRVPVSSYSA-N 0 0 254.330 0.381 10 0 CCAERN CC[C@H]1OCCC[C@H]1C(=O)N1CCCN(C)C(=O)C1 ZINC000408474105 288361060 /nfs/dbraw/zinc/36/10/60/288361060.db2.gz DZODYPGNOXOKRE-VXGBXAGGSA-N 0 0 268.357 0.882 10 0 CCAERN C[C@@H]1OCC[C@@H]1NC(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000134476852 288889731 /nfs/dbraw/zinc/88/97/31/288889731.db2.gz CREAMVPOTWIDIU-AXFHLTTASA-N 0 0 283.372 0.862 10 0 CCAERN CN(C)C(=O)[C@H]1CCCN1C(=O)/C=C\c1cncc(O)c1 ZINC000492517885 289017052 /nfs/dbraw/zinc/01/70/52/289017052.db2.gz FRQUNFMFCIYDCQ-CFHLNLSMSA-N 0 0 289.335 0.880 10 0 CCAERN C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)C[C@@](C)(O)C1CC1 ZINC000329579307 289045054 /nfs/dbraw/zinc/04/50/54/289045054.db2.gz PJWRFVJHEWNISA-XNRPHZJLSA-N 0 0 296.411 0.859 10 0 CCAERN C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)C[C@](C)(O)C1CC1 ZINC000329579308 289045083 /nfs/dbraw/zinc/04/50/83/289045083.db2.gz PJWRFVJHEWNISA-XPKDYRNWSA-N 0 0 296.411 0.859 10 0 CCAERN CN1CCCN(C(=O)[C@@H]2CSCCS2)CC1=O ZINC000188165636 289930369 /nfs/dbraw/zinc/93/03/69/289930369.db2.gz CLOJHMJGTFHZSE-VIFPVBQESA-N 0 0 274.411 0.526 10 0 CCAERN CN1CCCN(C(=O)[C@H]2CSCCS2)CC1=O ZINC000188165657 289932946 /nfs/dbraw/zinc/93/29/46/289932946.db2.gz CLOJHMJGTFHZSE-SECBINFHSA-N 0 0 274.411 0.526 10 0 CCAERN CN1CCCN([C@H]2CCN(CC(F)(F)F)C2=O)CC1=O ZINC000191154798 289938537 /nfs/dbraw/zinc/93/85/37/289938537.db2.gz QFOKRGATRGRZFG-VIFPVBQESA-N 0 0 293.289 0.314 10 0 CCAERN C[C@H](O)C[C@H]1CCCCN1C(=O)[C@H]1CNC(=O)C1 ZINC000336787768 290147514 /nfs/dbraw/zinc/14/75/14/290147514.db2.gz MZNWOUXTVVXXPO-HBNTYKKESA-N 0 0 254.330 0.275 10 0 CCAERN COC[C@H](C)N(C)C(=O)N[C@@H]1CCC(=O)NC12CCC2 ZINC000374936021 293013006 /nfs/dbraw/zinc/01/30/06/293013006.db2.gz KIVFCHGLZRPRPL-WDEREUQCSA-N 0 0 283.372 0.864 10 0 CCAERN Cc1cscc1C(=O)N1CCC[C@](O)(C(N)=O)C1 ZINC000285365853 293083325 /nfs/dbraw/zinc/08/33/25/293083325.db2.gz FENWENLUOLYWPU-GFCCVEGCSA-N 0 0 268.338 0.509 10 0 CCAERN Cc1n[nH]c(C)c1[C@H](C)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000182425102 293117554 /nfs/dbraw/zinc/11/75/54/293117554.db2.gz UELNEINQOSKQOY-KWQFWETISA-N 0 0 288.355 0.853 10 0 CCAERN Cc1nnc([C@@H]2CN(C(=O)[C@H]3CCCCO3)CCO2)[nH]1 ZINC000125038628 293125032 /nfs/dbraw/zinc/12/50/32/293125032.db2.gz CTIXTQBFDPHZQC-MNOVXSKESA-N 0 0 280.328 0.582 10 0 CCAERN COC[C@H]([C@@H]1CCCO1)N1C(=O)N2CCC[C@]2(C)C1=O ZINC000330040286 293187962 /nfs/dbraw/zinc/18/79/62/293187962.db2.gz CIPYMBSLKDQOFF-UHIISALHSA-N 0 0 282.340 0.997 10 0 CCAERN COC[C@H]1CN(C(=O)c2cn[nH]c2)CC(C)(C)O1 ZINC000285545013 293231376 /nfs/dbraw/zinc/23/13/76/293231376.db2.gz QHJLSJZZMRYOGN-SNVBAGLBSA-N 0 0 253.302 0.676 10 0 CCAERN Cc1nc(CN2CC[C@H](N3CCOCC3)C2)no1 ZINC000173929120 293268466 /nfs/dbraw/zinc/26/84/66/293268466.db2.gz XUYJQVKIWPDBNV-NSHDSACASA-N 0 0 252.318 0.285 10 0 CCAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)N1CCO[C@H](C)C1 ZINC000083749796 293517915 /nfs/dbraw/zinc/51/79/15/293517915.db2.gz ROILYLNTEOOHCA-MWLCHTKSSA-N 0 0 279.344 0.852 10 0 CCAERN C[C@@H]1CN(Cc2ccnc(N(C)C)n2)CCS(=O)(=O)C1 ZINC000408392903 297033658 /nfs/dbraw/zinc/03/36/58/297033658.db2.gz ILMZJBPFKQPYAR-LLVKDONJSA-N 0 0 298.412 0.409 10 0 CCAERN CO[C@H]1C[C@@H](C(N)=O)N(C(=O)c2ccoc2C2CC2)C1 ZINC000284696614 294603278 /nfs/dbraw/zinc/60/32/78/294603278.db2.gz XEORMRMWHBSHJK-ONGXEEELSA-N 0 0 278.308 0.872 10 0 CCAERN CO[C@]1(C(=O)N2CCC[C@](C)(O)CC2)CCOC1 ZINC000352461395 294790766 /nfs/dbraw/zinc/79/07/66/294790766.db2.gz OIIMPFMSMICWAK-QWHCGFSZSA-N 0 0 257.330 0.555 10 0 CCAERN CO[C@]1(C)CCCN(C(=O)[C@@H](C)NC(N)=O)CC1 ZINC000357796087 294815918 /nfs/dbraw/zinc/81/59/18/294815918.db2.gz GTGJDVLQKCUMFK-BXKDBHETSA-N 0 0 257.334 0.461 10 0 CCAERN NC(=O)[C@@H]1COCCN1Cc1c(F)cccc1F ZINC000182765801 295120890 /nfs/dbraw/zinc/12/08/90/295120890.db2.gz XVNPYVMTUQKPCR-NSHDSACASA-N 0 0 256.252 0.651 10 0 CCAERN NC(=O)c1ccc(C(=O)N2C[C@@H]3CC[C@H](O)[C@@H]3C2)cn1 ZINC000408185772 295177498 /nfs/dbraw/zinc/17/74/98/295177498.db2.gz FBDOTTBTZLDGHI-UMNHJUIQSA-N 0 0 275.308 0.023 10 0 CCAERN COc1ccc[n+]([O-])c1I ZINC000095830568 295280619 /nfs/dbraw/zinc/28/06/19/295280619.db2.gz OTKYRWZRXNHMBP-UHFFFAOYSA-N 0 0 251.023 0.933 10 0 CCAERN COc1cccc([C@H](C)C(=O)N2CCOC[C@@H]2C(N)=O)c1 ZINC000180215774 295323112 /nfs/dbraw/zinc/32/31/12/295323112.db2.gz SZFFEMLXMWHKHR-GXFFZTMASA-N 0 0 292.335 0.511 10 0 CCAERN C[C@H]1CC[C@H](O)CN1S(=O)(=O)c1cccnc1 ZINC000399318322 545089345 /nfs/dbraw/zinc/08/93/45/545089345.db2.gz GXNDKXUUFLIVRY-UWVGGRQHSA-N 0 0 256.327 0.616 10 0 CCAERN Cn1[n-]nnc1=N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000390768822 545087409 /nfs/dbraw/zinc/08/74/09/545087409.db2.gz JWBMONGXXBHMOF-RRFJBIMHSA-N 0 0 298.394 0.955 10 0 CCAERN C[C@H]1C[C@H](O)CN(S(=O)(=O)c2cccnc2)C1 ZINC000401967049 545090848 /nfs/dbraw/zinc/09/08/48/545090848.db2.gz VQMYPIHPPGRWMO-UWVGGRQHSA-N 0 0 256.327 0.473 10 0 CCAERN C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)[C@@H]1CCCC(=O)N1 ZINC000328823663 297785291 /nfs/dbraw/zinc/78/52/91/297785291.db2.gz RFSCYDKJJPIYLG-VJSSZMMUSA-N 0 0 272.370 0.863 10 0 CCAERN C[C@H]1COC[C@H](C)N1CC(=O)Nc1nncs1 ZINC000172667398 300363437 /nfs/dbraw/zinc/36/34/37/300363437.db2.gz VQEGKYVDZDMTBE-YUMQZZPRSA-N 0 0 256.331 0.586 10 0 CCAERN C[C@H]1CS(=O)(=O)CCN1C(=O)[C@H]1CCCO[C@H]1C ZINC000253353202 300373409 /nfs/dbraw/zinc/37/34/09/300373409.db2.gz SIJPBKOASGUCOJ-DCAQKATOSA-N 0 0 275.370 0.447 10 0 CCAERN O=C1NCCC[C@H]1NS(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000333186226 304669074 /nfs/dbraw/zinc/66/90/74/304669074.db2.gz QVKUFPBUEBTIGL-LMLFDSFASA-N 0 0 272.370 0.373 10 0 CCAERN C[C@H]1OCCN(C(=O)c2cc(C(C)(C)C)on2)[C@@H]1C(N)=O ZINC000285347437 300595476 /nfs/dbraw/zinc/59/54/76/300595476.db2.gz MNABJQOSTDSYCD-KCJUWKMLSA-N 0 0 295.339 0.687 10 0 CCAERN C[C@H]1OCCN(C(=O)c2ncc(F)cc2F)[C@@H]1C(N)=O ZINC000285371630 300598278 /nfs/dbraw/zinc/59/82/78/300598278.db2.gz OCBZUKBJUYYBSB-LDWIPMOCSA-N 0 0 285.250 0.075 10 0 CCAERN Cc1c(C(=O)N2CCOC[C@@H]2C(N)=O)cnn1CC(C)C ZINC000091784356 300924926 /nfs/dbraw/zinc/92/49/26/300924926.db2.gz TZKWUNVMFNAWMF-GFCCVEGCSA-N 0 0 294.355 0.174 10 0 CCAERN Cn1ccnc1C(=O)N1CC[C@]2(CCN2c2ncccn2)C1 ZINC000096076165 302987209 /nfs/dbraw/zinc/98/72/09/302987209.db2.gz JCPBHVSYUQSCLK-HNNXBMFYSA-N 0 0 298.350 0.705 10 0 CCAERN NC(=O)CN(CC(N)=O)C(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000163288156 303249446 /nfs/dbraw/zinc/24/94/46/303249446.db2.gz LKECLTDSKPAIOP-QWRGUYRKSA-N 0 0 281.356 0.002 10 0 CCAERN O=C(N[C@@H]1CCC(=O)NC12CCC2)N1CCSCC1 ZINC000334394110 303830675 /nfs/dbraw/zinc/83/06/75/303830675.db2.gz JMBNEHZSTFLLAB-SNVBAGLBSA-N 0 0 283.397 0.946 10 0 CCAERN O=C(N[C@@H]1CCC12CCCC2)N1CCNC(=O)C1 ZINC000336514947 303832350 /nfs/dbraw/zinc/83/23/50/303832350.db2.gz MURSOQMXZKMFHH-SNVBAGLBSA-N 0 0 251.330 0.851 10 0 CCAERN O=C(N[C@H]1CCO[C@H]1C1CC1)N1CCCOCC1 ZINC000332752167 327649715 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0.974 10 0 CCAERN COC(=O)CC(C)(C)CC(=O)NC[C@@H]1CN(C)CCO1 ZINC000136738226 350427045 /nfs/dbraw/zinc/42/70/45/350427045.db2.gz AOEXVTOINVFSLR-LLVKDONJSA-N 0 0 286.372 0.413 10 0 CCAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)c1cn[nH]c1)CC2 ZINC000136820133 350429464 /nfs/dbraw/zinc/42/94/64/350429464.db2.gz VOWWTILFRHJVCS-SNVBAGLBSA-N 0 0 274.328 0.869 10 0 CCAERN COCCN1CCN(CC(=O)NCc2ccco2)C[C@@H]1C ZINC000105832015 186076966 /nfs/dbraw/zinc/07/69/66/186076966.db2.gz BRAUKZIWHGKFPS-ZDUSSCGKSA-N 0 0 295.383 0.548 10 0 CCAERN O=C1O[C@@H](CO)CN1c1ccc(N2CCOCC2)cc1 ZINC000141460022 350453713 /nfs/dbraw/zinc/45/37/13/350453713.db2.gz XBIDNDZEMBYVFR-CYBMUJFWSA-N 0 0 278.308 0.841 10 0 CCAERN Cc1ccc(S(=O)(=O)N2C[C@@H]3C[C@@H](O)[C@@H]3C2)cc1 ZINC000142515614 350457018 /nfs/dbraw/zinc/45/70/18/350457018.db2.gz BGOYZQVNHDZPBO-CYZMBNFOSA-N 0 0 267.350 0.996 10 0 CCAERN CNC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000106433754 186116945 /nfs/dbraw/zinc/11/69/45/186116945.db2.gz CBZJKLBFQRZOOI-UHFFFAOYSA-N 0 0 255.299 0.036 10 0 CCAERN CN(C(=O)CN1CCN(C)CC1)c1cccc(N)c1 ZINC000145467823 350464757 /nfs/dbraw/zinc/46/47/57/350464757.db2.gz YVXFDJLSQIJUGW-UHFFFAOYSA-N 0 0 262.357 0.479 10 0 CCAERN CCCCNC(=O)[C@@H](C)N1CCO[C@H](Cn2cccn2)C1 ZINC000105889894 186084596 /nfs/dbraw/zinc/08/45/96/186084596.db2.gz LNAKATQNFXPYSM-KGLIPLIRSA-N 0 0 294.399 0.889 10 0 CCAERN COC(=O)N[C@H](C(=O)OC)C1CCN(C(C)=O)CC1 ZINC000147060011 350467970 /nfs/dbraw/zinc/46/79/70/350467970.db2.gz YPCZAGIFMQPVIE-JTQLQIEISA-N 0 0 272.301 0.143 10 0 CCAERN CNS(=O)(=O)c1ccc(Br)c(N)c1 ZINC000148084379 350472315 /nfs/dbraw/zinc/47/23/15/350472315.db2.gz UZMFTMCFIBIRCL-UHFFFAOYSA-N 0 0 265.132 0.939 10 0 CCAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1cnns1 ZINC000151271568 350496659 /nfs/dbraw/zinc/49/66/59/350496659.db2.gz LDNLCQJWLXNJMX-SSDOTTSWSA-N 0 0 278.341 0.957 10 0 CCAERN Cc1ccncc1S(=O)(=O)N1CC[C@H](C)[C@@H](O)C1 ZINC000408459386 137894246 /nfs/dbraw/zinc/89/42/46/137894246.db2.gz IIIQZHHDQFXTHO-ONGXEEELSA-N 0 0 270.354 0.781 10 0 CCAERN Cn1cc([C@H]2CCCN2C(=O)[C@@H]2CCNC(=O)C2)cn1 ZINC000154852398 350602301 /nfs/dbraw/zinc/60/23/01/350602301.db2.gz ZATANCSJRRSKJH-ZYHUDNBSSA-N 0 0 276.340 0.610 10 0 CCAERN Cc1cccc(NC(=O)C2CC3(C2)NC(=O)NC3=O)c1 ZINC000154562518 350592822 /nfs/dbraw/zinc/59/28/22/350592822.db2.gz JWCDPQVZLOLRJF-UHFFFAOYSA-N 0 0 273.292 0.922 10 0 CCAERN CCS(=O)(=O)NCCN1CCC(c2cc[nH]n2)CC1 ZINC000109327009 186247970 /nfs/dbraw/zinc/24/79/70/186247970.db2.gz HKCAWAYBAGXAFF-UHFFFAOYSA-N 0 0 286.401 0.528 10 0 CCAERN COc1cccc(CN(C)C(=O)[C@H]2CNC(=O)C2)c1 ZINC000110343972 186292327 /nfs/dbraw/zinc/29/23/27/186292327.db2.gz MDXVJJBVFGCENK-LLVKDONJSA-N 0 0 262.309 0.790 10 0 CCAERN Cc1cc([C@H]2CCCN2C(=O)[C@H]2CNC(=O)C2)on1 ZINC000110360283 186293632 /nfs/dbraw/zinc/29/36/32/186293632.db2.gz NXKIGVKBAKSBGR-NXEZZACHSA-N 0 0 263.297 0.783 10 0 CCAERN COc1ccc(NC(=O)[C@@H]2CNC(=O)C2)cc1F ZINC000110354285 186293829 /nfs/dbraw/zinc/29/38/29/186293829.db2.gz MDURJCMMXOAKEE-ZETCQYMHSA-N 0 0 252.245 0.909 10 0 CCAERN CCCCNC(=O)C1CCN(C(=O)[C@@H]2CNC(=O)C2)CC1 ZINC000110359850 186293852 /nfs/dbraw/zinc/29/38/52/186293852.db2.gz FJBUPAQKSPYNPN-LBPRGKRZSA-N 0 0 295.383 0.277 10 0 CCAERN O=C(CN1CCCC1=O)N1CCO[C@@H](c2nccs2)C1 ZINC000110874494 186330552 /nfs/dbraw/zinc/33/05/52/186330552.db2.gz HZPDVKZCXYHGBW-SNVBAGLBSA-N 0 0 295.364 0.665 10 0 CCAERN COC(=O)[C@@H]1C[C@@H](O)CN1C[C@@H]1Cc2ccccc21 ZINC000163815138 350773989 /nfs/dbraw/zinc/77/39/89/350773989.db2.gz IZHFAHWLMHSLCT-SCRDCRAPSA-N 0 0 261.321 0.935 10 0 CCAERN Nc1cc(S(N)(=O)=O)c(F)cc1Br ZINC000166509927 350799485 /nfs/dbraw/zinc/79/94/85/350799485.db2.gz IKLIRJBQLHYGMY-UHFFFAOYSA-N 0 0 269.095 0.818 10 0 CCAERN Cc1noc(C(C)C)c1C(=O)N1CCO[C@H](CO)C1 ZINC000168328985 350824268 /nfs/dbraw/zinc/82/42/68/350824268.db2.gz HSGZFNSLEICLQR-JTQLQIEISA-N 0 0 268.313 0.940 10 0 CCAERN NC(=O)c1ccc(C(=O)N2CCC[C@H](c3cc[nH]n3)C2)cn1 ZINC000170678641 350852737 /nfs/dbraw/zinc/85/27/37/350852737.db2.gz IKVWBXFFQRBCSA-NSHDSACASA-N 0 0 299.334 0.923 10 0 CCAERN Cn1cnn(Cc2ccc(Br)cn2)c1=O ZINC000168462720 350827409 /nfs/dbraw/zinc/82/74/09/350827409.db2.gz BVJGCGPTKZDMPT-UHFFFAOYSA-N 0 0 269.102 0.788 10 0 CCAERN CC[C@H](C)NC(=O)CN1CCCN(c2cccnn2)CC1 ZINC000171547372 350914678 /nfs/dbraw/zinc/91/46/78/350914678.db2.gz SKEQJDRZRCDCCZ-ZDUSSCGKSA-N 0 0 291.399 0.903 10 0 CCAERN Cn1ncc2c1ncnc2N1CCC[C@H](n2cncn2)C1 ZINC000171545712 350915423 /nfs/dbraw/zinc/91/54/23/350915423.db2.gz LQQYLQCPXMTJJZ-JTQLQIEISA-N 0 0 284.327 0.796 10 0 CCAERN CN(CC1CC1)C(=O)CN1CCC[C@@H](n2cncn2)C1 ZINC000171619958 350921302 /nfs/dbraw/zinc/92/13/02/350921302.db2.gz IGYKCXVWKPZHKK-CYBMUJFWSA-N 0 0 277.372 0.783 10 0 CCAERN C[C@H](NC(=O)N1CCC[C@H]1c1cnn(C)c1)C(=O)N(C)C ZINC000170895635 350872088 /nfs/dbraw/zinc/87/20/88/350872088.db2.gz WDXFEJYEZHFLOH-JQWIXIFHSA-N 0 0 293.371 0.743 10 0 CCAERN CN1CCO[C@H](CNC(=O)NOCc2ccccc2)C1 ZINC000170920509 350874427 /nfs/dbraw/zinc/87/44/27/350874427.db2.gz NEPZNZQQHZGLHA-CYBMUJFWSA-N 0 0 279.340 0.748 10 0 CCAERN Cc1nn(C)cc1[C@@H](C)NC(=O)[C@H]1CNC(=O)C1 ZINC000171077284 350883547 /nfs/dbraw/zinc/88/35/47/350883547.db2.gz ACKOPMFIBKWRHT-VXNVDRBHSA-N 0 0 250.302 0.042 10 0 CCAERN CN(C)CC(=O)Nc1ccc(N2CCOCC2)nc1 ZINC000171202217 350893871 /nfs/dbraw/zinc/89/38/71/350893871.db2.gz BVHOVQSHOCXZIA-UHFFFAOYSA-N 0 0 264.329 0.418 10 0 CCAERN C[C@@H](CNC(=O)[C@H]1CNC(=O)C1)Oc1cccc(F)c1 ZINC000172744312 351007555 /nfs/dbraw/zinc/00/75/55/351007555.db2.gz CYQWNAOTEWUMGX-VHSXEESVSA-N 0 0 280.299 0.845 10 0 CCAERN O=C(COc1ccccc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172745871 351007633 /nfs/dbraw/zinc/00/76/33/351007633.db2.gz DQNNCFVQQGSWGC-CQSZACIVSA-N 0 0 290.363 0.999 10 0 CCAERN C[C@H](O)CCNC(=O)NCc1ccc(CO)c(F)c1 ZINC000172228291 350968560 /nfs/dbraw/zinc/96/85/60/350968560.db2.gz GRRXJDLQRMEVNR-VIFPVBQESA-N 0 0 270.304 0.888 10 0 CCAERN Cc1nn(C)c(C)c1C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000172753885 351008175 /nfs/dbraw/zinc/00/81/75/351008175.db2.gz MAXFVPHFYLDEKS-CYBMUJFWSA-N 0 0 292.383 0.584 10 0 CCAERN C[C@H](NC(=O)CNC(=O)c1ccccn1)[C@@H]1CCCO1 ZINC000172511271 350989397 /nfs/dbraw/zinc/98/93/97/350989397.db2.gz SDGMQDDNGXZNNJ-JQWIXIFHSA-N 0 0 277.324 0.495 10 0 CCAERN C[C@H](NC(=O)N1CCC(c2cc[nH]n2)CC1)C(=O)N(C)C ZINC000172548373 350991683 /nfs/dbraw/zinc/99/16/83/350991683.db2.gz SOSXOVOCGIMGOT-JTQLQIEISA-N 0 0 293.371 0.775 10 0 CCAERN O=C(N[C@@H]1CCCN(c2cccnn2)C1)c1cncc(O)c1 ZINC000172623056 351000262 /nfs/dbraw/zinc/00/02/62/351000262.db2.gz SSLPFFGFFLLBBM-GFCCVEGCSA-N 0 0 299.334 0.976 10 0 CCAERN CCCS(=O)(=O)N[C@H]1Cc2ccccc2[C@H]1O ZINC000172661991 351003509 /nfs/dbraw/zinc/00/35/09/351003509.db2.gz XMSSKOXYMBJLML-NWDGAFQWSA-N 0 0 255.339 0.974 10 0 CCAERN O=C(N[C@@H]1CCc2ncnn2C1)[C@@H]1CCCOC1 ZINC000112646674 186511957 /nfs/dbraw/zinc/51/19/57/186511957.db2.gz HBVWKJSHTUWOGZ-NXEZZACHSA-N 0 0 250.302 0.136 10 0 CCAERN O=C(CC1(O)CCCC1)N1CC[C@H](N2CCOCC2)C1 ZINC000173330089 351035885 /nfs/dbraw/zinc/03/58/85/351035885.db2.gz YZQYNDPASDUIPX-ZDUSSCGKSA-N 0 0 282.384 0.615 10 0 CCAERN CNc1cc(N2CCC[C@H]2CNC(=O)CCOC)ncn1 ZINC000173417231 351038868 /nfs/dbraw/zinc/03/88/68/351038868.db2.gz NBHSAPJBGCQKHO-NSHDSACASA-N 0 0 293.371 0.640 10 0 CCAERN CCS(=O)(=O)C[C@@H](C)N(C)C(=O)[C@@H](C)COC ZINC000112848808 186537529 /nfs/dbraw/zinc/53/75/29/186537529.db2.gz FJZOEVOLRQUNLS-VHSXEESVSA-N 0 0 265.375 0.551 10 0 CCAERN Cc1nnc([C@@H]2CN(C(=O)CCOC(C)C)CCO2)[nH]1 ZINC000173521087 351042472 /nfs/dbraw/zinc/04/24/72/351042472.db2.gz DFWPTNLZGJURDT-NSHDSACASA-N 0 0 282.344 0.828 10 0 CCAERN Cc1cc(C(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)no1 ZINC000173522688 351042907 /nfs/dbraw/zinc/04/29/07/351042907.db2.gz KNGOFJSPVKWAID-JTQLQIEISA-N 0 0 277.284 0.623 10 0 CCAERN CO[C@@H](C)CC(=O)N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000173529585 351043507 /nfs/dbraw/zinc/04/35/07/351043507.db2.gz WJMRKIUZLPNBJU-WCBMZHEXSA-N 0 0 268.317 0.438 10 0 CCAERN CCOCC(=O)N1CCO[C@H](c2nnc(CC)[nH]2)C1 ZINC000173560724 351044878 /nfs/dbraw/zinc/04/48/78/351044878.db2.gz JBSQNZBLSKFQKI-VIFPVBQESA-N 0 0 268.317 0.304 10 0 CCAERN CCc1nnc([C@@H]2CN(C(=O)CCOC)CCO2)[nH]1 ZINC000173577084 351045822 /nfs/dbraw/zinc/04/58/22/351045822.db2.gz DKNWRQRNNPDTDQ-VIFPVBQESA-N 0 0 268.317 0.304 10 0 CCAERN C[C@@H]1CN(C(=O)c2cnccn2)C[C@@H]1N1CCOCC1 ZINC000173848373 351057767 /nfs/dbraw/zinc/05/77/67/351057767.db2.gz HODRAQNKIXOCCY-YPMHNXCESA-N 0 0 276.340 0.269 10 0 CCAERN C[C@H]1CN(C(=O)c2cnns2)C[C@@H]1N1CCOCC1 ZINC000173865086 351059121 /nfs/dbraw/zinc/05/91/21/351059121.db2.gz MQWQRFBMMVEPNP-UWVGGRQHSA-N 0 0 282.369 0.331 10 0 CCAERN CSCCCNC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000173891486 351059939 /nfs/dbraw/zinc/05/99/39/351059939.db2.gz OSGLBKVWURDAQA-LBPRGKRZSA-N 0 0 287.429 0.856 10 0 CCAERN CCOCCC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000173875541 351060355 /nfs/dbraw/zinc/06/03/55/351060355.db2.gz IYPDTWJXRSEXSU-QWHCGFSZSA-N 0 0 270.373 0.592 10 0 CCAERN O=C(CN1CC[C@H](N2CCOCC2)C1)NCC(F)(F)F ZINC000173941061 351063447 /nfs/dbraw/zinc/06/34/47/351063447.db2.gz VMZCCARSDQSWGU-JTQLQIEISA-N 0 0 295.305 0.071 10 0 CCAERN Cc1ccc2[nH]c(CNC(=O)[C@@H]3CNC(=O)C3)nc2c1 ZINC000174881384 351108976 /nfs/dbraw/zinc/10/89/76/351108976.db2.gz FQWBUCOQVULVLK-VIFPVBQESA-N 0 0 272.308 0.624 10 0 CCAERN CC(C)n1nnnc1CN1CCN(c2cnn(C)c2)CC1 ZINC000174923741 351111134 /nfs/dbraw/zinc/11/11/34/351111134.db2.gz LOECXSUJFXLBLP-UHFFFAOYSA-N 0 0 290.375 0.310 10 0 CCAERN CN1CCO[C@@H](CNC(=O)[C@H](O)c2ccccc2)C1 ZINC000174392842 351083516 /nfs/dbraw/zinc/08/35/16/351083516.db2.gz HXJALOPITLFNNC-QWHCGFSZSA-N 0 0 264.325 0.167 10 0 CCAERN CCOCCCNC(=O)N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000175294244 351124876 /nfs/dbraw/zinc/12/48/76/351124876.db2.gz AEOGGTBUGDFPLZ-LLVKDONJSA-N 0 0 297.359 0.623 10 0 CCAERN CC(=O)NCCCNC(=O)N[C@@H]1CCCC[C@H]1CO ZINC000175952141 351151309 /nfs/dbraw/zinc/15/13/09/351151309.db2.gz AKYHRDBUUFZQJC-NWDGAFQWSA-N 0 0 271.361 0.363 10 0 CCAERN O=C(N[C@@H]1CCc2ncnn2C1)N[C@@H]1CCCC[C@@H]1CO ZINC000176094764 351157240 /nfs/dbraw/zinc/15/72/40/351157240.db2.gz NSVCUTJREIRCPY-IJLUTSLNSA-N 0 0 293.371 0.443 10 0 CCAERN O=C(CC1(O)CCCC1)N[C@@H]1CCCn2ncnc21 ZINC000176129012 351157980 /nfs/dbraw/zinc/15/79/80/351157980.db2.gz PHFAZIPLMBKGGN-SNVBAGLBSA-N 0 0 264.329 0.924 10 0 CCAERN COc1csc(C(=O)NC[C@@H]2CN(C)CCO2)c1 ZINC000176686757 351182107 /nfs/dbraw/zinc/18/21/07/351182107.db2.gz PIZMSVGXAXQKJC-SNVBAGLBSA-N 0 0 270.354 0.817 10 0 CCAERN CS(=O)(=O)CCCC(=O)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000178697740 351241047 /nfs/dbraw/zinc/24/10/47/351241047.db2.gz RQNFTLYEAMIWRI-OCCSQVGLSA-N 0 0 297.376 0.586 10 0 CCAERN C[C@H](C(=O)N[C@H]1Cc2ccccc2[C@@H]1O)n1cncn1 ZINC000178713232 351241850 /nfs/dbraw/zinc/24/18/50/351241850.db2.gz SNRNUBWKIGGTPK-ICCXJUOJSA-N 0 0 272.308 0.614 10 0 CCAERN Cc1nccn1C[C@H]1CCCN1C(=O)[C@H]1CN(C)CCO1 ZINC000177176106 351196252 /nfs/dbraw/zinc/19/62/52/351196252.db2.gz HYQQTOPBRXYMFI-ZIAGYGMSSA-N 0 0 292.383 0.513 10 0 CCAERN CCOC(=O)[C@H](C)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000177221640 351197234 /nfs/dbraw/zinc/19/72/34/351197234.db2.gz AAZLXMYJNURANV-RWMBFGLXSA-N 0 0 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/nfs/dbraw/zinc/09/02/45/978090245.db2.gz YOCZNGFFUJNBIK-NQUGEPOWSA-N 0 0 278.352 0.555 10 0 CCAERN O=C([O-])c1ccc(CNC(=O)[C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)o1 ZINC000720970917 978090683 /nfs/dbraw/zinc/09/06/83/978090683.db2.gz AGCNDHZPRWWSQH-WCABBAIRSA-N 0 0 264.281 0.450 10 0 CCAERN C[NH+](C)CCOCCNC(=O)c1csc(C(=O)[O-])n1 ZINC000721492251 978113440 /nfs/dbraw/zinc/11/34/40/978113440.db2.gz OUMITYDMPWGWFA-UHFFFAOYSA-N 0 0 287.341 0.149 10 0 CCAERN C[C@@H]1C[NH2+]C[C@H]1CC(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC000722504821 978144232 /nfs/dbraw/zinc/14/42/32/978144232.db2.gz RNAMFFRZWVSYCR-YUSALJHKSA-N 0 0 268.357 0.849 10 0 CCAERN CC[C@@H]([NH2+][C@H]1CON(C(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC000722501308 978144243 /nfs/dbraw/zinc/14/42/43/978144243.db2.gz CZHSULRXGRWCBE-RKDXNWHRSA-N 0 0 274.317 0.990 10 0 CCAERN C[C@@H]1C[N@H+](CC(=O)NC[C@H]2CCCO2)C[C@H]1CC(=O)[O-] ZINC000722632593 978155393 /nfs/dbraw/zinc/15/53/93/978155393.db2.gz YYCZWHMPYULHMU-IJLUTSLNSA-N 0 0 284.356 0.324 10 0 CCAERN O=C([O-])c1ccc(C(=O)N2CC[NH+]3CCC2CC3)[nH]1 ZINC000722811689 978166704 /nfs/dbraw/zinc/16/67/04/978166704.db2.gz CDLOJOHMNUJFAX-UHFFFAOYSA-N 0 0 263.297 0.633 10 0 CCAERN C[C@@H]1C[C@H](Cn2cc(C[C@@H]([NH3+])C(=O)[O-])nn2)C[C@H](C)O1 ZINC000724439531 978228564 /nfs/dbraw/zinc/22/85/64/978228564.db2.gz VPAXWAMYVOTIAL-FYLLDIAZSA-N 0 0 282.344 0.436 10 0 CCAERN O=C([O-])[C@]12CCC[C@H]1C[N@H+](C[C@@H]1C[C@@H]3COC[C@H]3O1)C2 ZINC000724578804 978230638 /nfs/dbraw/zinc/23/06/38/978230638.db2.gz QHXHIEJYGFIWNQ-KDBYPZKRSA-N 0 0 281.352 0.977 10 0 CCAERN C[C@@H](CC[NH+](C)C)NC(=O)Nc1cc(C(=O)[O-])nn1C ZINC000725228466 978278394 /nfs/dbraw/zinc/27/83/94/978278394.db2.gz PPOCFCCCQBXACJ-QMMMGPOBSA-N 0 0 283.332 0.580 10 0 CCAERN Cc1ccc([C@@H](O)CN2CCn3c(nn(C)c3=O)C2)cc1 ZINC000090678859 349440710 /nfs/dbraw/zinc/44/07/10/349440710.db2.gz MOZOULPEJMOCQQ-ZDUSSCGKSA-N 0 0 288.351 0.439 10 0 CCAERN CSc1ccc(C(=O)N2CCOC[C@H]2C(N)=O)o1 ZINC000091783751 349476292 /nfs/dbraw/zinc/47/62/92/349476292.db2.gz KSQXAUQOLIPLJW-ZETCQYMHSA-N 0 0 270.310 0.328 10 0 CCAERN C[C@H]1CCN(c2nnc(Cl)cc2C(N)=O)C[C@@H]1O ZINC000092978180 349517355 /nfs/dbraw/zinc/51/73/55/349517355.db2.gz FLEDXVJDFGHDDZ-XPUUQOCRSA-N 0 0 270.720 0.436 10 0 CCAERN COc1ccc(C(=O)N2CCN(C(C)=O)CC2)c(N)c1 ZINC000082698460 178198999 /nfs/dbraw/zinc/19/89/99/178198999.db2.gz DNBHZSXBQCHYHD-UHFFFAOYSA-N 0 0 277.324 0.582 10 0 CCAERN C[C@@H](O)CN1CCN(C(=O)c2cncnc2)C[C@@H]1C ZINC000273843186 192329769 /nfs/dbraw/zinc/32/97/69/192329769.db2.gz RGVSWEXNJZBNSM-WDEREUQCSA-N 0 0 264.329 0.004 10 0 CCAERN Cc1n[nH]c(C)c1NC(=O)Cn1cc([C@H](C)O)nn1 ZINC000125066330 187167853 /nfs/dbraw/zinc/16/78/53/187167853.db2.gz NHIPNENYUSUTDE-QMMMGPOBSA-N 0 0 264.289 0.310 10 0 CCAERN C[C@H](CC(=O)c1cccs1)NC(=O)[C@H]1CNC(=O)C1 ZINC000125141034 187171706 /nfs/dbraw/zinc/17/17/06/187171706.db2.gz HRANPYNZHKDMHE-RKDXNWHRSA-N 0 0 280.349 0.962 10 0 CCAERN CC(=O)c1ccccc1NC(=O)CSC[C@@H](O)CO ZINC000093958508 349558231 /nfs/dbraw/zinc/55/82/31/349558231.db2.gz MSBGKVDPYGHAHY-JTQLQIEISA-N 0 0 283.349 0.914 10 0 CCAERN CS(=O)(=O)N1CC[C@]2(C[C@@H](OCC3CCC3)CO2)C1 ZINC000096107822 185100049 /nfs/dbraw/zinc/10/00/49/185100049.db2.gz AQHKNXHDTSIOCZ-OLZOCXBDSA-N 0 0 289.397 0.996 10 0 CCAERN COc1cccc(NC(=O)CSC[C@H](O)CO)c1 ZINC000093958678 349558474 /nfs/dbraw/zinc/55/84/74/349558474.db2.gz UCYFTYISJKIQTM-SNVBAGLBSA-N 0 0 271.338 0.720 10 0 CCAERN COc1ccc([C@@H]2NC(=O)[C@H]3COCCN32)cc1OC ZINC000093883266 349555978 /nfs/dbraw/zinc/55/59/78/349555978.db2.gz DEFYDIUHMFJDGZ-ZWNOBZJWSA-N 0 0 278.308 0.533 10 0 CCAERN Cc1cc([C@@H]2NC(=O)[C@@H]3COCCN23)ccc1F ZINC000093885116 349556837 /nfs/dbraw/zinc/55/68/37/349556837.db2.gz YHRJNCHTUPOMTK-NWDGAFQWSA-N 0 0 250.273 0.963 10 0 CCAERN COc1ccc(OCCN2CCO[C@@H](CO)C2)cc1 ZINC000094268052 349564724 /nfs/dbraw/zinc/56/47/24/349564724.db2.gz LTUSBAXLZGZFLE-CQSZACIVSA-N 0 0 267.325 0.767 10 0 CCAERN O=c1[nH]c2ccccc2n1CCCN1CCO[C@@H](CO)C1 ZINC000094268231 349565234 /nfs/dbraw/zinc/56/52/34/349565234.db2.gz ORVSPNGWLMZCAR-GFCCVEGCSA-N 0 0 291.351 0.413 10 0 CCAERN CCOC(=O)[C@@H]1CCCN1c1ccc2nnnn2n1 ZINC000094726921 349573450 /nfs/dbraw/zinc/57/34/50/349573450.db2.gz BFBGLDXOZLIPMG-QMMMGPOBSA-N 0 0 262.273 0.051 10 0 CCAERN C[C@H]1CNCCN1S(=O)(=O)c1nc2ccccc2o1 ZINC000095069646 349586370 /nfs/dbraw/zinc/58/63/70/349586370.db2.gz NITNSLFFQWBOKN-VIFPVBQESA-N 0 0 281.337 0.810 10 0 CCAERN O=C([O-])[C@@H]1CN(Cc2cnc(Cl)nc2Cl)CC[NH2+]1 ZINC000095078071 349589063 /nfs/dbraw/zinc/58/90/63/349589063.db2.gz RVXWTQJKEAKSTE-ZETCQYMHSA-N 0 0 291.138 0.642 10 0 CCAERN Cc1cc(Cl)nc(N2CC[NH2+][C@H](C(=O)[O-])C2)n1 ZINC000095089893 349589839 /nfs/dbraw/zinc/58/98/39/349589839.db2.gz AIGSZTARWXCKBB-ZETCQYMHSA-N 0 0 256.693 0.301 10 0 CCAERN COCCNC(=O)c1cn2nc(OC)ccc2n1 ZINC000097938746 349649094 /nfs/dbraw/zinc/64/90/94/349649094.db2.gz OFPGQWRNKHHSRA-UHFFFAOYSA-N 0 0 250.258 0.114 10 0 CCAERN CCOC(=O)c1ncn2c1[nH]cc(C(=O)OCC)c2=O ZINC000100724892 349659175 /nfs/dbraw/zinc/65/91/75/349659175.db2.gz MGCFLMVXFWCLAT-UHFFFAOYSA-N 0 0 279.252 0.376 10 0 CCAERN CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)NCCc1nc(C)no1 ZINC000101609773 349666485 /nfs/dbraw/zinc/66/64/85/349666485.db2.gz DPYLOZKSXFSVSP-RKDXNWHRSA-N 0 0 297.359 0.523 10 0 CCAERN C[C@@H]1CCCCN1S(=O)(=O)c1nnc(N)s1 ZINC000083456380 178470670 /nfs/dbraw/zinc/47/06/70/178470670.db2.gz UERZXUZOZAOHPL-ZCFIWIBFSA-N 0 0 262.360 0.683 10 0 CCAERN Cc1nc(C(=O)N2CCO[C@@H](CO)C2)c(C)s1 ZINC000269838244 190557933 /nfs/dbraw/zinc/55/79/33/190557933.db2.gz UNPPHVPRVITZGM-SECBINFHSA-N 0 0 256.327 0.593 10 0 CCAERN CO[C@@H](C)CC(=O)N1CCCN(c2cccnn2)CC1 ZINC000105811644 349724798 /nfs/dbraw/zinc/72/47/98/349724798.db2.gz HPOPVZAJVLDJGC-LBPRGKRZSA-N 0 0 278.356 0.940 10 0 CCAERN CC(C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000104205256 349712058 /nfs/dbraw/zinc/71/20/58/349712058.db2.gz AYYWMEVSLUBWSW-NEPJUHHUSA-N 0 0 295.383 0.357 10 0 CCAERN O=C(CCCc1ccccn1)N1CCNC(=O)CC1 ZINC000104871124 349719154 /nfs/dbraw/zinc/71/91/54/349719154.db2.gz OBMOAJKBOYAVFC-UHFFFAOYSA-N 0 0 261.325 0.753 10 0 CCAERN OCCCC[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000105909075 349727953 /nfs/dbraw/zinc/72/79/53/349727953.db2.gz TZIBQGFMWIJRGN-UHFFFAOYSA-N 0 0 250.346 0.761 10 0 CCAERN COC(=O)C[C@@H]1CCCCN1C(=O)[C@H]1CNC(=O)C1 ZINC000110355735 349759663 /nfs/dbraw/zinc/75/96/63/349759663.db2.gz UDHFLXPMBHGMMM-ZJUUUORDSA-N 0 0 268.313 0.067 10 0 CCAERN CSC[C@@H](C)NC(=O)[C@@]1(O)CCCN(C(C)=O)C1 ZINC000408051098 137829063 /nfs/dbraw/zinc/82/90/63/137829063.db2.gz NKEXOPIXZMORKO-BXKDBHETSA-N 0 0 274.386 0.228 10 0 CCAERN CCN(CC1CC1)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000112215807 349778971 /nfs/dbraw/zinc/77/89/71/349778971.db2.gz SSZRFQNIEZEUNT-GFCCVEGCSA-N 0 0 255.362 0.759 10 0 CCAERN COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CNC(=O)C1 ZINC000112607019 349782740 /nfs/dbraw/zinc/78/27/40/349782740.db2.gz RRTJTTGGCKNZRY-RYUDHWBXSA-N 0 0 290.319 0.023 10 0 CCAERN O=C(N[C@H]1CCc2ncnn2C1)c1cccc2c[nH]nc21 ZINC000112649099 349784151 /nfs/dbraw/zinc/78/41/51/349784151.db2.gz RAYFFPGIWYQDIL-JTQLQIEISA-N 0 0 282.307 0.899 10 0 CCAERN O=C(N[C@H]1CCc2ncnn2C1)[C@@H]1CCCOC1 ZINC000112646675 349784226 /nfs/dbraw/zinc/78/42/26/349784226.db2.gz HBVWKJSHTUWOGZ-ZJUUUORDSA-N 0 0 250.302 0.136 10 0 CCAERN O=C(CSc1ccncc1)N[C@@H]1CCc2ncnn2C1 ZINC000112658845 349785115 /nfs/dbraw/zinc/78/51/15/349785115.db2.gz VXOJQAIEAHMDPJ-SNVBAGLBSA-N 0 0 289.364 0.896 10 0 CCAERN CSc1nc(Cl)cc(N2CC[NH2+]C[C@H]2C(=O)[O-])n1 ZINC000095071760 295687768 /nfs/dbraw/zinc/68/77/68/295687768.db2.gz KVPJOOKGBNVTRI-LURJTMIESA-N 0 0 288.760 0.715 10 0 CCAERN C[C@@H]1COC[C@H](C)N1C(=O)CCN1C(=O)CCC1=O ZINC000076362679 231645732 /nfs/dbraw/zinc/64/57/32/231645732.db2.gz VKEDDLXONJFZCJ-AOOOYVTPSA-N 0 0 268.313 0.161 10 0 CCAERN C[C@H](NC(=O)[C@@H]1CNC(=O)C1)c1ccc(-n2ccnn2)cc1 ZINC000153732948 290679309 /nfs/dbraw/zinc/67/93/09/290679309.db2.gz CLLKXWHFDBMHQE-JQWIXIFHSA-N 0 0 299.334 0.581 10 0 CCAERN C[C@H]1CN(C(=O)C2CCC(O)CC2)C[C@@H]1N1CCOCC1 ZINC000194362193 290683519 /nfs/dbraw/zinc/68/35/19/290683519.db2.gz RLLVUGGTUCUPIS-PPWQZUPISA-N 0 0 296.411 0.717 10 0 CCAERN CCOc1cc(N[C@H]2CCC[C@@H]2C(N)=O)ncn1 ZINC000126783148 187261915 /nfs/dbraw/zinc/26/19/15/187261915.db2.gz JFVHHPUCINVCNH-IUCAKERBSA-N 0 0 250.302 0.941 10 0 CCAERN COC(=O)[C@]1(NC(=O)[C@@H]2C[C@@H](C)O[C@@H](C)C2)CCOC1 ZINC000408080239 137834065 /nfs/dbraw/zinc/83/40/65/137834065.db2.gz QDXZXYJXXNBHKO-MIJXAVMKSA-N 0 0 285.340 0.638 10 0 CCAERN O=C(N[C@H]1CCCN(c2cccnn2)C1)C1=COCCO1 ZINC000135270434 136391592 /nfs/dbraw/zinc/39/15/92/136391592.db2.gz NPOFQNJGZZROFF-NSHDSACASA-N 0 0 290.323 0.450 10 0 CCAERN Cc1ccc([C@@H](C)NC(=O)NCCN2C(=O)CNC2=O)o1 ZINC000113377502 349810174 /nfs/dbraw/zinc/81/01/74/349810174.db2.gz URXXNVYIHFLCMY-SECBINFHSA-N 0 0 294.311 0.500 10 0 CCAERN CCNC(=O)N1CCN(C(=O)C[C@@H](O)C(C)C)CC1 ZINC000154544373 290688822 /nfs/dbraw/zinc/68/88/22/290688822.db2.gz VWXFMZMGAGPSAY-LLVKDONJSA-N 0 0 271.361 0.267 10 0 CCAERN CC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000113898362 349819124 /nfs/dbraw/zinc/81/91/24/349819124.db2.gz AWBSXJVNXZKEEJ-SKDRFNHKSA-N 0 0 264.329 0.988 10 0 CCAERN NC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCc3n[nH]cc3C2)C1 ZINC000114407519 349829523 /nfs/dbraw/zinc/82/95/23/349829523.db2.gz LVPXRHKGJFNMCK-MWLCHTKSSA-N 0 0 291.355 0.174 10 0 CCAERN C[C@]1(CNC(=O)NCC(=O)N2CCCC2)CCCC[C@@H]1O ZINC000178495003 231805438 /nfs/dbraw/zinc/80/54/38/231805438.db2.gz XANMXNCESAWTNL-SWLSCSKDSA-N 0 0 297.399 0.849 10 0 CCAERN CCc1nc2n(n1)C[C@H](NC(=O)N(C)CCCOC)CC2 ZINC000114977740 349849265 /nfs/dbraw/zinc/84/92/65/349849265.db2.gz TXTHSFLCGANNNH-LLVKDONJSA-N 0 0 295.387 0.833 10 0 CCAERN CCc1nc2n(n1)C[C@H](NC(=O)c1cc(C)on1)CC2 ZINC000114870456 349844472 /nfs/dbraw/zinc/84/44/72/349844472.db2.gz HXSAXSNOLWXUIN-SECBINFHSA-N 0 0 275.312 0.882 10 0 CCAERN CCc1nc2n(n1)C[C@H](NC(=O)NCCOC)CC2 ZINC000114908012 349845079 /nfs/dbraw/zinc/84/50/79/349845079.db2.gz VDWXNWHOYMXHPX-SECBINFHSA-N 0 0 267.333 0.101 10 0 CCAERN CCc1nc2n(n1)C[C@H](NC(=O)NC(C)C)CC2 ZINC000114908070 349845395 /nfs/dbraw/zinc/84/53/95/349845395.db2.gz ASGAIBNSXZRYLK-SECBINFHSA-N 0 0 251.334 0.863 10 0 CCAERN CCCCOc1nc2c(nc(OC)n2CCCO)c(N)n1 ZINC000115335153 349852438 /nfs/dbraw/zinc/85/24/38/349852438.db2.gz UEOTVYMNUAWSNU-UHFFFAOYSA-N 0 0 295.343 0.978 10 0 CCAERN Cn1cc([C@@H]2CCN(C(=O)c3cnsn3)C2)cn1 ZINC000116111998 349863452 /nfs/dbraw/zinc/86/34/52/349863452.db2.gz OKVYCYIOYYOKQW-MRVPVSSYSA-N 0 0 263.326 0.901 10 0 CCAERN Cn1cc([C@@H]2CCN(C(=O)C3=NN(C)C(=O)CC3)C2)cn1 ZINC000116124579 349864177 /nfs/dbraw/zinc/86/41/77/349864177.db2.gz SWRJKCICHRDWNN-SNVBAGLBSA-N 0 0 289.339 0.344 10 0 CCAERN C[C@H](O)[C@@H]1CCN(C(=O)N[C@@H](C)[C@@H]2CCCO2)C1 ZINC000184862570 231838047 /nfs/dbraw/zinc/83/80/47/231838047.db2.gz KCOVEKNKCIBWPY-YFKTTZPYSA-N 0 0 256.346 0.966 10 0 CCAERN CNC(=O)CCN(C)C(=O)C1C[C@H](C)O[C@@H](C)C1 ZINC000179534386 529855196 /nfs/dbraw/zinc/85/51/96/529855196.db2.gz NNBPNVLYTVKPTR-UWVGGRQHSA-N 0 0 256.346 0.785 10 0 CCAERN CC(C)[C@@H]1C[C@H](NC(=O)[C@H]2CNC(=O)C2)CCO1 ZINC000408089475 137835437 /nfs/dbraw/zinc/83/54/37/137835437.db2.gz JFGGNQXXZBZUQF-MXWKQRLJSA-N 0 0 254.330 0.442 10 0 CCAERN O=C([C@@H]1CCCO1)N1CCC[C@H](Cn2cncn2)C1 ZINC000127032570 187277205 /nfs/dbraw/zinc/27/72/05/187277205.db2.gz LYCDJCCFLGNOKN-RYUDHWBXSA-N 0 0 264.329 0.696 10 0 CCAERN CCOCCN1CCN(C(=O)COCC2CC2)C[C@@H]1C ZINC000117279767 349881994 /nfs/dbraw/zinc/88/19/94/349881994.db2.gz CKJPUVUYEYYUHK-ZDUSSCGKSA-N 0 0 284.400 0.982 10 0 CCAERN CC(=O)N1CC[C@H](C(=O)N2CC[C@@H](C)[C@H](O)C2)C1 ZINC000408093545 137836070 /nfs/dbraw/zinc/83/60/70/137836070.db2.gz CGNWPABZADPTRV-ADEWGFFLSA-N 0 0 254.330 0.084 10 0 CCAERN CCOC(=O)CCS(=O)(=O)NCCn1cc(C)cn1 ZINC000117927909 349893695 /nfs/dbraw/zinc/89/36/95/349893695.db2.gz APNCXJHFGXWWQO-UHFFFAOYSA-N 0 0 289.357 0.064 10 0 CCAERN COc1ccc(C)nc1NC(=O)NC[C@@H]1CN(C)CCO1 ZINC000128168611 187355338 /nfs/dbraw/zinc/35/53/38/187355338.db2.gz DDOBSJQUEWOLNH-LLVKDONJSA-N 0 0 294.355 0.851 10 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GVHVAUXQXBPRCI-UHFFFAOYSA-N 0 0 264.329 0.722 10 0 CCAERN O=C(C1=NNC(=O)CC1)N1CCN(c2nccs2)CC1 ZINC000035149897 172012469 /nfs/dbraw/zinc/01/24/69/172012469.db2.gz IYAOIMNLJWZGGT-UHFFFAOYSA-N 0 0 293.352 0.058 10 0 CCAERN O=C(Cn1c(=O)oc2ccccc21)N1CCC[C@@H](CO)C1 ZINC000035150557 172013457 /nfs/dbraw/zinc/01/34/57/172013457.db2.gz MQMXMUROTQXISX-LLVKDONJSA-N 0 0 290.319 0.825 10 0 CCAERN COC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(C)=O)C(C)C ZINC000035152757 172015952 /nfs/dbraw/zinc/01/59/52/172015952.db2.gz LMTCMBMINQRPNA-NWDGAFQWSA-N 0 0 286.372 0.851 10 0 CCAERN NC(=O)NC(=O)CN[C@H](c1ccccc1)c1ccncc1 ZINC000035161637 172021469 /nfs/dbraw/zinc/02/14/69/172021469.db2.gz RNGLCCNXMURJCX-CQSZACIVSA-N 0 0 284.319 0.956 10 0 CCAERN COC(=O)CN(C)C(=O)CCCn1c(C)csc1=O ZINC000035163254 172024270 /nfs/dbraw/zinc/02/42/70/172024270.db2.gz SRUFVJNWMQXBNS-UHFFFAOYSA-N 0 0 286.353 0.630 10 0 CCAERN O=C(Cn1nnc(-c2ccsc2)n1)N1CCC(O)CC1 ZINC000035187671 172042784 /nfs/dbraw/zinc/04/27/84/172042784.db2.gz FNJHOCDGDVZTEL-UHFFFAOYSA-N 0 0 293.352 0.385 10 0 CCAERN O=C(C[C@H]1CCS(=O)(=O)C1)N1CCCC[C@H]1CO ZINC000035222535 172065430 /nfs/dbraw/zinc/06/54/30/172065430.db2.gz QGINAXZIYYESBI-MNOVXSKESA-N 0 0 275.370 0.185 10 0 CCAERN [NH3+][C@@H](CSCN1C(=O)c2ccccc2C1=O)C(=O)[O-] ZINC000035296156 172107922 /nfs/dbraw/zinc/10/79/22/172107922.db2.gz ZCJZSOLYLCXZFZ-VIFPVBQESA-N 0 0 280.305 0.385 10 0 CCAERN [NH3+][C@@H](CSC[C@@H]1COc2ccccc2O1)C(=O)[O-] ZINC000035296367 172108280 /nfs/dbraw/zinc/10/82/80/172108280.db2.gz OVJBWFNYBDZFKC-IUCAKERBSA-N 0 0 269.322 0.972 10 0 CCAERN [NH3+][C@H](CSC[C@H]1COc2ccccc2O1)C(=O)[O-] ZINC000035296369 172108544 /nfs/dbraw/zinc/10/85/44/172108544.db2.gz OVJBWFNYBDZFKC-RKDXNWHRSA-N 0 0 269.322 0.972 10 0 CCAERN CC(C)Cc1nc(CSC[C@H]([NH3+])C(=O)[O-])no1 ZINC000035296410 172108557 /nfs/dbraw/zinc/10/85/57/172108557.db2.gz WCFBXZVFUBESBC-ZETCQYMHSA-N 0 0 259.331 0.913 10 0 CCAERN CCOC(=O)c1nc(CSC[C@H]([NH3+])C(=O)[O-])cs1 ZINC000035296277 172108653 /nfs/dbraw/zinc/10/86/53/172108653.db2.gz NVRBVLQVDKSWOU-ZETCQYMHSA-N 0 0 290.366 0.965 10 0 CCAERN O=C(N[C@H]1COC[C@H]1n1ccnn1)[C@H]1CCCS1 ZINC000285097307 196196760 /nfs/dbraw/zinc/19/67/60/196196760.db2.gz MAJCGNFYQZFYFK-IVZWLZJFSA-N 0 0 268.342 0.230 10 0 CCAERN NC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2C(=O)[O-])c(F)c1 ZINC000035300954 172115522 /nfs/dbraw/zinc/11/55/22/172115522.db2.gz KUQGXHJPUPBGNV-LLVKDONJSA-N 0 0 266.272 0.974 10 0 CCAERN NC(=O)c1ccc(Sc2nnnn2C2CC2)c(N)c1 ZINC000035332176 172131124 /nfs/dbraw/zinc/13/11/24/172131124.db2.gz HVVOYHCXVNXANF-UHFFFAOYSA-N 0 0 276.325 0.840 10 0 CCAERN CC(C)NS(=O)(=O)c1ccccc1NCCO ZINC000035353869 172144858 /nfs/dbraw/zinc/14/48/58/172144858.db2.gz MWGONRIUMMPVMH-UHFFFAOYSA-N 0 0 258.343 0.778 10 0 CCAERN CS(=O)(=O)c1ccc(F)c(S(=O)(=O)NC2CC2)c1 ZINC000035353986 172144967 /nfs/dbraw/zinc/14/49/67/172144967.db2.gz AHRXNTOENXDJEX-UHFFFAOYSA-N 0 0 293.341 0.670 10 0 CCAERN CCNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1F ZINC000035353992 172145112 /nfs/dbraw/zinc/14/51/12/172145112.db2.gz SXINOVBHUVSDAP-UHFFFAOYSA-N 0 0 281.330 0.527 10 0 CCAERN CC(C)c1cc(NC(=O)C[NH2+]CCC(=O)[O-])on1 ZINC000035386581 172168771 /nfs/dbraw/zinc/16/87/71/172168771.db2.gz IZZNSIRIJQYRJQ-UHFFFAOYSA-N 0 0 255.274 0.801 10 0 CCAERN COc1ccccc1NC(=O)C[NH2+]CCC(=O)[O-] ZINC000035386722 172168978 /nfs/dbraw/zinc/16/89/78/172168978.db2.gz AYKSOHQKHWDBCL-UHFFFAOYSA-N 0 0 252.270 0.698 10 0 CCAERN CCOc1ccc(S(=O)(=O)NN)cc1OCC ZINC000035431216 172200000 /nfs/dbraw/zinc/20/00/00/172200000.db2.gz UTRUJHXSJIKMEQ-UHFFFAOYSA-N 0 0 260.315 0.636 10 0 CCAERN CC[C@H](CO)NS(=O)(=O)c1c(N)ccc(C)c1C ZINC000035599278 172287791 /nfs/dbraw/zinc/28/77/91/172287791.db2.gz VSXJZDXUHGZESC-SNVBAGLBSA-N 0 0 272.370 0.935 10 0 CCAERN CC[C@@H](CO)NS(=O)(=O)c1c(N)ccc(C)c1C ZINC000035599276 172288060 /nfs/dbraw/zinc/28/80/60/172288060.db2.gz VSXJZDXUHGZESC-JTQLQIEISA-N 0 0 272.370 0.935 10 0 CCAERN CC[C@@H](CO)NS(=O)(=O)c1ccc(C)c(N)c1 ZINC000035599355 172288725 /nfs/dbraw/zinc/28/87/25/172288725.db2.gz RWAAPILRPJGCCG-VIFPVBQESA-N 0 0 258.343 0.626 10 0 CCAERN Nc1cccc(CS(=O)(=O)N2CCC[C@H](O)C2)c1 ZINC000035612013 172298180 /nfs/dbraw/zinc/29/81/80/172298180.db2.gz XJOWZPPXLSEIEK-LBPRGKRZSA-N 0 0 270.354 0.555 10 0 CCAERN CNC(=O)COc1c(OC)cc(CO)cc1OC ZINC000035663172 172341703 /nfs/dbraw/zinc/34/17/03/172341703.db2.gz GCBKHMMMTRCGLZ-UHFFFAOYSA-N 0 0 255.270 0.321 10 0 CCAERN C[C@@H](NS(=O)(=O)c1cnc(Cl)nc1)[C@@H]1CCCO1 ZINC000035734885 172386882 /nfs/dbraw/zinc/38/68/82/172386882.db2.gz SNIXVDYAGCFRRW-APPZFPTMSA-N 0 0 291.760 0.976 10 0 CCAERN Cc1coc(C)c1C(=O)N1CCC[C@@](O)(C(N)=O)C1 ZINC000285388786 196269966 /nfs/dbraw/zinc/26/99/66/196269966.db2.gz GFYYFBHISAIAMV-ZDUSSCGKSA-N 0 0 266.297 0.349 10 0 CCAERN CC(C)c1occc1C(=O)N1CCC[C@](O)(C(N)=O)C1 ZINC000285448323 196286549 /nfs/dbraw/zinc/28/65/49/196286549.db2.gz JHMJZRUFUUYFFF-CQSZACIVSA-N 0 0 280.324 0.855 10 0 CCAERN CCc1occc1C(=O)N1CCC[C@@](O)(C(N)=O)C1 ZINC000285463520 196292403 /nfs/dbraw/zinc/29/24/03/196292403.db2.gz KCWXEWXRQYKYHV-ZDUSSCGKSA-N 0 0 266.297 0.294 10 0 CCAERN CC(=O)NCCNC(=O)[C@@H]1CCc2ccccc2N1 ZINC000036746560 172675203 /nfs/dbraw/zinc/67/52/03/172675203.db2.gz OMWZASBTYPEXRI-ZDUSSCGKSA-N 0 0 261.325 0.666 10 0 CCAERN Cc1ccc(O)c(C(=O)N2CCC[C@](O)(C(N)=O)C2)c1 ZINC000285551147 196324961 /nfs/dbraw/zinc/32/49/61/196324961.db2.gz OSFVFTUFEHYWSA-CQSZACIVSA-N 0 0 278.308 0.153 10 0 CCAERN COC[C@@H](C)NS(=O)(=O)c1ccc(N)cc1OC ZINC000037063693 172927299 /nfs/dbraw/zinc/92/72/99/172927299.db2.gz BYQCHQHPFFSVJH-MRVPVSSYSA-N 0 0 274.342 0.591 10 0 CCAERN COC(=O)c1ccccc1CNCCNS(C)(=O)=O ZINC000037241422 173057534 /nfs/dbraw/zinc/05/75/34/173057534.db2.gz FWLNOQDWOLUZKF-UHFFFAOYSA-N 0 0 286.353 0.112 10 0 CCAERN C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCC(N)=S ZINC000037244402 173059552 /nfs/dbraw/zinc/05/95/52/173059552.db2.gz JYIRTRTUVMXGMT-SFYZADRCSA-N 0 0 257.359 0.084 10 0 CCAERN CNC(=O)CN(C)C(=O)c1ccc(Cl)c(N)c1 ZINC000037269976 173081240 /nfs/dbraw/zinc/08/12/40/173081240.db2.gz SXQVWFBRNGFGPI-UHFFFAOYSA-N 0 0 255.705 0.740 10 0 CCAERN O=C(CN1CCS(=O)(=O)CC1)c1cc(F)ccc1F ZINC000037339435 173140512 /nfs/dbraw/zinc/14/05/12/173140512.db2.gz STVSQEUSOCXTEU-UHFFFAOYSA-N 0 0 289.303 0.878 10 0 CCAERN COCCNC(=O)[C@H](C)[NH2+]C1CCC(C(=O)[O-])CC1 ZINC000037561994 173272527 /nfs/dbraw/zinc/27/25/27/173272527.db2.gz NMJFKUGSWMTPIU-WHXUTIOJSA-N 0 0 272.345 0.371 10 0 CCAERN CNC(=O)N1CC[NH+](C[C@@H]2CCC[C@H](O)C2)CC1 ZINC000660093362 414104602 /nfs/dbraw/zinc/10/46/02/414104602.db2.gz SHUMWPVLWIBIFN-NEPJUHHUSA-N 0 0 255.362 0.495 10 0 CCAERN [NH3+][C@@H](CCSCC(=O)N1CCCCC1)C(=O)[O-] ZINC000037735584 173655583 /nfs/dbraw/zinc/65/55/83/173655583.db2.gz UIXVUKODQYMREH-VIFPVBQESA-N 0 0 260.359 0.534 10 0 CCAERN COC(=O)c1ccc(OCCS(C)(=O)=O)c(N)c1 ZINC000037744151 173666053 /nfs/dbraw/zinc/66/60/53/173666053.db2.gz AZZUANPLKABOCD-UHFFFAOYSA-N 0 0 273.310 0.479 10 0 CCAERN CCOC(=O)[C@H]1CSCCN1C(=O)[C@@H]1CSCN1 ZINC000037803791 173742866 /nfs/dbraw/zinc/74/28/66/173742866.db2.gz SSSJGRXYQDQWOW-DTWKUNHWSA-N 0 0 290.410 0.156 10 0 CCAERN CN(C)CC[NH2+][C@H](C(=O)[O-])c1ccc2c(c1)CCO2 ZINC000037964607 173908481 /nfs/dbraw/zinc/90/84/81/173908481.db2.gz KOOBBZPPESKJMF-ZDUSSCGKSA-N 0 0 264.325 0.898 10 0 CCAERN COCCNC(=O)NC(=O)COc1cccc(N)c1 ZINC000038054864 174066361 /nfs/dbraw/zinc/06/63/61/174066361.db2.gz SYJAIWIERNPZLQ-UHFFFAOYSA-N 0 0 267.285 0.120 10 0 CCAERN Nc1cccc(CS(=O)(=O)NC[C@H]2COCCO2)c1 ZINC000038062516 174073940 /nfs/dbraw/zinc/07/39/40/174073940.db2.gz QMNGOFOSXPKEIL-LBPRGKRZSA-N 0 0 286.353 0.104 10 0 CCAERN Nc1cccc(OCCNS(=O)(=O)c2cn[nH]c2)c1 ZINC000038079917 174090152 /nfs/dbraw/zinc/09/01/52/174090152.db2.gz MVEYKJLFEGARHB-UHFFFAOYSA-N 0 0 282.325 0.349 10 0 CCAERN C[C@@H](CNC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-])[NH+](C)C ZINC000038087311 174098846 /nfs/dbraw/zinc/09/88/46/174098846.db2.gz ZGGYCEJYJLNUIJ-DCAQKATOSA-N 0 0 256.346 0.944 10 0 CCAERN CCn1cc(C(=O)OC)c(=O)c2cnc(OC)nc21 ZINC000038643391 174150507 /nfs/dbraw/zinc/15/05/07/174150507.db2.gz BPFBTKGLQOKVBZ-UHFFFAOYSA-N 0 0 263.253 0.607 10 0 CCAERN CN(C)CCOC(=S)N[C@@]1(C)CCS(=O)(=O)C1 ZINC000040168397 174198948 /nfs/dbraw/zinc/19/89/48/174198948.db2.gz YXJARHIXBMGIOZ-JTQLQIEISA-N 0 0 280.415 0.016 10 0 CCAERN CC(C)C(=O)NCc1nc2ccccc2n1CC(N)=O ZINC000040296573 174224611 /nfs/dbraw/zinc/22/46/11/174224611.db2.gz BDDYWVDJKPTDHM-UHFFFAOYSA-N 0 0 274.324 0.794 10 0 CCAERN C[C@@H](NC(=O)c1ccc2c(c1)OCO2)C(N)=S ZINC000040351609 174244959 /nfs/dbraw/zinc/24/49/59/174244959.db2.gz NHEUAXPSFSZUDA-ZCFIWIBFSA-N 0 0 252.295 0.820 10 0 CCAERN O=S1(=O)N=C(N2CCC(CO)CC2)c2ccccc21 ZINC000040444373 174264355 /nfs/dbraw/zinc/26/43/55/174264355.db2.gz JZOSGEXTXITZTR-UHFFFAOYSA-N 0 0 280.349 0.840 10 0 CCAERN CC(=O)NCCCNS(=O)(=O)Cc1ccc(C)cc1 ZINC000040633893 174359871 /nfs/dbraw/zinc/35/98/71/174359871.db2.gz MDBDNHKMJMLWEI-UHFFFAOYSA-N 0 0 284.381 0.941 10 0 CCAERN COCCCNc1ncnc(NCCOC)c1N ZINC000040757203 174396226 /nfs/dbraw/zinc/39/62/26/174396226.db2.gz QCAFOKYMFODYAH-UHFFFAOYSA-N 0 0 255.322 0.566 10 0 CCAERN CC(C)C[C@H](CO)NC(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000040793123 174406794 /nfs/dbraw/zinc/40/67/94/174406794.db2.gz HZLBBRAZAQGENY-GHMZBOCLSA-N 0 0 282.340 0.921 10 0 CCAERN CC[N@@H+]1CCC[C@@H]1CN(C)[C@@H]1CCN(CC(=O)[O-])C1=O ZINC000662207327 414696674 /nfs/dbraw/zinc/69/66/74/414696674.db2.gz XCUBJADXSBONNU-VXGBXAGGSA-N 0 0 283.372 0.088 10 0 CCAERN C[C@H]([NH2+][C@@H]1CCN(CC(=O)[O-])C1=O)C1CCCC1 ZINC000662212744 414697232 /nfs/dbraw/zinc/69/72/32/414697232.db2.gz YHOBNOWERKYDIM-GXSJLCMTSA-N 0 0 254.330 0.840 10 0 CCAERN Cc1ccccc1S(=O)(=O)N(C)CC(N)=S ZINC000041342566 174526140 /nfs/dbraw/zinc/52/61/40/174526140.db2.gz DZQSTSDHKQILGT-UHFFFAOYSA-N 0 0 258.368 0.902 10 0 CCAERN Cc1cccc(S(=O)(=O)N(C)CC(N)=S)c1 ZINC000041342562 174526291 /nfs/dbraw/zinc/52/62/91/174526291.db2.gz XZAKHYXQAYMIGN-UHFFFAOYSA-N 0 0 258.368 0.902 10 0 CCAERN NC(=O)C[C@H](N)C(=O)NCc1ccc(Cl)c(Cl)c1 ZINC000662873687 414857457 /nfs/dbraw/zinc/85/74/57/414857457.db2.gz PCSMKHHHWPFODC-VIFPVBQESA-N 0 0 290.150 0.812 10 0 CCAERN CCC(CC)N(CCO)C(=O)[C@@H]1CSC(=O)N1 ZINC000042509355 174763816 /nfs/dbraw/zinc/76/38/16/174763816.db2.gz IZMLRUSMBXLGQT-VIFPVBQESA-N 0 0 260.359 0.821 10 0 CCAERN COC[C@@H](O)CN(C)c1nc2ccccn2c1CO ZINC000042511185 174764374 /nfs/dbraw/zinc/76/43/74/174764374.db2.gz KMLMPWZWDXEVPO-JTQLQIEISA-N 0 0 265.313 0.270 10 0 CCAERN CN(C)C(=O)COc1cc2c(cc1CO)OCO2 ZINC000042876949 174900591 /nfs/dbraw/zinc/90/05/91/174900591.db2.gz UKMLCIAVQOJQPH-UHFFFAOYSA-N 0 0 253.254 0.375 10 0 CCAERN O=C(CN1C(=O)CNC1=O)c1ccc2c(c1)CCC2 ZINC000047821228 175414104 /nfs/dbraw/zinc/41/41/04/175414104.db2.gz NQYMNDQTDXQNFR-UHFFFAOYSA-N 0 0 258.277 0.910 10 0 CCAERN COC(=O)C[C@H]1C(=O)NCCN1C(=O)C[C@H](C)C(C)C ZINC000067906004 175801048 /nfs/dbraw/zinc/80/10/48/175801048.db2.gz RXLRIGHJLOFLDU-QWRGUYRKSA-N 0 0 284.356 0.559 10 0 CCAERN C[NH2+][C@H](COc1cc(OC)cc(OC)c1)C(=O)[O-] ZINC000070141988 175874039 /nfs/dbraw/zinc/87/40/39/175874039.db2.gz LMRMYGKIKGQMHQ-LLVKDONJSA-N 0 0 255.270 0.755 10 0 CCAERN Cc1c(C)c(=O)n(Cc2ccc(NN)[nH+]c2)[n-]c1=O ZINC000071170644 176051363 /nfs/dbraw/zinc/05/13/63/176051363.db2.gz PHDWRBCOCWUQTA-UHFFFAOYSA-N 0 0 261.285 0.295 10 0 CCAERN CCOC(=O)[C@H](C)N(CCOC)CCC(N)=S ZINC000071225520 176089013 /nfs/dbraw/zinc/08/90/13/176089013.db2.gz GHPUYKZNGIGDBL-VIFPVBQESA-N 0 0 262.375 0.563 10 0 CCAERN Cc1ccc(O[C@@H](C)C(=O)NC(N)=O)c(C=O)c1 ZINC000071408865 176156787 /nfs/dbraw/zinc/15/67/87/176156787.db2.gz FZNCLIOZKZTKGM-QMMMGPOBSA-N 0 0 250.254 0.770 10 0 CCAERN CNCc1nnn(Cc2cc(OC)ccc2OC)n1 ZINC000076361294 177001956 /nfs/dbraw/zinc/00/19/56/177001956.db2.gz FUNBDKWYKXXWIS-UHFFFAOYSA-N 0 0 263.301 0.458 10 0 CCAERN CC(C)(C)c1cc(CN2CCOC[C@@H](O)C2)[nH]n1 ZINC000077356510 177256557 /nfs/dbraw/zinc/25/65/57/177256557.db2.gz ZSXDRIBIBFSOND-NSHDSACASA-N 0 0 253.346 0.900 10 0 CCAERN C[C@@H]1C[C@@H]1NC(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000078321577 177332872 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0.794 10 0 CCAERN C[C@H]([NH2+][C@H]1CCCCN(CC(=O)[O-])C1=O)[C@H]1CCCO1 ZINC000643875875 390590910 /nfs/dbraw/zinc/59/09/10/390590910.db2.gz DBXONALRJJWFOF-SDDRHHMPSA-N 0 0 284.356 0.609 10 0 CCAERN NC(=O)[C@@]1(O)CCCN(C(=O)[C@@H]2CCCC23CC3)C1 ZINC000529342413 390813500 /nfs/dbraw/zinc/81/35/00/390813500.db2.gz MKLUGOKGVGYINF-IINYFYTJSA-N 0 0 266.341 0.406 10 0 CCAERN COc1cncc(OC(F)(F)F)c1S(N)(=O)=O ZINC000575375326 390837991 /nfs/dbraw/zinc/83/79/91/390837991.db2.gz YJNPRWUDGDWZKE-UHFFFAOYSA-N 0 0 272.204 0.636 10 0 CCAERN Nc1ncc(Br)cc1N1CC[NH2+]CC1 ZINC000575623934 390844441 /nfs/dbraw/zinc/84/44/41/390844441.db2.gz BYYVMVYCARVHND-UHFFFAOYSA-N 0 0 257.135 0.836 10 0 CCAERN CS(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2CCC[C@H]2C1 ZINC000152619982 533355462 /nfs/dbraw/zinc/35/54/62/533355462.db2.gz WFRGDUIVRKGTRM-QWRGUYRKSA-N 0 0 295.426 0.483 10 0 CCAERN COCc1cccc([C@H]2NC(=O)[C@@H]3COCCN32)c1 ZINC000180270572 285500617 /nfs/dbraw/zinc/50/06/17/285500617.db2.gz RXZFSWZNWURXHT-STQMWFEESA-N 0 0 262.309 0.662 10 0 CCAERN C[C@@H]1CCO[C@@H]1C(=O)N1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000529960712 285519007 /nfs/dbraw/zinc/51/90/07/285519007.db2.gz VYSQURHVXZQBDI-WVWOOGAGSA-N 0 0 271.357 0.251 10 0 CCAERN CCOc1nc(N2CCC(C(N)=O)CC2)ccc1N ZINC000037066516 134831015 /nfs/dbraw/zinc/83/10/15/134831015.db2.gz GZGLXQCNUZDADT-UHFFFAOYSA-N 0 0 264.329 0.764 10 0 CCAERN COc1nc(N2C[C@@H](C(N)=O)CC[C@@H]2C)ccc1N ZINC000042427664 134892811 /nfs/dbraw/zinc/89/28/11/134892811.db2.gz DUKDNRWQRUKNDE-IUCAKERBSA-N 0 0 264.329 0.763 10 0 CCAERN OC[C@@H]1CN(c2ncnc3sccc32)CCO1 ZINC000094267343 135085130 /nfs/dbraw/zinc/08/51/30/135085130.db2.gz AADVXPGBQWCANK-QMMMGPOBSA-N 0 0 251.311 0.889 10 0 CCAERN COC(C)(C)C(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000173867283 292045993 /nfs/dbraw/zinc/04/59/93/292045993.db2.gz BRNYEDWJTXLWEI-VXGBXAGGSA-N 0 0 270.373 0.591 10 0 CCAERN Cn1nnnc1SCC[NH2+]Cc1ccc(C(=O)[O-])cc1 ZINC000010475062 397373129 /nfs/dbraw/zinc/37/31/29/397373129.db2.gz YJVXUOFPHAWJTB-UHFFFAOYSA-N 0 0 293.352 0.790 10 0 CCAERN COC(=O)[C@@H]1CCCCN1C(=O)c1cc(C)n(C)n1 ZINC000259662603 397440606 /nfs/dbraw/zinc/44/06/06/397440606.db2.gz NRIXZLFRWHSYSI-NSHDSACASA-N 0 0 265.313 0.896 10 0 CCAERN CC(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H]1CCC(=O)N1C ZINC000356565531 144015136 /nfs/dbraw/zinc/01/51/36/144015136.db2.gz BNVSRSYGBYUYCZ-WZRBSPASSA-N 0 0 268.357 0.785 10 0 CCAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000357302968 144080232 /nfs/dbraw/zinc/08/02/32/144080232.db2.gz JQPGBGOSNUJVCH-FPQZTECRSA-N 0 0 268.357 0.473 10 0 CCAERN CO[C@]1(C)C[C@H](NC(=O)[C@@H]2C[C@H](O)CN2C(C)=O)C1(C)C ZINC000357344008 144083320 /nfs/dbraw/zinc/08/33/20/144083320.db2.gz GAGATOROEOCXSE-JUFZMCDQSA-N 0 0 298.383 0.288 10 0 CCAERN CO[C@@H]1C[C@@H](CO)N(C(=O)[C@@H](C)N2CCSCC2)C1 ZINC000375503795 397480311 /nfs/dbraw/zinc/48/03/11/397480311.db2.gz YYGMAUUGKBCCOW-GRYCIOLGSA-N 0 0 288.413 0.032 10 0 CCAERN C[C@H](CO)[C@H](C)NC(=O)[C@@H]1OC[C@H]2COCC[C@H]21 ZINC000368161409 144209860 /nfs/dbraw/zinc/20/98/60/144209860.db2.gz SCRFXTPTQUWPNV-IYKVGLELSA-N 0 0 257.330 0.171 10 0 CCAERN COc1ccccc1/C=C/C(=O)N1C[C@H](O)C[C@H]1CO ZINC000370322053 144297655 /nfs/dbraw/zinc/29/76/55/144297655.db2.gz CGCFYXOWYDZEEU-VFZNBBLXSA-N 0 0 277.320 0.663 10 0 CCAERN O=S(=O)(c1cncc(Cl)c1)N1C[C@@H](F)C[C@@H]1CO ZINC000372429763 144367228 /nfs/dbraw/zinc/36/72/28/144367228.db2.gz XTEUWNYNVVGWJV-DTWKUNHWSA-N 0 0 294.735 0.828 10 0 CCAERN Nc1ncnc(N2CC(n3cccn3)C2)c1Cl ZINC000372968752 144387690 /nfs/dbraw/zinc/38/76/90/144387690.db2.gz UANJMUOJWMIREM-UHFFFAOYSA-N 0 0 250.693 0.970 10 0 CCAERN Ic1nccn1C[C@H]1COCCO1 ZINC000575454192 397580836 /nfs/dbraw/zinc/58/08/36/397580836.db2.gz NXZIXJXXHVSOAB-ZETCQYMHSA-N 0 0 294.092 0.903 10 0 CCAERN Cc1cc2c(cc1N(C)S(=O)(=O)N(C)C)CC(=O)N2C ZINC000584647992 397583534 /nfs/dbraw/zinc/58/35/34/397583534.db2.gz OSXJQKSTZJTWSY-UHFFFAOYSA-N 0 0 297.380 0.757 10 0 CCAERN Cc1cc(NS(N)(=O)=O)cc2c1N(C)C(=O)C2(C)C ZINC000584647977 397583631 /nfs/dbraw/zinc/58/36/31/397583631.db2.gz NFPHPTDWJBRCHG-UHFFFAOYSA-N 0 0 283.353 0.864 10 0 CCAERN CCOCCC(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000408248187 286035550 /nfs/dbraw/zinc/03/55/50/286035550.db2.gz SVHMUFWRXVSVAV-CYBMUJFWSA-N 0 0 254.330 0.542 10 0 CCAERN NC(=O)[C@@H]1CCN1C(=O)c1ccc(Br)o1 ZINC000757145438 581679852 /nfs/dbraw/zinc/67/98/52/581679852.db2.gz LOMXJNBWLVOFFS-YFKPBYRVSA-N 0 0 273.086 0.742 10 0 CCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)c1ccc(O)cc1 ZINC000042439404 296637032 /nfs/dbraw/zinc/63/70/32/296637032.db2.gz RXGUOROEAXBEEE-NXEZZACHSA-N 0 0 298.364 0.667 10 0 CCAERN C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)[C@H]1CCCCC(=O)N1 ZINC000248680163 296635993 /nfs/dbraw/zinc/63/59/93/296635993.db2.gz NPGFNLWGIMMIDZ-GMTAPVOTSA-N 0 0 281.356 0.158 10 0 CCAERN COc1cc(C(=O)N2C[C@@H]3CC[C@H](O)[C@H]3C2)on1 ZINC000408230740 286199308 /nfs/dbraw/zinc/19/93/08/286199308.db2.gz DAYWFZVOPSPXOM-CIUDSAMLSA-N 0 0 252.270 0.526 10 0 CCAERN CCO[C@@H]1C[C@H](NC(=O)C2(O)CCC2)C12CCOCC2 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CC[C@@H]1CC[C@@H](C(=O)N2CCO[C@H](C)[C@H]2C(N)=O)O1 ZINC000408066135 287093785 /nfs/dbraw/zinc/09/37/85/287093785.db2.gz UZAWPSLQHLIDQY-ZNSHCXBVSA-N 0 0 270.329 0.045 10 0 CCAERN C[C@@H]1CN(C(=O)[C@@H]2CCCO[C@@H]2C)C[C@@H](CO)O1 ZINC000190845165 296870381 /nfs/dbraw/zinc/87/03/81/296870381.db2.gz NAILVFYWYPDTDM-WISYIIOYSA-N 0 0 257.330 0.410 10 0 CCAERN CCn1ncc(NC(=O)[C@H]2CCCO2)c1C(N)=O ZINC000002777855 169829252 /nfs/dbraw/zinc/82/92/52/169829252.db2.gz AJGWIIUCVGVJHQ-MRVPVSSYSA-N 0 0 252.274 0.119 10 0 CCAERN Cn1nccc1CCC(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000284239479 196010962 /nfs/dbraw/zinc/01/09/62/196010962.db2.gz WHTMWIRWFUIJKE-KBPBESRZSA-N 0 0 292.383 0.284 10 0 CCAERN CN1C(=O)C[C@H](NC(=O)OCc2ccccc2)C1=O ZINC000005125122 170068220 /nfs/dbraw/zinc/06/82/20/170068220.db2.gz DYZILRGWMZBOJF-JTQLQIEISA-N 0 0 262.265 0.670 10 0 CCAERN CN(C)C(=O)CN1C(=O)CC2(CCCC2)CC1=O ZINC000006419424 170199812 /nfs/dbraw/zinc/19/98/12/170199812.db2.gz CJCFYPHTEYKYRT-UHFFFAOYSA-N 0 0 252.314 0.784 10 0 CCAERN COCCOC(=O)CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000008568623 170340570 /nfs/dbraw/zinc/34/05/70/170340570.db2.gz WAMRIVSEHRWEQN-UHFFFAOYSA-N 0 0 294.307 0.694 10 0 CCAERN Cc1cccc(C(=O)NC(=S)NC[C@@H](C)O)c1 ZINC000009270780 170369749 /nfs/dbraw/zinc/36/97/49/170369749.db2.gz IPKWDXBPDOILQG-SECBINFHSA-N 0 0 252.339 0.980 10 0 CCAERN C[C@]1(NC(=O)NC[C@H]2CCCO2)CCS(=O)(=O)C1 ZINC000012176037 170472151 /nfs/dbraw/zinc/47/21/51/170472151.db2.gz AJDNCCLQZOXJMN-KOLCDFICSA-N 0 0 276.358 0.042 10 0 CCAERN CN(CC(=O)N(C)C1CCCCC1)C(=O)[C@@H]1CNC(=O)C1 ZINC000110360025 411701239 /nfs/dbraw/zinc/70/12/39/411701239.db2.gz XVQNSHPVTVNILL-NSHDSACASA-N 0 0 295.383 0.372 10 0 CCAERN CC(C)[C@@H](CNC(=O)[C@]1(C)CCCC[NH2+]1)C(=O)[O-] ZINC000133499360 411729415 /nfs/dbraw/zinc/72/94/15/411729415.db2.gz RCVSANKUGCXYLT-MFKMUULPSA-N 0 0 256.346 0.992 10 0 CCAERN NC(=O)[C@@]1(O)CCCN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC000402940628 411785046 /nfs/dbraw/zinc/78/50/46/411785046.db2.gz 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RIATWYIQKGGQDW-QMMMGPOBSA-N 0 0 258.347 0.521 10 0 CCAERN CS(=O)(=O)N1CCc2ccccc2[C@H]1c1c[nH]nc1N ZINC000616680748 411842057 /nfs/dbraw/zinc/84/20/57/411842057.db2.gz POPHUWZYSFVYJN-LBPRGKRZSA-N 0 0 292.364 0.899 10 0 CCAERN CCc1occc1C(=O)N1CC[C@@](O)(c2cn[nH]n2)C1 ZINC000284486914 196067751 /nfs/dbraw/zinc/06/77/51/196067751.db2.gz BHZOQXPECURNDC-ZDUSSCGKSA-N 0 0 276.296 0.694 10 0 CCAERN CC[C@H](C)NC(=O)CN1C(=O)c2cccc(N)c2C1=O ZINC000019396535 170783119 /nfs/dbraw/zinc/78/31/19/170783119.db2.gz RVCHNDOEWXRWEU-QMMMGPOBSA-N 0 0 275.308 0.780 10 0 CCAERN NC(=O)c1ccc(CSC[C@@H]([NH3+])C(=O)[O-])c(F)c1 ZINC000019481977 170810372 /nfs/dbraw/zinc/81/03/72/170810372.db2.gz FIUVQWGJKYOLJG-SECBINFHSA-N 0 0 272.301 0.570 10 0 CCAERN O=C1c2ccccc2N(CCN2CCOCC2)C1=O ZINC000019966890 170948565 /nfs/dbraw/zinc/94/85/65/170948565.db2.gz DQDUDQFRINNFTO-UHFFFAOYSA-N 0 0 260.293 0.548 10 0 CCAERN O=C1C(=O)N(CCO)c2cc(Br)ccc21 ZINC000019967135 170949170 /nfs/dbraw/zinc/94/91/70/170949170.db2.gz 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ZINC000190232178 136930414 /nfs/dbraw/zinc/93/04/14/136930414.db2.gz OISUXUXGRDUEIQ-ZDUSSCGKSA-N 0 0 299.415 0.905 10 0 CCAERN CO[C@H](C)[C@H](C)NC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000190658361 136931839 /nfs/dbraw/zinc/93/18/39/136931839.db2.gz MBFFGCMOCRNSCQ-IGQOVBAYSA-N 0 0 299.415 0.772 10 0 CCAERN CC[C@@H]1OCCC[C@H]1C(=O)N1CCO[C@@H](CNC(C)=O)C1 ZINC000408274963 137858755 /nfs/dbraw/zinc/85/87/55/137858755.db2.gz QVTYXQVPHLPRHV-MJBXVCDLSA-N 0 0 298.383 0.555 10 0 CCAERN COCCCN(C)C(=O)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000190769621 136933586 /nfs/dbraw/zinc/93/35/86/136933586.db2.gz MJTXVFXHUOKZPS-STQMWFEESA-N 0 0 286.372 0.955 10 0 CCAERN CN(C[C@@H]1CCC[C@@H]1O)C(=O)NCC(=O)NCC1CC1 ZINC000183781287 136901405 /nfs/dbraw/zinc/90/14/05/136901405.db2.gz JWYJUHFHJKUSCJ-RYUDHWBXSA-N 0 0 283.372 0.315 10 0 CCAERN CC[C@@H](C)[C@H](O)CNC(=O)NCC(=O)NCC1CC1 ZINC000183778782 136901414 /nfs/dbraw/zinc/90/14/14/136901414.db2.gz ZRYJAGFWJACUFW-MWLCHTKSSA-N 0 0 271.361 0.219 10 0 CCAERN COc1ncnc2c1CN(S(=O)(=O)c1ccco1)CC2 ZINC000188752940 136920894 /nfs/dbraw/zinc/92/08/94/136920894.db2.gz DNXRDGMIKXKJCL-UHFFFAOYSA-N 0 0 295.320 0.825 10 0 CCAERN CC[C@H](C)[C@@H](NC(N)=O)C(=O)NCCC[C@@H](C)O ZINC000229418989 136959006 /nfs/dbraw/zinc/95/90/06/136959006.db2.gz LUKQXYWAAAZOLW-IVZWLZJFSA-N 0 0 259.350 0.347 10 0 CCAERN C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2CO)C1 ZINC000408282672 137860336 /nfs/dbraw/zinc/86/03/36/137860336.db2.gz ZRTUQERFZNXPCC-AGIUHOORSA-N 0 0 282.384 0.912 10 0 CCAERN CC(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1COCCN1 ZINC000262657975 137049790 /nfs/dbraw/zinc/04/97/90/137049790.db2.gz ZXRQFSTUPRIWQR-SRVKXCTJSA-N 0 0 256.346 0.152 10 0 CCAERN CC(C)Cn1ccnc1CNC(=O)[C@@H]1COCCN1 ZINC000262678877 137050108 /nfs/dbraw/zinc/05/01/08/137050108.db2.gz VHYLYCWHLAEQMO-NSHDSACASA-N 0 0 266.345 0.144 10 0 CCAERN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N[C@]1(C)CCOC1 ZINC000300103670 137069579 /nfs/dbraw/zinc/06/95/79/137069579.db2.gz GDYIFOCYFCNICG-CKYFFXLPSA-N 0 0 291.369 0.427 10 0 CCAERN C[C@@]1(CO)CCC[C@H]1NS(=O)(=O)N1CCCCC1 ZINC000305123297 137070064 /nfs/dbraw/zinc/07/00/64/137070064.db2.gz NRWIYRJUZNTYSF-NEPJUHHUSA-N 0 0 276.402 0.858 10 0 CCAERN CC(=O)N1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2CO)C1 ZINC000305723339 137070642 /nfs/dbraw/zinc/07/06/42/137070642.db2.gz WVXFTPQGGLIPAR-RWMBFGLXSA-N 0 0 268.357 0.522 10 0 CCAERN CO[C@H]1C[C@H](CO)N(C(=O)Cc2ccsc2)C1 ZINC000310135591 137071360 /nfs/dbraw/zinc/07/13/60/137071360.db2.gz LWZNSXJGGWWPEZ-MNOVXSKESA-N 0 0 255.339 0.899 10 0 CCAERN CO[C@@H]1C[C@@H](CO)N(C(=O)COCC(F)(F)F)C1 ZINC000310915356 137073234 /nfs/dbraw/zinc/07/32/34/137073234.db2.gz ZCUHACOWTJNLBP-JGVFFNPUSA-N 0 0 271.235 0.174 10 0 CCAERN NC(=O)[C@]1(O)CCCN(c2ncc(Cl)cc2F)C1 ZINC000311210360 137074240 /nfs/dbraw/zinc/07/42/40/137074240.db2.gz OSCYFLSGGAUGLY-NSHDSACASA-N 0 0 273.695 0.691 10 0 CCAERN NC(=O)[C@]1(O)CCCN(C(=O)C(C2CC2)C2CC2)C1 ZINC000311611383 137075280 /nfs/dbraw/zinc/07/52/80/137075280.db2.gz JIIONLLQTZYKGG-AWEZNQCLSA-N 0 0 266.341 0.261 10 0 CCAERN Cc1nn(C)c(=O)c(C(=O)Nc2ccc(=O)[nH]c2)c1C ZINC000312912494 137077849 /nfs/dbraw/zinc/07/78/49/137077849.db2.gz KZCWROADKWGWRK-UHFFFAOYSA-N 0 0 274.280 0.750 10 0 CCAERN C[C@@H]1CN(C(=O)N[C@@H]2CCO[C@H]2C)C[C@@H]1N1CCOCC1 ZINC000332771146 137080557 /nfs/dbraw/zinc/08/05/57/137080557.db2.gz FRIWUXHHWLSIHE-RQJABVFESA-N 0 0 297.399 0.526 10 0 CCAERN O=C(N[C@@H]1CCCC[C@@H]1CO)[C@@H]1CCc2n[nH]nc2C1 ZINC000332749221 137080708 /nfs/dbraw/zinc/08/07/08/137080708.db2.gz UADPWEFBHBTBBV-GMTAPVOTSA-N 0 0 278.356 0.577 10 0 CCAERN O=C(N[C@@H]1CCO[C@@H]1C1CC1)N1CCC[C@H](CO)C1 ZINC000332752078 137080924 /nfs/dbraw/zinc/08/09/24/137080924.db2.gz CNBGGTLCBULKCJ-CYZMBNFOSA-N 0 0 268.357 0.968 10 0 CCAERN C[C@H](Cn1cncn1)NC(=O)N[C@H]1CCO[C@H]1C1CC1 ZINC000332759934 137081006 /nfs/dbraw/zinc/08/10/06/137081006.db2.gz WGSOWEJXJHYMAJ-USWWRNFRSA-N 0 0 279.344 0.533 10 0 CCAERN O=C(N[C@H]1CCO[C@H]1C1CC1)N1CCC[C@@H]1CO ZINC000332758124 137081008 /nfs/dbraw/zinc/08/10/08/137081008.db2.gz RMRAKYOPZYPMSU-WOPDTQHZSA-N 0 0 254.330 0.720 10 0 CCAERN O=C(N[C@H]1CCC(=O)NC1)[C@@H]1COCCN1C1CCCC1 ZINC000332822769 137081242 /nfs/dbraw/zinc/08/12/42/137081242.db2.gz DCLSMWDSXAMZFW-AAEUAGOBSA-N 0 0 295.383 0.025 10 0 CCAERN O=C(N[C@@H]1CCCNC1=O)[C@@H]1CCN1Cc1ccccc1 ZINC000332923684 137082247 /nfs/dbraw/zinc/08/22/47/137082247.db2.gz UBEHFRKZDMPMHO-KGLIPLIRSA-N 0 0 287.363 0.656 10 0 CCAERN CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1CC(=O)N(C)C1 ZINC000408300085 137862693 /nfs/dbraw/zinc/86/26/93/137862693.db2.gz XOUSVPSSWXINBD-WZRBSPASSA-N 0 0 283.372 0.577 10 0 CCAERN NC(=O)CC1CCN(S(=O)(=O)CC(F)(F)F)CC1 ZINC000408310307 137864355 /nfs/dbraw/zinc/86/43/55/137864355.db2.gz RGRUAXRIZJBMIT-UHFFFAOYSA-N 0 0 288.291 0.466 10 0 CCAERN CO[C@H]1C[C@H](CO)N(S(=O)(=O)CCc2ccccc2)C1 ZINC000343184775 137119715 /nfs/dbraw/zinc/11/97/15/137119715.db2.gz YZPZOUVTZSTUBV-KGLIPLIRSA-N 0 0 299.392 0.641 10 0 CCAERN COC[C@@H]1C[C@@H](OC)CN1c1ncc(C(=O)OC)cn1 ZINC000343712419 137151704 /nfs/dbraw/zinc/15/17/04/137151704.db2.gz ODWZDQPKCYXTCR-WDEREUQCSA-N 0 0 281.312 0.503 10 0 CCAERN CC(=O)N1C[C@H](COCC(=O)N(C)C)OC(C)(C)C1 ZINC000343749291 137154213 /nfs/dbraw/zinc/15/42/13/137154213.db2.gz BLGIMOUBXMSYBJ-LLVKDONJSA-N 0 0 272.345 0.117 10 0 CCAERN COCc1nsc(N2C[C@H](OC)C[C@@H]2COC)n1 ZINC000343791411 137157508 /nfs/dbraw/zinc/15/75/08/137157508.db2.gz UAQGTAFQZMPEQO-RKDXNWHRSA-N 0 0 273.358 0.925 10 0 CCAERN CC(C)[C@](C)(O)C(=O)N1CCc2c(ncn(C)c2=O)C1 ZINC000408324573 137866441 /nfs/dbraw/zinc/86/64/41/137866441.db2.gz NXPMYILNENRMPD-AWEZNQCLSA-N 0 0 279.340 0.072 10 0 CCAERN CC(C)[C@H](NC(=O)CNC(=O)/C=C/c1ccco1)C(N)=O ZINC000002560895 347968986 /nfs/dbraw/zinc/96/89/86/347968986.db2.gz WKUJNPGXTNWFHD-GFUIURDCSA-N 0 0 293.323 0.035 10 0 CCAERN CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)[O-] ZINC000002561061 347969022 /nfs/dbraw/zinc/96/90/22/347969022.db2.gz TUYOFUHICRWDGA-CIUDSAMLSA-N 0 0 262.375 0.682 10 0 endogenous,in-man CCAERN COC(=O)[C@H](O)[C@@H]1OC(C)(C)O[C@H]1[C@H]1COC(C)(C)O1 ZINC000253475968 352536232 /nfs/dbraw/zinc/53/62/32/352536232.db2.gz CHXJGIPSUNBIQE-IMSYWVGJSA-N 0 0 290.312 0.192 10 0 biogenic CCAERN Cc1cc(C)n(CC(=O)N[C@H]2CCCOC2)c(=O)n1 ZINC000019572389 348066062 /nfs/dbraw/zinc/06/60/62/348066062.db2.gz PWBXRKIWKSFDHN-NSHDSACASA-N 0 0 265.313 0.155 10 0 CCAERN C[C@@H](O)[C@@H](C)N1CCN(c2cccccc2=O)CC1 ZINC000027992562 348103973 /nfs/dbraw/zinc/10/39/73/348103973.db2.gz JZQGUPRFERNDGR-CHWSQXEVSA-N 0 0 262.353 0.938 10 0 CCAERN COc1ccc(C(=O)n2cc(F)c(=O)[nH]c2=O)cc1 ZINC000034549960 348150526 /nfs/dbraw/zinc/15/05/26/348150526.db2.gz UOHNZWOCXMEJTP-UHFFFAOYSA-N 0 0 264.212 0.785 10 0 CCAERN CC(=O)NC1=C(N)C(=O)c2cc(C)c(C)cc2C1=O ZINC000034766294 348151006 /nfs/dbraw/zinc/15/10/06/348151006.db2.gz YAGKKCKXBBFDTE-UHFFFAOYSA-N 0 0 258.277 0.989 10 0 CCAERN C[C@@H](N[C@H]1CCS(=O)(=O)C1)C(=O)NCc1ccco1 ZINC000034937811 348152709 /nfs/dbraw/zinc/15/27/09/348152709.db2.gz YRSYEDSFECHWOX-ZJUUUORDSA-N 0 0 286.353 0.061 10 0 CCAERN C[C@@H](NC(=O)c1ccco1)C(=O)NC(C)(C)CO ZINC000035103231 348155878 /nfs/dbraw/zinc/15/58/78/348155878.db2.gz YRUGHLPSQZAMJF-MRVPVSSYSA-N 0 0 254.286 0.285 10 0 CCAERN NC(=O)C(=O)Nc1ncc(Br)s1 ZINC000032105306 348130541 /nfs/dbraw/zinc/13/05/41/348130541.db2.gz ZORWZGCZCJRADC-UHFFFAOYSA-N 0 0 250.077 0.329 10 0 CCAERN Cc1ccc([C@H](C)NCc2cc(=O)n(C)c(=O)n2C)o1 ZINC000037979553 348220589 /nfs/dbraw/zinc/22/05/89/348220589.db2.gz WQBHIMMWEYAWPU-JTQLQIEISA-N 0 0 277.324 0.836 10 0 CCAERN CNC(=O)CNc1ncc(Br)cc1N ZINC000040713703 348241019 /nfs/dbraw/zinc/24/10/19/348241019.db2.gz LPFCVDWOWBUXTN-UHFFFAOYSA-N 0 0 259.107 0.584 10 0 CCAERN OC[C@H]1O[C@@H](n2ccc3c2ncnc3Cl)[C@@H](F)[C@@H]1O ZINC000038879639 348228405 /nfs/dbraw/zinc/22/84/05/348228405.db2.gz XFKDBYKOIYHLSC-FBSDJGSXSA-N 0 0 287.678 0.673 10 0 CCAERN O=C(Nc1cccnc1OCC(F)F)[C@@H]1CNC(=O)C1 ZINC000128823787 187392076 /nfs/dbraw/zinc/39/20/76/187392076.db2.gz BFICWRYOVZZJBU-ZETCQYMHSA-N 0 0 285.250 0.800 10 0 CCAERN OC[C@@H]1C[C@H](F)CN1Cc1nnn(CC(F)(F)F)n1 ZINC000346387140 137282886 /nfs/dbraw/zinc/28/28/86/137282886.db2.gz XGVWJHHFNHXRLW-BQBZGAKWSA-N 0 0 283.229 0.140 10 0 CCAERN C[C@@H]1C(=O)NCCN1CC(=O)c1cc(F)ccc1F ZINC000104125387 185900060 /nfs/dbraw/zinc/90/00/60/185900060.db2.gz WTXIXLNOXTYIQQ-MRVPVSSYSA-N 0 0 268.263 0.968 10 0 CCAERN CC(=O)N1CC[C@H](C(=O)N2C[C@@H](C)[S@](=O)[C@@H](C)C2)C1 ZINC000408342757 137868451 /nfs/dbraw/zinc/86/84/51/137868451.db2.gz LFFDOZYCYOROGP-MMADJIIWSA-N 0 0 286.397 0.223 10 0 CCAERN O=C([C@@H]1CCS(=O)(=O)C1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000046493744 348358714 /nfs/dbraw/zinc/35/87/14/348358714.db2.gz UWMINEILKUQJOD-GRYCIOLGSA-N 0 0 287.381 0.591 10 0 CCAERN O=C([C@@H]1CCS(=O)(=O)C1)N1CCO[C@H]2CCCC[C@H]21 ZINC000046493742 348359118 /nfs/dbraw/zinc/35/91/18/348359118.db2.gz UWMINEILKUQJOD-UTUOFQBUSA-N 0 0 287.381 0.591 10 0 CCAERN Cc1noc(C2CCN(C(=O)[C@H](C)NC(N)=O)CC2)n1 ZINC000048941728 348430885 /nfs/dbraw/zinc/43/08/85/348430885.db2.gz LDFTYTNCDDYAGB-ZETCQYMHSA-N 0 0 281.316 0.141 10 0 CCAERN O=S(=O)(NC1CCCC1)N[C@H]1CCCC[C@@H]1O ZINC000349536147 137395139 /nfs/dbraw/zinc/39/51/39/137395139.db2.gz MNXRIDOEEBJKLO-QWRGUYRKSA-N 0 0 262.375 0.657 10 0 CCAERN CC(C)C[C@@H](C)C(=O)N1CCC[C@](O)(C(N)=O)C1 ZINC000347682885 137349654 /nfs/dbraw/zinc/34/96/54/137349654.db2.gz HCIVMLWVFVVYDD-ZWNOBZJWSA-N 0 0 256.346 0.507 10 0 CCAERN C[C@@H]1CN(C(=O)C[C@@H]2CCCC[C@@H]2O)C[C@@H]1C(N)=O ZINC000348834345 137378061 /nfs/dbraw/zinc/37/80/61/137378061.db2.gz OKSOUJVPXKLBKS-RHYQMDGZSA-N 0 0 268.357 0.507 10 0 CCAERN C[C@@H](NC(=O)C1CCCCC1)C(=O)N[C@@H]1CCCNC1=O ZINC000050633761 348477933 /nfs/dbraw/zinc/47/79/33/348477933.db2.gz LRFXPNKDHAZUEJ-ZYHUDNBSSA-N 0 0 295.383 0.466 10 0 CCAERN CC(=O)[C@@H](NC(=O)CN1CC[C@H](CO)C1)C(C)C ZINC000051887956 348499757 /nfs/dbraw/zinc/49/97/57/348499757.db2.gz OIJBKUIXOPOGKF-AAEUAGOBSA-N 0 0 256.346 0.030 10 0 CCAERN COCCNC(=O)c1ccc2c(c1)N(S(C)(=O)=O)CC2 ZINC000065210508 348707810 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545182386 /nfs/dbraw/zinc/18/23/86/545182386.db2.gz YBXMMZSUQVDXRV-QPUJVOFHSA-N 0 0 296.762 0.806 10 0 CCAERN O=C(C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)N1CCC[C@@H]1c1ccco1 ZINC000668831575 545191925 /nfs/dbraw/zinc/19/19/25/545191925.db2.gz MLYGYODEUCPZAF-HKUMRIAESA-N 0 0 293.319 0.356 10 0 CCAERN CC(C)OCCCNS(=O)(=O)N1C[C@H](C)OC[C@H]1C ZINC000172967740 527949025 /nfs/dbraw/zinc/94/90/25/527949025.db2.gz FPKSNWTWYZVHGF-NEPJUHHUSA-N 0 0 294.417 0.745 10 0 CCAERN CCNC(=O)N1CC[C@H](NC(=O)[C@H]2CCCO[C@@H]2C)C1 ZINC000189381187 528153336 /nfs/dbraw/zinc/15/33/36/528153336.db2.gz SNCRGRIQRBRVBH-WOPDTQHZSA-N 0 0 283.372 0.722 10 0 CCAERN CC(C)[C@@H](C)NC(=O)C(C)(C)NS(C)(=O)=O ZINC000173017536 528410889 /nfs/dbraw/zinc/41/08/89/528410889.db2.gz CBEAPAAPDQZZEZ-MRVPVSSYSA-N 0 0 250.364 0.475 10 0 CCAERN CNc1nc(C)cc(C(=O)N[C@@H]2CCC[C@H](O)C2)n1 ZINC000672753319 545272411 /nfs/dbraw/zinc/27/24/11/545272411.db2.gz YEFPQDMSRCQZBW-ZJUUUORDSA-N 0 0 264.329 0.860 10 0 CCAERN CCCNS(=O)(=O)N[C@H]1CCC[C@]1(C)CO ZINC000408362232 535179693 /nfs/dbraw/zinc/17/96/93/535179693.db2.gz MQICYAPDAPHTAD-VHSXEESVSA-N 0 0 250.364 0.372 10 0 CCAERN CC1=C(C)C[C@H](S(=O)(=O)[O-])[C@H](C[NH2+]CCO)C1 ZINC000675078247 545321289 /nfs/dbraw/zinc/32/12/89/545321289.db2.gz CVUKQYKTLQNMRX-QWRGUYRKSA-N 0 0 263.359 0.571 10 0 CCAERN CCC(=O)N1CCN(c2cc(CC)nc3ncnn32)CC1 ZINC000301200571 535308364 /nfs/dbraw/zinc/30/83/64/535308364.db2.gz WJLJLHOWQCDYDM-UHFFFAOYSA-N 0 0 288.355 0.745 10 0 CCAERN CCN(CC)C(=O)CN(C)C(=O)[C@H]1CC[C@@H](C)O1 ZINC000124324226 535423285 /nfs/dbraw/zinc/42/32/85/535423285.db2.gz HWRGQUQXZBQDKN-GHMZBOCLSA-N 0 0 256.346 0.881 10 0 CCAERN CCCc1nc(CN2CCCNC(=O)[C@H]2C)no1 ZINC000189266792 535521800 /nfs/dbraw/zinc/52/18/00/535521800.db2.gz AUIPOQDWXWWOFX-SECBINFHSA-N 0 0 252.318 0.733 10 0 CCAERN CC[C@@H](O)CN1CCN(C(=O)[C@]2(C)CCCOC2)CC1 ZINC000408163633 535813270 /nfs/dbraw/zinc/81/32/70/535813270.db2.gz GRNNLLWCWGMTJQ-UKRRQHHQSA-N 0 0 284.400 0.718 10 0 CCAERN CC[C@@H]1C[C@@H](C(=O)N2CCC([C@H](C)O)CC2)CC(=O)N1 ZINC000408201822 535856370 /nfs/dbraw/zinc/85/63/70/535856370.db2.gz GOSJZMMSBSKMAO-CYZMBNFOSA-N 0 0 282.384 0.911 10 0 CCAERN CN[C@H](C(=O)NCCC1CCOCC1)c1cnn(C)c1 ZINC000262254982 536382323 /nfs/dbraw/zinc/38/23/23/536382323.db2.gz SZDBGGOVQCARBS-ZDUSSCGKSA-N 0 0 280.372 0.614 10 0 CCAERN COCc1cc(N2C[C@@H](C)OC[C@@H]2C)n2ncnc2n1 ZINC000408153180 536728307 /nfs/dbraw/zinc/72/83/07/536728307.db2.gz IWXZTACKLKYVFT-VHSXEESVSA-N 0 0 277.328 0.884 10 0 CCAERN Cn1ncc(C(=O)N[C@H]2CCCC[C@H]2CO)c1N ZINC000680502014 545430881 /nfs/dbraw/zinc/43/08/81/545430881.db2.gz BGAIGVDGFJTIIO-WPRPVWTQSA-N 0 0 252.318 0.283 10 0 CCAERN Nc1ccccc1S(=O)(=O)N[C@H]1CCC[C@H](O)C1 ZINC000681027689 545440220 /nfs/dbraw/zinc/44/02/20/545440220.db2.gz IAVOZDVZQMYTRK-UWVGGRQHSA-N 0 0 270.354 0.851 10 0 CCAERN CSCC[C@H](NC(=O)[C@H]([NH3+])CC(C)C)C(=O)[O-] ZINC000004556812 571687117 /nfs/dbraw/zinc/68/71/17/571687117.db2.gz NTISAKGPIGTIJJ-BDAKNGLRSA-N 0 0 262.375 0.682 10 0 endogenous,in-man CCAERN CC[C@@H](C)[C@H](NC(=O)[C@H]([NH3+])CCSC)C(=O)[O-] ZINC000036092733 574414337 /nfs/dbraw/zinc/41/43/37/574414337.db2.gz OGGRSJFVXREKOR-HLTSFMKQSA-N 0 0 262.375 0.682 10 0 endogenous,in-man CCAERN C[C@@H](C[S@@](C)=O)Nc1cnn(CCOCCO)c1 ZINC000757137136 581678650 /nfs/dbraw/zinc/67/86/50/581678650.db2.gz XMFCWTJHBIVTMA-XTZNXHDOSA-N 0 0 275.374 0.071 10 0 CCAERN CC(C)(C)OC(=O)N1CC[C@]2(C1)COC[C@H](CO)O2 ZINC000757138032 581678653 /nfs/dbraw/zinc/67/86/53/581678653.db2.gz QTDQCTBCMONLCM-GWCFXTLKSA-N 0 0 273.329 0.774 10 0 CCAERN Cc1ncc(Br)c(N2CC[C@H]2C(N)=O)n1 ZINC000757141557 581679162 /nfs/dbraw/zinc/67/91/62/581679162.db2.gz DHFVYJOOCQJVQU-ZETCQYMHSA-N 0 0 271.118 0.612 10 0 CCAERN CCN(CC)S(=O)(=O)C[C@H](N)c1ccccn1 ZINC000757153781 581696940 /nfs/dbraw/zinc/69/69/40/581696940.db2.gz SDBKNEWWVBIHIS-JTQLQIEISA-N 0 0 257.359 0.753 10 0 CCAERN CC(C)(C)OC(=O)N1C[C@@H](C(=O)[O-])C2(C[NH2+]C2)C1 ZINC000757184906 581697857 /nfs/dbraw/zinc/69/78/57/581697857.db2.gz NUVYKTGADFWSJX-QMMMGPOBSA-N 0 0 256.302 0.528 10 0 CCAERN O=S1(=O)CCC(CN2CC(n3cccn3)C2)CC1 ZINC000585569928 581889552 /nfs/dbraw/zinc/88/95/52/581889552.db2.gz FKOQRPRSGXVKLU-UHFFFAOYSA-N 0 0 269.370 0.565 10 0 CCAERN Cn1cc(CN2CC[C@@H]([NH+](C)C)C2)c(C(=O)[O-])n1 ZINC000756998974 581939365 /nfs/dbraw/zinc/93/93/65/581939365.db2.gz CDMOETRVYAYKSB-SNVBAGLBSA-N 0 0 252.318 0.254 10 0 CCAERN CC(C)CCCCCCNC(=O)[C@@H](N)CC(N)=O ZINC000040830391 614023836 /nfs/dbraw/zinc/02/38/36/614023836.db2.gz FZOZTFRZPZXPSR-NSHDSACASA-N 0 0 257.378 0.912 10 0 CCAERN CC1CCN(C(=O)C[C@@H]2CS(=O)(=O)CCN2)CC1 ZINC000124872483 614429596 /nfs/dbraw/zinc/42/95/96/614429596.db2.gz CARCWZHGHZPFLL-LLVKDONJSA-N 0 0 274.386 0.022 10 0 CCAERN CC(=O)N1CCC[C@H](C(=O)OCCNc2ncccn2)C1 ZINC000105547840 613863953 /nfs/dbraw/zinc/86/39/53/613863953.db2.gz IILKKFPTMLDOTH-LBPRGKRZSA-N 0 0 292.339 0.690 10 0 CCAERN CC(C)N(C)S(=O)(=O)NCCCc1cnn(C)c1 ZINC000102661852 614270217 /nfs/dbraw/zinc/27/02/17/614270217.db2.gz TXDUQZDJUOWAKC-UHFFFAOYSA-N 0 0 274.390 0.527 10 0 CCAERN CC(C)[C@H]1OCC[C@@H]1CNC(=O)[C@H]1OCCN(C)C1=O ZINC000907554633 614284957 /nfs/dbraw/zinc/28/49/57/614284957.db2.gz RIHDZZLOPZAFLM-IJLUTSLNSA-N 0 0 284.356 0.021 10 0 CCAERN CCC/C=C/[C@@H](O)C(=O)N1C[C@H](OC)C[C@H]1c1nc[nH]n1 ZINC000908093143 614596573 /nfs/dbraw/zinc/59/65/73/614596573.db2.gz ONPTUTNHJGQBEW-NIJZVALHSA-N 0 0 294.355 0.810 10 0 CCAERN CCC[C@H](C)N(C)C(=O)C[C@H]1CS(=O)(=O)CCN1 ZINC000124952938 615038607 /nfs/dbraw/zinc/03/86/07/615038607.db2.gz DFLOIRXBGWGZKW-QWRGUYRKSA-N 0 0 276.402 0.410 10 0 CCAERN CCOC(=O)NCCC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000042348058 615247076 /nfs/dbraw/zinc/24/70/76/615247076.db2.gz YIOJDNPRWKDKFP-UWVGGRQHSA-N 0 0 258.318 0.758 10 0 CCAERN CCS(=O)(=O)CCN1CCN(CCOC)[C@H](C)C1 ZINC000118398113 615534292 /nfs/dbraw/zinc/53/42/92/615534292.db2.gz XKGJQUOFYMINFT-GFCCVEGCSA-N 0 0 278.418 0.074 10 0 CCAERN CC[C@H](C)N(CC)C(=O)C[C@@H]1CS(=O)(=O)CCN1 ZINC000124924155 615670996 /nfs/dbraw/zinc/67/09/96/615670996.db2.gz MICKXJJNWBSFEO-WDEREUQCSA-N 0 0 276.402 0.410 10 0 CCAERN CC[C@H]1CC(=O)N(CN2CC[C@H](N3CCOCC3)C2)C1 ZINC000119359697 615879058 /nfs/dbraw/zinc/87/90/58/615879058.db2.gz RTUXBISPFGXBHX-KBPBESRZSA-N 0 0 281.400 0.609 10 0 CCAERN CN(C)C(=O)[C@@H](Cc1cc[nH]n1)NC(=O)OC(C)(C)C ZINC000900100711 615997028 /nfs/dbraw/zinc/99/70/28/615997028.db2.gz IQMVJJWDULJNGS-SNVBAGLBSA-N 0 0 282.344 0.934 10 0 CCAERN COC1(OC)CCN(Cc2nnc(C(C)C)n2C)C[C@H]1O ZINC000931635036 616472338 /nfs/dbraw/zinc/47/23/38/616472338.db2.gz MRGZNAKOSHHWCZ-LLVKDONJSA-N 0 0 298.387 0.494 10 0 CCAERN CO[C@@H]1CN(c2nnc(C)c(C)n2)C[C@H]1c1cn(C)nn1 ZINC000886079455 616779451 /nfs/dbraw/zinc/77/94/51/616779451.db2.gz BQWXIBSJHHPVAE-CMPLNLGQSA-N 0 0 289.343 0.236 10 0 CCAERN COC[C@@H](C)NC(=S)N1CC[C@H](N2CCOCC2)C1 ZINC000135030984 616825705 /nfs/dbraw/zinc/82/57/05/616825705.db2.gz NOVMTBCXXCTKBO-NEPJUHHUSA-N 0 0 287.429 0.302 10 0 CCAERN COC[C@@H](C)OC(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000113683499 616834798 /nfs/dbraw/zinc/83/47/98/616834798.db2.gz GCSRNFZGDMMEFP-RKDXNWHRSA-N 0 0 255.270 0.976 10 0 CCAERN COC[C@@H](OC)C(=O)N1CC[C@@H](n2cc(C3CC3)nn2)C1 ZINC000899091692 616930896 /nfs/dbraw/zinc/93/08/96/616930896.db2.gz VQYFUCZBAKWGDM-DGCLKSJQSA-N 0 0 294.355 0.590 10 0 CCAERN CO[C@H]1CCCCN(CC(=O)NCc2[nH]cnc2C)C1=O ZINC000886089145 617094003 /nfs/dbraw/zinc/09/40/03/617094003.db2.gz ZUMMCBILUGRSIS-LBPRGKRZSA-N 0 0 294.355 0.362 10 0 CCAERN CO[C@H]1CCCCN(CC(=O)NCc2nccn2C)C1=O ZINC000886074686 617094074 /nfs/dbraw/zinc/09/40/74/617094074.db2.gz NZJCLOFCSCGCRH-NSHDSACASA-N 0 0 294.355 0.064 10 0 CCAERN CO[C@H]1CCCCN(CC(=O)N(C)Cc2cc[nH]n2)C1=O ZINC000886075576 617094198 /nfs/dbraw/zinc/09/41/98/617094198.db2.gz OUKIINQZOOAWJO-LBPRGKRZSA-N 0 0 294.355 0.396 10 0 CCAERN CO[C@@H](C)CC(=O)N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000112063104 617146848 /nfs/dbraw/zinc/14/68/48/617146848.db2.gz DOKCXYGTXWUGQJ-QWHCGFSZSA-N 0 0 281.356 0.844 10 0 CCAERN C[C@H]1COCCN1C(=O)[C@H]1CCc2n[nH]nc2C1 ZINC000328778290 625325387 /nfs/dbraw/zinc/32/53/87/625325387.db2.gz LSGOHFNKZAZZFF-IUCAKERBSA-N 0 0 250.302 0.157 10 0 CCAERN O=C(O[C@H]1CCN(CC(F)(F)F)C1)[C@H]1CNC(=O)C1 ZINC000185151293 625414012 /nfs/dbraw/zinc/41/40/12/625414012.db2.gz XAPWFVUZDBTVJZ-SFYZADRCSA-N 0 0 280.246 0.302 10 0 CCAERN CCCCN1CCOC[C@@H]1C(=O)OC[C@@H]1CCC(=O)N1 ZINC000194205382 625578329 /nfs/dbraw/zinc/57/83/29/625578329.db2.gz VZMIEYPBJADBKO-NWDGAFQWSA-N 0 0 284.356 0.309 10 0 CCAERN Cc1n[nH]nc1C(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000194354827 625584455 /nfs/dbraw/zinc/58/44/55/625584455.db2.gz JSHHKSBLVZTSHP-GXFFZTMASA-N 0 0 264.329 0.880 10 0 CCAERN Cc1ccc(N)cc1S(=O)(=O)NC[C@@H]1CN(C)CCO1 ZINC000091662493 622895555 /nfs/dbraw/zinc/89/55/55/622895555.db2.gz KEZABXGDBYRAPG-GFCCVEGCSA-N 0 0 299.396 0.186 10 0 CCAERN Cc1cccc(OCC(=O)N2CCOC[C@@H]2CO)c1 ZINC000168513878 623039348 /nfs/dbraw/zinc/03/93/48/623039348.db2.gz YRPALXFLTNHZSD-LBPRGKRZSA-N 0 0 265.309 0.594 10 0 CCAERN COc1ccccc1CC(=O)N1CCOC[C@@H]1CO ZINC000168583491 623043685 /nfs/dbraw/zinc/04/36/85/623043685.db2.gz KNEFBXXOKRFDIE-LBPRGKRZSA-N 0 0 265.309 0.457 10 0 CCAERN COC(=O)N[C@@H](C(=O)N1CC[C@](C)(O)C1)C(C)C ZINC000177412393 623397976 /nfs/dbraw/zinc/39/79/76/623397976.db2.gz GTLNUZIKHIHUPU-SKDRFNHKSA-N 0 0 258.318 0.350 10 0 CCAERN CON(C)C(=O)C1CCC(C(=O)N(C)OC)CC1 ZINC000194283953 625661063 /nfs/dbraw/zinc/66/10/63/625661063.db2.gz GVUKUHFMOGYKDO-UHFFFAOYSA-N 0 0 258.318 0.832 10 0 CCAERN O=C(c1ccc(CO)cc1)N1CCOC[C@H]1CO ZINC000168564869 623773146 /nfs/dbraw/zinc/77/31/46/623773146.db2.gz RGISNCJQAHNUPJ-GFCCVEGCSA-N 0 0 251.282 0.012 10 0 CCAERN Cc1cc(N)nc(N2C[C@H](N3CCOCC3)[C@@H](C)C2)n1 ZINC000892854304 623854429 /nfs/dbraw/zinc/85/44/29/623854429.db2.gz BLDLKQGUNRRKJT-JQWIXIFHSA-N 0 0 277.372 0.524 10 0 CCAERN Cc1n[nH]nc1NC(=O)[C@@H]1OCC[C@@H]1Cn1cccn1 ZINC000892888647 623860976 /nfs/dbraw/zinc/86/09/76/623860976.db2.gz NTAMYAGFEUMGGT-NXEZZACHSA-N 0 0 276.300 0.353 10 0 CCAERN 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CC[N@H+](Cc1nn2c(nc(C)cc2=O)s1)[C@@H](C)C(=O)[O-] ZINC000707978023 969031745 /nfs/dbraw/zinc/03/17/45/969031745.db2.gz WYFLJTOHENYCFI-QMMMGPOBSA-N 0 0 296.352 0.754 10 0 CCAERN O=C([O-])c1cc(NC(=O)C23CC[NH+](CC2)C3)[nH]n1 ZINC000715807968 969084285 /nfs/dbraw/zinc/08/42/85/969084285.db2.gz FHIUMZPRPYQZNK-UHFFFAOYSA-N 0 0 250.258 0.142 10 0 CCAERN O=C([O-])C1CCC(O)(C[NH2+][C@H](CO)C2CCC2)CC1 ZINC000717654459 969093229 /nfs/dbraw/zinc/09/32/29/969093229.db2.gz DPOJASNNWYQFLW-MBHSVXNSSA-N 0 0 271.357 0.743 10 0 CCAERN C[C@H]1[C@@H]([NH2+]CC2(O)CCC(C(=O)[O-])CC2)CCN1C ZINC000719515205 969104453 /nfs/dbraw/zinc/10/44/53/969104453.db2.gz GMOKPXLRSZTHEM-ATWGWHJKSA-N 0 0 270.373 0.675 10 0 CCAERN C[C@@H]1C[C@H](C[N@@H+]2CCO[C@@H](C(=O)[O-])C2)C[C@H](C)O1 ZINC000724412270 969125101 /nfs/dbraw/zinc/12/51/01/969125101.db2.gz WMOLKPAJKRJITP-NOOOWODRSA-N 0 0 257.330 0.975 10 0 CCAERN C[C@@H]1C[C@@H](C(=O)N2CC[NH+](CC(=O)[O-])CC2)[C@H](C)O1 ZINC000686444464 976111829 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CC(C)(C(=O)[O-])n1cc(NC(=O)[C@H]([NH3+])C2CCC2)cn1 ZINC000698685097 976900330 /nfs/dbraw/zinc/90/03/30/976900330.db2.gz AZEHCARLSSZGNT-SNVBAGLBSA-N 0 0 280.328 0.769 10 0 CCAERN C[C@@H]1[C@@H](C(=O)[O-])CC[N@@H+]1CCCS(=O)(=O)N(C)C ZINC000699063679 976907487 /nfs/dbraw/zinc/90/74/87/976907487.db2.gz QPKDQMHGHPJQSM-ZJUUUORDSA-N 0 0 278.374 0.063 10 0 CCAERN [NH3+]C1(CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)CCCC1 ZINC000699664766 976927059 /nfs/dbraw/zinc/92/70/59/976927059.db2.gz RDUIAMWQPYPTHX-BDAKNGLRSA-N 0 0 256.302 0.006 10 0 CCAERN CN1CCOC[C@H]1C[NH2+]Cc1ccsc1C(=O)[O-] ZINC000700219011 976937636 /nfs/dbraw/zinc/93/76/36/976937636.db2.gz SRTGMQUKCLDPJV-SNVBAGLBSA-N 0 0 270.354 0.867 10 0 CCAERN Cc1csc(=O)n1CC[N@@H+](C)C[C@@H](C)C(=O)[O-] ZINC000700214035 976937908 /nfs/dbraw/zinc/93/79/08/976937908.db2.gz DWHKGJYYZJXDFC-MRVPVSSYSA-N 0 0 258.343 0.871 10 0 CCAERN CC(C)(CC[NH2+]CC1(CO)CCOCC1)C(=O)[O-] ZINC000700886182 976988949 /nfs/dbraw/zinc/98/89/49/976988949.db2.gz 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/nfs/dbraw/zinc/54/75/69/521547569.db2.gz UYSPHQPBZAFZEY-UHFFFAOYSA-N 0 0 266.370 0.678 10 0 CCAERN CCN1CCN(S(=O)(=O)c2ccc(NC)nc2)CC1 ZINC000050635471 521690684 /nfs/dbraw/zinc/69/06/84/521690684.db2.gz USLBVEIAJMECSV-UHFFFAOYSA-N 0 0 284.385 0.450 10 0 CCAERN CNc1cc(CN2CCS(=O)(=O)CC2)ccn1 ZINC000052721298 522565883 /nfs/dbraw/zinc/56/58/83/522565883.db2.gz QUGDIRAYBKIITO-UHFFFAOYSA-N 0 0 255.343 0.354 10 0 CCAERN CNc1ccc(S(=O)(=O)NCc2cc(C)on2)cn1 ZINC000050670513 522635342 /nfs/dbraw/zinc/63/53/42/522635342.db2.gz JHYVDKAIJNSVTR-UHFFFAOYSA-N 0 0 282.325 0.898 10 0 CCAERN CNc1cccc(C(=O)N[C@H](C)c2nncn2C)n1 ZINC000051071126 522652698 /nfs/dbraw/zinc/65/26/98/522652698.db2.gz HXFHHTBUECHFFN-MRVPVSSYSA-N 0 0 260.301 0.743 10 0 CCAERN CNc1ncccc1S(=O)(=O)N[C@@H]1CCC[C@H]1OC ZINC000050661537 522714916 /nfs/dbraw/zinc/71/49/16/522714916.db2.gz ONHQSPRSXPCBQB-NXEZZACHSA-N 0 0 285.369 0.969 10 0 CCAERN CC(C)(C)N1C[C@H](NC(=O)N2CC[C@@H](CCO)C2)CC1=O ZINC000408249650 534679495 /nfs/dbraw/zinc/67/94/95/534679495.db2.gz APXSDFZOMSNBMH-NWDGAFQWSA-N 0 0 297.399 0.800 10 0 CCAERN CN(C[C@@H]1CCCO1)S(=O)(=O)c1cccnc1N ZINC000050672217 523054066 /nfs/dbraw/zinc/05/40/66/523054066.db2.gz CSVSXUSVYAWHGG-VIFPVBQESA-N 0 0 271.342 0.463 10 0 CCAERN CCn1ccnc(NC[C@H]2CCS(=O)(=O)C2)c1=O ZINC000061764055 523507209 /nfs/dbraw/zinc/50/72/09/523507209.db2.gz DHHCJBMYXSEWCQ-SECBINFHSA-N 0 0 271.342 0.110 10 0 CCAERN C[NH+]1CCC(NC(=O)N[C@H](C(=O)[O-])C2CC2)CC1 ZINC000054524653 523773879 /nfs/dbraw/zinc/77/38/79/523773879.db2.gz MHQHMNCSEKNGHG-JTQLQIEISA-N 0 0 255.318 0.243 10 0 CCAERN CC[C@H](C(=O)[O-])N(C)C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000061654196 523806400 /nfs/dbraw/zinc/80/64/00/523806400.db2.gz GFYSRXFHYAYOOR-WDEREUQCSA-N 0 0 271.361 0.927 10 0 CCAERN Ic1nnc2n1CCOC2 ZINC000575466380 545102299 /nfs/dbraw/zinc/10/22/99/545102299.db2.gz KXIFKHALZWNSPR-UHFFFAOYSA-N 0 0 251.027 0.413 10 0 CCAERN CN1N=C(C(=O)N[C@H]2CCCC[C@@H]2CO)CCC1=O ZINC000150973486 524030376 /nfs/dbraw/zinc/03/03/76/524030376.db2.gz JXCQCVCEHDRVIP-ZJUUUORDSA-N 0 0 267.329 0.262 10 0 CCAERN CNC(=O)CCNCc1nnc(-c2ccccc2)o1 ZINC000050601962 524068763 /nfs/dbraw/zinc/06/87/63/524068763.db2.gz PRPFUDUHIUGJHS-UHFFFAOYSA-N 0 0 260.297 0.962 10 0 CCAERN CNC(=O)[C@@H](C)NC(=O)c1nc(C(C)C)ncc1N ZINC000050709695 524080825 /nfs/dbraw/zinc/08/08/25/524080825.db2.gz CIHJTEOMOGCCNE-SSDOTTSWSA-N 0 0 265.317 0.047 10 0 CCAERN C[C@@H]1CC[C@@H](C(=O)[O-])[C@H]([NH+]2CCS(=O)CC2)C1 ZINC000062754253 524565601 /nfs/dbraw/zinc/56/56/01/524565601.db2.gz JATLTJCFXQEMQM-GMTAPVOTSA-N 0 0 259.371 0.940 10 0 CCAERN C[C@@H]1CC[C@H](C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)O1 ZINC000157994629 524631771 /nfs/dbraw/zinc/63/17/71/524631771.db2.gz BPELSDJJOSMWEQ-REWJHTLYSA-N 0 0 282.384 0.733 10 0 CCAERN C[C@@H](CN1c2ccc(N)cc2O[C@@H](C)C1=O)C(N)=O ZINC000061912453 524637207 /nfs/dbraw/zinc/63/72/07/524637207.db2.gz RAIGAVXZLVTJIP-YUMQZZPRSA-N 0 0 263.297 0.504 10 0 CCAERN C[C@H](NC(=O)N1C[C@@H](C)O[C@@H](C(N)=O)C1)c1ccncc1 ZINC000164148526 525045642 /nfs/dbraw/zinc/04/56/42/525045642.db2.gz FKXJIKWXHGOVNB-JFGNBEQYSA-N 0 0 292.339 0.427 10 0 CCAERN C[C@H]1c2ccccc2O[C@H]1C(=O)NCCOCCO ZINC000158547221 525124840 /nfs/dbraw/zinc/12/48/40/525124840.db2.gz UUTBEJDFOVFGLO-GXFFZTMASA-N 0 0 265.309 0.676 10 0 CCAERN C[C@@H]1C[C@@H](CNC(=O)N2CCCNC(=O)[C@@H]2C)CCO1 ZINC000364568107 525239872 /nfs/dbraw/zinc/23/98/72/525239872.db2.gz TYYSXYZPPDXWGX-WOPDTQHZSA-N 0 0 283.372 0.722 10 0 CCAERN C[C@@H]1OCC[C@@H]1NC(=O)N1CCCNC(=O)[C@@H]1C ZINC000364957192 525572686 /nfs/dbraw/zinc/57/26/86/525572686.db2.gz DPZKKUKXEZPTNF-GUBZILKMSA-N 0 0 255.318 0.084 10 0 CCAERN Cc1ccc([C@@H](C)NCC(=O)N2CCNC(=O)C2)o1 ZINC000183088738 525723133 /nfs/dbraw/zinc/72/31/33/525723133.db2.gz ZXCPIWVAOKONEG-SNVBAGLBSA-N 0 0 265.313 0.197 10 0 CCAERN C[C@@H]1c2ccsc2CCN1[C@@H]1CS(=O)(=O)C[C@@H]1O ZINC000049538417 525736150 /nfs/dbraw/zinc/73/61/50/525736150.db2.gz DDERVRPOFHNKNL-IEBDPFPHSA-N 0 0 287.406 0.825 10 0 CCAERN Cc1ccc([C@H](C)NC(=O)C(=O)NCC(N)=S)o1 ZINC000049224131 525884393 /nfs/dbraw/zinc/88/43/93/525884393.db2.gz WIYHDLUGAKAJCI-ZETCQYMHSA-N 0 0 269.326 0.168 10 0 CCAERN Cc1ccc([C@H](O)Cn2ccn(C)c(=O)c2=O)cc1 ZINC000061797309 525979146 /nfs/dbraw/zinc/97/91/46/525979146.db2.gz KNTSUIIPHMVLOF-GFCCVEGCSA-N 0 0 260.293 0.589 10 0 CCAERN Cc1cnn(CCNC(=O)N2CCO[C@@]3(CCOC3)C2)c1 ZINC000184459451 526262182 /nfs/dbraw/zinc/26/21/82/526262182.db2.gz ZDHPOWMMKNFXJJ-AWEZNQCLSA-N 0 0 294.355 0.392 10 0 CCAERN O=C(C1CC1)N1CCC[C@H](C(=O)N2C[C@@H](F)C[C@@H]2CO)C1 ZINC000366662610 526286030 /nfs/dbraw/zinc/28/60/30/526286030.db2.gz LUDQSPQPXJWLRA-RWMBFGLXSA-N 0 0 298.358 0.566 10 0 CCAERN CC(=O)C[C@H]1COCCN1C(=O)C[C@@H]1CCCCNC1=O ZINC000374225111 526456659 /nfs/dbraw/zinc/45/66/59/526456659.db2.gz MKBVVGOLUZOIKM-STQMWFEESA-N 0 0 296.367 0.499 10 0 CCAERN Cc1nnc([C@@H]2CN(C(=O)c3ccnnc3)CCO2)[nH]1 ZINC000155618447 526535121 /nfs/dbraw/zinc/53/51/21/526535121.db2.gz 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/nfs/dbraw/zinc/52/31/13/527523113.db2.gz JQTNJZSGFLFCBL-UWVGGRQHSA-N 0 0 277.386 0.477 10 0 CCAERN Nc1cccnc1S(=O)(=O)CCCn1ccnc1 ZINC000049329197 527530988 /nfs/dbraw/zinc/53/09/88/527530988.db2.gz LWPQLLHPHPGBMA-UHFFFAOYSA-N 0 0 266.326 0.724 10 0 CCAERN OCCCOc1nc(Cl)nc(-n2ccnc2)n1 ZINC000061520460 527540921 /nfs/dbraw/zinc/54/09/21/527540921.db2.gz ZXYAJWWLSZOPKS-UHFFFAOYSA-N 0 0 255.665 0.472 10 0 CCAERN O=C([O-])CC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000050917587 527566389 /nfs/dbraw/zinc/56/63/89/527566389.db2.gz LXEYPMOEHMVSER-UHFFFAOYSA-N 0 0 254.330 0.938 10 0 CCAERN Cn1nccc1C(=O)NCc1cccc(C(N)=S)c1 ZINC000061665546 527595157 /nfs/dbraw/zinc/59/51/57/527595157.db2.gz UNVIBMAKHGAFHT-UHFFFAOYSA-N 0 0 274.349 0.984 10 0 CCAERN CC(C)CCNS(=O)(=O)N1C[C@H](C)OC[C@H]1C ZINC000172959768 527741862 /nfs/dbraw/zinc/74/18/62/527741862.db2.gz DYJBOOVUOYOTJZ-MNOVXSKESA-N 0 0 264.391 0.976 10 0 CCAERN COC(=O)[C@@H](C)N(C[C@@H](O)CO)C(=O)OC(C)(C)C ZINC000669381482 545206297 /nfs/dbraw/zinc/20/62/97/545206297.db2.gz KUROEIIINNIAES-RKDXNWHRSA-N 0 0 277.317 0.138 10 0 CCAERN CS(=O)(=O)[N-][C@@H](C[NH3+])C(F)(F)C(F)(F)F ZINC000669380750 545206401 /nfs/dbraw/zinc/20/64/01/545206401.db2.gz VLINBMZNOWPQKH-VKHMYHEASA-N 0 0 256.196 0.061 10 0 CCAERN CCCCN1CCOC[C@@H]1C(=O)N[C@H]1C(=O)NCC[C@H]1C ZINC000195167866 528479048 /nfs/dbraw/zinc/47/90/48/528479048.db2.gz JPNXAAMALBWFHD-JHJVBQTASA-N 0 0 297.399 0.128 10 0 CCAERN CCCCOC[C@@H](O)CN1C(=O)[C@@H]2CCCN2C1=O ZINC000193364810 528616265 /nfs/dbraw/zinc/61/62/65/528616265.db2.gz BCOPACBVNBHUJY-QWRGUYRKSA-N 0 0 270.329 0.591 10 0 CCAERN Cc1cnc(C)c(N2CC[C@](O)(Cn3ccnn3)C2)n1 ZINC000671467275 545248640 /nfs/dbraw/zinc/24/86/40/545248640.db2.gz VWXVZKNPJWUEBU-CYBMUJFWSA-N 0 0 274.328 0.326 10 0 CCAERN CC1(C)COC[C@H]1NC(=O)c1cnn2cccnc12 ZINC000456509664 529134452 /nfs/dbraw/zinc/13/44/52/529134452.db2.gz DLYXLPBLPSWNEA-SNVBAGLBSA-N 0 0 260.297 0.884 10 0 CCAERN CC(C)(C)n1cc([C@@H]2NC(=O)[C@@H]3COCCN23)cn1 ZINC000093883618 534960458 /nfs/dbraw/zinc/96/04/58/534960458.db2.gz WUIGDPKBZWBXKM-WDEREUQCSA-N 0 0 264.329 0.467 10 0 CCAERN CC(C)n1nnnc1CN1CCOC2(CCOCC2)C1 ZINC000135628515 535167044 /nfs/dbraw/zinc/16/70/44/535167044.db2.gz SIFKGAQKDIWORL-UHFFFAOYSA-N 0 0 281.360 0.635 10 0 CCAERN CC(C)n1nnnc1CN1CCO[C@H]([C@H]2CCCO2)C1 ZINC000246726342 535168907 /nfs/dbraw/zinc/16/89/07/535168907.db2.gz AIAOCKDDKGGTIB-NEPJUHHUSA-N 0 0 281.360 0.634 10 0 CCAERN CC(C)COC[C@H](O)CNC(=O)[C@@H]1CCCO[C@@H]1C ZINC000249616149 535195970 /nfs/dbraw/zinc/19/59/70/535195970.db2.gz PPUYQHVSWWDEOX-JHJVBQTASA-N 0 0 273.373 0.951 10 0 CCAERN CN(Cc1nsc(C(=O)[O-])n1)C1CC[NH+](C)CC1 ZINC000675055689 545320694 /nfs/dbraw/zinc/32/06/94/545320694.db2.gz ZKMXWQVRBDSQIL-UHFFFAOYSA-N 0 0 270.358 0.762 10 0 CCAERN CCOC(=O)C(=O)Nc1cc(C)ncc1OC1CC1 ZINC000675079564 545321297 /nfs/dbraw/zinc/32/12/97/545321297.db2.gz IARZTIIRTZWYKM-UHFFFAOYSA-N 0 0 264.281 0.855 10 0 CCAERN CC1CCN(C(=O)N2CCC[C@@](O)(CO)C2)CC1 ZINC000313654674 535270877 /nfs/dbraw/zinc/27/08/77/535270877.db2.gz IQXZPTFQOSOFDA-ZDUSSCGKSA-N 0 0 256.346 0.658 10 0 CCAERN Cn1cnc(S(=O)(=O)N[C@@H]2CCC[C@@H](O)C2)c1 ZINC000676845610 545353815 /nfs/dbraw/zinc/35/38/15/545353815.db2.gz QDWJZGPTKMINEP-RKDXNWHRSA-N 0 0 259.331 0.002 10 0 CCAERN CC[C@@H]1C[C@H](C(=O)N[C@@H](C)C(=O)N2CCOCC2)CCO1 ZINC000408156383 535884636 /nfs/dbraw/zinc/88/46/36/535884636.db2.gz YPIAJENWSGLWAM-YNEHKIRRSA-N 0 0 298.383 0.555 10 0 CCAERN CC[C@@H]1OCCC[C@@H]1C(=O)NCc1nc(N(C)C)no1 ZINC000356406126 535929341 /nfs/dbraw/zinc/92/93/41/535929341.db2.gz NBECAPAYKVQUMC-UWVGGRQHSA-N 0 0 282.344 0.957 10 0 CCAERN Cc1nn(C)c(=O)c(C(=O)N[C@@H]2CCC[C@H](O)C2)c1C ZINC000677921492 545377129 /nfs/dbraw/zinc/37/71/29/545377129.db2.gz ZYIXGQMVTAVXFE-MNOVXSKESA-N 0 0 279.340 0.430 10 0 CCAERN CN(C)Nc1[nH+]cnc(N2CCC(C(=O)[O-])CC2)c1N ZINC000040760150 536063655 /nfs/dbraw/zinc/06/36/55/536063655.db2.gz RCEXSSOOTPSZKV-UHFFFAOYSA-N 0 0 280.332 0.248 10 0 CCAERN COC(=O)[C@@H]1C[C@H](OC)CN1C(=O)[C@H]1CCO[C@H]1C ZINC000362362837 536531923 /nfs/dbraw/zinc/53/19/23/536531923.db2.gz NLVFPQZOTQQJRD-NAKRPEOUSA-N 0 0 271.313 0.200 10 0 CCAERN COC[C@H]1C[C@@H](OC)CN1C(=O)c1cc(C)on1 ZINC000344822784 536596098 /nfs/dbraw/zinc/59/60/98/536596098.db2.gz WSYNOJYPOUYWCW-NXEZZACHSA-N 0 0 254.286 0.859 10 0 CCAERN COC(=O)c1cccnc1CN1C[C@@H](CO)OC[C@H]1C ZINC000312214725 536819966 /nfs/dbraw/zinc/81/99/66/536819966.db2.gz SPCNFKIIMWJACJ-MNOVXSKESA-N 0 0 280.324 0.450 10 0 CCAERN CO[C@@H](C)C(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000122622437 536856743 /nfs/dbraw/zinc/85/67/43/536856743.db2.gz CRCBAFINCHVYNY-NWDGAFQWSA-N 0 0 278.356 0.939 10 0 CCAERN Nc1cccc(S(=O)(=O)N[C@H]2CCC[C@H](O)C2)c1 ZINC000681091748 545442764 /nfs/dbraw/zinc/44/27/64/545442764.db2.gz NYQXFADXHFQNHE-QWRGUYRKSA-N 0 0 270.354 0.851 10 0 CCAERN COC(=O)[C@@H](C)n1cc(N)cc(Br)c1=O ZINC000725248984 567908814 /nfs/dbraw/zinc/90/88/14/567908814.db2.gz GNOWZUOWKKSGHA-RXMQYKEDSA-N 0 0 275.102 0.927 10 0 CCAERN OCCOCCn1cc(NCC2(CO)CC2)cn1 ZINC000757136749 581678693 /nfs/dbraw/zinc/67/86/93/581678693.db2.gz PXXWHHTWWODUOE-UHFFFAOYSA-N 0 0 255.318 0.076 10 0 CCAERN NC(=O)[C@@H]1CCN1c1ncncc1Br ZINC000757146344 581680008 /nfs/dbraw/zinc/68/00/08/581680008.db2.gz NGHKKHYTANQNGG-LURJTMIESA-N 0 0 257.091 0.303 10 0 CCAERN NC(=O)[C@H]1CCN1c1ncc(Br)cc1N ZINC000757150849 581681318 /nfs/dbraw/zinc/68/13/18/581681318.db2.gz WVJNJCGCUYMDKS-SSDOTTSWSA-N 0 0 271.118 0.490 10 0 CCAERN O=C([O-])[C@H]1C[NH2+]C[C@H](NC(=O)C2CCCCC2)C1 ZINC000757192130 581686273 /nfs/dbraw/zinc/68/62/73/581686273.db2.gz IDEVYOBFNSQUEV-GHMZBOCLSA-N 0 0 254.330 0.746 10 0 CCAERN CSCC[C@@H](C)NC(=O)C[C@H]1CS(=O)(=O)CCN1 ZINC000130575829 617240215 /nfs/dbraw/zinc/24/02/15/617240215.db2.gz MWZGWTLQUUILFE-ZJUUUORDSA-N 0 0 294.442 0.021 10 0 CCAERN CSCC[C@@H](C)NC(=O)C[C@@H]1CS(=O)(=O)CCN1 ZINC000130575435 617240396 /nfs/dbraw/zinc/24/03/96/617240396.db2.gz MWZGWTLQUUILFE-NXEZZACHSA-N 0 0 294.442 0.021 10 0 CCAERN C/C=C\[C@H](O)C(=O)N1CCC[C@@H]1Cn1cncn1 ZINC000900678844 613212288 /nfs/dbraw/zinc/21/22/88/613212288.db2.gz XHHZEQLKRXZWDN-ADAMHKFESA-N 0 0 250.302 0.206 10 0 CCAERN C/C(=C/C(=O)NCC[C@@H]1CCCO1)CN1CCOCC1 ZINC000900101558 613236661 /nfs/dbraw/zinc/23/66/61/613236661.db2.gz UBZAHSHFVMSGKP-FZDNWWAKSA-N 0 0 282.384 0.950 10 0 CCAERN C/C(=C\C(=O)N1CC[C@H](CCO)C1)CN1CCOCC1 ZINC000901143566 613253031 /nfs/dbraw/zinc/25/30/31/613253031.db2.gz LHVMWAYJSDUHDJ-JWAFFJSPSA-N 0 0 282.384 0.496 10 0 CCAERN CC(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)C[C@]1(C)CO ZINC000912657231 614177665 /nfs/dbraw/zinc/17/76/65/614177665.db2.gz BIYYLNCCMFELON-OWTLIXCDSA-N 0 0 271.357 0.392 10 0 CCAERN CC(=O)OC1CCN(C(=O)NCCn2cc(C)cn2)CC1 ZINC000132887555 614213810 /nfs/dbraw/zinc/21/38/10/614213810.db2.gz UKIXBDODFVMPGS-UHFFFAOYSA-N 0 0 294.355 0.929 10 0 CCAERN CCOC(=O)[C@@H](C)NCc1c(C)nn(C)c1OC ZINC000122866634 615266537 /nfs/dbraw/zinc/26/65/37/615266537.db2.gz ONSOUVHNKLLZPF-SECBINFHSA-N 0 0 255.318 0.778 10 0 CCAERN CN(C)C(=O)c1cccc(OC(=O)[C@@H]2CNC(=O)C2)c1 ZINC000121655008 615837452 /nfs/dbraw/zinc/83/74/52/615837452.db2.gz YRSOGIMREZEJTR-JTQLQIEISA-N 0 0 276.292 0.430 10 0 CCAERN CC[C@H]1CN(CCS(=O)(=O)CC)CCN1CCOC ZINC000118398141 615914203 /nfs/dbraw/zinc/91/42/03/615914203.db2.gz OTPSNLLJCUQEER-ZDUSSCGKSA-N 0 0 292.445 0.464 10 0 CCAERN CCn1cc(C(=O)N2CCN3CCCC[C@@H]3C2)nn1 ZINC000930949014 615938211 /nfs/dbraw/zinc/93/82/11/615938211.db2.gz FUBSKJMUKMCTLD-LLVKDONJSA-N 0 0 263.345 0.608 10 0 CCAERN CN(Cc1ccoc1)C(=O)c1cn([C@@H]2COC[C@H]2O)nn1 ZINC000888093864 616086895 /nfs/dbraw/zinc/08/68/95/616086895.db2.gz ZZTNKVXZBIKSOE-VXGBXAGGSA-N 0 0 292.295 0.076 10 0 CCAERN CN(CCO)C(=O)[C@@H]1CCCO[C@H]1c1cn[nH]c1 ZINC000888075927 616098825 /nfs/dbraw/zinc/09/88/25/616098825.db2.gz ADXNDXLJCHZADH-MNOVXSKESA-N 0 0 253.302 0.328 10 0 CCAERN COC(OC)C(=O)N[C@@H]1CCO[C@H]1c1c(C)nn(C)c1C ZINC000913087742 616335966 /nfs/dbraw/zinc/33/59/66/616335966.db2.gz XBPGBSHLCQLXHS-ZYHUDNBSSA-N 0 0 297.355 0.602 10 0 CCAERN COC(=O)CC(=O)N(C)[C@H]1CCO[C@@H]1c1cccnc1 ZINC000908098086 616471880 /nfs/dbraw/zinc/47/18/80/616471880.db2.gz MZXNJPPUVCKNJG-SMDDNHRTSA-N 0 0 278.308 0.933 10 0 CCAERN CNC(=O)[C@]1(COC)CCCN1C(=O)c1cncnc1C ZINC000888075968 616894273 /nfs/dbraw/zinc/89/42/73/616894273.db2.gz IAVIRYCHQRAQJI-CQSZACIVSA-N 0 0 292.339 0.152 10 0 CCAERN COC(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)CCO ZINC000123557443 616918584 /nfs/dbraw/zinc/91/85/84/616918584.db2.gz PUCDYJZZGKKYNA-NXEZZACHSA-N 0 0 260.334 0.644 10 0 CCAERN COC[C@H](C)C(=O)OCc1nnnn1-c1ccccc1 ZINC000103552205 617049474 /nfs/dbraw/zinc/04/94/74/617049474.db2.gz YKMIECAABGLOCC-JTQLQIEISA-N 0 0 276.296 0.988 10 0 CCAERN Cc1nnccc1C(=O)N[C@H]1C[C@@H](O)[C@@H]1n1cccn1 ZINC000888079450 622828775 /nfs/dbraw/zinc/82/87/75/622828775.db2.gz KSRWSZCZICUTJK-QJPTWQEYSA-N 0 0 273.296 0.086 10 0 CCAERN CCN1CCO[C@@H](CNc2nc(N)nc(C3CC3)n2)C1 ZINC000312786406 625613752 /nfs/dbraw/zinc/61/37/52/625613752.db2.gz GPSPEVNYEGQMKB-JTQLQIEISA-N 0 0 278.360 0.464 10 0 CCAERN C[C@H](Oc1ccccc1F)C(=O)N1CCOC[C@H]1CO ZINC000168630730 623047382 /nfs/dbraw/zinc/04/73/82/623047382.db2.gz FLAPOGWLPASIHE-WDEREUQCSA-N 0 0 283.299 0.813 10 0 CCAERN COC[C@@]1(C)CC(=O)N(CN2CCC([C@@H](C)O)CC2)C1 ZINC000177147289 623358094 /nfs/dbraw/zinc/35/80/94/623358094.db2.gz AHFXSURZKCXLPP-DOMZBBRYSA-N 0 0 284.400 0.922 10 0 CCAERN CC(C)S(=O)(=O)CCN1CC[C@@H](N2CCOCC2)C1 ZINC000178233522 623698229 /nfs/dbraw/zinc/69/82/29/623698229.db2.gz KSSBFQQBYJDVSO-CYBMUJFWSA-N 0 0 290.429 0.216 10 0 CCAERN O=S(=O)(c1ccc(F)cc1)N1CCOC[C@@H]1CO ZINC000168072156 623752149 /nfs/dbraw/zinc/75/21/49/623752149.db2.gz UCAUHHGBZYNXAQ-JTQLQIEISA-N 0 0 275.301 0.208 10 0 CCAERN Cc1nnc(CCNC(=O)N2C[C@@H](F)C[C@@H]2CO)s1 ZINC000332877644 625713327 /nfs/dbraw/zinc/71/33/27/625713327.db2.gz AOOROFKDOJMZKP-DTWKUNHWSA-N 0 0 288.348 0.503 10 0 CCAERN O=S(=O)(/C=C\c1ccccc1)NC[C@]1(O)CCOC1 ZINC000255377964 624851549 /nfs/dbraw/zinc/85/15/49/624851549.db2.gz LDGWMTFFHFPSKZ-OYVUYXNMSA-N 0 0 283.349 0.728 10 0 CCAERN O=S1(=O)C[C@@H](O)[C@H](NCc2ccc(F)cc2F)C1 ZINC000051017297 624859960 /nfs/dbraw/zinc/85/99/60/624859960.db2.gz YYHPNBDEFSNABF-GHMZBOCLSA-N 0 0 277.292 0.212 10 0 CCAERN COC[C@@H](C)NCc1ccc(S(=O)(=O)N(C)C)o1 ZINC000088539745 624931117 /nfs/dbraw/zinc/93/11/17/624931117.db2.gz KHKCOGFNUQIBKX-SECBINFHSA-N 0 0 276.358 0.654 10 0 CCAERN O=[S@@](Cc1cccc2c1OCCO2)C[C@@H](O)CO ZINC000905174954 634819773 /nfs/dbraw/zinc/81/97/73/634819773.db2.gz KGZXXEULUBWFBD-YPMLDQLKSA-N 0 0 272.322 0.060 10 0 CCAERN CC[C@@H]1OCC[C@@H]1C(=O)NC[C@@](C)(O)CCOC ZINC000230205991 631370002 /nfs/dbraw/zinc/37/00/02/631370002.db2.gz JOWXMTSRSJAONZ-GVXVVHGQSA-N 0 0 259.346 0.705 10 0 CCAERN O=C(c1ccc(-n2cnnc2)nc1)N1CCC(O)CC1 ZINC000223055830 631876073 /nfs/dbraw/zinc/87/60/73/631876073.db2.gz RRTUBONZCCTCPZ-UHFFFAOYSA-N 0 0 273.296 0.259 10 0 CCAERN C[C@@H]1[C@H](C)NC(=O)[C@H](C)N1Cc1ccnc(N(C)C)n1 ZINC000895118785 631951335 /nfs/dbraw/zinc/95/13/35/631951335.db2.gz PAAZNXXSWNSBDA-AXFHLTTASA-N 0 0 277.372 0.640 10 0 CCAERN C[C@H](NC(=O)[C@H]1CN(C)C[C@@H](C)O1)c1cc(=O)[nH][nH]1 ZINC000898879483 633677052 /nfs/dbraw/zinc/67/70/52/633677052.db2.gz PSUVGWOGJXJDEF-KHQFGBGNSA-N 0 0 268.317 0.012 10 0 CCAERN C[C@@H]1CN(C)C[C@H](C(=O)NCC(C)(C)n2ccnc2)O1 ZINC000898910359 633691451 /nfs/dbraw/zinc/69/14/51/633691451.db2.gz OCLGFQNKDBVBCZ-VXGBXAGGSA-N 0 0 280.372 0.454 10 0 CCAERN CNC(=O)N1CCC([C@H]2CCN(C(=O)COC)C2)CC1 ZINC000169752302 635300367 /nfs/dbraw/zinc/30/03/67/635300367.db2.gz QQGVPCDVZSYBTM-LBPRGKRZSA-N 0 0 283.372 0.533 10 0 CCAERN Cc1cc(C(=O)N[C@@H]2C[C@H](O)[C@@H]2n2cccn2)on1 ZINC000909158621 635523007 /nfs/dbraw/zinc/52/30/07/635523007.db2.gz XIEVVXPTFKTJNJ-WCABBAIRSA-N 0 0 262.269 0.284 10 0 CCAERN Cc1cocc1C(=O)N[C@@H]1C[C@@H](O)[C@@H]1n1cccn1 ZINC000909188575 635539188 /nfs/dbraw/zinc/53/91/88/635539188.db2.gz FJODTLLKCMOBNO-IJLUTSLNSA-N 0 0 261.281 0.889 10 0 CCAERN O=C([C@@H](O)CCc1ccccc1)N1CCOC[C@@H]1CO ZINC000912419110 636581065 /nfs/dbraw/zinc/58/10/65/636581065.db2.gz RZYWZVWLHMXELJ-KBPBESRZSA-N 0 0 279.336 0.200 10 0 CCAERN O=C([C@H](O)C1CC1)N1CC[C@@H](n2cc(C3CC3)nn2)C1 ZINC000912942224 636711593 /nfs/dbraw/zinc/71/15/93/636711593.db2.gz WGIFOYCPMKJZRS-DGCLKSJQSA-N 0 0 276.340 0.700 10 0 CCAERN CCc1nnc(NC(=O)Cc2ncn(C)c(=O)c2C)s1 ZINC000222937365 636889078 /nfs/dbraw/zinc/88/90/78/636889078.db2.gz QBKJSWVTJUSIHJ-UHFFFAOYSA-N 0 0 293.352 0.684 10 0 CCAERN CCc1nc(CNC(=O)Cc2nc[nH]c(=O)c2C)cs1 ZINC000222950506 636889709 /nfs/dbraw/zinc/88/97/09/636889709.db2.gz QTQZGUFBQXNDMN-UHFFFAOYSA-N 0 0 292.364 0.956 10 0 CCAERN O=C(NCCO)c1nn2c(c1Br)OCCC2 ZINC000223791428 636908303 /nfs/dbraw/zinc/90/83/03/636908303.db2.gz OXFPUYRDSITULA-UHFFFAOYSA-N 0 0 290.117 0.150 10 0 CCAERN CCCN(CC(=O)[O-])C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000225883362 636958507 /nfs/dbraw/zinc/95/85/07/636958507.db2.gz CIZHJOPTCUHFKT-SNVBAGLBSA-N 0 0 257.334 0.587 10 0 CCAERN O=C(c1ccc(Cn2cccn2)o1)N1CCO[C@@H](CO)C1 ZINC000167448399 636962040 /nfs/dbraw/zinc/96/20/40/636962040.db2.gz 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171531154 /nfs/dbraw/zinc/53/11/54/171531154.db2.gz MGXZWEUHMYIDTO-MNOVXSKESA-N 0 0 250.298 0.912 10 0 CCAERN COc1ccsc1C(=O)N1C[C@H](OC)C[C@H]1CO ZINC000284961022 196165679 /nfs/dbraw/zinc/16/56/79/196165679.db2.gz WPYIPHMECWVVNN-DTWKUNHWSA-N 0 0 271.338 0.979 10 0 CCAERN O=C(CCNC(=O)c1ccccc1)N1CCC(O)CC1 ZINC000035110837 171985264 /nfs/dbraw/zinc/98/52/64/171985264.db2.gz DRNLONWADLIPGI-UHFFFAOYSA-N 0 0 276.336 0.790 10 0 CCAERN CN(Cc1ccsc1)C(=O)C1=NNC(=O)CC1 ZINC000035137142 172004826 /nfs/dbraw/zinc/00/48/26/172004826.db2.gz DFFLXMQCKWHBIR-UHFFFAOYSA-N 0 0 251.311 0.973 10 0 CCAERN CC(=O)NCCNC(=O)[C@@H]1CNc2ccccc2O1 ZINC000035141105 172007771 /nfs/dbraw/zinc/00/77/71/172007771.db2.gz KMXQJNUEJHLMRN-LBPRGKRZSA-N 0 0 263.297 0.112 10 0 CCAERN O=C(Cn1c(=O)oc2ccccc21)N1CCC[C@H](CO)C1 ZINC000035150556 172013851 /nfs/dbraw/zinc/01/38/51/172013851.db2.gz MQMXMUROTQXISX-NSHDSACASA-N 0 0 290.319 0.825 10 0 CCAERN COC(=O)c1ccc(NC(=O)c2c[nH]c(=O)[nH]c2=O)cc1 ZINC000035152584 172014837 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ZINC000035296534 172108545 /nfs/dbraw/zinc/10/85/45/172108545.db2.gz RVKUGWFROAEMEJ-QWRGUYRKSA-N 0 0 254.330 0.794 10 0 CCAERN NNc1ccccc1S(=O)(=O)NCc1cccnc1 ZINC000035354681 172145457 /nfs/dbraw/zinc/14/54/57/172145457.db2.gz NTYRRLLKSAIIPM-UHFFFAOYSA-N 0 0 278.337 0.846 10 0 CCAERN NNc1ccc(S(=O)(=O)NCc2ccccn2)cc1 ZINC000035354617 172145517 /nfs/dbraw/zinc/14/55/17/172145517.db2.gz FVWCNJJCFLFBSA-UHFFFAOYSA-N 0 0 278.337 0.846 10 0 CCAERN NNc1ccc(S(=O)(=O)NCc2cccnc2)cc1 ZINC000035354682 172145645 /nfs/dbraw/zinc/14/56/45/172145645.db2.gz GAVCGTQSVKSPJW-UHFFFAOYSA-N 0 0 278.337 0.846 10 0 CCAERN NC(=O)[C@H]1CCCN1S(=O)(=O)c1cnc(Cl)s1 ZINC000035356636 172147080 /nfs/dbraw/zinc/14/70/80/172147080.db2.gz FBBDWSSNLZUFCG-RXMQYKEDSA-N 0 0 295.773 0.435 10 0 CCAERN Cn1cc(C(=O)c2ccsc2)c(=O)n(C)c1=O ZINC000035369118 172160928 /nfs/dbraw/zinc/16/09/28/172160928.db2.gz FREOBCFFAXJNRA-UHFFFAOYSA-N 0 0 250.279 0.377 10 0 CCAERN COc1ccc(Cl)cc1NC(=O)C[NH2+]CC(=O)[O-] ZINC000035385069 172167433 /nfs/dbraw/zinc/16/74/33/172167433.db2.gz JBPLFDPITIUSFP-UHFFFAOYSA-N 0 0 272.688 0.961 10 0 CCAERN Cc1ccc2nc(C[NH2+]CCC(=O)[O-])cc(=O)n2c1 ZINC000035386251 172167810 /nfs/dbraw/zinc/16/78/10/172167810.db2.gz DTIALGFRKKQKOM-UHFFFAOYSA-N 0 0 261.281 0.567 10 0 CCAERN Cc1ccc(CNC(=O)C[NH2+][C@@H](C)C(=O)[O-])cc1F ZINC000035388238 172170783 /nfs/dbraw/zinc/17/07/83/172170783.db2.gz AHEZOVFZRJBCTE-VIFPVBQESA-N 0 0 268.288 0.813 10 0 CCAERN CO[C@@H]1C[C@@H](CO)N(S(=O)(=O)c2cnc(C)s2)C1 ZINC000285211815 196222503 /nfs/dbraw/zinc/22/25/03/196222503.db2.gz WKSNVRZYGRIYSQ-DTWKUNHWSA-N 0 0 292.382 0.222 10 0 CCAERN CC[C@H](CO)NS(=O)(=O)c1ccc(OC)cc1N ZINC000035599333 172288007 /nfs/dbraw/zinc/28/80/07/172288007.db2.gz UIPLCXRUGMTGJY-MRVPVSSYSA-N 0 0 274.342 0.327 10 0 CCAERN C[C@@H](O)CNS(=O)(=O)c1cc(N)cc(Cl)c1F ZINC000035599580 172288447 /nfs/dbraw/zinc/28/84/47/172288447.db2.gz QRWGGTZERNICQB-RXMQYKEDSA-N 0 0 282.724 0.720 10 0 CCAERN CC[C@@H](CO)NS(=O)(=O)c1ccc(O)c(N)c1 ZINC000035599363 172288648 /nfs/dbraw/zinc/28/86/48/172288648.db2.gz TWFAMDJIEHXKES-ZETCQYMHSA-N 0 0 260.315 0.024 10 0 CCAERN C[C@H](CO)Nc1ccc(S(=O)(=O)N(C)C)cc1N ZINC000035600385 172289193 /nfs/dbraw/zinc/28/91/93/172289193.db2.gz CJJPUZUEODVSSZ-MRVPVSSYSA-N 0 0 273.358 0.312 10 0 CCAERN C[C@H](CO)NS(=O)(=O)N(C)Cc1ccccc1 ZINC000035610974 172297214 /nfs/dbraw/zinc/29/72/14/172297214.db2.gz WRDVPQUBLDWSQV-SNVBAGLBSA-N 0 0 258.343 0.334 10 0 CCAERN Nc1ccc(N[C@H]2CCS(=O)(=O)C2)c2nonc21 ZINC000035675401 172345870 /nfs/dbraw/zinc/34/58/70/172345870.db2.gz BOQCNPOMLXKIGF-LURJTMIESA-N 0 0 268.298 0.404 10 0 CCAERN Cc1ccc(C(=O)N2CCC[C@@](O)(C(N)=O)C2)s1 ZINC000285354346 196259220 /nfs/dbraw/zinc/25/92/20/196259220.db2.gz DPMQEHDBJIWCBJ-LBPRGKRZSA-N 0 0 268.338 0.509 10 0 CCAERN COC(=O)CS(=O)(=O)Cc1cccc(N)c1C ZINC000036336922 172621123 /nfs/dbraw/zinc/62/11/23/172621123.db2.gz OPBRPFUOIRBKDS-UHFFFAOYSA-N 0 0 257.311 0.665 10 0 CCAERN Cn1ccnc1SCCn1cc(N)ccc1=O ZINC000037065957 172929502 /nfs/dbraw/zinc/92/95/02/172929502.db2.gz TUPANBHQZZYJOY-UHFFFAOYSA-N 0 0 250.327 0.956 10 0 CCAERN C[C@@H]1CCC[C@@H](NC(=O)C(=O)NCC(N)=S)C1 ZINC000037256656 173067892 /nfs/dbraw/zinc/06/78/92/173067892.db2.gz QMYIIYICYDGKNV-HTQZYQBOSA-N 0 0 257.359 0.084 10 0 CCAERN Cc1scc(C(=O)N2CCC[C@](O)(C(N)=O)C2)c1C ZINC000285732643 196382496 /nfs/dbraw/zinc/38/24/96/196382496.db2.gz YLFZPZUVYNDNII-CYBMUJFWSA-N 0 0 282.365 0.817 10 0 CCAERN CC[C@@H]1CO[C@@H](C)CN1S(=O)(=O)c1c[nH]nc1N ZINC000037559528 173270257 /nfs/dbraw/zinc/27/02/57/173270257.db2.gz IEUUHZLPEQEAPV-JGVFFNPUSA-N 0 0 274.346 0.180 10 0 CCAERN O=S(=O)(NC1CC(CO)C1)N1CCc2ccccc2C1 ZINC000660146422 414155447 /nfs/dbraw/zinc/15/54/47/414155447.db2.gz FRFNPUBFFDLZAR-UHFFFAOYSA-N 0 0 296.392 0.650 10 0 CCAERN COC(=O)CN1CCN(C(=O)c2cccc(N)c2)CC1 ZINC000037825897 173782037 /nfs/dbraw/zinc/78/20/37/173782037.db2.gz PUJIMXSHCUTQBG-UHFFFAOYSA-N 0 0 277.324 0.200 10 0 CCAERN CNC(=O)c1ccc(CN(C)C(=O)CC(C)=O)cc1 ZINC000037839323 173796183 /nfs/dbraw/zinc/79/61/83/173796183.db2.gz CZCAQEVMLPIBGW-UHFFFAOYSA-N 0 0 262.309 0.984 10 0 CCAERN CN(C)C(=O)CCN1C(=O)c2cccc(N)c2C1=O ZINC000037897950 173825780 /nfs/dbraw/zinc/82/57/80/173825780.db2.gz DBSRKGQLFPECKA-UHFFFAOYSA-N 0 0 261.281 0.343 10 0 CCAERN CCN(CCO)S(=O)(=O)c1c(C)ccc(N)c1C ZINC000037899901 173827861 /nfs/dbraw/zinc/82/78/61/173827861.db2.gz GYUVOGWBHVKFJH-UHFFFAOYSA-N 0 0 272.370 0.889 10 0 CCAERN CCN(CCO)C(=O)c1cccc(C(N)=S)c1 ZINC000037900456 173828839 /nfs/dbraw/zinc/82/88/39/173828839.db2.gz NLNDFIQIBGZZCH-UHFFFAOYSA-N 0 0 252.339 0.775 10 0 CCAERN [NH3+]Cc1cccc(CS(=O)(=O)[N-]c2cnccn2)c1 ZINC000037918654 173854353 /nfs/dbraw/zinc/85/43/53/173854353.db2.gz PXTCHFCGPNVWCL-UHFFFAOYSA-N 0 0 278.337 0.877 10 0 CCAERN CCN(CCC(=O)OC)C(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000038023953 174006141 /nfs/dbraw/zinc/00/61/41/174006141.db2.gz DKALTDYLGZLZHT-SNVBAGLBSA-N 0 0 296.323 0.810 10 0 CCAERN O=S(=O)(NCc1cccc(O)c1)N1CCCC1 ZINC000038032418 174029270 /nfs/dbraw/zinc/02/92/70/174029270.db2.gz CVFOSPVNNQILEI-UHFFFAOYSA-N 0 0 256.327 0.822 10 0 CCAERN COc1ccc(N)cc1CNS(=O)(=O)N(C)C ZINC000038033438 174030587 /nfs/dbraw/zinc/03/05/87/174030587.db2.gz AGTYKICVLZQVQP-UHFFFAOYSA-N 0 0 259.331 0.173 10 0 CCAERN COc1cccc(OC[C@H](O)CNCc2nc(C)no2)c1 ZINC000038034899 174033298 /nfs/dbraw/zinc/03/32/98/174033298.db2.gz DWAJHSXLJSBVHO-LLVKDONJSA-N 0 0 293.323 0.916 10 0 CCAERN Cn1ccnc1CN1CCC([N@@H+]2CCC[C@@H]2C(=O)[O-])CC1 ZINC000038042710 174046181 /nfs/dbraw/zinc/04/61/81/174046181.db2.gz ZKWVMAKLMLRPJG-CYBMUJFWSA-N 0 0 292.383 0.934 10 0 CCAERN CC(C)Cn1c(N)c(NC[C@@H]2CCCOC2)c(=O)[nH]c1=O ZINC000038046220 174054670 /nfs/dbraw/zinc/05/46/70/174054670.db2.gz SDYGUWYLDWRCHV-JTQLQIEISA-N 0 0 296.371 0.613 10 0 CCAERN CS(=O)(=O)CCCNc1ccccc1S(N)(=O)=O ZINC000038048366 174059460 /nfs/dbraw/zinc/05/94/60/174059460.db2.gz BKZQCSJNBASPMN-UHFFFAOYSA-N 0 0 292.382 0.181 10 0 CCAERN O=c1nc(C[NH2+]C[C@@H]2COCCO2)[n-]c2ccsc21 ZINC000038061882 174073353 /nfs/dbraw/zinc/07/33/53/174073353.db2.gz YIJQDJLJACXEFR-MRVPVSSYSA-N 0 0 281.337 0.902 10 0 CCAERN COc1ccc(C(=O)NC[C@H]2COCCO2)cc1N ZINC000038062400 174073562 /nfs/dbraw/zinc/07/35/62/174073562.db2.gz PEJVGERUXRKWFX-JTQLQIEISA-N 0 0 266.297 0.423 10 0 CCAERN Nc1cc(C(=O)NC[C@@H]2COCCO2)n(C2CC2)c1 ZINC000038062433 174073989 /nfs/dbraw/zinc/07/39/89/174073989.db2.gz QJQUCDPGWHYBQD-LLVKDONJSA-N 0 0 265.313 0.550 10 0 CCAERN CN(C)C(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)nn1 ZINC000038103005 174118809 /nfs/dbraw/zinc/11/88/09/174118809.db2.gz DAWMNZRNHIVCNC-SECBINFHSA-N 0 0 282.731 0.823 10 0 CCAERN O=C(N[C@H]1C=CS(=O)(=O)C1)N1CCCCCC1 ZINC000040166818 174198231 /nfs/dbraw/zinc/19/82/31/174198231.db2.gz YSJLSRCBHYVLJA-JTQLQIEISA-N 0 0 258.343 0.883 10 0 CCAERN C[C@H](N[C@@H]1CCOC1=O)C(=O)N1CCCCCC1 ZINC000040176571 174201727 /nfs/dbraw/zinc/20/17/27/174201727.db2.gz MGNGDOWGDJWFOA-WDEREUQCSA-N 0 0 254.330 0.683 10 0 CCAERN COCc1c(C(=O)NCCO)nnn1-c1ccc(C)cc1 ZINC000040179604 174202957 /nfs/dbraw/zinc/20/29/57/174202957.db2.gz KUJGZJFHSMQZTB-UHFFFAOYSA-N 0 0 290.323 0.444 10 0 CCAERN C[C@@H](O)c1nc2ccccc2n1CC(=O)N1CCOCC1 ZINC000040225104 174207833 /nfs/dbraw/zinc/20/78/33/174207833.db2.gz ZONXJGHRASZQFI-LLVKDONJSA-N 0 0 289.335 0.948 10 0 CCAERN COC(=O)[C@H]1CCCN1C(=O)c1cc(N)cc(N)c1 ZINC000040303293 174225652 /nfs/dbraw/zinc/22/56/52/174225652.db2.gz VRFJSWLHHRSDQN-LLVKDONJSA-N 0 0 263.297 0.629 10 0 CCAERN COC[C@H](C)N(C)S(=O)(=O)c1ccc(N)cc1OC ZINC000040330652 174239598 /nfs/dbraw/zinc/23/95/98/174239598.db2.gz OPFMFGRQKUVAIP-VIFPVBQESA-N 0 0 288.369 0.933 10 0 CCAERN COCCN(CCOC)c1ncnc(-n2ccnc2)c1N ZINC000040752085 174395821 /nfs/dbraw/zinc/39/58/21/174395821.db2.gz RZBXEQHXIBIOFX-UHFFFAOYSA-N 0 0 292.343 0.344 10 0 CCAERN CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC(F)(F)CN2)C1 ZINC000662702623 414743534 /nfs/dbraw/zinc/74/35/34/414743534.db2.gz AKYCJUZIRWKQFK-NXEZZACHSA-N 0 0 261.316 0.584 10 0 CCAERN CO[C@@H]1CCCN(C(=O)[C@H]2NCCO[C@@H]2C)CC1 ZINC000662834649 414828819 /nfs/dbraw/zinc/82/88/19/414828819.db2.gz HZVRBRVFTPBKOI-UTUOFQBUSA-N 0 0 256.346 0.391 10 0 CCAERN CCC(CC)N(CCO)C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000042508866 174763583 /nfs/dbraw/zinc/76/35/83/174763583.db2.gz SWZHXMVUCFSFNN-JTQLQIEISA-N 0 0 277.386 0.431 10 0 CCAERN COC[C@H](O)CN(C)c1ccc(C(N)=S)cc1F ZINC000042526321 174776278 /nfs/dbraw/zinc/77/62/78/174776278.db2.gz FGHYFZVXWWKBRG-SECBINFHSA-N 0 0 272.345 0.903 10 0 CCAERN CNC(=O)[C@@H](C)NCc1cc(C(N)=O)ccc1F ZINC000042569950 174799814 /nfs/dbraw/zinc/79/98/14/174799814.db2.gz FXFNJTURJHVORL-SSDOTTSWSA-N 0 0 253.277 0.149 10 0 CCAERN COC(=O)[C@H](C)CN(C)c1ccc(C(N)=S)cn1 ZINC000042707740 174850468 /nfs/dbraw/zinc/85/04/68/174850468.db2.gz YCVGVZYIKLPPHX-MRVPVSSYSA-N 0 0 267.354 0.961 10 0 CCAERN Nc1cnn(C[C@@H](O)CN(CC(F)(F)F)C2CC2)c1 ZINC000042738551 174860816 /nfs/dbraw/zinc/86/08/16/174860816.db2.gz TWMKAFUIVBLKRL-JTQLQIEISA-N 0 0 278.278 0.853 10 0 CCAERN O=C1NC[C@@H](COc2cc3c(cc2CO)OCO3)O1 ZINC000042876813 174900618 /nfs/dbraw/zinc/90/06/18/174900618.db2.gz LPDAHRIOFASPFJ-QMMMGPOBSA-N 0 0 267.237 0.395 10 0 CCAERN C[C@]1(C(=O)NC[C@@H](C(=O)[O-])C2CCC2)CCC[NH2+]1 ZINC000663280901 415037421 /nfs/dbraw/zinc/03/74/21/415037421.db2.gz USEQYYGBYGDINI-ZWNOBZJWSA-N 0 0 254.330 0.746 10 0 CCAERN COCCOCC(=O)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000331046904 292570832 /nfs/dbraw/zinc/57/08/32/292570832.db2.gz VBQBSKBYINWWBD-SNVBAGLBSA-N 0 0 285.262 0.565 10 0 CCAERN CN(CCCC(=O)[O-])C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000044560088 175204301 /nfs/dbraw/zinc/20/43/01/175204301.db2.gz CYSZPNMOCLSXCR-LLVKDONJSA-N 0 0 271.361 0.834 10 0 CCAERN COc1ccc([C@H]2NCCNC2=O)c(OC)c1OC ZINC000051924936 175526953 /nfs/dbraw/zinc/52/69/53/175526953.db2.gz IIXXSNDFKGFLDP-SNVBAGLBSA-N 0 0 266.297 0.473 10 0 CCAERN CO[C@@H]1CS(=O)(=O)C[C@H]1Nc1cc(C(C)C)ncn1 ZINC000664268972 415320593 /nfs/dbraw/zinc/32/05/93/415320593.db2.gz MQHMVUFUXDTEFX-GHMZBOCLSA-N 0 0 285.369 0.824 10 0 CCAERN CN1C[C@H](CNc2cnn(C)c(=O)c2Cl)CC1=O ZINC000664460272 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/nfs/dbraw/zinc/06/38/04/198063804.db2.gz OANYZARYEFKBHZ-ZETCQYMHSA-N 0 0 286.129 0.838 10 0 CCAERN C[C@@H]1C(=O)NCCCN1C(=O)NCCCc1cnn(C)c1 ZINC000191345778 351754824 /nfs/dbraw/zinc/75/48/24/351754824.db2.gz FJYGEPBAZRLCIU-LLVKDONJSA-N 0 0 293.371 0.273 10 0 CCAERN C[C@@H]1OCCC[C@@H]1C(=O)N[C@]1(C)CCS(=O)(=O)C1 ZINC000191673274 351768325 /nfs/dbraw/zinc/76/83/25/351768325.db2.gz CGPQQUREHGBMEC-JBLDHEPKSA-N 0 0 275.370 0.495 10 0 CCAERN O=C(NCC1CC1)C(=O)N1CCN2CCCC[C@H]2C1 ZINC000191793911 351773637 /nfs/dbraw/zinc/77/36/37/351773637.db2.gz IJIRKLNWPCPJBC-LBPRGKRZSA-N 0 0 265.357 0.209 10 0 CCAERN CCCc1cc(NC(=O)[C@H]2C[C@H](OC)C[NH2+]2)n(C)n1 ZINC000193440325 351827868 /nfs/dbraw/zinc/82/78/68/351827868.db2.gz NXWWPXDCNYBRPK-WDEREUQCSA-N 0 0 266.345 0.688 10 0 CCAERN Cc1nc(C(=O)N2CCN3CCCC[C@@H]3C2)no1 ZINC000123054135 187068630 /nfs/dbraw/zinc/06/86/30/187068630.db2.gz KUUBNJVJDZEDAZ-SNVBAGLBSA-N 0 0 250.302 0.688 10 0 CCAERN O=C(CNC(=O)c1ccccc1)N1CC[C@H](CCO)C1 ZINC000123058137 187068741 /nfs/dbraw/zinc/06/87/41/187068741.db2.gz APHNSBJIPPSXBS-GFCCVEGCSA-N 0 0 276.336 0.647 10 0 CCAERN O=C([C@@H]1CCCCO1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000123078138 187069648 /nfs/dbraw/zinc/06/96/48/187069648.db2.gz XYRSROMHZKPUEW-OLZOCXBDSA-N 0 0 279.340 0.680 10 0 CCAERN CN(C)C(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccccc1 ZINC000122453063 187032574 /nfs/dbraw/zinc/03/25/74/187032574.db2.gz ZMAMPNGNYWFJCW-GFCCVEGCSA-N 0 0 289.335 0.704 10 0 CCAERN CN(C)S(=O)(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000122476016 187034575 /nfs/dbraw/zinc/03/45/75/187034575.db2.gz IYIBPBVRSFOVTG-UHFFFAOYSA-N 0 0 258.347 0.396 10 0 CCAERN CCC[C@H]1C(=O)NCCN1C(=O)C[C@@H](O)C(C)C ZINC000122601454 187040883 /nfs/dbraw/zinc/04/08/83/187040883.db2.gz LBVVCVHXSYVOQG-WDEREUQCSA-N 0 0 256.346 0.521 10 0 CCAERN COC(=O)C1CCN(C(=O)[C@H]2CC[C@@H](C)O2)CC1 ZINC000122630389 187042534 /nfs/dbraw/zinc/04/25/34/187042534.db2.gz PYQCRRZANBCGKZ-MWLCHTKSSA-N 0 0 255.314 0.966 10 0 CCAERN COC(=O)C1CCN(C(=O)[C@@H]2CC[C@@H](C)O2)CC1 ZINC000122630840 187042547 /nfs/dbraw/zinc/04/25/47/187042547.db2.gz PYQCRRZANBCGKZ-KOLCDFICSA-N 0 0 255.314 0.966 10 0 CCAERN COC(=O)[C@@H]1C[C@@H](OC)CN1C[C@@H]1CCC=CO1 ZINC000193953762 351849547 /nfs/dbraw/zinc/84/95/47/351849547.db2.gz PGFFRGWQUFSRJW-TUAOUCFPSA-N 0 0 255.314 0.941 10 0 CCAERN COC(=O)[C@@H]1C[C@H](OC)CN1C[C@@H]1CCC=CO1 ZINC000193953775 351849851 /nfs/dbraw/zinc/84/98/51/351849851.db2.gz PGFFRGWQUFSRJW-SRVKXCTJSA-N 0 0 255.314 0.941 10 0 CCAERN C[C@@H]1CN(C(=O)C2CCC(O)CC2)C[C@@H]1N1CCOCC1 ZINC000194362178 351865883 /nfs/dbraw/zinc/86/58/83/351865883.db2.gz RLLVUGGTUCUPIS-URGYJCLVSA-N 0 0 296.411 0.717 10 0 CCAERN Cn1nnc(CN2CCC(Nc3cccnn3)CC2)n1 ZINC000194446638 351871343 /nfs/dbraw/zinc/87/13/43/351871343.db2.gz VNVIZGZYCHWNGM-UHFFFAOYSA-N 0 0 274.332 0.077 10 0 CCAERN Cc1cnn(CCNC(=O)C(=O)Nc2ncc(C)s2)c1 ZINC000123767137 187107914 /nfs/dbraw/zinc/10/79/14/187107914.db2.gz XIKBMSLNKWQBKF-UHFFFAOYSA-N 0 0 293.352 0.711 10 0 CCAERN CN1CCO[C@@H](CNC(=O)COC2CCCCC2)C1 ZINC000194609928 351876519 /nfs/dbraw/zinc/87/65/19/351876519.db2.gz HWAGAIOLFOGPKF-ZDUSSCGKSA-N 0 0 270.373 0.783 10 0 CCAERN CC(=O)N1CCC(n2cnc3c2cc[nH]c3=O)CC1 ZINC000200525475 351923383 /nfs/dbraw/zinc/92/33/83/351923383.db2.gz HNHQQQAXWLMOSF-UHFFFAOYSA-N 0 0 260.297 0.908 10 0 CCAERN CS(=O)(=O)N1CCNC[C@@H]1c1ccccc1F ZINC000215832957 351937869 /nfs/dbraw/zinc/93/78/69/351937869.db2.gz QAEKPMOWDWKIDR-LLVKDONJSA-N 0 0 258.318 0.732 10 0 CCAERN CO[C@H](C)CS(=O)(=O)N1CCN2CCCC[C@@H]2C1 ZINC000195098194 351896826 /nfs/dbraw/zinc/89/68/26/351896826.db2.gz ZJHSXTAFTWWPCO-VXGBXAGGSA-N 0 0 276.402 0.521 10 0 CCAERN CCc1nnc(CN(C)C[C@@H](C)C(=O)OC)n1C ZINC000195431671 351912734 /nfs/dbraw/zinc/91/27/34/351912734.db2.gz GXEKVIMYHSOWBM-SECBINFHSA-N 0 0 254.334 0.618 10 0 CCAERN COC(=O)CNC(=O)CN1CCCC[C@H]1c1nccs1 ZINC000195439318 351912812 /nfs/dbraw/zinc/91/28/12/351912812.db2.gz AYHGVRDJAUWTEM-JTQLQIEISA-N 0 0 297.380 0.959 10 0 CCAERN Nc1nnc(Cl)cc1C(=O)NC1CCOCC1 ZINC000217758801 351950498 /nfs/dbraw/zinc/95/04/98/351950498.db2.gz ZNPLDOADUHCDDW-UHFFFAOYSA-N 0 0 256.693 0.621 10 0 CCAERN CCOC(=O)[C@H](N)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000223960167 351993303 /nfs/dbraw/zinc/99/33/03/351993303.db2.gz KVUMCDNVOSYMBY-ZYHUDNBSSA-N 0 0 278.308 0.517 10 0 CCAERN CN1CCO[C@@H](CNc2ncnc(N)c2Cl)C1 ZINC000227849023 352060968 /nfs/dbraw/zinc/06/09/68/352060968.db2.gz YJPKIKOMXPECEK-ZETCQYMHSA-N 0 0 257.725 0.455 10 0 CCAERN CCCCOC[C@H](O)CN1CCOC[C@@H]1C(=O)OC ZINC000227913157 352062742 /nfs/dbraw/zinc/06/27/42/352062742.db2.gz RBMVADLDCWXEQD-VXGBXAGGSA-N 0 0 275.345 0.038 10 0 CCAERN Cc1[nH]c(=S)sc1CC(=O)N1CCO[C@@H](CO)C1 ZINC000225972975 352018706 /nfs/dbraw/zinc/01/87/06/352018706.db2.gz WYJOPIPQYOSVCE-MRVPVSSYSA-N 0 0 288.394 0.502 10 0 CCAERN CCn1cnnc1CNC[C@@H](O)COCc1ccco1 ZINC000230755166 352119619 /nfs/dbraw/zinc/11/96/19/352119619.db2.gz GLLYRYFIUYENEP-LLVKDONJSA-N 0 0 280.328 0.558 10 0 CCAERN COC(=O)c1cc(N2C[C@H](C)C[C@@H](O)C2)ncn1 ZINC000603391032 363107039 /nfs/dbraw/zinc/10/70/39/363107039.db2.gz PUODTKABVQRNIZ-RKDXNWHRSA-N 0 0 251.286 0.470 10 0 CCAERN C[C@@H]1CN(C(=O)C(C)(C)Br)C[C@@H](CO)O1 ZINC000229951353 352098228 /nfs/dbraw/zinc/09/82/28/352098228.db2.gz QXDQRVVQFPMJBR-SFYZADRCSA-N 0 0 280.162 0.768 10 0 CCAERN CNc1cnc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cn1 ZINC000230092914 352102038 /nfs/dbraw/zinc/10/20/38/352102038.db2.gz INPHJBRGRMYLCZ-RKDXNWHRSA-N 0 0 250.302 0.768 10 0 CCAERN CNc1cnc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cn1 ZINC000230092909 352102178 /nfs/dbraw/zinc/10/21/78/352102178.db2.gz INPHJBRGRMYLCZ-IUCAKERBSA-N 0 0 250.302 0.768 10 0 CCAERN COC[C@H](C)OC[C@@H](O)CN1CCn2ccnc2C1 ZINC000234724141 352167445 /nfs/dbraw/zinc/16/74/45/352167445.db2.gz BWRSKBNABCTWMS-RYUDHWBXSA-N 0 0 269.345 0.111 10 0 CCAERN O=C(CNC(=O)c1ccco1)NC[C@@H]1CC[C@H](O)C1 ZINC000236560778 352198244 /nfs/dbraw/zinc/19/82/44/352198244.db2.gz MEHLKIBRJWDWHO-ZJUUUORDSA-N 0 0 266.297 0.287 10 0 CCAERN C[C@@H](Nc1ncnc(N)c1Br)C(N)=O ZINC000235218098 352181203 /nfs/dbraw/zinc/18/12/03/352181203.db2.gz RKFJVTWLLGKOBB-GSVOUGTGSA-N 0 0 260.095 0.107 10 0 CCAERN O=C(c1cnn2ccncc12)N1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000231910797 352138305 /nfs/dbraw/zinc/13/83/05/352138305.db2.gz DBHYZZHOEIRFFC-UFGOTCBOSA-N 0 0 272.308 0.572 10 0 CCAERN COc1cccc(O[C@@H](C)CNC(=O)[C@@H]2COCCN2)c1 ZINC000237290832 352258811 /nfs/dbraw/zinc/25/88/11/352258811.db2.gz UAZURVMQKJGUJD-FZMZJTMJSA-N 0 0 294.351 0.567 10 0 CCAERN CC(=O)N(CC(=O)OC(C)(C)C)C[C@@H]1C[NH2+]CCO1 ZINC000238856605 352302303 /nfs/dbraw/zinc/30/23/03/352302303.db2.gz WLRWDKYHGFEGTN-NSHDSACASA-N 0 0 272.345 0.165 10 0 CCAERN COCCN(C)S(=O)(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000246177045 352351516 /nfs/dbraw/zinc/35/15/16/352351516.db2.gz PMWSHGKKWNQVNU-NEPJUHHUSA-N 0 0 292.401 0.453 10 0 CCAERN Cn1nc(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)ccc1=O ZINC000246190675 352352718 /nfs/dbraw/zinc/35/27/18/352352718.db2.gz TUCFXLXWLCLWDP-ZWKOPEQDSA-N 0 0 289.335 0.468 10 0 CCAERN O=S(=O)(C[C@@H]1CCOC1)N1CCN2CCCC[C@@H]2C1 ZINC000246010481 352344681 /nfs/dbraw/zinc/34/46/81/352344681.db2.gz HSSPMDWBPMUWPT-CHWSQXEVSA-N 0 0 288.413 0.523 10 0 CCAERN CCc1nc2n(n1)C[C@H](NC(=O)[C@@H]1CC[C@@H](C)O1)CC2 ZINC000246047638 352345672 /nfs/dbraw/zinc/34/56/72/352345672.db2.gz PSIGGYMTBMFWNC-MXWKQRLJSA-N 0 0 278.356 0.839 10 0 CCAERN CC(=O)N1CC[C@H](CN(C)C(=O)[C@H]2CC[C@H](C)O2)C1 ZINC000246514736 352370806 /nfs/dbraw/zinc/37/08/06/352370806.db2.gz KPFSQYGZBNRJFX-CYZMBNFOSA-N 0 0 268.357 0.881 10 0 CCAERN C[C@H](CN1CCN2CCCC[C@H]2C1)CS(C)(=O)=O ZINC000246586946 352374740 /nfs/dbraw/zinc/37/47/40/352374740.db2.gz PBFDOCAFQMQVTN-OLZOCXBDSA-N 0 0 274.430 0.837 10 0 CCAERN CN1CCO[C@H](CNC(=O)[C@H]2Cc3cc(F)ccc3O2)C1 ZINC000247126097 352400175 /nfs/dbraw/zinc/40/01/75/352400175.db2.gz WWDONIANIVERGO-TZMCWYRMSA-N 0 0 294.326 0.576 10 0 CCAERN Cc1ccc(C(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)n1C ZINC000246711121 352380739 /nfs/dbraw/zinc/38/07/39/352380739.db2.gz KRRPCFZVKPKLPM-STQMWFEESA-N 0 0 279.384 0.861 10 0 CCAERN Cn1cc([C@H]2CCN(S(=O)(=O)C[C@H]3CCCO3)C2)cn1 ZINC000246974483 352390759 /nfs/dbraw/zinc/39/07/59/352390759.db2.gz KJYNWNYBVHWEJE-WCQYABFASA-N 0 0 299.396 0.718 10 0 CCAERN C[C@H](CN1CCOCC1)NC(=O)NC[C@H]1CCCC[C@H]1O ZINC000246958103 352391248 /nfs/dbraw/zinc/39/12/48/352391248.db2.gz FYCYRBFHJFRQQG-MGPQQGTHSA-N 0 0 299.415 0.557 10 0 CCAERN CCOCCN1CCN(CC(=O)N(C)C)C[C@H]1C ZINC000247009749 352392628 /nfs/dbraw/zinc/39/26/28/352392628.db2.gz BZTJRACROPMCDZ-GFCCVEGCSA-N 0 0 257.378 0.117 10 0 CCAERN CCN(C)S(=O)(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000247012013 352392734 /nfs/dbraw/zinc/39/27/34/352392734.db2.gz LHBOIZSZPDMUDR-NWDGAFQWSA-N 0 0 276.402 0.810 10 0 CCAERN CCCNC(=O)[C@H](C)N1CCN(CCOC)[C@@H](C)C1 ZINC000247026106 352393531 /nfs/dbraw/zinc/39/35/31/352393531.db2.gz CXLRIIWDAZGFNS-STQMWFEESA-N 0 0 271.405 0.554 10 0 CCAERN O=C(N[C@H]1CCO[C@@]2(CCSC2)C1)[C@@H]1CCNC(=O)C1 ZINC000247024252 352393868 /nfs/dbraw/zinc/39/38/68/352393868.db2.gz ZNLIMVBGXNKWQR-SUNKGSAMSA-N 0 0 298.408 0.684 10 0 CCAERN C[C@H]([C@H](C)S(C)(=O)=O)N(C)C[C@@H](O)COC(C)(C)C ZINC000247483144 352417293 /nfs/dbraw/zinc/41/72/93/352417293.db2.gz SUWWPWUUMJSIMD-GRYCIOLGSA-N 0 0 295.445 0.916 10 0 CCAERN COCCS(=O)(=O)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000247790111 352425828 /nfs/dbraw/zinc/42/58/28/352425828.db2.gz ZADREKMTPTUIPL-NWDGAFQWSA-N 0 0 287.385 0.742 10 0 CCAERN CN1CCO[C@@H]2CN(C(=O)c3ccncc3F)C[C@@H]21 ZINC000248052113 352429996 /nfs/dbraw/zinc/42/99/96/352429996.db2.gz RIRZWANUMQROMX-NWDGAFQWSA-N 0 0 265.288 0.376 10 0 CCAERN CO[C@H](C)c1nc(CN2C[C@@H](O)C[C@@H]2CO)cs1 ZINC000248399315 352439067 /nfs/dbraw/zinc/43/90/67/352439067.db2.gz VRJWGUMJSHPZLU-IEBDPFPHSA-N 0 0 272.370 0.778 10 0 CCAERN COCCN1CCN(C(=O)CC[C@H](C)OC)C[C@@H]1C ZINC000248414627 352440350 /nfs/dbraw/zinc/44/03/50/352440350.db2.gz HDTHRECSYOIOTG-STQMWFEESA-N 0 0 272.389 0.981 10 0 CCAERN Cc1nnc(C(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)s1 ZINC000248654357 352452172 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CCCCOC[C@H](O)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC000193362531 351824952 /nfs/dbraw/zinc/82/49/52/351824952.db2.gz VMGKWAFNCWTYJH-BXUZGUMPSA-N 0 0 284.356 0.885 10 0 CCAERN CC(C)(C)OC[C@@H](O)CN(CCO)CC(F)F ZINC000193389483 351825586 /nfs/dbraw/zinc/82/55/86/351825586.db2.gz XSCKSIPATUNTEY-VIFPVBQESA-N 0 0 255.305 0.722 10 0 CCAERN CS(=O)(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000193437037 351827724 /nfs/dbraw/zinc/82/77/24/351827724.db2.gz JBSSOLUYBGTKGI-CABZTGNLSA-N 0 0 290.335 0.960 10 0 CCAERN COc1c(CN(CCO)CC(F)F)c(C)nn1C ZINC000193026309 351808187 /nfs/dbraw/zinc/80/81/87/351808187.db2.gz PBXDWPAQRTYABA-UHFFFAOYSA-N 0 0 263.288 0.797 10 0 CCAERN Cc1nc(C(=O)N2CCN3CCCC[C@H]3C2)no1 ZINC000123054386 187068959 /nfs/dbraw/zinc/06/89/59/187068959.db2.gz KUUBNJVJDZEDAZ-JTQLQIEISA-N 0 0 250.302 0.688 10 0 CCAERN CC(=O)N[C@@H]1CCCN(C(=O)NCc2cnn(C)c2C)C1 ZINC000122369427 187029142 /nfs/dbraw/zinc/02/91/42/187029142.db2.gz HCUSRBHXAYCVKI-CYBMUJFWSA-N 0 0 293.371 0.539 10 0 CCAERN C[C@H](CC1CC1)NS(=O)(=O)[C@@H](C)C(=O)N(C)C ZINC000193918820 351849163 /nfs/dbraw/zinc/84/91/63/351849163.db2.gz FXTPKLIRRFQREG-BDAKNGLRSA-N 0 0 262.375 0.571 10 0 CCAERN C[C@@H]1CN(C(=O)C2CCC(O)CC2)C[C@H]1N1CCOCC1 ZINC000194362207 351865519 /nfs/dbraw/zinc/86/55/19/351865519.db2.gz RLLVUGGTUCUPIS-XSCHDIRWSA-N 0 0 296.411 0.717 10 0 CCAERN CC(C)COC(=O)[C@H](C)NC(=O)[C@@H]1CCCCC(=O)N1 ZINC000194430232 351869556 /nfs/dbraw/zinc/86/95/56/351869556.db2.gz HHOAEGTWPZEXQW-QWRGUYRKSA-N 0 0 284.356 0.749 10 0 CCAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)NCCCCO)CC2 ZINC000194455517 351871153 /nfs/dbraw/zinc/87/11/53/351871153.db2.gz RBCLNCWCRRIXMB-NSHDSACASA-N 0 0 295.387 0.788 10 0 CCAERN CN1CCO[C@@H](CNC(=O)CCOCC(F)(F)F)C1 ZINC000194613084 351876830 /nfs/dbraw/zinc/87/68/30/351876830.db2.gz CJCCMYAXDPJNBV-VIFPVBQESA-N 0 0 284.278 0.402 10 0 CCAERN CN1CCO[C@H](CNC(=O)c2cnc3ccccc3n2)C1 ZINC000194613012 351876987 /nfs/dbraw/zinc/87/69/87/351876987.db2.gz QVLPUYXQKOQMKO-LLVKDONJSA-N 0 0 286.335 0.690 10 0 CCAERN COc1ccc(C(=O)NC[C@H]2CN(C)CCO2)c(OC)c1 ZINC000194624779 351877960 /nfs/dbraw/zinc/87/79/60/351877960.db2.gz NTMBMWRDDFAMMT-LBPRGKRZSA-N 0 0 294.351 0.764 10 0 CCAERN COC(=O)C[C@@H]1CN(C(=O)[C@@H]2OCC[C@H]2C)CCO1 ZINC000211140869 351929062 /nfs/dbraw/zinc/92/90/62/351929062.db2.gz GEBUMAUXOFIEFB-CKYFFXLPSA-N 0 0 271.313 0.202 10 0 CCAERN CC[NH+]1CCN(c2ccc(C([O-])=CC(N)=O)cc2)CC1 ZINC000211474588 351929082 /nfs/dbraw/zinc/92/90/82/351929082.db2.gz VRIABVYCVOHZIP-UHFFFAOYSA-N 0 0 275.352 0.887 10 0 CCAERN CC(C)n1nnnc1CNc1ccc(C(N)=O)cc1 ZINC000194988929 351892735 /nfs/dbraw/zinc/89/27/35/351892735.db2.gz AIZZFSRDAXOORL-UHFFFAOYSA-N 0 0 260.301 0.965 10 0 CCAERN CCCNC(=O)NC(=O)CN1CCC(c2cc[nH]n2)CC1 ZINC000195506413 351916202 /nfs/dbraw/zinc/91/62/02/351916202.db2.gz DNQCPABNLQRRGJ-UHFFFAOYSA-N 0 0 293.371 0.825 10 0 CCAERN CN1CCO[C@@H](CNC(=O)c2c(O)cccc2O)C1 ZINC000220235411 351971793 /nfs/dbraw/zinc/97/17/93/351971793.db2.gz BCDCMMPXKFMISS-VIFPVBQESA-N 0 0 266.297 0.158 10 0 CCAERN CC(=O)[C@H](NC(=O)CN1CC[C@@H](C)[C@@H](O)C1)C(C)C ZINC000221455313 351978975 /nfs/dbraw/zinc/97/89/75/351978975.db2.gz DWAHGSHQRPNKBN-SCDSUCTJSA-N 0 0 270.373 0.419 10 0 CCAERN O=C(CNC(=O)c1ccco1)N[C@@H]1CCCC[C@H]1CO ZINC000226673159 352030938 /nfs/dbraw/zinc/03/09/38/352030938.db2.gz RNQHULXVVBLULB-WDEREUQCSA-N 0 0 280.324 0.677 10 0 CCAERN Cc1ccc([C@H]([NH3+])C(=O)N(C)[C@@H](C)C(=O)[O-])cc1 ZINC000230800170 352120293 /nfs/dbraw/zinc/12/02/93/352120293.db2.gz XPHHNUCOXUPDKZ-ONGXEEELSA-N 0 0 250.298 0.926 10 0 CCAERN COC(=O)c1nc(N2CCCN(C)C(=O)C2)sc1C ZINC000228879385 352085271 /nfs/dbraw/zinc/08/52/71/352085271.db2.gz TZRAHTFOMVBLLD-UHFFFAOYSA-N 0 0 283.353 0.907 10 0 CCAERN CO[C@@]1(C)CCCN(C(=O)C2=NNC(=O)CC2)C1 ZINC000230280730 352111047 /nfs/dbraw/zinc/11/10/47/352111047.db2.gz OKIRIAQUTIVVDS-LBPRGKRZSA-N 0 0 253.302 0.280 10 0 CCAERN Cc1cnc([C@H](C)NCC(=O)N2CCOCC2)o1 ZINC000230643300 352116957 /nfs/dbraw/zinc/11/69/57/352116957.db2.gz RJGVAOLYCKZCQE-JTQLQIEISA-N 0 0 253.302 0.492 10 0 CCAERN COC(=O)c1cnc(NC[C@H]2CCC[C@H]2O)cn1 ZINC000234582424 352161932 /nfs/dbraw/zinc/16/19/32/352161932.db2.gz CQSUCTWJASTWEL-PSASIEDQSA-N 0 0 251.286 0.836 10 0 CCAERN C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH2+]C2)[C@H]1C(=O)[O-] ZINC000235373906 352182603 /nfs/dbraw/zinc/18/26/03/352182603.db2.gz RASGTLLFEJMLCR-OUAUKWLOSA-N 0 0 254.330 0.698 10 0 CCAERN Cc1cc(N2CC[C@H](N3CCCO[C@@H](C)C3)C2=O)n(C)n1 ZINC000245468404 352325540 /nfs/dbraw/zinc/32/55/40/352325540.db2.gz ZYIYZILHNVYMTE-STQMWFEESA-N 0 0 292.383 0.945 10 0 CCAERN CC[C@H](C)C[S@](=O)CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000245794369 352338532 /nfs/dbraw/zinc/33/85/32/352338532.db2.gz XSFFUWDKSIMWCZ-QQKBFRNYSA-N 0 0 288.413 0.505 10 0 CCAERN Cn1cc(N2CC[C@H](N3CCC[C@@](C)(O)C3)C2=O)cn1 ZINC000245891393 352340484 /nfs/dbraw/zinc/34/04/84/352340484.db2.gz JQHHIHXNYGCYTA-GXTWGEPZSA-N 0 0 278.356 0.372 10 0 CCAERN CO[C@@H]1CCCN(C(=O)NC[C@@H]2CN(C)CCO2)C1 ZINC000246351535 352362541 /nfs/dbraw/zinc/36/25/41/352362541.db2.gz DBHQFFFIQUCWSO-VXGBXAGGSA-N 0 0 271.361 0.137 10 0 CCAERN CCO[C@@H]1C[C@@H]1C(=O)N[C@H]1CCc2nc(CC)nn2C1 ZINC000246808902 352384361 /nfs/dbraw/zinc/38/43/61/352384361.db2.gz UPOODXMKBMCNIM-GARJFASQSA-N 0 0 278.356 0.697 10 0 CCAERN C[C@@H]1CCCC[C@H]1NC(=O)CN1CCO[C@@H](C[NH+](C)C)C1 ZINC000247057213 352395930 /nfs/dbraw/zinc/39/59/30/352395930.db2.gz FQFYGCXBUUSQNQ-QLFBSQMISA-N 0 0 297.443 0.944 10 0 CCAERN CCN(CC)C(=O)[C@@H](C)N1CCN(CCOC)[C@@H](C)C1 ZINC000247438453 352414893 /nfs/dbraw/zinc/41/48/93/352414893.db2.gz ZNDGZVHRDQETON-UONOGXRCSA-N 0 0 285.432 0.896 10 0 CCAERN C[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(C)C2)C[C@H]1n1ccnc1 ZINC000247548552 352420672 /nfs/dbraw/zinc/42/06/72/352420672.db2.gz KIBXYLXFEDQXJM-FRRDWIJNSA-N 0 0 290.367 0.771 10 0 CCAERN COCCS(=O)(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000248061127 352429938 /nfs/dbraw/zinc/42/99/38/352429938.db2.gz YLFKQDZSRWXVPX-NWDGAFQWSA-N 0 0 277.386 0.590 10 0 CCAERN CCO[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CNC(=O)C2)C12CCC2 ZINC000248282477 352435354 /nfs/dbraw/zinc/43/53/54/352435354.db2.gz VVZAZAHSBLUDEL-SDDRHHMPSA-N 0 0 280.368 0.929 10 0 CCAERN CC[C@H](C)[C@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000247198882 352403718 /nfs/dbraw/zinc/40/37/18/352403718.db2.gz ZXGIYLPYSXJYHW-MJDLHHQISA-N 0 0 297.399 0.999 10 0 CCAERN Cc1cc(=O)[nH]c([C@H](C)N2CCN3C(=O)NC[C@H]3C2)n1 ZINC000248719959 352455704 /nfs/dbraw/zinc/45/57/04/352455704.db2.gz GGDJXZOYTXXTRZ-UWVGGRQHSA-N 0 0 277.328 0.261 10 0 CCAERN C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000248966590 352469774 /nfs/dbraw/zinc/46/97/74/352469774.db2.gz OALXKDUKRSAAMJ-GARJFASQSA-N 0 0 275.370 0.447 10 0 CCAERN CCN(C)C(=O)[C@H](C)NC(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000248980668 352470900 /nfs/dbraw/zinc/47/09/00/352470900.db2.gz VGCHNGGULWUVGC-GARJFASQSA-N 0 0 271.361 0.720 10 0 CCAERN CNC(=O)[C@@H]1CCCN1C(=O)N[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000249136191 352480379 /nfs/dbraw/zinc/48/03/79/352480379.db2.gz DUTFSNONVSHLIQ-WHOHXGKFSA-N 0 0 281.356 0.474 10 0 CCAERN CC(=O)N[C@@H]1CN(C(=O)CC2=CCCCC2)C[C@H]1CO ZINC000257180144 352548815 /nfs/dbraw/zinc/54/88/15/352548815.db2.gz DGOHMEJXYOCZKG-UONOGXRCSA-N 0 0 280.368 0.832 10 0 CCAERN Cc1cc(C(=O)N2CCC[C@@H](c3nnnn3C)C2)[nH]n1 ZINC000257181928 352548870 /nfs/dbraw/zinc/54/88/70/352548870.db2.gz ODOCKKUDTRAGFM-SECBINFHSA-N 0 0 275.316 0.261 10 0 CCAERN CCNC(=O)N1CC[C@H](Cc2nncn2CC)C1 ZINC000257180907 352549527 /nfs/dbraw/zinc/54/95/27/352549527.db2.gz LYHSFGWERLPIAW-SNVBAGLBSA-N 0 0 251.334 0.892 10 0 CCAERN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[C@@H]1CC[NH2+]C1 ZINC000250829847 352508503 /nfs/dbraw/zinc/50/85/03/352508503.db2.gz IPXXSGQQYCNBBS-QCNOEVLYSA-N 0 0 266.341 0.840 10 0 CCAERN CC(C)(C(=O)N1C[C@@H]2CC[C@H](O)[C@H]2C1)S(C)(=O)=O ZINC000252853470 352526002 /nfs/dbraw/zinc/52/60/02/352526002.db2.gz GOYFRDAUNHVBNQ-GUBZILKMSA-N 0 0 275.370 0.039 10 0 CCAERN Cn1cc([C@@H]2CCCN2S(=O)(=O)N2CCCC2)cn1 ZINC000264192381 352595819 /nfs/dbraw/zinc/59/58/19/352595819.db2.gz NCRYQHPMFVYEHX-LBPRGKRZSA-N 0 0 284.385 0.898 10 0 CCAERN C[C@H]1COC[C@H](C)N1C(=O)c1ccc(S(N)(=O)=O)o1 ZINC000265845072 352667564 /nfs/dbraw/zinc/66/75/64/352667564.db2.gz BVYZZEAZSQWDQP-YUMQZZPRSA-N 0 0 288.325 0.176 10 0 CCAERN C[C@H](CO)[C@H](C)NC1=NS(=O)(=O)c2ccccc21 ZINC000134925733 187782297 /nfs/dbraw/zinc/78/22/97/187782297.db2.gz KAQAGGPKLFGCJE-BDAKNGLRSA-N 0 0 268.338 0.742 10 0 CCAERN CCOC(=O)C(C)(C)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000135351691 187822700 /nfs/dbraw/zinc/82/27/00/187822700.db2.gz RNZHLUYFIUDZOX-SECBINFHSA-N 0 0 280.328 0.819 10 0 CCAERN CN1CCO[C@H](C(=O)NCc2cn3c(n2)CCCC3)C1 ZINC000266862825 352727311 /nfs/dbraw/zinc/72/73/11/352727311.db2.gz VEXSEGUNIGMCBA-LBPRGKRZSA-N 0 0 278.356 0.166 10 0 CCAERN CC(C)(C)c1nnc2ccc(N3CCO[C@H](CO)C3)nn21 ZINC000274961560 353176103 /nfs/dbraw/zinc/17/61/03/353176103.db2.gz WUMXWOPPWDLVRR-JTQLQIEISA-N 0 0 291.355 0.619 10 0 CCAERN COc1ccccc1C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000154105091 188123691 /nfs/dbraw/zinc/12/36/91/188123691.db2.gz CMAVOQWZKBPTCA-GFCCVEGCSA-N 0 0 294.351 0.118 10 0 CCAERN NC(=O)NCCC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000131943775 137653138 /nfs/dbraw/zinc/65/31/38/137653138.db2.gz NGSNXHLSFUMOOB-UHFFFAOYSA-N 0 0 265.317 0.174 10 0 CCAERN O=C(c1c[nH]nc1[C@@H]1CCOC1)N1CC(=O)N(C2CC2)C1 ZINC000279680964 353309143 /nfs/dbraw/zinc/30/91/43/353309143.db2.gz SFBVGIYQMUJUMB-SECBINFHSA-N 0 0 290.323 0.318 10 0 CCAERN COc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C(N)=O)C2)cc1 ZINC000157497957 188321068 /nfs/dbraw/zinc/32/10/68/188321068.db2.gz WPNFBFREFWHREP-BXKDBHETSA-N 0 0 278.308 0.410 10 0 CCAERN COCc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C(N)=O)C2)cc1 ZINC000157467595 188319243 /nfs/dbraw/zinc/31/92/43/188319243.db2.gz YGJBTFSMLZHZAN-ZWNOBZJWSA-N 0 0 292.335 0.548 10 0 CCAERN C[C@@H]1NC(=O)CC[C@H]1NS(=O)(=O)c1cccs1 ZINC000282091070 353392170 /nfs/dbraw/zinc/39/21/70/353392170.db2.gz BUBPUBYBAFQBEA-JGVFFNPUSA-N 0 0 274.367 0.694 10 0 CCAERN C[C@@H]1C(=O)NCCCN1C(=O)[C@H]1CCc2cnn(C)c2C1 ZINC000282110706 353394283 /nfs/dbraw/zinc/39/42/83/353394283.db2.gz 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288359031 /nfs/dbraw/zinc/35/90/31/288359031.db2.gz DZODYPGNOXOKRE-NWDGAFQWSA-N 0 0 268.357 0.882 10 0 CCAERN CCc1ccc2c(c1)[C@]1(NC(=O)[C@H]3COCCN31)C(=O)N2 ZINC000180269771 288576205 /nfs/dbraw/zinc/57/62/05/288576205.db2.gz CZSLDYHSAQPZPK-IUODEOHRSA-N 0 0 287.319 0.185 10 0 CCAERN CN(C)C(=O)[C@H]1CCCN1CC1CCS(=O)(=O)CC1 ZINC000408006376 289018527 /nfs/dbraw/zinc/01/85/27/289018527.db2.gz YEYNHZCPOCFSDC-GFCCVEGCSA-N 0 0 288.413 0.364 10 0 CCAERN CN([C@H]1CCNC1=O)S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000333189009 289782242 /nfs/dbraw/zinc/78/22/42/289782242.db2.gz RPZZPUXNKNOAAR-RCWTZXSCSA-N 0 0 272.370 0.325 10 0 CCAERN CN1CCO[C@@H]2CCN(C(=O)C3CC=CC3)C[C@H]21 ZINC000248018108 290079927 /nfs/dbraw/zinc/07/99/27/290079927.db2.gz GYWFSGWLSZMRIJ-CHWSQXEVSA-N 0 0 250.342 0.884 10 0 CCAERN CN1CCO[C@@H]2CCN(C(=O)c3ccoc3)C[C@H]21 ZINC000283826626 290085426 /nfs/dbraw/zinc/08/54/26/290085426.db2.gz ADGSGSSTPHHCOA-VXGBXAGGSA-N 0 0 250.298 0.825 10 0 CCAERN CN1CCO[C@H]2CN(C(=O)NC3CC(F)(F)C3)C[C@@H]21 ZINC000336124813 290117198 /nfs/dbraw/zinc/11/71/98/290117198.db2.gz KWJVEPOXPSAMFT-UWVGGRQHSA-N 0 0 275.299 0.509 10 0 CCAERN Cc1nc(C(=O)N2CCO[C@H](C)[C@H]2C(N)=O)c(C)o1 ZINC000408071673 293166746 /nfs/dbraw/zinc/16/67/46/293166746.db2.gz DHEFDILHGHCKAE-XCBNKYQSSA-N 0 0 267.285 0.006 10 0 CCAERN COC[C@H]1CCN(C(=O)N2CCC[C@](C)(O)C2)C1 ZINC000335886666 293212124 /nfs/dbraw/zinc/21/21/24/293212124.db2.gz LDZSJPHDIDZNFK-AAEUAGOBSA-N 0 0 256.346 0.922 10 0 CCAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1cnns1 ZINC000177693776 293525503 /nfs/dbraw/zinc/52/55/03/293525503.db2.gz BOFIHKHBXDCIFY-SSDOTTSWSA-N 0 0 264.314 0.703 10 0 CCAERN CO[C@@H]1CCCN(C(=O)N[C@H]2CCCn3ncnc32)C1 ZINC000176607013 293650765 /nfs/dbraw/zinc/65/07/65/293650765.db2.gz CUZDJRNMIMVDPZ-MNOVXSKESA-N 0 0 279.344 0.933 10 0 CCAERN C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000384326207 545085232 /nfs/dbraw/zinc/08/52/32/545085232.db2.gz XMIXEIDKTHYZRT-HBNTYKKESA-N 0 0 254.330 0.840 10 0 CCAERN CO[C@@]1(C(=O)N2CCC[C@](C)(O)CC2)CCOC1 ZINC000352461396 294110948 /nfs/dbraw/zinc/11/09/48/294110948.db2.gz OIIMPFMSMICWAK-STQMWFEESA-N 0 0 257.330 0.555 10 0 CCAERN CO[C@H](C)[C@H](C)NC(=O)N1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000358388012 294325826 /nfs/dbraw/zinc/32/58/26/294325826.db2.gz GUUXGNXLGONFNM-QNWHQSFQSA-N 0 0 285.388 0.524 10 0 CCAERN Cn1cccc1C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000172744553 294379405 /nfs/dbraw/zinc/37/94/05/294379405.db2.gz ZJIGGWFCMDKUMV-GFCCVEGCSA-N 0 0 263.341 0.572 10 0 CCAERN CO[C@]1(C)CCCN(C(=O)NC[C@@H](C)N2CCOCC2)C1 ZINC000408283247 294808603 /nfs/dbraw/zinc/80/86/03/294808603.db2.gz HXLMWDUJXGJFTR-UKRRQHHQSA-N 0 0 299.415 0.918 10 0 CCAERN NC(=O)C[C@H](N)C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000226898305 295056180 /nfs/dbraw/zinc/05/61/80/295056180.db2.gz PDPCXLSMRKGUBD-FXQIFTODSA-N 0 0 281.278 0.426 10 0 CCAERN COc1ccc(/C=C\C(=O)NN2CCN(C)CC2)cc1 ZINC000096507650 295060402 /nfs/dbraw/zinc/06/04/02/295060402.db2.gz GIQFUSURGPGRJU-YVMONPNESA-N 0 0 275.352 0.987 10 0 CCAERN NC(=O)Nc1cccc(NC(=O)[C@H]2COCCN2)c1 ZINC000088358968 295097454 /nfs/dbraw/zinc/09/74/54/295097454.db2.gz VHDLNFNMZHMAGT-SNVBAGLBSA-N 0 0 264.285 0.104 10 0 CCAERN COc1ccc(C)cc1[C@H]1NC(=O)[C@@H]2COCCN21 ZINC000408071204 295109894 /nfs/dbraw/zinc/10/98/94/295109894.db2.gz AXKZWVILLJYDND-AAEUAGOBSA-N 0 0 262.309 0.833 10 0 CCAERN NC(=O)[C@@H]1COCCN1C(=O)Cc1cccc(F)c1 ZINC000091782271 295119025 /nfs/dbraw/zinc/11/90/25/295119025.db2.gz JSHIFVMPMXBMTJ-NSHDSACASA-N 0 0 266.272 0.081 10 0 CCAERN NC(=O)[C@@H]1COCCN1C(=O)c1cc2c(cccc2F)[nH]1 ZINC000180270794 295119981 /nfs/dbraw/zinc/11/99/81/295119981.db2.gz MGKDQAWNVPISJQ-LBPRGKRZSA-N 0 0 291.282 0.633 10 0 CCAERN NC(=O)[C@H]1COCCN1C(=O)c1ccc2[nH]ccc2c1 ZINC000158162789 295158996 /nfs/dbraw/zinc/15/89/96/295158996.db2.gz WBEVATGFJYGLHX-GFCCVEGCSA-N 0 0 273.292 0.494 10 0 CCAERN N[C@H](c1ccc2[nH]c(=O)c(=O)[nH]c2c1)C(F)(F)F ZINC000019842549 295332541 /nfs/dbraw/zinc/33/25/41/295332541.db2.gz QWRNKFHXLYFZCZ-SSDOTTSWSA-N 0 0 259.187 0.779 10 0 CCAERN C[C@@H]1C[C@@H](C(=O)N[C@@H]2CCN(C)C2=O)C[C@H](C)O1 ZINC000408076768 297211029 /nfs/dbraw/zinc/21/10/29/297211029.db2.gz NKAWDUQWFKVVHH-LMLFDSFASA-N 0 0 254.330 0.537 10 0 CCAERN C[C@@H]1C[C@@H](O)CN(S(=O)(=O)N2CCCC[C@H]2C)C1 ZINC000401664474 297289401 /nfs/dbraw/zinc/28/94/01/297289401.db2.gz RCQOYDNFAYMKDU-IJLUTSLNSA-N 0 0 276.402 0.808 10 0 CCAERN C[C@@H]1C[C@H](NC(=O)[C@@H]2OC[C@H]3COCC[C@@H]32)CCO1 ZINC000332862750 297435134 /nfs/dbraw/zinc/43/51/34/297435134.db2.gz XLTRIYVZOURCOL-NJMOYASZSA-N 0 0 269.341 0.722 10 0 CCAERN Cc1cc(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C)c(C)nn1 ZINC000393508819 545087820 /nfs/dbraw/zinc/08/78/20/545087820.db2.gz LTWWEMXHGBWYRX-MWLCHTKSSA-N 0 0 262.313 0.490 10 0 CCAERN C[C@H](C(=O)N1CC[C@H](N2CCOCC2)C1)n1cccn1 ZINC000408230959 298083752 /nfs/dbraw/zinc/08/37/52/298083752.db2.gz FAFYMLQMFVJXKD-OLZOCXBDSA-N 0 0 278.356 0.377 10 0 CCAERN C[C@H](C(=O)NC(C)(C)C)N1CCCN(C)C(=O)C1 ZINC000191095954 298127618 /nfs/dbraw/zinc/12/76/18/298127618.db2.gz WMMOMQNHCWIAAI-SNVBAGLBSA-N 0 0 255.362 0.454 10 0 CCAERN C[C@H](C(=O)NC(N)=O)N1CC(F)(F)C(F)(F)C1 ZINC000335157538 298132653 /nfs/dbraw/zinc/13/26/53/298132653.db2.gz SJCYMKJZBGUVII-SCSAIBSYSA-N 0 0 257.187 0.156 10 0 CCAERN C[C@H]1CN(C(=O)[C@@H]2CCCN(C)C2=O)CCS1 ZINC000336240168 300165337 /nfs/dbraw/zinc/16/53/37/300165337.db2.gz URPVLIUUGFKBRR-VHSXEESVSA-N 0 0 256.371 0.819 10 0 CCAERN C[C@H]1CS(=O)(=O)CCN1C[C@H](O)COC(C)(C)C ZINC000172422077 300374325 /nfs/dbraw/zinc/37/43/25/300374325.db2.gz DIVYBWBBUOEBOB-QWRGUYRKSA-N 0 0 279.402 0.281 10 0 CCAERN C[C@H]1C[C@H]1NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000075523021 300538929 /nfs/dbraw/zinc/53/89/29/300538929.db2.gz ZQVNFWQSSHOZAK-WCBMZHEXSA-N 0 0 281.337 0.009 10 0 CCAERN C[C@H]1OCCN(C(=O)N[C@H]2CCC(=O)N[C@H]2C)[C@@H]1C ZINC000408426314 300592171 /nfs/dbraw/zinc/59/21/71/300592171.db2.gz JPGMDDPONHPUDN-ZDCRXTMVSA-N 0 0 269.345 0.472 10 0 CCAERN C[C@H]1OCC[C@H]1NC(=O)N1CCOC[C@@H]1C1CC1 ZINC000129115432 300627050 /nfs/dbraw/zinc/62/70/50/300627050.db2.gz JKZGGTFCXWMBKG-YUSALJHKSA-N 0 0 254.330 0.984 10 0 CCAERN C[C@H]1O[C@@H](n2cc(F)c(N)nc2=O)[C@H]2OC(C)(C)O[C@H]12 ZINC000022055895 300644026 /nfs/dbraw/zinc/64/40/26/300644026.db2.gz XXYNQHIPVNHJFE-PJGXCUNHSA-N 0 0 285.275 0.402 10 0 in-vitro CCAERN C[C@](O)(CNC(=O)[C@@H]1CCCCC(=O)N1)C(F)(F)F ZINC000377041408 300738556 /nfs/dbraw/zinc/73/85/56/300738556.db2.gz AGWZVTFUAJROOK-XVKPBYJWSA-N 0 0 282.262 0.475 10 0 CCAERN O=C1O[C@@H]2[C@@H]3NC(=S)N(c4ccccc4)[C@@H]3[C@H]1C[C@H]2O ZINC000008253651 304695039 /nfs/dbraw/zinc/69/50/39/304695039.db2.gz BJGXXXVIPHVVJC-OOCWMUITSA-N 0 0 290.344 0.425 10 0 CCAERN Cc1c(C(=O)N2CCOC[C@H]2C(N)=O)cnn1CC(C)C ZINC000091784358 300926053 /nfs/dbraw/zinc/92/60/53/300926053.db2.gz TZKWUNVMFNAWMF-LBPRGKRZSA-N 0 0 294.355 0.174 10 0 CCAERN Cc1ccc(NC(=O)[C@@H]2COCCN2C)c(=O)[nH]1 ZINC000408046484 301641895 /nfs/dbraw/zinc/64/18/95/301641895.db2.gz LKXJZBVWVUNIMD-JTQLQIEISA-N 0 0 251.286 0.365 10 0 CCAERN Cc1nc(C(=O)N2C[C@H](C)O[C@@H](C)C2)c(=O)[nH]c1C ZINC000152891656 302554283 /nfs/dbraw/zinc/55/42/83/302554283.db2.gz PZVQPNSWYFNKDV-YUMQZZPRSA-N 0 0 265.313 0.636 10 0 CCAERN Cc1nnnn1-c1cccc(N[C@H](C)CS(C)(=O)=O)c1 ZINC000081900181 302832770 /nfs/dbraw/zinc/83/27/70/302832770.db2.gz LLWJSXKDRFOEPS-SECBINFHSA-N 0 0 295.368 0.816 10 0 CCAERN Cc1noc([C@H]2C[C@@H](O)CN2C(=O)[C@H]2CCCO[C@H]2C)n1 ZINC000329358966 302857095 /nfs/dbraw/zinc/85/70/95/302857095.db2.gz BQSJWVRHIHEDDE-ZDDJMSTPSA-N 0 0 295.339 0.827 10 0 CCAERN Cn1ccnc1[C@H]1CN(C(=O)[C@]2(C)CCCO2)CCN1C ZINC000276701286 303007822 /nfs/dbraw/zinc/00/78/22/303007822.db2.gz PDNBBXMYDXHZLZ-DOMZBBRYSA-N 0 0 292.383 0.804 10 0 CCAERN Cn1nccc1[C@@H]1[C@@H](C(N)=O)CCC(=O)N1C1CC1 ZINC000238854440 303082878 /nfs/dbraw/zinc/08/28/78/303082878.db2.gz NRXNFRRZFYGJPJ-CABZTGNLSA-N 0 0 262.313 0.348 10 0 CCAERN NC(=O)[C@H]1COCCN1C(=O)c1ccccc1F ZINC000091783381 303333889 /nfs/dbraw/zinc/33/38/89/303333889.db2.gz ZXAFEFXMPXMOHW-SNVBAGLBSA-N 0 0 252.245 0.152 10 0 CCAERN O=C(N[C@@H]1CCC[C@@H]2OCC[C@@H]21)[C@@H]1CNC(=O)C1 ZINC000247332172 303859390 /nfs/dbraw/zinc/85/93/90/303859390.db2.gz JDDMXWHJFUXODL-ZDCRXTMVSA-N 0 0 252.314 0.196 10 0 CCAERN C[C@@H]1NC(=O)CC[C@@H]1NC(=O)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000332711846 327646009 /nfs/dbraw/zinc/64/60/09/327646009.db2.gz MNNPHMVNGZELQL-ORZSEXNPSA-N 0 0 252.314 0.195 10 0 CCAERN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000332746300 327648287 /nfs/dbraw/zinc/64/82/87/327648287.db2.gz JBPKTNUKYCKYKF-RYMFRWLXSA-N 0 0 296.367 0.042 10 0 CCAERN C[C@H]1CC(CNC(=O)NCC2(CO)COC2)C[C@H](C)O1 ZINC000332927930 327680082 /nfs/dbraw/zinc/68/00/82/327680082.db2.gz NEKMFJUQKRCREW-QWRGUYRKSA-N 0 0 286.372 0.498 10 0 CCAERN C[C@@H]1C[C@@H](CNC(=O)NCC2(CO)COC2)C[C@H](C)O1 ZINC000332927931 327680003 /nfs/dbraw/zinc/68/00/03/327680003.db2.gz NEKMFJUQKRCREW-ZSBIGDGJSA-N 0 0 286.372 0.498 10 0 CCAERN CCC(=O)N1CCC[C@H](C(=O)N2CCCNC(=O)[C@@H]2C)C1 ZINC000188844197 327760507 /nfs/dbraw/zinc/76/05/07/327760507.db2.gz TYRLIVCUHKKZCN-RYUDHWBXSA-N 0 0 295.383 0.372 10 0 CCAERN O=C(N[C@H]1CCCn2ncnc21)c1cc2n(n1)CCC2 ZINC000582361794 328971382 /nfs/dbraw/zinc/97/13/82/328971382.db2.gz MPZMYTNJVDQCAR-JTQLQIEISA-N 0 0 272.312 0.686 10 0 CCAERN Cc1ccc(CCNC(=O)N2CCCNC(=O)[C@H]2C)cn1 ZINC000191386262 330139150 /nfs/dbraw/zinc/13/91/50/330139150.db2.gz YJSSEDJMWWWVDQ-GFCCVEGCSA-N 0 0 290.367 0.853 10 0 CCAERN Cc1cnc(CNC(=O)N2CCCNC(=O)[C@H]2C)s1 ZINC000191428639 330141438 /nfs/dbraw/zinc/14/14/38/330141438.db2.gz MREDHSXZTUFXEQ-SECBINFHSA-N 0 0 282.369 0.872 10 0 CCAERN CC[C@H]1CN(C(=O)c2cncc(O)c2)CCN1CCOC ZINC000172309464 335100538 /nfs/dbraw/zinc/10/05/38/335100538.db2.gz DGDKQDPFVPOIOO-ZDUSSCGKSA-N 0 0 293.367 0.970 10 0 CCAERN CC(C)c1nccnc1NC[C@@H](C)S(C)(=O)=O ZINC000580527407 335102270 /nfs/dbraw/zinc/10/22/70/335102270.db2.gz PIEWRICNBMHRIF-SECBINFHSA-N 0 0 257.359 0.867 10 0 CCAERN Cc1nc(CNC(=O)[C@H]2CNC(=O)C2)sc1C ZINC000175320315 335179975 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CCOC(=O)CCNS(=O)(=O)NC1CCCC1 ZINC000243318154 352307969 /nfs/dbraw/zinc/30/79/69/352307969.db2.gz LLRLJYUGLKCVGJ-UHFFFAOYSA-N 0 0 264.347 0.306 10 0 CCAERN CCOCCN1CCN(Cc2nc(COC)no2)C[C@H]1C ZINC000245563912 352329764 /nfs/dbraw/zinc/32/97/64/352329764.db2.gz NNEFDLVULARJRU-GFCCVEGCSA-N 0 0 298.387 0.759 10 0 CCAERN CCS[C@H](C)c1noc(CN2C[C@@H](O)C[C@@H]2CO)n1 ZINC000245656936 352333004 /nfs/dbraw/zinc/33/30/04/352333004.db2.gz DYBIHCIWOGSJSW-BBBLOLIVSA-N 0 0 287.385 0.811 10 0 CCAERN Cn1cc(N2CCC[C@H]([N@@H+]3CCC[C@@](C)(O)C3)C2=O)cn1 ZINC000245843470 352339562 /nfs/dbraw/zinc/33/95/62/352339562.db2.gz BRLVTZWRZNVHPO-DZGCQCFKSA-N 0 0 292.383 0.762 10 0 CCAERN CN1CCO[C@@H](CNC(=O)C[C@@H](O)c2ccccc2)C1 ZINC000246361329 352361592 /nfs/dbraw/zinc/36/15/92/352361592.db2.gz IMMJLQMLSOXBAE-UONOGXRCSA-N 0 0 278.352 0.557 10 0 CCAERN C[C@H]1CN(Cc2ccon2)C[C@H]1N1CCOCC1 ZINC000246570640 352373490 /nfs/dbraw/zinc/37/34/90/352373490.db2.gz VLNUGAIVRRBCGU-WCQYABFASA-N 0 0 251.330 0.827 10 0 CCAERN C[C@H](O)CN1CCN(C(=O)c2ccc[nH]2)C[C@@H]1C ZINC000246657323 352377668 /nfs/dbraw/zinc/37/76/68/352377668.db2.gz GXYOWVZFDRKLRA-QWRGUYRKSA-N 0 0 251.330 0.542 10 0 CCAERN COCCN1CCN(C(=O)NC[C@H](C)COC)C[C@H]1C ZINC000246731716 352381351 /nfs/dbraw/zinc/38/13/51/352381351.db2.gz JNYMNYLVINNHFE-QWHCGFSZSA-N 0 0 287.404 0.631 10 0 CCAERN CN1CCN(C[C@@H](O)CN2CCCC2=O)c2ccccc21 ZINC000246816346 352383980 /nfs/dbraw/zinc/38/39/80/352383980.db2.gz NNIQYLDNMWXYKT-CYBMUJFWSA-N 0 0 289.379 0.926 10 0 CCAERN CCN(CC)C(=O)[C@@H](C)N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000246961111 352390574 /nfs/dbraw/zinc/39/05/74/352390574.db2.gz LERHUNYIJGGKDO-ZYHUDNBSSA-N 0 0 295.387 0.743 10 0 CCAERN CN1CCO[C@H](CNC(=O)N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)C1 ZINC000247089718 352398017 /nfs/dbraw/zinc/39/80/17/352398017.db2.gz UOXUMSSEXUBTPS-FDYHWXHSSA-N 0 0 297.399 0.430 10 0 CCAERN CC(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCC1CC1 ZINC000339912436 215393614 /nfs/dbraw/zinc/39/36/14/215393614.db2.gz ANKIDJMPQWRNOZ-NEPJUHHUSA-N 0 0 268.357 0.690 10 0 CCAERN CCOC(=O)[C@H](N[C@H]1CCS(=O)(=O)C1)[C@H](C)CC ZINC000248241141 352433857 /nfs/dbraw/zinc/43/38/57/352433857.db2.gz BWKDZKBGEUPHIB-OUAUKWLOSA-N 0 0 277.386 0.741 10 0 CCAERN CO[C@@H]1CC[C@H](NC(=O)NC[C@H](C)N2CCOCC2)C1 ZINC000248796402 352459117 /nfs/dbraw/zinc/45/91/17/352459117.db2.gz UCLSLANMHKBYES-RWMBFGLXSA-N 0 0 285.388 0.574 10 0 CCAERN CCS(=O)(=O)N1CC[C@@H](Cc2nncn2C)C1 ZINC000257177291 352548462 /nfs/dbraw/zinc/54/84/62/352548462.db2.gz DQBNTLJVAXHEIL-VIFPVBQESA-N 0 0 258.347 0.029 10 0 CCAERN CC[C@H](C)NC(=O)[C@H](C)N[C@H]1CCS(=O)(=O)C1 ZINC000251668999 352511060 /nfs/dbraw/zinc/51/10/60/352511060.db2.gz CIZOFJVALMDXLT-GUBZILKMSA-N 0 0 262.375 0.066 10 0 CCAERN COCCc1noc(C2CN(C(=O)C(C)C)C2)n1 ZINC000257187379 352551127 /nfs/dbraw/zinc/55/11/27/352551127.db2.gz AWXAVIDDFPSXCM-UHFFFAOYSA-N 0 0 253.302 0.840 10 0 CCAERN COCCC(=O)N1CCC2(CC[C@H]2NC(=O)COC)CC1 ZINC000257196892 352552360 /nfs/dbraw/zinc/55/23/60/352552360.db2.gz ZBHHIWWRWLXJRX-GFCCVEGCSA-N 0 0 298.383 0.557 10 0 CCAERN Cn1cc([C@H]2CCCN2S(=O)(=O)N2CCCC2)cn1 ZINC000264192378 352595669 /nfs/dbraw/zinc/59/56/69/352595669.db2.gz NCRYQHPMFVYEHX-GFCCVEGCSA-N 0 0 284.385 0.898 10 0 CCAERN NC(=O)c1cc(Cl)nnc1NC[C@@H]1CCC[C@@H]1O ZINC000267031731 352739970 /nfs/dbraw/zinc/73/99/70/352739970.db2.gz LISAAZIQXQDSRV-XPUUQOCRSA-N 0 0 270.720 0.802 10 0 CCAERN CN1CCc2ncnc(N3CCC[C@H](CC(N)=O)C3)c2C1 ZINC000267070289 352742295 /nfs/dbraw/zinc/74/22/95/352742295.db2.gz QTEMEPUBPCTGJO-LLVKDONJSA-N 0 0 289.383 0.556 10 0 CCAERN CCc1nnc([C@@H]2CN(C(=O)NCCOC)CCO2)[nH]1 ZINC000151107728 187944412 /nfs/dbraw/zinc/94/44/12/187944412.db2.gz AAUICUJXOPTYMJ-VIFPVBQESA-N 0 0 283.332 0.096 10 0 CCAERN CCC[C@@H](C(=O)Nc1nc(SCCO)n[n-]1)[NH+](C)C ZINC000155333758 188199469 /nfs/dbraw/zinc/19/94/69/188199469.db2.gz ZLCCDALFRKYIRY-QMMMGPOBSA-N 0 0 287.389 0.558 10 0 CCAERN COC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cccc(F)c1 ZINC000155626379 188217222 /nfs/dbraw/zinc/21/72/22/188217222.db2.gz NIYXFEIGSSQWFR-NSHDSACASA-N 0 0 294.282 0.928 10 0 CCAERN Cc1ccc(F)c(OCC(=O)NC[C@H]2CN(C)CCO2)c1 ZINC000156334450 188255596 /nfs/dbraw/zinc/25/55/96/188255596.db2.gz MJDFFDGSXLJGMY-LBPRGKRZSA-N 0 0 296.342 0.960 10 0 CCAERN Cc1ccc(CC(=O)N2C[C@@H](C)O[C@H](C(N)=O)C2)cn1 ZINC000157355960 188311394 /nfs/dbraw/zinc/31/13/94/188311394.db2.gz BDUZAMITMDVHBS-PWSUYJOCSA-N 0 0 277.324 0.034 10 0 CCAERN CC(C)[C@@H](O)CNC(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000157549089 188324221 /nfs/dbraw/zinc/32/42/21/188324221.db2.gz TWPOSECRNOSFBR-ZJUUUORDSA-N 0 0 268.313 0.531 10 0 CCAERN Cc1[nH]ccc1C(=O)N1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000157557233 188325291 /nfs/dbraw/zinc/32/52/91/188325291.db2.gz LWYDOJBPEZSGGT-GMSGAONNSA-N 0 0 251.286 0.038 10 0 CCAERN CC(C)C[C@@H](CCO)CNC(=O)[C@@H]1CNC(=O)C1 ZINC000176290565 137677164 /nfs/dbraw/zinc/67/71/64/137677164.db2.gz XJTAEJUEESKOJW-MNOVXSKESA-N 0 0 256.346 0.283 10 0 CCAERN Cc1noc(C)c1C(C)(C)C(=O)N1CCO[C@@H](CO)C1 ZINC000280841535 353387887 /nfs/dbraw/zinc/38/78/87/353387887.db2.gz QHUDYSYCZMBYRA-LLVKDONJSA-N 0 0 282.340 0.789 10 0 CCAERN Cc1ncsc1C(=O)N[C@H]1CCC(=O)N[C@@H]1C ZINC000282158528 353398402 /nfs/dbraw/zinc/39/84/02/353398402.db2.gz PYLMGZZOUGRXNJ-SVRRBLITSA-N 0 0 253.327 0.848 10 0 CCAERN C[C@@H]1NC(=O)CC[C@H]1NC(=O)c1ccnc(N(C)C)c1 ZINC000282212062 353403486 /nfs/dbraw/zinc/40/34/86/353403486.db2.gz TYAVMDPCVLHOEM-GXSJLCMTSA-N 0 0 276.340 0.545 10 0 CCAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)COC[C@@H]1CCOC1 ZINC000177682862 137688909 /nfs/dbraw/zinc/68/89/09/137688909.db2.gz XVRKTKMKMSHLMZ-VXGBXAGGSA-N 0 0 294.355 0.591 10 0 CCAERN O=C([C@@H]1COCCO1)N1C[C@H](O)C[C@H]1c1cccc(F)c1 ZINC000282706180 353446238 /nfs/dbraw/zinc/44/62/38/353446238.db2.gz YHUALIFBSPMCEK-RDBSUJKOSA-N 0 0 295.310 0.875 10 0 CCAERN C[C@H]1NC(=O)CC[C@H]1NS(=O)(=O)c1cccnc1 ZINC000282502783 353429806 /nfs/dbraw/zinc/42/98/06/353429806.db2.gz KKCXMQUYCPVIKL-PSASIEDQSA-N 0 0 269.326 0.027 10 0 CCAERN C[C@@H]1NC(=O)CC[C@@H]1NS(=O)(=O)c1ccc(N)cc1 ZINC000282508006 353430644 /nfs/dbraw/zinc/43/06/44/353430644.db2.gz KVRNAGDCYJYFGF-KWQFWETISA-N 0 0 283.353 0.214 10 0 CCAERN COC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCc2n[nH]nc2C1 ZINC000282967908 353468730 /nfs/dbraw/zinc/46/87/30/353468730.db2.gz MGEXQQLJZLOGIN-KCJUWKMLSA-N 0 0 278.312 0.074 10 0 CCAERN Cc1cc(C(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)cc(=O)[nH]1 ZINC000284578254 353556866 /nfs/dbraw/zinc/55/68/66/353556866.db2.gz RMVATWVDGAMEPD-CHWSQXEVSA-N 0 0 291.351 0.641 10 0 CCAERN Cc1cc(C(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)cc(=O)[nH]1 ZINC000284578257 353556894 /nfs/dbraw/zinc/55/68/94/353556894.db2.gz RMVATWVDGAMEPD-STQMWFEESA-N 0 0 291.351 0.641 10 0 CCAERN CCc1nnc(NC(=O)[C@]2(O)CCCN(C(C)=O)C2)s1 ZINC000286168113 353566697 /nfs/dbraw/zinc/56/66/97/353566697.db2.gz MHAFJFNFNQDUOI-LBPRGKRZSA-N 0 0 298.368 0.412 10 0 CCAERN O=C(N1CCOCC1)N1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000335320611 303684540 /nfs/dbraw/zinc/68/45/40/303684540.db2.gz LKZUTFIWXLMZMD-VHSXEESVSA-N 0 0 296.289 0.931 10 0 CCAERN Cc1cc(NC(=O)CN2CCC[C@@H](O)[C@@H]2C)no1 ZINC000296376052 353945023 /nfs/dbraw/zinc/94/50/23/353945023.db2.gz STXKVQIVVAUWFN-VHSXEESVSA-N 0 0 253.302 0.767 10 0 CCAERN CCc1cc(=O)n2nc(N3CC(=O)N(CC)C3)sc2n1 ZINC000302722096 354085225 /nfs/dbraw/zinc/08/52/25/354085225.db2.gz LTICLXWWEXOQGD-UHFFFAOYSA-N 0 0 293.352 0.339 10 0 CCAERN COCCc1nsc(N2CC(NC(=O)C3CC3)C2)n1 ZINC000302816800 354088728 /nfs/dbraw/zinc/08/87/28/354088728.db2.gz INHLSDDNRMSAIO-UHFFFAOYSA-N 0 0 282.369 0.442 10 0 CCAERN CCOC(=O)c1cnc2c(cnn2C)c1N(C)CC(N)=O ZINC000302750564 354086530 /nfs/dbraw/zinc/08/65/30/354086530.db2.gz UGSNCODKLZUENC-UHFFFAOYSA-N 0 0 291.311 0.067 10 0 CCAERN CC(C)c1nccc(N2CCC([C@H](O)C(N)=O)CC2)n1 ZINC000299746486 354044840 /nfs/dbraw/zinc/04/48/40/354044840.db2.gz XRWSQLBCCXFGIA-LBPRGKRZSA-N 0 0 278.356 0.663 10 0 CCAERN CCN1CCO[C@@H](CN[C@H](C(=O)OC)C2CC2)C1 ZINC000300064784 354058394 /nfs/dbraw/zinc/05/83/94/354058394.db2.gz PMSGRCIOZOGCDE-RYUDHWBXSA-N 0 0 256.346 0.248 10 0 CCAERN CC(=O)[C@@H](C)NC(=O)c1c(Br)nnn1C ZINC000306656757 354175829 /nfs/dbraw/zinc/17/58/29/354175829.db2.gz HIQTVKMODZPFBQ-SCSAIBSYSA-N 0 0 275.106 0.285 10 0 CCAERN O=C1CCCN1C[C@@H](O)CN1CCOC[C@H]1C1CC1 ZINC000305660547 354149330 /nfs/dbraw/zinc/14/93/30/354149330.db2.gz GRZPIKYMJLYETA-STQMWFEESA-N 0 0 268.357 0.081 10 0 CCAERN O=C1CN(Cc2ccccc2)CC(=O)N1c1cccnn1 ZINC000306861730 354177521 /nfs/dbraw/zinc/17/75/21/354177521.db2.gz HJHKVNOHIZCRIX-UHFFFAOYSA-N 0 0 282.303 0.852 10 0 CCAERN O=S1(=O)CC(Nc2cc(Cl)nc(Cl)n2)C1 ZINC000307538751 354180497 /nfs/dbraw/zinc/18/04/97/354180497.db2.gz SJKNCSPXQAIJEJ-UHFFFAOYSA-N 0 0 268.125 0.992 10 0 CCAERN Cc1cc(COCC(=O)N2CC(n3ccnn3)C2)on1 ZINC000328690939 202017228 /nfs/dbraw/zinc/01/72/28/202017228.db2.gz QZRSWCFNBNCZQS-UHFFFAOYSA-N 0 0 277.284 0.175 10 0 CCAERN C[C@H](c1nnnn1C1CC1)N1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000328903335 354250070 /nfs/dbraw/zinc/25/00/70/354250070.db2.gz HTHNRCJKIORINQ-RAIGVLPGSA-N 0 0 292.387 0.474 10 0 CCAERN Cc1nc([C@H](C)N2CC[C@H]3OCCN(C)[C@@H]3C2)no1 ZINC000329801549 354260442 /nfs/dbraw/zinc/26/04/42/354260442.db2.gz YUIOAHJWLLRCAJ-MVWJERBFSA-N 0 0 266.345 0.844 10 0 CCAERN Cc1cc(C(=O)N2CCc3cncnc3C2)cnn1 ZINC000329812686 354260896 /nfs/dbraw/zinc/26/08/96/354260896.db2.gz CJOMPSRAULLHDX-UHFFFAOYSA-N 0 0 255.281 0.774 10 0 CCAERN O=C(N1CCC[C@H]2C(=O)NC[C@H]21)[C@]1(O)CCSC1 ZINC000329850729 354265299 /nfs/dbraw/zinc/26/52/99/354265299.db2.gz SNIGIKWRDSFYNW-LNLATYFQSA-N 0 0 270.354 0.432 10 0 CCAERN CN1CCN(C(=O)c2ccc[nH]c2=O)C[C@@H]1c1ncc[nH]1 ZINC000328617951 354237993 /nfs/dbraw/zinc/23/79/93/354237993.db2.gz DGFDMGKSVABWGK-LLVKDONJSA-N 0 0 287.323 0.639 10 0 CCAERN CN(C[C@H]1CCc2nccn2C1)C(=O)[C@H]1CN(C)CCO1 ZINC000328623150 354239804 /nfs/dbraw/zinc/23/98/04/354239804.db2.gz IYFVVQYTPPMZQJ-CHWSQXEVSA-N 0 0 292.383 0.235 10 0 CCAERN Cc1ccnc(N2CCC[C@H]2c2nc(C(N)=O)no2)n1 ZINC000328628342 354240796 /nfs/dbraw/zinc/24/07/96/354240796.db2.gz NQLCOSHWTZDSGJ-QMMMGPOBSA-N 0 0 274.284 0.608 10 0 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C[C@@H]1CCCC[C@H]1NC(=O)N1CCO[C@H](CO)C1 ZINC000078826700 349154859 /nfs/dbraw/zinc/15/48/59/349154859.db2.gz AXFPZQNJASCUML-GRYCIOLGSA-N 0 0 256.346 0.968 10 0 CCAERN Cc1nc(CNC(=O)N2CCO[C@@H](CO)C2)sc1C ZINC000079013558 349163523 /nfs/dbraw/zinc/16/35/23/349163523.db2.gz QFOKQAHZWSOECH-SNVBAGLBSA-N 0 0 285.369 0.663 10 0 CCAERN O=C(N[C@H]1CCc2c1cccc2O)N1CCO[C@@H](CO)C1 ZINC000079005520 349163552 /nfs/dbraw/zinc/16/35/52/349163552.db2.gz WLIWFAUPQQHDSU-MFKMUULPSA-N 0 0 292.335 0.782 10 0 CCAERN Cc1cc(N2CCC[C@@H](NC(=O)NC(C)C)C2=O)n(C)n1 ZINC000080659344 349224278 /nfs/dbraw/zinc/22/42/78/349224278.db2.gz KMOXIYXQXPBYOP-LLVKDONJSA-N 0 0 293.371 0.932 10 0 CCAERN CNS(=O)(=O)c1cc(C(=O)N[C@H]2C[C@H]2C)c(C)o1 ZINC000081732469 349281335 /nfs/dbraw/zinc/28/13/35/349281335.db2.gz ZKIKRKZQLRBQGO-MUWHJKNJSA-N 0 0 272.326 0.634 10 0 CCAERN CCCCCC(=O)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000084796324 349328384 /nfs/dbraw/zinc/32/83/84/349328384.db2.gz YKIYCYULEXMKRP-LBPRGKRZSA-N 0 0 253.302 0.377 10 0 CCAERN O=S(=O)(C[C@H]1CCCCO1)N1CC[C@@H](CCO)C1 ZINC000408395109 137879112 /nfs/dbraw/zinc/87/91/12/137879112.db2.gz STVBBURCCUHZHL-NWDGAFQWSA-N 0 0 277.386 0.590 10 0 CCAERN CC(C)[C@@H]1OCC[C@H]1C(=O)N1CCNC(=O)[C@@H]1C ZINC000408396519 137879402 /nfs/dbraw/zinc/87/94/02/137879402.db2.gz PUPRHMSVXCGGFW-AXFHLTTASA-N 0 0 254.330 0.394 10 0 CCAERN CCC[C@H](O)CNC(=O)N[C@H]1CCCn2nc(C)nc21 ZINC000083742658 349310951 /nfs/dbraw/zinc/31/09/51/349310951.db2.gz HNXHPQYAASDHET-QWRGUYRKSA-N 0 0 281.360 0.882 10 0 CCAERN Cc1cc(C)n(CC(=O)NC[C@H]2CCC[C@H]2O)n1 ZINC000089161958 349377637 /nfs/dbraw/zinc/37/76/37/349377637.db2.gz HJAHAXRFUBZQHI-VXGBXAGGSA-N 0 0 251.330 0.777 10 0 CCAERN Cc1nn(C)c(=O)c(C(=O)NC[C@@H]2CCC[C@@H]2O)c1C ZINC000089162441 349378185 /nfs/dbraw/zinc/37/81/85/349378185.db2.gz UXMGCNKKDNLXKD-QWRGUYRKSA-N 0 0 279.340 0.288 10 0 CCAERN O=C(C[C@H]1CCCCO1)N1CC[C@H](N2CCOCC2)C1 ZINC000120888027 350011177 /nfs/dbraw/zinc/01/11/77/350011177.db2.gz TUKNJLWJXMDNJE-UONOGXRCSA-N 0 0 282.384 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CCAERN COc1ccccc1CCN(C)C(=O)[C@@H](C)NC(N)=O ZINC000104456475 186007100 /nfs/dbraw/zinc/00/71/00/186007100.db2.gz PGLPYHXBGJOVJX-SNVBAGLBSA-N 0 0 279.340 0.753 10 0 CCAERN CCO[C@@H]1C[C@H]1C(=O)N1CCCC[C@H]1C(=O)OC ZINC000339699051 215303109 /nfs/dbraw/zinc/30/31/09/215303109.db2.gz WXDSJDAGCNHJDQ-OUAUKWLOSA-N 0 0 255.314 0.966 10 0 CCAERN CO[C@@H]1CC[C@@H]2OCCN(C(=O)[C@@H]3CCNC(=O)C3)[C@@H]2C1 ZINC000127158147 350163423 /nfs/dbraw/zinc/16/34/23/350163423.db2.gz INBIYNLCKQNFMR-LPWJVIDDSA-N 0 0 296.367 0.308 10 0 CCAERN CC(C)OCCC(=O)NC[C@H]1CN(C2CC2)CCO1 ZINC000127196749 350163512 /nfs/dbraw/zinc/16/35/12/350163512.db2.gz VRCDIDIQKPKAPF-ZDUSSCGKSA-N 0 0 270.373 0.781 10 0 CCAERN C[C@H](C(=O)NC[C@H](O)CN1CCOCC1)c1ccccc1 ZINC000127316115 350166561 /nfs/dbraw/zinc/16/65/61/350166561.db2.gz SXBCKNYPQRYXKU-ZFWWWQNUSA-N 0 0 292.379 0.599 10 0 CCAERN CCn1cc(C(=O)NC[C@H]2CN(C3CC3)CCO2)cn1 ZINC000127356030 350167339 /nfs/dbraw/zinc/16/73/39/350167339.db2.gz RTJIVLMIUUEWBW-ZDUSSCGKSA-N 0 0 278.356 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CCAERN CCn1ncc(I)cc1=O ZINC000130163462 350231560 /nfs/dbraw/zinc/23/15/60/350231560.db2.gz DFPGVCWAKMDUGF-UHFFFAOYSA-N 0 0 250.039 0.868 10 0 CCAERN O=C(c1ccc(O)cc1O)N1CC[C@@H](CCO)C1 ZINC000130183286 350231936 /nfs/dbraw/zinc/23/19/36/350231936.db2.gz HMHYLOBNNIQXBU-VIFPVBQESA-N 0 0 251.282 0.942 10 0 CCAERN Cc1cccc(O[C@H](C)C(=O)N2CCOC[C@@H]2C(N)=O)c1 ZINC000091785804 180256351 /nfs/dbraw/zinc/25/63/51/180256351.db2.gz GQJCWNNRFSCDMS-DGCLKSJQSA-N 0 0 292.335 0.475 10 0 CCAERN CCC(CC)(CO)CNC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000132992559 350321736 /nfs/dbraw/zinc/32/17/36/350321736.db2.gz PUPUGGFMONFAQI-LLVKDONJSA-N 0 0 295.387 0.691 10 0 CCAERN C[C@H](NC(=O)N[C@@H](C)[C@@H]1CCCO1)C(=O)N(C)C ZINC000191894342 299166742 /nfs/dbraw/zinc/16/67/42/299166742.db2.gz LRLJUEXYWHTZPQ-GUBZILKMSA-N 0 0 257.334 0.330 10 0 CCAERN C[C@H](C[S@](C)=O)NC(=O)c1cnc2c(c1)ncn2C ZINC000133742124 350343050 /nfs/dbraw/zinc/34/30/50/350343050.db2.gz VVQROYVBTFZSAZ-LILOVNGRSA-N 0 0 280.353 0.465 10 0 CCAERN CCc1ccc([C@@H]2COCCN2C(=O)[C@H]2CNC(=O)C2)o1 ZINC000133850499 350346737 /nfs/dbraw/zinc/34/67/37/350346737.db2.gz WXDIOGVXNUYUNU-PWSUYJOCSA-N 0 0 292.335 0.878 10 0 CCAERN C[C@H](O)CCn1cncc(I)c1=O ZINC000134035571 350352740 /nfs/dbraw/zinc/35/27/40/350352740.db2.gz FUFMIWIAGGBVDC-LURJTMIESA-N 0 0 294.092 0.619 10 0 CCAERN CCCCNC(=O)CN1CCCN(c2cccnn2)CC1 ZINC000105798258 186071087 /nfs/dbraw/zinc/07/10/87/186071087.db2.gz OWRGXLPGZUZQAT-UHFFFAOYSA-N 0 0 291.399 0.905 10 0 CCAERN C[C@H](C(N)=O)N1CCC(N(C)c2cccnn2)CC1 ZINC000105806075 186072405 /nfs/dbraw/zinc/07/24/05/186072405.db2.gz ANAHVTWMQGYSSZ-SNVBAGLBSA-N 0 0 263.345 0.251 10 0 CCAERN Cc1ccc(C(=O)NC[C@H]2CCC[C@H]2O)c(=O)[nH]1 ZINC000135092542 350384010 /nfs/dbraw/zinc/38/40/10/350384010.db2.gz PAZWEZVYFAJCNQ-MWLCHTKSSA-N 0 0 250.298 0.574 10 0 CCAERN Cc1ccc(N2CCCN([C@@H](C)C(N)=O)CC2)nn1 ZINC000105800621 186072752 /nfs/dbraw/zinc/07/27/52/186072752.db2.gz BORHVZBGAXBAJO-NSHDSACASA-N 0 0 263.345 0.171 10 0 CCAERN 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/nfs/dbraw/zinc/34/62/74/288346274.db2.gz WBUITYARPJYUAL-DCAQKATOSA-N 0 0 254.330 0.275 10 0 CCAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)N1CC[C@H](C(N)=O)C1 ZINC000117790990 289082597 /nfs/dbraw/zinc/08/25/97/289082597.db2.gz HUASRNFFPAYIIQ-NRUUGDAUSA-N 0 0 274.320 0.885 10 0 CCAERN CN1CCN(C(=O)N[C@@H]2CCC(=O)NC23CCC3)CC1 ZINC000334242479 290015050 /nfs/dbraw/zinc/01/50/50/290015050.db2.gz XOUMVAHTSHIDNW-LLVKDONJSA-N 0 0 280.372 0.145 10 0 CCAERN CN1CCOC[C@H]1C(=O)N[C@@H]1CCc2c1cccc2O ZINC000408035010 290072520 /nfs/dbraw/zinc/07/25/20/290072520.db2.gz IVUMMZUAJXTFII-OLZOCXBDSA-N 0 0 276.336 0.826 10 0 CCAERN CN1CN(S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)CC1=O ZINC000333304415 290260148 /nfs/dbraw/zinc/26/01/48/290260148.db2.gz KSKOUWFHCYKDLX-KXUCPTDWSA-N 0 0 258.343 0.236 10 0 CCAERN CN1C[C@@H](N2C(=O)N3CCC[C@]3(C)C2=O)CC1=O ZINC000272479505 290267918 /nfs/dbraw/zinc/26/79/18/290267918.db2.gz RIZMKPUDGVLSPK-QPUJVOFHSA-N 0 0 251.286 0.034 10 0 CCAERN Cc1nc2c(cnn2C)c(N2C[C@H](F)C[C@H]2C(N)=O)n1 ZINC000408034389 293414781 /nfs/dbraw/zinc/41/47/81/293414781.db2.gz SHEWSMSTZYCOEI-APPZFPTMSA-N 0 0 278.291 0.074 10 0 CCAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCC[C@H](O)C1 ZINC000408376637 293501792 /nfs/dbraw/zinc/50/17/92/293501792.db2.gz XJSMEJBQRJEABG-QWRGUYRKSA-N 0 0 279.344 0.588 10 0 CCAERN C[C@@H]1CN(S(=O)(=O)N2CCCC[C@H]2C)C[C@H]1C(N)=O ZINC000408029145 297047713 /nfs/dbraw/zinc/04/77/13/297047713.db2.gz GULUVVDCTFWWAM-GMTAPVOTSA-N 0 0 289.401 0.159 10 0 CCAERN Clc1nnc(N2CCOCC2)c2nccnc12 ZINC000040538855 294127127 /nfs/dbraw/zinc/12/71/27/294127127.db2.gz RAEJYOCQZMLGNJ-UHFFFAOYSA-N 0 0 251.677 0.910 10 0 CCAERN Cn1c2c(c(=O)n1C)CN(C(=O)c1ccco1)CCC2 ZINC000096070106 294175036 /nfs/dbraw/zinc/17/50/36/294175036.db2.gz JFDKCTQHQHYINQ-UHFFFAOYSA-N 0 0 275.308 0.905 10 0 CCAERN C[C@H]1CCCN1S(=O)(=O)N[C@@H]1CCCn2ncnc21 ZINC000185051150 299863667 /nfs/dbraw/zinc/86/36/67/299863667.db2.gz ZKKWZACPGWMAPO-VHSXEESVSA-N 0 0 285.373 0.432 10 0 CCAERN COc1cc(OC)nc(N2CC[C@H]3[C@@H](C2)NC(=O)N3C)n1 ZINC000286201918 295014705 /nfs/dbraw/zinc/01/47/05/295014705.db2.gz LIJIKCPMNBFXIY-BDAKNGLRSA-N 0 0 293.327 0.096 10 0 CCAERN COc1cc([C@@H]2NC(=O)[C@@H]3COCCN23)ccc1O ZINC000093884888 295021306 /nfs/dbraw/zinc/02/13/06/295021306.db2.gz RMFYULLQFHDHSP-JOYOIKCWSA-N 0 0 264.281 0.230 10 0 CCAERN NS(=O)(=O)[C@@H]1C=CN=C(Br)[C@@H]1OC1CC1 ZINC000095741987 295285721 /nfs/dbraw/zinc/28/57/21/295285721.db2.gz FLFNMIUXLJBQMR-RNFRBKRXSA-N 0 0 295.158 0.512 10 0 CCAERN Nc1ncnc2c(I)n[nH]c21 ZINC000215909638 295344048 /nfs/dbraw/zinc/34/40/48/295344048.db2.gz IEOMLFDXZAKIKB-UHFFFAOYSA-N 0 0 261.026 0.491 10 0 CCAERN Nc1cccc(C(=O)N2CC[C@H](N3CCOCC3)C2)n1 ZINC000062985006 295361031 /nfs/dbraw/zinc/36/10/31/295361031.db2.gz NFBSWNLYWZBHAJ-NSHDSACASA-N 0 0 276.340 0.211 10 0 CCAERN O=C(COC[C@@H]1CCOC1)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000172351511 295526309 /nfs/dbraw/zinc/52/63/09/295526309.db2.gz IACUGTMJUIFTED-DPORPMIOSA-N 0 0 283.368 0.659 10 0 CCAERN O=C(NC1CC1)C(=O)N1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000335182252 295603764 /nfs/dbraw/zinc/60/37/64/295603764.db2.gz RTANSRMTHAQNPP-QWRGUYRKSA-N 0 0 264.325 0.293 10 0 CCAERN C[C@@H]1C[C@@H](C(=O)N[C@@H]2CCCN(C)C2=O)C[C@H](C)O1 ZINC000408076957 297210770 /nfs/dbraw/zinc/21/07/70/297210770.db2.gz QHIZFJOOQQZYDE-WRWGMCAJSA-N 0 0 268.357 0.927 10 0 CCAERN C[C@@H]1OCC[C@@H]1NC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000372337527 297598017 /nfs/dbraw/zinc/59/80/17/297598017.db2.gz CWQJTWZFSWOVGH-XHSYRHOGSA-N 0 0 284.381 0.734 10 0 CCAERN C[C@@H]1OCC[C@@H]1NS(=O)(=O)c1ccc(N)cc1 ZINC000134236043 297599086 /nfs/dbraw/zinc/59/90/86/297599086.db2.gz OTNLBOQMEJRYEQ-KWQFWETISA-N 0 0 256.327 0.725 10 0 CCAERN C[C@@H]1OCC[C@H]1NC(=O)N1CCOC[C@@H]1C1CC1 ZINC000129115612 297628686 /nfs/dbraw/zinc/62/86/86/297628686.db2.gz JKZGGTFCXWMBKG-MVWJERBFSA-N 0 0 254.330 0.984 10 0 CCAERN C[C@@H]1OCC[C@H]1NC(=O)N[C@@H]1CCC(=O)NC12CCC2 ZINC000332730105 297629793 /nfs/dbraw/zinc/62/97/93/297629793.db2.gz YROREKQOJDKVAK-HBNTYKKESA-N 0 0 281.356 0.664 10 0 CCAERN C[C@@H]1[C@@H](CO)CCN1C(=O)N(C)C1CCOCC1 ZINC000335051279 297713525 /nfs/dbraw/zinc/71/35/25/297713525.db2.gz XMYPVHCYHZGVKA-GHMZBOCLSA-N 0 0 256.346 0.920 10 0 CCAERN C[C@@]1(C(=O)N2CCN(C3CC3)C(=O)C2)CCCNC1=O ZINC000328646306 297860884 /nfs/dbraw/zinc/86/08/84/297860884.db2.gz GVDYDAFDKUAFJI-CQSZACIVSA-N 0 0 279.340 0.576 10 0 CCAERN C[C@H]1CN(C(=O)c2cccn(C)c2=O)C[C@H](C)O1 ZINC000170222166 300201874 /nfs/dbraw/zinc/20/18/74/300201874.db2.gz RWVDSQLNZFBJOR-UWVGGRQHSA-N 0 0 250.298 0.635 10 0 CCAERN C[C@H]1CN(C)CCN1C(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000408111771 300212972 /nfs/dbraw/zinc/21/29/72/300212972.db2.gz FFSSFWDVYUWITO-NSHDSACASA-N 0 0 296.392 0.866 10 0 CCAERN C[C@H]1CN(Cc2ncnn2C(C)(C)C)CC[S@]1=O ZINC000407984229 300273789 /nfs/dbraw/zinc/27/37/89/300273789.db2.gz WLQVWZAZTMTTIZ-YPMLDQLKSA-N 0 0 270.402 0.986 10 0 CCAERN C[C@H]1CN(S(=O)(=O)CC(F)(F)F)[C@@H](C)CO1 ZINC000335757141 300275829 /nfs/dbraw/zinc/27/58/29/300275829.db2.gz IXMPOLXPNLAOET-BQBZGAKWSA-N 0 0 261.265 0.988 10 0 CCAERN C[C@H]1CN(S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)CC(=O)N1 ZINC000333101744 300285648 /nfs/dbraw/zinc/28/56/48/300285648.db2.gz CJOQOGXPBWSAIC-ZRUFSTJUSA-N 0 0 272.370 0.325 10 0 CCAERN C[C@H]1OCC[C@@]1(O)CNC(=O)[C@H]1CCCO[C@H]1C ZINC000408448791 300613691 /nfs/dbraw/zinc/61/36/91/300613691.db2.gz AXGNWGSSSNSSEH-SRRSOLGSSA-N 0 0 257.330 0.458 10 0 CCAERN Cc1cc(=O)[nH]cc1C(=O)N1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000329926685 301376339 /nfs/dbraw/zinc/37/63/39/301376339.db2.gz KYTUJWNZOLIPGK-RYUDHWBXSA-N 0 0 277.324 0.251 10 0 CCAERN O=S(=O)(C[C@@H]1CCOC1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000106448609 304748236 /nfs/dbraw/zinc/74/82/36/304748236.db2.gz GGGKUHQBEZJCDG-FRRDWIJNSA-N 0 0 289.397 0.996 10 0 CCAERN O=S(=O)([C@@H]1C[C@@H]2CC[C@H]1C2)N1CCS(=O)(=O)CC1 ZINC000333186728 304770662 /nfs/dbraw/zinc/77/06/62/304770662.db2.gz QYMXYIBMCWLCHZ-OUAUKWLOSA-N 0 0 293.410 0.235 10 0 CCAERN Cc1nnc([C@H](C)N2C[C@@H](C)O[C@H](C(N)=O)C2)s1 ZINC000408192894 302823749 /nfs/dbraw/zinc/82/37/49/302823749.db2.gz ATPCAZVYQORGTH-FJXKBIBVSA-N 0 0 270.358 0.482 10 0 CCAERN NC(=O)[C@@H]1COCCN1C(=O)c1cccc(Cl)n1 ZINC000126750861 303307531 /nfs/dbraw/zinc/30/75/31/303307531.db2.gz JDGPCXQAGIJRBK-QMMMGPOBSA-N 0 0 269.688 0.061 10 0 CCAERN C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])[C@@H]1CC[NH3+] ZINC000404283703 545091055 /nfs/dbraw/zinc/09/10/55/545091055.db2.gz PRDJWLGQSMUJQO-GWOFURMSSA-N 0 0 254.330 0.683 10 0 CCAERN CO[C@@]1(C(=O)N2CCCc3n[nH]cc3C2)CCOC1 ZINC000404604374 545091534 /nfs/dbraw/zinc/09/15/34/545091534.db2.gz ATKJZJNUTRMYQQ-ZDUSSCGKSA-N 0 0 265.313 0.490 10 0 CCAERN CCCCOCC(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000174331319 335152696 /nfs/dbraw/zinc/15/26/96/335152696.db2.gz RRRCRZSZNSJLLU-QWHCGFSZSA-N 0 0 272.389 0.717 10 0 CCAERN C[C@@H]1CC[C@@H](C(=O)NC2(C(N)=O)CCCCC2)O1 ZINC000178127264 335418432 /nfs/dbraw/zinc/41/84/32/335418432.db2.gz PTIDNKGDBONLQB-ZJUUUORDSA-N 0 0 254.330 0.858 10 0 CCAERN CC[C@H](O)CN1CCN(C(=O)N[C@@H](C)CCOC)CC1 ZINC000185015505 335944484 /nfs/dbraw/zinc/94/44/84/335944484.db2.gz NCZSEXUEQFKMOO-STQMWFEESA-N 0 0 287.404 0.510 10 0 CCAERN CCOC(=O)CN(CC)Cc1nnc(C)n1CC ZINC000195114887 336045904 /nfs/dbraw/zinc/04/59/04/336045904.db2.gz YYFLVOSJYATIGN-UHFFFAOYSA-N 0 0 254.334 0.991 10 0 CCAERN CCn1cc(S(=O)(=O)N2CCC[C@H](O)[C@H]2C)nc1C ZINC000384870030 336133329 /nfs/dbraw/zinc/13/33/29/336133329.db2.gz OPOMSWDWCXXKCT-KOLCDFICSA-N 0 0 287.385 0.745 10 0 CCAERN COCC(=O)[C@@H]1COC[C@@H]1NC(=O)OC(C)(C)C ZINC000406011931 545092444 /nfs/dbraw/zinc/09/24/44/545092444.db2.gz ALSHEWVXEUYKHB-BDAKNGLRSA-N 0 0 259.302 0.742 10 0 CCAERN CC[NH2+][C@H](CCSc1nccc(=O)[nH]1)C(=O)[O-] ZINC000062596552 520194049 /nfs/dbraw/zinc/19/40/49/520194049.db2.gz LBEQUPMNCOHBLG-SSDOTTSWSA-N 0 0 257.315 0.315 10 0 CCAERN CN(CC(=O)c1nnn(C)n1)C(=O)OC(C)(C)C ZINC000405471050 545092512 /nfs/dbraw/zinc/09/25/12/545092512.db2.gz HHYVNSZGUMYRRI-UHFFFAOYSA-N 0 0 255.278 0.260 10 0 CCAERN CNc1cc(S(=O)(=O)NC[C@H]2CCCO2)ccn1 ZINC000050635287 522572839 /nfs/dbraw/zinc/57/28/39/522572839.db2.gz NAFIZISSTAYRTQ-SECBINFHSA-N 0 0 271.342 0.581 10 0 CCAERN C[C@@H](CO)CNS(=O)(=O)C[C@H]1CCCCO1 ZINC000178622306 534111857 /nfs/dbraw/zinc/11/18/57/534111857.db2.gz YCORIQJZNRTBTO-NXEZZACHSA-N 0 0 251.348 0.103 10 0 CCAERN CC[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C)CCO1 ZINC000408423713 517788118 /nfs/dbraw/zinc/78/81/18/517788118.db2.gz BFNASAJBGKNRHQ-HBNTYKKESA-N 0 0 269.345 0.474 10 0 CCAERN CC(C)C[C@H](C[NH+](C)C)N1C[C@@H](C(=O)[O-])CC1=O ZINC000049550854 519336464 /nfs/dbraw/zinc/33/64/64/519336464.db2.gz KWDJGVOXHAKFHV-WDEREUQCSA-N 0 0 256.346 0.896 10 0 CCAERN CC(C)C(=O)CNS(=O)(=O)N1CCCC[C@H]1C ZINC000086515939 519450964 /nfs/dbraw/zinc/45/09/64/519450964.db2.gz VPNQCYOECHIFMX-SNVBAGLBSA-N 0 0 262.375 0.920 10 0 CCAERN CCCNC(=O)[C@H](C)Nc1nc(Cl)nc(N(C)C)n1 ZINC000061539280 519893905 /nfs/dbraw/zinc/89/39/05/519893905.db2.gz NDHZMYYJVRJJKA-ZETCQYMHSA-N 0 0 286.767 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CCAERN CC(C)C[NH2+]CC(=O)NCc1ncc(C(=O)[O-])s1 ZINC000720640340 978046763 /nfs/dbraw/zinc/04/67/63/978046763.db2.gz HQCYXXCZCUFGQO-UHFFFAOYSA-N 0 0 271.342 0.703 10 0 CCAERN C[NH+]1CCC(C(=O)NCC(C)(C)CC(=O)[O-])CC1 ZINC000720934581 978087715 /nfs/dbraw/zinc/08/77/15/978087715.db2.gz QORYPLHFRKGGJY-UHFFFAOYSA-N 0 0 256.346 0.945 10 0 CCAERN O=C([O-])C1(NC(=O)[C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)CCCC1 ZINC000720971424 978090532 /nfs/dbraw/zinc/09/05/32/978090532.db2.gz DLTQWBRMYNPNQW-KXUCPTDWSA-N 0 0 252.314 0.356 10 0 CCAERN C[C@@]1(C[NH3+])CCN(C(=O)c2csc(C(=O)[O-])n2)C1 ZINC000721472881 978112164 /nfs/dbraw/zinc/11/21/64/978112164.db2.gz XGCHEXWMZHWGJI-NSHDSACASA-N 0 0 269.326 0.652 10 0 CCAERN C[N@@H+]1CC[C@@H](CNC(=O)c2csc(C(=O)[O-])n2)C1 ZINC000721472843 978112174 /nfs/dbraw/zinc/11/21/74/978112174.db2.gz WRTUYIBSCCZCMO-ZETCQYMHSA-N 0 0 269.326 0.523 10 0 CCAERN CCC[C@](C)(NC(=O)C[C@@H]1C[NH2+]C[C@H]1C)C(=O)[O-] ZINC000722587948 978146570 /nfs/dbraw/zinc/14/65/70/978146570.db2.gz UZLBKULAPXGGKT-BREBYQMCSA-N 0 0 256.346 0.992 10 0 CCAERN C[C@@H]1[C@@H](NC(=O)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)CC[N@@H+]1C ZINC000722672916 978161937 /nfs/dbraw/zinc/16/19/37/978161937.db2.gz DTLDPXQIRKUETC-KKOKHZNYSA-N 0 0 283.372 0.831 10 0 CCAERN C[C@@H]1CN(C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)C[C@H]1C[NH3+] ZINC000723844185 978218222 /nfs/dbraw/zinc/21/82/22/978218222.db2.gz LBWYVLPCCSGCAW-NOOOWODRSA-N 0 0 268.357 0.931 10 0 CCAERN C[C@@H]1C[N@H+](C[C@@H]2C[C@H]3COC[C@@H]3O2)C[C@H]1CC(=O)[O-] ZINC000724578446 978230692 /nfs/dbraw/zinc/23/06/92/978230692.db2.gz PURUCYIVYJQMBA-BNDIWNMDSA-N 0 0 269.341 0.833 10 0 CCAERN O=C([O-])[C@]12CCC[C@H]1C[N@H+](C[C@@H]1C[C@H]3COC[C@@H]3O1)C2 ZINC000724578795 978230933 /nfs/dbraw/zinc/23/09/33/978230933.db2.gz QHXHIEJYGFIWNQ-CXOVXGEYSA-N 0 0 281.352 0.977 10 0 CCAERN