smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c[nH+]c(CCNC(=O)c2cnccc2C)n1CC1CC1 ZINC000581817136 803549834 /nfs/dbraw/zinc/54/98/34/803549834.db2.gz SHZJWPNTTBUKNX-UHFFFAOYSA-N 1 1 298.390 2.277 50 0 CEAAMO CCC[N@H+]1CCC[C@@H](c2nc(C(C)(C)NC(C)=O)no2)C1 ZINC000952850157 815070059 /nfs/dbraw/zinc/07/00/59/815070059.db2.gz UZFYLXNDGNQZGX-GFCCVEGCSA-N 1 1 294.399 2.030 50 0 CEAAMO CCOC(=O)[C@H](F)[C@@H]1CC[N@@H+](C[C@@H]2CCO[C@@H](C)C2)C1 ZINC000952880218 815074975 /nfs/dbraw/zinc/07/49/75/815074975.db2.gz CBKURZLZOBTGAQ-REWJHTLYSA-N 1 1 287.375 2.025 50 0 CEAAMO C[C@@H](CC(N)=O)N(C)Cc1c(Cl)ccc(O)c1Cl ZINC000952978689 815089686 /nfs/dbraw/zinc/08/96/86/815089686.db2.gz BTYZYFNTMJLEDH-ZETCQYMHSA-N 1 1 291.178 2.395 50 0 CEAAMO c1csc(C[N@@H+]2CCCN(Cc3c[nH]cn3)CC2)c1 ZINC000952990669 815096389 /nfs/dbraw/zinc/09/63/89/815096389.db2.gz ZZAVOSWCPJCEBJ-UHFFFAOYSA-N 1 1 276.409 2.179 50 0 CEAAMO c1csc(C[N@H+]2CCCN(Cc3cnc[nH]3)CC2)c1 ZINC000952990669 815096396 /nfs/dbraw/zinc/09/63/96/815096396.db2.gz ZZAVOSWCPJCEBJ-UHFFFAOYSA-N 1 1 276.409 2.179 50 0 CEAAMO c1csc(C[N@@H+]2CCCN(Cc3cnc[nH]3)CC2)c1 ZINC000952990669 815096403 /nfs/dbraw/zinc/09/64/03/815096403.db2.gz ZZAVOSWCPJCEBJ-UHFFFAOYSA-N 1 1 276.409 2.179 50 0 CEAAMO Cc1c[nH+]c(NCc2cnn(-c3ccc(F)cc3)c2)nc1N ZINC000032560945 807411369 /nfs/dbraw/zinc/41/13/69/807411369.db2.gz DACPRCARVZHBQL-UHFFFAOYSA-N 1 1 298.325 2.304 50 0 CEAAMO Cc1cccc(-c2ncc(C[NH2+]CC(=O)NC(C)C)cn2)c1 ZINC000063882590 810179463 /nfs/dbraw/zinc/17/94/63/810179463.db2.gz IEEDZIIMYUMRFI-UHFFFAOYSA-N 1 1 298.390 2.066 50 0 CEAAMO CC[N@H+]1CCC[C@H]1CN(C)CCC1(O)CCCC1 ZINC000823110199 810606048 /nfs/dbraw/zinc/60/60/48/810606048.db2.gz OCYPOGWAYFIQPR-AWEZNQCLSA-N 1 1 254.418 2.098 50 0 CEAAMO CCN1CCC[C@H]1C[N@H+](C)CCC1(O)CCCC1 ZINC000823110199 810606052 /nfs/dbraw/zinc/60/60/52/810606052.db2.gz OCYPOGWAYFIQPR-AWEZNQCLSA-N 1 1 254.418 2.098 50 0 CEAAMO CCN1CCC[C@H]1C[N@@H+](C)CCC1(O)CCCC1 ZINC000823110199 810606057 /nfs/dbraw/zinc/60/60/57/810606057.db2.gz OCYPOGWAYFIQPR-AWEZNQCLSA-N 1 1 254.418 2.098 50 0 CEAAMO CCc1[nH+]ccn1CCC(=O)NCCc1cccc(F)c1 ZINC000823557611 810619716 /nfs/dbraw/zinc/61/97/16/810619716.db2.gz XVROLHGXIDBXJE-UHFFFAOYSA-N 1 1 289.354 2.334 50 0 CEAAMO COCc1n[nH]c(CC2CC(C)(C)[NH2+]C(C)(C)C2)n1 ZINC000824485496 810702005 /nfs/dbraw/zinc/70/20/05/810702005.db2.gz XJPSZZCISXZBCH-UHFFFAOYSA-N 1 1 266.389 2.050 50 0 CEAAMO Cc1c[nH+]c(CCNC(=O)COc2ccccc2)n1C1CC1 ZINC000581815523 811166597 /nfs/dbraw/zinc/16/65/97/811166597.db2.gz MAMKMGZMZKWPFP-UHFFFAOYSA-N 1 1 299.374 2.264 50 0 CEAAMO C[C@H]1CCC[N@@H+](CCNc2nc3ccccc3c(=O)[nH]2)C1 ZINC000097995066 230389089 /nfs/dbraw/zinc/38/90/89/230389089.db2.gz QJMWYCOJYZJZKP-LBPRGKRZSA-N 1 1 286.379 2.067 50 0 CEAAMO O=C(C[N@@H+]1CCc2ccccc2C1)NCCc1ccccc1 ZINC000035800817 361823656 /nfs/dbraw/zinc/82/36/56/361823656.db2.gz UVCHXXCHDWPCOW-UHFFFAOYSA-N 1 1 294.398 2.404 50 0 CEAAMO O=C(C[N@H+]1CCc2ccccc2C1)NCCc1ccccc1 ZINC000035800817 361823661 /nfs/dbraw/zinc/82/36/61/361823661.db2.gz UVCHXXCHDWPCOW-UHFFFAOYSA-N 1 1 294.398 2.404 50 0 CEAAMO Cn1cccc1C[N@@H+](C[C@H](O)COC(C)(C)C)C1CC1 ZINC000036098160 361828124 /nfs/dbraw/zinc/82/81/24/361828124.db2.gz HGOAVNNFPPIACW-HNNXBMFYSA-N 1 1 280.412 2.166 50 0 CEAAMO CC[N@H+](C)Cc1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000036156077 361831498 /nfs/dbraw/zinc/83/14/98/361831498.db2.gz AKGAPIZLKPYGHT-UHFFFAOYSA-N 1 1 277.393 2.315 50 0 CEAAMO CC[N@@H+](C)Cc1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000036156077 361831503 /nfs/dbraw/zinc/83/15/03/361831503.db2.gz AKGAPIZLKPYGHT-UHFFFAOYSA-N 1 1 277.393 2.315 50 0 CEAAMO C[C@H](Cc1ccc(F)cc1)[N@H+]1CCC[C@H](CO)C1 ZINC000042465306 362098503 /nfs/dbraw/zinc/09/85/03/362098503.db2.gz MWVDHWRBVYQLFD-OCCSQVGLSA-N 1 1 251.345 2.461 50 0 CEAAMO Cc1cccc([C@@H]2C[C@H]2C(=O)N2CC[N@@H+](C)C[C@H]2C)c1 ZINC000685939457 539305755 /nfs/dbraw/zinc/30/57/55/539305755.db2.gz FRLGPNSPUHITHD-VNQPRFMTSA-N 1 1 272.392 2.261 50 0 CEAAMO Cc1cccc([C@@H]2C[C@H]2C(=O)N2CC[N@H+](C)C[C@H]2C)c1 ZINC000685939457 539305756 /nfs/dbraw/zinc/30/57/56/539305756.db2.gz FRLGPNSPUHITHD-VNQPRFMTSA-N 1 1 272.392 2.261 50 0 CEAAMO C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC000685939506 539305902 /nfs/dbraw/zinc/30/59/02/539305902.db2.gz XROMDXLDNQURPE-UPJWGTAASA-N 1 1 250.386 2.166 50 0 CEAAMO Cc1cccc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000046995850 362194551 /nfs/dbraw/zinc/19/45/51/362194551.db2.gz NKTFQGLMWLFZCI-HUUCEWRRSA-N 1 1 258.365 2.352 50 0 CEAAMO Cc1cnc(C[NH2+][C@H]2CCCC[C@@H]2n2cccn2)o1 ZINC000127948684 187342289 /nfs/dbraw/zinc/34/22/89/187342289.db2.gz AMHUVFAMIXZNHH-STQMWFEESA-N 1 1 260.341 2.453 50 0 CEAAMO c1cnn(C[C@H]2CCC[N@@H+]2Cc2nnc(-c3ccco3)o2)c1 ZINC000071875429 343802043 /nfs/dbraw/zinc/80/20/43/343802043.db2.gz NLSKAXGFJXELMH-GFCCVEGCSA-N 1 1 299.334 2.191 50 0 CEAAMO c1cnn(C[C@H]2CCC[N@H+]2Cc2nnc(-c3ccco3)o2)c1 ZINC000071875429 343802047 /nfs/dbraw/zinc/80/20/47/343802047.db2.gz NLSKAXGFJXELMH-GFCCVEGCSA-N 1 1 299.334 2.191 50 0 CEAAMO Cn1cnc2c1CC[N@H+](C/C=C/c1ccccc1)C2 ZINC000069616357 343789248 /nfs/dbraw/zinc/78/92/48/343789248.db2.gz MABMQLGDAGSXEP-VMPITWQZSA-N 1 1 253.349 2.492 50 0 CEAAMO Cn1cnc2c1CC[N@@H+](C/C=C/c1ccccc1)C2 ZINC000069616357 343789249 /nfs/dbraw/zinc/78/92/49/343789249.db2.gz MABMQLGDAGSXEP-VMPITWQZSA-N 1 1 253.349 2.492 50 0 CEAAMO CC(C)C[N@H+]1CCCN(C(=O)C2CC=CC2)CC1 ZINC000077001234 343904414 /nfs/dbraw/zinc/90/44/14/343904414.db2.gz RIERTEAQEBUJDZ-UHFFFAOYSA-N 1 1 250.386 2.143 50 0 CEAAMO O=C1CCC(=O)N1CC[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000048260781 362252151 /nfs/dbraw/zinc/25/21/51/362252151.db2.gz SACDDNGSHWFSKC-GFCCVEGCSA-N 1 1 278.377 2.034 50 0 CEAAMO COC(C)(C)C[C@H](C)Nc1cc[nH+]c(N(C)C)n1 ZINC000078402397 343951170 /nfs/dbraw/zinc/95/11/70/343951170.db2.gz JZRBGHSTSUCYMS-JTQLQIEISA-N 1 1 252.362 2.158 50 0 CEAAMO C[NH2+][C@@]1(c2cc(OC)ccc2F)CCCCC1=O ZINC000096027575 344239303 /nfs/dbraw/zinc/23/93/03/344239303.db2.gz IXHDXLYQEZVOPT-CQSZACIVSA-N 1 1 251.301 2.392 50 0 CEAAMO Cc1cnn(C[C@H]2CCCC[N@H+]2[C@H](C)c2nc(C)no2)c1 ZINC000106784082 344259173 /nfs/dbraw/zinc/25/91/73/344259173.db2.gz KWQOWEJJQZTZTE-TZMCWYRMSA-N 1 1 289.383 2.499 50 0 CEAAMO Cc1cnn(C[C@H]2CCCC[N@@H+]2[C@H](C)c2nc(C)no2)c1 ZINC000106784082 344259175 /nfs/dbraw/zinc/25/91/75/344259175.db2.gz KWQOWEJJQZTZTE-TZMCWYRMSA-N 1 1 289.383 2.499 50 0 CEAAMO Cc1ccc([C@@H](C)[N@@H+](C)C[C@H](O)CN2CCCC2=O)s1 ZINC000170625282 344487354 /nfs/dbraw/zinc/48/73/54/344487354.db2.gz XMPONFVMQMEMBH-OLZOCXBDSA-N 1 1 296.436 2.033 50 0 CEAAMO C[N@H+]1CCC[C@@H]1CNC(=O)CCCOCc1ccccc1 ZINC000051383524 362429857 /nfs/dbraw/zinc/42/98/57/362429857.db2.gz RDBSCNACCNKNKF-MRXNPFEDSA-N 1 1 290.407 2.194 50 0 CEAAMO CC[N@H+](Cc1ccc(F)c(F)c1)C[C@@H](O)Cn1cccn1 ZINC000052131682 362468616 /nfs/dbraw/zinc/46/86/16/362468616.db2.gz NAMCAKMCIZOVKP-CYBMUJFWSA-N 1 1 295.333 2.044 50 0 CEAAMO C[N@@H+](CCCc1ccccc1)CC(=O)N1CCCC1 ZINC000053149612 362484536 /nfs/dbraw/zinc/48/45/36/362484536.db2.gz FIYVDBMWUZUJEZ-UHFFFAOYSA-N 1 1 260.381 2.173 50 0 CEAAMO CC[N@@H+](C)C1(CNC(=O)[C@H]2CC[C@@H](O)CC2)CCCCC1 ZINC000584899181 345002678 /nfs/dbraw/zinc/00/26/78/345002678.db2.gz KLVMPGPVCXKUER-GASCZTMLSA-N 1 1 296.455 2.308 50 0 CEAAMO COc1cccc2ncn([C@H](C)c3[nH]cc(C)[nH+]3)c(=O)c21 ZINC000584901107 345003491 /nfs/dbraw/zinc/00/34/91/345003491.db2.gz DLJCTCOOQUIOSY-SNVBAGLBSA-N 1 1 284.319 2.046 50 0 CEAAMO CC(C)COC1CC[NH+]([C@H](C(N)=O)c2ccccc2)CC1 ZINC000054325632 362529010 /nfs/dbraw/zinc/52/90/10/362529010.db2.gz NXYZYIOKPACNIG-INIZCTEOSA-N 1 1 290.407 2.350 50 0 CEAAMO CCCCc1nc(C[N@@H+]2CCC[C@@H]2CO)cs1 ZINC000058166656 362610904 /nfs/dbraw/zinc/61/09/04/362610904.db2.gz UENUITYPIGSCNS-GFCCVEGCSA-N 1 1 254.399 2.442 50 0 CEAAMO CCCCc1nc(C[N@H+]2CCC[C@@H]2CO)cs1 ZINC000058166656 362610912 /nfs/dbraw/zinc/61/09/12/362610912.db2.gz UENUITYPIGSCNS-GFCCVEGCSA-N 1 1 254.399 2.442 50 0 CEAAMO Cc1noc(C[N@@H+]2CCCC[C@H]2[C@H](O)c2ccccc2)n1 ZINC000058306239 362621930 /nfs/dbraw/zinc/62/19/30/362621930.db2.gz LQWDGKZQNVIJHI-GOEBONIOSA-N 1 1 287.363 2.466 50 0 CEAAMO Cc1noc(C[N@H+]2CCCC[C@H]2[C@H](O)c2ccccc2)n1 ZINC000058306239 362621934 /nfs/dbraw/zinc/62/19/34/362621934.db2.gz LQWDGKZQNVIJHI-GOEBONIOSA-N 1 1 287.363 2.466 50 0 CEAAMO C[N@H+](CC(=O)Nc1cnc2ccccc2c1)C1CC1 ZINC000058003969 362604938 /nfs/dbraw/zinc/60/49/38/362604938.db2.gz ZXGCDHLBOACZRU-UHFFFAOYSA-N 1 1 255.321 2.268 50 0 CEAAMO C[N@@H+](CC(=O)Nc1cnc2ccccc2c1)C1CC1 ZINC000058003969 362604942 /nfs/dbraw/zinc/60/49/42/362604942.db2.gz ZXGCDHLBOACZRU-UHFFFAOYSA-N 1 1 255.321 2.268 50 0 CEAAMO NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000060178738 362657681 /nfs/dbraw/zinc/65/76/81/362657681.db2.gz QWFKQZDEEGHDFX-NSHDSACASA-N 1 1 286.297 2.403 50 0 CEAAMO C[C@](O)(C[NH2+]Cc1csnn1)c1ccccc1Cl ZINC000097379117 185594049 /nfs/dbraw/zinc/59/40/49/185594049.db2.gz UBWKZBNPWFCYHT-LBPRGKRZSA-N 1 1 283.784 2.189 50 0 CEAAMO Cc1nnsc1CN(C)CC[C@@H]1CCCC[N@H+]1C ZINC000299754937 539520262 /nfs/dbraw/zinc/52/02/62/539520262.db2.gz CWKWSOYHFYLKCM-LBPRGKRZSA-N 1 1 268.430 2.153 50 0 CEAAMO COc1ccccc1[C@H](C)[N@H+](C)Cc1cnc(N)nc1 ZINC000065372639 362813030 /nfs/dbraw/zinc/81/30/30/362813030.db2.gz MOAKPZGPVSQVFR-NSHDSACASA-N 1 1 272.352 2.260 50 0 CEAAMO COc1ccccc1[C@H](C)[N@@H+](C)Cc1cnc(N)nc1 ZINC000065372639 362813031 /nfs/dbraw/zinc/81/30/31/362813031.db2.gz MOAKPZGPVSQVFR-NSHDSACASA-N 1 1 272.352 2.260 50 0 CEAAMO C[N@@H+](CCCn1cccn1)C1Cc2ccccc2C1 ZINC000065375569 362811844 /nfs/dbraw/zinc/81/18/44/362811844.db2.gz VEIJAQYBHRIBDO-UHFFFAOYSA-N 1 1 255.365 2.372 50 0 CEAAMO Cn1cc(C2=CCN(CC[C@H]3CCCC[N@H+]3C)CC2)cn1 ZINC000065426425 362820905 /nfs/dbraw/zinc/82/09/05/362820905.db2.gz VAORXRQCTUAERR-QGZVFWFLSA-N 1 1 288.439 2.384 50 0 CEAAMO Cn1cc(C2=CCN(CC[C@@H]3CCCC[N@H+]3C)CC2)cn1 ZINC000065426422 362821672 /nfs/dbraw/zinc/82/16/72/362821672.db2.gz VAORXRQCTUAERR-KRWDZBQOSA-N 1 1 288.439 2.384 50 0 CEAAMO Brc1cnc(N[C@@H]2CC[N@H+]3CCCC[C@H]23)nc1 ZINC000067119844 362901421 /nfs/dbraw/zinc/90/14/21/362901421.db2.gz NBEMGWVFUONURE-GHMZBOCLSA-N 1 1 297.200 2.278 50 0 CEAAMO C[C@@H](NC(=O)[C@H]1COCC[NH2+]1)c1ccc(C(C)(C)C)cc1 ZINC000088358266 539648354 /nfs/dbraw/zinc/64/83/54/539648354.db2.gz TUOVIYCALPGZEE-IUODEOHRSA-N 1 1 290.407 2.150 50 0 CEAAMO CC(C)c1cc(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)no1 ZINC000067934311 362931654 /nfs/dbraw/zinc/93/16/54/362931654.db2.gz FADJNRMXIBNOHK-LBPRGKRZSA-N 1 1 279.384 2.260 50 0 CEAAMO CN(C)C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000068201451 362937447 /nfs/dbraw/zinc/93/74/47/362937447.db2.gz GKLLYBKCABUHDQ-ZDUSSCGKSA-N 1 1 264.344 2.126 50 0 CEAAMO CSCCC[N@H+]1CC[C@@H](Cc2cccc(C(N)=O)c2)C1 ZINC000091440743 180156467 /nfs/dbraw/zinc/15/64/67/180156467.db2.gz FTIITTKPVACMCN-AWEZNQCLSA-N 1 1 292.448 2.403 50 0 CEAAMO Cc1cc(C[N@H+]2CC[C@@](O)(C3CCC3)[C@H](C)C2)on1 ZINC000091452352 180159646 /nfs/dbraw/zinc/15/96/46/180159646.db2.gz MNUOAIVFBXIQNR-ABAIWWIYSA-N 1 1 264.369 2.356 50 0 CEAAMO Cn1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](C)C3)c2ccccc21 ZINC000091416735 180149470 /nfs/dbraw/zinc/14/94/70/180149470.db2.gz DONNDKUDKGKSKW-UONOGXRCSA-N 1 1 297.402 2.345 50 0 CEAAMO COCC[C@]1(CO)CCC[N@@H+](Cc2nc(C)c(C)s2)C1 ZINC000091706981 180230489 /nfs/dbraw/zinc/23/04/89/180230489.db2.gz BWOTZHOAYOUBNX-OAHLLOKOSA-N 1 1 298.452 2.371 50 0 CEAAMO CCc1c[nH+]c(N)nc1N(C)CC[C@@H]1CCCCO1 ZINC000091713261 180231111 /nfs/dbraw/zinc/23/11/11/180231111.db2.gz QJXJGDBUVNSCOS-LBPRGKRZSA-N 1 1 264.373 2.017 50 0 CEAAMO Cc1ccc2c(c1)[C@H](NC[C@@H]1C[N@@H+]3CCC[C@H]3CO1)CC2 ZINC000251240461 539792134 /nfs/dbraw/zinc/79/21/34/539792134.db2.gz QCJLKNOLAYJCHV-LZLYRXPVSA-N 1 1 286.419 2.435 50 0 CEAAMO Cc1ccc2c(c1)[C@H](NC[C@@H]1C[N@H+]3CCC[C@H]3CO1)CC2 ZINC000251240461 539792136 /nfs/dbraw/zinc/79/21/36/539792136.db2.gz QCJLKNOLAYJCHV-LZLYRXPVSA-N 1 1 286.419 2.435 50 0 CEAAMO COC[C@@H]1CCC[N@H+]1Cc1cc(=O)c2cc(F)ccc2[nH]1 ZINC000092107074 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CCCCC(=O)N1CCCC[C@H]1CC[NH+]1CCOCC1 ZINC000065288850 275969343 /nfs/dbraw/zinc/96/93/43/275969343.db2.gz MYENTCPSIFNIGS-HNNXBMFYSA-N 1 1 282.428 2.280 50 0 CEAAMO CS[C@H]1CCC[C@H]1[N@@H+](C)CC(=O)Nc1ccncc1 ZINC000096443591 278162234 /nfs/dbraw/zinc/16/22/34/278162234.db2.gz HEHCQUUSZAPQLH-OLZOCXBDSA-N 1 1 279.409 2.236 50 0 CEAAMO Fc1cnc(N[C@H]2CCC[N@@H+](Cc3cccnc3)C2)nc1 ZINC000534585525 328315347 /nfs/dbraw/zinc/31/53/47/328315347.db2.gz JCISVZFLZBCZSW-AWEZNQCLSA-N 1 1 287.342 2.087 50 0 CEAAMO CSCC[C@H](C)[NH2+]CC1(N2CCN(C)CC2)CCCC1 ZINC000534592176 328318547 /nfs/dbraw/zinc/31/85/47/328318547.db2.gz INXUYDADPHTXPF-HNNXBMFYSA-N 1 1 299.528 2.278 50 0 CEAAMO O=C(N[C@@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccoc1 ZINC000534656759 328340436 /nfs/dbraw/zinc/34/04/36/328340436.db2.gz FEMZWXCWSJNQOM-OAHLLOKOSA-N 1 1 285.347 2.069 50 0 CEAAMO O=C(N[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccoc1 ZINC000534656759 328340437 /nfs/dbraw/zinc/34/04/37/328340437.db2.gz FEMZWXCWSJNQOM-OAHLLOKOSA-N 1 1 285.347 2.069 50 0 CEAAMO COc1ccc(C[N@@H+](C[C@@H](O)COC(C)C)C2CC2)cc1 ZINC000036102273 327335603 /nfs/dbraw/zinc/33/56/03/327335603.db2.gz GPQXVZPDJCEWFU-MRXNPFEDSA-N 1 1 293.407 2.446 50 0 CEAAMO Cc1[nH]c2ccccc2c1CCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000362751117 330397835 /nfs/dbraw/zinc/39/78/35/330397835.db2.gz CCNOAHKPOREEHA-WBMJQRKESA-N 1 1 299.418 2.333 50 0 CEAAMO COc1ccc(F)c(C[N@H+]2CCC[C@@H]2CCO)c1 ZINC000097657097 533901876 /nfs/dbraw/zinc/90/18/76/533901876.db2.gz VATFAKTVZZZRIG-GFCCVEGCSA-N 1 1 253.317 2.181 50 0 CEAAMO COc1ccc(F)c(C[N@H+]2CCC[C@H]2CCO)c1 ZINC000097657098 533903083 /nfs/dbraw/zinc/90/30/83/533903083.db2.gz VATFAKTVZZZRIG-LBPRGKRZSA-N 1 1 253.317 2.181 50 0 CEAAMO CCCc1nnc(SCC[C@@H]2CCC[N@H+]2C)[nH]1 ZINC000096485298 528680758 /nfs/dbraw/zinc/68/07/58/528680758.db2.gz IAWISWZMZDFXFW-JTQLQIEISA-N 1 1 254.403 2.334 50 0 CEAAMO CCCc1nc(SCC[C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000096485298 528680762 /nfs/dbraw/zinc/68/07/62/528680762.db2.gz IAWISWZMZDFXFW-JTQLQIEISA-N 1 1 254.403 2.334 50 0 CEAAMO CCCc1nc(SCC[C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000096485298 528680765 /nfs/dbraw/zinc/68/07/65/528680765.db2.gz IAWISWZMZDFXFW-JTQLQIEISA-N 1 1 254.403 2.334 50 0 CEAAMO CCCc1n[nH]c(SCC[C@@H]2CCC[N@@H+]2C)n1 ZINC000096485298 528680771 /nfs/dbraw/zinc/68/07/71/528680771.db2.gz IAWISWZMZDFXFW-JTQLQIEISA-N 1 1 254.403 2.334 50 0 CEAAMO CCCc1n[nH]c(SCC[C@@H]2CCC[N@H+]2C)n1 ZINC000096485298 528680774 /nfs/dbraw/zinc/68/07/74/528680774.db2.gz IAWISWZMZDFXFW-JTQLQIEISA-N 1 1 254.403 2.334 50 0 CEAAMO CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCO[C@@H]1C(C)C ZINC000096454460 528992866 /nfs/dbraw/zinc/99/28/66/528992866.db2.gz YSEJAOBIKPCCOX-RRFJBIMHSA-N 1 1 282.428 2.038 50 0 CEAAMO c1cc2c(nc[nH+]c2N2CCC(Nc3cccnc3)CC2)[nH]1 ZINC000169976016 574508336 /nfs/dbraw/zinc/50/83/36/574508336.db2.gz SKMYGHNTQIUHCH-UHFFFAOYSA-N 1 1 294.362 2.434 50 0 CEAAMO CC[N@H+]1CCCC[C@H]1CNCc1nc(C)c(C)n1C ZINC000952988732 615116360 /nfs/dbraw/zinc/11/63/60/615116360.db2.gz UIQSTZJCGYEEQX-AWEZNQCLSA-N 1 1 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/nfs/dbraw/zinc/74/14/73/370741473.db2.gz VJMJSIZGVGOOIP-ZFWWWQNUSA-N 1 1 276.380 2.056 50 0 CEAAMO COC(=O)c1cc(C[N@@H+](C)[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c[nH]1 ZINC000093609925 364202976 /nfs/dbraw/zinc/20/29/76/364202976.db2.gz AINNITVOTFVLEH-BNOWGMLFSA-N 1 1 292.379 2.047 50 0 CEAAMO CCSC[C@@H](C)[N@@H+](C)Cc1cnc2cnccn12 ZINC000093739309 364220760 /nfs/dbraw/zinc/22/07/60/364220760.db2.gz KJZFTZVOQUUNJO-LLVKDONJSA-N 1 1 264.398 2.303 50 0 CEAAMO C[C@@H](NC(=O)C[N@@H+](C[C@@H]1CCCO1)C1CCCC1)C1CC1 ZINC000095404894 364361575 /nfs/dbraw/zinc/36/15/75/364361575.db2.gz COGVRDJHAWNHEU-CJNGLKHVSA-N 1 1 294.439 2.325 50 0 CEAAMO COC(=O)c1sccc1C[N@@H+]1[C@H](C)CCC[C@H]1CO ZINC000095999308 364397899 /nfs/dbraw/zinc/39/78/99/364397899.db2.gz XSKRPJSVBVGVJR-PWSUYJOCSA-N 1 1 283.393 2.270 50 0 CEAAMO COC(=O)c1sccc1C[N@H+]1[C@H](C)CCC[C@H]1CO ZINC000095999308 364397907 /nfs/dbraw/zinc/39/79/07/364397907.db2.gz XSKRPJSVBVGVJR-PWSUYJOCSA-N 1 1 283.393 2.270 50 0 CEAAMO COc1cccc2c1OC[C@H](Cc1ccc(N)[nH+]c1)C2 ZINC000095356209 364345176 /nfs/dbraw/zinc/34/51/76/364345176.db2.gz SMSXUEBPUPGEIW-GFCCVEGCSA-N 1 1 270.332 2.466 50 0 CEAAMO CCc1[nH+]ccn1CCCNc1ncc(CC)cn1 ZINC000095372558 364349780 /nfs/dbraw/zinc/34/97/80/364349780.db2.gz DJFXRPLPXVXBLW-UHFFFAOYSA-N 1 1 259.357 2.300 50 0 CEAAMO CCc1cnc(NCC2([NH+]3CCOCC3)CCCC2)nc1 ZINC000095375003 364350758 /nfs/dbraw/zinc/35/07/58/364350758.db2.gz PGHZRKZRDSSXNJ-UHFFFAOYSA-N 1 1 290.411 2.096 50 0 CEAAMO CC[N@@H+](CC(=O)N1CCCc2cccc(O)c21)C1CC1 ZINC000097048496 364433309 /nfs/dbraw/zinc/43/33/09/364433309.db2.gz YCELXDUJFQJZCR-UHFFFAOYSA-N 1 1 274.364 2.156 50 0 CEAAMO COC(=O)c1ccccc1C[N@@H+]1CCOCC[C@@H]1C ZINC000097086223 364444734 /nfs/dbraw/zinc/44/47/34/364444734.db2.gz KVWDWFLBPMJDHJ-LBPRGKRZSA-N 1 1 263.337 2.084 50 0 CEAAMO COC(=O)c1ccccc1C[N@H+]1CCOCC[C@@H]1C ZINC000097086223 364444740 /nfs/dbraw/zinc/44/47/40/364444740.db2.gz KVWDWFLBPMJDHJ-LBPRGKRZSA-N 1 1 263.337 2.084 50 0 CEAAMO O=C1C[C@@H]([C@H]2CCCC[N@@H+]2CCc2ccccc2F)CN1 ZINC000097095490 364447525 /nfs/dbraw/zinc/44/75/25/364447525.db2.gz JTVFLQYAUQIQGS-GDBMZVCRSA-N 1 1 290.382 2.359 50 0 CEAAMO O=C(CCNc1cc[nH+]cc1Cl)NCc1ccccn1 ZINC000097096925 364447746 /nfs/dbraw/zinc/44/77/46/364447746.db2.gz JDBJCGJPQFRYKN-UHFFFAOYSA-N 1 1 290.754 2.248 50 0 CEAAMO Cc1ccc(C(=O)CC[N@H+]2CCC[C@H](CC(N)=O)C2)cc1 ZINC000097099755 364448741 /nfs/dbraw/zinc/44/87/41/364448741.db2.gz XPVVXIGBXANBSD-CQSZACIVSA-N 1 1 288.391 2.155 50 0 CEAAMO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1Nc1cnn(CC(F)F)c1 ZINC000097038020 364427581 /nfs/dbraw/zinc/42/75/81/364427581.db2.gz GIOIMVOWLUYJSC-SCVCMEIPSA-N 1 1 272.343 2.289 50 0 CEAAMO Cc1cc[nH+]c(N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c1 ZINC000097037017 364427723 /nfs/dbraw/zinc/42/77/23/364427723.db2.gz BAFPOPILFKEMRE-NSHDSACASA-N 1 1 291.376 2.211 50 0 CEAAMO Cc1cc(C[N@@H+]2CCCC3(C2)OCCO3)c(C)o1 ZINC000097139122 364461519 /nfs/dbraw/zinc/46/15/19/364461519.db2.gz XDBYVWVNFDDBEU-UHFFFAOYSA-N 1 1 251.326 2.235 50 0 CEAAMO Cc1cc(C[N@H+]2CCCC3(C2)OCCO3)c(C)o1 ZINC000097139122 364461521 /nfs/dbraw/zinc/46/15/21/364461521.db2.gz XDBYVWVNFDDBEU-UHFFFAOYSA-N 1 1 251.326 2.235 50 0 CEAAMO COC(=O)[C@H]([NH3+])C(C)(C)SCc1ccc(OC)cc1 ZINC000097756914 364518345 /nfs/dbraw/zinc/51/83/45/364518345.db2.gz JUSFSHVUKUYSMK-LBPRGKRZSA-N 1 1 283.393 2.207 50 0 CEAAMO C[C@H]1C[N@@H+](C)CCN1C(=O)/C=C\c1nc2ccccc2o1 ZINC000098055860 364527847 /nfs/dbraw/zinc/52/78/47/364527847.db2.gz FETFFIVRQSAQLI-KRZKBDHCSA-N 1 1 285.347 2.004 50 0 CEAAMO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CCN1CCO[C@H](C)C1 ZINC000241774048 370784674 /nfs/dbraw/zinc/78/46/74/370784674.db2.gz RMOUFRPEMKNKCN-LVQVYYBASA-N 1 1 266.429 2.360 50 0 CEAAMO CC(=O)O[C@@H]1CC[N@H+](Cc2ccco2)[C@@H](C)[C@H]1C ZINC000245255285 370806912 /nfs/dbraw/zinc/80/69/12/370806912.db2.gz HAVUOHMCCLLASZ-UHIISALHSA-N 1 1 251.326 2.442 50 0 CEAAMO C[N@@H+](C[C@@H](O)c1ccccc1)CC1(CO)CCCC1 ZINC000244899449 370802519 /nfs/dbraw/zinc/80/25/19/370802519.db2.gz 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/nfs/dbraw/zinc/73/83/39/367738339.db2.gz TYURYFGAAJJPFF-UHFFFAOYSA-N 1 1 290.411 2.063 50 0 CEAAMO CCc1cc(C(=O)N2CCC[N@H+](C3CCCC3)CC2)n[nH]1 ZINC000172414687 367738343 /nfs/dbraw/zinc/73/83/43/367738343.db2.gz TYURYFGAAJJPFF-UHFFFAOYSA-N 1 1 290.411 2.063 50 0 CEAAMO Clc1c[nH+]ccc1N1CCC(Cn2cncn2)CC1 ZINC000189213592 369476143 /nfs/dbraw/zinc/47/61/43/369476143.db2.gz QUPCERPRSMYPOZ-UHFFFAOYSA-N 1 1 277.759 2.243 50 0 CEAAMO C[C@H]1C[C@H](c2cccnc2)[N@@H+](Cc2cncn2C)C1 ZINC000190963313 369664901 /nfs/dbraw/zinc/66/49/01/369664901.db2.gz FZRSGTUXRIHQRT-SWLSCSKDSA-N 1 1 256.353 2.398 50 0 CEAAMO C[C@H]([NH2+][C@H]1CCO[C@H]1C)c1nc(Cc2ccccc2)no1 ZINC000191601649 369726573 /nfs/dbraw/zinc/72/65/73/369726573.db2.gz QTQOADOKJQDCKE-OBJOEFQTSA-N 1 1 287.363 2.488 50 0 CEAAMO COc1cc(C[N@H+]2CCC[C@H](CC(N)=O)C2)ccc1C ZINC000194031527 369999805 /nfs/dbraw/zinc/99/98/05/369999805.db2.gz LRIOQFJVHXBPST-CYBMUJFWSA-N 1 1 276.380 2.091 50 0 CEAAMO CC[N@@H+](CCn1cccn1)C[C@H]1CCOC(C)(C)C1 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CSc1cccc(F)c1C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000253430759 371522687 /nfs/dbraw/zinc/52/26/87/371522687.db2.gz LMKISOTWDJVTLI-PHIMTYICSA-N 1 1 294.395 2.181 50 0 CEAAMO O=C(Cc1cc(F)ccc1F)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000361339597 371794481 /nfs/dbraw/zinc/79/44/81/371794481.db2.gz QKDIGNVCAWAKSR-KBPBESRZSA-N 1 1 294.345 2.250 50 0 CEAAMO C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)[C@H]1CSC[NH2+]1 ZINC000269074540 372333172 /nfs/dbraw/zinc/33/31/72/372333172.db2.gz WDMRKPDSDBXQPB-NWANDNLSSA-N 1 1 290.432 2.129 50 0 CEAAMO CN(C[C@H]1CCC[N@H+]1C)c1nc(-c2ccccc2)no1 ZINC000643198553 372965810 /nfs/dbraw/zinc/96/58/10/372965810.db2.gz ARZIOJSYVMEQHD-CYBMUJFWSA-N 1 1 272.352 2.267 50 0 CEAAMO CC1(C)C[N@@H+](C[C@@H](O)COCc2ccccc2)CCCO1 ZINC000371740718 373963324 /nfs/dbraw/zinc/96/33/24/373963324.db2.gz VFODFZGWULFCCE-MRXNPFEDSA-N 1 1 293.407 2.065 50 0 CEAAMO Cc1cccc(OC2CN(C[C@@H]3CCC[N@H+](C)C3)C2)c1 ZINC000299769724 379132411 /nfs/dbraw/zinc/13/24/11/379132411.db2.gz PLECFUSELFRBFO-OAHLLOKOSA-N 1 1 274.408 2.400 50 0 CEAAMO CN(C[C@@H]1CC[N@@H+](C)C1(C)C)C(=O)C(=O)c1ccccc1 ZINC000299779840 379138156 /nfs/dbraw/zinc/13/81/56/379138156.db2.gz PVCXVCITKDQQCE-AWEZNQCLSA-N 1 1 288.391 2.058 50 0 CEAAMO CO[C@H]1CC[C@@]2(OC)CC[N@@H+](Cc3cc(C)no3)[C@H]2C1 ZINC000299783443 379138251 /nfs/dbraw/zinc/13/82/51/379138251.db2.gz UQVAAUFDJGNJAB-AEGPPILISA-N 1 1 280.368 2.141 50 0 CEAAMO C[N@@H+](CCNc1ncccn1)Cc1ccc(F)cc1 ZINC000267235579 190314290 /nfs/dbraw/zinc/31/42/90/190314290.db2.gz WPBHURNRVYPUSE-UHFFFAOYSA-N 1 1 260.316 2.160 50 0 CEAAMO O=C1C[C@H]([NH+]2CCCCC2)C(=O)N1c1ccc(Cl)cc1 ZINC000000295180 169599650 /nfs/dbraw/zinc/59/96/50/169599650.db2.gz JWMDGVBQQNGGPF-ZDUSSCGKSA-N 1 1 292.766 2.458 50 0 CEAAMO C[C@H]1C[N@H+](C2CCN(c3ncccc3Cl)CC2)CCO1 ZINC000091453748 135070486 /nfs/dbraw/zinc/07/04/86/135070486.db2.gz GUQSSLKZYHOOQT-LBPRGKRZSA-N 1 1 295.814 2.425 50 0 CEAAMO C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)[C@H]1CSC[NH2+]1 ZINC000237577639 394493049 /nfs/dbraw/zinc/49/30/49/394493049.db2.gz DJXDKHBPVKSEJY-MPKXVKKWSA-N 1 1 294.395 2.193 50 0 CEAAMO C[C@@H]1CCCC[C@H]1C[N@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000242038599 394495283 /nfs/dbraw/zinc/49/52/83/394495283.db2.gz VMKJEFGKTLMKCY-SNPRPXQTSA-N 1 1 265.397 2.493 50 0 CEAAMO C[N@H+]1CCCC[C@H]1CCN1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000328588821 394554268 /nfs/dbraw/zinc/55/42/68/394554268.db2.gz QWRVWWPTRLVFKE-RDJZCZTQSA-N 1 1 296.455 2.131 50 0 CEAAMO COCC[N@@H+]1CCN(C(=O)C2CCCCCC2)C[C@@H]1C ZINC000084715041 394641996 /nfs/dbraw/zinc/64/19/96/394641996.db2.gz ZGKTZUKJIRAGDS-AWEZNQCLSA-N 1 1 282.428 2.136 50 0 CEAAMO COCC[N@H+]1CCN(C(=O)C2CCCCCC2)C[C@@H]1C ZINC000084715041 394641999 /nfs/dbraw/zinc/64/19/99/394641999.db2.gz ZGKTZUKJIRAGDS-AWEZNQCLSA-N 1 1 282.428 2.136 50 0 CEAAMO CC[N@H+]1CCC[C@@H]1CN1C(=O)COc2ccc(F)cc21 ZINC000095354644 394671647 /nfs/dbraw/zinc/67/16/47/394671647.db2.gz OUNLHFGDKHPBBY-GFCCVEGCSA-N 1 1 278.327 2.035 50 0 CEAAMO CC(C)[N@H+]1CC[C@H](Cn2c(=O)cnc3ccccc32)C1 ZINC000095354820 394672517 /nfs/dbraw/zinc/67/25/17/394672517.db2.gz QOLJROFANZVILU-ZDUSSCGKSA-N 1 1 271.364 2.127 50 0 CEAAMO CC(C)n1ccnc1C[N@H+]1CCC[C@@H]1C(C)(C)O ZINC000095975575 394674624 /nfs/dbraw/zinc/67/46/24/394674624.db2.gz XHLZDSFXWIBFLF-GFCCVEGCSA-N 1 1 251.374 2.199 50 0 CEAAMO C[C@@H]1CCC[C@@H](CO)[N@H+]1Cc1ccncc1Cl ZINC000095999304 394676074 /nfs/dbraw/zinc/67/60/74/394676074.db2.gz XVBCDIIVPMUGPY-PWSUYJOCSA-N 1 1 254.761 2.470 50 0 CEAAMO Cc1noc(C)c1C[N@@H+]1CC[C@H](NC(=O)c2ccccc2)C1 ZINC000169792350 395090018 /nfs/dbraw/zinc/09/00/18/395090018.db2.gz JLXXHTAIAUHQFW-HNNXBMFYSA-N 1 1 299.374 2.296 50 0 CEAAMO Cc1noc(C)c1C[N@H+]1CC[C@H](NC(=O)c2ccccc2)C1 ZINC000169792350 395090019 /nfs/dbraw/zinc/09/00/19/395090019.db2.gz JLXXHTAIAUHQFW-HNNXBMFYSA-N 1 1 299.374 2.296 50 0 CEAAMO CCC(CC)(C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(=O)[O-] ZINC000263017568 154004361 /nfs/dbraw/zinc/00/43/61/154004361.db2.gz DIEWWRNTACJPPU-CHWSQXEVSA-N 1 1 268.401 2.094 50 0 CEAAMO COc1ccc(NC(=O)[C@H]2CCCC[N@@H+]2C)cc1OC ZINC000004713080 170003769 /nfs/dbraw/zinc/00/37/69/170003769.db2.gz MENQDJNPWPAFPO-GFCCVEGCSA-N 1 1 278.352 2.127 50 0 CEAAMO COc1ccc(NC(=O)[C@H]2CCCC[N@H+]2C)cc1OC ZINC000004713080 170003770 /nfs/dbraw/zinc/00/37/70/170003770.db2.gz MENQDJNPWPAFPO-GFCCVEGCSA-N 1 1 278.352 2.127 50 0 CEAAMO CC[N@H+]1CCC[C@H]1CNC(=O)Cc1cn(C)c2ccccc12 ZINC000004901726 170038633 /nfs/dbraw/zinc/03/86/33/170038633.db2.gz DUADNWIRLNBHNG-HNNXBMFYSA-N 1 1 299.418 2.321 50 0 CEAAMO COc1ccc2c(c1)oc(=O)n2C[N@@H+]1CCC[C@H](C)C1 ZINC000005723347 170133069 /nfs/dbraw/zinc/13/30/69/170133069.db2.gz FEKVQJSZVQIAHF-NSHDSACASA-N 1 1 276.336 2.293 50 0 CEAAMO COc1ccc2c(c1)oc(=O)n2C[N@H+]1CCC[C@H](C)C1 ZINC000005723347 170133070 /nfs/dbraw/zinc/13/30/70/170133070.db2.gz FEKVQJSZVQIAHF-NSHDSACASA-N 1 1 276.336 2.293 50 0 CEAAMO Cc1c(C)n(Cc2ccco2)c2nc[nH+]c(NCCO)c12 ZINC000006661305 170223527 /nfs/dbraw/zinc/22/35/27/170223527.db2.gz XFOJQPSJDAXSMD-UHFFFAOYSA-N 1 1 286.335 2.094 50 0 CEAAMO COC(=O)c1ccc(C)c(NC(=O)C[NH+]2CCCCC2)c1 ZINC000007752230 170300432 /nfs/dbraw/zinc/30/04/32/170300432.db2.gz VNGNSTCVUCOAII-UHFFFAOYSA-N 1 1 290.363 2.206 50 0 CEAAMO Clc1cccc(OCCC[NH+]2CCOCC2)c1 ZINC000019607620 170830463 /nfs/dbraw/zinc/83/04/63/170830463.db2.gz SXYBXDASXAXOQD-UHFFFAOYSA-N 1 1 255.745 2.441 50 0 CEAAMO Fc1ccc(-c2n[nH]cc2CC[NH+]2CCOCC2)cc1 ZINC000020218637 171081967 /nfs/dbraw/zinc/08/19/67/171081967.db2.gz AJRYPBJFAMIIPG-UHFFFAOYSA-N 1 1 275.327 2.091 50 0 CEAAMO C[NH+]1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000020220121 171082395 /nfs/dbraw/zinc/08/23/95/171082395.db2.gz PPPRZTRFDPTPSO-UHFFFAOYSA-N 1 1 272.270 2.093 50 0 CEAAMO Cc1ccc(C[NH+]2CCN(C(=O)C3CCC3)CC2)cc1 ZINC000020367144 171165880 /nfs/dbraw/zinc/16/58/80/171165880.db2.gz RZFYNMIQFCNTJV-UHFFFAOYSA-N 1 1 272.392 2.439 50 0 CEAAMO C(Cc1n[nH]c2c1CCCC2)CN1CC[N@H+]2CCC[C@@H]2C1 ZINC000020568651 171255641 /nfs/dbraw/zinc/25/56/41/171255641.db2.gz HBFBWUUCPGEVAL-CQSZACIVSA-N 1 1 288.439 2.001 50 0 CEAAMO C(Cc1[nH]nc2c1CCCC2)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000020568651 171255642 /nfs/dbraw/zinc/25/56/42/171255642.db2.gz HBFBWUUCPGEVAL-CQSZACIVSA-N 1 1 288.439 2.001 50 0 CEAAMO C(Cc1[nH]nc2c1CCCC2)CN1CC[N@H+]2CCC[C@@H]2C1 ZINC000020568651 171255643 /nfs/dbraw/zinc/25/56/43/171255643.db2.gz HBFBWUUCPGEVAL-CQSZACIVSA-N 1 1 288.439 2.001 50 0 CEAAMO CC[NH+]1CCN(C(=O)[C@H](C)Oc2ccccc2Cl)CC1 ZINC000020608767 171267339 /nfs/dbraw/zinc/26/73/39/171267339.db2.gz FFFIEWGIEPJSAJ-LBPRGKRZSA-N 1 1 296.798 2.271 50 0 CEAAMO NC(=O)[C@H]1Cc2ccccc2C[N@H+]1CCc1ccccc1 ZINC000035268072 172091946 /nfs/dbraw/zinc/09/19/46/172091946.db2.gz KKESDDCPCVWAPN-QGZVFWFLSA-N 1 1 280.371 2.141 50 0 CEAAMO COc1ccnc(C[N@H+]2CCSCC[C@@H]2C)c1OC ZINC000285703913 196372463 /nfs/dbraw/zinc/37/24/63/196372463.db2.gz CWSQBNJYFANVSC-NSHDSACASA-N 1 1 282.409 2.426 50 0 CEAAMO C[C@@H]1C[C@H](C)C[N@H+](CCNC(=O)NCc2ccccc2)C1 ZINC000040119848 174193070 /nfs/dbraw/zinc/19/30/70/174193070.db2.gz CDTMAWVZYVJMJE-GASCZTMLSA-N 1 1 289.423 2.464 50 0 CEAAMO Cc1ccc(C(=O)NC[C@H](c2ccco2)[NH+](C)C)o1 ZINC000040459544 174269554 /nfs/dbraw/zinc/26/95/54/174269554.db2.gz AMBPEYKIQDLHFE-LLVKDONJSA-N 1 1 262.309 2.214 50 0 CEAAMO COCC[N@H+]1CCC[C@@H]1c1ccc(OC)c(OC)c1 ZINC000045004547 175287605 /nfs/dbraw/zinc/28/76/05/175287605.db2.gz WXCKNAKDVRBSMN-CYBMUJFWSA-N 1 1 265.353 2.487 50 0 CEAAMO O=C(CC[N@@H+](Cc1ccccc1)C1CC1)NC1CC1 ZINC000045748559 175383014 /nfs/dbraw/zinc/38/30/14/175383014.db2.gz IEVQEPDKLHANKY-UHFFFAOYSA-N 1 1 258.365 2.320 50 0 CEAAMO CCOc1ccccc1NC(=O)NCCn1cc[nH+]c1C ZINC000049029923 175459692 /nfs/dbraw/zinc/45/96/92/175459692.db2.gz VXYCYOLWCKLTAS-UHFFFAOYSA-N 1 1 288.351 2.412 50 0 CEAAMO CC1=C(CC[N@@H+]2CCNC(=O)[C@@H]2CCO)C(C)(C)CCC1 ZINC000065467526 175740627 /nfs/dbraw/zinc/74/06/27/175740627.db2.gz WMGJNLXJOTVNEV-HNNXBMFYSA-N 1 1 294.439 2.086 50 0 CEAAMO CC1=C(CC[N@H+]2CCNC(=O)[C@@H]2CCO)C(C)(C)CCC1 ZINC000065467526 175740629 /nfs/dbraw/zinc/74/06/29/175740629.db2.gz WMGJNLXJOTVNEV-HNNXBMFYSA-N 1 1 294.439 2.086 50 0 CEAAMO CC(C)[C@@H]1CN(c2cc(N)ncn2)CCC[N@H+]1CC1CC1 ZINC000071422156 176161024 /nfs/dbraw/zinc/16/10/24/176161024.db2.gz CSWPOLUNAIMNTM-AWEZNQCLSA-N 1 1 289.427 2.006 50 0 CEAAMO COc1cccc(CN[C@H]2CC[N@H+](C(C)C)C2)c1OC ZINC000078553042 177353567 /nfs/dbraw/zinc/35/35/67/177353567.db2.gz CXWGTABSJWDIBS-AWEZNQCLSA-N 1 1 278.396 2.276 50 0 CEAAMO COc1cccc(C[NH2+][C@H]2CCN(C(C)C)C2)c1OC ZINC000078553042 177353569 /nfs/dbraw/zinc/35/35/69/177353569.db2.gz CXWGTABSJWDIBS-AWEZNQCLSA-N 1 1 278.396 2.276 50 0 CEAAMO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](CCc2ccncc2)C1 ZINC000078611077 177360023 /nfs/dbraw/zinc/36/00/23/177360023.db2.gz MDPXJZJBIQDVIE-CQSZACIVSA-N 1 1 291.395 2.223 50 0 CEAAMO Cc1nc(C[NH+]2CCC(CNC(=O)C3CC3)CC2)oc1C ZINC000078639315 177363332 /nfs/dbraw/zinc/36/33/32/177363332.db2.gz LORUTIBVZKJDTE-UHFFFAOYSA-N 1 1 291.395 2.030 50 0 CEAAMO O=C(CC[N@@H+](Cc1cccs1)C1CC1)NC1CC1 ZINC000032804050 260146206 /nfs/dbraw/zinc/14/62/06/260146206.db2.gz HJDWAIVDYOPSPL-UHFFFAOYSA-N 1 1 264.394 2.381 50 0 CEAAMO COc1ccc(CN2CC[N@H+]3CCC[C@@H]3[C@H]2C)cc1O ZINC000039308814 260172452 /nfs/dbraw/zinc/17/24/52/260172452.db2.gz XPFLIMSNUYBZND-TZMCWYRMSA-N 1 1 276.380 2.069 50 0 CEAAMO c1ccc(C[N@H+]2CC[C@H](NCc3ccccn3)C2)cc1 ZINC000020306333 262245092 /nfs/dbraw/zinc/24/50/92/262245092.db2.gz YCGLLHYAEPGFHW-KRWDZBQOSA-N 1 1 267.376 2.446 50 0 CEAAMO CCC[C@H]1c2ccccc2CC[N@H+]1CCS(C)(=O)=O ZINC000095397248 276051104 /nfs/dbraw/zinc/05/11/04/276051104.db2.gz ICYSDHKXFGLBJE-HNNXBMFYSA-N 1 1 281.421 2.431 50 0 CEAAMO CCC[C@H]1c2ccccc2CC[N@@H+]1CCS(C)(=O)=O ZINC000095397248 276051105 /nfs/dbraw/zinc/05/11/05/276051105.db2.gz ICYSDHKXFGLBJE-HNNXBMFYSA-N 1 1 281.421 2.431 50 0 CEAAMO CC1=CCC[C@H](C)[C@@H]1C[N@H+](C)[C@@H](C)CS(C)(=O)=O ZINC000191070846 276179032 /nfs/dbraw/zinc/17/90/32/276179032.db2.gz NPIUSJCKCVLBNT-MELADBBJSA-N 1 1 273.442 2.344 50 0 CEAAMO CCN1CC[NH2+][C@@H](c2ccccc2Br)C1 ZINC000056894816 276204046 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/nfs/dbraw/zinc/83/72/88/362837288.db2.gz WKTXVJSZELQJNA-JSGCOSHPSA-N 1 1 292.427 2.062 50 0 CEAAMO Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@@H]3CCOC3)C2)n1 ZINC000065568249 362837909 /nfs/dbraw/zinc/83/79/09/362837909.db2.gz KMNKQVSTRNCJBT-GJZGRUSLSA-N 1 1 275.396 2.160 50 0 CEAAMO CNC(=O)NC(=O)CCC[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000065564856 362838000 /nfs/dbraw/zinc/83/80/00/362838000.db2.gz NJWXYGZOSFKKOK-CQSZACIVSA-N 1 1 289.379 2.059 50 0 CEAAMO CC(C)NC(=O)C[N@H+](C)Cc1cc(F)cc2cccnc21 ZINC000065590896 362839859 /nfs/dbraw/zinc/83/98/59/362839859.db2.gz XNDXUXYREZBCBA-UHFFFAOYSA-N 1 1 289.354 2.330 50 0 CEAAMO CC(C)NC(=O)C[N@@H+](C)Cc1cc(F)cc2cccnc21 ZINC000065590896 362839863 /nfs/dbraw/zinc/83/98/63/362839863.db2.gz XNDXUXYREZBCBA-UHFFFAOYSA-N 1 1 289.354 2.330 50 0 CEAAMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc(OC)cc1OC ZINC000066137460 362852430 /nfs/dbraw/zinc/85/24/30/362852430.db2.gz GZJZMZQGBFLWCR-GFCCVEGCSA-N 1 1 294.395 2.164 50 0 CEAAMO Cc1ccc2nc(CN(C)C3CC[NH2+]CC3)[nH]c2c1 ZINC000067833911 362926707 /nfs/dbraw/zinc/92/67/07/362926707.db2.gz CCAJSXQEIBKTTP-UHFFFAOYSA-N 1 1 258.369 2.055 50 0 CEAAMO CC(=O)NC[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000067742692 362923406 /nfs/dbraw/zinc/92/34/06/362923406.db2.gz GLHYMOWYDNLLOI-CQSZACIVSA-N 1 1 299.374 2.300 50 0 CEAAMO O=C1CCc2ccc(O[C@@]34CC[N@@H+](C3)CCC4)cc21 ZINC000067847435 362928126 /nfs/dbraw/zinc/92/81/26/362928126.db2.gz QLPPYWZDBCARSB-INIZCTEOSA-N 1 1 257.333 2.433 50 0 CEAAMO C[C@@H]1C[N@H+](C[C@@H](O)c2ccc(Cl)cc2)[C@H](C)CO1 ZINC000249055558 539655594 /nfs/dbraw/zinc/65/55/94/539655594.db2.gz LXBWCTBAAVJKMG-JTNHKYCSSA-N 1 1 269.772 2.483 50 0 CEAAMO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(Cl)cc2)[C@H](C)CO1 ZINC000249055558 539655598 /nfs/dbraw/zinc/65/55/98/539655598.db2.gz LXBWCTBAAVJKMG-JTNHKYCSSA-N 1 1 269.772 2.483 50 0 CEAAMO CSCCC[N@H+]1C[C@H]2CC[C@@H]1CN(c1cnccn1)C2 ZINC000091255393 180114786 /nfs/dbraw/zinc/11/47/86/180114786.db2.gz MOHWSHIIJHGQEW-ZIAGYGMSSA-N 1 1 292.452 2.130 50 0 CEAAMO COCCC[N@H+]1CC[C@H](CNc2nc(C)nc(C)c2C)C1 ZINC000091643853 180214348 /nfs/dbraw/zinc/21/43/48/180214348.db2.gz ULXFYUIDHRQMIP-OAHLLOKOSA-N 1 1 292.427 2.172 50 0 CEAAMO O=C([C@@H]1CCC[N@@H+](Cc2ccco2)C1)N1CCSCC1 ZINC000091707530 180231023 /nfs/dbraw/zinc/23/10/23/180231023.db2.gz MTCFMMAITSIQTN-CYBMUJFWSA-N 1 1 294.420 2.067 50 0 CEAAMO CC/C(C)=C/CC[N@H+]1CC[C@@]2(C1)CCCNC2=O ZINC000091934577 180289288 /nfs/dbraw/zinc/28/92/88/180289288.db2.gz QLYMJKGHYRRMDO-MRHLJLSQSA-N 1 1 250.386 2.335 50 0 CEAAMO C[C@H](CNC(=O)C1CCCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000106078712 186101038 /nfs/dbraw/zinc/10/10/38/186101038.db2.gz RVEILMRBPBRJEA-CHWSQXEVSA-N 1 1 252.402 2.413 50 0 CEAAMO CC[C@H]1CN([C@H](C)c2cccnc2)CC[N@H+]1CCOC ZINC000106777235 186135069 /nfs/dbraw/zinc/13/50/69/186135069.db2.gz DFMGGKGCQGGSET-ZBFHGGJFSA-N 1 1 277.412 2.185 50 0 CEAAMO CNC(=O)C[N@@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000069420179 362967181 /nfs/dbraw/zinc/96/71/81/362967181.db2.gz NEPGGGIPDYZSAC-LBPRGKRZSA-N 1 1 252.745 2.223 50 0 CEAAMO CNC(=O)C[N@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000069420179 362967188 /nfs/dbraw/zinc/96/71/88/362967188.db2.gz NEPGGGIPDYZSAC-LBPRGKRZSA-N 1 1 252.745 2.223 50 0 CEAAMO Fc1cccc(OCC[N@H+]2CCC[C@H](C3OCCO3)C2)c1 ZINC000069416103 362965942 /nfs/dbraw/zinc/96/59/42/362965942.db2.gz HXEMLYZVBXOHQW-ZDUSSCGKSA-N 1 1 295.354 2.289 50 0 CEAAMO CS[C@@H]1CC[C@@H]([N@@H+](C)CC(=O)Nc2cc(C)on2)C1 ZINC000110641765 186308923 /nfs/dbraw/zinc/30/89/23/186308923.db2.gz BZYNUJYORWBVNB-GHMZBOCLSA-N 1 1 283.397 2.137 50 0 CEAAMO CC(C)c1nc(C[NH2+]C[C@@H]2CN(C3CC3)CCO2)cs1 ZINC000069589368 362982718 /nfs/dbraw/zinc/98/27/18/362982718.db2.gz JLUAHFZZPHTBKV-CQSZACIVSA-N 1 1 295.452 2.219 50 0 CEAAMO CC(C)c1nc(CNC[C@@H]2C[N@@H+](C3CC3)CCO2)cs1 ZINC000069589368 362982720 /nfs/dbraw/zinc/98/27/20/362982720.db2.gz JLUAHFZZPHTBKV-CQSZACIVSA-N 1 1 295.452 2.219 50 0 CEAAMO CC(C)c1nc(CNC[C@@H]2C[N@H+](C3CC3)CCO2)cs1 ZINC000069589368 362982723 /nfs/dbraw/zinc/98/27/23/362982723.db2.gz JLUAHFZZPHTBKV-CQSZACIVSA-N 1 1 295.452 2.219 50 0 CEAAMO c1cnn(-c2ccc(C[NH+]3CC(n4cccn4)C3)cc2)c1 ZINC000069571206 362981622 /nfs/dbraw/zinc/98/16/22/362981622.db2.gz NPZIWUNPMOZCLH-UHFFFAOYSA-N 1 1 279.347 2.126 50 0 CEAAMO CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)CCSC ZINC000069668124 362990342 /nfs/dbraw/zinc/99/03/42/362990342.db2.gz JYXDLXSOQZRKEM-OLZOCXBDSA-N 1 1 270.442 2.215 50 0 CEAAMO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](CCc3ccncc3)C2)n1 ZINC000069702112 362993616 /nfs/dbraw/zinc/99/36/16/362993616.db2.gz LFOHXZWKYIKREO-QGZVFWFLSA-N 1 1 299.422 2.245 50 0 CEAAMO Cc1nc(C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@@H+]2C)cs1 ZINC000069807771 363003312 /nfs/dbraw/zinc/00/33/12/363003312.db2.gz NTDNJJLNTPXLHF-QWHCGFSZSA-N 1 1 279.409 2.150 50 0 CEAAMO CCOCC[N@H+]1CCN(Cc2cscn2)C[C@@H]1CC ZINC000069973139 363016569 /nfs/dbraw/zinc/01/65/69/363016569.db2.gz FODAISUEJJFIOF-AWEZNQCLSA-N 1 1 283.441 2.076 50 0 CEAAMO O=C(C[N@H+](CCCO)C1CC1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000070040144 363023189 /nfs/dbraw/zinc/02/31/89/363023189.db2.gz AOHYDGPAEORITO-HOCLYGCPSA-N 1 1 294.439 2.014 50 0 CEAAMO C[C@@H](O)[C@H]1CCCC[N@H+]1Cc1ccc2c(c1)OCCO2 ZINC000070040151 363023800 /nfs/dbraw/zinc/02/38/00/363023800.db2.gz XLAZYDKDSZKNLV-TZMCWYRMSA-N 1 1 277.364 2.193 50 0 CEAAMO CCn1ncnc1[C@H](C)Nc1nc(C)[nH+]c(C)c1C ZINC000091951964 539816161 /nfs/dbraw/zinc/81/61/61/539816161.db2.gz GLJSUGIUJATVSV-JTQLQIEISA-N 1 1 260.345 2.186 50 0 CEAAMO Cc1[nH]ncc1C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000071825261 363114603 /nfs/dbraw/zinc/11/46/03/363114603.db2.gz PFQPNVZTMLHMKM-UHFFFAOYSA-N 1 1 270.380 2.477 50 0 CEAAMO CC(C)[N@@H+]1CC[C@H](NCc2c[nH]nc2-c2cccnc2)C1 ZINC000071857573 363116920 /nfs/dbraw/zinc/11/69/20/363116920.db2.gz VICZRPYWWGZGMO-HNNXBMFYSA-N 1 1 285.395 2.044 50 0 CEAAMO CC(C)[N@H+]1CC[C@H](NCc2c[nH]nc2-c2cccnc2)C1 ZINC000071857573 363116924 /nfs/dbraw/zinc/11/69/24/363116924.db2.gz VICZRPYWWGZGMO-HNNXBMFYSA-N 1 1 285.395 2.044 50 0 CEAAMO Cc1[nH+]ccn1CCCC(=O)N1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1 ZINC000071762238 363112657 /nfs/dbraw/zinc/11/26/57/363112657.db2.gz MCIVQHVROCUNKH-GEEKYZPCSA-N 1 1 287.407 2.476 50 0 CEAAMO COc1c([C@H]2CCC[N@H+]2C[C@@H]2CCCCO2)c(C)nn1C ZINC000072253660 363122599 /nfs/dbraw/zinc/12/25/99/363122599.db2.gz KXMKNEOZPANGHH-UONOGXRCSA-N 1 1 293.411 2.443 50 0 CEAAMO c1cnn(C[C@H]2CCCC[N@@H+]2CCc2ccncc2)c1 ZINC000072267528 363124388 /nfs/dbraw/zinc/12/43/88/363124388.db2.gz HZKAHQNYVYRPGP-MRXNPFEDSA-N 1 1 270.380 2.375 50 0 CEAAMO COC[C@@H](C)[NH+]1CCN(C(=O)CC2=CCCCC2)CC1 ZINC000072290607 363126775 /nfs/dbraw/zinc/12/67/75/363126775.db2.gz HXHSPISJGGTZSM-CQSZACIVSA-N 1 1 280.412 2.056 50 0 CEAAMO CN1C[C@@]2(CC[N@H+](Cc3ccc(O)cc3Cl)C2)OC1=O ZINC000072427160 363134510 /nfs/dbraw/zinc/13/45/10/363134510.db2.gz URBFMVAKMDGETO-CQSZACIVSA-N 1 1 296.754 2.072 50 0 CEAAMO CN1C[C@@]2(CC[N@@H+](Cc3ccc(O)cc3Cl)C2)OC1=O ZINC000072427160 363134513 /nfs/dbraw/zinc/13/45/13/363134513.db2.gz URBFMVAKMDGETO-CQSZACIVSA-N 1 1 296.754 2.072 50 0 CEAAMO Cc1cccc(NCc2nnc3n2CCCCC3)[nH+]1 ZINC000156952145 188290038 /nfs/dbraw/zinc/29/00/38/188290038.db2.gz JTHUPIHFDNOIRY-UHFFFAOYSA-N 1 1 257.341 2.320 50 0 CEAAMO C[C@H](CO)[N@H+](C)Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000132213703 366126631 /nfs/dbraw/zinc/12/66/31/366126631.db2.gz OJIUMAYXTMURLD-CYBMUJFWSA-N 1 1 285.391 2.174 50 0 CEAAMO C[C@H](CO)[N@@H+](C)Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000132213703 366126633 /nfs/dbraw/zinc/12/66/33/366126633.db2.gz OJIUMAYXTMURLD-CYBMUJFWSA-N 1 1 285.391 2.174 50 0 CEAAMO NC(=O)C[N@H+]1CCC[C@@H]1[C@@H]1CCCc2ccccc21 ZINC000095407318 540163217 /nfs/dbraw/zinc/16/32/17/540163217.db2.gz DMSMCXGFKJDXCB-HUUCEWRRSA-N 1 1 258.365 2.056 50 0 CEAAMO CC(C)=CC[N@@H+](CC(=O)N1CCCC1)C[C@@H]1CCCO1 ZINC000076049475 363512731 /nfs/dbraw/zinc/51/27/31/363512731.db2.gz XHXSOTKALHARAH-HNNXBMFYSA-N 1 1 280.412 2.056 50 0 CEAAMO CC(C)=CC[N@H+](CC(=O)N1CCCC1)C[C@@H]1CCCO1 ZINC000076049475 363512733 /nfs/dbraw/zinc/51/27/33/363512733.db2.gz XHXSOTKALHARAH-HNNXBMFYSA-N 1 1 280.412 2.056 50 0 CEAAMO CSC[C@@H](C)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000076066882 363515390 /nfs/dbraw/zinc/51/53/90/363515390.db2.gz RCNQNCJLXHNLPS-OCCSQVGLSA-N 1 1 284.469 2.366 50 0 CEAAMO Cc1nc(CN(C)[C@H]2CC[N@@H+](CC3CCCC3)C2)no1 ZINC000078891049 363555181 /nfs/dbraw/zinc/55/51/81/363555181.db2.gz SFXJJHCMVVITCZ-AWEZNQCLSA-N 1 1 278.400 2.074 50 0 CEAAMO CCc1nc(C[NH2+][C@]2(CO)C[C@H](C)CC(C)(C)C2)no1 ZINC000079015686 363565092 /nfs/dbraw/zinc/56/50/92/363565092.db2.gz BJCXLPDMSWQWAD-IAQYHMDHSA-N 1 1 281.400 2.299 50 0 CEAAMO C[C@@H](NC(=O)CC[N@@H+](C)CC1(C)COC1)c1ccccc1 ZINC000670437436 540409645 /nfs/dbraw/zinc/40/96/45/540409645.db2.gz JFNQVQNSRKZRNH-CQSZACIVSA-N 1 1 290.407 2.222 50 0 CEAAMO CC(C)[N@H+]1CCC[C@H]1C(=O)NCc1ccc2[nH]cnc2c1 ZINC000670446565 540413447 /nfs/dbraw/zinc/41/34/47/540413447.db2.gz WZZDRPPFMHECES-HNNXBMFYSA-N 1 1 286.379 2.052 50 0 CEAAMO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCc1ccc2nc[nH]c2c1 ZINC000670446565 540413449 /nfs/dbraw/zinc/41/34/49/540413449.db2.gz 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C[C@H](C(=O)N(C)C)[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000069744797 279182629 /nfs/dbraw/zinc/18/26/29/279182629.db2.gz IIPLUOFWVFEZTP-YPMHNXCESA-N 1 1 264.344 2.092 50 0 CEAAMO CCn1nc(CN[C@H](C)C[N@@H+](C)CC)c2ccccc21 ZINC000534644057 328329778 /nfs/dbraw/zinc/32/97/78/328329778.db2.gz JLSKYPODEWJPMK-CYBMUJFWSA-N 1 1 274.412 2.486 50 0 CEAAMO CCN(C)C[C@@H](C)[NH2+]Cc1nn(CC)c2ccccc12 ZINC000534644057 328329780 /nfs/dbraw/zinc/32/97/80/328329780.db2.gz JLSKYPODEWJPMK-CYBMUJFWSA-N 1 1 274.412 2.486 50 0 CEAAMO O=C(c1ccc(Cl)cc1)N1CC[NH+](C2CC2)CC1 ZINC000058208522 327010307 /nfs/dbraw/zinc/01/03/07/327010307.db2.gz YEVAMFOEJLXKHW-UHFFFAOYSA-N 1 1 264.756 2.260 50 0 CEAAMO CC[C@@H](C[NH+]1CCS(=O)CC1)c1ccccc1 ZINC000390834679 328973601 /nfs/dbraw/zinc/97/36/01/328973601.db2.gz NPFIUFQKKUITJX-ZDUSSCGKSA-N 1 1 251.395 2.245 50 0 CEAAMO Cc1[nH]c(C)c(-c2ccc(S(C)(=O)=O)cc2)[nH+]1 ZINC000197452847 538791362 /nfs/dbraw/zinc/79/13/62/538791362.db2.gz WZNHREKUNCMMHG-UHFFFAOYSA-N 1 1 250.323 2.097 50 0 CEAAMO CCSCC[N@H+]1CCC[C@@H](CNC(=O)C2CCC2)C1 ZINC000952982105 615360841 /nfs/dbraw/zinc/36/08/41/615360841.db2.gz WMGLEWHKCQOXRS-ZDUSSCGKSA-N 1 1 284.469 2.368 50 0 CEAAMO C[N@H+]1CCCCC[C@H]1C(=O)N(C1CC1)C1CCOCC1 ZINC000952966449 616178070 /nfs/dbraw/zinc/17/80/70/616178070.db2.gz WDXVEAQUHWMBOE-HNNXBMFYSA-N 1 1 280.412 2.031 50 0 CEAAMO C=CC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000323445822 628482422 /nfs/dbraw/zinc/48/24/22/628482422.db2.gz AJRPSXNTCNVMHV-CQSZACIVSA-N 1 1 258.365 2.153 50 0 CEAAMO C[C@@H]1CCCC[N@@H+]1CN1C(=O)NC2(CCCCCC2)C1=O ZINC000012787748 642576399 /nfs/dbraw/zinc/57/63/99/642576399.db2.gz GKAPXLUFDFOYSO-CYBMUJFWSA-N 1 1 293.411 2.463 50 0 CEAAMO C[C@@H]1CCCC[N@H+]1CN1C(=O)NC2(CCCCCC2)C1=O ZINC000012787748 642576404 /nfs/dbraw/zinc/57/64/04/642576404.db2.gz GKAPXLUFDFOYSO-CYBMUJFWSA-N 1 1 293.411 2.463 50 0 CEAAMO Cc1cc(N2CC[N@@H+](C3CCCC3)[C@H](C)C2)ncn1 ZINC000952994970 642624346 /nfs/dbraw/zinc/62/43/46/642624346.db2.gz YJYFVFHNDVRXDE-CYBMUJFWSA-N 1 1 260.385 2.238 50 0 CEAAMO C=CC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000791391434 648515917 /nfs/dbraw/zinc/51/59/17/648515917.db2.gz LFHLSPWQDZYYQJ-TZMCWYRMSA-N 1 1 266.291 2.012 50 0 CEAAMO C=CC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000791391434 648515920 /nfs/dbraw/zinc/51/59/20/648515920.db2.gz LFHLSPWQDZYYQJ-TZMCWYRMSA-N 1 1 266.291 2.012 50 0 CEAAMO Cc1nnc([C@@H]2CC[N@H+](CC3CC3)CCN2CC(C)C)[nH]1 ZINC000675014073 803774107 /nfs/dbraw/zinc/77/41/07/803774107.db2.gz SELPNATUXOKRSL-HNNXBMFYSA-N 1 1 291.443 2.228 50 0 CEAAMO Cc1nc([C@@H]2CC[N@@H+](CC3CC3)CCN2CC(C)C)n[nH]1 ZINC000675014073 803774113 /nfs/dbraw/zinc/77/41/13/803774113.db2.gz SELPNATUXOKRSL-HNNXBMFYSA-N 1 1 291.443 2.228 50 0 CEAAMO Cc1nc([C@@H]2CC[N@H+](CC3CC3)CCN2CC(C)C)n[nH]1 ZINC000675014073 803774121 /nfs/dbraw/zinc/77/41/21/803774121.db2.gz SELPNATUXOKRSL-HNNXBMFYSA-N 1 1 291.443 2.228 50 0 CEAAMO CSc1ncc(C[NH2+]Cc2cnccc2Cl)n1C ZINC000952869783 815071924 /nfs/dbraw/zinc/07/19/24/815071924.db2.gz ONASCQXNLVGGDD-UHFFFAOYSA-N 1 1 282.800 2.480 50 0 CEAAMO CC(=O)NC(C)(C)c1noc([C@@H]2CCC[C@@H]3CCC[N@H+]32)n1 ZINC000952883846 815077536 /nfs/dbraw/zinc/07/75/36/815077536.db2.gz YHFOPQGGNIDNPY-NEPJUHHUSA-N 1 1 292.383 2.130 50 0 CEAAMO CC(=O)NC(C)(C)c1noc([C@@H]2CCC[C@H]3CCC[N@H+]32)n1 ZINC000952883848 815078034 /nfs/dbraw/zinc/07/80/34/815078034.db2.gz YHFOPQGGNIDNPY-RYUDHWBXSA-N 1 1 292.383 2.130 50 0 CEAAMO Cc1cc(CNCCC[N@H+]2CCCC[C@@H]2CO)oc1C ZINC000952962825 815081198 /nfs/dbraw/zinc/08/11/98/815081198.db2.gz ILSPBZBBOFQXHX-OAHLLOKOSA-N 1 1 280.412 2.223 50 0 CEAAMO CCCCCN1CC[N@@H+](CC(C)C)[C@H](CCO)C1 ZINC000200482460 808717710 /nfs/dbraw/zinc/71/77/10/808717710.db2.gz NGOXMHFQOSDHGQ-OAHLLOKOSA-N 1 1 256.434 2.201 50 0 CEAAMO CCCCC[N@@H+]1CCN(CC(C)C)[C@H](CCO)C1 ZINC000200482460 808717712 /nfs/dbraw/zinc/71/77/12/808717712.db2.gz NGOXMHFQOSDHGQ-OAHLLOKOSA-N 1 1 256.434 2.201 50 0 CEAAMO CCCCC[N@H+]1CCN(CC(C)C)[C@H](CCO)C1 ZINC000200482460 808717716 /nfs/dbraw/zinc/71/77/16/808717716.db2.gz NGOXMHFQOSDHGQ-OAHLLOKOSA-N 1 1 256.434 2.201 50 0 CEAAMO C=Cc1cccc(C[N@H+](C)C[C@@H]2CC(=O)N(C)C2)c1 ZINC000820516344 810553768 /nfs/dbraw/zinc/55/37/68/810553768.db2.gz LBRYLCYKFPEVMK-HNNXBMFYSA-N 1 1 258.365 2.240 50 0 CEAAMO CC[C@H](C(=O)NCCc1cccs1)[N@@H+](C)CC ZINC000822555137 810588133 /nfs/dbraw/zinc/58/81/33/810588133.db2.gz XIUNJJBJCXDSOI-GFCCVEGCSA-N 1 1 254.399 2.137 50 0 CEAAMO Cc1cccnc1N1CCC([N@H+]2CCC[C@H](CO)C2)CC1 ZINC000828711120 810836371 /nfs/dbraw/zinc/83/63/71/810836371.db2.gz GSVGXTIQGJXCJY-HNNXBMFYSA-N 1 1 289.423 2.063 50 0 CEAAMO CC[N@H+](Cc1ccncc1)C1CN(C(=O)c2ccco2)C1 ZINC000581776614 811159873 /nfs/dbraw/zinc/15/98/73/811159873.db2.gz WPINIYFKVVXUGP-UHFFFAOYSA-N 1 1 285.347 2.021 50 0 CEAAMO CC[N@@H+](Cc1ccncc1)C1CN(C(=O)c2ccco2)C1 ZINC000581776614 811159876 /nfs/dbraw/zinc/15/98/76/811159876.db2.gz WPINIYFKVVXUGP-UHFFFAOYSA-N 1 1 285.347 2.021 50 0 CEAAMO CCOCCC(=O)OCC[N@@H+](C)Cc1ccccc1 ZINC000585087045 813668705 /nfs/dbraw/zinc/66/87/05/813668705.db2.gz DPQNFXIBANDZRB-UHFFFAOYSA-N 1 1 265.353 2.088 50 0 CEAAMO c1cc(CC[N@H+]2CCC[C@@H]2c2ccncn2)ccn1 ZINC000585116364 813681186 /nfs/dbraw/zinc/68/11/86/813681186.db2.gz RYBUBIORHNOQLX-OAHLLOKOSA-N 1 1 254.337 2.251 50 0 CEAAMO CSC(C)(C)CC[N@H+]1CCN(C)[C@H](c2nc(C)no2)C1 ZINC000585117830 813685645 /nfs/dbraw/zinc/68/56/45/813685645.db2.gz YQWPJSHHSVDHBU-LBPRGKRZSA-N 1 1 298.456 2.198 50 0 CEAAMO CSc1nc(N)cc(N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)[nH+]1 ZINC000713100173 814844365 /nfs/dbraw/zinc/84/43/65/814844365.db2.gz TXYKHYOXEQGWRG-GGZOMVNGSA-N 1 1 292.408 2.150 50 0 CEAAMO Cn1nccc1C(=O)O[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000096501696 230384989 /nfs/dbraw/zinc/38/49/89/230384989.db2.gz JYVOVAZZMDTJCM-HNNXBMFYSA-N 1 1 299.374 2.242 50 0 CEAAMO Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCC[NH2+]1 ZINC000095828994 185029017 /nfs/dbraw/zinc/02/90/17/185029017.db2.gz WIMYCIGEWONJBR-HNNXBMFYSA-N 1 1 271.364 2.209 50 0 CEAAMO C[N@H+]1CC[C@H](CNC(=O)Nc2ccc(F)cc2F)C1 ZINC000095948179 185037901 /nfs/dbraw/zinc/03/79/01/185037901.db2.gz BWIXQJMYGYSREO-SECBINFHSA-N 1 1 269.295 2.038 50 0 CEAAMO Cc1cccc(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1O ZINC000095953034 185041257 /nfs/dbraw/zinc/04/12/57/185041257.db2.gz DGPBLTXKIWWAMG-QWHCGFSZSA-N 1 1 274.364 2.057 50 0 CEAAMO CC[N@@H+](Cc1cccc(Cl)c1)[C@H]1CCNC1=O ZINC000095978637 185051830 /nfs/dbraw/zinc/05/18/30/185051830.db2.gz BOTZDCLFYPWCDH-LBPRGKRZSA-N 1 1 252.745 2.050 50 0 CEAAMO CCCCc1nc(C[N@H+](CCO)C(C)(C)CO)cs1 ZINC000096012853 185065716 /nfs/dbraw/zinc/06/57/16/185065716.db2.gz VUYDGEANBZYEKG-UHFFFAOYSA-N 1 1 286.441 2.051 50 0 CEAAMO CCCCc1nc(C[N@@H+](CCO)C(C)(C)CO)cs1 ZINC000096012853 185065718 /nfs/dbraw/zinc/06/57/18/185065718.db2.gz VUYDGEANBZYEKG-UHFFFAOYSA-N 1 1 286.441 2.051 50 0 CEAAMO Cc1cc(NCc2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000032553329 361742371 /nfs/dbraw/zinc/74/23/71/361742371.db2.gz JJFNFHVAASTVCC-UHFFFAOYSA-N 1 1 287.363 2.427 50 0 CEAAMO COC1CC[NH+](CC(=O)N2CCCc3ccccc32)CC1 ZINC000032860119 361760486 /nfs/dbraw/zinc/76/04/86/361760486.db2.gz IFPYLBRIBRYMQE-UHFFFAOYSA-N 1 1 288.391 2.077 50 0 CEAAMO CCc1nnsc1C(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000032737143 361753183 /nfs/dbraw/zinc/75/31/83/361753183.db2.gz NPGFUVKGQWRABA-QWRGUYRKSA-N 1 1 296.440 2.093 50 0 CEAAMO CCCC[N@@H+](C)CC(=O)NCc1ccccc1F ZINC000032753223 361754576 /nfs/dbraw/zinc/75/45/76/361754576.db2.gz WZXXGCIQWLVANU-UHFFFAOYSA-N 1 1 252.333 2.174 50 0 CEAAMO C[C@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CCC(O)CC1 ZINC000033040066 361771847 /nfs/dbraw/zinc/77/18/47/361771847.db2.gz TZQWKYQFFDVLDQ-SNVBAGLBSA-N 1 1 282.771 2.124 50 0 CEAAMO C[NH+](C)[C@@H](CNC(=O)Cc1cccs1)c1ccco1 ZINC000036078758 361826390 /nfs/dbraw/zinc/82/63/90/361826390.db2.gz FHFMAMNVBBNHGY-LBPRGKRZSA-N 1 1 278.377 2.303 50 0 CEAAMO CCC[C@H](O)C[N@@H+](C)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036146520 361831431 /nfs/dbraw/zinc/83/14/31/361831431.db2.gz XNGSNGCLCKSLKB-GJZGRUSLSA-N 1 1 276.380 2.272 50 0 CEAAMO COC[C@@H](C)NC(=O)C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000036395365 361846077 /nfs/dbraw/zinc/84/60/77/361846077.db2.gz WHTGEFRYOINSOL-DGCLKSJQSA-N 1 1 282.409 2.036 50 0 CEAAMO COC[C@@H](C)NC(=O)C[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000036395365 361846081 /nfs/dbraw/zinc/84/60/81/361846081.db2.gz WHTGEFRYOINSOL-DGCLKSJQSA-N 1 1 282.409 2.036 50 0 CEAAMO CC[C@H]([NH2+]CC(=O)NC1CC1)c1cc(F)ccc1F ZINC000096491972 529588041 /nfs/dbraw/zinc/58/80/41/529588041.db2.gz SOIYHKRPHDJRCY-ZDUSSCGKSA-N 1 1 268.307 2.284 50 0 CEAAMO C[N@@H+]1[C@H](c2ccccc2)CC(=O)[C@]2(O)CCCC[C@H]12 ZINC000000085683 343349743 /nfs/dbraw/zinc/34/97/43/343349743.db2.gz HKCYHEPGBFQGFR-DZKIICNBSA-N 1 1 259.349 2.306 50 0 CEAAMO C[N@H+]1[C@H](c2ccccc2)CC(=O)[C@]2(O)CCCC[C@H]12 ZINC000000085683 343349747 /nfs/dbraw/zinc/34/97/47/343349747.db2.gz HKCYHEPGBFQGFR-DZKIICNBSA-N 1 1 259.349 2.306 50 0 CEAAMO COc1ccc(CC[C@@H](C)[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000023282529 343381838 /nfs/dbraw/zinc/38/18/38/343381838.db2.gz 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Cc1cc([C@@H]2CCC[N@H+]([C@H](C(N)=O)c3ccccc3)C2)n[nH]1 ZINC000095402741 344236997 /nfs/dbraw/zinc/23/69/97/344236997.db2.gz NFNRBXLABZFUQF-ZBFHGGJFSA-N 1 1 298.390 2.124 50 0 CEAAMO CCc1noc(CN(C)Cc2[nH+]cc(C)c(OC)c2C)n1 ZINC000110030958 344268015 /nfs/dbraw/zinc/26/80/15/344268015.db2.gz WXUZBELNAUDZFW-UHFFFAOYSA-N 1 1 290.367 2.284 50 0 CEAAMO COC[C@@H]1CCC[N@@H+](CC(=O)N[C@H](C)c2ccccc2)C1 ZINC000110590934 344268905 /nfs/dbraw/zinc/26/89/05/344268905.db2.gz YGDMQMUEKNPXBY-HUUCEWRRSA-N 1 1 290.407 2.222 50 0 CEAAMO O=C(CC[N@@H+]1CCCCC[C@@H]1CO)Nc1cccc(F)c1 ZINC000157070178 344444863 /nfs/dbraw/zinc/44/48/63/344444863.db2.gz KNFKTUHIDNGZIK-OAHLLOKOSA-N 1 1 294.370 2.391 50 0 CEAAMO CC[C@@H](C)[N@H+](Cc1cccn1C)C[C@@H](O)COC(C)C ZINC000169677097 344481923 /nfs/dbraw/zinc/48/19/23/344481923.db2.gz JUMIHAPIEITEOV-GDBMZVCRSA-N 1 1 282.428 2.412 50 0 CEAAMO CC[N@H+](Cc1ccc(F)c(F)c1)C[C@H](O)Cn1cccn1 ZINC000052131681 362468439 /nfs/dbraw/zinc/46/84/39/362468439.db2.gz 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/nfs/dbraw/zinc/99/88/31/344998831.db2.gz KEYCOVXOGUVHJN-UHFFFAOYSA-N 1 1 281.787 2.083 50 0 CEAAMO C[N@H+]1CCCCC[C@@H]1C(=O)N1CCCC2(CCOCC2)C1 ZINC000584897213 345001950 /nfs/dbraw/zinc/00/19/50/345001950.db2.gz WUCHFCIJHLBXHA-OAHLLOKOSA-N 1 1 294.439 2.280 50 0 CEAAMO COc1cccc2ncn([C@@H](C)c3[nH]cc(C)[nH+]3)c(=O)c21 ZINC000584901106 345003108 /nfs/dbraw/zinc/00/31/08/345003108.db2.gz DLJCTCOOQUIOSY-JTQLQIEISA-N 1 1 284.319 2.046 50 0 CEAAMO COc1ccccc1[C@H](C)[NH2+]CC(=O)Nc1cc(C)on1 ZINC000058127808 362607819 /nfs/dbraw/zinc/60/78/19/362607819.db2.gz FNOMAQGOASNFEN-NSHDSACASA-N 1 1 289.335 2.281 50 0 CEAAMO C[C@H](C(N)=O)[N@H+](C)Cc1ccc(SC(F)F)cc1 ZINC000058192663 362612098 /nfs/dbraw/zinc/61/20/98/362612098.db2.gz ZWONXNDEZMZOBW-MRVPVSSYSA-N 1 1 274.336 2.307 50 0 CEAAMO C[C@H](C(N)=O)[N@@H+](C)Cc1ccc(SC(F)F)cc1 ZINC000058192663 362612105 /nfs/dbraw/zinc/61/21/05/362612105.db2.gz ZWONXNDEZMZOBW-MRVPVSSYSA-N 1 1 274.336 2.307 50 0 CEAAMO C[C@@H](CNC(=O)c1cc(C2CC2)on1)[N@H+]1CCC[C@H](C)C1 ZINC000058357688 362624126 /nfs/dbraw/zinc/62/41/26/362624126.db2.gz UTPCRFOJHXXSAJ-RYUDHWBXSA-N 1 1 291.395 2.402 50 0 CEAAMO Cc1cc([C@H]2CCC[N@@H+](CCn3nc(C)cc3C)C2)[nH]n1 ZINC000084111251 539494510 /nfs/dbraw/zinc/49/45/10/539494510.db2.gz BJCODEXKNYNRFM-HNNXBMFYSA-N 1 1 287.411 2.411 50 0 CEAAMO Cc1cc(C)n(CC[N@H+]2CCC[C@H](c3cc(C)[nH]n3)C2)n1 ZINC000084111251 539494514 /nfs/dbraw/zinc/49/45/14/539494514.db2.gz BJCODEXKNYNRFM-HNNXBMFYSA-N 1 1 287.411 2.411 50 0 CEAAMO Cc1cc(C)n(CC[N@@H+]2CCC[C@H](c3cc(C)[nH]n3)C2)n1 ZINC000084111251 539494518 /nfs/dbraw/zinc/49/45/18/539494518.db2.gz BJCODEXKNYNRFM-HNNXBMFYSA-N 1 1 287.411 2.411 50 0 CEAAMO COC[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(C)c2)C1 ZINC000062160811 362713686 /nfs/dbraw/zinc/71/36/86/362713686.db2.gz NIMDGOFWXUUIRY-AWEZNQCLSA-N 1 1 276.380 2.292 50 0 CEAAMO Cc1ccc2nc(C[N@H+](C)[C@H](C)C3CC3)cc(=O)n2c1 ZINC000064020955 362780368 /nfs/dbraw/zinc/78/03/68/362780368.db2.gz 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/nfs/dbraw/zinc/81/67/77/362816777.db2.gz QGMLOCLEYSCEGN-CYBMUJFWSA-N 1 1 266.385 2.078 50 0 CEAAMO C[NH+](C)[C@H](C(=O)NCc1cccnc1)c1cccc(F)c1 ZINC000065421839 362820087 /nfs/dbraw/zinc/82/00/87/362820087.db2.gz FNPUPODMNPMVNG-HNNXBMFYSA-N 1 1 287.338 2.140 50 0 CEAAMO c1cn(CCC[NH+]2CCOCC2)c(C2CCCC2)n1 ZINC000065424958 362821402 /nfs/dbraw/zinc/82/14/02/362821402.db2.gz OOQAERNRQHMJMI-UHFFFAOYSA-N 1 1 263.385 2.263 50 0 CEAAMO CC[N@H+](Cc1cccc2c1OCO2)C[C@@H]1CCCO1 ZINC000065434106 362822769 /nfs/dbraw/zinc/82/27/69/362822769.db2.gz GIGZVIPKUMLGNU-ZDUSSCGKSA-N 1 1 263.337 2.416 50 0 CEAAMO O[C@@H]1CC[N@@H+](C[C@H]2CCCN(C/C(Cl)=C\Cl)C2)C1 ZINC000606445258 347474123 /nfs/dbraw/zinc/47/41/23/347474123.db2.gz PGCOLQCFNBOZHF-FTKQDORFSA-N 1 1 293.238 2.084 50 0 CEAAMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1cccc(N(C)C)c1 ZINC000066137466 362852988 /nfs/dbraw/zinc/85/29/88/362852988.db2.gz ISGSVJPHLGYAKI-CYBMUJFWSA-N 1 1 277.412 2.213 50 0 CEAAMO CCN1CCN(c2cc(C[NH2+]CC(C)(C)C)ccn2)CC1 ZINC000066991327 362898629 /nfs/dbraw/zinc/89/86/29/362898629.db2.gz SWVIWQSRQGPZFC-UHFFFAOYSA-N 1 1 290.455 2.359 50 0 CEAAMO NC(=O)C1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000066862595 362890437 /nfs/dbraw/zinc/89/04/37/362890437.db2.gz CTRFVIUHNPCUHN-UHFFFAOYSA-N 1 1 285.347 2.039 50 0 CEAAMO CC(C)NC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2F)C1 ZINC000067673817 362915702 /nfs/dbraw/zinc/91/57/02/362915702.db2.gz ZIBHMAHWUQXWFZ-ZDUSSCGKSA-N 1 1 293.386 2.355 50 0 CEAAMO O=C(C[C@H]1C=CCC1)NC1(C[NH+]2CCOCC2)CCCC1 ZINC000067675065 362916334 /nfs/dbraw/zinc/91/63/34/362916334.db2.gz XJYCJWRXJCSDOW-HNNXBMFYSA-N 1 1 292.423 2.104 50 0 CEAAMO c1ccc(COCCN2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000067654994 362916870 /nfs/dbraw/zinc/91/68/70/362916870.db2.gz GVCGZCAFPLAPAW-KRWDZBQOSA-N 1 1 274.408 2.279 50 0 CEAAMO Cc1oc(C(C)C)cc1C(=O)NCC[C@@H]1C[N@H+](C)CCO1 ZINC000067773749 362924643 /nfs/dbraw/zinc/92/46/43/362924643.db2.gz XKBMDQKISRXPTI-CYBMUJFWSA-N 1 1 294.395 2.162 50 0 CEAAMO Cc1oc(C(C)C)cc1C(=O)NCC[C@@H]1C[N@@H+](C)CCO1 ZINC000067773749 362924650 /nfs/dbraw/zinc/92/46/50/362924650.db2.gz XKBMDQKISRXPTI-CYBMUJFWSA-N 1 1 294.395 2.162 50 0 CEAAMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cc(C)ns2)C1 ZINC000616009478 348428016 /nfs/dbraw/zinc/42/80/16/348428016.db2.gz XHDRTQDVQHLREC-LLVKDONJSA-N 1 1 268.382 2.227 50 0 CEAAMO C[N@H+](Cc1c[nH]nc1-c1ccccc1)Cc1cnc(N)nc1 ZINC000067881343 362930262 /nfs/dbraw/zinc/93/02/62/362930262.db2.gz FGRNBZQETVTAFE-UHFFFAOYSA-N 1 1 294.362 2.081 50 0 CEAAMO C[N@@H+](Cc1c[nH]nc1-c1ccccc1)Cc1cnc(N)nc1 ZINC000067881343 362930267 /nfs/dbraw/zinc/93/02/67/362930267.db2.gz FGRNBZQETVTAFE-UHFFFAOYSA-N 1 1 294.362 2.081 50 0 CEAAMO COCC1(CNC(=O)CC[C@@H]2CCCC[N@H+]2C)CCC1 ZINC000357717428 233129721 /nfs/dbraw/zinc/12/97/21/233129721.db2.gz WDHFODBVHZEPOE-AWEZNQCLSA-N 1 1 282.428 2.184 50 0 CEAAMO C(Cc1n[nH]c2c1CCCC2)CN1CC[N@H+]2CCC[C@H]2C1 ZINC000104643620 186011458 /nfs/dbraw/zinc/01/14/58/186011458.db2.gz HBFBWUUCPGEVAL-AWEZNQCLSA-N 1 1 288.439 2.001 50 0 CEAAMO C(Cc1[nH]nc2c1CCCC2)CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000104643620 186011460 /nfs/dbraw/zinc/01/14/60/186011460.db2.gz HBFBWUUCPGEVAL-AWEZNQCLSA-N 1 1 288.439 2.001 50 0 CEAAMO C(Cc1[nH]nc2c1CCCC2)CN1CC[N@H+]2CCC[C@H]2C1 ZINC000104643620 186011462 /nfs/dbraw/zinc/01/14/62/186011462.db2.gz HBFBWUUCPGEVAL-AWEZNQCLSA-N 1 1 288.439 2.001 50 0 CEAAMO C[C@@H]([NH2+][C@H](CO)c1ccnn1C)c1ccc(C(F)F)nc1 ZINC000624022108 350172796 /nfs/dbraw/zinc/17/27/96/350172796.db2.gz CKCRFNDQCMZMQJ-BXKDBHETSA-N 1 1 296.321 2.137 50 0 CEAAMO CCC[C@@]1(CO)CCC[N@H+](Cc2ccn(CC)n2)C1 ZINC000091321805 180134750 /nfs/dbraw/zinc/13/47/50/180134750.db2.gz ZZCOEAHKDMOYES-OAHLLOKOSA-N 1 1 265.401 2.278 50 0 CEAAMO CCC[C@@]1(CO)CCC[N@@H+](Cc2ccn(CC)n2)C1 ZINC000091321805 180134753 /nfs/dbraw/zinc/13/47/53/180134753.db2.gz ZZCOEAHKDMOYES-OAHLLOKOSA-N 1 1 265.401 2.278 50 0 CEAAMO C[C@@H]1C[N@H+](Cc2cscn2)CC[C@@]1(O)C1CCOCC1 ZINC000091451976 180159101 /nfs/dbraw/zinc/15/91/01/180159101.db2.gz 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/nfs/dbraw/zinc/49/44/58/539494458.db2.gz BJOJAYNNQOYGEG-OAHLLOKOSA-N 1 1 287.411 2.264 50 0 CEAAMO Cc1ccccc1C[N@@H+](CCN(C)C)C[C@H]1CCOC1 ZINC000063870482 362777984 /nfs/dbraw/zinc/77/79/84/362777984.db2.gz VIYNJCSSYKNPJR-MRXNPFEDSA-N 1 1 276.424 2.395 50 0 CEAAMO Cc1ccccc1CN(CC[NH+](C)C)C[C@H]1CCOC1 ZINC000063870482 362777988 /nfs/dbraw/zinc/77/79/88/362777988.db2.gz VIYNJCSSYKNPJR-MRXNPFEDSA-N 1 1 276.424 2.395 50 0 CEAAMO CC[NH+]1CCN(C(=O)c2ncoc2-c2ccccc2)CC1 ZINC000064556779 362791119 /nfs/dbraw/zinc/79/11/19/362791119.db2.gz DFXFOMNUHLOHQE-UHFFFAOYSA-N 1 1 285.347 2.119 50 0 CEAAMO Cc1[nH+]ccn1Cc1noc(-c2ccccc2F)n1 ZINC000064551251 362789067 /nfs/dbraw/zinc/78/90/67/362789067.db2.gz VTKJZHUCXKRXHZ-UHFFFAOYSA-N 1 1 258.256 2.429 50 0 CEAAMO CC(C)C[C@@]1(CO)CCC[N@H+](Cc2ncc[nH]2)C1 ZINC000065387166 362815302 /nfs/dbraw/zinc/81/53/02/362815302.db2.gz GCUXMSLSWFAPCX-AWEZNQCLSA-N 1 1 251.374 2.030 50 0 CEAAMO CC(C)C[C@@]1(CO)CCC[N@@H+](Cc2ncc[nH]2)C1 ZINC000065387166 362815305 /nfs/dbraw/zinc/81/53/05/362815305.db2.gz GCUXMSLSWFAPCX-AWEZNQCLSA-N 1 1 251.374 2.030 50 0 CEAAMO C[N@H+](Cc1cc(C(C)(C)C)n[nH]1)C[C@H]1CCOC1 ZINC000065397317 362817159 /nfs/dbraw/zinc/81/71/59/362817159.db2.gz PMJHMXPICCDDCU-LLVKDONJSA-N 1 1 251.374 2.176 50 0 CEAAMO CCc1ncc(C(=O)NCC[N@H+]2CCC[C@@H](C)C2)s1 ZINC000065402421 362817231 /nfs/dbraw/zinc/81/72/31/362817231.db2.gz YGYBHWPENOOSNV-LLVKDONJSA-N 1 1 281.425 2.167 50 0 CEAAMO CC(=O)N1CCC([N@H+]2CCC[C@](CO)(CC(C)C)C2)CC1 ZINC000065397606 362817445 /nfs/dbraw/zinc/81/74/45/362817445.db2.gz FXTLCTWPYVDLNK-KRWDZBQOSA-N 1 1 296.455 2.118 50 0 CEAAMO Cc1ncc(C(=O)NCC[N@@H+]2CCCC[C@@H]2C)s1 ZINC000065406108 362818882 /nfs/dbraw/zinc/81/88/82/362818882.db2.gz UITKTOUPNCFMOE-JTQLQIEISA-N 1 1 267.398 2.056 50 0 CEAAMO CC[N@@H+](CCN1CCOCC1)Cc1ccnc2ccccc12 ZINC000065385620 362814028 /nfs/dbraw/zinc/81/40/28/362814028.db2.gz VTVILVRSPYXHLQ-UHFFFAOYSA-N 1 1 299.418 2.389 50 0 CEAAMO CC[N@@H+](C)CCNC(=O)c1cc(-c2ccccc2C)n[nH]1 ZINC000065430012 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2.489 50 0 CEAAMO CCNC(=O)C[N@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000072174173 176333621 /nfs/dbraw/zinc/33/36/21/176333621.db2.gz TVUQRTFFSYRSIK-CQSZACIVSA-N 1 1 264.344 2.489 50 0 CEAAMO Fc1ccc(N2CCCN(C[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000072172538 176333890 /nfs/dbraw/zinc/33/38/90/176333890.db2.gz QTRLHDPKOYFIDG-OAHLLOKOSA-N 1 1 291.414 2.337 50 0 CEAAMO c1cc([C@@H]2CCC[N@H+](CCc3ccccn3)C2)n[nH]1 ZINC000072242469 176349044 /nfs/dbraw/zinc/34/90/44/176349044.db2.gz FZHHWQIQOIKQBC-CYBMUJFWSA-N 1 1 256.353 2.227 50 0 CEAAMO c1cc([C@@H]2CCC[N@@H+](CCc3ccccn3)C2)[nH]n1 ZINC000072242469 176349046 /nfs/dbraw/zinc/34/90/46/176349046.db2.gz FZHHWQIQOIKQBC-CYBMUJFWSA-N 1 1 256.353 2.227 50 0 CEAAMO c1cc([C@@H]2CCC[N@H+](CCc3ccccn3)C2)[nH]n1 ZINC000072242469 176349048 /nfs/dbraw/zinc/34/90/48/176349048.db2.gz FZHHWQIQOIKQBC-CYBMUJFWSA-N 1 1 256.353 2.227 50 0 CEAAMO Cc1nc[nH]c1CN1CCC([C@H](C)[NH+]2CCCC2)CC1 ZINC000072407655 176397788 /nfs/dbraw/zinc/39/77/88/176397788.db2.gz 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/nfs/dbraw/zinc/14/62/67/260146267.db2.gz HUSBTDZPXKJKQR-UHFFFAOYSA-N 1 1 268.360 2.460 50 0 CEAAMO C[C@@H]1C[C@@H](Nc2cccc3c2OCCO3)C[N@H+]1C1CC1 ZINC000097034047 274395151 /nfs/dbraw/zinc/39/51/51/274395151.db2.gz XFIBWXVQNPGNKM-VXGBXAGGSA-N 1 1 274.364 2.495 50 0 CEAAMO c1cc2c(ncnc2N2CCC[N@H+](C3CCCC3)CC2)[nH]1 ZINC000077286269 275064867 /nfs/dbraw/zinc/06/48/67/275064867.db2.gz WMJGYBBFUFJEFZ-UHFFFAOYSA-N 1 1 285.395 2.413 50 0 CEAAMO c1cc2c(ncnc2N[C@@H]2CC[N@H+](C3CC3)C2)s1 ZINC000044411807 275065298 /nfs/dbraw/zinc/06/52/98/275065298.db2.gz WHJWLEZOPRSVLX-SECBINFHSA-N 1 1 260.366 2.340 50 0 CEAAMO CC[N@H+](C)C[C@H](O)CN[C@H](c1ccc(OC)cc1)C(C)C ZINC000408523210 276073922 /nfs/dbraw/zinc/07/39/22/276073922.db2.gz HWEFEHKTPNMFFZ-WBVHZDCISA-N 1 1 294.439 2.295 50 0 CEAAMO CC[N@@H+](C)C[C@H](O)CN[C@H](c1ccc(OC)cc1)C(C)C ZINC000408523210 276073923 /nfs/dbraw/zinc/07/39/23/276073923.db2.gz HWEFEHKTPNMFFZ-WBVHZDCISA-N 1 1 294.439 2.295 50 0 CEAAMO CCN(C)C[C@H](O)C[NH2+][C@H](c1ccc(OC)cc1)C(C)C ZINC000408523210 276073925 /nfs/dbraw/zinc/07/39/25/276073925.db2.gz HWEFEHKTPNMFFZ-WBVHZDCISA-N 1 1 294.439 2.295 50 0 CEAAMO CC(C)(C)OC(=O)C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000376584639 277178562 /nfs/dbraw/zinc/17/85/62/277178562.db2.gz BFUUMFIVBMXDNZ-GFCCVEGCSA-N 1 1 269.385 2.267 50 0 CEAAMO Cc1c[nH+]ccc1N1CCN([C@H]2CCSC2)CC1 ZINC000376012873 279027577 /nfs/dbraw/zinc/02/75/77/279027577.db2.gz FLWXHNYMCTYQGO-ZDUSSCGKSA-N 1 1 263.410 2.018 50 0 CEAAMO Cc1[nH]ccc1C(=O)NC[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000534665560 328345174 /nfs/dbraw/zinc/34/51/74/328345174.db2.gz PJPXAINWUNOXNK-ZDUSSCGKSA-N 1 1 275.396 2.317 50 0 CEAAMO CC(C)SCC(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000534672433 328348311 /nfs/dbraw/zinc/34/83/11/328348311.db2.gz AOYAUDSNQNEKJX-LBPRGKRZSA-N 1 1 272.458 2.365 50 0 CEAAMO Cc1[nH+]ccn1CCCCNC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC000076022659 327128464 /nfs/dbraw/zinc/12/84/64/327128464.db2.gz BODXFWDROABOKG-JKSUJKDBSA-N 1 1 298.390 2.287 50 0 CEAAMO C[N@@H+](CCCc1nnnn1-c1ccccc1)Cc1ccco1 ZINC000048374707 522799662 /nfs/dbraw/zinc/79/96/62/522799662.db2.gz JETHDZRLILNRKA-UHFFFAOYSA-N 1 1 297.362 2.320 50 0 CEAAMO O[C@@H]1CC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000061708111 527674607 /nfs/dbraw/zinc/67/46/07/527674607.db2.gz BQGPYIFFVRVBBR-SNVBAGLBSA-N 1 1 261.243 2.152 50 0 CEAAMO Cn1c2c(nc1C1CC1)C[N@H+](CCc1ccccn1)CC2 ZINC000084310878 566881829 /nfs/dbraw/zinc/88/18/29/566881829.db2.gz WCZDSNRCLWNKEZ-UHFFFAOYSA-N 1 1 282.391 2.293 50 0 CEAAMO C[N@H+]1CCC[C@H](c2cc(=O)[nH]c(-c3cccs3)n2)C1 ZINC000023580868 625958756 /nfs/dbraw/zinc/95/87/56/625958756.db2.gz COTXYAFILXUJDL-JTQLQIEISA-N 1 1 275.377 2.308 50 0 CEAAMO FC(F)(F)CC[NH2+]Cc1nncn1-c1ccccc1 ZINC000888101110 628869817 /nfs/dbraw/zinc/86/98/17/628869817.db2.gz DYILSLZNKNWHCR-UHFFFAOYSA-N 1 1 270.258 2.309 50 0 CEAAMO CC(C)(C[NH+]1CCOCC1)c1nc2cc(C#N)ccc2[nH]1 ZINC000199468964 639598156 /nfs/dbraw/zinc/59/81/56/639598156.db2.gz OSTMVCJCMNUTAO-UHFFFAOYSA-N 1 1 284.363 2.044 50 0 CEAAMO C[C@H](c1nc(-c2ccc3c(c2)CCO3)no1)[NH+](C)C ZINC000874435465 640972755 /nfs/dbraw/zinc/97/27/55/640972755.db2.gz URIFRJMSJVKMEQ-SECBINFHSA-N 1 1 259.309 2.294 50 0 CEAAMO Fc1ccccc1-c1noc([C@@H]2C[N@H+]3CCC[C@H]3CO2)n1 ZINC000874435422 640973276 /nfs/dbraw/zinc/97/32/76/640973276.db2.gz SFKNVHBVARIQGZ-GWCFXTLKSA-N 1 1 289.310 2.411 50 0 CEAAMO Cc1nonc1[C@H](C)[NH2+]CCn1c(C)nc2ccccc21 ZINC000863984651 646865153 /nfs/dbraw/zinc/86/51/53/646865153.db2.gz XSBVCGKABMSYLO-JTQLQIEISA-N 1 1 285.351 2.387 50 0 CEAAMO CCC[C@@H]1C=CCN1C(=O)CCn1cc[nH+]c1CC ZINC000952869567 815070991 /nfs/dbraw/zinc/07/09/91/815070991.db2.gz VGPMQSTUHRTYHY-CYBMUJFWSA-N 1 1 261.369 2.403 50 0 CEAAMO Oc1ccc(O)c(SCCCC[NH+]2CCOCC2)c1 ZINC000028713615 805395273 /nfs/dbraw/zinc/39/52/73/805395273.db2.gz ZSTCOANFSRKXBU-UHFFFAOYSA-N 1 1 283.393 2.302 50 0 CEAAMO Cc1cccc([C@H](C(=O)NCCc2cccn2C)[NH+](C)C)c1 ZINC000952974616 815086482 /nfs/dbraw/zinc/08/64/82/815086482.db2.gz 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c1ccc(CN2CC[C@@H](C[NH2+]C3CCOCC3)C2)cc1 ZINC000065398183 362817372 /nfs/dbraw/zinc/81/73/72/362817372.db2.gz GRIPPXAEOIPCSJ-INIZCTEOSA-N 1 1 274.408 2.277 50 0 CEAAMO C[NH+](C)[C@@H](C(=O)NCc1cccnc1)c1cccc(F)c1 ZINC000065421843 362820519 /nfs/dbraw/zinc/82/05/19/362820519.db2.gz FNPUPODMNPMVNG-OAHLLOKOSA-N 1 1 287.338 2.140 50 0 CEAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCCCn2cncn2)C1 ZINC000065576793 362837214 /nfs/dbraw/zinc/83/72/14/362837214.db2.gz LJRJBZBDJPLKJW-OKILXGFUSA-N 1 1 250.390 2.426 50 0 CEAAMO O=C(Nc1cccc(F)c1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000065575676 362837752 /nfs/dbraw/zinc/83/77/52/362837752.db2.gz RBRFZJBMYIYQBU-LBPRGKRZSA-N 1 1 263.316 2.184 50 0 CEAAMO O=C1OCCN1CCC[N@@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000065605752 362840034 /nfs/dbraw/zinc/84/00/34/362840034.db2.gz XLIKDOJVQGOGMH-OAHLLOKOSA-N 1 1 290.363 2.371 50 0 CEAAMO CCc1cccc(NC(=O)NCCC[NH+]2CCOCC2)c1 ZINC000065535750 362833246 /nfs/dbraw/zinc/83/32/46/362833246.db2.gz DKHVTMNVXVSXDW-UHFFFAOYSA-N 1 1 291.395 2.093 50 0 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ZINC000069776182 362998086 /nfs/dbraw/zinc/99/80/86/362998086.db2.gz NBJANCACYITHKX-ZDUSSCGKSA-N 1 1 264.344 2.140 50 0 CEAAMO Cc1ccoc1C(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C ZINC000069808169 363003417 /nfs/dbraw/zinc/00/34/17/363003417.db2.gz XKQQBUBIPTYTKD-QWHCGFSZSA-N 1 1 262.353 2.287 50 0 CEAAMO c1cnn(C[C@H]2CCCC[N@@H+]2Cc2cscn2)c1 ZINC000069811418 363004186 /nfs/dbraw/zinc/00/41/86/363004186.db2.gz QHBSAASERRVLKK-CYBMUJFWSA-N 1 1 262.382 2.394 50 0 CEAAMO c1cnn(C[C@H]2CCCC[N@H+]2Cc2cscn2)c1 ZINC000069811418 363004191 /nfs/dbraw/zinc/00/41/91/363004191.db2.gz QHBSAASERRVLKK-CYBMUJFWSA-N 1 1 262.382 2.394 50 0 CEAAMO CC(C)c1nnc(C[NH2+][C@H](C)[C@@H](C)n2cccn2)o1 ZINC000069813276 363004746 /nfs/dbraw/zinc/00/47/46/363004746.db2.gz KXRUERXEACPQMR-GHMZBOCLSA-N 1 1 263.345 2.129 50 0 CEAAMO COc1ccc(NC(=O)CC[N@H+]2CCOCC2(C)C)cc1 ZINC000069778667 363000149 /nfs/dbraw/zinc/00/01/49/363000149.db2.gz UGKVLHATZMBJGF-UHFFFAOYSA-N 1 1 292.379 2.135 50 0 CEAAMO CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1cc(C)no1 ZINC000069894596 363012493 /nfs/dbraw/zinc/01/24/93/363012493.db2.gz OFUSNYKVZHTYCX-OLZOCXBDSA-N 1 1 277.368 2.072 50 0 CEAAMO S=C(NC1CC1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000069968488 363016553 /nfs/dbraw/zinc/01/65/53/363016553.db2.gz MGLCNTRNCMAXTO-OAHLLOKOSA-N 1 1 289.448 2.278 50 0 CEAAMO c1cnn(CC[NH2+]Cc2cc(-c3cccs3)on2)c1 ZINC000070018120 363022047 /nfs/dbraw/zinc/02/20/47/363022047.db2.gz XGIPBRNACHDICP-UHFFFAOYSA-N 1 1 274.349 2.389 50 0 CEAAMO CC(C)[N@H+]1CC[C@H](NC(=O)c2cc(=O)[nH]c3ccccc32)C1 ZINC000070877987 363103596 /nfs/dbraw/zinc/10/35/96/363103596.db2.gz NLKXBRXALSHDNM-LBPRGKRZSA-N 1 1 299.374 2.153 50 0 CEAAMO Cc1nc(C[N@H+](C)CCc2scnc2C)co1 ZINC000072454019 363136995 /nfs/dbraw/zinc/13/69/95/363136995.db2.gz VPGHZUHYCQHSMY-UHFFFAOYSA-N 1 1 251.355 2.422 50 0 CEAAMO Cc1nc(C[N@@H+](C)CCc2scnc2C)co1 ZINC000072454019 363137000 /nfs/dbraw/zinc/13/70/00/363137000.db2.gz VPGHZUHYCQHSMY-UHFFFAOYSA-N 1 1 251.355 2.422 50 0 CEAAMO CCOc1nnc(C[NH2+][C@H](C)[C@@H](C)n2cc(C)cn2)s1 ZINC000071882159 363117966 /nfs/dbraw/zinc/11/79/66/363117966.db2.gz MYBMHTWXQNYTKK-GHMZBOCLSA-N 1 1 295.412 2.181 50 0 CEAAMO c1cnn(C[C@@H]2CCCC[N@@H+]2CCc2ccncc2)c1 ZINC000072267527 363123802 /nfs/dbraw/zinc/12/38/02/363123802.db2.gz HZKAHQNYVYRPGP-INIZCTEOSA-N 1 1 270.380 2.375 50 0 CEAAMO Cc1cc2nc(C(C)C)cc(N3C[C@@H]4C[C@H]3C[N@H+]4C)n2n1 ZINC000072427807 363134570 /nfs/dbraw/zinc/13/45/70/363134570.db2.gz IWLYHHWQWFILOF-STQMWFEESA-N 1 1 285.395 2.054 50 0 CEAAMO C[C@@H](Nc1nc(N(C)C)cc[nH+]1)c1cccc(O)c1 ZINC000153408705 188081213 /nfs/dbraw/zinc/08/12/13/188081213.db2.gz DQDVCNAPGHTKAH-SNVBAGLBSA-N 1 1 258.325 2.421 50 0 CEAAMO COCCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000075104242 363440732 /nfs/dbraw/zinc/44/07/32/363440732.db2.gz FRTGZTFXGOFRIF-ZBFHGGJFSA-N 1 1 290.407 2.050 50 0 CEAAMO Cc1[nH+]ccn1C1CN(C(=O)CCc2ccccc2)C1 ZINC000575551155 366294696 /nfs/dbraw/zinc/29/46/96/366294696.db2.gz PJJYXUYZYQYWMJ-UHFFFAOYSA-N 1 1 269.348 2.208 50 0 CEAAMO Cc1nnc([C@@H]2C[N@H+](CCC3CCCC3)CCO2)[nH]1 ZINC000076049082 363512476 /nfs/dbraw/zinc/51/24/76/363512476.db2.gz HRVTYPXDUMTMBI-ZDUSSCGKSA-N 1 1 264.373 2.067 50 0 CEAAMO Cc1nnc([C@@H]2C[N@@H+](CCC3CCCC3)CCO2)[nH]1 ZINC000076049082 363512480 /nfs/dbraw/zinc/51/24/80/363512480.db2.gz HRVTYPXDUMTMBI-ZDUSSCGKSA-N 1 1 264.373 2.067 50 0 CEAAMO COCC1CCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC000078966181 363560067 /nfs/dbraw/zinc/56/00/67/363560067.db2.gz SMDVZIGTLDPFQS-UHFFFAOYSA-N 1 1 293.411 2.282 50 0 CEAAMO CCc1nc(C[NH2+][C@]2(CO)C[C@@H](C)CC(C)(C)C2)no1 ZINC000079015692 363565866 /nfs/dbraw/zinc/56/58/66/363565866.db2.gz BJCXLPDMSWQWAD-XHDPSFHLSA-N 1 1 281.400 2.299 50 0 CEAAMO COCC1(O)CC[NH+](Cc2sccc2Cl)CC1 ZINC000338571974 366420146 /nfs/dbraw/zinc/42/01/46/366420146.db2.gz ZJIJEWVURMZNAR-UHFFFAOYSA-N 1 1 275.801 2.375 50 0 CEAAMO c1c[nH]c([C@@H]2CCC[N@@H+](C3CSCCSC3)C2)n1 ZINC000670441936 540411232 /nfs/dbraw/zinc/41/12/32/540411232.db2.gz YNZCBPMZLGZYSD-LLVKDONJSA-N 1 1 283.466 2.438 50 0 CEAAMO CN(C)[C@H]1CCC[N@H+](Cc2cccc(Cn3cccn3)c2)C1 ZINC000670446570 540413515 /nfs/dbraw/zinc/41/35/15/540413515.db2.gz XBUWOSHMSHUHKG-SFHVURJKSA-N 1 1 298.434 2.457 50 0 CEAAMO CN(C)[C@H]1CCC[N@@H+](Cc2cccc(Cn3cccn3)c2)C1 ZINC000670446570 540413516 /nfs/dbraw/zinc/41/35/16/540413516.db2.gz XBUWOSHMSHUHKG-SFHVURJKSA-N 1 1 298.434 2.457 50 0 CEAAMO C[N@H+]1CC[C@H]2CC[C@@H](C1)N2c1nc(-c2ccccc2)no1 ZINC000670446864 540413065 /nfs/dbraw/zinc/41/30/65/540413065.db2.gz MKEBZHZMVUHHLE-KGLIPLIRSA-N 1 1 284.363 2.410 50 0 CEAAMO Cc1nc(C(F)(F)F)ncc1C[N@H+]1CCC[C@@](C)(O)C1 ZINC000670450489 540414564 /nfs/dbraw/zinc/41/45/64/540414564.db2.gz QOUAPGCXOWNWTE-GFCCVEGCSA-N 1 1 289.301 2.151 50 0 CEAAMO Cc1nncn1CC[N@H+](C)Cc1cnc2ccccc2c1 ZINC000670453663 540417055 /nfs/dbraw/zinc/41/70/55/540417055.db2.gz GVVSXVMSKPQGAH-UHFFFAOYSA-N 1 1 281.363 2.267 50 0 CEAAMO C[N@H+](Cc1cnc(N)s1)C[C@H]1Cc2ccccc2O1 ZINC000670458839 540420290 /nfs/dbraw/zinc/42/02/90/540420290.db2.gz INTYOZUGYQBTGX-LLVKDONJSA-N 1 1 275.377 2.161 50 0 CEAAMO CC(C)N1CC[N@H+](C2CSCCSC2)C[C@@H]1C ZINC000670469331 540426860 /nfs/dbraw/zinc/42/68/60/540426860.db2.gz VHLCVTPGIOHONA-LBPRGKRZSA-N 1 1 274.499 2.250 50 0 CEAAMO COC[C@](C)(CCO)[NH2+]Cc1c(F)cccc1Cl ZINC000079920005 363633414 /nfs/dbraw/zinc/63/34/14/363633414.db2.gz PMIPMBUDTXZEJO-ZDUSSCGKSA-N 1 1 275.751 2.356 50 0 CEAAMO C[Si](C)(C)C[N@@H+](Cc1ccccc1)[C@H]1COC[C@@H]1N ZINC000685965963 540664429 /nfs/dbraw/zinc/66/44/29/540664429.db2.gz GJIQDNHYJMATDK-GJZGRUSLSA-N 1 1 278.472 2.092 50 0 CEAAMO C[Si](C)(C)CN(Cc1ccccc1)[C@H]1COC[C@@H]1[NH3+] ZINC000685965963 540664432 /nfs/dbraw/zinc/66/44/32/540664432.db2.gz GJIQDNHYJMATDK-GJZGRUSLSA-N 1 1 278.472 2.092 50 0 CEAAMO OC[C@H]1CCC[N@H+]1Cc1ccccc1Br ZINC000000182622 361141138 /nfs/dbraw/zinc/14/11/38/361141138.db2.gz DMXHEWBCXJAQOB-LLVKDONJSA-N 1 1 270.170 2.406 50 0 CEAAMO COc1cc(C[NH+]2CCSCC2)cc(OC)c1OC ZINC000000241959 361150909 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266.410 2.368 50 0 CEAAMO CC(C)(C)c1ccc(C[N@H+]2CCNC(=O)CC2)s1 ZINC000093101772 364141510 /nfs/dbraw/zinc/14/15/10/364141510.db2.gz KNWAMNKQPDVMAB-UHFFFAOYSA-N 1 1 266.410 2.368 50 0 CEAAMO Cc1ccc(C[N@H+]2CC[C@@H](CN3CCOCC3)C2)s1 ZINC000093664242 364213003 /nfs/dbraw/zinc/21/30/03/364213003.db2.gz BUXDSSIWEDIUEL-AWEZNQCLSA-N 1 1 280.437 2.211 50 0 CEAAMO COC(=O)c1cc(C[N@@H+](C)[C@@H]2[C@H]3CCO[C@H]3C2(C)C)c[nH]1 ZINC000239367400 370776984 /nfs/dbraw/zinc/77/69/84/370776984.db2.gz AINNITVOTFVLEH-MRVWCRGKSA-N 1 1 292.379 2.047 50 0 CEAAMO CCn1ccc(C[N@H+](C)C[C@H]2Cc3ccccc3O2)n1 ZINC000240128296 370778675 /nfs/dbraw/zinc/77/86/75/370778675.db2.gz IPLFBFRSAGBVFK-OAHLLOKOSA-N 1 1 271.364 2.339 50 0 CEAAMO CCn1ccc(C[N@@H+](C)C[C@H]2Cc3ccccc3O2)n1 ZINC000240128296 370778682 /nfs/dbraw/zinc/77/86/82/370778682.db2.gz IPLFBFRSAGBVFK-OAHLLOKOSA-N 1 1 271.364 2.339 50 0 CEAAMO CCCCOC(=O)c1c(N)sc2c1CC[N@@H+](C)C2 ZINC000095117329 364340599 /nfs/dbraw/zinc/34/05/99/364340599.db2.gz 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/nfs/dbraw/zinc/16/06/41/186160641.db2.gz BRBOTNZXDYAJIX-CABCVRRESA-N 1 1 274.364 2.205 50 0 CEAAMO C[C@@H](C1CC1)[N@@H+](C)C[C@H](O)COc1ccc(F)cc1 ZINC000069420377 362966554 /nfs/dbraw/zinc/96/65/54/362966554.db2.gz ZEVCSXFSEIULDH-FZMZJTMJSA-N 1 1 267.344 2.296 50 0 CEAAMO COC(=O)[C@H]1C[N@@H+]([C@H](C)CCc2cccc(F)c2)CCO1 ZINC000108496522 186219316 /nfs/dbraw/zinc/21/93/16/186219316.db2.gz PMZXVQMHVFXCJA-IUODEOHRSA-N 1 1 295.354 2.021 50 0 CEAAMO COC(=O)[C@H]1C[N@H+]([C@H](C)CCc2cccc(F)c2)CCO1 ZINC000108496522 186219318 /nfs/dbraw/zinc/21/93/18/186219318.db2.gz PMZXVQMHVFXCJA-IUODEOHRSA-N 1 1 295.354 2.021 50 0 CEAAMO Cc1ncc(C(=O)N2CCC[C@H]2[C@@H]2CCC[N@@H+]2C)s1 ZINC000069464171 362971240 /nfs/dbraw/zinc/97/12/40/362971240.db2.gz UHMLBCNOSDSTKW-RYUDHWBXSA-N 1 1 279.409 2.150 50 0 CEAAMO Cc1cnn([C@H](C)[C@H](C)[NH2+]Cc2nnc(C3CC3)o2)c1 ZINC000069455077 362970476 /nfs/dbraw/zinc/97/04/76/362970476.db2.gz KQZIQWAJZVRCQX-WDEREUQCSA-N 1 1 275.356 2.191 50 0 CEAAMO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1Cc1cccnc1 ZINC000069595822 362983719 /nfs/dbraw/zinc/98/37/19/362983719.db2.gz BEUUZWKXEAGVKK-HZPDHXFCSA-N 1 1 273.380 2.057 50 0 CEAAMO c1ncn(C[C@H]2CCC[N@@H+]2CCCc2ccccc2)n1 ZINC000069601699 362984493 /nfs/dbraw/zinc/98/44/93/362984493.db2.gz BBCKUYPQMAGSNO-MRXNPFEDSA-N 1 1 270.380 2.375 50 0 CEAAMO Cc1[nH+]ccn1CCCC(=O)N[C@@H]1COc2ccccc21 ZINC000069740288 362995775 /nfs/dbraw/zinc/99/57/75/362995775.db2.gz QIGNUKFDFRQZKS-CQSZACIVSA-N 1 1 285.347 2.222 50 0 CEAAMO CC[N@@H+]1CCCC[C@H]1C(=O)Nc1cnn(C(C)(C)C)c1 ZINC000069900297 363011876 /nfs/dbraw/zinc/01/18/76/363011876.db2.gz RQGIESGJBLNEGS-ZDUSSCGKSA-N 1 1 278.400 2.451 50 0 CEAAMO CC[N@H+]1CCCC[C@H]1C(=O)Nc1cnn(C(C)(C)C)c1 ZINC000069900297 363011884 /nfs/dbraw/zinc/01/18/84/363011884.db2.gz RQGIESGJBLNEGS-ZDUSSCGKSA-N 1 1 278.400 2.451 50 0 CEAAMO CCn1c2cccc(F)c2nc1C[N@@H+]1CCC[C@H]1CO ZINC000069896679 363012358 /nfs/dbraw/zinc/01/23/58/363012358.db2.gz BOWAXYIXTLUSTO-NSHDSACASA-N 1 1 277.343 2.152 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282.413 2.176 50 0 CEAAMO Cc1ccc[nH+]c1NCCNc1nnc(C2CC2)o1 ZINC000095365326 364346220 /nfs/dbraw/zinc/34/62/20/364346220.db2.gz OPJZULDWPQDQLH-UHFFFAOYSA-N 1 1 259.313 2.174 50 0 CEAAMO Cc1nc(C[NH2+][C@H](Cc2ccccc2)C2CC2)no1 ZINC000097049008 364434152 /nfs/dbraw/zinc/43/41/52/364434152.db2.gz LFDZYPLEAAFYKN-CQSZACIVSA-N 1 1 257.337 2.489 50 0 CEAAMO Cc1ccc(NC[C@@H]2CC[N@@H+](Cc3cnc(C)cn3)C2)nc1 ZINC000097200533 364475411 /nfs/dbraw/zinc/47/54/11/364475411.db2.gz SGAGYZRMAODJCG-HNNXBMFYSA-N 1 1 297.406 2.422 50 0 CEAAMO CCCc1[nH+]ccn1CC(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000241173044 370781846 /nfs/dbraw/zinc/78/18/46/370781846.db2.gz KFOICBBWXUHFFE-UHFFFAOYSA-N 1 1 299.330 2.049 50 0 CEAAMO Cc1noc(C2CCN(c3cccc(C)[nH+]3)CC2)n1 ZINC000157200246 366842894 /nfs/dbraw/zinc/84/28/94/366842894.db2.gz BRKRVQCGRSAUJO-UHFFFAOYSA-N 1 1 258.325 2.465 50 0 CEAAMO CS(=O)(=O)C[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000097813877 364519798 /nfs/dbraw/zinc/51/97/98/364519798.db2.gz JBNRJFKXLZLUES-MRXNPFEDSA-N 1 1 295.448 2.376 50 0 CEAAMO C[C@H]1C[N@@H+](C)CCN1C(=O)/C=C\c1cccc(F)c1 ZINC000098055828 364527869 /nfs/dbraw/zinc/52/78/69/364527869.db2.gz QRRHLEIKJJICSG-DGMVEKRQSA-N 1 1 262.328 2.001 50 0 CEAAMO c1cc(C[N@H+]2CCC[C@@H](c3ccncn3)C2)ccn1 ZINC000097578967 364510480 /nfs/dbraw/zinc/51/04/80/364510480.db2.gz GPHLKPAGLUXQDC-CQSZACIVSA-N 1 1 254.337 2.251 50 0 CEAAMO O[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C(F)(F)F ZINC000101648774 364569477 /nfs/dbraw/zinc/56/94/77/364569477.db2.gz OHFZOQIFUMKHBT-RYUDHWBXSA-N 1 1 259.271 2.432 50 0 CEAAMO CNC(=O)CC[N@H+]1CC[C@@H](C)[C@@H]1c1cccc(F)c1 ZINC000110654716 364723521 /nfs/dbraw/zinc/72/35/21/364723521.db2.gz YIAZIROAPIGUSH-IAQYHMDHSA-N 1 1 264.344 2.345 50 0 CEAAMO CC[C@H](O)C[N@@H+]1CCC[C@H]1CN1CCCCCC1 ZINC000241776755 370784440 /nfs/dbraw/zinc/78/44/40/370784440.db2.gz RSEYLMRCUUVWRH-GJZGRUSLSA-N 1 1 254.418 2.098 50 0 CEAAMO CC[C@H](O)C[N@H+]1CCC[C@H]1CN1CCCCCC1 ZINC000241776755 370784443 /nfs/dbraw/zinc/78/44/43/370784443.db2.gz 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c1ccc(-c2ccc(NCCC[NH+]3CCOCC3)nn2)cc1 ZINC000020676722 171269741 /nfs/dbraw/zinc/26/97/41/171269741.db2.gz DCGURYWASRIQQT-UHFFFAOYSA-N 1 1 298.390 2.278 50 0 CEAAMO COc1cc(C(=O)N(C)C[C@@H]2CCCC[N@H+]2C)ccc1F ZINC000020905510 171279583 /nfs/dbraw/zinc/27/95/83/171279583.db2.gz LHNZRTPKZAMAMR-ZDUSSCGKSA-N 1 1 294.370 2.391 50 0 CEAAMO CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ncc(C2CC2)o1 ZINC000284725122 196119443 /nfs/dbraw/zinc/11/94/43/196119443.db2.gz JXTKBYIZCMXDJR-ZDUSSCGKSA-N 1 1 291.395 2.433 50 0 CEAAMO CCNC(=O)C[C@@H]1CCCC[N@H+]1Cc1ncc(C2CC2)o1 ZINC000284725122 196119444 /nfs/dbraw/zinc/11/94/44/196119444.db2.gz JXTKBYIZCMXDJR-ZDUSSCGKSA-N 1 1 291.395 2.433 50 0 CEAAMO COc1ccnc(C[N@H+]2CCSCC[C@H]2C)c1OC ZINC000285703910 196372311 /nfs/dbraw/zinc/37/23/11/196372311.db2.gz CWSQBNJYFANVSC-LLVKDONJSA-N 1 1 282.409 2.426 50 0 CEAAMO CCN(CC)C(=O)C[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC000040049893 174185237 /nfs/dbraw/zinc/18/52/37/174185237.db2.gz UQCAACOWPNFFBL-OAHLLOKOSA-N 1 1 260.381 2.474 50 0 CEAAMO Cc1cc(N(Cc2ccc(C(N)=O)cc2)C2CC2)nc(C)[nH+]1 ZINC000040067574 174186293 /nfs/dbraw/zinc/18/62/93/174186293.db2.gz KSQOMGZDYCPHHW-UHFFFAOYSA-N 1 1 296.374 2.361 50 0 CEAAMO Cc1n[nH]c(C)c1C[NH2+]Cc1cccc2c1OCO2 ZINC000040667153 174366836 /nfs/dbraw/zinc/36/68/36/174366836.db2.gz KNNRJFKLLRJKMQ-UHFFFAOYSA-N 1 1 259.309 2.045 50 0 CEAAMO C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2c2cccs2)CCO1 ZINC000044892714 175273127 /nfs/dbraw/zinc/27/31/27/175273127.db2.gz ABCBPPKNGGYMQM-CHWSQXEVSA-N 1 1 294.420 2.132 50 0 CEAAMO OCC1CC[NH+](Cc2nc(-c3ccsc3)no2)CC1 ZINC000046090903 175392894 /nfs/dbraw/zinc/39/28/94/175392894.db2.gz UXAFJMSITWQOIL-UHFFFAOYSA-N 1 1 279.365 2.002 50 0 CEAAMO C[NH+]1CCN(C(=O)CCc2ccccc2Cl)CC1 ZINC000046463123 175396481 /nfs/dbraw/zinc/39/64/81/175396481.db2.gz IHLHJOGTQLWONZ-UHFFFAOYSA-N 1 1 266.772 2.047 50 0 CEAAMO Cc1cnn(C[C@H]2CCC[N@H+]2Cc2cc(C)on2)c1 ZINC000070040128 175868974 /nfs/dbraw/zinc/86/89/74/175868974.db2.gz MIUMOFUHWHWOBM-CQSZACIVSA-N 1 1 260.341 2.153 50 0 CEAAMO Cc1cnn(C[C@H]2CCC[N@@H+]2Cc2cc(C)on2)c1 ZINC000070040128 175868975 /nfs/dbraw/zinc/86/89/75/175868975.db2.gz MIUMOFUHWHWOBM-CQSZACIVSA-N 1 1 260.341 2.153 50 0 CEAAMO CCCC[N@H+]1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000071871663 176283530 /nfs/dbraw/zinc/28/35/30/176283530.db2.gz SYNSIVUFSDEAKH-UHFFFAOYSA-N 1 1 278.400 2.255 50 0 CEAAMO CC(C)(C)NC(=O)[C@@H]1CCCC[N@H+]1CCc1ccncc1 ZINC000071897256 176293050 /nfs/dbraw/zinc/29/30/50/176293050.db2.gz RBBUTQFVIDTQMN-HNNXBMFYSA-N 1 1 289.423 2.393 50 0 CEAAMO CCOC[C@@H](O)C[N@H+]1CC[C@H](c2ccccc2C)C1 ZINC000071904875 176295640 /nfs/dbraw/zinc/29/56/40/176295640.db2.gz GVCBNUFMNWFHMF-GJZGRUSLSA-N 1 1 263.381 2.182 50 0 CEAAMO CC[NH+]1CCN(C(=O)c2cc3occc3c(OC)c2)CC1 ZINC000072240081 176348029 /nfs/dbraw/zinc/34/80/29/176348029.db2.gz WEBLMVPDVXWHSC-UHFFFAOYSA-N 1 1 288.347 2.219 50 0 CEAAMO C[N@@H+]1CCC[C@@H](c2cncc(Br)n2)C1 ZINC000072344030 176372685 /nfs/dbraw/zinc/37/26/85/176372685.db2.gz ULRKQKDTUCUVMG-MRVPVSSYSA-N 1 1 256.147 2.048 50 0 CEAAMO C[N@H+]1CCC[C@@H](c2cncc(Br)n2)C1 ZINC000072344030 176372686 /nfs/dbraw/zinc/37/26/86/176372686.db2.gz ULRKQKDTUCUVMG-MRVPVSSYSA-N 1 1 256.147 2.048 50 0 CEAAMO Cc1cccc(C)c1OCCCC[NH+]1CCNCC1 ZINC000020272335 260117245 /nfs/dbraw/zinc/11/72/45/260117245.db2.gz DMKNASHOWVUWJR-UHFFFAOYSA-N 1 1 262.397 2.368 50 0 CEAAMO COc1ccc(CN2CC[N@H+]3CCC[C@H]3[C@H]2C)cc1O ZINC000039308811 260172532 /nfs/dbraw/zinc/17/25/32/260172532.db2.gz XPFLIMSNUYBZND-OCCSQVGLSA-N 1 1 276.380 2.069 50 0 CEAAMO CC[NH+]1CCN(C(=O)[C@H]2C[C@@]23CCCc2ccccc23)CC1 ZINC000225430405 276192041 /nfs/dbraw/zinc/19/20/41/276192041.db2.gz HCTGSWKKBKDLAK-IEBWSBKVSA-N 1 1 298.430 2.445 50 0 CEAAMO CCC(=O)NC[C@@H](CC)[N@H+]1CCc2ccccc2C1 ZINC000046246664 276204169 /nfs/dbraw/zinc/20/41/69/276204169.db2.gz OSTCFSMWAHYDLI-OAHLLOKOSA-N 1 1 260.381 2.350 50 0 CEAAMO C[N@H+]1CC[C@@H]2CCN(c3ncccc3Cl)[C@@H]2C1 ZINC000272171345 277147767 /nfs/dbraw/zinc/14/77/67/277147767.db2.gz ICSLKSPUQPKHTQ-ZYHUDNBSSA-N 1 1 251.761 2.265 50 0 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Cc1nccn1C[C@H]1CCC[N@@H+](CCCn2cccn2)C1 ZINC000825284195 810716278 /nfs/dbraw/zinc/71/62/78/810716278.db2.gz DZJJGJMTEMTOHZ-INIZCTEOSA-N 1 1 287.411 2.190 50 0 CEAAMO OC1CCN(CC[N@H+]2CC[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000019608149 810741887 /nfs/dbraw/zinc/74/18/87/810741887.db2.gz ZMSQGWOJIQLESZ-OAHLLOKOSA-N 1 1 292.398 2.072 50 0 CEAAMO OC1CC[NH+](CCN2CC[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000019608149 810741896 /nfs/dbraw/zinc/74/18/96/810741896.db2.gz ZMSQGWOJIQLESZ-OAHLLOKOSA-N 1 1 292.398 2.072 50 0 CEAAMO COc1ccc(C[C@H](C)[N@H+]2CCCC[C@@H]2CO)cc1OC ZINC000828710759 810836179 /nfs/dbraw/zinc/83/61/79/810836179.db2.gz BMRNCZZSRCOZTO-DZGCQCFKSA-N 1 1 293.407 2.482 50 0 CEAAMO CCNC(=O)N1CC[C@H](Cc2[nH+]cc(C)n2CC2CC2)C1 ZINC000581805164 811164177 /nfs/dbraw/zinc/16/41/77/811164177.db2.gz BSGGTLKFJKUIKW-CQSZACIVSA-N 1 1 290.411 2.195 50 0 CEAAMO NC(=O)C[N@H+](Cc1cccc(Br)c1)CC1CC1 ZINC000194268102 230396145 /nfs/dbraw/zinc/39/61/45/230396145.db2.gz RKVXUWHHDNGIKE-UHFFFAOYSA-N 1 1 297.196 2.146 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294.370 2.135 50 0 CEAAMO CC(C)(C)n1ccc(C(=O)N2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000219644701 370226699 /nfs/dbraw/zinc/22/66/99/370226699.db2.gz ABQCQYMAKPMWJQ-AWEZNQCLSA-N 1 1 275.396 2.163 50 0 CEAAMO C[C@H](C(=O)NCCc1ccncc1)[N@@H+](C)C1CCCCC1 ZINC000221315071 370239877 /nfs/dbraw/zinc/23/98/77/370239877.db2.gz CIBSCBFIYYROTB-CQSZACIVSA-N 1 1 289.423 2.393 50 0 CEAAMO C/C=C\COC(=O)c1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC000222091193 370249641 /nfs/dbraw/zinc/24/96/41/370249641.db2.gz YMSMCWZSABKOLC-ARJAWSKDSA-N 1 1 292.354 2.310 50 0 CEAAMO Cc1noc([C@]2(O)CC[N@H+](Cc3sccc3Cl)C2)n1 ZINC000225786781 370318174 /nfs/dbraw/zinc/31/81/74/370318174.db2.gz NWHDLVGMTLSJHL-LBPRGKRZSA-N 1 1 299.783 2.186 50 0 CEAAMO Cc1noc([C@]2(O)CC[N@@H+](Cc3sccc3Cl)C2)n1 ZINC000225786781 370318177 /nfs/dbraw/zinc/31/81/77/370318177.db2.gz NWHDLVGMTLSJHL-LBPRGKRZSA-N 1 1 299.783 2.186 50 0 CEAAMO C[C@H]1C[N@@H+](Cc2ccc(-n3cccn3)cc2)[C@@H](C)CO1 ZINC000225175787 370287011 /nfs/dbraw/zinc/28/70/11/370287011.db2.gz 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NC(=O)[C@@H](c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000035294209 172105629 /nfs/dbraw/zinc/10/56/29/172105629.db2.gz LHVYUXVDPFQIRP-MRXNPFEDSA-N 1 1 266.344 2.271 50 0 CEAAMO Cc1cccc(C[N@@H+]2Cc3ccccc3C[C@H]2C(N)=O)c1 ZINC000037187932 173017973 /nfs/dbraw/zinc/01/79/73/173017973.db2.gz SOXZXRNNBMPSOT-KRWDZBQOSA-N 1 1 280.371 2.407 50 0 CEAAMO Cc1cccc(C[N@H+]2Cc3ccccc3C[C@H]2C(N)=O)c1 ZINC000037187932 173017976 /nfs/dbraw/zinc/01/79/76/173017976.db2.gz SOXZXRNNBMPSOT-KRWDZBQOSA-N 1 1 280.371 2.407 50 0 CEAAMO Cc1cc(N(C)C[C@@H]2COc3ccccc3O2)nc(C)[nH+]1 ZINC000040060504 174185774 /nfs/dbraw/zinc/18/57/74/174185774.db2.gz DLICHGPOHIEKTJ-CYBMUJFWSA-N 1 1 285.347 2.370 50 0 CEAAMO C[C@H]1CCCC[N@@H+]1CCS(=O)(=O)c1ccccc1 ZINC000040161499 174196259 /nfs/dbraw/zinc/19/62/59/174196259.db2.gz OMSSUNNZGCPEID-ZDUSSCGKSA-N 1 1 267.394 2.335 50 0 CEAAMO C[C@H]1CCCC[N@H+]1CCS(=O)(=O)c1ccccc1 ZINC000040161499 174196261 /nfs/dbraw/zinc/19/62/61/174196261.db2.gz OMSSUNNZGCPEID-ZDUSSCGKSA-N 1 1 267.394 2.335 50 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ZINC000089936631 364018779 /nfs/dbraw/zinc/01/87/79/364018779.db2.gz UGTMZEZIWGODSA-TXEJJXNPSA-N 1 1 298.818 2.431 50 0 CEAAMO CN(Cc1cc[nH]n1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093337031 364166868 /nfs/dbraw/zinc/16/68/68/364166868.db2.gz SLTKFAHLGHDMTR-MRXNPFEDSA-N 1 1 284.407 2.364 50 0 CEAAMO CCn1nccc1CC[N@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000240912292 370780068 /nfs/dbraw/zinc/78/00/68/370780068.db2.gz IXEGGOLWTUAIEP-CABCVRRESA-N 1 1 263.385 2.089 50 0 CEAAMO C[N@@H+](C[C@H]1CC=CCC1)CC(C)(C)S(C)(=O)=O ZINC000093772471 364225162 /nfs/dbraw/zinc/22/51/62/364225162.db2.gz IMEOTFADLABTTG-LBPRGKRZSA-N 1 1 259.415 2.098 50 0 CEAAMO Fc1cccc(-n2cc(C[N@@H+]3CCc4nc[nH]c4C3)cn2)c1 ZINC000095353592 364343881 /nfs/dbraw/zinc/34/38/81/364343881.db2.gz YLRBORHNRJHBMO-UHFFFAOYSA-N 1 1 297.337 2.293 50 0 CEAAMO Fc1cccc(-n2cc(C[N@H+]3CCc4nc[nH]c4C3)cn2)c1 ZINC000095353592 364343886 /nfs/dbraw/zinc/34/38/86/364343886.db2.gz YLRBORHNRJHBMO-UHFFFAOYSA-N 1 1 297.337 2.293 50 0 CEAAMO Cc1noc(C)c1CN(C)C(=O)CC[C@H]1CCC[N@@H+](C)C1 ZINC000095382755 364353116 /nfs/dbraw/zinc/35/31/16/364353116.db2.gz ZNTYYBGPQPZTGN-CQSZACIVSA-N 1 1 293.411 2.372 50 0 CEAAMO C[C@@H](CCSc1ccccc1)[N@H+]1CCNC(=O)CC1 ZINC000095428289 364372835 /nfs/dbraw/zinc/37/28/35/364372835.db2.gz GIOPGYMRSCOAPS-ZDUSSCGKSA-N 1 1 278.421 2.379 50 0 CEAAMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Nc1cccnn1 ZINC000095987455 364396713 /nfs/dbraw/zinc/39/67/13/364396713.db2.gz VEQJLGRKPQDAHP-CYBMUJFWSA-N 1 1 299.378 2.119 50 0 CEAAMO CC(C)c1cc(N2CC[C@]3(CC[N@@H+](C)C3)C2)ncn1 ZINC000095362233 364346654 /nfs/dbraw/zinc/34/66/54/364346654.db2.gz QMTAVYDHSQCVEH-HNNXBMFYSA-N 1 1 260.385 2.132 50 0 CEAAMO COCc1noc([C@@H](C)[NH2+][C@@H]2CC(C)(C)OC2(C)C)n1 ZINC000097103309 364450989 /nfs/dbraw/zinc/45/09/89/364450989.db2.gz ZFMJJLIUOZPFDO-NXEZZACHSA-N 1 1 283.372 2.213 50 0 CEAAMO CC[C@@](C)(O)C[N@@H+](C)CCOc1cccc(F)c1 ZINC000097102859 364451103 /nfs/dbraw/zinc/45/11/03/364451103.db2.gz KZJGAKOFHFJALX-CQSZACIVSA-N 1 1 255.333 2.297 50 0 CEAAMO COCc1noc([C@H](C)[NH2+][C@H]2CC(C)(C)OC2(C)C)n1 ZINC000097103310 364451116 /nfs/dbraw/zinc/45/11/16/364451116.db2.gz ZFMJJLIUOZPFDO-UWVGGRQHSA-N 1 1 283.372 2.213 50 0 CEAAMO Cc1ccc(C[NH2+][C@@H]2CCCN(c3cccnc3)C2=O)o1 ZINC000097106936 364452623 /nfs/dbraw/zinc/45/26/23/364452623.db2.gz SKLHFEKPKYVKRB-OAHLLOKOSA-N 1 1 285.347 2.268 50 0 CEAAMO COC(=O)C[N@@H+](C[C@@H]1CCCC[C@@H]1C)C1CCOCC1 ZINC000097108484 364453511 /nfs/dbraw/zinc/45/35/11/364453511.db2.gz CSBTXNVNVKENSW-KBPBESRZSA-N 1 1 283.412 2.467 50 0 CEAAMO Cc1[nH]ncc1C[NH2+]C[C@H]1COc2ccccc2C1 ZINC000097159462 364466899 /nfs/dbraw/zinc/46/68/99/364466899.db2.gz ZCFYFSQNGSXKJW-LBPRGKRZSA-N 1 1 257.337 2.059 50 0 CEAAMO C[N@@H+](Cc1cccc(C(=O)[O-])c1)C[C@]1(C)CC[NH+](C)C1 ZINC000097217363 364480666 /nfs/dbraw/zinc/48/06/66/364480666.db2.gz OTPLKMGDZBMDRL-MRXNPFEDSA-N 1 1 276.380 2.158 50 0 CEAAMO C[NH+](Cc1cccc(C(=O)[O-])c1)C[C@]1(C)CC[N@H+](C)C1 ZINC000097217363 364480670 /nfs/dbraw/zinc/48/06/70/364480670.db2.gz OTPLKMGDZBMDRL-MRXNPFEDSA-N 1 1 276.380 2.158 50 0 CEAAMO C[NH+](Cc1cccc(C(=O)[O-])c1)C[C@]1(C)CC[N@@H+](C)C1 ZINC000097217363 364480673 /nfs/dbraw/zinc/48/06/73/364480673.db2.gz OTPLKMGDZBMDRL-MRXNPFEDSA-N 1 1 276.380 2.158 50 0 CEAAMO C[N@@H+](CCSc1c[nH]nn1)Cc1ccc(F)cc1 ZINC000097377171 364496907 /nfs/dbraw/zinc/49/69/07/364496907.db2.gz QMRVSJNVAHGKOB-UHFFFAOYSA-N 1 1 266.345 2.168 50 0 CEAAMO C[N@H+](CCSc1cn[nH]n1)Cc1ccc(F)cc1 ZINC000097377171 364496914 /nfs/dbraw/zinc/49/69/14/364496914.db2.gz QMRVSJNVAHGKOB-UHFFFAOYSA-N 1 1 266.345 2.168 50 0 CEAAMO C[N@@H+](CCSc1cn[nH]n1)Cc1ccc(F)cc1 ZINC000097377171 364496920 /nfs/dbraw/zinc/49/69/20/364496920.db2.gz QMRVSJNVAHGKOB-UHFFFAOYSA-N 1 1 266.345 2.168 50 0 CEAAMO C[C@@H](C[S@](C)=O)[N@@H+](C)Cc1ccc(-n2cccn2)cc1 ZINC000097139544 364461616 /nfs/dbraw/zinc/46/16/16/364461616.db2.gz NSDDVHURWMHASF-RNODOKPDSA-N 1 1 291.420 2.071 50 0 CEAAMO CC(=O)N1CC[N@@H+](C[C@H]2CC=CCC2)C(C)(C)C1 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ZINC000243900915 370790479 /nfs/dbraw/zinc/79/04/79/370790479.db2.gz AXNKXUMIUQJJHO-AWEZNQCLSA-N 1 1 282.453 2.335 50 0 CEAAMO CO[C@H]1CC[N@H+](Cc2nnc(-c3cccc(F)c3)o2)C1 ZINC000244594066 370792534 /nfs/dbraw/zinc/79/25/34/370792534.db2.gz DFTFOOCABHVMNX-LBPRGKRZSA-N 1 1 277.299 2.096 50 0 CEAAMO CO[C@H]1CC[N@@H+](Cc2nnc(-c3cccc(F)c3)o2)C1 ZINC000244594066 370792539 /nfs/dbraw/zinc/79/25/39/370792539.db2.gz DFTFOOCABHVMNX-LBPRGKRZSA-N 1 1 277.299 2.096 50 0 CEAAMO Cc1ncsc1CCN(C)CC[N@H+]1C[C@H]2CC[C@@H]1C2 ZINC000244691923 370794109 /nfs/dbraw/zinc/79/41/09/370794109.db2.gz JLJVYTDZDYUHPJ-UONOGXRCSA-N 1 1 279.453 2.410 50 0 CEAAMO CCCNC(=O)C[N@H+]1C[C@H](c2ccsc2)C[C@H]1C ZINC000242389486 370786271 /nfs/dbraw/zinc/78/62/71/370786271.db2.gz ZXOFJRLUTDFWKL-DGCLKSJQSA-N 1 1 266.410 2.452 50 0 CEAAMO CNC(=O)C[C@@H](C)[N@@H+](C)Cc1nc2c(ccc(C)c2C)[nH]1 ZINC000244788044 370799372 /nfs/dbraw/zinc/79/93/72/370799372.db2.gz QIFNJYXFDTXDCI-LLVKDONJSA-N 1 1 288.395 2.136 50 0 CEAAMO CNC(=O)C[C@@H](C)[N@H+](C)Cc1nc2ccc(C)c(C)c2[nH]1 ZINC000244788044 370799383 /nfs/dbraw/zinc/79/93/83/370799383.db2.gz QIFNJYXFDTXDCI-LLVKDONJSA-N 1 1 288.395 2.136 50 0 CEAAMO CNC(=O)C[C@@H](C)[N@@H+](C)Cc1nc2ccc(C)c(C)c2[nH]1 ZINC000244788044 370799386 /nfs/dbraw/zinc/79/93/86/370799386.db2.gz QIFNJYXFDTXDCI-LLVKDONJSA-N 1 1 288.395 2.136 50 0 CEAAMO CSc1ccc2c(c1)CC[N@@H+](CCN1CCCC1=O)C2 ZINC000244811788 370801217 /nfs/dbraw/zinc/80/12/17/370801217.db2.gz SLGJGDUOTKXPBR-UHFFFAOYSA-N 1 1 290.432 2.389 50 0 CEAAMO CSc1ccc2c(c1)CC[N@H+](CCN1CCCC1=O)C2 ZINC000244811788 370801220 /nfs/dbraw/zinc/80/12/20/370801220.db2.gz SLGJGDUOTKXPBR-UHFFFAOYSA-N 1 1 290.432 2.389 50 0 CEAAMO OCC[N@H+](Cc1ccccc1)C[C@H]1CC[C@H](O)CC1 ZINC000244723631 370795677 /nfs/dbraw/zinc/79/56/77/370795677.db2.gz MERVZLCLLHVYBL-WKILWMFISA-N 1 1 263.381 2.032 50 0 CEAAMO C[C@H]1CCC[C@@H](CO)[N@@H+]1CCCN1CCCCC1 ZINC000161963966 367126966 /nfs/dbraw/zinc/12/69/66/367126966.db2.gz XLSNWSFTAMBRKN-GJZGRUSLSA-N 1 1 254.418 2.098 50 0 CEAAMO C[C@H]1CCC[C@@H](CO)[N@H+]1CCCN1CCCCC1 ZINC000161963966 367126971 /nfs/dbraw/zinc/12/69/71/367126971.db2.gz XLSNWSFTAMBRKN-GJZGRUSLSA-N 1 1 254.418 2.098 50 0 CEAAMO Cc1cc2c(cc1NC(=O)[C@@H]1CCCC[N@H+]1C)OCO2 ZINC000585130751 367182377 /nfs/dbraw/zinc/18/23/77/367182377.db2.gz BAKNVOPOJWIJCO-LBPRGKRZSA-N 1 1 276.336 2.147 50 0 CEAAMO Cc1cc2c(cc1NC(=O)[C@@H]1CCCC[N@@H+]1C)OCO2 ZINC000585130751 367182387 /nfs/dbraw/zinc/18/23/87/367182387.db2.gz BAKNVOPOJWIJCO-LBPRGKRZSA-N 1 1 276.336 2.147 50 0 CEAAMO Cc1[nH+]ccn1Cc1nc([C@@H](C)OCC(C)C)no1 ZINC000174113812 367986284 /nfs/dbraw/zinc/98/62/84/367986284.db2.gz FPSIMMDXQQVSBH-SNVBAGLBSA-N 1 1 264.329 2.356 50 0 CEAAMO COC(=O)c1cc(C[N@@H+](C)C[C@H]2CC[C@H](C)O2)oc1C ZINC000190295803 369611429 /nfs/dbraw/zinc/61/14/29/369611429.db2.gz GJOAFRWXIOYELD-CMPLNLGQSA-N 1 1 281.352 2.374 50 0 CEAAMO CCc1n[nH]c(C2CC[NH+]([C@H](C)c3cnccn3)CC2)n1 ZINC000190712801 369648118 /nfs/dbraw/zinc/64/81/18/369648118.db2.gz 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C[C@@H]1C[N@@H+](C)CCN1C(=O)/C=C/c1cccc(F)c1 ZINC000089937739 364018509 /nfs/dbraw/zinc/01/85/09/364018509.db2.gz QRRHLEIKJJICSG-NNNHXZLVSA-N 1 1 262.328 2.001 50 0 CEAAMO C[C@@H]1C[N@@H+](C)CCN1Cc1cc(-c2ccccc2)no1 ZINC000089939266 364019873 /nfs/dbraw/zinc/01/98/73/364019873.db2.gz VEAXHFUFRWNCBB-CYBMUJFWSA-N 1 1 271.364 2.478 50 0 CEAAMO CCC[C@H](C(=O)NC[C@H](c1cccs1)N(C)C)[NH+](C)C ZINC000089949412 364021616 /nfs/dbraw/zinc/02/16/16/364021616.db2.gz YCXFLUOWONNCGY-CHWSQXEVSA-N 1 1 297.468 2.197 50 0 CEAAMO CCn1cc(C[N@@H+](C)C2CCC(OC)CC2)cn1 ZINC000093414885 364177014 /nfs/dbraw/zinc/17/70/14/364177014.db2.gz GXBNWCMBXDVUNC-UHFFFAOYSA-N 1 1 251.374 2.292 50 0 CEAAMO CSCC[N@@H+](C)Cc1ccc(-n2cncn2)c(C)c1 ZINC000093509400 364195814 /nfs/dbraw/zinc/19/58/14/364195814.db2.gz ROHIZYOMNAFGEP-UHFFFAOYSA-N 1 1 276.409 2.371 50 0 CEAAMO C[C@H]1CN(C(=O)C[N@H+]2CCC[C@H]2c2cccs2)CCO1 ZINC000239352112 370776208 /nfs/dbraw/zinc/77/62/08/370776208.db2.gz ABCBPPKNGGYMQM-STQMWFEESA-N 1 1 294.420 2.132 50 0 CEAAMO C[C@H]1C[N@@H+](CCn2cnc3ccccc32)CCCO1 ZINC000240825216 370779790 /nfs/dbraw/zinc/77/97/90/370779790.db2.gz QOCOSQSYDBCKBF-ZDUSSCGKSA-N 1 1 259.353 2.147 50 0 CEAAMO CCc1cnc(N)nc1N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000095354080 364343681 /nfs/dbraw/zinc/34/36/81/364343681.db2.gz CAKHKJDHQHRPBO-HNNXBMFYSA-N 1 1 297.406 2.308 50 0 CEAAMO C[N@H+]1CCCCC[C@H]1C(=O)NCCCc1ccco1 ZINC000095358983 364345144 /nfs/dbraw/zinc/34/51/44/364345144.db2.gz SGYVZUOURZSRQJ-AWEZNQCLSA-N 1 1 264.369 2.203 50 0 CEAAMO CC(C)[N@H+]1CC[C@@H](Cn2ccc3ncccc3c2=O)C1 ZINC000095374974 364351064 /nfs/dbraw/zinc/35/10/64/364351064.db2.gz CSXCNIZVHVFPHC-CYBMUJFWSA-N 1 1 271.364 2.127 50 0 CEAAMO Cc1cccc(OC2CC[NH+](Cc3ccnn3C)CC2)n1 ZINC000097082888 364442179 /nfs/dbraw/zinc/44/21/79/364442179.db2.gz BCEAZXWVBIPXLN-UHFFFAOYSA-N 1 1 286.379 2.167 50 0 CEAAMO C[C@@H](O)CC[N@@H+](C)Cc1cc(Cl)cc2c1OCC2 ZINC000097084423 364443627 /nfs/dbraw/zinc/44/36/27/364443627.db2.gz HFLRSMUDPGHTRV-SNVBAGLBSA-N 1 1 269.772 2.478 50 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/nfs/dbraw/zinc/51/52/48/364515248.db2.gz NZMOUOQZEMTJNN-UHFFFAOYSA-N 1 1 281.421 2.385 50 0 CEAAMO CC[C@H]1CN(C(=O)c2cc(OC)ccn2)CC[N@H+]1C(C)C ZINC000244626749 370793063 /nfs/dbraw/zinc/79/30/63/370793063.db2.gz FRXJOMONSZBCGT-ZDUSSCGKSA-N 1 1 291.395 2.035 50 0 CEAAMO Clc1ccccc1[C@H]1CC[N@@H+](CCCn2cnnn2)C1 ZINC000244795069 370799703 /nfs/dbraw/zinc/79/97/03/370799703.db2.gz QYWXJOGUSYLPEH-LBPRGKRZSA-N 1 1 291.786 2.206 50 0 CEAAMO Cc1ccc(C[N@@H+](C)C[C@@H]2Cc3c(nc(C)nc3C)O2)o1 ZINC000244842355 370801397 /nfs/dbraw/zinc/80/13/97/370801397.db2.gz UPEHPBCXRLJRFN-AWEZNQCLSA-N 1 1 287.363 2.430 50 0 CEAAMO C[N@@H+](CCCc1cccnc1)Cc1[nH]nc2c1CCC2 ZINC000244828547 370801679 /nfs/dbraw/zinc/80/16/79/370801679.db2.gz TYEWEWPVQPEKSK-UHFFFAOYSA-N 1 1 270.380 2.358 50 0 CEAAMO O[C@@]1(c2ccccc2)CC[N@H+](C2CCSCC2)C1 ZINC000244718748 370795551 /nfs/dbraw/zinc/79/55/51/370795551.db2.gz LQEHYBSZFDFTOV-HNNXBMFYSA-N 1 1 263.406 2.476 50 0 CEAAMO C[N@@H+](CCc1ccccc1)CC(=O)N1CCCSCC1 ZINC000585121557 367180582 /nfs/dbraw/zinc/18/05/82/367180582.db2.gz SAUDVMXIFZYNOF-UHFFFAOYSA-N 1 1 292.448 2.126 50 0 CEAAMO CC(C)CCO[C@H]1CCN(c2nc(N(C)C)cc[nH+]2)C1 ZINC000170049559 367374039 /nfs/dbraw/zinc/37/40/39/367374039.db2.gz QSWJBISVBFSYAM-ZDUSSCGKSA-N 1 1 278.400 2.184 50 0 CEAAMO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)[C@H]1CC=CCC1 ZINC000071883382 284195895 /nfs/dbraw/zinc/19/58/95/284195895.db2.gz KFMINFJNKYETFY-KBPBESRZSA-N 1 1 262.397 2.476 50 0 CEAAMO CCc1nccc(C[N@@H+](C)CCc2c(C)n[nH]c2C)n1 ZINC000216194094 370184161 /nfs/dbraw/zinc/18/41/61/370184161.db2.gz OIPLIXYSDKVKLU-UHFFFAOYSA-N 1 1 273.384 2.053 50 0 CEAAMO CCOCC[C@H](O)C[N@@H+](C)CCCOc1ccccc1C ZINC000225500455 370299822 /nfs/dbraw/zinc/29/98/22/370299822.db2.gz ZJXMDOPQROOORV-INIZCTEOSA-N 1 1 295.423 2.483 50 0 CEAAMO CC(C)(C)SCC[N@H+]1CCOC2(CCOCC2)C1 ZINC000225747991 370315830 /nfs/dbraw/zinc/31/58/30/370315830.db2.gz MPMJSQHZGBGJCA-UHFFFAOYSA-N 1 1 273.442 2.400 50 0 CEAAMO COc1ccccc1OC1CN(C[C@H]2CC[C@@H]([NH3+])CC2)C1 ZINC000248137649 371163308 /nfs/dbraw/zinc/16/33/08/371163308.db2.gz PDHCPXPYYRJMDY-OKILXGFUSA-N 1 1 290.407 2.276 50 0 CEAAMO C[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)CCc1ccco1 ZINC000248137176 371163530 /nfs/dbraw/zinc/16/35/30/371163530.db2.gz PDQDOGZSYQSORX-LSDHHAIUSA-N 1 1 276.380 2.297 50 0 CEAAMO c1cncc(O[C@@H]2CC[N@H+](CCO[C@H]3CCCCO3)C2)c1 ZINC000248618678 371223634 /nfs/dbraw/zinc/22/36/34/371223634.db2.gz ZQYSIHOAZBQYJK-CVEARBPZSA-N 1 1 292.379 2.078 50 0 CEAAMO CCO[C@H](C)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000248852149 371255386 /nfs/dbraw/zinc/25/53/86/371255386.db2.gz OWVSPAZGMBQDJD-FMKPAKJESA-N 1 1 290.407 2.048 50 0 CEAAMO CC[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)c1cccnc1 ZINC000249700189 371354042 /nfs/dbraw/zinc/35/40/42/371354042.db2.gz XKFMAMYTBLIMNW-LSDHHAIUSA-N 1 1 273.380 2.171 50 0 CEAAMO CC(C)N1CCC([NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)CC1 ZINC000250507559 371385330 /nfs/dbraw/zinc/38/53/30/371385330.db2.gz NRYTZJUEAQUQQK-RBSFLKMASA-N 1 1 266.429 2.262 50 0 CEAAMO CN1C[C@]2(CCC[N@@H+](CCCc3ccco3)C2)OC1=O ZINC000252499132 371447421 /nfs/dbraw/zinc/44/74/21/371447421.db2.gz RVWOCQQPYBRFLP-HNNXBMFYSA-N 1 1 278.352 2.129 50 0 CEAAMO C[N@H+]1CCCCC[C@@H]1C(=O)NCc1cc(C(C)(C)C)n[nH]1 ZINC000252500808 371448406 /nfs/dbraw/zinc/44/84/06/371448406.db2.gz TVRRWLBBTPWWNE-CYBMUJFWSA-N 1 1 292.427 2.198 50 0 CEAAMO COc1ccc([C@H](CN(C)C)[NH2+]Cc2cccnc2)cc1 ZINC000253416592 371517994 /nfs/dbraw/zinc/51/79/94/371517994.db2.gz VHPKEZZKVAPGGI-KRWDZBQOSA-N 1 1 285.391 2.483 50 0 CEAAMO Cc1nn(C(C)C)cc1C[N@@H+]1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000253432178 371523198 /nfs/dbraw/zinc/52/31/98/371523198.db2.gz WYYMOTPRAPIZJS-XJKSGUPXSA-N 1 1 293.411 2.152 50 0 CEAAMO Cc1nn(C(C)C)cc1C[N@H+]1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000253432178 371523203 /nfs/dbraw/zinc/52/32/03/371523203.db2.gz WYYMOTPRAPIZJS-XJKSGUPXSA-N 1 1 293.411 2.152 50 0 CEAAMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C2(O)CCCCC2)C1 ZINC000390835211 375314210 /nfs/dbraw/zinc/31/42/10/375314210.db2.gz GRKBQEVCJMSXLO-HNNXBMFYSA-N 1 1 296.455 2.166 50 0 CEAAMO CN(C[C@@H]1CC[N@@H+](C)C1)c1cnc2ccccc2n1 ZINC000264121474 190091845 /nfs/dbraw/zinc/09/18/45/190091845.db2.gz OAXKGGTZPROHTQ-GFCCVEGCSA-N 1 1 256.353 2.018 50 0 CEAAMO C[N@H+]1CC[C@@H]2OCCN(CCc3ccccc3Cl)[C@H]2C1 ZINC000328590964 376854286 /nfs/dbraw/zinc/85/42/86/376854286.db2.gz RISSYFBBRGOONQ-HOTGVXAUSA-N 1 1 294.826 2.287 50 0 CEAAMO Cc1noc(C)c1CC[N@H+]1CC[C@H](Oc2ccccn2)C1 ZINC000328599561 376857016 /nfs/dbraw/zinc/85/70/16/376857016.db2.gz CDXLMPVCLVPUNW-AWEZNQCLSA-N 1 1 287.363 2.382 50 0 CEAAMO c1ccc2c(CN3[C@@H]4CC[C@H]3[C@H]3C[NH2+]C[C@H]34)ccnc2c1 ZINC000426361114 377397451 /nfs/dbraw/zinc/39/74/51/377397451.db2.gz BECRXUCUYGAFEV-LVYXFOGZSA-N 1 1 279.387 2.417 50 0 CEAAMO Cc1ccc(C)c(CNc2cc([C@@H]3CCOC3)[nH+]c(N)n2)c1 ZINC000426409143 377405419 /nfs/dbraw/zinc/40/54/19/377405419.db2.gz BFDOBKJACHVGOH-CYBMUJFWSA-N 1 1 298.390 2.044 50 0 CEAAMO CCOc1ccc(-c2cccc(C[NH+]3CCOCC3)c2)nn1 ZINC000426518940 377415841 /nfs/dbraw/zinc/41/58/41/377415841.db2.gz JOLAVUPQFYWYGR-UHFFFAOYSA-N 1 1 299.374 2.375 50 0 CEAAMO CN(C(=O)Nc1ccnn1-c1ccccc1)[C@@H]1CC[N@@H+](C)C1 ZINC000299778399 379134942 /nfs/dbraw/zinc/13/49/42/379134942.db2.gz MOESWRMUWHACTF-CQSZACIVSA-N 1 1 299.378 2.040 50 0 CEAAMO CC(C)Oc1ccc(Cc2c[nH+]c(N)nc2N)cc1 ZINC000000345999 169612823 /nfs/dbraw/zinc/61/28/23/169612823.db2.gz QELIXOYLEJDYGT-UHFFFAOYSA-N 1 1 258.325 2.019 50 0 CEAAMO O=C([O-])c1ccc(C[C@H]2CC[N@H+](C3CC[NH2+]CC3)C2)cc1 ZINC000072409627 304244394 /nfs/dbraw/zinc/24/43/94/304244394.db2.gz LNDATISLUCLXJQ-CQSZACIVSA-N 1 1 288.391 2.001 50 0 CEAAMO O=C(C[N@@H+]1CCC[C@H]1c1ccsc1)NC[C@H]1CCCO1 ZINC000247769254 131106217 /nfs/dbraw/zinc/10/62/17/131106217.db2.gz NAKIUCUQXAMMLJ-KGLIPLIRSA-N 1 1 294.420 2.180 50 0 CEAAMO O=C(C[N@H+]1CCC[C@H]1c1ccsc1)NC[C@H]1CCCO1 ZINC000247769254 131106219 /nfs/dbraw/zinc/10/62/19/131106219.db2.gz NAKIUCUQXAMMLJ-KGLIPLIRSA-N 1 1 294.420 2.180 50 0 CEAAMO C[N@@H+](CC(=O)NC1CC1)[C@H]1CCCc2ccccc21 ZINC000015261637 394466287 /nfs/dbraw/zinc/46/62/87/394466287.db2.gz DJMZMEQSWGBNEM-HNNXBMFYSA-N 1 1 258.365 2.274 50 0 CEAAMO C[NH+](C)[C@@H](CNC(=O)CC(C)(C)C)c1ccco1 ZINC000048411127 394516338 /nfs/dbraw/zinc/51/63/38/394516338.db2.gz RWDNPZMXINTUHK-NSHDSACASA-N 1 1 252.358 2.435 50 0 CEAAMO Nc1[nH]nc2nc([C@@H]3CCCC[NH2+]3)cc(C(F)(F)F)c12 ZINC000072343464 394598576 /nfs/dbraw/zinc/59/85/76/394598576.db2.gz ROHRMNCLHXDFRP-ZETCQYMHSA-N 1 1 285.273 2.374 50 0 CEAAMO c1cncc(-c2n[nH]c(SCC[NH+]3CCCCC3)n2)c1 ZINC000076697431 394618037 /nfs/dbraw/zinc/61/80/37/394618037.db2.gz HBPZNMBWRMKBSI-UHFFFAOYSA-N 1 1 289.408 2.445 50 0 CEAAMO COC(=O)CCC[N@@H+]1C[C@H](c2ccccc2)OC[C@H]1C ZINC000096407726 394681643 /nfs/dbraw/zinc/68/16/43/394681643.db2.gz PCSKNSGMUNFNEW-UKRRQHHQSA-N 1 1 277.364 2.402 50 0 CEAAMO COC(=O)CCC[N@H+]1C[C@H](c2ccccc2)OC[C@H]1C ZINC000096407726 394681649 /nfs/dbraw/zinc/68/16/49/394681649.db2.gz PCSKNSGMUNFNEW-UKRRQHHQSA-N 1 1 277.364 2.402 50 0 CEAAMO C[N@H+](CC(=O)N[C@@H]1CC=CCC1)Cc1ccccc1 ZINC000096412787 394683696 /nfs/dbraw/zinc/68/36/96/394683696.db2.gz MUKPGBCICITOMI-OAHLLOKOSA-N 1 1 258.365 2.343 50 0 CEAAMO C[N@@H+](CC(=O)N[C@@H]1CC=CCC1)Cc1ccccc1 ZINC000096412787 394683702 /nfs/dbraw/zinc/68/37/02/394683702.db2.gz MUKPGBCICITOMI-OAHLLOKOSA-N 1 1 258.365 2.343 50 0 CEAAMO Cc1cccc(NC(=O)C[N@H+]2CC[C@]3(CCOC3)C2)c1 ZINC000153579379 395011276 /nfs/dbraw/zinc/01/12/76/395011276.db2.gz GVJCYMGYNAGUPL-INIZCTEOSA-N 1 1 274.364 2.046 50 0 CEAAMO CC[C@]1(C)COCC[N@H+]1C[C@@H](O)c1ccc(F)cc1 ZINC000408513690 395301269 /nfs/dbraw/zinc/30/12/69/395301269.db2.gz HCBVFGXGOSOXDO-HUUCEWRRSA-N 1 1 267.344 2.360 50 0 CEAAMO CC[C@H](C(=O)[O-])[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000191431192 395358351 /nfs/dbraw/zinc/35/83/51/395358351.db2.gz COQVFJMOJAZHTB-HUUCEWRRSA-N 1 1 282.428 2.438 50 0 CEAAMO CC(=O)N[C@H]1CCC[N@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC000194201918 395429042 /nfs/dbraw/zinc/42/90/42/395429042.db2.gz YFODXAJMAGCNJM-NHYWBVRUSA-N 1 1 264.344 2.487 50 0 CEAAMO Cc1cncc(CC[N@H+]2CCC[C@@H](c3ccnc(C)n3)C2)n1 ZINC000649490329 396167971 /nfs/dbraw/zinc/16/79/71/396167971.db2.gz AIFWRUMSABOALE-OAHLLOKOSA-N 1 1 297.406 2.306 50 0 CEAAMO Cc1ccc(NC(=O)N2CC[NH+](C3CC3)CC2)cc1 ZINC000049396486 400231559 /nfs/dbraw/zinc/23/15/59/400231559.db2.gz XDARRYVWHCYOIR-UHFFFAOYSA-N 1 1 259.353 2.307 50 0 CEAAMO COCCN1CC[C@H](C[NH2+][C@@H]2CC[C@H](C)[C@H](C)C2)C1 ZINC000108476851 400268652 /nfs/dbraw/zinc/26/86/52/400268652.db2.gz RWOYFWYYKMTVCR-ZJIFWQFVSA-N 1 1 268.445 2.369 50 0 CEAAMO CS(=O)(=O)CC[N@H+]1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000328587046 400343265 /nfs/dbraw/zinc/34/32/65/400343265.db2.gz HRRHXWUSMCPYMP-CYBMUJFWSA-N 1 1 299.411 2.440 50 0 CEAAMO CCC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000004842653 170028995 /nfs/dbraw/zinc/02/89/95/170028995.db2.gz YYPSWTHBGMAHKT-UHFFFAOYSA-N 1 1 281.787 2.440 50 0 CEAAMO C[N@@H+](CCO)CCOCCOc1cccc2ccccc21 ZINC000005699999 170130496 /nfs/dbraw/zinc/13/04/96/170130496.db2.gz RTKIKFKAHJNQDP-UHFFFAOYSA-N 1 1 289.375 2.159 50 0 CEAAMO O=C(C[NH2+]Cc1ccco1)NC12CC3CC(CC(C3)C1)C2 ZINC000006047810 170171896 /nfs/dbraw/zinc/17/18/96/170171896.db2.gz BSNKBOLNGSHGJW-UHFFFAOYSA-N 1 1 288.391 2.454 50 0 CEAAMO O=C1c2cc(Cl)ccc2N(CC[NH+]2CCCCC2)C1=O ZINC000006759534 170241270 /nfs/dbraw/zinc/24/12/70/170241270.db2.gz TVEBGGPJICWUOD-UHFFFAOYSA-N 1 1 292.766 2.355 50 0 CEAAMO O=C(C[NH+]1CCCC1)Nc1ccnn1C1CCCC1 ZINC000007340176 170278094 /nfs/dbraw/zinc/27/80/94/170278094.db2.gz BKLSPOMCCGWXEE-UHFFFAOYSA-N 1 1 262.357 2.033 50 0 CEAAMO C[C@H](C(=O)Nc1sccc1C(N)=O)[NH+]1CCCCCC1 ZINC000008119226 170319486 /nfs/dbraw/zinc/31/94/86/170319486.db2.gz UXJKSCAOOONLPC-SNVBAGLBSA-N 1 1 295.408 2.050 50 0 CEAAMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccco1 ZINC000009047734 170361997 /nfs/dbraw/zinc/36/19/97/170361997.db2.gz BFNLKYWGZFTARX-LBPRGKRZSA-N 1 1 274.320 2.440 50 0 CEAAMO Cc1cc(OCC(=O)N2CC[NH+](C)CC2)cc(C)c1Cl ZINC000019791410 170868082 /nfs/dbraw/zinc/86/80/82/170868082.db2.gz HOKGDQOSCRRTTL-UHFFFAOYSA-N 1 1 296.798 2.110 50 0 CEAAMO OC(C[NH+]1CCOCC1)(c1ccccc1)c1ccccc1 ZINC000020365973 171164644 /nfs/dbraw/zinc/16/46/44/171164644.db2.gz GJPBYSGBLBBADJ-UHFFFAOYSA-N 1 1 283.371 2.255 50 0 CEAAMO COc1ccc(CC(=O)N(C)C[C@@H]2CCCC[N@H+]2C)cc1 ZINC000020390389 171179246 /nfs/dbraw/zinc/17/92/46/171179246.db2.gz OYWRYTUXTQFIPT-HNNXBMFYSA-N 1 1 290.407 2.180 50 0 CEAAMO CS/C(=C\[N+](=O)[O-])N1CC[NH+](Cc2ccccc2)CC1 ZINC000020404763 171182155 /nfs/dbraw/zinc/18/21/55/171182155.db2.gz KXMSZOQEHNSQFX-OWBHPGMISA-N 1 1 293.392 2.243 50 0 CEAAMO COc1cccc(C(=O)N(C)C[C@H]2CCCC[N@H+]2C)c1 ZINC000020568641 171255119 /nfs/dbraw/zinc/25/51/19/171255119.db2.gz OWMVHMGBMHIMMN-CQSZACIVSA-N 1 1 276.380 2.252 50 0 CEAAMO CC[C@H](C)Oc1cccc(OCCN2CCN(C)CC2)c1 ZINC000020639749 171269042 /nfs/dbraw/zinc/26/90/42/171269042.db2.gz REIFQNWEKTVAPJ-HNNXBMFYSA-N 1 1 292.423 2.490 50 0 CEAAMO CC[C@H](C)Oc1cccc(OCC[NH+]2CCN(C)CC2)c1 ZINC000020639749 171269043 /nfs/dbraw/zinc/26/90/43/171269043.db2.gz REIFQNWEKTVAPJ-HNNXBMFYSA-N 1 1 292.423 2.490 50 0 CEAAMO CC1CC[NH+]([C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1 ZINC000021966655 171344000 /nfs/dbraw/zinc/34/40/00/171344000.db2.gz FIXLEFCUUAFOBU-AWEZNQCLSA-N 1 1 290.338 2.190 50 0 CEAAMO CC[NH+]1CCN(CC(=O)c2ccc(Cl)s2)CC1 ZINC000022037310 171350112 /nfs/dbraw/zinc/35/01/12/171350112.db2.gz WNGNUSFBNAIFAC-UHFFFAOYSA-N 1 1 272.801 2.222 50 0 CEAAMO C[N@@H+]1C[C@H]2CN(c3ccc(-c4ccccc4)nn3)C[C@H]2C1 ZINC000038332063 174139262 /nfs/dbraw/zinc/13/92/62/174139262.db2.gz GTMRUYCIJSNXGB-GASCZTMLSA-N 1 1 280.375 2.141 50 0 in-vitro CEAAMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2c(C)noc2C)C1 ZINC000040460794 174270223 /nfs/dbraw/zinc/27/02/23/174270223.db2.gz DRILAZJXNGALNH-GFCCVEGCSA-N 1 1 266.341 2.067 50 0 CEAAMO Cc1ccc(C(=O)NC[C@H](c2ccco2)[NH+](C)C)cn1 ZINC000040487997 174290153 /nfs/dbraw/zinc/29/01/53/174290153.db2.gz FFVLKVPBPMYGRK-CYBMUJFWSA-N 1 1 273.336 2.016 50 0 CEAAMO COCC[N@@H+](C)CCCNC(=O)Nc1ccccc1C ZINC000040525314 174313102 /nfs/dbraw/zinc/31/31/02/174313102.db2.gz DYTDJVNGPJUBRL-UHFFFAOYSA-N 1 1 279.384 2.085 50 0 CEAAMO COc1cc(-c2ccccc2)ccc1C[NH2+][C@H](C)C(N)=O ZINC000119554835 414781975 /nfs/dbraw/zinc/78/19/75/414781975.db2.gz NYULJDJKSOMWNU-GFCCVEGCSA-N 1 1 284.359 2.326 50 0 CEAAMO Cc1cc(NC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)n(C)n1 ZINC000043435837 175044963 /nfs/dbraw/zinc/04/49/63/175044963.db2.gz KESVKAKEEONEGL-ZDUSSCGKSA-N 1 1 293.415 2.115 50 0 CEAAMO Cc1cc(N)n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000043664708 175086112 /nfs/dbraw/zinc/08/61/12/175086112.db2.gz DFSAHSZVUSPRRV-CQSZACIVSA-N 1 1 256.353 2.221 50 0 CEAAMO C[N@@H+](CCC(=O)NC1CC1)Cc1ccc(F)cc1F ZINC000045748550 175383131 /nfs/dbraw/zinc/38/31/31/175383131.db2.gz GRVPQPUCXIMXER-UHFFFAOYSA-N 1 1 268.307 2.065 50 0 CEAAMO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2ccco2)c1 ZINC000067010437 175767639 /nfs/dbraw/zinc/76/76/39/175767639.db2.gz WZKSHZCIZWVVAZ-NSHDSACASA-N 1 1 294.376 2.039 50 0 CEAAMO CN(C)Cc1ccc(-c2cccc3c2CC[NH2+]C3)nc1 ZINC000071747918 176258697 /nfs/dbraw/zinc/25/86/97/176258697.db2.gz XWPXDHSQRXFMOB-UHFFFAOYSA-N 1 1 267.376 2.456 50 0 CEAAMO CCC[N@H+]1CCCN(C(=O)Cc2cccc(OC)c2)CC1 ZINC000071850296 176276473 /nfs/dbraw/zinc/27/64/73/176276473.db2.gz FUEWEZHZCIQOOU-UHFFFAOYSA-N 1 1 290.407 2.182 50 0 CEAAMO c1ncn(C[C@H]2CCCC[N@@H+]2Cc2nc3ccccc3o2)n1 ZINC000071876201 176286007 /nfs/dbraw/zinc/28/60/07/176286007.db2.gz URACAZJARFVLBQ-CYBMUJFWSA-N 1 1 297.362 2.474 50 0 CEAAMO c1ncn(C[C@H]2CCCC[N@H+]2Cc2nc3ccccc3o2)n1 ZINC000071876201 176286008 /nfs/dbraw/zinc/28/60/08/176286008.db2.gz URACAZJARFVLBQ-CYBMUJFWSA-N 1 1 297.362 2.474 50 0 CEAAMO C[C@@H](C(=O)NCCc1ccco1)[N@@H+]1CCc2ccccc2C1 ZINC000071893227 176291603 /nfs/dbraw/zinc/29/16/03/176291603.db2.gz FESALPREJJDNFH-AWEZNQCLSA-N 1 1 298.386 2.385 50 0 CEAAMO C[C@@H](C(=O)NCCc1ccco1)[N@H+]1CCc2ccccc2C1 ZINC000071893227 176291605 /nfs/dbraw/zinc/29/16/05/176291605.db2.gz FESALPREJJDNFH-AWEZNQCLSA-N 1 1 298.386 2.385 50 0 CEAAMO CN(C)C(=O)C[N@@H+](C)CCCc1ccc(Cl)cc1 ZINC000071920915 176300712 /nfs/dbraw/zinc/30/07/12/176300712.db2.gz WRPNEPNPSYAOEB-UHFFFAOYSA-N 1 1 268.788 2.293 50 0 CEAAMO Cn1cc(C[N@H+]2CCCN(c3ccc(F)cc3)CC2)cn1 ZINC000072167874 176331603 /nfs/dbraw/zinc/33/16/03/176331603.db2.gz YPTOWLJCVHWVCC-UHFFFAOYSA-N 1 1 288.370 2.272 50 0 CEAAMO Cc1nonc1C(=O)Nc1ccc(-n2cc[nH+]c2C)cc1 ZINC000072264868 176351692 /nfs/dbraw/zinc/35/16/92/176351692.db2.gz CNVKVWUYLJDBSW-UHFFFAOYSA-N 1 1 283.291 2.124 50 0 CEAAMO C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)CC(=O)N(C)C ZINC000072290834 176361533 /nfs/dbraw/zinc/36/15/33/176361533.db2.gz PJIQYJBRTSKRKV-LLVKDONJSA-N 1 1 268.788 2.291 50 0 CEAAMO Cc1ccsc1C[N@@H+]1CC[C@]2(CN(C)C(=O)O2)C1 ZINC000072411930 176398806 /nfs/dbraw/zinc/39/88/06/176398806.db2.gz XUWDBQKGOUDZQQ-ZDUSSCGKSA-N 1 1 266.366 2.083 50 0 CEAAMO CC[N@H+]1CC[C@@H](N(C)C(=O)NCC(F)(F)F)C[C@@H]1C ZINC000076091917 176910170 /nfs/dbraw/zinc/91/01/70/176910170.db2.gz VKMIAWRCMJDOET-VHSXEESVSA-N 1 1 281.322 2.063 50 0 CEAAMO COc1ccc([C@@H]2C[C@@H](C)[N@H+]([C@@H]3CCOC3=O)C2)cc1 ZINC000076393317 177014442 /nfs/dbraw/zinc/01/44/42/177014442.db2.gz MMFOAHXNTPHLHP-UXIGCNINSA-N 1 1 275.348 2.189 50 0 CEAAMO CC(C)c1nc(CN(C)c2[nH+]cnc3[nH]ccc32)no1 ZINC000077341071 177254538 /nfs/dbraw/zinc/25/45/38/177254538.db2.gz UGPIIOBLBLCVSD-UHFFFAOYSA-N 1 1 272.312 2.101 50 0 CEAAMO c1cnc(N2CCC[N@H+](C3CCCCC3)CC2)cn1 ZINC000077520666 177277433 /nfs/dbraw/zinc/27/74/33/177277433.db2.gz DHNBLNPCTLIZOK-UHFFFAOYSA-N 1 1 260.385 2.321 50 0 CEAAMO CC[N@@H+](C)C[C@H]1CCN(c2cc(Cl)nc(C)n2)C1 ZINC000078583488 177356494 /nfs/dbraw/zinc/35/64/94/177356494.db2.gz ARBKZXPCPCRYNA-LLVKDONJSA-N 1 1 268.792 2.216 50 0 CEAAMO COc1ncccc1C[N@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000395353787 270345949 /nfs/dbraw/zinc/34/59/49/270345949.db2.gz TZFSORBPOYCEQY-CYBMUJFWSA-N 1 1 264.369 2.073 50 0 CEAAMO CNC(=O)[C@@H]1CCC[N@H+]1C/C(C)=C/c1ccccc1 ZINC000092098669 277242302 /nfs/dbraw/zinc/24/23/02/277242302.db2.gz AJYBKPPPXIZRNC-FQNOHDAGSA-N 1 1 258.365 2.300 50 0 CEAAMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)NC1CCCCC1 ZINC000095942744 278091453 /nfs/dbraw/zinc/09/14/53/278091453.db2.gz PCZSRLHTVUSOPN-NWDGAFQWSA-N 1 1 253.390 2.053 50 0 CEAAMO CC1(C)CCCN1C(=O)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000225654661 278217421 /nfs/dbraw/zinc/21/74/21/278217421.db2.gz ZICLHIOZXWSTCK-LBPRGKRZSA-N 1 1 276.384 2.030 50 0 CEAAMO Cc1ccc([C@@H]2CSCC[N@@H+]2CC(=O)NC2CC2)cc1 ZINC000071909434 327106374 /nfs/dbraw/zinc/10/63/74/327106374.db2.gz QEHWXGVHJWMVHD-HNNXBMFYSA-N 1 1 290.432 2.364 50 0 CEAAMO Cc1ccc([C@@H]2CSCC[N@H+]2CC(=O)NC2CC2)cc1 ZINC000071909434 327106376 /nfs/dbraw/zinc/10/63/76/327106376.db2.gz QEHWXGVHJWMVHD-HNNXBMFYSA-N 1 1 290.432 2.364 50 0 CEAAMO C[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1cccc(F)c1F ZINC000096492450 533821345 /nfs/dbraw/zinc/82/13/45/533821345.db2.gz XJFFHHNCYSKSHB-ZETCQYMHSA-N 1 1 296.239 2.294 50 0 CEAAMO CC(C)(C)[N@H+](CCS(C)(=O)=O)Cc1cccc(F)c1 ZINC000096474622 526281847 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/nfs/dbraw/zinc/42/88/82/361428882.db2.gz AVZDUXAFQAAHDB-GASCZTMLSA-N 1 1 289.423 2.155 50 0 CEAAMO C[C@@H]1CN(C2CC[NH+](Cc3cccnc3)CC2)C[C@H](C)O1 ZINC000013513771 361428885 /nfs/dbraw/zinc/42/88/85/361428885.db2.gz AVZDUXAFQAAHDB-GASCZTMLSA-N 1 1 289.423 2.155 50 0 CEAAMO OCC[NH2+]CCCNCc1ccc(-c2ccccc2)cc1 ZINC000013733058 361439650 /nfs/dbraw/zinc/43/96/50/361439650.db2.gz QRUQIIUQRBDLLI-UHFFFAOYSA-N 1 1 284.403 2.415 50 0 CEAAMO CSCC(=O)N[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000015061631 361464126 /nfs/dbraw/zinc/46/41/26/361464126.db2.gz KXTWBYXIZKVEPP-HNNXBMFYSA-N 1 1 292.448 2.173 50 0 CEAAMO CSCCC[N@H+]1CC[C@]2(C1)CCCN(CC1CC1)C2=O ZINC000015073833 361465444 /nfs/dbraw/zinc/46/54/44/361465444.db2.gz KQFIVBMEDQPGLI-INIZCTEOSA-N 1 1 296.480 2.464 50 0 CEAAMO CC[NH+]1CCN(C(=O)C(C)(C)Oc2ccccc2C)CC1 ZINC000016606012 361492942 /nfs/dbraw/zinc/49/29/42/361492942.db2.gz DZTSWKQPQLKAEP-UHFFFAOYSA-N 1 1 290.407 2.317 50 0 CEAAMO CCCc1cc(C(=O)N2CC[NH+](CC)CC2)cs1 ZINC000016604021 361492988 /nfs/dbraw/zinc/49/29/88/361492988.db2.gz SOVZAWPGMPKYQE-UHFFFAOYSA-N 1 1 266.410 2.478 50 0 CEAAMO C[C@H](c1cccnc1)[N@H+](C)Cc1cc(C(N)=O)cs1 ZINC000183725195 189366569 /nfs/dbraw/zinc/36/65/69/189366569.db2.gz XHIBPEBCQKKKPU-SNVBAGLBSA-N 1 1 275.377 2.435 50 0 CEAAMO C[C@H](c1cccnc1)[N@@H+](C)Cc1cc(C(N)=O)cs1 ZINC000183725195 189366570 /nfs/dbraw/zinc/36/65/70/189366570.db2.gz XHIBPEBCQKKKPU-SNVBAGLBSA-N 1 1 275.377 2.435 50 0 CEAAMO Cc1ccc(N2C(=O)C[C@@H]([NH+]3CCCCC3)C2=O)cc1 ZINC000019210589 361520849 /nfs/dbraw/zinc/52/08/49/361520849.db2.gz VKRKHWUEEOGHSI-CQSZACIVSA-N 1 1 272.348 2.113 50 0 CEAAMO CCCC12CN3CC(C)(C[N@H+](C1)C31CCCC1)C2=O ZINC000019322280 361526324 /nfs/dbraw/zinc/52/63/24/361526324.db2.gz HLRNPUOFFBSTHU-UHFFFAOYSA-N 1 1 262.397 2.263 50 0 CEAAMO CCCC12CN3CC(C)(C[N@@H+](C1)C31CCCC1)C2=O ZINC000019322280 361526328 /nfs/dbraw/zinc/52/63/28/361526328.db2.gz HLRNPUOFFBSTHU-UHFFFAOYSA-N 1 1 262.397 2.263 50 0 CEAAMO CCN1CC[NH+](CCC(=O)Nc2ccc(C)c(C)c2)CC1 ZINC000019528177 361541831 /nfs/dbraw/zinc/54/18/31/361541831.db2.gz RLKGBJVXSMEBMH-UHFFFAOYSA-N 1 1 289.423 2.270 50 0 CEAAMO C[C@@H]1CN(C2CC[NH+](Cc3ccncc3)CC2)C[C@@H](C)O1 ZINC000019889910 361564054 /nfs/dbraw/zinc/56/40/54/361564054.db2.gz SSWACDZPHXMSIO-HUUCEWRRSA-N 1 1 289.423 2.155 50 0 CEAAMO CCN1CC[NH+](CCC(=O)Nc2ccccc2Cl)CC1 ZINC000019528187 361542392 /nfs/dbraw/zinc/54/23/92/361542392.db2.gz VAPXLTZAGFLGDS-UHFFFAOYSA-N 1 1 295.814 2.306 50 0 CEAAMO Cc1cccc(C[NH+]2CCN(C(=O)c3cccnc3)CC2)c1 ZINC000019790136 361554410 /nfs/dbraw/zinc/55/44/10/361554410.db2.gz AAGJYNRCFHTBJZ-UHFFFAOYSA-N 1 1 295.386 2.348 50 0 CEAAMO CC(C)C(=O)NCCC[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000024012919 361606550 /nfs/dbraw/zinc/60/65/50/361606550.db2.gz YKKFUDFEPHQNBV-MRXNPFEDSA-N 1 1 290.407 2.222 50 0 CEAAMO CC(C)C(=O)NCCC[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000024012919 361606552 /nfs/dbraw/zinc/60/65/52/361606552.db2.gz YKKFUDFEPHQNBV-MRXNPFEDSA-N 1 1 290.407 2.222 50 0 CEAAMO NC(=O)[C@@H]([NH2+]Cc1ccc(F)cc1)c1ccccc1 ZINC000026163908 361637391 /nfs/dbraw/zinc/63/73/91/361637391.db2.gz KQWAFVFVYHQGLD-AWEZNQCLSA-N 1 1 258.296 2.142 50 0 CEAAMO Cc1[nH+]ccn1CCCCNC(=O)CCCn1cccc1 ZINC000084290851 363806942 /nfs/dbraw/zinc/80/69/42/363806942.db2.gz UTTWUDQBNMDJLR-UHFFFAOYSA-N 1 1 288.395 2.370 50 0 CEAAMO OC1CC[NH+](Cc2nn(-c3ccccc3)c3c2CCC3)CC1 ZINC000084572698 363814840 /nfs/dbraw/zinc/81/48/40/363814840.db2.gz VJDZMKMNNOGYJI-UHFFFAOYSA-N 1 1 297.402 2.318 50 0 CEAAMO FC(F)(F)CC[N@@H+](CCn1cncn1)C1CCCC1 ZINC000084681459 363820571 /nfs/dbraw/zinc/82/05/71/363820571.db2.gz QBNNEJSCCJDUON-UHFFFAOYSA-N 1 1 276.306 2.475 50 0 CEAAMO [NH3+]Cc1ccc2c(n1)CCN(Cc1ccccc1)C2 ZINC000089222902 363949652 /nfs/dbraw/zinc/94/96/52/363949652.db2.gz GEIWZKPROVZWOG-UHFFFAOYSA-N 1 1 253.349 2.099 50 0 CEAAMO CSCC[N@@H+](C)[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000089909944 364016194 /nfs/dbraw/zinc/01/61/94/364016194.db2.gz DFLPUBATMNUINK-HNNXBMFYSA-N 1 1 292.448 2.472 50 0 CEAAMO COCCOc1ccc(C[N@@H+]2CCO[C@H](C)[C@H]2C)cc1 ZINC000093418606 364179481 /nfs/dbraw/zinc/17/94/81/364179481.db2.gz YYNUQPOBTQUEAZ-ZIAGYGMSSA-N 1 1 279.380 2.321 50 0 CEAAMO COCCOc1ccc(C[N@H+]2CCO[C@H](C)[C@H]2C)cc1 ZINC000093418606 364179483 /nfs/dbraw/zinc/17/94/83/364179483.db2.gz YYNUQPOBTQUEAZ-ZIAGYGMSSA-N 1 1 279.380 2.321 50 0 CEAAMO COCCOc1ccc(C[N@@H+]2CCOCC23CCC3)cc1 ZINC000093510622 364195110 /nfs/dbraw/zinc/19/51/10/364195110.db2.gz KIZJUFIRUUPFRW-UHFFFAOYSA-N 1 1 291.391 2.467 50 0 CEAAMO COCCOc1ccc(C[N@H+]2CCOCC23CCC3)cc1 ZINC000093510622 364195115 /nfs/dbraw/zinc/19/51/15/364195115.db2.gz KIZJUFIRUUPFRW-UHFFFAOYSA-N 1 1 291.391 2.467 50 0 CEAAMO COc1cccc(C[N@H+](C)[C@H]2CCC[C@H]2S(C)(=O)=O)c1 ZINC000240668580 370779780 /nfs/dbraw/zinc/77/97/80/370779780.db2.gz HNPCOCBDOUVGBV-LSDHHAIUSA-N 1 1 297.420 2.093 50 0 CEAAMO COc1cccc(C[N@@H+](C)[C@H]2CCC[C@H]2S(C)(=O)=O)c1 ZINC000240668580 370779782 /nfs/dbraw/zinc/77/97/82/370779782.db2.gz HNPCOCBDOUVGBV-LSDHHAIUSA-N 1 1 297.420 2.093 50 0 CEAAMO c1cc2nonc2c(C[N@H+]2CCC[C@]3(CCOC3)C2)c1 ZINC000095387555 364354207 /nfs/dbraw/zinc/35/42/07/364354207.db2.gz NIMXHVPJXONXEY-HNNXBMFYSA-N 1 1 273.336 2.225 50 0 CEAAMO COCCC[N@@H+](C)CCNc1ncc(Cl)cc1F ZINC000095408935 364362825 /nfs/dbraw/zinc/36/28/25/364362825.db2.gz ALYKTOIMLOTBTR-UHFFFAOYSA-N 1 1 275.755 2.254 50 0 CEAAMO CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]Cc1ccco1 ZINC000095435720 364377089 /nfs/dbraw/zinc/37/70/89/364377089.db2.gz LOAXSCHTHATOJK-OLZOCXBDSA-N 1 1 296.367 2.004 50 0 CEAAMO Cn1cc(C[N@@H+](Cc2ccccc2)CC(C)(C)O)cn1 ZINC000095463100 364387293 /nfs/dbraw/zinc/38/72/93/364387293.db2.gz UMJOYEHAIUTPDL-UHFFFAOYSA-N 1 1 273.380 2.193 50 0 CEAAMO C[N@@H+](CCn1cccn1)C[C@@H]1CCOc2ccccc2C1 ZINC000095501097 364392123 /nfs/dbraw/zinc/39/21/23/364392123.db2.gz AXVTUKIOUJBAPS-OAHLLOKOSA-N 1 1 285.391 2.456 50 0 CEAAMO CCOCC(C)(C)NC(=O)[C@H](c1cccc(F)c1)[NH+](C)C ZINC000095359786 364345465 /nfs/dbraw/zinc/34/54/65/364345465.db2.gz DMULEWDVVDCTEZ-AWEZNQCLSA-N 1 1 296.386 2.360 50 0 CEAAMO C[N@H+]1CCCC[C@H]1CCn1ccc2ncccc2c1=O ZINC000095362953 364346795 /nfs/dbraw/zinc/34/67/95/364346795.db2.gz WKWLZMYFQCXBNC-ZDUSSCGKSA-N 1 1 271.364 2.271 50 0 CEAAMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCCCF ZINC000097143116 364464738 /nfs/dbraw/zinc/46/47/38/364464738.db2.gz RPCDERNXTBFMMD-HIFRSBDPSA-N 1 1 293.386 2.166 50 0 CEAAMO Oc1ccccc1N1CC[NH+](Cc2cccnc2)CC1 ZINC000097527646 364509142 /nfs/dbraw/zinc/50/91/42/364509142.db2.gz PHNGRAHZZGLHPH-UHFFFAOYSA-N 1 1 269.348 2.109 50 0 CEAAMO C[C@H]1CCCC[C@H]1C[N@@H+](CCO)C1CCN(C)CC1 ZINC000097372990 364494135 /nfs/dbraw/zinc/49/41/35/364494135.db2.gz FCPFSALMODXKOU-GJZGRUSLSA-N 1 1 268.445 2.201 50 0 CEAAMO COc1ccccc1C[N@@H+]1CCN(C(C)=O)CC1(C)C ZINC000097139148 364461582 /nfs/dbraw/zinc/46/15/82/364461582.db2.gz SPCZKRMQHLLWSY-UHFFFAOYSA-N 1 1 276.380 2.138 50 0 CEAAMO COc1ccccc1C[N@H+]1CCN(C(C)=O)CC1(C)C ZINC000097139148 364461586 /nfs/dbraw/zinc/46/15/86/364461586.db2.gz SPCZKRMQHLLWSY-UHFFFAOYSA-N 1 1 276.380 2.138 50 0 CEAAMO COc1cc(OCC[C@@H]2CCC[N@H+]2C)ccc1N ZINC000098209923 364536750 /nfs/dbraw/zinc/53/67/50/364536750.db2.gz CQYCCQPWLBXMCF-NSHDSACASA-N 1 1 250.342 2.141 50 0 CEAAMO C[C@H]1CC[N@@H+](CCc2ccccn2)C[C@H]1n1ccnc1 ZINC000241301049 370782364 /nfs/dbraw/zinc/78/23/64/370782364.db2.gz LPYCHHMQTNINJR-GOEBONIOSA-N 1 1 270.380 2.404 50 0 CEAAMO CC(C)[N@H+]1CCN(Cc2cccc(F)c2)C[C@H]1CCO ZINC000104361853 364693991 /nfs/dbraw/zinc/69/39/91/364693991.db2.gz MSVANZSYHOLVOE-MRXNPFEDSA-N 1 1 280.387 2.103 50 0 CEAAMO NC(=O)N1CCC[N@@H+](Cc2csc3ccccc23)CC1 ZINC000111688310 364753671 /nfs/dbraw/zinc/75/36/71/364753671.db2.gz FZVONWQIDXVVID-UHFFFAOYSA-N 1 1 289.404 2.488 50 0 CEAAMO Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1cccc2c1OCO2 ZINC000112837324 364849841 /nfs/dbraw/zinc/84/98/41/364849841.db2.gz GIDLBZOYUZLQRZ-SNVBAGLBSA-N 1 1 273.336 2.308 50 0 CEAAMO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)N[C@H]1CCCSC1 ZINC000335934215 365180805 /nfs/dbraw/zinc/18/08/05/365180805.db2.gz RAVRHZQSLSHGML-STQMWFEESA-N 1 1 297.468 2.198 50 0 CEAAMO CC[C@@](C)(O)C[N@H+]1CCc2ccc(C(C)=O)cc2CC1 ZINC000242346927 370786872 /nfs/dbraw/zinc/78/68/72/370786872.db2.gz ZKFZOVQNPGRXJI-QGZVFWFLSA-N 1 1 275.392 2.451 50 0 CEAAMO CNC(=O)CC[N@@H+](C)[C@H](C)c1cc(-c2ccccc2)n[nH]1 ZINC000244874813 370803204 /nfs/dbraw/zinc/80/32/04/370803204.db2.gz XHRKGUSQHDUMGJ-GFCCVEGCSA-N 1 1 286.379 2.206 50 0 CEAAMO CNC(=O)[C@H]1CCCC[N@@H+]1CCC(=O)c1ccc(C)cc1 ZINC000159160948 366883999 /nfs/dbraw/zinc/88/39/99/366883999.db2.gz FBIRLZCIRIERLY-OAHLLOKOSA-N 1 1 288.391 2.168 50 0 CEAAMO CNC(=O)[C@H]1CCCC[N@H+]1CCC(=O)c1ccc(C)cc1 ZINC000159160948 366884004 /nfs/dbraw/zinc/88/40/04/366884004.db2.gz FBIRLZCIRIERLY-OAHLLOKOSA-N 1 1 288.391 2.168 50 0 CEAAMO Fc1ccc(/C=C/C[N@H+]2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000121042408 365515602 /nfs/dbraw/zinc/51/56/02/365515602.db2.gz DYBJDIWUCIAROZ-WZHGYECESA-N 1 1 290.382 2.245 50 0 CEAAMO NC(=O)[C@@H]1CC[N@@H+](Cc2oc3ccccc3c2Cl)C1 ZINC000585117439 367180145 /nfs/dbraw/zinc/18/01/45/367180145.db2.gz COMODRSUTZUCHI-SECBINFHSA-N 1 1 278.739 2.393 50 0 CEAAMO CN1CCCC[C@H]1C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000585120778 367180241 /nfs/dbraw/zinc/18/02/41/367180241.db2.gz KUYCTEZUJVVLNL-INIZCTEOSA-N 1 1 289.423 2.214 50 0 CEAAMO CCn1ncnc1C[N@@H+]1CCCC[C@@H](SC)C1 ZINC000170615847 367387338 /nfs/dbraw/zinc/38/73/38/367387338.db2.gz DVKVBEJIFKDWFD-LLVKDONJSA-N 1 1 254.403 2.016 50 0 CEAAMO CCn1ncnc1C[N@H+]1CCCC[C@@H](SC)C1 ZINC000170615847 367387341 /nfs/dbraw/zinc/38/73/41/367387341.db2.gz DVKVBEJIFKDWFD-LLVKDONJSA-N 1 1 254.403 2.016 50 0 CEAAMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C2CC2)on1 ZINC000176549657 368249365 /nfs/dbraw/zinc/24/93/65/368249365.db2.gz YJGCCRQEYICSEB-OLZOCXBDSA-N 1 1 289.379 2.251 50 0 CEAAMO Cc1nc(C(=O)NCC[N@H+](C)C2CCCC2)c(C)s1 ZINC000178534022 368301921 /nfs/dbraw/zinc/30/19/21/368301921.db2.gz OSAQRNFGOLDSAC-UHFFFAOYSA-N 1 1 281.425 2.364 50 0 CEAAMO COC[C@@H](Nc1ccc(N2CCOCC2)[nH+]c1C)C(C)C ZINC000180049186 368365304 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C[N@@H+](Cc1ccc(F)cc1)Cc1cc(=O)n2ccccc2n1 ZINC000015449662 361473603 /nfs/dbraw/zinc/47/36/03/361473603.db2.gz FBCJNJLVEFIGDF-UHFFFAOYSA-N 1 1 297.333 2.466 50 0 CEAAMO Cc1ccc([C@H](CNC(=O)c2ccco2)[NH+](C)C)o1 ZINC000015860115 361480393 /nfs/dbraw/zinc/48/03/93/361480393.db2.gz ZMMZWGNYAWURIC-NSHDSACASA-N 1 1 262.309 2.214 50 0 CEAAMO CCC[N@H+]1CCN(Cc2ccc(C)cc2)[C@@H](CCO)C1 ZINC000019840228 361559882 /nfs/dbraw/zinc/55/98/82/361559882.db2.gz UBRAZKRARQOVFP-KRWDZBQOSA-N 1 1 276.424 2.274 50 0 CEAAMO CCCN1CC[N@H+](Cc2ccc(C)cc2)[C@@H](CCO)C1 ZINC000019840228 361559884 /nfs/dbraw/zinc/55/98/84/361559884.db2.gz UBRAZKRARQOVFP-KRWDZBQOSA-N 1 1 276.424 2.274 50 0 CEAAMO CCCN1CC[N@@H+](Cc2ccc(C)cc2)[C@@H](CCO)C1 ZINC000019840228 361559887 /nfs/dbraw/zinc/55/98/87/361559887.db2.gz UBRAZKRARQOVFP-KRWDZBQOSA-N 1 1 276.424 2.274 50 0 CEAAMO O=C(c1cccc(F)c1F)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000019606962 361545417 /nfs/dbraw/zinc/54/54/17/361545417.db2.gz XIFBGXAYGBUWHO-NSHDSACASA-N 1 1 280.318 2.275 50 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CC[N@H+](CCO)CC(=O)Nc1c(Cl)cccc1Cl ZINC000024670994 361612704 /nfs/dbraw/zinc/61/27/04/361612704.db2.gz JDKSVWAQEMKHRP-UHFFFAOYSA-N 1 1 291.178 2.246 50 0 CEAAMO CC[N@@H+](CCO)CC(=O)Nc1c(Cl)cccc1Cl ZINC000024670994 361612706 /nfs/dbraw/zinc/61/27/06/361612706.db2.gz JDKSVWAQEMKHRP-UHFFFAOYSA-N 1 1 291.178 2.246 50 0 CEAAMO COCc1ccc(C[NH2+][C@@H](C(N)=O)c2ccccc2)cc1 ZINC000027045970 361648698 /nfs/dbraw/zinc/64/86/98/361648698.db2.gz HPJVXEVTDCJCKG-MRXNPFEDSA-N 1 1 284.359 2.149 50 0 CEAAMO CCCC(=O)NC[C@@H](c1ccccc1OC)[NH+](C)C ZINC000027989170 361665702 /nfs/dbraw/zinc/66/57/02/361665702.db2.gz DXXWEMCRHWHNNM-ZDUSSCGKSA-N 1 1 264.369 2.214 50 0 CEAAMO COC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(-n2cccn2)cc1 ZINC000027562656 361653906 /nfs/dbraw/zinc/65/39/06/361653906.db2.gz ODKSDMCAQIKRJX-INIZCTEOSA-N 1 1 299.374 2.400 50 0 CEAAMO COC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(-n2cccn2)cc1 ZINC000027562656 361653910 /nfs/dbraw/zinc/65/39/10/361653910.db2.gz ODKSDMCAQIKRJX-INIZCTEOSA-N 1 1 299.374 2.400 50 0 CEAAMO COc1ccccc1[C@@H](CNC(=O)CC(C)C)[NH+](C)C ZINC000027794310 361658672 /nfs/dbraw/zinc/65/86/72/361658672.db2.gz HXJYRKUMKTXSTL-CQSZACIVSA-N 1 1 278.396 2.460 50 0 CEAAMO COC[C@H]1CCC[N@H+]1Cc1cc(C(=O)OC)sc1C ZINC000089139698 363935222 /nfs/dbraw/zinc/93/52/22/363935222.db2.gz YIYQTRPXSYNWLU-GFCCVEGCSA-N 1 1 283.393 2.454 50 0 CEAAMO Cc1nsc(N[C@H]2CC[N@H+](C3CCCC3)C2)n1 ZINC000089721439 363995938 /nfs/dbraw/zinc/99/59/38/363995938.db2.gz DCQSOCMDAXXJIH-JTQLQIEISA-N 1 1 252.387 2.275 50 0 CEAAMO c1ccc(-c2nnc3n2CC[N@@H+](CC2CC2)C3)cc1 ZINC000089853161 364009455 /nfs/dbraw/zinc/00/94/55/364009455.db2.gz PSZSMPPYWYKWHL-UHFFFAOYSA-N 1 1 254.337 2.171 50 0 CEAAMO c1ccc(-c2nnc3n2CC[N@H+](CC2CC2)C3)cc1 ZINC000089853161 364009456 /nfs/dbraw/zinc/00/94/56/364009456.db2.gz PSZSMPPYWYKWHL-UHFFFAOYSA-N 1 1 254.337 2.171 50 0 CEAAMO CCc1cc(=O)[nH]c(C[N@@H+](C)[C@@H]2CCC[C@@H]2SC)n1 ZINC000089282844 363953862 /nfs/dbraw/zinc/95/38/62/363953862.db2.gz DSEHAYBWZAVYFB-NEPJUHHUSA-N 1 1 281.425 2.048 50 0 CEAAMO C[N@@H+](CCCN1CCOCC1)Cc1ccc(Cl)cc1 ZINC000089340339 363956221 /nfs/dbraw/zinc/95/62/21/363956221.db2.gz XYRHZESCRIUXGC-UHFFFAOYSA-N 1 1 282.815 2.494 50 0 CEAAMO CCOC(=O)N1CCC[N@H+](Cc2cnc(C)s2)CC1 ZINC000089984741 364027794 /nfs/dbraw/zinc/02/77/94/364027794.db2.gz DUPMWDPIWUMEHL-UHFFFAOYSA-N 1 1 283.397 2.116 50 0 CEAAMO CCOC(=O)N1CCC[N@@H+](Cc2cnc(C)s2)CC1 ZINC000089984741 364027796 /nfs/dbraw/zinc/02/77/96/364027796.db2.gz DUPMWDPIWUMEHL-UHFFFAOYSA-N 1 1 283.397 2.116 50 0 CEAAMO CCc1ccc(C[N@H+]2CCC[C@H](CN3CCOCC3)C2)o1 ZINC000093017536 364130287 /nfs/dbraw/zinc/13/02/87/364130287.db2.gz CMEHQFFUAJBQNM-OAHLLOKOSA-N 1 1 292.423 2.386 50 0 CEAAMO CC(C)c1cc(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)no1 ZINC000240225347 370778539 /nfs/dbraw/zinc/77/85/39/370778539.db2.gz DHISEZVHHFKWIG-NWDGAFQWSA-N 1 1 277.368 2.155 50 0 CEAAMO C[N@@H+](Cc1ccc(Cl)c(F)c1)C1CCN(C(N)=O)CC1 ZINC000093819240 364229791 /nfs/dbraw/zinc/22/97/91/364229791.db2.gz UUGSAHJDMROHEN-UHFFFAOYSA-N 1 1 299.777 2.454 50 0 CEAAMO C[N@H+]1CCCC[C@@H]1CCC(=O)NCCc1ccc(O)cc1 ZINC000095386740 364354040 /nfs/dbraw/zinc/35/40/40/364354040.db2.gz NBVHQERAPLNDQI-OAHLLOKOSA-N 1 1 290.407 2.315 50 0 CEAAMO CCOC[C@H](O)C[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000095398405 364358053 /nfs/dbraw/zinc/35/80/53/364358053.db2.gz KZNSHVWKWYAQEL-CABCVRRESA-N 1 1 281.421 2.174 50 0 CEAAMO CCNC(=O)C[N@H+]1C[C@@H](c2ccsc2)C[C@@H]1C ZINC000095401052 364359376 /nfs/dbraw/zinc/35/93/76/364359376.db2.gz MICRRAKJENUNKF-JQWIXIFHSA-N 1 1 252.383 2.062 50 0 CEAAMO CC[N@@H+](CC(=O)N1CCC(C2CCOCC2)CC1)C1CC1 ZINC000095434758 364375461 /nfs/dbraw/zinc/37/54/61/364375461.db2.gz USJWZLSRKYPQNU-UHFFFAOYSA-N 1 1 294.439 2.136 50 0 CEAAMO Cc1cnc(CC[N@@H+](C)[C@H](C(N)=O)c2ccccc2)s1 ZINC000095438000 364378969 /nfs/dbraw/zinc/37/89/69/364378969.db2.gz RZDCQLFMVLJPOG-AWEZNQCLSA-N 1 1 289.404 2.152 50 0 CEAAMO Cc1cnc(CC[N@H+](C)[C@H](C(N)=O)c2ccccc2)s1 ZINC000095438000 364378974 /nfs/dbraw/zinc/37/89/74/364378974.db2.gz RZDCQLFMVLJPOG-AWEZNQCLSA-N 1 1 289.404 2.152 50 0 CEAAMO CC[N@@H+](C)[C@@H](C)CCNc1nc2c(s1)c(C)nn2C ZINC000096161541 364403525 /nfs/dbraw/zinc/40/35/25/364403525.db2.gz IXFSGHBOXLHMOY-VIFPVBQESA-N 1 1 281.429 2.480 50 0 CEAAMO C[NH+](C)[C@@H](C(=O)N1CCC(F)CC1)c1ccc(F)cc1 ZINC000095364305 364346341 /nfs/dbraw/zinc/34/63/41/364346341.db2.gz WYIGCGILCROSIM-CQSZACIVSA-N 1 1 282.334 2.389 50 0 CEAAMO C[NH+](C)[C@H](C(=O)NCCn1cccc1)c1cccc(F)c1 ZINC000095362475 364346667 /nfs/dbraw/zinc/34/66/67/364346667.db2.gz VTYMNPMGPDDQCX-HNNXBMFYSA-N 1 1 289.354 2.046 50 0 CEAAMO c1cc(C[N@H+]2CCC[C@]3(CCOC3)C2)cc2c1OCO2 ZINC000095378912 364350966 /nfs/dbraw/zinc/35/09/66/364350966.db2.gz YOVINRLMKRGPEK-INIZCTEOSA-N 1 1 275.348 2.418 50 0 CEAAMO C[C@H](C(=O)NCc1cccnc1)[N@@H+]1CCc2ccccc2C1 ZINC000095379575 364351796 /nfs/dbraw/zinc/35/17/96/364351796.db2.gz HYSYQKSYZCFSMP-CQSZACIVSA-N 1 1 295.386 2.145 50 0 CEAAMO C[C@H](C(=O)NCc1cccnc1)[N@H+]1CCc2ccccc2C1 ZINC000095379575 364351799 /nfs/dbraw/zinc/35/17/99/364351799.db2.gz HYSYQKSYZCFSMP-CQSZACIVSA-N 1 1 295.386 2.145 50 0 CEAAMO C[C@H](c1nc2ccccc2o1)[N@H+](C)CCN1CCOC1=O ZINC000097047158 364432622 /nfs/dbraw/zinc/43/26/22/364432622.db2.gz FXXOGOVWPSTUIK-LLVKDONJSA-N 1 1 289.335 2.273 50 0 CEAAMO C[C@H](c1nc2ccccc2o1)[N@@H+](C)CCN1CCOC1=O ZINC000097047158 364432624 /nfs/dbraw/zinc/43/26/24/364432624.db2.gz FXXOGOVWPSTUIK-LLVKDONJSA-N 1 1 289.335 2.273 50 0 CEAAMO CCCCn1ncc(NC(=O)N2CCC[N@@H+](C)CC2)c1C ZINC000097052267 364434837 /nfs/dbraw/zinc/43/48/37/364434837.db2.gz IINZQHAKBIYITJ-UHFFFAOYSA-N 1 1 293.415 2.161 50 0 CEAAMO C(C[N@@H+]1CCC[C@H](N2CCCC2)C1)[C@@H]1CCCO1 ZINC000097105181 364451069 /nfs/dbraw/zinc/45/10/69/364451069.db2.gz KWLINAKWXRRJKE-GJZGRUSLSA-N 1 1 252.402 2.116 50 0 CEAAMO C(C[N@H+]1CCC[C@H](N2CCCC2)C1)[C@@H]1CCCO1 ZINC000097105181 364451073 /nfs/dbraw/zinc/45/10/73/364451073.db2.gz KWLINAKWXRRJKE-GJZGRUSLSA-N 1 1 252.402 2.116 50 0 CEAAMO C[NH+](C)Cc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000097105289 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CEAAMO CC(C)[N@@H+](C)CC(=O)NCC1(c2ccccc2F)CC1 ZINC000071914483 176298827 /nfs/dbraw/zinc/29/88/27/176298827.db2.gz GZOFDYGMDNLHEU-UHFFFAOYSA-N 1 1 278.371 2.314 50 0 CEAAMO CSc1ccccc1C[N@H+]1CCC[C@@](O)(CO)CC1 ZINC000072138994 176323003 /nfs/dbraw/zinc/32/30/03/176323003.db2.gz BICUVNFQYSBRST-HNNXBMFYSA-N 1 1 281.421 2.118 50 0 CEAAMO COc1cccc([C@H]2C[N@@H+](C)[C@H]3[C@@H]2N2CCC3CC2)c1 ZINC000072151614 176327485 /nfs/dbraw/zinc/32/74/85/176327485.db2.gz QHELAIIKIRCIBO-BRWVUGGUSA-N 1 1 272.392 2.187 50 0 CEAAMO Fc1ccc(OCCC[NH+]2CC(n3cccn3)C2)cc1 ZINC000072267694 176352617 /nfs/dbraw/zinc/35/26/17/176352617.db2.gz DRFIUOGLNGXWMW-UHFFFAOYSA-N 1 1 275.327 2.348 50 0 CEAAMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C2CC2)C1 ZINC000072275260 176356375 /nfs/dbraw/zinc/35/63/75/176356375.db2.gz KHYQGOONKDTTPW-LBPRGKRZSA-N 1 1 252.402 2.413 50 0 CEAAMO C[N@H+]1CC[C@H]2CN(C(=O)c3ccn(C(C)(C)C)c3)C[C@H]21 ZINC000077298742 177250205 /nfs/dbraw/zinc/25/02/05/177250205.db2.gz QSDDNEJWOSXYSS-GXTWGEPZSA-N 1 1 275.396 2.019 50 0 CEAAMO Cc1nc([C@H](C)[N@@H+](C)CCCn2nnnc2C)c(C)s1 ZINC000077536797 177278628 /nfs/dbraw/zinc/27/86/28/177278628.db2.gz MUEQBPQLMZYOEX-VIFPVBQESA-N 1 1 294.428 2.138 50 0 CEAAMO C[NH+]1CCN(c2ncnc3c4ccccc4oc32)CC1 ZINC000003152027 273901508 /nfs/dbraw/zinc/90/15/08/273901508.db2.gz VWOBNWMZSJXLKD-UHFFFAOYSA-N 1 1 268.320 2.128 50 0 CEAAMO O=C1C[C@@H]([NH+]2CCCC2)C(=O)N1c1ccc(Cl)cc1 ZINC000019228489 275019470 /nfs/dbraw/zinc/01/94/70/275019470.db2.gz CEMKXVAYQILWDF-GFCCVEGCSA-N 1 1 278.739 2.068 50 0 CEAAMO CCn1cc[nH+]c1[C@@H]1CCCN(c2ccc(C)nn2)C1 ZINC000091494268 276717914 /nfs/dbraw/zinc/71/79/14/276717914.db2.gz KFRAQOCZRSYWDU-CYBMUJFWSA-N 1 1 271.368 2.385 50 0 CEAAMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3cccc4c3CCC4)[C@H]2C1 ZINC000249377265 277144228 /nfs/dbraw/zinc/14/42/28/277144228.db2.gz BAHXUHLLBDAJJD-PBHICJAKSA-N 1 1 284.403 2.342 50 0 CEAAMO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+]1C[C@H]1CCCO1 ZINC000242183876 277200635 /nfs/dbraw/zinc/20/06/35/277200635.db2.gz 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/nfs/dbraw/zinc/34/05/11/328340511.db2.gz FEMZWXCWSJNQOM-HNNXBMFYSA-N 1 1 285.347 2.069 50 0 CEAAMO CCOCC1(CNC(=O)[C@H](C)n2cc[nH+]c2C)CCC1 ZINC000534666119 328345243 /nfs/dbraw/zinc/34/52/43/328345243.db2.gz UJEXRBBJYZJRRP-LBPRGKRZSA-N 1 1 279.384 2.076 50 0 CEAAMO CC(C)(C)[C@@H]1CCC[N@@H+](C[C@H](O)CN2CCCC2=O)CC1 ZINC000071909538 327106347 /nfs/dbraw/zinc/10/63/47/327106347.db2.gz ZHVUSFBYEXINFU-CABCVRRESA-N 1 1 296.455 2.118 50 0 CEAAMO Cc1ccc(C[NH2+]CCc2nc[nH]n2)c(Br)c1 ZINC000096483948 534061811 /nfs/dbraw/zinc/06/18/11/534061811.db2.gz MWIIFDHVXDIZGB-UHFFFAOYSA-N 1 1 295.184 2.208 50 0 CEAAMO COC(=O)c1cc(C[NH2+][C@@H](C)c2cn(C)nc2C)oc1C ZINC000095988266 521861236 /nfs/dbraw/zinc/86/12/36/521861236.db2.gz CFQRSFUGNVGUIR-VIFPVBQESA-N 1 1 291.351 2.267 50 0 CEAAMO COc1ccccc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000055292030 524557817 /nfs/dbraw/zinc/55/78/17/524557817.db2.gz ZGKDBIRQXZOEJC-UHFFFAOYSA-N 1 1 283.375 2.412 50 0 CEAAMO O=C1N[C@H]2CC[C@@H]1C[N@@H+](Cc1cc3ccccc3o1)C2 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ZINC000252509812 628722732 /nfs/dbraw/zinc/72/27/32/628722732.db2.gz YWEMAVSGLUXTAK-MRXNPFEDSA-N 1 1 261.413 2.430 50 0 CEAAMO CN(CCCc1cccnc1)C[C@H]1CCCC[N@H+]1C ZINC000252509812 628722737 /nfs/dbraw/zinc/72/27/37/628722737.db2.gz YWEMAVSGLUXTAK-MRXNPFEDSA-N 1 1 261.413 2.430 50 0 CEAAMO CC(C)c1nsc(CN2C[C@H]3CCC[N@H+]3C[C@@H]2C)n1 ZINC000864090925 646897160 /nfs/dbraw/zinc/89/71/60/646897160.db2.gz FCOYOBFHGNRYKP-NWDGAFQWSA-N 1 1 280.441 2.330 50 0 CEAAMO CCCNC(=O)OC[C@H]1CCCC[N@H+]1CC1CCOCC1 ZINC000805773355 647911214 /nfs/dbraw/zinc/91/12/14/647911214.db2.gz QDFSJFQMFYSHOC-OAHLLOKOSA-N 1 1 298.427 2.404 50 0 CEAAMO Cc1cccc(CCCNC(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC000952990362 815095125 /nfs/dbraw/zinc/09/51/25/815095125.db2.gz VALNHRONSKIJEK-HNNXBMFYSA-N 1 1 260.381 2.138 50 0 CEAAMO Oc1ccc(-c2ccc([C@H](O)C[NH+]3CCOCC3)cc2)cc1 ZINC000032590518 807452148 /nfs/dbraw/zinc/45/21/48/807452148.db2.gz DXJDRIJQDRPVFY-GOSISDBHSA-N 1 1 299.370 2.425 50 0 CEAAMO O=c1c2ccc(Cl)cc2ncn1CCc1cnc[nH]1 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CCC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1cc(C)on1 ZINC000069668520 362990599 /nfs/dbraw/zinc/99/05/99/362990599.db2.gz NKLPWXCJFKMLGH-GJZGRUSLSA-N 1 1 291.395 2.348 50 0 CEAAMO CCC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1Cc1cc(C)on1 ZINC000069668520 362990601 /nfs/dbraw/zinc/99/06/01/362990601.db2.gz NKLPWXCJFKMLGH-GJZGRUSLSA-N 1 1 291.395 2.348 50 0 CEAAMO Cn1cc([C@H]2CCC[N@H+]2C[C@H](O)c2ccc(F)cc2)cn1 ZINC000069703990 362993104 /nfs/dbraw/zinc/99/31/04/362993104.db2.gz VUWAZNGWEGBLAC-CVEARBPZSA-N 1 1 289.354 2.430 50 0 CEAAMO CC[N@H+]1CCCN(C(=O)c2cccc(C)c2C)CC1 ZINC000069809061 363003282 /nfs/dbraw/zinc/00/32/82/363003282.db2.gz OLGHCCZZXMLNJC-UHFFFAOYSA-N 1 1 260.381 2.471 50 0 CEAAMO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](CCc3ccccn3)C2)n1 ZINC000069842684 363007779 /nfs/dbraw/zinc/00/77/79/363007779.db2.gz NDHAUBWNADQRFI-MRXNPFEDSA-N 1 1 299.422 2.245 50 0 CEAAMO CC[NH+]1CCN(C(=O)CCc2cc(Cl)cs2)CC1 ZINC000070041050 363023318 /nfs/dbraw/zinc/02/33/18/363023318.db2.gz SVXQIQGDSAJDQX-UHFFFAOYSA-N 1 1 286.828 2.498 50 0 CEAAMO CCc1[nH+]ccn1CCNc1cc(C)nc2cc(C)nn21 ZINC000072463801 363137144 /nfs/dbraw/zinc/13/71/44/363137144.db2.gz KESBTGWDCTVAQB-UHFFFAOYSA-N 1 1 284.367 2.217 50 0 CEAAMO O=C(C[C@@H]1C=CCC1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000071896638 363118739 /nfs/dbraw/zinc/11/87/39/363118739.db2.gz KZUOWNPMVGUCDD-HZPDHXFCSA-N 1 1 292.423 2.056 50 0 CEAAMO O=C(CC[N@H+]1CCC[C@@]2(CC=CCC2)C1)N1CCOCC1 ZINC000071907886 363119899 /nfs/dbraw/zinc/11/98/99/363119899.db2.gz VLHJVMKXUPBWDY-KRWDZBQOSA-N 1 1 292.423 2.058 50 0 CEAAMO CCCNC(=O)C[N@H+]1C[C@@H](c2ccsc2)C[C@@H]1C ZINC000072294878 363128436 /nfs/dbraw/zinc/12/84/36/363128436.db2.gz ZXOFJRLUTDFWKL-AAEUAGOBSA-N 1 1 266.410 2.452 50 0 CEAAMO CSCC[C@@H](C)N(C)c1cc[nH+]c(N(C)C)n1 ZINC000074770009 363387747 /nfs/dbraw/zinc/38/77/47/363387747.db2.gz XHBPJGDWHHSTEX-SNVBAGLBSA-N 1 1 254.403 2.120 50 0 CEAAMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2ccc[nH]2)C1 ZINC000075130924 363442530 /nfs/dbraw/zinc/44/25/30/363442530.db2.gz NDEIZSFNFBOICK-GFCCVEGCSA-N 1 1 272.352 2.251 50 0 CEAAMO Cc1ccc(N2CCC[C@@H]([N@@H+](C)Cc3ccccn3)C2)nn1 ZINC000075132840 363442735 /nfs/dbraw/zinc/44/27/35/363442735.db2.gz GSYLDMWVPJQRAC-MRXNPFEDSA-N 1 1 297.406 2.281 50 0 CEAAMO CC[C@@H](C(N)=O)[N@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000075838844 363492439 /nfs/dbraw/zinc/49/24/39/363492439.db2.gz MVKDPXSFXPNUHG-LSDHHAIUSA-N 1 1 275.396 2.153 50 0 CEAAMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)Nc1cccc(F)c1 ZINC000079097617 363578496 /nfs/dbraw/zinc/57/84/96/363578496.db2.gz ZQVLLKBJUMNMPR-HZMBPMFUSA-N 1 1 277.343 2.430 50 0 CEAAMO C[C@@H]1CCCC[N@@H+]1CN1C(=O)CC2(CCCC2)C1=O ZINC000012983881 540331839 /nfs/dbraw/zinc/33/18/39/540331839.db2.gz QKSGJCNPFFZJSH-GFCCVEGCSA-N 1 1 264.369 2.138 50 0 CEAAMO C[C@@H]1CCCC[N@H+]1CN1C(=O)CC2(CCCC2)C1=O ZINC000012983881 540331841 /nfs/dbraw/zinc/33/18/41/540331841.db2.gz QKSGJCNPFFZJSH-GFCCVEGCSA-N 1 1 264.369 2.138 50 0 CEAAMO Cc1ccc(N2CC[N@H+](Cc3ccnn3C)[C@@H](C)C2)cc1 ZINC000670433934 540406553 /nfs/dbraw/zinc/40/65/53/540406553.db2.gz TVSUQCMQNWMKQI-HNNXBMFYSA-N 1 1 284.407 2.439 50 0 CEAAMO Cc1ccc(N2CC[N@@H+](Cc3ccnn3C)[C@@H](C)C2)cc1 ZINC000670433934 540406558 /nfs/dbraw/zinc/40/65/58/540406558.db2.gz TVSUQCMQNWMKQI-HNNXBMFYSA-N 1 1 284.407 2.439 50 0 CEAAMO C[N@@H+](CCC(=O)NC1CCCCCC1)CCC(C)(C)O ZINC000670451832 540415010 /nfs/dbraw/zinc/41/50/10/540415010.db2.gz QDZSORKVNIXSFJ-UHFFFAOYSA-N 1 1 284.444 2.308 50 0 CEAAMO CC[C@]1(O)CCC[N@@H+](Cc2ccc3cc[nH]c3n2)C1 ZINC000670452824 540415589 /nfs/dbraw/zinc/41/55/89/540415589.db2.gz KMRFXWMMDQQLCP-HNNXBMFYSA-N 1 1 259.353 2.300 50 0 CEAAMO CCCOC[C@H]1CC[N@@H+](CC(=O)NC2CCCCC2)C1 ZINC000670455919 540418434 /nfs/dbraw/zinc/41/84/34/540418434.db2.gz FTXRDPNQLIVPTI-AWEZNQCLSA-N 1 1 282.428 2.184 50 0 CEAAMO Cc1n[nH]c(C)c1CCC[N@H+](C)Cc1cnc(C)cn1 ZINC000670456648 540419515 /nfs/dbraw/zinc/41/95/15/540419515.db2.gz UCBCKTBAYQKVBD-UHFFFAOYSA-N 1 1 273.384 2.190 50 0 CEAAMO Cc1cc(C[N@@H+](C)CCn2cc(Cl)cn2)ccn1 ZINC000670461930 540422682 /nfs/dbraw/zinc/42/26/82/540422682.db2.gz LOWXVRPNENQUMW-UHFFFAOYSA-N 1 1 264.760 2.372 50 0 CEAAMO Cc1nncn1CC[N@@H+]1CCN(c2ccc(C)cc2)C[C@H]1C ZINC000670463448 540423046 /nfs/dbraw/zinc/42/30/46/540423046.db2.gz WJAUBHNCNPYQPR-OAHLLOKOSA-N 1 1 299.422 2.106 50 0 CEAAMO OCC1(CNc2cc[nH+]c3ccsc32)CCOCC1 ZINC000178652058 189134933 /nfs/dbraw/zinc/13/49/33/189134933.db2.gz BCJLUUQLVANNJO-UHFFFAOYSA-N 1 1 278.377 2.497 50 0 CEAAMO O=C(CN1CCCC1)Nc1c2c([nH+]c3c1CCC3)CCC2 ZINC000000198577 361143191 /nfs/dbraw/zinc/14/31/91/361143191.db2.gz XERJEQQLNAIUTQ-UHFFFAOYSA-N 1 1 285.391 2.093 50 0 CEAAMO O[C@H]1CCC[N@H+](Cc2cccc(Br)c2)C1 ZINC000000200475 361143669 /nfs/dbraw/zinc/14/36/69/361143669.db2.gz RXTUBWGTBJKPDQ-LBPRGKRZSA-N 1 1 270.170 2.406 50 0 CEAAMO O[C@H]1CCC[N@@H+](Cc2cccc(Br)c2)C1 ZINC000000200475 361143672 /nfs/dbraw/zinc/14/36/72/361143672.db2.gz RXTUBWGTBJKPDQ-LBPRGKRZSA-N 1 1 270.170 2.406 50 0 CEAAMO COc1ccccc1C(=O)OCC[N@@H+](C)C(C)C ZINC000002180589 361229815 /nfs/dbraw/zinc/22/98/15/361229815.db2.gz MWQVGUMAGXXGOC-UHFFFAOYSA-N 1 1 251.326 2.192 50 0 CEAAMO CC[C@@H]1CN(C(=O)c2scnc2C)CC[N@@H+]1C(C)C ZINC000082109283 363750469 /nfs/dbraw/zinc/75/04/69/363750469.db2.gz HPXONSYXDSPFLW-GFCCVEGCSA-N 1 1 281.425 2.396 50 0 CEAAMO CC[C@@H]1CN(C(=O)c2scnc2C)CC[N@H+]1C(C)C ZINC000082109283 363750471 /nfs/dbraw/zinc/75/04/71/363750471.db2.gz HPXONSYXDSPFLW-GFCCVEGCSA-N 1 1 281.425 2.396 50 0 CEAAMO O[C@H](COC1CCCC1)C[N@H+]1CCc2ccccc2C1 ZINC000012419973 361384590 /nfs/dbraw/zinc/38/45/90/361384590.db2.gz ZIJZTQXXJGIFDD-INIZCTEOSA-N 1 1 275.392 2.365 50 0 CEAAMO C[C@H](Sc1nc(N)cc(N)[nH+]1)c1nc(C(C)(C)C)no1 ZINC000012539317 361388969 /nfs/dbraw/zinc/38/89/69/361388969.db2.gz FSLMCKHONYYXNR-LURJTMIESA-N 1 1 294.384 2.175 50 0 CEAAMO C[NH+]1CCN(C(=O)c2csc3ccccc23)CC1 ZINC000012973403 361411043 /nfs/dbraw/zinc/41/10/43/361411043.db2.gz RQPSQPCIAWHYNK-UHFFFAOYSA-N 1 1 260.362 2.289 50 0 CEAAMO CCN1CC[N@@H+](C/C=C/c2ccccc2)CCC1=O ZINC000014970995 361463346 /nfs/dbraw/zinc/46/33/46/361463346.db2.gz ODBSEOKDDQAQPW-RMKNXTFCSA-N 1 1 258.365 2.254 50 0 CEAAMO Cc1cccc(O[C@@H](C)C(=O)N2CCC[N@@H+](C)CC2)c1C ZINC000015952193 361482126 /nfs/dbraw/zinc/48/21/26/361482126.db2.gz RRNNULHFDBTDAQ-HNNXBMFYSA-N 1 1 290.407 2.235 50 0 CEAAMO C1CCN([C@H]2CCC[N@H+](C3CCSCC3)C2)C1 ZINC000019838724 361558637 /nfs/dbraw/zinc/55/86/37/361558637.db2.gz CKAIPDHPTFTJKY-AWEZNQCLSA-N 1 1 254.443 2.442 50 0 CEAAMO C1CC[NH+]([C@H]2CCCN(C3CCSCC3)C2)C1 ZINC000019838724 361558641 /nfs/dbraw/zinc/55/86/41/361558641.db2.gz CKAIPDHPTFTJKY-AWEZNQCLSA-N 1 1 254.443 2.442 50 0 CEAAMO CCN1CC[NH+](CCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000019528181 361542099 /nfs/dbraw/zinc/54/20/99/361542099.db2.gz DDWSLGANVLOGSU-UHFFFAOYSA-N 1 1 295.814 2.306 50 0 CEAAMO COc1ccc(C[NH+]2CCN(c3ncccn3)CC2)cc1C ZINC000019537528 361544237 /nfs/dbraw/zinc/54/42/37/361544237.db2.gz YMPGTITTZQCRBN-UHFFFAOYSA-N 1 1 298.390 2.116 50 0 CEAAMO Cc1ccc(CN2CC[N@H+](C3CCCC3)C[C@@H]2CCO)o1 ZINC000019794431 361555208 /nfs/dbraw/zinc/55/52/08/361555208.db2.gz KQJLUOZHEFJWBW-INIZCTEOSA-N 1 1 292.423 2.399 50 0 CEAAMO CC[NH+]1CCN(C(=O)[C@@H](C)Oc2ccc(C)cc2C)CC1 ZINC000020018685 361575020 /nfs/dbraw/zinc/57/50/20/361575020.db2.gz VUBWKGJHKIYPQW-OAHLLOKOSA-N 1 1 290.407 2.235 50 0 CEAAMO C[NH+](C)[C@H](CNC(=O)c1cccc(F)c1)c1ccco1 ZINC000022858466 361587730 /nfs/dbraw/zinc/58/77/30/361587730.db2.gz OHQJXSIRZODHEX-CYBMUJFWSA-N 1 1 276.311 2.451 50 0 CEAAMO CC(C)[N@H+]1CCN(CCCc2ccccc2)C[C@@H]1CCO ZINC000022919049 361590437 /nfs/dbraw/zinc/59/04/37/361590437.db2.gz BJMOVCGRXXLABN-SFHVURJKSA-N 1 1 290.451 2.396 50 0 CEAAMO CC(C)N1CC[N@H+](CCCc2ccccc2)C[C@@H]1CCO ZINC000022919049 361590443 /nfs/dbraw/zinc/59/04/43/361590443.db2.gz BJMOVCGRXXLABN-SFHVURJKSA-N 1 1 290.451 2.396 50 0 CEAAMO CC(C)N1CC[N@@H+](CCCc2ccccc2)C[C@@H]1CCO ZINC000022919049 361590450 /nfs/dbraw/zinc/59/04/50/361590450.db2.gz BJMOVCGRXXLABN-SFHVURJKSA-N 1 1 290.451 2.396 50 0 CEAAMO Cc1cc(C[NH2+][C@H](C(N)=O)c2ccccc2)ccc1F ZINC000026225858 361637119 /nfs/dbraw/zinc/63/71/19/361637119.db2.gz BPICLYGPNUEQCP-HNNXBMFYSA-N 1 1 272.323 2.450 50 0 CEAAMO CCCC(=O)NC[C@H](c1ccccc1OC)[NH+](C)C ZINC000027989164 361665469 /nfs/dbraw/zinc/66/54/69/361665469.db2.gz DXXWEMCRHWHNNM-CYBMUJFWSA-N 1 1 264.369 2.214 50 0 CEAAMO C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)[NH+]1CCCC1 ZINC000027271103 361650274 /nfs/dbraw/zinc/65/02/74/361650274.db2.gz UBBAKJFFSIXAIF-NSHDSACASA-N 1 1 284.367 2.354 50 0 CEAAMO C[C@H]([NH2+]C[C@@H]1CCCn2ccnc21)c1nc(C2CC2)no1 ZINC000084667646 363818524 /nfs/dbraw/zinc/81/85/24/363818524.db2.gz RNOIEKJLWCXEBU-JQWIXIFHSA-N 1 1 287.367 2.372 50 0 CEAAMO CCn1cc(C(=O)N2CC[N@H+](C)C[C@@H]2C)c2ccccc21 ZINC000089305604 363954569 /nfs/dbraw/zinc/95/45/69/363954569.db2.gz PDFUHBAYYHMFPD-ZDUSSCGKSA-N 1 1 285.391 2.437 50 0 CEAAMO CCn1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2C)c2ccccc21 ZINC000089305604 363954572 /nfs/dbraw/zinc/95/45/72/363954572.db2.gz PDFUHBAYYHMFPD-ZDUSSCGKSA-N 1 1 285.391 2.437 50 0 CEAAMO CN(Cc1nnc2ccccn21)c1cc[nH+]cc1Cl ZINC000089364938 363958823 /nfs/dbraw/zinc/95/88/23/363958823.db2.gz LKGSSJHEHUUTPW-UHFFFAOYSA-N 1 1 273.727 2.414 50 0 CEAAMO CC[N@H+]1CCCN(Cc2sc(C)nc2C)CC1 ZINC000089977263 364025298 /nfs/dbraw/zinc/02/52/98/364025298.db2.gz BHTFLYCHGXIWRR-UHFFFAOYSA-N 1 1 253.415 2.288 50 0 CEAAMO CCN1CCC[N@H+](Cc2sc(C)nc2C)CC1 ZINC000089977263 364025303 /nfs/dbraw/zinc/02/53/03/364025303.db2.gz BHTFLYCHGXIWRR-UHFFFAOYSA-N 1 1 253.415 2.288 50 0 CEAAMO CCN1CCC[N@@H+](Cc2sc(C)nc2C)CC1 ZINC000089977263 364025307 /nfs/dbraw/zinc/02/53/07/364025307.db2.gz BHTFLYCHGXIWRR-UHFFFAOYSA-N 1 1 253.415 2.288 50 0 CEAAMO COCCOc1ccc(C[N@@H+]2CCO[C@@H](C)[C@H]2C)cc1 ZINC000093418604 364179309 /nfs/dbraw/zinc/17/93/09/364179309.db2.gz YYNUQPOBTQUEAZ-KGLIPLIRSA-N 1 1 279.380 2.321 50 0 CEAAMO COCCOc1ccc(C[N@H+]2CCO[C@@H](C)[C@H]2C)cc1 ZINC000093418604 364179314 /nfs/dbraw/zinc/17/93/14/364179314.db2.gz YYNUQPOBTQUEAZ-KGLIPLIRSA-N 1 1 279.380 2.321 50 0 CEAAMO C[C@@H]1C[C@@H]([NH+](C)CC(=O)[O-])CC[N@@H+]1Cc1ccccc1 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/nfs/dbraw/zinc/24/01/73/279240173.db2.gz CHRHVKZZDCYINV-ZDUSSCGKSA-N 1 1 276.380 2.158 50 0 CEAAMO Cc1cc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)no1 ZINC000048087994 280349743 /nfs/dbraw/zinc/34/97/43/280349743.db2.gz HBIRLOBQKYXCGT-ZDUSSCGKSA-N 1 1 289.335 2.143 50 0 CEAAMO COc1ccc([C@H](C)C[N@H+]2CCC[C@@H](CC(N)=O)C2)cc1 ZINC000221717064 295234588 /nfs/dbraw/zinc/23/45/88/295234588.db2.gz FRSPULRMABWCFC-KGLIPLIRSA-N 1 1 290.407 2.386 50 0 CEAAMO COc1cccc([C@@H]2[C@H](NC(C)=O)CC[N@H+]2C2CC2)c1 ZINC000097047633 295321737 /nfs/dbraw/zinc/32/17/37/295321737.db2.gz HMXGVHGMDMFLRZ-HZPDHXFCSA-N 1 1 274.364 2.109 50 0 CEAAMO C=Cc1ccc(NC[C@H](CC)[NH+]2CCOCC2)nc1 ZINC000534582802 328312717 /nfs/dbraw/zinc/31/27/17/328312717.db2.gz SCUBXCQCJGLVCT-AWEZNQCLSA-N 1 1 261.369 2.247 50 0 CEAAMO CCc1[nH+]ccn1CCNC(=O)N(CC)CC(F)(F)F ZINC000534651771 328337619 /nfs/dbraw/zinc/33/76/19/328337619.db2.gz OYRDRNCJDWHEHF-UHFFFAOYSA-N 1 1 292.305 2.039 50 0 CEAAMO CC[NH+](CC)CC1(Nc2nc(C)[nH]c(=O)c2Cl)CC1 ZINC000534675369 328356182 /nfs/dbraw/zinc/35/61/82/328356182.db2.gz SXYIFLABRVTOER-UHFFFAOYSA-N 1 1 284.791 2.430 50 0 CEAAMO C[C@H]1CCCC[N@H+]1C1CN(c2ncnc3c2CCC3)C1 ZINC000077422222 327132301 /nfs/dbraw/zinc/13/23/01/327132301.db2.gz RVDHNXFXMSYNKI-LBPRGKRZSA-N 1 1 272.396 2.028 50 0 CEAAMO CC[N@@H+](CCCCO)[C@H](C)Cc1ccc(O)cc1 ZINC000005850027 333225601 /nfs/dbraw/zinc/22/56/01/333225601.db2.gz RNGYIAYXMHMWTO-CYBMUJFWSA-N 1 1 251.370 2.418 50 0 CEAAMO CC[N@@H+]1CCCC[C@H]1CNc1ccccc1S(C)(=O)=O ZINC000096456210 529015672 /nfs/dbraw/zinc/01/56/72/529015672.db2.gz ZQKVRZAJQMCDSB-ZDUSSCGKSA-N 1 1 296.436 2.376 50 0 CEAAMO CC[N@H+]1CCCC[C@H]1CNc1ccccc1S(C)(=O)=O ZINC000096456210 529015674 /nfs/dbraw/zinc/01/56/74/529015674.db2.gz ZQKVRZAJQMCDSB-ZDUSSCGKSA-N 1 1 296.436 2.376 50 0 CEAAMO CC(C)C[N@H+]1CCN(C(=O)CCC2(C)CC2)C[C@H]1CCO ZINC000952867840 815077858 /nfs/dbraw/zinc/07/78/58/815077858.db2.gz TXLUBNUCZGDKQL-OAHLLOKOSA-N 1 1 296.455 2.118 50 0 CEAAMO Cc1cc(N2CC3(CC[N@@H+]3Cc3ccccc3)C2)ncn1 ZINC000952963252 815081083 /nfs/dbraw/zinc/08/10/83/815081083.db2.gz DXGJQOHVWPDQPA-UHFFFAOYSA-N 1 1 280.375 2.250 50 0 CEAAMO Cc1cc(N2CC3(CC[N@H+]3Cc3ccccc3)C2)ncn1 ZINC000952963252 815081088 /nfs/dbraw/zinc/08/10/88/815081088.db2.gz DXGJQOHVWPDQPA-UHFFFAOYSA-N 1 1 280.375 2.250 50 0 CEAAMO CC(C)(C)[C@H]1CCC[N@@H+](CCn2cnnc2)CC1 ZINC000820764102 810557136 /nfs/dbraw/zinc/55/71/36/810557136.db2.gz GISNAGCZNSUBHW-ZDUSSCGKSA-N 1 1 250.390 2.426 50 0 CEAAMO CC(C)[N@H+]1CCC[C@H]1CNc1ncnc2[nH]ccc21 ZINC000821746074 810571679 /nfs/dbraw/zinc/57/16/79/810571679.db2.gz SNQZDBLRMSWGCM-NSHDSACASA-N 1 1 259.357 2.243 50 0 CEAAMO C[N@H+](Cc1cc(C2CC2)n[nH]1)C[C@H]1CC[C@H](O)CC1 ZINC000823717533 810625950 /nfs/dbraw/zinc/62/59/50/810625950.db2.gz MMLKGGHRTJBJPO-YEORSEQZSA-N 1 1 263.385 2.270 50 0 CEAAMO Cn1ccc2cc(CN3CCOC4(CC[NH2+]CC4)C3)ccc21 ZINC000825640376 810721881 /nfs/dbraw/zinc/72/18/81/810721881.db2.gz KXPHQDDMYUBFFT-UHFFFAOYSA-N 1 1 299.418 2.133 50 0 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ZINC000007787611 361340248 /nfs/dbraw/zinc/34/02/48/361340248.db2.gz OFRWSWVVFOJTHT-GFCCVEGCSA-N 1 1 290.363 2.144 50 0 CEAAMO C[C@H]1CCCC[N@@H+]1Cc1nc2ccccc2c(=O)[nH]1 ZINC000013142738 361421221 /nfs/dbraw/zinc/42/12/21/361421221.db2.gz JKOQEMGETRXOTE-NSHDSACASA-N 1 1 257.337 2.298 50 0 CEAAMO C[C@H]1CCCC[N@H+]1Cc1nc2ccccc2c(=O)[nH]1 ZINC000013142738 361421224 /nfs/dbraw/zinc/42/12/24/361421224.db2.gz JKOQEMGETRXOTE-NSHDSACASA-N 1 1 257.337 2.298 50 0 CEAAMO CCCCc1c(O)nc(SCC[NH+](CC)CC)[nH]c1=O ZINC000013382309 361426015 /nfs/dbraw/zinc/42/60/15/361426015.db2.gz ANKAWBHFPTWOMW-UHFFFAOYSA-N 1 1 299.440 2.252 50 0 CEAAMO O=Cc1sc(=O)[nH]c1-[n+]1cccc(Cc2ccccc2)c1 ZINC000013756009 361441221 /nfs/dbraw/zinc/44/12/21/361441221.db2.gz YIOVEZUVEZCWRH-UHFFFAOYSA-O 1 1 297.359 2.116 50 0 CEAAMO C[C@H](C(=O)NC1CCCC1)[N@H+](C)CCOc1ccccc1 ZINC000014165456 361449820 /nfs/dbraw/zinc/44/98/20/361449820.db2.gz NYRNPKKBPZIIRX-CQSZACIVSA-N 1 1 290.407 2.445 50 0 CEAAMO C[C@H](C(=O)NC1CCCC1)[N@@H+](C)CCOc1ccccc1 ZINC000014165456 361449825 /nfs/dbraw/zinc/44/98/25/361449825.db2.gz NYRNPKKBPZIIRX-CQSZACIVSA-N 1 1 290.407 2.445 50 0 CEAAMO COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH+]2CCCC2)c1C ZINC000016445311 361489149 /nfs/dbraw/zinc/48/91/49/361489149.db2.gz IBTBSRPBUSVMHV-NSHDSACASA-N 1 1 278.352 2.085 50 0 CEAAMO Cc1cc(C)c(C(N)=O)c(NCCc2ccccc2)[nH+]1 ZINC000019117536 361519565 /nfs/dbraw/zinc/51/95/65/361519565.db2.gz HOAUSGYMJMKDTG-UHFFFAOYSA-N 1 1 269.348 2.452 50 0 CEAAMO Cc1cccc(C[NH+]2CCC(N3CCN(C)CC3)CC2)c1 ZINC000019889843 361564131 /nfs/dbraw/zinc/56/41/31/361564131.db2.gz LLCRAQVRCMVEIZ-UHFFFAOYSA-N 1 1 287.451 2.207 50 0 CEAAMO CC[N@H+]1CCC[C@H](c2nc(-c3ccccn3)no2)C1 ZINC000019794709 361555725 /nfs/dbraw/zinc/55/57/25/361555725.db2.gz VVTFGSBMGXQHHY-NSHDSACASA-N 1 1 258.325 2.331 50 0 CEAAMO C[C@H]1[C@H]2CCC[N@H+]2CCN1Cc1ccc2c(c1)OCO2 ZINC000023471797 361599207 /nfs/dbraw/zinc/59/92/07/361599207.db2.gz SXWCVRDBBBBOJI-GXTWGEPZSA-N 1 1 274.364 2.084 50 0 CEAAMO C[NH+](C)CCCn1c(=O)c2cc(Cl)ccc2[nH]c1=S ZINC000023625046 361601870 /nfs/dbraw/zinc/60/18/70/361601870.db2.gz PBJUNGYSMWLZLJ-UHFFFAOYSA-N 1 1 297.811 2.290 50 0 CEAAMO Cc1cc(C(C)(C)C)ccc1OCC[NH2+]CCN ZINC000020118415 361580062 /nfs/dbraw/zinc/58/00/62/361580062.db2.gz XSMLGSQVBAVRNJ-UHFFFAOYSA-N 1 1 250.386 2.220 50 0 CEAAMO Cc1ccc2occ(CN3CCC[N@H+](C)CC3)c(=O)c2c1 ZINC000022830138 361587624 /nfs/dbraw/zinc/58/76/24/361587624.db2.gz HXQXHODAKGMWJE-UHFFFAOYSA-N 1 1 286.375 2.239 50 0 CEAAMO Cc1cc(C[NH2+][C@@H](C(N)=O)c2ccccc2)ccc1F ZINC000026225856 361637451 /nfs/dbraw/zinc/63/74/51/361637451.db2.gz BPICLYGPNUEQCP-OAHLLOKOSA-N 1 1 272.323 2.450 50 0 CEAAMO Cc1ccccc1C[NH2+][C@H](C(N)=O)c1ccccc1 ZINC000026220216 361637536 /nfs/dbraw/zinc/63/75/36/361637536.db2.gz ONJOYLFTJNGVCT-HNNXBMFYSA-N 1 1 254.333 2.311 50 0 CEAAMO Cn1cc(C[N@@H+](C)Cc2ccc(-n3cccn3)cc2)cn1 ZINC000027539416 361654288 /nfs/dbraw/zinc/65/42/88/361654288.db2.gz SCYYSBTUPDVMQY-UHFFFAOYSA-N 1 1 281.363 2.238 50 0 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/nfs/dbraw/zinc/69/68/79/363696879.db2.gz KZTPBXHZRLDTMK-UHFFFAOYSA-N 1 1 288.313 2.462 50 0 CEAAMO CN(C[C@H]1CC[N@@H+](C)C1(C)C)C(=O)Cc1cccc(O)c1 ZINC000299790164 200875434 /nfs/dbraw/zinc/87/54/34/200875434.db2.gz MLBHUOUEQQPAIV-CQSZACIVSA-N 1 1 290.407 2.123 50 0 CEAAMO CCOC(=O)c1ccc(NC(=O)C[NH+]2CCCCC2)cc1 ZINC000000200489 361143922 /nfs/dbraw/zinc/14/39/22/361143922.db2.gz QLGIFPJNYPWBMQ-UHFFFAOYSA-N 1 1 290.363 2.288 50 0 in-man CEAAMO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2)C1 ZINC000000757357 361190635 /nfs/dbraw/zinc/19/06/35/361190635.db2.gz WYAPJTHWNGLAQQ-LLVKDONJSA-N 1 1 297.196 2.146 50 0 CEAAMO COc1ccc(NC(=O)N[C@@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000003622351 361286797 /nfs/dbraw/zinc/28/67/97/361286797.db2.gz JIIGWQBOYHOOMD-CYBMUJFWSA-N 1 1 277.368 2.299 50 0 CEAAMO CC(C)c1ccc(OCCOCC[N@@H+](C)CCO)cc1 ZINC000002981032 361259845 /nfs/dbraw/zinc/25/98/45/361259845.db2.gz KPWMZUKZEJIXOM-UHFFFAOYSA-N 1 1 281.396 2.130 50 0 CEAAMO Cc1nccn1CCC[N@@H+]1CCC[C@H](c2nccn2C)C1 ZINC000082115164 363751595 /nfs/dbraw/zinc/75/15/95/363751595.db2.gz DCQSRGNHASBGTB-HNNXBMFYSA-N 1 1 287.411 2.195 50 0 CEAAMO CCCOC(=O)NCc1cc2n(n1)CCC[N@@H+](CCC)C2 ZINC000082114782 363751870 /nfs/dbraw/zinc/75/18/70/363751870.db2.gz ATUNPWHOAOZPSS-UHFFFAOYSA-N 1 1 294.399 2.135 50 0 CEAAMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2ccsc2)C[C@@H](C)O1 ZINC000012807550 361402504 /nfs/dbraw/zinc/40/25/04/361402504.db2.gz ZNNJKDMJNCFUSB-VXGBXAGGSA-N 1 1 296.436 2.366 50 0 CEAAMO C[C@@H](C(=O)NCc1cccs1)[N@H+]1CCC[C@@H](C)C1 ZINC000012910234 361407435 /nfs/dbraw/zinc/40/74/35/361407435.db2.gz VHLYEGMIXBUCHA-NEPJUHHUSA-N 1 1 266.410 2.485 50 0 CEAAMO C[C@@H](C(=O)NCc1cccs1)[N@H+]1CCC[C@H](C)C1 ZINC000012910239 361407675 /nfs/dbraw/zinc/40/76/75/361407675.db2.gz VHLYEGMIXBUCHA-RYUDHWBXSA-N 1 1 266.410 2.485 50 0 CEAAMO CC[C@H](Oc1ccc(F)cc1)C(=O)N1CC[NH+](CC)CC1 ZINC000016603225 361492870 /nfs/dbraw/zinc/49/28/70/361492870.db2.gz SSOPOIIRWZCONT-HNNXBMFYSA-N 1 1 294.370 2.147 50 0 CEAAMO Cc1cc(CN(C)C(=O)CC[N@@H+]2CCC[C@@H](C)C2)on1 ZINC000019300730 361527377 /nfs/dbraw/zinc/52/73/77/361527377.db2.gz MKOAKOKQRGBADD-GFCCVEGCSA-N 1 1 279.384 2.063 50 0 CEAAMO C1CCN([C@@H]2CCC[N@H+](C3CCSCC3)C2)C1 ZINC000019838722 361559845 /nfs/dbraw/zinc/55/98/45/361559845.db2.gz CKAIPDHPTFTJKY-CQSZACIVSA-N 1 1 254.443 2.442 50 0 CEAAMO C1CC[NH+]([C@@H]2CCCN(C3CCSCC3)C2)C1 ZINC000019838722 361559847 /nfs/dbraw/zinc/55/98/47/361559847.db2.gz CKAIPDHPTFTJKY-CQSZACIVSA-N 1 1 254.443 2.442 50 0 CEAAMO CC[N@H+](CCN(C)C)Cc1ccc(OC)c(OC)c1 ZINC000019632808 361545456 /nfs/dbraw/zinc/54/54/56/361545456.db2.gz GTJSTUTUNMEJKG-UHFFFAOYSA-N 1 1 266.385 2.087 50 0 CEAAMO CC[N@@H+](CCN(C)C)Cc1ccc(OC)c(OC)c1 ZINC000019632808 361545459 /nfs/dbraw/zinc/54/54/59/361545459.db2.gz GTJSTUTUNMEJKG-UHFFFAOYSA-N 1 1 266.385 2.087 50 0 CEAAMO Cc1csc2c1ncnc2NCCC[NH+]1CCOCC1 ZINC000019924789 361567369 /nfs/dbraw/zinc/56/73/69/361567369.db2.gz XAKQSEVYBCVQRD-UHFFFAOYSA-N 1 1 292.408 2.134 50 0 CEAAMO O=S1(=O)CC[C@H]([NH2+]Cc2ccc(Cl)cc2Cl)C1 ZINC000019772607 361552498 /nfs/dbraw/zinc/55/24/98/361552498.db2.gz ASIOTYFCSDXNRV-JTQLQIEISA-N 1 1 294.203 2.270 50 0 CEAAMO CC(C)(CNc1nc2ccccc2o1)[NH+]1CCOCC1 ZINC000023043300 361592312 /nfs/dbraw/zinc/59/23/12/361592312.db2.gz FRYFEDGGTQQGJS-UHFFFAOYSA-N 1 1 275.352 2.351 50 0 CEAAMO Cc1ccc(C(=O)NCC[N@H+]2CCc3ccccc3C2)cn1 ZINC000031339678 361710264 /nfs/dbraw/zinc/71/02/64/361710264.db2.gz ROOBOGCONOVYLM-UHFFFAOYSA-N 1 1 295.386 2.178 50 0 CEAAMO Cc1nc(C[NH+]2CCC3(CC2)OC[C@H](C)O3)sc1C ZINC000088600934 363911413 /nfs/dbraw/zinc/91/14/13/363911413.db2.gz SPTXRVBBDISNFX-JTQLQIEISA-N 1 1 282.409 2.487 50 0 CEAAMO C[C@H]([NH2+]C1CN(C(=O)OC(C)(C)C)C1)c1ccc(F)cn1 ZINC000092766952 364106382 /nfs/dbraw/zinc/10/63/82/364106382.db2.gz BDGXTRRLGPQWQP-JTQLQIEISA-N 1 1 295.358 2.491 50 0 CEAAMO COC(=O)[C@@]1(C)CC[N@@H+](Cc2ccc(OC)s2)C1 ZINC000093814116 364231336 /nfs/dbraw/zinc/23/13/36/364231336.db2.gz UASGVIORLTUPMO-ZDUSSCGKSA-N 1 1 269.366 2.142 50 0 CEAAMO COCCN1CC[N@@H+](C[C@H]2CCCC(F)(F)C2)C[C@@H]1C ZINC000240225365 370778477 /nfs/dbraw/zinc/77/84/77/370778477.db2.gz DHMBFZWXRMMKMD-KBPBESRZSA-N 1 1 290.398 2.464 50 0 CEAAMO CCn1nccc1CC[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000240912294 370780765 /nfs/dbraw/zinc/78/07/65/370780765.db2.gz IXEGGOLWTUAIEP-HUUCEWRRSA-N 1 1 263.385 2.089 50 0 CEAAMO COCC[N@H+]1CC[C@@H](c2ncnn2C2CCCCC2)C1 ZINC000095382276 364353381 /nfs/dbraw/zinc/35/33/81/364353381.db2.gz XGXXBKAGUXBZFJ-CYBMUJFWSA-N 1 1 278.400 2.219 50 0 CEAAMO C[N@H+]1CCCC[C@H]1CCC(=O)NCCc1ccc(O)cc1 ZINC000095386741 364354189 /nfs/dbraw/zinc/35/41/89/364354189.db2.gz NBVHQERAPLNDQI-HNNXBMFYSA-N 1 1 290.407 2.315 50 0 CEAAMO C[N@H+]1CCCC[C@@H]1CCC(=O)NCc1ccc(O)cc1 ZINC000095388721 364354538 /nfs/dbraw/zinc/35/45/38/364354538.db2.gz XPZHKYGWIYIRFM-CQSZACIVSA-N 1 1 276.380 2.273 50 0 CEAAMO Clc1cnccc1C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000095410519 364362639 /nfs/dbraw/zinc/36/26/39/364362639.db2.gz ZBHNTANJICQDAS-CYBMUJFWSA-N 1 1 252.745 2.347 50 0 CEAAMO COc1cccc(CNC(=O)Cn2cc[nH+]c2C(C)C)c1 ZINC000095444430 364381143 /nfs/dbraw/zinc/38/11/43/364381143.db2.gz DZZGDGGWSLJXBN-UHFFFAOYSA-N 1 1 287.363 2.332 50 0 CEAAMO c1c[nH]c(CN2C[C@H]3CC[C@H](C[N@@H+]3CC3CCC3)C2)n1 ZINC000095374967 364351320 /nfs/dbraw/zinc/35/13/20/364351320.db2.gz OIGYKESVECEBQR-LSDHHAIUSA-N 1 1 274.412 2.106 50 0 CEAAMO C[N@@H+](CCc1ccncc1)C[C@H](O)c1ccccc1F ZINC000097051056 364435780 /nfs/dbraw/zinc/43/57/80/364435780.db2.gz PYHLXTSMLODKAB-INIZCTEOSA-N 1 1 274.339 2.429 50 0 CEAAMO CCOc1cc(NCCc2cn3c([nH+]2)CCCC3)ncn1 ZINC000097095477 364447092 /nfs/dbraw/zinc/44/70/92/364447092.db2.gz MIGNNKGLKTUNPM-UHFFFAOYSA-N 1 1 287.367 2.063 50 0 CEAAMO CCNC(=O)CNc1cc(C)[nH+]c2c(OC)cccc12 ZINC000097102985 364450674 /nfs/dbraw/zinc/45/06/74/364450674.db2.gz BGHYPOZMNWXTFT-UHFFFAOYSA-N 1 1 273.336 2.100 50 0 CEAAMO C[N@@H+](CCSc1nnc(N)s1)Cc1ccc(F)cc1 ZINC000097139617 364460660 /nfs/dbraw/zinc/46/06/60/364460660.db2.gz PGZIOWLOOIFAKW-UHFFFAOYSA-N 1 1 298.412 2.484 50 0 CEAAMO CN(Cc1cnc[nH]1)Cc1ccccc1C[NH+](C)C ZINC000097758045 364519534 /nfs/dbraw/zinc/51/95/34/364519534.db2.gz UNJHTNILTYVCKD-UHFFFAOYSA-N 1 1 258.369 2.103 50 0 CEAAMO CCNC(=O)[C@@H]1CCCN(c2cc[nH+]cc2Cl)C1 ZINC000098018570 364521827 /nfs/dbraw/zinc/52/18/27/364521827.db2.gz FREXMYORCGESLV-SNVBAGLBSA-N 1 1 267.760 2.088 50 0 CEAAMO CCOC(=O)N1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000098018568 364522684 /nfs/dbraw/zinc/52/26/84/364522684.db2.gz FZLUPZWYEBBKKH-UHFFFAOYSA-N 1 1 269.732 2.014 50 0 CEAAMO C1CC1c1nsc(N2C[C@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)n1 ZINC000241124244 370782305 /nfs/dbraw/zinc/78/23/05/370782305.db2.gz JGQNPBPDGGRKOD-UPJWGTAASA-N 1 1 290.436 2.336 50 0 CEAAMO Cc1cc(C)c(CNC(=O)C[N@H+](C)C2CCCC2)cn1 ZINC000243885715 370790628 /nfs/dbraw/zinc/79/06/28/370790628.db2.gz ABUBQVOFNCSQFB-UHFFFAOYSA-N 1 1 275.396 2.189 50 0 CEAAMO Cc1cccc(NC(=O)C[NH+]2CCC3(CCO3)CC2)c1 ZINC000244605583 370792254 /nfs/dbraw/zinc/79/22/54/370792254.db2.gz FBHCUZNLIGBYIB-UHFFFAOYSA-N 1 1 274.364 2.188 50 0 CEAAMO CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC000242048006 370785165 /nfs/dbraw/zinc/78/51/65/370785165.db2.gz VRYLQHYDCAPZFP-OWCLPIDISA-N 1 1 287.407 2.176 50 0 CEAAMO Cc1nnc([C@@H]2CCC[N@@H+](CCc3csc(C)n3)C2)[nH]1 ZINC000244742243 370798347 /nfs/dbraw/zinc/79/83/47/370798347.db2.gz OEIDJQURNNGNKP-GFCCVEGCSA-N 1 1 291.424 2.300 50 0 CEAAMO Cc1n[nH]c([C@@H]2CCC[N@@H+](CCc3csc(C)n3)C2)n1 ZINC000244742243 370798350 /nfs/dbraw/zinc/79/83/50/370798350.db2.gz OEIDJQURNNGNKP-GFCCVEGCSA-N 1 1 291.424 2.300 50 0 CEAAMO Cc1n[nH]c([C@@H]2CCC[N@H+](CCc3csc(C)n3)C2)n1 ZINC000244742243 370798354 /nfs/dbraw/zinc/79/83/54/370798354.db2.gz OEIDJQURNNGNKP-GFCCVEGCSA-N 1 1 291.424 2.300 50 0 CEAAMO Cc1nc([C@@H]2CCC[N@H+](CCc3csc(C)n3)C2)n[nH]1 ZINC000244742243 370798357 /nfs/dbraw/zinc/79/83/57/370798357.db2.gz OEIDJQURNNGNKP-GFCCVEGCSA-N 1 1 291.424 2.300 50 0 CEAAMO Cc1nc([C@@H]2CCC[N@@H+](CCc3csc(C)n3)C2)n[nH]1 ZINC000244742243 370798362 /nfs/dbraw/zinc/79/83/62/370798362.db2.gz OEIDJQURNNGNKP-GFCCVEGCSA-N 1 1 291.424 2.300 50 0 CEAAMO CO[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)c(C)c2)C1 ZINC000244872770 370801386 /nfs/dbraw/zinc/80/13/86/370801386.db2.gz WEBFNWRWKGEIOE-GFCCVEGCSA-N 1 1 282.771 2.308 50 0 CEAAMO CO[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)c(C)c2)C1 ZINC000244872770 370801390 /nfs/dbraw/zinc/80/13/90/370801390.db2.gz WEBFNWRWKGEIOE-GFCCVEGCSA-N 1 1 282.771 2.308 50 0 CEAAMO COc1ccc(CC[N@@H+](C)C[C@H]2CC[NH+](C)C2)cc1OC ZINC000244716218 370796179 /nfs/dbraw/zinc/79/61/79/370796179.db2.gz LKSWHIGMAPQIBN-OAHLLOKOSA-N 1 1 292.423 2.130 50 0 CEAAMO COc1ccc(CC[N@H+](C)C[C@H]2CCN(C)C2)cc1OC ZINC000244716218 370796188 /nfs/dbraw/zinc/79/61/88/370796188.db2.gz LKSWHIGMAPQIBN-OAHLLOKOSA-N 1 1 292.423 2.130 50 0 CEAAMO COc1ccc(CC[N@@H+](C)C[C@H]2CCN(C)C2)cc1OC ZINC000244716218 370796192 /nfs/dbraw/zinc/79/61/92/370796192.db2.gz LKSWHIGMAPQIBN-OAHLLOKOSA-N 1 1 292.423 2.130 50 0 CEAAMO C[N@@H+](CCc1ccncc1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000245316902 370807920 /nfs/dbraw/zinc/80/79/20/370807920.db2.gz LDSCAQDRHYDILB-RBSFLKMASA-N 1 1 260.381 2.369 50 0 CEAAMO Cc1cccc([C@H](O)C[NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)c1 ZINC000245338893 370809125 /nfs/dbraw/zinc/80/91/25/370809125.db2.gz PBRCDWOEHACFRP-YALNPMBYSA-N 1 1 276.424 2.347 50 0 CEAAMO C[C@H](C[N@@H+]1CCN2C(=O)NC[C@@H]2C1)c1cccc(Cl)c1 ZINC000170087078 367376312 /nfs/dbraw/zinc/37/63/12/367376312.db2.gz OPJOLLJZURXOPC-BXUZGUMPSA-N 1 1 293.798 2.153 50 0 CEAAMO C[C@H](C[N@H+]1CCN2C(=O)NC[C@@H]2C1)c1cccc(Cl)c1 ZINC000170087078 367376315 /nfs/dbraw/zinc/37/63/15/367376315.db2.gz OPJOLLJZURXOPC-BXUZGUMPSA-N 1 1 293.798 2.153 50 0 CEAAMO CC(C)(C)[C@@H]([NH2+]Cc1cc(F)ccc1Cl)C(N)=O ZINC000189184844 369472329 /nfs/dbraw/zinc/47/23/29/369472329.db2.gz MRIBHDGWSRDLFL-NSHDSACASA-N 1 1 272.751 2.469 50 0 CEAAMO CC(C)CC[NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1 ZINC000190782572 369652085 /nfs/dbraw/zinc/65/20/85/369652085.db2.gz UGHVEFQBWIHWPZ-CVEARBPZSA-N 1 1 268.445 2.390 50 0 CEAAMO CC(C)CC[NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1 ZINC000190782587 369652240 /nfs/dbraw/zinc/65/22/40/369652240.db2.gz UGHVEFQBWIHWPZ-HOTGVXAUSA-N 1 1 268.445 2.390 50 0 CEAAMO C[C@H]([NH2+][C@@H]1CCO[C@H]1C)c1nc(Cc2ccccc2)no1 ZINC000191601622 369726692 /nfs/dbraw/zinc/72/66/92/369726692.db2.gz QTQOADOKJQDCKE-SGMGOOAPSA-N 1 1 287.363 2.488 50 0 CEAAMO COc1ccc(-c2noc([C@H]3CCn4cc[nH+]c4C3)n2)cn1 ZINC000193189778 369902921 /nfs/dbraw/zinc/90/29/21/369902921.db2.gz SSWZXFJMEBTHOZ-JTQLQIEISA-N 1 1 297.318 2.067 50 0 CEAAMO C[C@@H](c1cccc(F)c1)[NH+]1CCN(Cc2c[nH]cn2)CC1 ZINC000193385340 369936116 /nfs/dbraw/zinc/93/61/16/369936116.db2.gz IVRGGVPBSLWXHR-ZDUSSCGKSA-N 1 1 288.370 2.428 50 0 CEAAMO CC(C)Cc1ccc(C[N@H+]2CCN(C)[C@H](CO)C2)s1 ZINC000215135249 370172729 /nfs/dbraw/zinc/17/27/29/370172729.db2.gz AIYDSVSPFKUBML-ZDUSSCGKSA-N 1 1 282.453 2.055 50 0 CEAAMO C[N@H+](Cc1cc2ccccc2o1)C[C@@H]1COCCO1 ZINC000215149567 370173095 /nfs/dbraw/zinc/17/30/95/370173095.db2.gz CEYHRMQAYOPYPQ-CQSZACIVSA-N 1 1 261.321 2.280 50 0 CEAAMO COC[C@H](C)[N@H+]1CC[C@H](CN(C)Cc2scnc2C)C1 ZINC000195265801 370120927 /nfs/dbraw/zinc/12/09/27/370120927.db2.gz YNXQRIALMNTBIF-GXTWGEPZSA-N 1 1 297.468 2.240 50 0 CEAAMO CC(C)Cc1ccc(C[NH+]2CCN(CCCO)CC2)s1 ZINC000216138409 370184130 /nfs/dbraw/zinc/18/41/30/370184130.db2.gz GWTVTWYRCGAOTB-UHFFFAOYSA-N 1 1 296.480 2.447 50 0 CEAAMO CC(F)(F)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000225838279 370322106 /nfs/dbraw/zinc/32/21/06/370322106.db2.gz QAZGCPNSWHSQDI-LBPRGKRZSA-N 1 1 268.307 2.032 50 0 CEAAMO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2nnnn2C)cc1C ZINC000225535441 370302461 /nfs/dbraw/zinc/30/24/61/370302461.db2.gz RHNHSFOFZJBPRY-RYUDHWBXSA-N 1 1 259.357 2.239 50 0 CEAAMO O=C1OCC[C@@H]1[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000229351222 370423363 /nfs/dbraw/zinc/42/33/63/370423363.db2.gz ONRYGBIEERITNQ-OCCSQVGLSA-N 1 1 277.389 2.416 50 0 CEAAMO O=C1OCC[C@@H]1[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000229351222 370423370 /nfs/dbraw/zinc/42/33/70/370423370.db2.gz 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292.427 2.160 50 0 CEAAMO Cc1cnc(CN2CC[N@H+](C)CC23CCCCC3)cn1 ZINC000079020242 394629350 /nfs/dbraw/zinc/62/93/50/394629350.db2.gz MOXAHGBPJUCISD-UHFFFAOYSA-N 1 1 274.412 2.235 50 0 CEAAMO C[C@@H]1CCC[C@H](CO)[N@H+]1Cc1ccncc1Cl ZINC000095999302 394675310 /nfs/dbraw/zinc/67/53/10/394675310.db2.gz XVBCDIIVPMUGPY-ZYHUDNBSSA-N 1 1 254.761 2.470 50 0 CEAAMO CC(C)OC[C@@H](O)C[N@H+]1CCc2sccc2[C@@H]1C ZINC000170599669 395092271 /nfs/dbraw/zinc/09/22/71/395092271.db2.gz FNEDCIMOVBPDGM-RYUDHWBXSA-N 1 1 269.410 2.453 50 0 CEAAMO C[C@](O)(C[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1)C(F)(F)F ZINC000352441121 395254210 /nfs/dbraw/zinc/25/42/10/395254210.db2.gz STAKTWAUAYPQDH-SRVKXCTJSA-N 1 1 293.329 2.333 50 0 CEAAMO OC[C@H]1CN(c2cc[nH+]c3ccc(Cl)cc32)CC[C@@H]1O ZINC000519750240 395218746 /nfs/dbraw/zinc/21/87/46/395218746.db2.gz DRYMEKOBGUJDCY-BMIGLBTASA-N 1 1 292.766 2.068 50 0 CEAAMO C[N@H+]1CC[C@@H](NC(=O)Nc2cccc3cccnc32)C1 ZINC000049211182 400225809 /nfs/dbraw/zinc/22/58/09/400225809.db2.gz 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GDJVFDVAVBIOHO-DGCLKSJQSA-N 1 1 285.384 2.048 50 0 CEAAMO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1CCS(C)(=O)=O ZINC000076810634 177103189 /nfs/dbraw/zinc/10/31/89/177103189.db2.gz GDJVFDVAVBIOHO-WCQYABFASA-N 1 1 285.384 2.048 50 0 CEAAMO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CCS(C)(=O)=O ZINC000076810634 177103191 /nfs/dbraw/zinc/10/31/91/177103191.db2.gz GDJVFDVAVBIOHO-WCQYABFASA-N 1 1 285.384 2.048 50 0 CEAAMO C[N@H+]1CC[C@H]2CN(C(=O)CCc3ccccc3Cl)C[C@H]21 ZINC000077322494 177252703 /nfs/dbraw/zinc/25/27/03/177252703.db2.gz BNYREURBRJDLKM-DZGCQCFKSA-N 1 1 292.810 2.435 50 0 CEAAMO CC(C)n1cnnc1[C@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000065287907 276088067 /nfs/dbraw/zinc/08/80/67/276088067.db2.gz RZTLWQHUHMSRBA-ZDUSSCGKSA-N 1 1 278.400 2.217 50 0 CEAAMO COc1nc(C(=O)N2CC[N@H+](C)C[C@@H]2C)cc2ccccc21 ZINC000089938441 278079863 /nfs/dbraw/zinc/07/98/63/278079863.db2.gz RSTVKEAACDFZHA-LBPRGKRZSA-N 1 1 299.374 2.020 50 0 CEAAMO COc1nc(C(=O)N2CC[N@@H+](C)C[C@@H]2C)cc2ccccc21 ZINC000089938441 278079864 /nfs/dbraw/zinc/07/98/64/278079864.db2.gz RSTVKEAACDFZHA-LBPRGKRZSA-N 1 1 299.374 2.020 50 0 CEAAMO CC(C)(C)OC(=O)N1CCC[C@H]([N@@H+]2CCOC(C)(C)C2)C1 ZINC000095457043 278394216 /nfs/dbraw/zinc/39/42/16/278394216.db2.gz PRQDUYRDZJHBNP-ZDUSSCGKSA-N 1 1 298.427 2.497 50 0 CEAAMO CC(C)(C)OC(=O)N1CCC[C@H]([N@H+]2CCOC(C)(C)C2)C1 ZINC000095457043 278394218 /nfs/dbraw/zinc/39/42/18/278394218.db2.gz PRQDUYRDZJHBNP-ZDUSSCGKSA-N 1 1 298.427 2.497 50 0 CEAAMO CC[N@H+]1CCC[C@@](O)(CN2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000226109807 279315540 /nfs/dbraw/zinc/31/55/40/279315540.db2.gz TYWJQZWQSUJJSI-OLZOCXBDSA-N 1 1 294.361 2.108 50 0 CEAAMO CCN1CCC[C@@](O)(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000226109807 279315541 /nfs/dbraw/zinc/31/55/41/279315541.db2.gz TYWJQZWQSUJJSI-OLZOCXBDSA-N 1 1 294.361 2.108 50 0 CEAAMO CCN1CCC[C@@](O)(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000226109807 279315542 /nfs/dbraw/zinc/31/55/42/279315542.db2.gz TYWJQZWQSUJJSI-OLZOCXBDSA-N 1 1 294.361 2.108 50 0 CEAAMO C[NH+](C)C1(c2nnnn2-c2ccccc2)CCCCC1 ZINC000022436339 282046736 /nfs/dbraw/zinc/04/67/36/282046736.db2.gz HLEWSKFHWWGKOV-UHFFFAOYSA-N 1 1 271.368 2.383 50 0 CEAAMO C[N@@H+]1C[C@H]2CN(C(=O)C3(c4ccccc4)CCC3)C[C@H]2C1 ZINC000192507489 290283048 /nfs/dbraw/zinc/28/30/48/290283048.db2.gz RFONPBWGAGPRKX-GASCZTMLSA-N 1 1 284.403 2.128 50 0 CEAAMO Cc1ccccc1[C@H]1C[C@H](C)[N@H+](CCS(C)(=O)=O)C1 ZINC000076388179 302223962 /nfs/dbraw/zinc/22/39/62/302223962.db2.gz BVHGEAJPVKRCLO-KBPBESRZSA-N 1 1 281.421 2.217 50 0 CEAAMO Cc1nc(-c2ccc([C@H](C)[NH+]3CCOCC3)cc2)n(C)n1 ZINC000534652369 328338000 /nfs/dbraw/zinc/33/80/00/328338000.db2.gz RXQRQWXCHFTSAC-LBPRGKRZSA-N 1 1 286.379 2.184 50 0 CEAAMO O=C1C[C@@H]([NH+]2CCCC2)C(=O)N1c1cccc(Cl)c1 ZINC000004897650 326812861 /nfs/dbraw/zinc/81/28/61/326812861.db2.gz FHDRZFSNTPGTBT-GFCCVEGCSA-N 1 1 278.739 2.068 50 0 CEAAMO Cc1[nH]c2ccccc2c1CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC000362751116 330397762 /nfs/dbraw/zinc/39/77/62/330397762.db2.gz 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/nfs/dbraw/zinc/92/85/35/625928535.db2.gz BLQDUOONFAFAOR-MRXNPFEDSA-N 1 1 283.375 2.191 50 0 CEAAMO C[N@@H+](C1CCOCC1)C1CCN(Cc2cccnc2)CC1 ZINC000169792689 639637958 /nfs/dbraw/zinc/63/79/58/639637958.db2.gz ZYMMLBDXOYQDBH-UHFFFAOYSA-N 1 1 289.423 2.157 50 0 CEAAMO C[C@@H]1CCC[C@@]1(O)C[NH2+][C@@H](c1ncc[nH]1)c1cccnc1 ZINC000952876721 815073254 /nfs/dbraw/zinc/07/32/54/815073254.db2.gz VEJDZFFBSYDBCT-XNRPHZJLSA-N 1 1 286.379 2.035 50 0 CEAAMO CC(C)=CCC[N@H+]1CCC[C@H](CNC(=O)c2ccon2)C1 ZINC000820538502 810553720 /nfs/dbraw/zinc/55/37/20/810553720.db2.gz AGMHNLPJFDHZAJ-CQSZACIVSA-N 1 1 291.395 2.473 50 0 CEAAMO CCOC(=O)N1CC[C@H]([N@H+]2CCCC3(CCOCC3)C2)C1 ZINC000823241530 810609627 /nfs/dbraw/zinc/60/96/27/810609627.db2.gz MAFWSQKFIVXKSB-AWEZNQCLSA-N 1 1 296.411 2.110 50 0 CEAAMO Cc1nc(-c2cccc(NC(=O)[C@@]3(C)CC[N@H+](C)C3)c2)n[nH]1 ZINC000823754924 810626369 /nfs/dbraw/zinc/62/63/69/810626369.db2.gz BAVSZQYUHLEYTF-INIZCTEOSA-N 1 1 299.378 2.060 50 0 CEAAMO CN(C)C1(CNc2ncccc2Cl)CC[NH+](C)CC1 ZINC000823759378 810627651 /nfs/dbraw/zinc/62/76/51/810627651.db2.gz CQKCHXILBWEXHD-UHFFFAOYSA-N 1 1 282.819 2.173 50 0 CEAAMO Cc1nc(NCCc2[nH]cc[nH+]2)nc2c1CCCC2 ZINC000825268978 810714745 /nfs/dbraw/zinc/71/47/45/810714745.db2.gz DVDNNDAWKROFEV-UHFFFAOYSA-N 1 1 257.341 2.042 50 0 CEAAMO Fc1cccc([C@@]2(C[N@H+]3CCCOCC3)CCOC2)c1 ZINC000020407066 810777912 /nfs/dbraw/zinc/77/79/12/810777912.db2.gz ZBDCVDQUUUMDKB-MRXNPFEDSA-N 1 1 279.355 2.206 50 0 CEAAMO Cc1nnc([C@@H](C)[NH2+]Cc2ccc(-n3ccnc3)cc2)[nH]1 ZINC000392350907 813301475 /nfs/dbraw/zinc/30/14/75/813301475.db2.gz PLRZYSKUVXORSL-LLVKDONJSA-N 1 1 282.351 2.150 50 0 CEAAMO Cc1nc(C[NH+]2CCC(CCN3CCCC3=O)CC2)co1 ZINC000077406946 813843250 /nfs/dbraw/zinc/84/32/50/813843250.db2.gz ZTBJRLMJSVMACK-UHFFFAOYSA-N 1 1 291.395 2.208 50 0 CEAAMO O=C1C[C@H](c2ccccc2)[N@@H+](Cc2cccnc2)CCN1 ZINC000098009404 230389536 /nfs/dbraw/zinc/38/95/36/230389536.db2.gz OOFZXXQWGHFOLH-MRXNPFEDSA-N 1 1 281.359 2.145 50 0 CEAAMO O[C@@H]1CCOC[C@H]1Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000220527060 230397676 /nfs/dbraw/zinc/39/76/76/230397676.db2.gz XVQOVJADPLNSKM-ZIAGYGMSSA-N 1 1 278.739 2.450 50 0 CEAAMO C[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(F)cc2F)C1 ZINC000095948180 185038543 /nfs/dbraw/zinc/03/85/43/185038543.db2.gz BWIXQJMYGYSREO-VIFPVBQESA-N 1 1 269.295 2.038 50 0 CEAAMO Cn1cc(C[N@@H+](CCc2ccccc2)[C@@H]2CCOC2)cn1 ZINC000095964446 185044310 /nfs/dbraw/zinc/04/43/10/185044310.db2.gz FJIFVFODVSDMMV-QGZVFWFLSA-N 1 1 285.391 2.254 50 0 CEAAMO Cc1cc[nH+]c(N2CCC([C@H](O)c3nccn3C)CC2)c1 ZINC000032550999 361742601 /nfs/dbraw/zinc/74/26/01/361742601.db2.gz WDPGKBDAPIFQCR-HNNXBMFYSA-N 1 1 286.379 2.074 50 0 CEAAMO Cc1cc(NCc2ccnc(-n3cccn3)c2)nc(C)[nH+]1 ZINC000032825015 361758752 /nfs/dbraw/zinc/75/87/52/361758752.db2.gz AYAAABJHAXESMF-UHFFFAOYSA-N 1 1 280.335 2.286 50 0 CEAAMO CC(C)=CC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000032903913 361764560 /nfs/dbraw/zinc/76/45/60/361764560.db2.gz TWGUMKUFWFANQJ-UHFFFAOYSA-N 1 1 288.391 2.101 50 0 CEAAMO CC(C)(C)C[NH+]1CCN(C(=O)c2ccco2)CC1 ZINC000036125462 361829621 /nfs/dbraw/zinc/82/96/21/361829621.db2.gz AXQMWHJDKBHBBG-UHFFFAOYSA-N 1 1 250.342 2.084 50 0 CEAAMO O=C(C[N@@H+]1CCC[C@@H]1c1ccsc1)NC[C@@H]1CCCO1 ZINC000036393239 361845032 /nfs/dbraw/zinc/84/50/32/361845032.db2.gz NAKIUCUQXAMMLJ-UONOGXRCSA-N 1 1 294.420 2.180 50 0 CEAAMO O=C(C[N@H+]1CCC[C@@H]1c1ccsc1)NC[C@@H]1CCCO1 ZINC000036393239 361845033 /nfs/dbraw/zinc/84/50/33/361845033.db2.gz NAKIUCUQXAMMLJ-UONOGXRCSA-N 1 1 294.420 2.180 50 0 CEAAMO CS[C@@H]1CC[N@@H+](Cc2cnc(N(C)C)s2)C1 ZINC000294971949 199276841 /nfs/dbraw/zinc/27/68/41/199276841.db2.gz FTPDFOBMTBJFGK-SECBINFHSA-N 1 1 257.428 2.146 50 0 CEAAMO COc1ccc(COCC[N@H+]2CCC[C@H]([C@@H](C)O)C2)cc1 ZINC000097022360 185154011 /nfs/dbraw/zinc/15/40/11/185154011.db2.gz HKKJWIHPGVAMET-ZBFHGGJFSA-N 1 1 293.407 2.305 50 0 CEAAMO Cc1cc(Br)ccc1C[N@H+]1CC[C@@H](C(N)=O)C1 ZINC000097032520 185155641 /nfs/dbraw/zinc/15/56/41/185155641.db2.gz PNKPAGYLOSNYMB-LLVKDONJSA-N 1 1 297.196 2.065 50 0 CEAAMO C[NH+]1CCN(C(=O)C2(c3cccc(Cl)c3)CC2)CC1 ZINC000041501371 362037466 /nfs/dbraw/zinc/03/74/66/362037466.db2.gz GSDIYHHIDLSNRE-UHFFFAOYSA-N 1 1 278.783 2.146 50 0 CEAAMO C[NH+](C)[C@@H](CNc1ncnc2[nH]cnc21)c1cccs1 ZINC000041025916 362013906 /nfs/dbraw/zinc/01/39/06/362013906.db2.gz QPMORPPVMOTUEY-VIFPVBQESA-N 1 1 288.380 2.129 50 0 CEAAMO CC[C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000041888566 362051450 /nfs/dbraw/zinc/05/14/50/362051450.db2.gz XGODGUYVNNRGDD-DZGCQCFKSA-N 1 1 260.381 2.423 50 0 CEAAMO CC(C)N1CCC([NH2+]Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000042911929 362128404 /nfs/dbraw/zinc/12/84/04/362128404.db2.gz QPIUNEYOQQDCDP-UHFFFAOYSA-N 1 1 299.422 2.434 50 0 CEAAMO c1[nH]nc2c1CN(CC[N@H+]1CC[C@H](c3ccccc3)C1)CC2 ZINC000043103026 362136850 /nfs/dbraw/zinc/13/68/50/362136850.db2.gz KCABKAVUWOSPTD-INIZCTEOSA-N 1 1 296.418 2.257 50 0 CEAAMO C[N@@H+](Cc1cc(C(F)(F)F)n[nH]1)C[C@H]1CCCO1 ZINC000019220968 343373821 /nfs/dbraw/zinc/37/38/21/343373821.db2.gz 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Clc1ccc(N2CC[NH+](Cc3ccncc3)CC2)nc1 ZINC000071912117 363119422 /nfs/dbraw/zinc/11/94/22/363119422.db2.gz PZZOWWOJCGGMIP-UHFFFAOYSA-N 1 1 288.782 2.452 50 0 CEAAMO CC(=O)OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1F ZINC000072267120 363124259 /nfs/dbraw/zinc/12/42/59/363124259.db2.gz CWEKHZVBALBRRP-GJZGRUSLSA-N 1 1 265.328 2.410 50 0 CEAAMO Nc1cc(N[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)ncn1 ZINC000072421282 363134115 /nfs/dbraw/zinc/13/41/15/363134115.db2.gz ZTNKSCUCTBGMHC-OAHLLOKOSA-N 1 1 297.406 2.178 50 0 CEAAMO Cc1cc2nc(C)cc(N3CC[C@@H]4CC[C@H](C3)[N@H+]4C)n2n1 ZINC000072436711 363135461 /nfs/dbraw/zinc/13/54/61/363135461.db2.gz ZDXVBEXAFXKGNQ-UONOGXRCSA-N 1 1 285.395 2.019 50 0 CEAAMO CNC(=O)c1ccc(C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)cc1 ZINC000075894418 363497475 /nfs/dbraw/zinc/49/74/75/363497475.db2.gz QWQGJYVSJGQVHT-TXEJJXNPSA-N 1 1 278.421 2.372 50 0 CEAAMO CC[C@@](C)([NH2+]CC(=O)NCc1ccco1)c1nccs1 ZINC000076091380 363519661 /nfs/dbraw/zinc/51/96/61/363519661.db2.gz SJGQSPABBSZTAY-CQSZACIVSA-N 1 1 293.392 2.267 50 0 CEAAMO COCCOC[C@H]1CC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC000076089611 363519671 /nfs/dbraw/zinc/51/96/71/363519671.db2.gz NWDUEWPPEFHVPG-ZDUSSCGKSA-N 1 1 284.787 2.220 50 0 CEAAMO CCN1CCC([NH2+]CCc2nc3ccccc3o2)CC1 ZINC000670435276 540407650 /nfs/dbraw/zinc/40/76/50/540407650.db2.gz PAKGBSZDIPJAFV-UHFFFAOYSA-N 1 1 273.380 2.444 50 0 CEAAMO CO[C@@H]1CC[N@@H+](CCC(=O)NC2CCCCCCC2)C1 ZINC000670433919 540406497 /nfs/dbraw/zinc/40/64/97/540406497.db2.gz CYXYHDYUEQEBDO-OAHLLOKOSA-N 1 1 282.428 2.326 50 0 CEAAMO CSCC(=O)NC[C@@H](c1ccccc1F)[NH+]1CCCC1 ZINC000670437077 540408776 /nfs/dbraw/zinc/40/87/76/540408776.db2.gz WQFFTUVNDLZIAV-AWEZNQCLSA-N 1 1 296.411 2.442 50 0 CEAAMO COc1c(F)cccc1C[N@@H+]1CCc2n[nH]c(C)c2C1 ZINC000670472588 540429606 /nfs/dbraw/zinc/42/96/06/540429606.db2.gz PMLSFRDXSRLODP-UHFFFAOYSA-N 1 1 275.327 2.424 50 0 CEAAMO COc1c(F)cccc1C[N@H+]1CCc2n[nH]c(C)c2C1 ZINC000670472588 540429609 /nfs/dbraw/zinc/42/96/09/540429609.db2.gz PMLSFRDXSRLODP-UHFFFAOYSA-N 1 1 275.327 2.424 50 0 CEAAMO COc1c(F)cccc1C[N@@H+]1CCc2[nH]nc(C)c2C1 ZINC000670472588 540429612 /nfs/dbraw/zinc/42/96/12/540429612.db2.gz PMLSFRDXSRLODP-UHFFFAOYSA-N 1 1 275.327 2.424 50 0 CEAAMO COc1c(F)cccc1C[N@H+]1CCc2[nH]nc(C)c2C1 ZINC000670472588 540429617 /nfs/dbraw/zinc/42/96/17/540429617.db2.gz PMLSFRDXSRLODP-UHFFFAOYSA-N 1 1 275.327 2.424 50 0 CEAAMO CCCOCC[N@H+]1CCC[C@@H](c2nccn2C)C1 ZINC000082098027 363750372 /nfs/dbraw/zinc/75/03/72/363750372.db2.gz NOAITSDLGOQSOO-CYBMUJFWSA-N 1 1 251.374 2.026 50 0 CEAAMO C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2F)C[C@H](C)O1 ZINC000013154064 361420538 /nfs/dbraw/zinc/42/05/38/361420538.db2.gz JWQSBGYFIJATBJ-TXEJJXNPSA-N 1 1 280.343 2.264 50 0 CEAAMO CCNC(=O)C[N@@H+]1CCc2sccc2[C@@H]1CC ZINC000016420427 361489200 /nfs/dbraw/zinc/48/92/00/361489200.db2.gz AQPZLGHLSWVSEY-NSHDSACASA-N 1 1 252.383 2.193 50 0 CEAAMO CCNC(=O)C[N@H+]1CCc2sccc2[C@@H]1CC ZINC000016420427 361489203 /nfs/dbraw/zinc/48/92/03/361489203.db2.gz AQPZLGHLSWVSEY-NSHDSACASA-N 1 1 252.383 2.193 50 0 CEAAMO CC[N@@H+]1CCc2c(sc3[nH]c(=S)nc(N)c23)C1 ZINC000018202288 361516731 /nfs/dbraw/zinc/51/67/31/361516731.db2.gz UFCNHUUDRQJFJT-UHFFFAOYSA-N 1 1 266.395 2.314 50 0 CEAAMO CC[N@H+]1CCc2c(sc3[nH]c(=S)nc(N)c23)C1 ZINC000018202288 361516735 /nfs/dbraw/zinc/51/67/35/361516735.db2.gz UFCNHUUDRQJFJT-UHFFFAOYSA-N 1 1 266.395 2.314 50 0 CEAAMO Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)n1C ZINC000023652907 361601679 /nfs/dbraw/zinc/60/16/79/361601679.db2.gz ZDHRHZNXUDWVRG-UHFFFAOYSA-N 1 1 297.402 2.292 50 0 CEAAMO CC(C)c1cc(NC(=O)C[N@@H+]2CCC[C@H](C)C2)on1 ZINC000024215982 361608185 /nfs/dbraw/zinc/60/81/85/361608185.db2.gz YARCPWAIROKJRL-NSHDSACASA-N 1 1 265.357 2.468 50 0 CEAAMO CC(C)c1cc(NC(=O)C[N@H+]2CCC[C@H](C)C2)on1 ZINC000024215982 361608188 /nfs/dbraw/zinc/60/81/88/361608188.db2.gz YARCPWAIROKJRL-NSHDSACASA-N 1 1 265.357 2.468 50 0 CEAAMO CCOc1ccc(C[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000022779369 361588050 /nfs/dbraw/zinc/58/80/50/361588050.db2.gz SEQCAJNDGCMOKL-UHFFFAOYSA-N 1 1 298.390 2.198 50 0 CEAAMO COC[C@H](C)NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000025360397 361624101 /nfs/dbraw/zinc/62/41/01/361624101.db2.gz PXNFAORLBWFOLE-SWLSCSKDSA-N 1 1 294.370 2.114 50 0 CEAAMO COC[C@H](C)NC(=O)C[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000025360397 361624108 /nfs/dbraw/zinc/62/41/08/361624108.db2.gz PXNFAORLBWFOLE-SWLSCSKDSA-N 1 1 294.370 2.114 50 0 CEAAMO O=C(CSc1ccccc1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000027932239 361662890 /nfs/dbraw/zinc/66/28/90/361662890.db2.gz CTXKBLVTGZHAJE-ZDUSSCGKSA-N 1 1 276.405 2.085 50 0 CEAAMO CSCC[N@H+](C)CC(=O)Nc1ccccc1F ZINC000089346423 363957634 /nfs/dbraw/zinc/95/76/34/363957634.db2.gz AMZFPILMHHIOJI-UHFFFAOYSA-N 1 1 256.346 2.059 50 0 CEAAMO CSCC[N@@H+](C)CC(=O)Nc1ccccc1F ZINC000089346423 363957638 /nfs/dbraw/zinc/95/76/38/363957638.db2.gz AMZFPILMHHIOJI-UHFFFAOYSA-N 1 1 256.346 2.059 50 0 CEAAMO Cc1cc(C[N@H+](C(C)C)[C@@H]2CCCC[C@@H]2O)on1 ZINC000089606876 363983490 /nfs/dbraw/zinc/98/34/90/363983490.db2.gz DXIZSZCOWHBGKN-KGLIPLIRSA-N 1 1 252.358 2.497 50 0 CEAAMO CN(C)c1cccc(C[N@H+](C)Cc2cc(=O)c(O)co2)c1 ZINC000089922548 364017327 /nfs/dbraw/zinc/01/73/27/364017327.db2.gz WIZZJWMNCCVDDX-UHFFFAOYSA-N 1 1 288.347 2.043 50 0 CEAAMO CN(C)c1cccc(C[N@@H+](C)Cc2cc(=O)c(O)co2)c1 ZINC000089922548 364017336 /nfs/dbraw/zinc/01/73/36/364017336.db2.gz WIZZJWMNCCVDDX-UHFFFAOYSA-N 1 1 288.347 2.043 50 0 CEAAMO CCC[C@@H](C(=O)NC[C@@H](c1cccs1)N(C)C)[NH+](C)C ZINC000089949409 364021271 /nfs/dbraw/zinc/02/12/71/364021271.db2.gz YCXFLUOWONNCGY-STQMWFEESA-N 1 1 297.468 2.197 50 0 CEAAMO CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccsc2)C1 ZINC000092705820 364099267 /nfs/dbraw/zinc/09/92/67/364099267.db2.gz KMYIJTBWDMPYMT-GFCCVEGCSA-N 1 1 252.383 2.239 50 0 CEAAMO Cn1cncc1C[NH2+][C@H]1CCOc2ccc(F)cc21 ZINC000237944681 370761931 /nfs/dbraw/zinc/76/19/31/370761931.db2.gz GNHRNPSADCAJSZ-ZDUSSCGKSA-N 1 1 261.300 2.173 50 0 CEAAMO Cc1ccc(C[N@@H+](CCO)C[C@@H](C)N2CCCC2)s1 ZINC000240517154 370780189 /nfs/dbraw/zinc/78/01/89/370780189.db2.gz NVQMJLJYGHPYQO-CYBMUJFWSA-N 1 1 282.453 2.335 50 0 CEAAMO Cc1ccc(C[N@H+](CCO)C[C@@H](C)N2CCCC2)s1 ZINC000240517154 370780190 /nfs/dbraw/zinc/78/01/90/370780190.db2.gz NVQMJLJYGHPYQO-CYBMUJFWSA-N 1 1 282.453 2.335 50 0 CEAAMO CCc1nsc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000094266980 364263441 /nfs/dbraw/zinc/26/34/41/364263441.db2.gz UUZUHYXUUITTSN-VHSXEESVSA-N 1 1 252.387 2.139 50 0 CEAAMO CC(C)c1cc(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)no1 ZINC000240225348 370778707 /nfs/dbraw/zinc/77/87/07/370778707.db2.gz DHISEZVHHFKWIG-RYUDHWBXSA-N 1 1 277.368 2.155 50 0 CEAAMO C[NH+](C)[C@@H](C(=O)NC1CCC1)c1ccc(F)cc1 ZINC000095391750 364356095 /nfs/dbraw/zinc/35/60/95/364356095.db2.gz JDCGVLOJKHCXHJ-CYBMUJFWSA-N 1 1 250.317 2.097 50 0 CEAAMO C[N@@H+](CCC(=O)Nc1cccc(F)c1)CC1(O)CCCC1 ZINC000095434310 364376051 /nfs/dbraw/zinc/37/60/51/364376051.db2.gz ZNYQHOYHDFONRE-UHFFFAOYSA-N 1 1 294.370 2.391 50 0 CEAAMO CCSCCC(=O)N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC000095451843 364383980 /nfs/dbraw/zinc/38/39/80/364383980.db2.gz SELIOHMDGAJUQI-NWDGAFQWSA-N 1 1 258.431 2.071 50 0 CEAAMO NC(=O)C[C@H]1CCC[N@H+]1Cc1ccccc1Br ZINC000095466746 364388486 /nfs/dbraw/zinc/38/84/86/364388486.db2.gz CEZDQOHXCHXKPQ-LLVKDONJSA-N 1 1 297.196 2.289 50 0 CEAAMO Clc1c[nH+]ccc1NC[C@H]1COC2(CCOCC2)O1 ZINC000095990667 364398456 /nfs/dbraw/zinc/39/84/56/364398456.db2.gz METCFTFDFQSTLF-JTQLQIEISA-N 1 1 284.743 2.069 50 0 CEAAMO CCOCCCNC(=O)[C@H](c1cccc(C)c1)[NH+](C)C ZINC000095365534 364348068 /nfs/dbraw/zinc/34/80/68/364348068.db2.gz IXZJHEGHTRPSCJ-HNNXBMFYSA-N 1 1 278.396 2.141 50 0 CEAAMO C[C@H](C[N@H+]1CC[C@H](C(N)=O)C1)c1cccc(Cl)c1 ZINC000097103875 364451382 /nfs/dbraw/zinc/45/13/82/364451382.db2.gz DZZDEJKGRCLHIJ-PWSUYJOCSA-N 1 1 266.772 2.251 50 0 CEAAMO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N(C)C(C)C)o1 ZINC000097111229 364454699 /nfs/dbraw/zinc/45/46/99/364454699.db2.gz UCWREBXZAZFQIY-NWDGAFQWSA-N 1 1 252.358 2.494 50 0 CEAAMO Cc1noc(C[NH2+][C@@H](C)[C@@H]2COc3ccccc32)n1 ZINC000097112584 364454807 /nfs/dbraw/zinc/45/48/07/364454807.db2.gz RMXNUQXKJWKVFX-CABZTGNLSA-N 1 1 259.309 2.032 50 0 CEAAMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NCc1ncc[nH]1 ZINC000097142212 364463001 /nfs/dbraw/zinc/46/30/01/364463001.db2.gz BYEIDLIPFBAKLB-ZFWWWQNUSA-N 1 1 270.380 2.020 50 0 CEAAMO C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1ncc[nH]1 ZINC000097142212 364463007 /nfs/dbraw/zinc/46/30/07/364463007.db2.gz BYEIDLIPFBAKLB-ZFWWWQNUSA-N 1 1 270.380 2.020 50 0 CEAAMO CC(=O)NC[C@H]1CCC[N@@H+](CCc2ccccc2F)C1 ZINC000097162414 364469188 /nfs/dbraw/zinc/46/91/88/364469188.db2.gz VQKRNIMNCDUFQB-CQSZACIVSA-N 1 1 278.371 2.216 50 0 CEAAMO CCc1nnc(C[NH2+][C@@H](C)[C@@H]2COc3ccccc32)o1 ZINC000097374663 364495814 /nfs/dbraw/zinc/49/58/14/364495814.db2.gz FJCJNMPLKFCEFZ-JQWIXIFHSA-N 1 1 273.336 2.286 50 0 CEAAMO CN(Cc1ccoc1)C(=O)[C@@H](c1cccnc1)[NH+]1CCCC1 ZINC000097757844 364517155 /nfs/dbraw/zinc/51/71/55/364517155.db2.gz KSZRAEVEILSDJR-MRXNPFEDSA-N 1 1 299.374 2.470 50 0 CEAAMO CCSCCC(=O)N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC000241815957 370784793 /nfs/dbraw/zinc/78/47/93/370784793.db2.gz SELIOHMDGAJUQI-VXGBXAGGSA-N 1 1 258.431 2.071 50 0 CEAAMO Cc1cccn2cc(C[N@H+](C)[C@@H](C)Cc3cnccn3)nc12 ZINC000243885701 370790164 /nfs/dbraw/zinc/79/01/64/370790164.db2.gz ABPOCNZEWAVGAT-AWEZNQCLSA-N 1 1 295.390 2.496 50 0 CEAAMO c1n[nH]cc1CC[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000243932492 370790531 /nfs/dbraw/zinc/79/05/31/370790531.db2.gz BWBSMUZCLHVBTM-HNNXBMFYSA-N 1 1 257.337 2.026 50 0 CEAAMO c1n[nH]cc1CC[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000243932492 370790533 /nfs/dbraw/zinc/79/05/33/370790533.db2.gz BWBSMUZCLHVBTM-HNNXBMFYSA-N 1 1 257.337 2.026 50 0 CEAAMO Cc1ccn(CC[N@@H+](CC2CCC2)C[C@@H]2CCCO2)n1 ZINC000244595038 370792475 /nfs/dbraw/zinc/79/24/75/370792475.db2.gz DNMGLWIZBREEGS-INIZCTEOSA-N 1 1 277.412 2.473 50 0 CEAAMO CO[C@@H]1CC[N@H+](Cc2nnc(-c3cccc(F)c3)o2)C1 ZINC000244594065 370793012 /nfs/dbraw/zinc/79/30/12/370793012.db2.gz DFTFOOCABHVMNX-GFCCVEGCSA-N 1 1 277.299 2.096 50 0 CEAAMO CO[C@@H]1CC[N@@H+](Cc2nnc(-c3cccc(F)c3)o2)C1 ZINC000244594065 370793019 /nfs/dbraw/zinc/79/30/19/370793019.db2.gz DFTFOOCABHVMNX-GFCCVEGCSA-N 1 1 277.299 2.096 50 0 CEAAMO COc1ccnc(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)c1 ZINC000244795610 370799255 /nfs/dbraw/zinc/79/92/55/370799255.db2.gz RJRNKIFRDVVTDJ-LBPRGKRZSA-N 1 1 272.352 2.193 50 0 CEAAMO Cc1nc(CC[N@H+](C)[C@@H](C)Cc2cnccn2)cs1 ZINC000244715875 370795940 /nfs/dbraw/zinc/79/59/40/370795940.db2.gz LDWIAUNKURXDAR-NSHDSACASA-N 1 1 276.409 2.347 50 0 CEAAMO CN(Cc1ccc(F)cc1Cl)C(=O)[C@H]1CSC[NH2+]1 ZINC000159186390 366886731 /nfs/dbraw/zinc/88/67/31/366886731.db2.gz CPVLWSKTOYCBBI-LLVKDONJSA-N 1 1 288.775 2.100 50 0 CEAAMO COC(C[N@H+]1CC[C@H](Oc2cccc(Cl)c2)C1)OC ZINC000162090628 367135994 /nfs/dbraw/zinc/13/59/94/367135994.db2.gz BZBYPXCRGWHUFN-ZDUSSCGKSA-N 1 1 285.771 2.412 50 0 CEAAMO c1cnc([C@@H]2CCC[N@H+]2CCO[C@@H]2CCCCO2)nc1 ZINC000585116043 367179480 /nfs/dbraw/zinc/17/94/80/367179480.db2.gz FKLLYSPMSUSMGS-UONOGXRCSA-N 1 1 277.368 2.157 50 0 CEAAMO c1cnc([C@@H]2CCC[N@@H+]2CCO[C@@H]2CCCCO2)nc1 ZINC000585116043 367179486 /nfs/dbraw/zinc/17/94/86/367179486.db2.gz FKLLYSPMSUSMGS-UONOGXRCSA-N 1 1 277.368 2.157 50 0 CEAAMO C[C@H]1C[C@@H](NCc2ccncc2Br)CC[N@H+]1C ZINC000585118315 367180413 /nfs/dbraw/zinc/18/04/13/367180413.db2.gz KFZYPQDUWSEILO-JQWIXIFHSA-N 1 1 298.228 2.416 50 0 CEAAMO Cc1[nH+]ccn1C[C@@H]1CCCN1c1nc(C(C)C)no1 ZINC000170615795 367387220 /nfs/dbraw/zinc/38/72/20/367387220.db2.gz RBHOSPPKZDIQLR-LBPRGKRZSA-N 1 1 275.356 2.367 50 0 CEAAMO Fc1cccc([C@H]2C[N@@H+](CC3CC[NH2+]CC3)CCO2)c1 ZINC000178971894 368317993 /nfs/dbraw/zinc/31/79/93/368317993.db2.gz FLFLXQPLKHUBME-MRXNPFEDSA-N 1 1 278.371 2.199 50 0 CEAAMO Fc1cccc([C@H]2CN(CC3CC[NH2+]CC3)CCO2)c1 ZINC000178971894 368317994 /nfs/dbraw/zinc/31/79/94/368317994.db2.gz FLFLXQPLKHUBME-MRXNPFEDSA-N 1 1 278.371 2.199 50 0 CEAAMO C[C@@H](c1cnccn1)[NH+]1CCN(c2ccccc2)CC1 ZINC000184403375 368691877 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C[C@H]1CCCC[N@H+]1C[C@@H](O)COc1ccccc1F ZINC000016286258 361485506 /nfs/dbraw/zinc/48/55/06/361485506.db2.gz UCYCQGSPLJANNI-QWHCGFSZSA-N 1 1 267.344 2.440 50 0 CEAAMO COc1cc2c(cc1C[NH2+]C1CCN(C)CC1)O[C@H](C)C2 ZINC000017314102 361508414 /nfs/dbraw/zinc/50/84/14/361508414.db2.gz GBQOAGDSFKKRGM-GFCCVEGCSA-N 1 1 290.407 2.202 50 0 CEAAMO COc1ccccc1C[NH+]1CCN(Cc2cccnc2)CC1 ZINC000019369885 361529436 /nfs/dbraw/zinc/52/94/36/361529436.db2.gz UQJRNDWLQKGINJ-UHFFFAOYSA-N 1 1 297.402 2.408 50 0 CEAAMO CCC12CN3CC(C)(C[N@H+](C1)C31CCCCC1)C2=O ZINC000019329242 361527873 /nfs/dbraw/zinc/52/78/73/361527873.db2.gz PWNBTESDMWNYKK-UHFFFAOYSA-N 1 1 262.397 2.263 50 0 CEAAMO CCC12CN3CC(C)(C[N@@H+](C1)C31CCCCC1)C2=O ZINC000019329242 361527878 /nfs/dbraw/zinc/52/78/78/361527878.db2.gz PWNBTESDMWNYKK-UHFFFAOYSA-N 1 1 262.397 2.263 50 0 CEAAMO O=C1C[C@@H]([NH2+]Cc2ccccc2F)C(=O)N1c1ccccc1 ZINC000019892126 361564990 /nfs/dbraw/zinc/56/49/90/361564990.db2.gz GCSJHFTXUYLBSB-OAHLLOKOSA-N 1 1 298.317 2.247 50 0 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CEAAMO C[C@@H]([NH2+]Cc1ccccn1)c1ccc2c(c1)NC(=O)CO2 ZINC000020091722 361578464 /nfs/dbraw/zinc/57/84/64/361578464.db2.gz HCWLXPMMNBTRIT-LLVKDONJSA-N 1 1 283.331 2.263 50 0 CEAAMO C[NH+]1CCN(Cc2cccc(C(=O)C3CC3)c2)CC1 ZINC000022028095 361587000 /nfs/dbraw/zinc/58/70/00/361587000.db2.gz GGUULVJPDNGWOV-UHFFFAOYSA-N 1 1 258.365 2.027 50 0 CEAAMO CN(C)c1cccc(C[N@H+](C)Cc2cn3cccnc3n2)c1 ZINC000089921877 364016905 /nfs/dbraw/zinc/01/69/05/364016905.db2.gz PPBVITWGRXMEFQ-UHFFFAOYSA-N 1 1 295.390 2.427 50 0 CEAAMO CN(C)c1cccc(C[N@@H+](C)Cc2cn3cccnc3n2)c1 ZINC000089921877 364016909 /nfs/dbraw/zinc/01/69/09/364016909.db2.gz PPBVITWGRXMEFQ-UHFFFAOYSA-N 1 1 295.390 2.427 50 0 CEAAMO C[C@H]1C[N@H+](C)CCN1C(=O)C1(c2ccc(F)cc2)CC1 ZINC000089937836 364019779 /nfs/dbraw/zinc/01/97/79/364019779.db2.gz HKXJJXONTCTYJC-LBPRGKRZSA-N 1 1 276.355 2.020 50 0 CEAAMO C[C@H]1C[N@@H+](C)CCN1C(=O)C1(c2ccc(F)cc2)CC1 ZINC000089937836 364019784 /nfs/dbraw/zinc/01/97/84/364019784.db2.gz HKXJJXONTCTYJC-LBPRGKRZSA-N 1 1 276.355 2.020 50 0 CEAAMO CCC[C@@H](C(=O)Nc1cccc(C[S@](C)=O)c1)[NH+](C)C ZINC000089949423 364021220 /nfs/dbraw/zinc/02/12/20/364021220.db2.gz QZNGDHJTASAGEQ-VBKZILBWSA-N 1 1 296.436 2.234 50 0 CEAAMO Cn1c(C[N@@H+]2CCCSCC2)nnc1-c1ccccc1 ZINC000089980704 364025973 /nfs/dbraw/zinc/02/59/73/364025973.db2.gz PWDLMHJBPUGPIJ-UHFFFAOYSA-N 1 1 288.420 2.421 50 0 CEAAMO Cn1c(C[N@H+]2CCCSCC2)nnc1-c1ccccc1 ZINC000089980704 364025981 /nfs/dbraw/zinc/02/59/81/364025981.db2.gz PWDLMHJBPUGPIJ-UHFFFAOYSA-N 1 1 288.420 2.421 50 0 CEAAMO Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)[C@H]2CSC[NH2+]2)C1 ZINC000237580139 370734578 /nfs/dbraw/zinc/73/45/78/370734578.db2.gz HMIULWTWDUSKCS-UMVBOHGHSA-N 1 1 290.432 2.362 50 0 CEAAMO C[C@@H]1C[C@H]([NH+](C)CC(=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000237378691 370715727 /nfs/dbraw/zinc/71/57/27/370715727.db2.gz VJMJSIZGVGOOIP-UKRRQHHQSA-N 1 1 276.380 2.056 50 0 CEAAMO C[C@@H]1C[C@H]([NH+](C)CC(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000237378691 370715732 /nfs/dbraw/zinc/71/57/32/370715732.db2.gz VJMJSIZGVGOOIP-UKRRQHHQSA-N 1 1 276.380 2.056 50 0 CEAAMO C[C@@H]1C[C@H]([N@H+](C)CC(=O)[O-])CC[NH+]1Cc1ccccc1 ZINC000237378691 370715736 /nfs/dbraw/zinc/71/57/36/370715736.db2.gz VJMJSIZGVGOOIP-UKRRQHHQSA-N 1 1 276.380 2.056 50 0 CEAAMO C[C@@H]1C[C@H]([N@@H+](C)CC(=O)[O-])CC[NH+]1Cc1ccccc1 ZINC000237378691 370715740 /nfs/dbraw/zinc/71/57/40/370715740.db2.gz VJMJSIZGVGOOIP-UKRRQHHQSA-N 1 1 276.380 2.056 50 0 CEAAMO CC[N@@H+](CCC(N)=O)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000095351190 364343021 /nfs/dbraw/zinc/34/30/21/364343021.db2.gz OKHDOLAGCTXANH-GOEBONIOSA-N 1 1 289.423 2.019 50 0 CEAAMO CCN(CCC(N)=O)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000095351190 364343026 /nfs/dbraw/zinc/34/30/26/364343026.db2.gz OKHDOLAGCTXANH-GOEBONIOSA-N 1 1 289.423 2.019 50 0 CEAAMO CCN(CCC(N)=O)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000095351190 364343032 /nfs/dbraw/zinc/34/30/32/364343032.db2.gz OKHDOLAGCTXANH-GOEBONIOSA-N 1 1 289.423 2.019 50 0 CEAAMO CCc1cnc(N)nc1N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000095354079 364343640 /nfs/dbraw/zinc/34/36/40/364343640.db2.gz CAKHKJDHQHRPBO-OAHLLOKOSA-N 1 1 297.406 2.308 50 0 CEAAMO CC(C)N1CCC([NH2+][C@@H]2CCC[C@H]3OCC[C@@H]32)CC1 ZINC000095423816 364369648 /nfs/dbraw/zinc/36/96/48/364369648.db2.gz BRKRRBFWHCRMRK-BZUAXINKSA-N 1 1 266.429 2.406 50 0 CEAAMO CCN(CC)CC[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000095446898 364383210 /nfs/dbraw/zinc/38/32/10/364383210.db2.gz WXTRSTLPQWLICZ-HNNXBMFYSA-N 1 1 276.428 2.157 50 0 CEAAMO CCN(CC)CC[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000095446898 364383217 /nfs/dbraw/zinc/38/32/17/364383217.db2.gz WXTRSTLPQWLICZ-HNNXBMFYSA-N 1 1 276.428 2.157 50 0 CEAAMO CCc1ncnc(N2CCC[C@H]2Cn2cc[nH+]c2C)c1F ZINC000095453304 364384110 /nfs/dbraw/zinc/38/41/10/364384110.db2.gz ZODZAXMIGRDAPE-LBPRGKRZSA-N 1 1 289.358 2.352 50 0 CEAAMO C[C@H]([NH2+]Cc1ccnc(N(C)C)n1)c1ccc(Cl)nc1 ZINC000095463503 364386267 /nfs/dbraw/zinc/38/62/67/364386267.db2.gz RJDSXCHQXTYZJY-JTQLQIEISA-N 1 1 291.786 2.442 50 0 CEAAMO CCc1cnc(N2CCC[N@@H+](Cc3cccnc3)CC2)nc1 ZINC000095358139 364344531 /nfs/dbraw/zinc/34/45/31/364344531.db2.gz XQJBKQSUQJYOPB-UHFFFAOYSA-N 1 1 297.406 2.146 50 0 CEAAMO COC(=O)c1cc(C[N@H+](C)[C@H](C)c2ccccn2)c[nH]1 ZINC000097058750 364438515 /nfs/dbraw/zinc/43/85/15/364438515.db2.gz KBKBMEWKMMXLMP-LLVKDONJSA-N 1 1 273.336 2.389 50 0 CEAAMO COC(=O)c1cc(C[N@@H+](C)[C@H](C)c2ccccn2)c[nH]1 ZINC000097058750 364438520 /nfs/dbraw/zinc/43/85/20/364438520.db2.gz KBKBMEWKMMXLMP-LLVKDONJSA-N 1 1 273.336 2.389 50 0 CEAAMO C[C@@H](c1ccccn1)[N@H+](C)Cc1cnc2cnccn12 ZINC000097113647 364456761 /nfs/dbraw/zinc/45/67/61/364456761.db2.gz SFWKBPGLXVOMBR-LBPRGKRZSA-N 1 1 267.336 2.317 50 0 CEAAMO C[C@@H](c1ccccn1)[N@@H+](C)Cc1cnc2cnccn12 ZINC000097113647 364456764 /nfs/dbraw/zinc/45/67/64/364456764.db2.gz SFWKBPGLXVOMBR-LBPRGKRZSA-N 1 1 267.336 2.317 50 0 CEAAMO Cc1cccc(NC[C@H]2CC[N@@H+](CCn3cccn3)C2)n1 ZINC000097200550 364475583 /nfs/dbraw/zinc/47/55/83/364475583.db2.gz POHFWABDFMMDJR-OAHLLOKOSA-N 1 1 285.395 2.021 50 0 CEAAMO C[C@H](CCc1cccc(F)c1)[N@H+]1CCCN(C(N)=O)CC1 ZINC000097370762 364492965 /nfs/dbraw/zinc/49/29/65/364492965.db2.gz MWUINUSSRPAGMY-CYBMUJFWSA-N 1 1 293.386 2.233 50 0 CEAAMO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](C[C@H]3CCC=CO3)C2)n1 ZINC000241157266 370782037 /nfs/dbraw/zinc/78/20/37/370782037.db2.gz JWGXDPPHFUYYRC-HZPDHXFCSA-N 1 1 290.411 2.300 50 0 CEAAMO Cc1cccc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)[nH+]1 ZINC000097464975 364504954 /nfs/dbraw/zinc/50/49/54/364504954.db2.gz HGWAPCXRYNPOPK-GFCCVEGCSA-N 1 1 277.368 2.493 50 0 CEAAMO C[C@@H]1CC[N@@H+](CCc2ccccn2)C[C@H]1n1ccnc1 ZINC000241301048 370782069 /nfs/dbraw/zinc/78/20/69/370782069.db2.gz LPYCHHMQTNINJR-GDBMZVCRSA-N 1 1 270.380 2.404 50 0 CEAAMO COc1ccc(CN2CC[N@@H+](C)C[C@H]2C(C)C)cc1O ZINC000097139295 364461044 /nfs/dbraw/zinc/46/10/44/364461044.db2.gz TYIASPWKMUUNHK-AWEZNQCLSA-N 1 1 278.396 2.173 50 0 CEAAMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1ccoc1C ZINC000241588087 370782900 /nfs/dbraw/zinc/78/29/00/370782900.db2.gz OZLWEVZNABBSPX-LBPRGKRZSA-N 1 1 250.342 2.192 50 0 CEAAMO c1n[nH]cc1CC[N@H+](Cc1ccccn1)C[C@H]1CCCO1 ZINC000244700900 370793829 /nfs/dbraw/zinc/79/38/29/370793829.db2.gz JVZFDTDOEDVKNZ-MRXNPFEDSA-N 1 1 286.379 2.028 50 0 CEAAMO Cc1cc(C)n(CC[N@H+](C)Cc2ccncc2C)n1 ZINC000244708359 370795520 /nfs/dbraw/zinc/79/55/20/370795520.db2.gz KSJDVEAWTWEGEX-UHFFFAOYSA-N 1 1 258.369 2.335 50 0 CEAAMO Cc1cc(N(C)[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)nc(C)[nH+]1 ZINC000245305013 370808014 /nfs/dbraw/zinc/80/80/14/370808014.db2.gz HNWKHQGCXKHGQR-BNOWGMLFSA-N 1 1 261.369 2.343 50 0 CEAAMO COc1ccc(C[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)cc1 ZINC000245339486 370808448 /nfs/dbraw/zinc/80/84/48/370808448.db2.gz TYKICMNWOJTVNJ-CVEARBPZSA-N 1 1 277.364 2.075 50 0 CEAAMO COc1ccc(C[N@H+]2CCO[C@H]([C@H]3CCCO3)C2)cc1 ZINC000245339486 370808457 /nfs/dbraw/zinc/80/84/57/370808457.db2.gz TYKICMNWOJTVNJ-CVEARBPZSA-N 1 1 277.364 2.075 50 0 CEAAMO O=C1NCCCC[C@H]1[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000120346470 365411368 /nfs/dbraw/zinc/41/13/68/365411368.db2.gz PIACECMUQLSJIK-HZPDHXFCSA-N 1 1 287.407 2.232 50 0 CEAAMO Cc1cccc(NC(=O)C[N@H+](C)CCC[C@@H](C)O)c1C ZINC000170608531 367386795 /nfs/dbraw/zinc/38/67/95/367386795.db2.gz CQRQBFFGHGYEFS-CYBMUJFWSA-N 1 1 278.396 2.335 50 0 CEAAMO C[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000358145241 370922343 /nfs/dbraw/zinc/92/23/43/370922343.db2.gz ZLZFWSCEDIZYQQ-DFBGVHRSSA-N 1 1 276.355 2.092 50 0 CEAAMO C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000358145241 370922347 /nfs/dbraw/zinc/92/23/47/370922347.db2.gz ZLZFWSCEDIZYQQ-DFBGVHRSSA-N 1 1 276.355 2.092 50 0 CEAAMO CC[N@@H+](CCS(C)(=O)=O)C[C@@H]1C(C)=CCC[C@H]1C ZINC000191079169 369675131 /nfs/dbraw/zinc/67/51/31/369675131.db2.gz WKZOAICMXVQFOU-ZIAGYGMSSA-N 1 1 273.442 2.345 50 0 CEAAMO C[N@@H+]1C[C@@H]2C[NH+](CCSCc3ccccc3)C[C@@H]2C1 ZINC000192815870 369857382 /nfs/dbraw/zinc/85/73/82/369857382.db2.gz ZOJKSYSGKXQWLV-IYBDPMFKSA-N 1 1 276.449 2.413 50 0 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259.353 2.340 50 0 CEAAMO Cc1cccc2nc(C[N@@H+](C)C[C@H]3CCOC3)[nH]c21 ZINC000215091395 370173696 /nfs/dbraw/zinc/17/36/96/370173696.db2.gz KMPYWYBHKKSAJL-GFCCVEGCSA-N 1 1 259.353 2.340 50 0 CEAAMO C[C@@H](Cc1ccc2c(c1)OCO2)C[N@@H+](C)Cc1cc[nH]n1 ZINC000215585772 370178297 /nfs/dbraw/zinc/17/82/97/370178297.db2.gz VMVOUBFMXNGXBI-LBPRGKRZSA-N 1 1 287.363 2.449 50 0 CEAAMO CO[C@H]1CC[N@@H+](Cc2ccc(-c3cc[nH]n3)s2)C1 ZINC000215535992 370178347 /nfs/dbraw/zinc/17/83/47/370178347.db2.gz XXFJNCFSKTUDHG-JTQLQIEISA-N 1 1 263.366 2.359 50 0 CEAAMO CCCn1ccnc1C[N@H+](C)[C@H](C)Cc1cnccn1 ZINC000215736651 370179528 /nfs/dbraw/zinc/17/95/28/370179528.db2.gz SMROHKZGRPEXRP-CYBMUJFWSA-N 1 1 273.384 2.146 50 0 CEAAMO CCCn1ccnc1C[N@@H+](C)[C@H](C)Cc1cnccn1 ZINC000215736651 370179531 /nfs/dbraw/zinc/17/95/31/370179531.db2.gz SMROHKZGRPEXRP-CYBMUJFWSA-N 1 1 273.384 2.146 50 0 CEAAMO Cc1nc2ccccn2c1CN1C[C@H]2CC[C@@H]1C[N@@H+](C)C2 ZINC000215950867 370182314 /nfs/dbraw/zinc/18/23/14/370182314.db2.gz 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ZINC000067955955 175804186 /nfs/dbraw/zinc/80/41/86/175804186.db2.gz FGRAWGZTZPCVFF-JTQLQIEISA-N 1 1 278.381 2.363 50 0 CEAAMO COCc1ncc(C[N@@H+]2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2)cn1 ZINC000071385538 176147169 /nfs/dbraw/zinc/14/71/69/176147169.db2.gz KLOLWRUSZHFMBJ-NMWPEEMBSA-N 1 1 273.380 2.101 50 0 CEAAMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C1(c2ccc(F)cc2)CC1 ZINC000071827946 176272629 /nfs/dbraw/zinc/27/26/29/176272629.db2.gz KRCGOBTUGISNJK-CQSZACIVSA-N 1 1 288.366 2.210 50 0 CEAAMO Cc1cc(C(=O)N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)on1 ZINC000071830748 176273145 /nfs/dbraw/zinc/27/31/45/176273145.db2.gz JQMNVWXDCYJODF-MJBXVCDLSA-N 1 1 291.395 2.460 50 0 CEAAMO O[C@@H]([C@H]1CCC[N@H+]1CCc1ccncc1)C(F)(F)F ZINC000071897113 176292158 /nfs/dbraw/zinc/29/21/58/176292158.db2.gz PUNIIRVZCMYAJZ-NEPJUHHUSA-N 1 1 274.286 2.012 50 0 CEAAMO CSCCC[N@H+]1CCC[C@H](c2cc(=O)[nH]c(C)n2)C1 ZINC000072158731 176329102 /nfs/dbraw/zinc/32/91/02/176329102.db2.gz XQZPZQGWRKMAIN-LBPRGKRZSA-N 1 1 281.425 2.423 50 0 CEAAMO Cc1cc(C(=O)NCc2ccccc2-n2cc[nH+]c2C)[nH]n1 ZINC000072277229 176356726 /nfs/dbraw/zinc/35/67/26/176356726.db2.gz AADGTTGJRUJKFY-UHFFFAOYSA-N 1 1 295.346 2.142 50 0 CEAAMO OCCC[N@@H+](CCn1cccn1)[C@@H]1CCc2ccccc21 ZINC000072284959 176359921 /nfs/dbraw/zinc/35/99/21/176359921.db2.gz OKCNNEGVRKJUQJ-QGZVFWFLSA-N 1 1 285.391 2.255 50 0 CEAAMO Cc1ccc2ncccc2c1C[N@@H+]1CC[C@@](O)(CN(C)C)C1 ZINC000072410741 176398279 /nfs/dbraw/zinc/39/82/79/176398279.db2.gz CVYFFPXUWKUWPA-GOSISDBHSA-N 1 1 299.418 2.042 50 0 CEAAMO Cc1ccc2ncccc2c1CN1CC[C@@](O)(C[NH+](C)C)C1 ZINC000072410741 176398284 /nfs/dbraw/zinc/39/82/84/176398284.db2.gz CVYFFPXUWKUWPA-GOSISDBHSA-N 1 1 299.418 2.042 50 0 CEAAMO CCOc1ccc(C[N@@H+]2CCOC[C@@H](CO)C2)cc1Cl ZINC000077455746 177271364 /nfs/dbraw/zinc/27/13/64/177271364.db2.gz SHUJKTHMAKXZMR-CYBMUJFWSA-N 1 1 299.798 2.179 50 0 CEAAMO CCOc1ccc(C[N@H+]2CCOC[C@@H](CO)C2)cc1Cl ZINC000077455746 177271365 /nfs/dbraw/zinc/27/13/65/177271365.db2.gz SHUJKTHMAKXZMR-CYBMUJFWSA-N 1 1 299.798 2.179 50 0 CEAAMO CC[N@H+]1CCC[C@@H](NC(=O)c2c[nH]nc2-c2ccccc2)C1 ZINC000078648501 177365984 /nfs/dbraw/zinc/36/59/84/177365984.db2.gz VJNYVTJKUSBWLL-CQSZACIVSA-N 1 1 298.390 2.291 50 0 CEAAMO c1ccc(C[N@H+]2CC[C@@H](NCc3ccccn3)C2)cc1 ZINC000020306331 262244951 /nfs/dbraw/zinc/24/49/51/262244951.db2.gz YCGLLHYAEPGFHW-QGZVFWFLSA-N 1 1 267.376 2.446 50 0 CEAAMO CC(C)[C@H]1CN(c2ccnc(N)n2)CCC[N@H+]1CC1CC1 ZINC000071753475 264255797 /nfs/dbraw/zinc/25/57/97/264255797.db2.gz SXDGRYMIMKENKD-CQSZACIVSA-N 1 1 289.427 2.006 50 0 CEAAMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1ccc2c(c1)CCC2 ZINC000341287834 274337605 /nfs/dbraw/zinc/33/76/05/274337605.db2.gz NBXJLSRCNWXVAT-ABAIWWIYSA-N 1 1 258.365 2.312 50 0 CEAAMO C[N@H+]1CC[C@@H]2OCCN(CCc3ccccc3Cl)[C@@H]2C1 ZINC000328590963 277153268 /nfs/dbraw/zinc/15/32/68/277153268.db2.gz RISSYFBBRGOONQ-CVEARBPZSA-N 1 1 294.826 2.287 50 0 CEAAMO CN1CC[C@H]([NH+]2CCC(=Cc3ccccc3)CC2)C1=O ZINC000102691170 277163380 /nfs/dbraw/zinc/16/33/80/277163380.db2.gz ZGMQNEGDMPJCKN-INIZCTEOSA-N 1 1 270.376 2.397 50 0 CEAAMO CC(C)(C)OC[C@H](O)C[N@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000246874284 277216351 /nfs/dbraw/zinc/21/63/51/277216351.db2.gz QFIIVWNHPYTTAB-KGLIPLIRSA-N 1 1 281.400 2.113 50 0 CEAAMO C[C@@H]1C[C@](O)(/C=C/C2(O)CCCCC2)[C@@H](C)C[N@H+]1C ZINC000015319268 278036911 /nfs/dbraw/zinc/03/69/11/278036911.db2.gz HAKHECCJGGYZQK-UITUDBMJSA-N 1 1 267.413 2.329 50 0 CEAAMO Cc1c[nH+]c(N)nc1N[C@H]1COC2(C1)CCCCC2 ZINC000091593417 279013959 /nfs/dbraw/zinc/01/39/59/279013959.db2.gz FOPCMQMAVCBNSZ-LLVKDONJSA-N 1 1 262.357 2.271 50 0 CEAAMO C[C@H](CNC(=O)C[C@@H]1CCCO1)[N@@H+](C)Cc1ccccc1 ZINC000078879068 279327741 /nfs/dbraw/zinc/32/77/41/279327741.db2.gz VMIPCZVXTSCENK-ZBFHGGJFSA-N 1 1 290.407 2.192 50 0 CEAAMO CC1(C)C[N@H+](C[C@@H](O)C(F)(F)F)CC2(CCCC2)O1 ZINC000190966671 281241889 /nfs/dbraw/zinc/24/18/89/281241889.db2.gz MFHXYTLAYYXCDY-SNVBAGLBSA-N 1 1 281.318 2.333 50 0 CEAAMO CC1(C)C[N@@H+](C[C@@H](O)C(F)(F)F)CC2(CCCC2)O1 ZINC000190966671 281241890 /nfs/dbraw/zinc/24/18/90/281241890.db2.gz MFHXYTLAYYXCDY-SNVBAGLBSA-N 1 1 281.318 2.333 50 0 CEAAMO Fc1c(Cl)cccc1[C@H]1[NH2+]CCc2nc[nH]c21 ZINC000036047751 294732129 /nfs/dbraw/zinc/73/21/29/294732129.db2.gz MWHHBXDRSCBOKU-LLVKDONJSA-N 1 1 251.692 2.437 50 0 CEAAMO C[N@H+]1CCCCC[C@H]1C(=O)NCCCOC1CCCC1 ZINC000534575313 328309784 /nfs/dbraw/zinc/30/97/84/328309784.db2.gz JMKUZHVPOQRTHI-HNNXBMFYSA-N 1 1 282.428 2.326 50 0 CEAAMO CC(C)(C)c1noc(C[NH2+][C@@H]2CCCSC2)n1 ZINC000534576174 328309862 /nfs/dbraw/zinc/30/98/62/328309862.db2.gz YRPQYTYDPMKLPG-SECBINFHSA-N 1 1 255.387 2.352 50 0 CEAAMO Cc1ccc2nc(CCC[NH2+][C@H]3CCOC3)[nH]c2c1C ZINC000534674463 328349158 /nfs/dbraw/zinc/34/91/58/328349158.db2.gz AVFPFJPZRYCEMJ-ZDUSSCGKSA-N 1 1 273.380 2.491 50 0 CEAAMO CCC/C=C/C[N@H+]1CC[C@@H]2[C@@H](CCC(=O)N2CCCO)C1 ZINC000072439430 327110874 /nfs/dbraw/zinc/11/08/74/327110874.db2.gz ISDNMQWUXKGFPF-CGFBPQRUSA-N 1 1 294.439 2.038 50 0 CEAAMO Fc1cccc(C[C@H]2CCC[N@H+]2CC2OCCO2)c1 ZINC000096495479 534519657 /nfs/dbraw/zinc/51/96/57/534519657.db2.gz KKQMNYNTPQNTBH-CQSZACIVSA-N 1 1 265.328 2.206 50 0 CEAAMO CC(=O)NC[C@@H]1C[N@@H+](CC[C@H](C)c2ccccc2)CCO1 ZINC000193969583 526780933 /nfs/dbraw/zinc/78/09/33/526780933.db2.gz QSOANHWBLRNNAR-WMLDXEAASA-N 1 1 290.407 2.017 50 0 CEAAMO C[NH+]1CCN(C(=O)c2ccc(N3CCCCC3)cc2)CC1 ZINC000014398291 536406454 /nfs/dbraw/zinc/40/64/54/536406454.db2.gz CJISRPHNQKJBRH-UHFFFAOYSA-N 1 1 287.407 2.065 50 0 CEAAMO CC[C@H](C)[C@H]([NH3+])C(=O)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000219351609 538892103 /nfs/dbraw/zinc/89/21/03/538892103.db2.gz GNYBTWHDERNNDO-SDBXPKJASA-N 1 1 294.786 2.206 50 0 CEAAMO CCC(=O)N1CC[NH+](Cc2cccc3cc[nH]c32)CC1 ZINC000952988955 614608081 /nfs/dbraw/zinc/60/80/81/614608081.db2.gz WYPCNYUBBKGVEK-UHFFFAOYSA-N 1 1 271.364 2.222 50 0 CEAAMO CCn1nnc(C)c1CN1CC[N@@H+](C2CCCC2)[C@@H](C)C1 ZINC000952994279 615742996 /nfs/dbraw/zinc/74/29/96/615742996.db2.gz OEHPUHRIIHLMLD-ZDUSSCGKSA-N 1 1 291.443 2.055 50 0 CEAAMO O=C1[C@@H]([NH2+]Cc2ccccn2)CCN1Cc1ccc(F)cc1 ZINC000191763619 628365592 /nfs/dbraw/zinc/36/55/92/628365592.db2.gz SIISKNKBKZFOFQ-INIZCTEOSA-N 1 1 299.349 2.111 50 0 CEAAMO C=CC(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1cccs1 ZINC000888102337 628871147 /nfs/dbraw/zinc/87/11/47/628871147.db2.gz WTZOJOKPGKTFNC-GWCFXTLKSA-N 1 1 250.367 2.043 50 0 CEAAMO Fc1ccccc1-c1noc([C@@H]2C[N@H+]3CCC[C@@H]3CO2)n1 ZINC000874435424 640972612 /nfs/dbraw/zinc/97/26/12/640972612.db2.gz SFKNVHBVARIQGZ-MFKMUULPSA-N 1 1 289.310 2.411 50 0 CEAAMO Cc1nc2c(c(N3CC[C@@H]4CCCC[C@@H]4C3)n1)C[NH2+]C2 ZINC000072163430 641874144 /nfs/dbraw/zinc/87/41/44/641874144.db2.gz KBMAYIUXYZIVCL-QWHCGFSZSA-N 1 1 272.396 2.405 50 0 CEAAMO C/C=C(\C)C[N@H+]1CC[C@@]2(C1)CCCN(CCOC)C2 ZINC000012470617 643388530 /nfs/dbraw/zinc/38/85/30/643388530.db2.gz JTVZWVKKRCPVQE-MRJCOXNESA-N 1 1 266.429 2.387 50 0 CEAAMO C/C=C(\C)C[N@@H+]1CC[C@@]2(C1)CCCN(CCOC)C2 ZINC000012470617 643388532 /nfs/dbraw/zinc/38/85/32/643388532.db2.gz JTVZWVKKRCPVQE-MRJCOXNESA-N 1 1 266.429 2.387 50 0 CEAAMO Cc1ccc(-c2cccc(C[N@H+](C)[C@H]3COC[C@@H]3O)c2)o1 ZINC000215675588 652570748 /nfs/dbraw/zinc/57/07/48/652570748.db2.gz QVVJAYPRWWBWGQ-HOTGVXAUSA-N 1 1 287.359 2.447 50 0 CEAAMO C[N@H+]1C[C@H](c2nc(-c3ccncc3)no2)[C@H](C(F)(F)F)C1 ZINC000952882026 815076196 /nfs/dbraw/zinc/07/61/96/815076196.db2.gz LDBZFWOWWQAUGM-VHSXEESVSA-N 1 1 298.268 2.339 50 0 CEAAMO O[C@H]1CCC[N@@H+](CCCNc2nccc3ccccc32)C1 ZINC000952971506 815085984 /nfs/dbraw/zinc/08/59/84/815085984.db2.gz UIRBTFUEZLSTOC-HNNXBMFYSA-N 1 1 285.391 2.494 50 0 CEAAMO O[C@@H]1CCC[N@@H+](CCCNc2nccc3ccccc32)C1 ZINC000952971509 815086075 /nfs/dbraw/zinc/08/60/75/815086075.db2.gz UIRBTFUEZLSTOC-OAHLLOKOSA-N 1 1 285.391 2.494 50 0 CEAAMO Cc1nc(-c2cccc(NC(=O)[C@H]3CCC[N@H+](C)C3)c2)n[nH]1 ZINC000823770160 810627495 /nfs/dbraw/zinc/62/74/95/810627495.db2.gz RHRJVIVVKQBOIR-ZDUSSCGKSA-N 1 1 299.378 2.060 50 0 CEAAMO COc1ncc(C[N@H+]2CCCN(c3ccccc3)CC2)cn1 ZINC000824852000 810709285 /nfs/dbraw/zinc/70/92/85/810709285.db2.gz MXCUXHQOXOLFEV-UHFFFAOYSA-N 1 1 298.390 2.198 50 0 CEAAMO COCCn1c(C)c[nH+]c1CCNC(=O)CC1CCCC1 ZINC000581816989 811166390 /nfs/dbraw/zinc/16/63/90/811166390.db2.gz LYCGKIRIRVLUNP-UHFFFAOYSA-N 1 1 293.411 2.077 50 0 CEAAMO Cc1coc(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1C ZINC000585081732 813660637 /nfs/dbraw/zinc/66/06/37/813660637.db2.gz PTXSNSMUEQTGIE-CYBMUJFWSA-N 1 1 262.353 2.207 50 0 CEAAMO Cc1coc(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)c1C ZINC000585081732 813660640 /nfs/dbraw/zinc/66/06/40/813660640.db2.gz PTXSNSMUEQTGIE-CYBMUJFWSA-N 1 1 262.353 2.207 50 0 CEAAMO C[C@@H]1CC[C@H](C(N)=O)[C@@H](C)[N@H+]1Cc1cccc(F)c1 ZINC000585116052 813679689 /nfs/dbraw/zinc/67/96/89/813679689.db2.gz FTBJOTQRCGPNPF-GYSYKLTISA-N 1 1 264.344 2.300 50 0 CEAAMO CC[N@H+]1[C@H](C)CN(C(=O)c2ccc(O)c(F)c2)C[C@@H]1C ZINC000585126535 813692046 /nfs/dbraw/zinc/69/20/46/813692046.db2.gz BKQSVQXORXNWOS-PHIMTYICSA-N 1 1 280.343 2.086 50 0 CEAAMO CC[N@@H+]1[C@H](C)CN(C(=O)c2ccc(O)c(F)c2)C[C@@H]1C ZINC000585126535 813692051 /nfs/dbraw/zinc/69/20/51/813692051.db2.gz BKQSVQXORXNWOS-PHIMTYICSA-N 1 1 280.343 2.086 50 0 CEAAMO Cc1cccc(N2CC[N@@H+](Cc3ccccc3)C[C@H](O)C2)n1 ZINC000095518637 185002611 /nfs/dbraw/zinc/00/26/11/185002611.db2.gz UBXZQKNMBJYKNP-KRWDZBQOSA-N 1 1 297.402 2.073 50 0 CEAAMO CC[N@H+](CC(=O)OCCCc1cccnc1)C1CC1 ZINC000095974956 185050133 /nfs/dbraw/zinc/05/01/33/185050133.db2.gz CUGUEPNRFREEJX-UHFFFAOYSA-N 1 1 262.353 2.042 50 0 CEAAMO CC[N@@H+](CC(=O)OCCCc1cccnc1)C1CC1 ZINC000095974956 185050134 /nfs/dbraw/zinc/05/01/34/185050134.db2.gz CUGUEPNRFREEJX-UHFFFAOYSA-N 1 1 262.353 2.042 50 0 CEAAMO Cc1c(O)cccc1C(=O)NCC[N@H+](C(C)C)C1CC1 ZINC000095978504 185052081 /nfs/dbraw/zinc/05/20/81/185052081.db2.gz CKFQOKPBSJUBLL-UHFFFAOYSA-N 1 1 276.380 2.303 50 0 CEAAMO CC[NH+]1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1 ZINC000032814918 361758537 /nfs/dbraw/zinc/75/85/37/361758537.db2.gz AHHXSBDAPDJFIP-UHFFFAOYSA-N 1 1 283.375 2.255 50 0 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2.124 50 0 CEAAMO C[NH+](C)[C@@H](CNC(=O)COc1ccccc1)c1ccco1 ZINC000015831437 361479267 /nfs/dbraw/zinc/47/92/67/361479267.db2.gz FIXCZBIXZMJYST-AWEZNQCLSA-N 1 1 288.347 2.078 50 0 CEAAMO CC(C)[N@@H+](CC(N)=O)Cc1cccc(C(F)(F)F)c1 ZINC000016419518 361488636 /nfs/dbraw/zinc/48/86/36/361488636.db2.gz GWEPZPVMJAQBIQ-UHFFFAOYSA-N 1 1 274.286 2.401 50 0 CEAAMO C[NH2+][C@H](c1nnnn1-c1ccccc1C)c1ccccc1 ZINC000019093420 361519012 /nfs/dbraw/zinc/51/90/12/361519012.db2.gz ARRSSNICHKPBLZ-HNNXBMFYSA-N 1 1 279.347 2.280 50 0 CEAAMO Cc1nc(C)c(C(=O)NCC[N@@H+]2CCCC[C@H]2C)s1 ZINC000019560297 361543878 /nfs/dbraw/zinc/54/38/78/361543878.db2.gz SKIXYOMYTKWZNW-SNVBAGLBSA-N 1 1 281.425 2.364 50 0 CEAAMO C[NH+]1CCN(CCCCOc2ccc(F)cc2)CC1 ZINC000019708041 361548244 /nfs/dbraw/zinc/54/82/44/361548244.db2.gz GAMZGDVOUNKUKX-UHFFFAOYSA-N 1 1 266.360 2.232 50 0 CEAAMO Cc1ccc2ncnc(NCCC[NH+]3CCOCC3)c2c1 ZINC000019790373 361554423 /nfs/dbraw/zinc/55/44/23/361554423.db2.gz HMOZAFJJDFUKOC-UHFFFAOYSA-N 1 1 286.379 2.072 50 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/nfs/dbraw/zinc/35/47/34/364354734.db2.gz MKQLOSJMAIUEHP-LLVKDONJSA-N 1 1 296.440 2.424 50 0 CEAAMO COCCc1noc([C@@H]2CCC[N@H+](C3CCCC3)C2)n1 ZINC000096165120 364406045 /nfs/dbraw/zinc/40/60/45/364406045.db2.gz MDRKDEFJDNCDBO-GFCCVEGCSA-N 1 1 279.384 2.381 50 0 CEAAMO CCNC(=O)C[N@H+]1C[C@H](c2ccsc2)C[C@@H]1C ZINC000095401051 364359386 /nfs/dbraw/zinc/35/93/86/364359386.db2.gz MICRRAKJENUNKF-CMPLNLGQSA-N 1 1 252.383 2.062 50 0 CEAAMO COc1ccc(C[N@H+]2CC[C@H](CO)C2)c(Cl)c1 ZINC000095430709 364374682 /nfs/dbraw/zinc/37/46/82/364374682.db2.gz IOMFOTWQEUXUKJ-JTQLQIEISA-N 1 1 255.745 2.163 50 0 CEAAMO C[C@@H](C(=O)NCc1ncccc1F)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000095434823 364375619 /nfs/dbraw/zinc/37/56/19/364375619.db2.gz CGGSCVAZYVXFSQ-TUAOUCFPSA-N 1 1 279.359 2.098 50 0 CEAAMO Cc1nn(C)c2nc(NC[C@@]3(C)CC[N@@H+](C)C3)sc12 ZINC000095503049 364391925 /nfs/dbraw/zinc/39/19/25/364391925.db2.gz OVASUPTXBYUKBO-CYBMUJFWSA-N 1 1 279.413 2.092 50 0 CEAAMO C[N@H+]1CCCC[C@H]1Cn1cccc(C(F)(F)F)c1=O 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CC[N@H+]1Cc2cccc(NC(=O)[C@@H]3CCO[C@@H]3C)c2C1 ZINC000097108179 364452863 /nfs/dbraw/zinc/45/28/63/364452863.db2.gz SUCQMVDTEDEXFG-DGCLKSJQSA-N 1 1 274.364 2.386 50 0 CEAAMO Cc1[nH]ncc1C[NH2+]C[C@@H]1COc2ccccc2C1 ZINC000097159463 364467976 /nfs/dbraw/zinc/46/79/76/364467976.db2.gz ZCFYFSQNGSXKJW-GFCCVEGCSA-N 1 1 257.337 2.059 50 0 CEAAMO COCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccsc2)C1 ZINC000097163847 364471454 /nfs/dbraw/zinc/47/14/54/364471454.db2.gz GWRQJOYBMBATHM-STQMWFEESA-N 1 1 296.436 2.225 50 0 CEAAMO C1CC1c1nsc(N2C[C@@H]3[C@H]4CCCC[N@@H+]4C[C@@H]3C2)n1 ZINC000241124243 370781976 /nfs/dbraw/zinc/78/19/76/370781976.db2.gz JGQNPBPDGGRKOD-FRRDWIJNSA-N 1 1 290.436 2.336 50 0 CEAAMO CC[N@H+](Cc1nc(COC)no1)C[C@@H]1CCOC(C)(C)C1 ZINC000097546689 364509251 /nfs/dbraw/zinc/50/92/51/364509251.db2.gz RHLSMUWAOLBOPH-GFCCVEGCSA-N 1 1 297.399 2.243 50 0 CEAAMO C[NH+](C)[C@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1ccc(C(=O)[O-])cc1)C2 ZINC000102370128 364594280 /nfs/dbraw/zinc/59/42/80/364594280.db2.gz 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/nfs/dbraw/zinc/22/08/61/361220861.db2.gz OEWVWKKZSLJXSI-UHFFFAOYSA-N 1 1 281.352 2.089 50 0 CEAAMO CSc1cccc(NC(=O)N2CC[NH+](C)CC2)c1 ZINC000001753735 361221063 /nfs/dbraw/zinc/22/10/63/361221063.db2.gz SMWKMBPDSQTSOX-UHFFFAOYSA-N 1 1 265.382 2.188 50 0 CEAAMO C[N@@H+](CCOC(=O)[C@H]1COc2ccccc2O1)C(C)(C)C ZINC000001810100 361222194 /nfs/dbraw/zinc/22/21/94/361222194.db2.gz DIWSAZJEBPERDU-CQSZACIVSA-N 1 1 293.363 2.100 50 0 CEAAMO CCOC(=O)CCC(=O)c1cccc(C[NH+]2CCC2)c1 ZINC000002515152 361236595 /nfs/dbraw/zinc/23/65/95/361236595.db2.gz DSLYLEURKPDEKP-UHFFFAOYSA-N 1 1 275.348 2.418 50 0 CEAAMO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCc1ccc2c(c1)OCO2 ZINC000004196883 361305529 /nfs/dbraw/zinc/30/55/29/361305529.db2.gz RSTSMVMSMDWOHJ-YRGRVCCFSA-N 1 1 276.380 2.234 50 0 CEAAMO O=C(NCC[N@H+]1CCc2ccccc2C1)Nc1cccnc1 ZINC000012545348 361390699 /nfs/dbraw/zinc/39/06/99/361390699.db2.gz NPUWRRKVWXMNSW-UHFFFAOYSA-N 1 1 296.374 2.261 50 0 CEAAMO CC(C)(C)C1CCC(OC[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000012381379 361380462 /nfs/dbraw/zinc/38/04/62/361380462.db2.gz IPTIIKDCJMQCEQ-HWOWSKLDSA-N 1 1 299.455 2.301 50 0 CEAAMO Cc1cc(NC(=O)NC[C@H](c2ccco2)[NH+](C)C)no1 ZINC000012925092 361409075 /nfs/dbraw/zinc/40/90/75/361409075.db2.gz PEKGHZWWGDLQJJ-SNVBAGLBSA-N 1 1 278.312 2.000 50 0 CEAAMO COc1cc2c(cc1OC)C[N@@H+](C1CCN(C)CC1)CC2 ZINC000016663279 361495356 /nfs/dbraw/zinc/49/53/56/361495356.db2.gz IXPWSGOJGYOZAQ-UHFFFAOYSA-N 1 1 290.407 2.156 50 0 CEAAMO COc1cc2c(cc1OC)C[N@H+](C1CCN(C)CC1)CC2 ZINC000016663279 361495359 /nfs/dbraw/zinc/49/53/59/361495359.db2.gz IXPWSGOJGYOZAQ-UHFFFAOYSA-N 1 1 290.407 2.156 50 0 CEAAMO CCc1c(C)scc1C(=O)N1CC[NH+](CC)CC1 ZINC000016603951 361492831 /nfs/dbraw/zinc/49/28/31/361492831.db2.gz PSRWFRRDDSXHNS-UHFFFAOYSA-N 1 1 266.410 2.397 50 0 CEAAMO Cc1cc([C@H]2CCC[N@@H+](Cc3ccncc3)C2)[nH]n1 ZINC000084072943 363796418 /nfs/dbraw/zinc/79/64/18/363796418.db2.gz PGMZLVQBMWOLGC-AWEZNQCLSA-N 1 1 256.353 2.493 50 0 CEAAMO Cc1cc([C@H]2CCC[N@H+](Cc3ccncc3)C2)n[nH]1 ZINC000084072943 363796421 /nfs/dbraw/zinc/79/64/21/363796421.db2.gz PGMZLVQBMWOLGC-AWEZNQCLSA-N 1 1 256.353 2.493 50 0 CEAAMO Cc1cc([C@H]2CCC[N@@H+](Cc3ccncc3)C2)n[nH]1 ZINC000084072943 363796424 /nfs/dbraw/zinc/79/64/24/363796424.db2.gz PGMZLVQBMWOLGC-AWEZNQCLSA-N 1 1 256.353 2.493 50 0 CEAAMO CC[NH+]1CCN(C(=O)CSc2ccc(C)cc2)CC1 ZINC000019849974 361563112 /nfs/dbraw/zinc/56/31/12/361563112.db2.gz KFUODRYBCPAQDZ-UHFFFAOYSA-N 1 1 278.421 2.251 50 0 CEAAMO CC[NH+](CC)CCNCCOc1ccccc1OC ZINC000019737640 361550135 /nfs/dbraw/zinc/55/01/35/361550135.db2.gz FHGJSDJNYYJZHA-UHFFFAOYSA-N 1 1 266.385 2.005 50 0 CEAAMO CC(C)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019782483 361553695 /nfs/dbraw/zinc/55/36/95/361553695.db2.gz FIHSWTGIOLHZJV-UHFFFAOYSA-N 1 1 260.381 2.377 50 0 CEAAMO COc1ccc(OCCCCN2CC[NH+](C)CC2)cc1 ZINC000019791164 361554277 /nfs/dbraw/zinc/55/42/77/361554277.db2.gz YMEHXURADGKCKT-UHFFFAOYSA-N 1 1 278.396 2.102 50 0 CEAAMO CC(C)(C)NC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000027790810 361659100 /nfs/dbraw/zinc/65/91/00/361659100.db2.gz KQZKAQYGUWTKMA-UHFFFAOYSA-N 1 1 275.396 2.312 50 0 CEAAMO C[C@@H]([NH2+]C[C@@H]1CCCn2ccnc21)c1nc(C2CC2)no1 ZINC000084667648 363818500 /nfs/dbraw/zinc/81/85/00/363818500.db2.gz RNOIEKJLWCXEBU-PWSUYJOCSA-N 1 1 287.367 2.372 50 0 CEAAMO [NH3+]CC(=O)c1cc(Br)sc1Br ZINC000087567900 363861537 /nfs/dbraw/zinc/86/15/37/363861537.db2.gz BXJPYMHKSTWINV-UHFFFAOYSA-N 1 1 298.987 2.415 50 0 CEAAMO Cc1cnc(C(C)(C)NC(=O)NCC[N@H+](C)C2CC2)s1 ZINC000089702360 363993822 /nfs/dbraw/zinc/99/38/22/363993822.db2.gz FQTAGIGONUHIJG-UHFFFAOYSA-N 1 1 296.440 2.080 50 0 CEAAMO Cc1[nH+]ccn1CCCCSc1nnc(N)s1 ZINC000089735634 363996514 /nfs/dbraw/zinc/99/65/14/363996514.db2.gz ZPOFYOSRIXLBDT-UHFFFAOYSA-N 1 1 269.399 2.198 50 0 CEAAMO CC(C)OCCN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000089887870 364013517 /nfs/dbraw/zinc/01/35/17/364013517.db2.gz XVVUCXDVMRSAOH-OAHLLOKOSA-N 1 1 254.418 2.362 50 0 CEAAMO C[C@@H]1C[N@H+](C)CCN1C(=O)C1(c2ccc(F)cc2)CC1 ZINC000089937834 364019105 /nfs/dbraw/zinc/01/91/05/364019105.db2.gz HKXJJXONTCTYJC-GFCCVEGCSA-N 1 1 276.355 2.020 50 0 CEAAMO C[C@@H]1C[N@@H+](C)CCN1C(=O)C1(c2ccc(F)cc2)CC1 ZINC000089937834 364019108 /nfs/dbraw/zinc/01/91/08/364019108.db2.gz HKXJJXONTCTYJC-GFCCVEGCSA-N 1 1 276.355 2.020 50 0 CEAAMO CCC[C@H](C(=O)Nc1cccc(C[S@@](C)=O)c1)[NH+](C)C ZINC000089949426 364021328 /nfs/dbraw/zinc/02/13/28/364021328.db2.gz QZNGDHJTASAGEQ-VLIAUNLRSA-N 1 1 296.436 2.234 50 0 CEAAMO CC(C)C[N@H+]1CC[C@@H](C(=O)NN2Cc3ccccc3C2)C1 ZINC000090124260 364041658 /nfs/dbraw/zinc/04/16/58/364041658.db2.gz JNUVBHAOSGQRMC-MRXNPFEDSA-N 1 1 287.407 2.011 50 0 CEAAMO C[N@H+]1CCC[C@@H](CN2CCN(c3ccccc3F)CC2)C1 ZINC000095350603 364343229 /nfs/dbraw/zinc/34/32/29/364343229.db2.gz KASFEUCALWFDSS-OAHLLOKOSA-N 1 1 291.414 2.290 50 0 CEAAMO CC(=O)NCCC[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000095349269 364342033 /nfs/dbraw/zinc/34/20/33/364342033.db2.gz YLWFTTQFWICPPV-CQSZACIVSA-N 1 1 290.363 2.078 50 0 CEAAMO Cc1csc(C[NH2+][C@@]2(CO)CCc3ccccc32)n1 ZINC000095429778 364374050 /nfs/dbraw/zinc/37/40/50/364374050.db2.gz XEOLIOMWACGQLB-OAHLLOKOSA-N 1 1 274.389 2.375 50 0 CEAAMO Cc1c(CNC[C@@H]2CCCC[N@@H+]2C(C)C)cnn1C ZINC000095440166 364378488 /nfs/dbraw/zinc/37/84/88/364378488.db2.gz CDLSIMUYQAWZFT-HNNXBMFYSA-N 1 1 264.417 2.081 50 0 CEAAMO Cc1c(C[NH2+]C[C@@H]2CCCCN2C(C)C)cnn1C ZINC000095440166 364378490 /nfs/dbraw/zinc/37/84/90/364378490.db2.gz CDLSIMUYQAWZFT-HNNXBMFYSA-N 1 1 264.417 2.081 50 0 CEAAMO Cc1[nH+]ccn1CCCOC(=O)c1ccc2c[nH]nc2c1 ZINC000095448046 364382239 /nfs/dbraw/zinc/38/22/39/364382239.db2.gz FKEQUICADFVKRH-UHFFFAOYSA-N 1 1 284.319 2.315 50 0 CEAAMO Nc1cc[nH+]c(N2CCC[C@H](c3nccn3CC3CC3)C2)n1 ZINC000095516368 364393597 /nfs/dbraw/zinc/39/35/97/364393597.db2.gz CBRMKQPIMRXQRI-ZDUSSCGKSA-N 1 1 298.394 2.049 50 0 CEAAMO Cc1ccc2cc(C(=O)N3CCC[N@H+](C)CC3)ccc2n1 ZINC000095972308 364395076 /nfs/dbraw/zinc/39/50/76/364395076.db2.gz VGKSLCJXOKHGEM-UHFFFAOYSA-N 1 1 283.375 2.321 50 0 CEAAMO C[N@H+]1CCC[C@@H]1Cc1ncnn1CC1CCCCC1 ZINC000096137270 364401885 /nfs/dbraw/zinc/40/18/85/364401885.db2.gz FZVYRPYHKXFCLK-CQSZACIVSA-N 1 1 262.401 2.495 50 0 CEAAMO CCCCSc1nc(NCc2cnn(C)c2)cc(N)[nH+]1 ZINC000095362666 364346451 /nfs/dbraw/zinc/34/64/51/364346451.db2.gz JFAZWMIMQLRTEU-UHFFFAOYSA-N 1 1 292.412 2.297 50 0 CEAAMO CCCCSc1nc(N)cc(NCc2cnn(C)c2)[nH+]1 ZINC000095362666 364346454 /nfs/dbraw/zinc/34/64/54/364346454.db2.gz JFAZWMIMQLRTEU-UHFFFAOYSA-N 1 1 292.412 2.297 50 0 CEAAMO C[N@H+]1CCC[C@H](CCC(=O)NCCCc2ccccn2)C1 ZINC000095366261 364347594 /nfs/dbraw/zinc/34/75/94/364347594.db2.gz BHDAVZLRPPPUGV-OAHLLOKOSA-N 1 1 289.423 2.252 50 0 CEAAMO CCc1cnc(NCCNc2[nH+]cccc2C)nc1 ZINC000095368047 364347894 /nfs/dbraw/zinc/34/78/94/364347894.db2.gz WQAFVBDPZRORFY-UHFFFAOYSA-N 1 1 257.341 2.266 50 0 CEAAMO Cc1cc(C)nc(NC[C@@H](CC(C)C)[NH+]2CCOCC2)n1 ZINC000097091636 364446387 /nfs/dbraw/zinc/44/63/87/364446387.db2.gz STFBDVCCGRTXID-OAHLLOKOSA-N 1 1 292.427 2.252 50 0 CEAAMO CCOC[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(F)cc1 ZINC000240971688 370781293 /nfs/dbraw/zinc/78/12/93/370781293.db2.gz UBDFHGVEOUTBFR-CQSZACIVSA-N 1 1 280.343 2.265 50 0 CEAAMO CCOC[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(F)cc1 ZINC000240971688 370781296 /nfs/dbraw/zinc/78/12/96/370781296.db2.gz UBDFHGVEOUTBFR-CQSZACIVSA-N 1 1 280.343 2.265 50 0 CEAAMO Cc1cccc2[nH]c(CC[N@H+](C)C[C@@H]3CCOC3)nc21 ZINC000097213026 364479571 /nfs/dbraw/zinc/47/95/71/364479571.db2.gz NAICIJVBIKUJGU-ZDUSSCGKSA-N 1 1 273.380 2.382 50 0 CEAAMO Cc1cccc2nc(CC[N@@H+](C)C[C@@H]3CCOC3)[nH]c21 ZINC000097213026 364479576 /nfs/dbraw/zinc/47/95/76/364479576.db2.gz NAICIJVBIKUJGU-ZDUSSCGKSA-N 1 1 273.380 2.382 50 0 CEAAMO Cc1cccc2nc(CC[N@H+](C)C[C@@H]3CCOC3)[nH]c21 ZINC000097213026 364479584 /nfs/dbraw/zinc/47/95/84/364479584.db2.gz NAICIJVBIKUJGU-ZDUSSCGKSA-N 1 1 273.380 2.382 50 0 CEAAMO CC(C)c1[nH+]ccn1CC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000097236190 364484197 /nfs/dbraw/zinc/48/41/97/364484197.db2.gz GPBRNFMEERMIKR-AWEZNQCLSA-N 1 1 299.374 2.126 50 0 CEAAMO c1cnn(-c2cccc(C[N@@H+]3CCc4nc[nH]c4C3)c2)c1 ZINC000097243944 364486013 /nfs/dbraw/zinc/48/60/13/364486013.db2.gz VGIKNDJNBHAWOJ-UHFFFAOYSA-N 1 1 279.347 2.154 50 0 CEAAMO c1cnn(-c2cccc(C[N@H+]3CCc4nc[nH]c4C3)c2)c1 ZINC000097243944 364486017 /nfs/dbraw/zinc/48/60/17/364486017.db2.gz VGIKNDJNBHAWOJ-UHFFFAOYSA-N 1 1 279.347 2.154 50 0 CEAAMO Cc1cccc(N2CCC[C@@H](CNC(=O)C(C)C)C2)[nH+]1 ZINC000157353787 366843822 /nfs/dbraw/zinc/84/38/22/366843822.db2.gz VQQXHYBSIZJLEO-AWEZNQCLSA-N 1 1 275.396 2.379 50 0 CEAAMO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1nc2ccccc2nc1C ZINC000097505325 364507024 /nfs/dbraw/zinc/50/70/24/364507024.db2.gz UWOCZNDTABEJMA-MRXNPFEDSA-N 1 1 298.390 2.039 50 0 CEAAMO CNC(=O)[C@H]1CCCC[N@H+]1Cc1nc2ccccc2nc1C ZINC000097505325 364507027 /nfs/dbraw/zinc/50/70/27/364507027.db2.gz UWOCZNDTABEJMA-MRXNPFEDSA-N 1 1 298.390 2.039 50 0 CEAAMO C[C@@H](c1c(F)cccc1F)[NH+]1CCC(NC(N)=O)CC1 ZINC000098018894 364522581 /nfs/dbraw/zinc/52/25/81/364522581.db2.gz NMFCAJHHRAKNHC-VIFPVBQESA-N 1 1 283.322 2.159 50 0 CEAAMO Cc1c[nH+]cn1CCCNC(=O)/C=C\c1ccco1 ZINC000098059592 364527854 /nfs/dbraw/zinc/52/78/54/364527854.db2.gz OPWWMNYJUBBBHH-WAYWQWQTSA-N 1 1 259.309 2.004 50 0 CEAAMO C[C@@H]1C[N@@H+](C)CCN1C(=O)/C=C\c1nc2ccccc2o1 ZINC000098055859 364527859 /nfs/dbraw/zinc/52/78/59/364527859.db2.gz FETFFIVRQSAQLI-QDZRJHCZSA-N 1 1 285.347 2.004 50 0 CEAAMO C[C@@H]1C[N@@H+](C)CCN1C(=O)/C=C\c1cccc2cccnc12 ZINC000098055825 364527911 /nfs/dbraw/zinc/52/79/11/364527911.db2.gz FDOIATUJAPLCMB-QIAWRQBBSA-N 1 1 295.386 2.411 50 0 CEAAMO CC(C)Oc1ccc(C[N@H+]2CCC[C@H]2CCO)cc1CO ZINC000097604318 364512714 /nfs/dbraw/zinc/51/27/14/364512714.db2.gz QRYXCOJEGAGNEE-INIZCTEOSA-N 1 1 293.407 2.313 50 0 CEAAMO C[N@H+](Cc1cnc2ccccc2n1)C[C@@H]1CCOC1 ZINC000097716723 364515912 /nfs/dbraw/zinc/51/59/12/364515912.db2.gz ALNCBGRRTPCUEL-LBPRGKRZSA-N 1 1 257.337 2.098 50 0 CEAAMO CN(C)c1ccc(C[N@@H+](C)[C@H]2Cc3ccccc3[C@H]2O)cn1 ZINC000241588236 370783191 /nfs/dbraw/zinc/78/31/91/370783191.db2.gz 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CC[NH+]1CCN(C(=S)Nc2ccccc2OC)CC1 ZINC000004560858 169983872 /nfs/dbraw/zinc/98/38/72/169983872.db2.gz BJAOHQKPJDQYHP-UHFFFAOYSA-N 1 1 279.409 2.030 50 0 CEAAMO CC(C)c1ccc(NC(=O)NN2CC[NH+](C)CC2)cc1 ZINC000004788340 170017793 /nfs/dbraw/zinc/01/77/93/170017793.db2.gz GRIFKAUKBHRCQJ-UHFFFAOYSA-N 1 1 276.384 2.094 50 0 CEAAMO C[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2F)C1 ZINC000005573773 170114894 /nfs/dbraw/zinc/11/48/94/170114894.db2.gz AKWNZXNKNCQAIP-QWHCGFSZSA-N 1 1 267.344 2.297 50 0 CEAAMO Cc1c(C)n(CC(C)C)c2nc[nH+]c(NCCCO)c12 ZINC000006669873 170224713 /nfs/dbraw/zinc/22/47/13/170224713.db2.gz KKCGKWHUPWCOEY-UHFFFAOYSA-N 1 1 276.384 2.498 50 0 CEAAMO COc1cc(C)ccc1OCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000020166859 171040879 /nfs/dbraw/zinc/04/08/79/171040879.db2.gz RFFRREGBHLGLNL-ZIAGYGMSSA-N 1 1 279.380 2.492 50 0 CEAAMO CCN1CC[NH+](CCOc2ccc(C)cc2C)CC1 ZINC000020325165 171151119 /nfs/dbraw/zinc/15/11/19/171151119.db2.gz KPAHZRFSYSZAGV-UHFFFAOYSA-N 1 1 262.397 2.320 50 0 CEAAMO CC[NH+]1CCN(C(=O)[C@H](C)Oc2cccc(Cl)c2)CC1 ZINC000020450454 171207717 /nfs/dbraw/zinc/20/77/17/171207717.db2.gz DPVRWYSYJUSTQO-LBPRGKRZSA-N 1 1 296.798 2.271 50 0 CEAAMO CC(C)[N@H+]1CCN(Cc2c(F)cccc2F)C[C@@H]1CCO ZINC000020455788 171208170 /nfs/dbraw/zinc/20/81/70/171208170.db2.gz UPPOMZKVZQDLNX-ZDUSSCGKSA-N 1 1 298.377 2.242 50 0 CEAAMO Cc1ccnc(-c2ccccc2C[NH+]2CCOCC2)n1 ZINC000020912384 171279081 /nfs/dbraw/zinc/27/90/81/171279081.db2.gz IKZDUMOSVJRMMD-UHFFFAOYSA-N 1 1 269.348 2.284 50 0 CEAAMO CC(C)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000040473435 174281867 /nfs/dbraw/zinc/28/18/67/174281867.db2.gz CKHREHIXQIPUKI-OAHLLOKOSA-N 1 1 260.381 2.423 50 0 CEAAMO CCCCc1ccc(C[N@H+](C)[C@H](C)C(N)=O)s1 ZINC000215987948 414842377 /nfs/dbraw/zinc/84/23/77/414842377.db2.gz UVRNHCRBMMWTJO-SNVBAGLBSA-N 1 1 254.399 2.396 50 0 CEAAMO CCCCc1ccc(C[N@@H+](C)[C@H](C)C(N)=O)s1 ZINC000215987948 414842381 /nfs/dbraw/zinc/84/23/81/414842381.db2.gz UVRNHCRBMMWTJO-SNVBAGLBSA-N 1 1 254.399 2.396 50 0 CEAAMO 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290175554 /nfs/dbraw/zinc/17/55/54/290175554.db2.gz SVQNNORJPCPTRE-JKSUJKDBSA-N 1 1 288.391 2.301 50 0 CEAAMO C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cccc(C(=O)[O-])c2)C1 ZINC000263433206 290175556 /nfs/dbraw/zinc/17/55/56/290175556.db2.gz SVQNNORJPCPTRE-JKSUJKDBSA-N 1 1 288.391 2.301 50 0 CEAAMO CC[NH+]1CCN(C(=S)c2ccccc2OC)CC1 ZINC000013547780 326840582 /nfs/dbraw/zinc/84/05/82/326840582.db2.gz BQLYBSRDXKRHLN-UHFFFAOYSA-N 1 1 264.394 2.008 50 0 CEAAMO Cc1cc(C)c(C[N@@H+]2CC[C@@](O)(CN(C)C)C2)c(C)c1 ZINC000072437969 327110580 /nfs/dbraw/zinc/11/05/80/327110580.db2.gz XQHPMFYNTZWWPU-QGZVFWFLSA-N 1 1 276.424 2.110 50 0 CEAAMO Cc1cc(C)c(CN2CC[C@@](O)(C[NH+](C)C)C2)c(C)c1 ZINC000072437969 327110583 /nfs/dbraw/zinc/11/05/83/327110583.db2.gz XQHPMFYNTZWWPU-QGZVFWFLSA-N 1 1 276.424 2.110 50 0 CEAAMO COc1c(F)cc([C@@H]2[NH2+]CCc3nc[nH]c32)cc1Cl ZINC000067982034 521859809 /nfs/dbraw/zinc/85/98/09/521859809.db2.gz AJBDHPYSHIGWBB-NSHDSACASA-N 1 1 281.718 2.446 50 0 CEAAMO CC(C)n1ccnc1CSCC[NH+]1CCOCC1 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C[N@H+]1CCC[C@H](OC(=O)/C(C#N)=C\c2ccccc2)C1 ZINC000006420422 631428083 /nfs/dbraw/zinc/42/80/83/631428083.db2.gz BWRSCUXIIDAKRO-LTBFUDJGSA-N 1 1 270.332 2.231 50 0 CEAAMO Fc1cccc(C2(CN[C@@H]3CCC[NH2+]C3)CCOCC2)c1 ZINC000067935197 641358464 /nfs/dbraw/zinc/35/84/64/641358464.db2.gz SQNHFJNGAPPPJJ-MRXNPFEDSA-N 1 1 292.398 2.216 50 0 CEAAMO Cc1cccc(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)n1 ZINC000200479867 642539791 /nfs/dbraw/zinc/53/97/91/642539791.db2.gz DQDXKVRFYURCCL-ZDUSSCGKSA-N 1 1 256.353 2.493 50 0 CEAAMO Cc1nnc([C@H]2CC[N@H+](CC3CC3)CCN2CC(C)C)[nH]1 ZINC000675014078 803774724 /nfs/dbraw/zinc/77/47/24/803774724.db2.gz SELPNATUXOKRSL-OAHLLOKOSA-N 1 1 291.443 2.228 50 0 CEAAMO Cc1nc([C@H]2CC[N@@H+](CC3CC3)CCN2CC(C)C)n[nH]1 ZINC000675014078 803774728 /nfs/dbraw/zinc/77/47/28/803774728.db2.gz SELPNATUXOKRSL-OAHLLOKOSA-N 1 1 291.443 2.228 50 0 CEAAMO Cc1nc([C@H]2CC[N@H+](CC3CC3)CCN2CC(C)C)n[nH]1 ZINC000675014078 803774732 /nfs/dbraw/zinc/77/47/32/803774732.db2.gz SELPNATUXOKRSL-OAHLLOKOSA-N 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/nfs/dbraw/zinc/42/71/78/370427178.db2.gz VYDFACXDDYZPHH-NILFDRSVSA-N 1 1 267.344 2.094 50 0 CEAAMO COc1ccc(C[N@@H+](C)CCC2(O)CCC2)cc1O ZINC000331921216 204295744 /nfs/dbraw/zinc/29/57/44/204295744.db2.gz VAACRGOPWXEANN-UHFFFAOYSA-N 1 1 265.353 2.138 50 0 CEAAMO c1ccc(N2CCC[N@H+](C[C@H]3CCC=CO3)CC2)nc1 ZINC000248881294 371262959 /nfs/dbraw/zinc/26/29/59/371262959.db2.gz KVLRSIOATHQHLB-OAHLLOKOSA-N 1 1 273.380 2.286 50 0 CEAAMO O[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(F)c(F)c3)C[C@H]12 ZINC000252867286 371484968 /nfs/dbraw/zinc/48/49/68/371484968.db2.gz MUTZHTVSWMOWED-UHIISALHSA-N 1 1 253.292 2.168 50 0 CEAAMO C[C@H]1C[N@@H+](CCCCC2CCOCC2)CC[C@@H]1O ZINC000252500977 371448239 /nfs/dbraw/zinc/44/82/39/371448239.db2.gz UAOJVKAOOKQXCF-ZFWWWQNUSA-N 1 1 255.402 2.286 50 0 CEAAMO CCS(=O)(=O)CC[N@@H+](C)C1[C@H](C)CCC[C@H]1C ZINC000252512605 371451165 /nfs/dbraw/zinc/45/11/65/371451165.db2.gz SUYDQOBMDIYGSD-VXGBXAGGSA-N 1 1 261.431 2.178 50 0 CEAAMO c1ccc2oc(NC[C@H]3C[N@H+]4CCC[C@H]4CO3)nc2c1 ZINC000252517856 371452889 /nfs/dbraw/zinc/45/28/89/371452889.db2.gz SVMGBWBLXMRQQA-RYUDHWBXSA-N 1 1 273.336 2.103 50 0 CEAAMO CC[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)CCOC(C)C ZINC000253374724 371511761 /nfs/dbraw/zinc/51/17/61/371511761.db2.gz NIGFKROKONDVQZ-HUUCEWRRSA-N 1 1 282.428 2.277 50 0 CEAAMO C[N@H+]1CCCC[C@H]1CCSc1nnc(CO)n1C1CC1 ZINC000253416163 371517896 /nfs/dbraw/zinc/51/78/96/371517896.db2.gz FJFHZBZJUOSBKJ-NSHDSACASA-N 1 1 296.440 2.072 50 0 CEAAMO OC[C@H]1C=C[C@@H](Nc2cc[nH+]cc2Br)C1 ZINC000253415480 371518507 /nfs/dbraw/zinc/51/85/07/371518507.db2.gz IFYDYUUFYHVYAT-DTWKUNHWSA-N 1 1 269.142 2.193 50 0 CEAAMO COC[C@@H]1C[N@H+](C/C(C)=C\c2ccccc2)CCO1 ZINC000255501681 371592215 /nfs/dbraw/zinc/59/22/15/371592215.db2.gz SHEQDZRPACJGGJ-DNXIFWLFSA-N 1 1 261.365 2.437 50 0 CEAAMO COC[C@@H]1C[N@@H+](C/C(C)=C\c2ccccc2)CCO1 ZINC000255501681 371592221 /nfs/dbraw/zinc/59/22/21/371592221.db2.gz SHEQDZRPACJGGJ-DNXIFWLFSA-N 1 1 261.365 2.437 50 0 CEAAMO CN(C[C@H]1CC[N@@H+](C)C1)c1cnc2ccccc2n1 ZINC000264121478 190092165 /nfs/dbraw/zinc/09/21/65/190092165.db2.gz OAXKGGTZPROHTQ-LBPRGKRZSA-N 1 1 256.353 2.018 50 0 CEAAMO Cn1ccc2ccc(CN3C[C@H]4CC[C@@H](C3)[C@@H]4[NH3+])cc21 ZINC000426478845 377410404 /nfs/dbraw/zinc/41/04/04/377410404.db2.gz FLFZYJFPAMSDRK-SCAQPMJSSA-N 1 1 269.392 2.347 50 0 CEAAMO CN(Cc1ccsc1)c1cc([C@@H]2CCOC2)[nH+]c(N)n1 ZINC000426487360 377410667 /nfs/dbraw/zinc/41/06/67/377410667.db2.gz MBBWJLUSNOHIPF-LLVKDONJSA-N 1 1 290.392 2.091 50 0 CEAAMO C[C@@H](C(=O)[O-])[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000299751738 379127720 /nfs/dbraw/zinc/12/77/20/379127720.db2.gz RMJYKBDZZLQRBT-UONOGXRCSA-N 1 1 268.401 2.048 50 0 CEAAMO COc1cc(NC(=O)NCC[C@@H]2CCC[N@H+]2C)ccc1F ZINC000299764097 379128941 /nfs/dbraw/zinc/12/89/41/379128941.db2.gz SCZQQFVLIOBPAH-LBPRGKRZSA-N 1 1 295.358 2.440 50 0 CEAAMO CN(C(=O)Nc1ccc(-n2cccn2)cc1)[C@@H]1CC[N@@H+](C)C1 ZINC000299792196 379140532 /nfs/dbraw/zinc/14/05/32/379140532.db2.gz FKEKCDIKZHMEOH-OAHLLOKOSA-N 1 1 299.378 2.040 50 0 CEAAMO O=C([C@@H]1CCC[N@@H+](CC2=CCCCC2)C1)N1CCOCC1 ZINC000334748962 207011952 /nfs/dbraw/zinc/01/19/52/207011952.db2.gz LRCUPLPRFSRHEG-MRXNPFEDSA-N 1 1 292.423 2.058 50 0 CEAAMO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](Cc2ccc(CO)o2)C1 ZINC000096499959 533161206 /nfs/dbraw/zinc/16/12/06/533161206.db2.gz JDCXOXSJYXVVNG-GFCCVEGCSA-N 1 1 295.379 2.183 50 0 CEAAMO COC(=O)c1ccc(Cl)c(C[N@@H+](C)CC(C)(C)O)c1 ZINC000097080401 292011629 /nfs/dbraw/zinc/01/16/29/292011629.db2.gz MXWYISMDAMLZPT-UHFFFAOYSA-N 1 1 285.771 2.329 50 0 CEAAMO CCOC(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](C)CC3 ZINC000019858060 394470643 /nfs/dbraw/zinc/47/06/43/394470643.db2.gz CLFWJTOJPVAQQX-UHFFFAOYSA-N 1 1 258.321 2.333 50 0 CEAAMO CCOC(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](C)CC3 ZINC000019858060 394470647 /nfs/dbraw/zinc/47/06/47/394470647.db2.gz CLFWJTOJPVAQQX-UHFFFAOYSA-N 1 1 258.321 2.333 50 0 CEAAMO Cc1cc(NC(=O)C[N@H+](C)[C@@H](C)CC(C)C)on1 ZINC000027140362 394479198 /nfs/dbraw/zinc/47/91/98/394479198.db2.gz NJXRIDVCGQWZOT-NSHDSACASA-N 1 1 253.346 2.288 50 0 CEAAMO CC(C)(C)OC(=O)[C@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000034751367 394493180 /nfs/dbraw/zinc/49/31/80/394493180.db2.gz BCIXAFNTAKZNCN-GFCCVEGCSA-N 1 1 260.337 2.379 50 0 CEAAMO Cc1cnccc1C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000244872991 394496531 /nfs/dbraw/zinc/49/65/31/394496531.db2.gz WHZRSFZGHXJKHP-CQSZACIVSA-N 1 1 256.353 2.493 50 0 CEAAMO CC(C)=CC[N@H+]1C[C@H]2CC[C@@H]1CN(c1ncccn1)C2 ZINC000091745197 394659078 /nfs/dbraw/zinc/65/90/78/394659078.db2.gz ZAZPUCCUUILBBS-HUUCEWRRSA-N 1 1 272.396 2.343 50 0 CEAAMO Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](CCS(C)(=O)=O)C1 ZINC000076388177 394617205 /nfs/dbraw/zinc/61/72/05/394617205.db2.gz BVHGEAJPVKRCLO-UONOGXRCSA-N 1 1 281.421 2.217 50 0 CEAAMO Cn1cc(C[N@@H+](C)CCc2nc(-c3ccccc3)no2)cn1 ZINC000077247454 394620336 /nfs/dbraw/zinc/62/03/36/394620336.db2.gz PVGAMSYCTDPROE-UHFFFAOYSA-N 1 1 297.362 2.145 50 0 CEAAMO CC(C)OCCN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000089887868 394650609 /nfs/dbraw/zinc/65/06/09/394650609.db2.gz XVVUCXDVMRSAOH-HNNXBMFYSA-N 1 1 254.418 2.362 50 0 CEAAMO CCc1cnc(N2CCN(c3cccc(C)[nH+]3)CC2)nc1 ZINC000095358567 394671951 /nfs/dbraw/zinc/67/19/51/394671951.db2.gz UBLKPZLOZSEBGU-UHFFFAOYSA-N 1 1 283.379 2.069 50 0 CEAAMO CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC000096411307 394682661 /nfs/dbraw/zinc/68/26/61/394682661.db2.gz PVMOWSOUGOKKOF-ZFWWWQNUSA-N 1 1 284.444 2.284 50 0 CEAAMO COC[C@@H](O)C[N@@H+](Cc1ccoc1)C1CCCCC1 ZINC000096424739 394688361 /nfs/dbraw/zinc/68/83/61/394688361.db2.gz TWUYJJXLDMFCMC-HNNXBMFYSA-N 1 1 267.369 2.422 50 0 CEAAMO CCN(CC)C(=O)C1([NH2+]Cc2ccno2)CCCCC1 ZINC000096424419 394688385 /nfs/dbraw/zinc/68/83/85/394688385.db2.gz FTSOGZSMCFKMSI-UHFFFAOYSA-N 1 1 279.384 2.336 50 0 CEAAMO COCCC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000096433125 394691882 /nfs/dbraw/zinc/69/18/82/394691882.db2.gz REEQYDCWVNYNFQ-HNNXBMFYSA-N 1 1 290.407 2.146 50 0 CEAAMO CC(C)N1CCC[C@H]([N@@H+]2CCOC3(CCCC3)C2)C1=O ZINC000098020506 394700970 /nfs/dbraw/zinc/70/09/70/394700970.db2.gz XHEAISBNVYIMGN-AWEZNQCLSA-N 1 1 280.412 2.031 50 0 CEAAMO CC(C)N1CCC[C@H]([N@H+]2CCOC3(CCCC3)C2)C1=O ZINC000098020506 394700972 /nfs/dbraw/zinc/70/09/72/394700972.db2.gz XHEAISBNVYIMGN-AWEZNQCLSA-N 1 1 280.412 2.031 50 0 CEAAMO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC=CCC1 ZINC000098013144 394701130 /nfs/dbraw/zinc/70/11/30/394701130.db2.gz OAKAPKJNOWCZCW-UONOGXRCSA-N 1 1 250.386 2.474 50 0 CEAAMO N[C@@H]1CC[N@@H+](C2CCN(c3ccccc3Cl)CC2)C1 ZINC000426574829 395077584 /nfs/dbraw/zinc/07/75/84/395077584.db2.gz UWMUMFSQXVJDPZ-GFCCVEGCSA-N 1 1 279.815 2.342 50 0 CEAAMO N[C@@H]1CC[N@H+](C2CCN(c3ccccc3Cl)CC2)C1 ZINC000426574829 395077587 /nfs/dbraw/zinc/07/75/87/395077587.db2.gz UWMUMFSQXVJDPZ-GFCCVEGCSA-N 1 1 279.815 2.342 50 0 CEAAMO Cc1ccc(C)c([C@H]2CCC[N@H+]2CCCS(N)(=O)=O)c1 ZINC000177883676 395158162 /nfs/dbraw/zinc/15/81/62/395158162.db2.gz NSQOZHQTIVBSOC-OAHLLOKOSA-N 1 1 296.436 2.119 50 0 CEAAMO CC1=CCC[C@@H](C)[C@@H]1C[N@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000191078617 395348352 /nfs/dbraw/zinc/34/83/52/395348352.db2.gz XSIGAKAXJXQMGW-UKRRQHHQSA-N 1 1 287.407 2.131 50 0 CEAAMO Cc1nnc([C@@H]2CCC[N@@H+](CCc3cccc(C)n3)C2)[nH]1 ZINC000566156635 395503249 /nfs/dbraw/zinc/50/32/49/395503249.db2.gz ZNTRTZYNZCEQKD-CQSZACIVSA-N 1 1 285.395 2.239 50 0 CEAAMO Cc1n[nH]c([C@@H]2CCC[N@H+](CCc3cccc(C)n3)C2)n1 ZINC000566156635 395503252 /nfs/dbraw/zinc/50/32/52/395503252.db2.gz ZNTRTZYNZCEQKD-CQSZACIVSA-N 1 1 285.395 2.239 50 0 CEAAMO Cc1n[nH]c([C@@H]2CCC[N@@H+](CCc3cccc(C)n3)C2)n1 ZINC000566156635 395503254 /nfs/dbraw/zinc/50/32/54/395503254.db2.gz ZNTRTZYNZCEQKD-CQSZACIVSA-N 1 1 285.395 2.239 50 0 CEAAMO Cc1nc([C@@H]2CCC[N@H+](CCc3cccc(C)n3)C2)n[nH]1 ZINC000566156635 395503258 /nfs/dbraw/zinc/50/32/58/395503258.db2.gz ZNTRTZYNZCEQKD-CQSZACIVSA-N 1 1 285.395 2.239 50 0 CEAAMO Cc1nc([C@@H]2CCC[N@@H+](CCc3cccc(C)n3)C2)n[nH]1 ZINC000566156635 395503260 /nfs/dbraw/zinc/50/32/60/395503260.db2.gz ZNTRTZYNZCEQKD-CQSZACIVSA-N 1 1 285.395 2.239 50 0 CEAAMO Cc1ccc(OCCCC[NH+]2CCNCC2)cc1C ZINC000019831591 400105239 /nfs/dbraw/zinc/10/52/39/400105239.db2.gz BBVCOEHODVLCTO-UHFFFAOYSA-N 1 1 262.397 2.368 50 0 CEAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)c2ccco2)ccn1 ZINC000047012866 400171577 /nfs/dbraw/zinc/17/15/77/400171577.db2.gz IIEQYTGARKHGNJ-UHFFFAOYSA-N 1 1 282.303 2.099 50 0 CEAAMO C[C@H](C(N)=O)[N@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000047274012 400175527 /nfs/dbraw/zinc/17/55/27/400175527.db2.gz CTPXQPSXOSJXEM-SNVBAGLBSA-N 1 1 287.338 2.270 50 0 CEAAMO C[C@H](C(N)=O)[N@@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000047274012 400175535 /nfs/dbraw/zinc/17/55/35/400175535.db2.gz CTPXQPSXOSJXEM-SNVBAGLBSA-N 1 1 287.338 2.270 50 0 CEAAMO CC[C@@H](C)C(=O)NCc1ccnc(-n2cc[nH+]c2C)c1 ZINC000047011928 400171481 /nfs/dbraw/zinc/17/14/81/400171481.db2.gz XBDVDIYYWWCEAU-LLVKDONJSA-N 1 1 272.352 2.238 50 0 CEAAMO C[C@H](C(=O)NCc1ncccc1F)[N@@H+]1[C@H](C)CC[C@@H]1C 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C[C@@H](c1ccsc1)[NH+]1CCN(Cc2cnn(C)c2)CC1 ZINC000097378909 364496561 /nfs/dbraw/zinc/49/65/61/364496561.db2.gz LENLZNYCYXTMOI-ZDUSSCGKSA-N 1 1 290.436 2.360 50 0 CEAAMO CC(C)C[N@H+]1CCN(Cc2ccccc2)C[C@H]1CCO ZINC000104395612 364696146 /nfs/dbraw/zinc/69/61/46/364696146.db2.gz QLQUMNCBHMYGCX-QGZVFWFLSA-N 1 1 276.424 2.211 50 0 CEAAMO c1ccc2c(c1)ncnc2N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000106627253 364707311 /nfs/dbraw/zinc/70/73/11/364707311.db2.gz OLUYWGCJXWKLQE-ZDUSSCGKSA-N 1 1 268.364 2.304 50 0 CEAAMO CCn1ccnc1CN1C[C@H]2CC[C@H](C[N@@H+]2CC2CC2)C1 ZINC000244685581 370794891 /nfs/dbraw/zinc/79/48/91/370794891.db2.gz ISRDNOAYMRDMJV-JKSUJKDBSA-N 1 1 288.439 2.209 50 0 CEAAMO C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CCN1CCO[C@H](C)C1 ZINC000241774047 370785504 /nfs/dbraw/zinc/78/55/04/370785504.db2.gz RMOUFRPEMKNKCN-KLHDSHLOSA-N 1 1 266.429 2.360 50 0 CEAAMO OCC[N@H+](Cc1ccccc1F)C[C@@H]1CCCOC1 ZINC000244724707 370797737 /nfs/dbraw/zinc/79/77/37/370797737.db2.gz MZDGUCZCBISVPL-ZDUSSCGKSA-N 1 1 267.344 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374682122 /nfs/dbraw/zinc/68/21/22/374682122.db2.gz PLNXXSVHPJBJOK-YPMHNXCESA-N 1 1 294.399 2.145 50 0 CEAAMO C[N@@H+](Cc1ccncc1)[C@@H](CC(N)=O)c1ccccc1 ZINC000280287846 375158885 /nfs/dbraw/zinc/15/88/85/375158885.db2.gz DWYIODKUSQYMAS-HNNXBMFYSA-N 1 1 269.348 2.130 50 0 CEAAMO Cc1nnc(N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)o1 ZINC000283411290 375702970 /nfs/dbraw/zinc/70/29/70/375702970.db2.gz AWXNSQUHFXFAHT-CQSZACIVSA-N 1 1 272.352 2.455 50 0 CEAAMO C[C@@H]1CCCC[N@H+]1C1CN(C(=O)c2cc(C(F)F)n[nH]2)C1 ZINC000426526289 377414557 /nfs/dbraw/zinc/41/45/57/377414557.db2.gz QTMAWCDYAXWXIB-SECBINFHSA-N 1 1 298.337 2.046 50 0 CEAAMO Cc1cc(C)n([C@@H]2CC[N@@H+](CCc3c(C)n[nH]c3C)C2)n1 ZINC000299763891 379130368 /nfs/dbraw/zinc/13/03/68/379130368.db2.gz YMZLLZMWGRAWQL-OAHLLOKOSA-N 1 1 287.411 2.329 50 0 CEAAMO C[N@@H+](CCCNC(=O)Nc1ccc[nH]c1=O)C1CCCC1 ZINC000299782101 379136902 /nfs/dbraw/zinc/13/69/02/379136902.db2.gz VEHYXDSWLBBISN-UHFFFAOYSA-N 1 1 292.383 2.173 50 0 CEAAMO 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364356937 /nfs/dbraw/zinc/35/69/37/364356937.db2.gz MUXKNSTZMLTYGC-CYBMUJFWSA-N 1 1 265.357 2.332 50 0 CEAAMO C[N@H+](Cc1ccncc1)[C@H](CO)c1cccc(F)c1 ZINC000095401525 364359551 /nfs/dbraw/zinc/35/95/51/364359551.db2.gz OJIPRWBRLBOIJT-OAHLLOKOSA-N 1 1 260.312 2.386 50 0 CEAAMO C[N@@H+](Cc1ccncc1)[C@H](CO)c1cccc(F)c1 ZINC000095401525 364359556 /nfs/dbraw/zinc/35/95/56/364359556.db2.gz OJIPRWBRLBOIJT-OAHLLOKOSA-N 1 1 260.312 2.386 50 0 CEAAMO CCOC[C@H](O)C[N@@H+]1CC=C(c2cccc(F)c2)CC1 ZINC000095432260 364374753 /nfs/dbraw/zinc/37/47/53/364374753.db2.gz INIFXVSKMGTMJS-MRXNPFEDSA-N 1 1 279.355 2.312 50 0 CEAAMO c1ccc(-c2nc3c([nH]2)C[N@@H+](C[C@H]2CCOC2)CC3)cc1 ZINC000095497533 364391312 /nfs/dbraw/zinc/39/13/12/364391312.db2.gz WILRBYRJDQFMEK-CYBMUJFWSA-N 1 1 283.375 2.471 50 0 CEAAMO COC(=O)c1ccc(C[N@H+]2[C@@H](C)CCC[C@H]2CO)s1 ZINC000095999287 364397620 /nfs/dbraw/zinc/39/76/20/364397620.db2.gz RTYJWFHTXMTYIJ-QWRGUYRKSA-N 1 1 283.393 2.270 50 0 CEAAMO 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/nfs/dbraw/zinc/48/53/64/361485364.db2.gz RFFRREGBHLGLNL-OKILXGFUSA-N 1 1 279.380 2.492 50 0 CEAAMO COc1cc(C)ccc1OCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000016247203 361485369 /nfs/dbraw/zinc/48/53/69/361485369.db2.gz RFFRREGBHLGLNL-OKILXGFUSA-N 1 1 279.380 2.492 50 0 CEAAMO O=C(CC[NH+]1CCOCC1)Nc1ccccc1Cl ZINC000019841540 361561571 /nfs/dbraw/zinc/56/15/71/361561571.db2.gz YTUIVNUZPWPPHO-UHFFFAOYSA-N 1 1 268.744 2.001 50 0 CEAAMO CCOc1ccc(Cl)cc1CNCC[NH+](C)C ZINC000019871936 361564434 /nfs/dbraw/zinc/56/44/34/361564434.db2.gz ILDZSFFSECGICJ-UHFFFAOYSA-N 1 1 256.777 2.390 50 0 CEAAMO Cc1ccc(OC[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1C ZINC000019607320 361545143 /nfs/dbraw/zinc/54/51/43/361545143.db2.gz QUVZIQUWTPJJTD-BZUAXINKSA-N 1 1 293.407 2.152 50 0 CEAAMO CC[NH+]1CCN(C(=O)CCCc2ccccc2)CC1 ZINC000019940043 361568763 /nfs/dbraw/zinc/56/87/63/361568763.db2.gz JUIYGBWMZAEVEP-UHFFFAOYSA-N 1 1 260.381 2.173 50 0 CEAAMO Cc1ccc(C[NH+]2CCN(c3ncccn3)CC2)s1 ZINC000023281537 361597279 /nfs/dbraw/zinc/59/72/79/361597279.db2.gz LYDZEZXRJNGHNY-UHFFFAOYSA-N 1 1 274.393 2.169 50 0 CEAAMO C[C@H](C(=O)Nc1ccc(Cl)cn1)[NH+]1CCCC1 ZINC000023695039 361603332 /nfs/dbraw/zinc/60/33/32/361603332.db2.gz DTFKAJPFBOJTKP-SECBINFHSA-N 1 1 253.733 2.158 50 0 CEAAMO O=Cc1cccnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000020246664 361582381 /nfs/dbraw/zinc/58/23/81/361582381.db2.gz BEBTWJZTZYJLQZ-UHFFFAOYSA-N 1 1 281.359 2.216 50 0 CEAAMO Cc1occc1C[NH+]1CCN(c2nc(C)cnc2C)CC1 ZINC000020856035 361584657 /nfs/dbraw/zinc/58/46/57/361584657.db2.gz HZCGZKDODDDMCZ-UHFFFAOYSA-N 1 1 286.379 2.317 50 0 CEAAMO COc1ccc(C[C@H](C)[N@@H+](C)CCN(C)C)cc1 ZINC000022917018 361589544 /nfs/dbraw/zinc/58/95/44/361589544.db2.gz DUPJRRMBRJNZNW-ZDUSSCGKSA-N 1 1 250.386 2.120 50 0 CEAAMO COc1ccc(C[C@H](C)N(C)CC[NH+](C)C)cc1 ZINC000022917018 361589553 /nfs/dbraw/zinc/58/95/53/361589553.db2.gz DUPJRRMBRJNZNW-ZDUSSCGKSA-N 1 1 250.386 2.120 50 0 CEAAMO O=C(C[N@H+]1CCC[C@H]1c1ccc(F)cc1)NC1CC1 ZINC000025360213 361623734 /nfs/dbraw/zinc/62/37/34/361623734.db2.gz STBIKURBEOEFTK-AWEZNQCLSA-N 1 1 262.328 2.241 50 0 CEAAMO O=C(C[N@@H+]1CCC[C@H]1c1ccc(F)cc1)NC1CC1 ZINC000025360213 361623740 /nfs/dbraw/zinc/62/37/40/361623740.db2.gz STBIKURBEOEFTK-AWEZNQCLSA-N 1 1 262.328 2.241 50 0 CEAAMO C[C@@H](C(=O)c1c[nH]c2ccccc12)[NH+]1CCC(O)CC1 ZINC000026858903 361646234 /nfs/dbraw/zinc/64/62/34/361646234.db2.gz DIHLMOXXZFIEMM-NSHDSACASA-N 1 1 272.348 2.196 50 0 CEAAMO CNC(=O)C[N@H+](Cc1cccc(Br)c1)C1CC1 ZINC000027229982 361650426 /nfs/dbraw/zinc/65/04/26/361650426.db2.gz RVAUSCRFKBNARI-UHFFFAOYSA-N 1 1 297.196 2.160 50 0 CEAAMO CNC(=O)C[N@@H+](Cc1cccc(Br)c1)C1CC1 ZINC000027229982 361650432 /nfs/dbraw/zinc/65/04/32/361650432.db2.gz RVAUSCRFKBNARI-UHFFFAOYSA-N 1 1 297.196 2.160 50 0 CEAAMO COc1ccc(NC(=O)N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000027932560 361663356 /nfs/dbraw/zinc/66/33/56/361663356.db2.gz LAVMYAXYBXVATC-ZDUSSCGKSA-N 1 1 275.352 2.007 50 0 CEAAMO COc1ncccc1C[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000030901281 361705321 /nfs/dbraw/zinc/70/53/21/361705321.db2.gz FDKPZSKFICVJEO-UHFFFAOYSA-N 1 1 286.331 2.151 50 0 CEAAMO COCC[N@@H+](C)CCCNC(=O)Nc1cccc(C)c1 ZINC000031096416 361708388 /nfs/dbraw/zinc/70/83/88/361708388.db2.gz GOJMYYYGGZUMSD-UHFFFAOYSA-N 1 1 279.384 2.085 50 0 CEAAMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)[C@@H]2CCCO2)C1 ZINC000084689480 363819672 /nfs/dbraw/zinc/81/96/72/363819672.db2.gz SCAFLRXOPHIBSO-BARDWOONSA-N 1 1 280.412 2.029 50 0 CEAAMO Cc1ccccc1CCC[N@H+](C)C1CCS(=O)(=O)CC1 ZINC000084696367 363819918 /nfs/dbraw/zinc/81/99/18/363819918.db2.gz GYWJZJLKTIUNNT-UHFFFAOYSA-N 1 1 295.448 2.437 50 0 CEAAMO O=C1CC[N@@H+](Cc2ccccc2OC2CCCC2)CCN1 ZINC000093101497 364141389 /nfs/dbraw/zinc/14/13/89/364141389.db2.gz ACICOBUGRURSES-UHFFFAOYSA-N 1 1 288.391 2.330 50 0 CEAAMO C[C@@H]([NH2+]C1CN(C(=O)OC(C)(C)C)C1)c1ccc(F)cn1 ZINC000092766953 364106062 /nfs/dbraw/zinc/10/60/62/364106062.db2.gz BDGXTRRLGPQWQP-SNVBAGLBSA-N 1 1 295.358 2.491 50 0 CEAAMO C[N@H+](CCN1CCCC1=O)Cc1cc(-c2ccccc2)n[nH]1 ZINC000093320506 364164660 /nfs/dbraw/zinc/16/46/60/364164660.db2.gz QOKNHGCGFWQURV-UHFFFAOYSA-N 1 1 298.390 2.131 50 0 CEAAMO C[N@@H+](CCN1CCCC1=O)Cc1cc(-c2ccccc2)n[nH]1 ZINC000093320506 364164661 /nfs/dbraw/zinc/16/46/61/364164661.db2.gz QOKNHGCGFWQURV-UHFFFAOYSA-N 1 1 298.390 2.131 50 0 CEAAMO O=c1cc(C[N@@H+](C2CC2)C2Cc3ccccc3C2)occ1O ZINC000095398985 364357960 /nfs/dbraw/zinc/35/79/60/364357960.db2.gz YJWLYOUCCFPNJO-UHFFFAOYSA-N 1 1 297.354 2.477 50 0 CEAAMO Cc1nc(Cl)ccc1C[N@@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000095442971 364380292 /nfs/dbraw/zinc/38/02/92/364380292.db2.gz CWSYPUFKIFMTST-CABZTGNLSA-N 1 1 281.787 2.129 50 0 CEAAMO Cc1ccc(N2CCN(c3cc(N)[nH+]cn3)[C@H](C)C2)cc1 ZINC000095531817 364393616 /nfs/dbraw/zinc/39/36/16/364393616.db2.gz KFEBZDZCDGCWGS-CYBMUJFWSA-N 1 1 283.379 2.082 50 0 CEAAMO C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Nc1cccnn1 ZINC000095987454 364396448 /nfs/dbraw/zinc/39/64/48/364396448.db2.gz VEQJLGRKPQDAHP-ZDUSSCGKSA-N 1 1 299.378 2.119 50 0 CEAAMO CC(C)c1ccnc(N(C)CCCc2[nH+]ccn2C)n1 ZINC000095359364 364345374 /nfs/dbraw/zinc/34/53/74/364345374.db2.gz KJRCJVXDYSYWEB-UHFFFAOYSA-N 1 1 273.384 2.403 50 0 CEAAMO CSCCCNC(=O)[C@@H](c1cccc(C)c1)[NH+](C)C ZINC000095364408 364346637 /nfs/dbraw/zinc/34/66/37/364346637.db2.gz VMUSRZNGJUHHMO-CQSZACIVSA-N 1 1 280.437 2.467 50 0 CEAAMO Cc1cccc([C@H](C(=O)NCCc2cccnc2)[NH+](C)C)c1 ZINC000095372365 364349388 /nfs/dbraw/zinc/34/93/88/364349388.db2.gz PAOCRNIGFZILDV-QGZVFWFLSA-N 1 1 297.402 2.352 50 0 CEAAMO C[NH+](C)[C@@H](C(=O)NCC(F)(F)F)c1ccc(F)cc1 ZINC000095376400 364351779 /nfs/dbraw/zinc/35/17/79/364351779.db2.gz ADMQDBHFJNKJLO-SNVBAGLBSA-N 1 1 278.249 2.107 50 0 CEAAMO Cc1ccc(O)c(C[N@H+]2CCC[C@@H](C3(C)OCCO3)C2)n1 ZINC000097108683 364453653 /nfs/dbraw/zinc/45/36/53/364453653.db2.gz QMUHRIOJKYELOD-CYBMUJFWSA-N 1 1 292.379 2.071 50 0 CEAAMO CCOC(=O)N[C@@H]1CCCN(c2cccc(C)[nH+]2)C1 ZINC000157113283 366840880 /nfs/dbraw/zinc/84/08/80/366840880.db2.gz XWSVJMHVRNJMFO-GFCCVEGCSA-N 1 1 263.341 2.105 50 0 CEAAMO C[N@@H+](Cc1c[nH]nc1-c1cccnc1)Cc1ccncc1 ZINC000097113732 364456381 /nfs/dbraw/zinc/45/63/81/364456381.db2.gz LJKPPIMQRMSRIU-UHFFFAOYSA-N 1 1 279.347 2.499 50 0 CEAAMO Cc1cccc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)[nH+]1 ZINC000097163379 364469070 /nfs/dbraw/zinc/46/90/70/364469070.db2.gz HGWAPCXRYNPOPK-LBPRGKRZSA-N 1 1 277.368 2.493 50 0 CEAAMO Cc1cccc(NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)n1 ZINC000097163402 364469079 /nfs/dbraw/zinc/46/90/79/364469079.db2.gz XQHZKRJLUKREJY-IAGOWNOFSA-N 1 1 297.402 2.437 50 0 CEAAMO Cc1nc(C[NH+]2CCC(c3cn[nH]c3)CC2)oc1C ZINC000097202821 364478056 /nfs/dbraw/zinc/47/80/56/364478056.db2.gz PXUGHWXANDLHJA-UHFFFAOYSA-N 1 1 260.341 2.394 50 0 CEAAMO C[C@H]1C[N@@H+](C)CCN1C(=O)/C=C\c1cccc2cccnc12 ZINC000098055826 364527876 /nfs/dbraw/zinc/52/78/76/364527876.db2.gz FDOIATUJAPLCMB-CKXPSTMWSA-N 1 1 295.386 2.411 50 0 CEAAMO Cc1ccsc1C[N@H+](C)C[C@H](O)COC(C)C ZINC000098076181 364530840 /nfs/dbraw/zinc/53/08/40/364530840.db2.gz QVUHPLXPKNHFSD-LBPRGKRZSA-N 1 1 257.399 2.274 50 0 CEAAMO O=C(C[N@@H+](C[C@@H]1CCCO1)[C@@H]1C=CCCC1)N1CCCC1 ZINC000110642052 364722999 /nfs/dbraw/zinc/72/29/99/364722999.db2.gz XGAXJIGFINGYCI-CVEARBPZSA-N 1 1 292.423 2.199 50 0 CEAAMO C[C@H]1c2ccsc2CC[N@@H+]1CCC(=O)N(C)C ZINC000170607735 291326717 /nfs/dbraw/zinc/32/67/17/291326717.db2.gz NKQGUZDSRJXUPM-JTQLQIEISA-N 1 1 252.383 2.146 50 0 CEAAMO COCCOc1cccc(C[NH+]2[C@@H](C)CN(C)C[C@@H]2C)c1 ZINC000241588231 370783608 /nfs/dbraw/zinc/78/36/08/370783608.db2.gz PBBVZIGCBNJYDR-GJZGRUSLSA-N 1 1 292.423 2.236 50 0 CEAAMO CCc1ccc(CN2CCC(O)(C[NH+]3CCCC3)CC2)o1 ZINC000216382188 189703478 /nfs/dbraw/zinc/70/34/78/189703478.db2.gz WXYOLQPJIYWHCJ-UHFFFAOYSA-N 1 1 292.423 2.265 50 0 CEAAMO C[NH+]1CCN(CCc2ccc(Br)cc2)CC1 ZINC000115632423 365019846 /nfs/dbraw/zinc/01/98/46/365019846.db2.gz LSYXAGOZVVZUPU-UHFFFAOYSA-N 1 1 283.213 2.239 50 0 CEAAMO Cc1ccsc1C[N@H+](CCO)C[C@H]1CCCCN1C ZINC000243900917 370790489 /nfs/dbraw/zinc/79/04/89/370790489.db2.gz AXNKXUMIUQJJHO-CQSZACIVSA-N 1 1 282.453 2.335 50 0 CEAAMO Cc1ccsc1CN(CCO)C[C@H]1CCCC[N@H+]1C ZINC000243900917 370790491 /nfs/dbraw/zinc/79/04/91/370790491.db2.gz AXNKXUMIUQJJHO-CQSZACIVSA-N 1 1 282.453 2.335 50 0 CEAAMO Cc1ccsc1CN(CCO)C[C@H]1CCCC[N@@H+]1C ZINC000243900917 370790492 /nfs/dbraw/zinc/79/04/92/370790492.db2.gz AXNKXUMIUQJJHO-CQSZACIVSA-N 1 1 282.453 2.335 50 0 CEAAMO Cc1cccnc1C[C@@H](C)[N@@H+](C)CCC(C)(C)O ZINC000244678870 370794307 /nfs/dbraw/zinc/79/43/07/370794307.db2.gz ILQCQUWVSYPLJD-CYBMUJFWSA-N 1 1 250.386 2.414 50 0 CEAAMO CCCO[C@@H]1CCC[N@@H+](C[C@H]2CC[C@H](O)CC2)C1 ZINC000244633459 370794559 /nfs/dbraw/zinc/79/45/59/370794559.db2.gz GDKDMOCIJMLCJS-RBSFLKMASA-N 1 1 255.402 2.429 50 0 CEAAMO CCOc1cccc(OCCN2C[C@H]3CC[C@@H](C2)[C@H]3[NH3+])c1 ZINC000244788022 370799517 /nfs/dbraw/zinc/79/95/17/370799517.db2.gz QHXIWDWRDOVNMW-HALDLXJZSA-N 1 1 290.407 2.133 50 0 CEAAMO CCO[C@H]1C[C@@H]([N@@H+](C)CCn2cccn2)C1(C)C ZINC000120683269 365460301 /nfs/dbraw/zinc/46/03/01/365460301.db2.gz NDXHCHBLHMGBKA-OLZOCXBDSA-N 1 1 251.374 2.019 50 0 CEAAMO C[C@@H]1C[N@@H+](CC2OCCO2)CC[C@H]1c1ccccc1 ZINC000245566334 370840876 /nfs/dbraw/zinc/84/08/76/370840876.db2.gz QNOPSZAVNLQZBH-UKRRQHHQSA-N 1 1 261.365 2.485 50 0 CEAAMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000341253631 367247795 /nfs/dbraw/zinc/24/77/95/367247795.db2.gz CRGBIEWBBGIAQH-AVRGHOLYSA-N 1 1 290.382 2.480 50 0 CEAAMO O=C([C@H]1CCC[N@H+]1C1CCOCC1)N1CCC2(CCC2)C1 ZINC000194016692 296109524 /nfs/dbraw/zinc/10/95/24/296109524.db2.gz DVIROPONLXQZSD-OAHLLOKOSA-N 1 1 292.423 2.032 50 0 CEAAMO Fc1cccc([C@@H]2C[N@@H+](CC3CC[NH2+]CC3)CCO2)c1 ZINC000178971887 368318905 /nfs/dbraw/zinc/31/89/05/368318905.db2.gz FLFLXQPLKHUBME-INIZCTEOSA-N 1 1 278.371 2.199 50 0 CEAAMO Fc1cccc([C@@H]2CN(CC3CC[NH2+]CC3)CCO2)c1 ZINC000178971887 368318911 /nfs/dbraw/zinc/31/89/11/368318911.db2.gz FLFLXQPLKHUBME-INIZCTEOSA-N 1 1 278.371 2.199 50 0 CEAAMO C[N@@H+]1C[C@@H]2C[NH+](Cc3cccc4[nH]ccc43)C[C@@H]2C1 ZINC000194539776 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292.408 2.192 50 0 CEAAMO COc1ncnc(N)c1C[N@@H+](C)[C@@H](C)Cc1ccsc1 ZINC000093705718 364217147 /nfs/dbraw/zinc/21/71/47/364217147.db2.gz FIFSREKDIYYWOI-JTQLQIEISA-N 1 1 292.408 2.192 50 0 CEAAMO Cc1[nH+]ccn1CCn1cccc(C(F)(F)F)c1=O ZINC000095387067 364354712 /nfs/dbraw/zinc/35/47/12/364354712.db2.gz RRPXVLJVFPVTAB-UHFFFAOYSA-N 1 1 271.242 2.072 50 0 CEAAMO CCc1c[nH+]c(N)nc1NCc1snnc1C(C)C ZINC000095389142 364355082 /nfs/dbraw/zinc/35/50/82/364355082.db2.gz SVXXVYUCVFLMBR-UHFFFAOYSA-N 1 1 278.385 2.208 50 0 CEAAMO C[N@H+]1CCCC[C@@H]1CCn1ncc2ccccc2c1=O ZINC000095392002 364355873 /nfs/dbraw/zinc/35/58/73/364355873.db2.gz QNPFERRFDFJBTM-CQSZACIVSA-N 1 1 271.364 2.271 50 0 CEAAMO COc1cccc(-c2nc3c([nH]2)C[N@@H+]([C@@H]2CCOC2)CC3)c1 ZINC000096166817 364406021 /nfs/dbraw/zinc/40/60/21/364406021.db2.gz MUMRMVOUVRUCIR-CYBMUJFWSA-N 1 1 299.374 2.232 50 0 CEAAMO COc1cccc(-c2nc3c([nH]2)C[N@H+]([C@@H]2CCOC2)CC3)c1 ZINC000096166817 364406025 /nfs/dbraw/zinc/40/60/25/364406025.db2.gz MUMRMVOUVRUCIR-CYBMUJFWSA-N 1 1 299.374 2.232 50 0 CEAAMO C[C@@H]1CCC[C@H]2CCC[N@@H+](Cc3nccc(N)n3)[C@H]12 ZINC000095432381 364374249 /nfs/dbraw/zinc/37/42/49/364374249.db2.gz AVQSWSGUIOUMLK-TYNCELHUSA-N 1 1 260.385 2.459 50 0 CEAAMO CN(C)C(=O)c1cccc(C[N@@H+](C)CCc2ccncc2)c1 ZINC000097051110 364435430 /nfs/dbraw/zinc/43/54/30/364435430.db2.gz KHXBSUIQMKYNAR-UHFFFAOYSA-N 1 1 297.402 2.458 50 0 CEAAMO Cc1n[nH]c(C[N@@H+]2CCC[C@@](C)(O)CC2)c1Cl ZINC000097076666 364439275 /nfs/dbraw/zinc/43/92/75/364439275.db2.gz BSWIIGNHDDIMON-GFCCVEGCSA-N 1 1 257.765 2.108 50 0 CEAAMO Cc1n[nH]c(C[N@H+]2CCC[C@@](C)(O)CC2)c1Cl ZINC000097076666 364439282 /nfs/dbraw/zinc/43/92/82/364439282.db2.gz BSWIIGNHDDIMON-GFCCVEGCSA-N 1 1 257.765 2.108 50 0 CEAAMO Cc1cc(C)nc(NC[C@H](CC(C)C)[NH+]2CCOCC2)n1 ZINC000097091638 364445988 /nfs/dbraw/zinc/44/59/88/364445988.db2.gz STFBDVCCGRTXID-HNNXBMFYSA-N 1 1 292.427 2.252 50 0 CEAAMO O=C1C[C@@H]([C@@H]2CCCC[N@@H+]2CCc2ccccc2F)CN1 ZINC000097095491 364447870 /nfs/dbraw/zinc/44/78/70/364447870.db2.gz JTVFLQYAUQIQGS-ZBFHGGJFSA-N 1 1 290.382 2.359 50 0 CEAAMO COCc1noc([C@@H](C)[NH2+][C@H]2CC(C)(C)OC2(C)C)n1 ZINC000097103311 364451733 /nfs/dbraw/zinc/45/17/33/364451733.db2.gz ZFMJJLIUOZPFDO-ZJUUUORDSA-N 1 1 283.372 2.213 50 0 CEAAMO Cc1noc(C[NH2+][C@H](C)[C@H]2COc3ccccc32)n1 ZINC000097112590 364455559 /nfs/dbraw/zinc/45/55/59/364455559.db2.gz RMXNUQXKJWKVFX-BXKDBHETSA-N 1 1 259.309 2.032 50 0 CEAAMO C[C@@H](c1ccccn1)[N@H+](C)Cc1cnc2ncccn12 ZINC000097113671 364456347 /nfs/dbraw/zinc/45/63/47/364456347.db2.gz INMMFDHGHACJHP-LBPRGKRZSA-N 1 1 267.336 2.317 50 0 CEAAMO C[C@@H](c1ccccn1)[N@@H+](C)Cc1cnc2ncccn12 ZINC000097113671 364456349 /nfs/dbraw/zinc/45/63/49/364456349.db2.gz INMMFDHGHACJHP-LBPRGKRZSA-N 1 1 267.336 2.317 50 0 CEAAMO Cc1nn(CCO)c(C)c1C[N@@H+](C)[C@H](C)c1ccncc1 ZINC000097113688 364456704 /nfs/dbraw/zinc/45/67/04/364456704.db2.gz BGCDLVKBZFEBFY-CYBMUJFWSA-N 1 1 288.395 2.080 50 0 CEAAMO Cc1nn(CCO)c(C)c1C[N@H+](C)[C@H](C)c1ccncc1 ZINC000097113688 364456709 /nfs/dbraw/zinc/45/67/09/364456709.db2.gz BGCDLVKBZFEBFY-CYBMUJFWSA-N 1 1 288.395 2.080 50 0 CEAAMO CN(CC[C@H]1CCCC[N@H+]1C)C[C@@H]1CCCCO1 ZINC000096441544 364423668 /nfs/dbraw/zinc/42/36/68/364423668.db2.gz LVVBSCZNMLIQFW-CABCVRRESA-N 1 1 254.418 2.362 50 0 CEAAMO CCN1CCC([NH2+]Cc2c[nH]nc2C(C)(C)C)CC1 ZINC000097159552 364468063 /nfs/dbraw/zinc/46/80/63/364468063.db2.gz UNVISAFIMMMCJJ-UHFFFAOYSA-N 1 1 264.417 2.281 50 0 CEAAMO COc1ccnc(N2CC[C@@H](CNc3ccc(C)c[nH+]3)C2)n1 ZINC000097200951 364475550 /nfs/dbraw/zinc/47/55/50/364475550.db2.gz OAONUPBPWQFKSZ-ZDUSSCGKSA-N 1 1 299.378 2.127 50 0 CEAAMO Cc1ccnc(NC[C@@H]2CCN(c3cc(C)[nH+]c(N)n3)C2)c1 ZINC000097200973 364476211 /nfs/dbraw/zinc/47/62/11/364476211.db2.gz HCACXNBLSYXHIK-ZDUSSCGKSA-N 1 1 298.394 2.009 50 0 CEAAMO Cc1cccc(NC[C@H]2CCN(c3cc(C)[nH+]c(N)n3)C2)n1 ZINC000097200998 364476509 /nfs/dbraw/zinc/47/65/09/364476509.db2.gz SYTIOGATHHTHKY-CYBMUJFWSA-N 1 1 298.394 2.009 50 0 CEAAMO CC(=O)N1CC[C@H](C[N@@H+](C)CCSC(C)(C)C)C1 ZINC000241121714 370781809 /nfs/dbraw/zinc/78/18/09/370781809.db2.gz JDJFWTVZABXEAH-CYBMUJFWSA-N 1 1 272.458 2.318 50 0 CEAAMO COCC[C@@H]1C[N@H+](Cc2ccnc3ccccc23)CCO1 ZINC000097413289 364499802 /nfs/dbraw/zinc/49/98/02/364499802.db2.gz CWKQNVFIWGGBBN-OAHLLOKOSA-N 1 1 286.375 2.472 50 0 CEAAMO COCC[C@@H]1C[N@@H+](Cc2ccnc3ccccc23)CCO1 ZINC000097413289 364499807 /nfs/dbraw/zinc/49/98/07/364499807.db2.gz CWKQNVFIWGGBBN-OAHLLOKOSA-N 1 1 286.375 2.472 50 0 CEAAMO Cn1ccnc1CN1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000101339957 364556581 /nfs/dbraw/zinc/55/65/81/364556581.db2.gz WXVDASWDIBYMEG-YVMONPNESA-N 1 1 296.418 2.251 50 0 CEAAMO O[C@H]1CCC[N@H+](Cc2ccn(-c3ccc(F)cc3F)n2)C1 ZINC000241231254 370782389 /nfs/dbraw/zinc/78/23/89/370782389.db2.gz KTIBGHNQTZFLQN-ZDUSSCGKSA-N 1 1 293.317 2.107 50 0 CEAAMO O[C@H]1CCC[N@@H+](Cc2ccn(-c3ccc(F)cc3F)n2)C1 ZINC000241231254 370782392 /nfs/dbraw/zinc/78/23/92/370782392.db2.gz KTIBGHNQTZFLQN-ZDUSSCGKSA-N 1 1 293.317 2.107 50 0 CEAAMO CC[C@@H](O)C[N@H+]1CCC[C@H]1c1nnc(-c2ccccc2)[n-]1 ZINC000104335999 364693469 /nfs/dbraw/zinc/69/34/69/364693469.db2.gz RLDPJLIXHFNBHX-KGLIPLIRSA-N 1 1 286.379 2.380 50 0 CEAAMO COC[C@H](C)NC(=O)C[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000241657588 370783927 /nfs/dbraw/zinc/78/39/27/370783927.db2.gz PXNFAORLBWFOLE-WFASDCNBSA-N 1 1 294.370 2.114 50 0 CEAAMO COC[C@H](C)NC(=O)C[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000241657588 370783929 /nfs/dbraw/zinc/78/39/29/370783929.db2.gz PXNFAORLBWFOLE-WFASDCNBSA-N 1 1 294.370 2.114 50 0 CEAAMO CC[N@@H+](Cc1nccs1)C[C@@H](O)c1cccc(O)c1 ZINC000244594300 370792319 /nfs/dbraw/zinc/79/23/19/370792319.db2.gz DKLUEJQHWOBYJU-CYBMUJFWSA-N 1 1 278.377 2.404 50 0 CEAAMO CC[N@H+](Cc1nccs1)C[C@@H](O)c1cccc(O)c1 ZINC000244594300 370792325 /nfs/dbraw/zinc/79/23/25/370792325.db2.gz DKLUEJQHWOBYJU-CYBMUJFWSA-N 1 1 278.377 2.404 50 0 CEAAMO CN(C)c1ccc(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)cn1 ZINC000244773750 370797590 /nfs/dbraw/zinc/79/75/90/370797590.db2.gz PFRLMIDEOQISEA-CQSZACIVSA-N 1 1 285.395 2.250 50 0 CEAAMO CC(C)c1noc(CN2CC([N@H+]3CCCC[C@H]3C)C2)n1 ZINC000244734837 370798221 /nfs/dbraw/zinc/79/82/21/370798221.db2.gz NMRUILVYALUGHH-GFCCVEGCSA-N 1 1 278.400 2.252 50 0 CEAAMO CCOc1ccccc1C[N@@H+](CC)CCn1cncn1 ZINC000244796199 370799841 /nfs/dbraw/zinc/79/98/41/370799841.db2.gz RUVOSKXXLFXBLB-UHFFFAOYSA-N 1 1 274.368 2.199 50 0 CEAAMO Cc1cccc(NC(=O)C[N@H+](C)C[C@@H]2CCCCO2)c1 ZINC000244723495 370795651 /nfs/dbraw/zinc/79/56/51/370795651.db2.gz MCQAHKGYBLXCSH-HNNXBMFYSA-N 1 1 276.380 2.434 50 0 CEAAMO Cc1cccc(NC(=O)C[N@@H+](C)C[C@@H]2CCCCO2)c1 ZINC000244723495 370795659 /nfs/dbraw/zinc/79/56/59/370795659.db2.gz MCQAHKGYBLXCSH-HNNXBMFYSA-N 1 1 276.380 2.434 50 0 CEAAMO c1ccc2c(c1)OC[C@@H](C[N@@H+]1CCOC3(CCCC3)C1)O2 ZINC000244707916 370795892 /nfs/dbraw/zinc/79/58/92/370795892.db2.gz KJZAZBHEIRGLLG-CQSZACIVSA-N 1 1 289.375 2.471 50 0 CEAAMO c1ccc2c(c1)OC[C@@H](C[N@H+]1CCOC3(CCCC3)C1)O2 ZINC000244707916 370795897 /nfs/dbraw/zinc/79/58/97/370795897.db2.gz KJZAZBHEIRGLLG-CQSZACIVSA-N 1 1 289.375 2.471 50 0 CEAAMO CC1(C)C[C@@H](O)CCN(C(=O)[C@H]2CC[N@H+]2C2CCCC2)C1 ZINC000585131680 367183133 /nfs/dbraw/zinc/18/31/33/367183133.db2.gz CRAAUYDKYHJBPQ-LSDHHAIUSA-N 1 1 294.439 2.013 50 0 CEAAMO O=C(CC[N@H+]1CCOCC12CCC2)Nc1cccc(F)c1 ZINC000170051205 367374288 /nfs/dbraw/zinc/37/42/88/367374288.db2.gz XYXCCNTUDPRDQO-UHFFFAOYSA-N 1 1 292.354 2.409 50 0 CEAAMO CCO[C@@H]1C[C@H]([N@@H+](C)C[C@@H](C)O)C12CCCCC2 ZINC000170086865 367375673 /nfs/dbraw/zinc/37/56/73/367375673.db2.gz AVBQJSFGRWXWNM-HZSPNIEDSA-N 1 1 255.402 2.427 50 0 CEAAMO Cc1cccc(CCNC(=O)N2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000171905572 367635738 /nfs/dbraw/zinc/63/57/38/367635738.db2.gz SDQLQDNKSPXGPD-MRXNPFEDSA-N 1 1 287.407 2.027 50 0 CEAAMO C[C@@H](c1ccsc1)[NH+]1CCN(Cc2cncnc2)CC1 ZINC000184970627 368730509 /nfs/dbraw/zinc/73/05/09/368730509.db2.gz AHZFZLQKNDGAKP-ZDUSSCGKSA-N 1 1 288.420 2.417 50 0 CEAAMO COC[C@H]1CCC[N@@H+](C[C@@H](O)c2cccc(F)c2)C1 ZINC000195530218 370137426 /nfs/dbraw/zinc/13/74/26/370137426.db2.gz YCECVZFGQVNJAO-SWLSCSKDSA-N 1 1 267.344 2.218 50 0 CEAAMO C[NH+](C)[C@@H](C(=O)N1CCOC(C)(C)C1)c1cccc(F)c1 ZINC000222393378 370254275 /nfs/dbraw/zinc/25/42/75/370254275.db2.gz RPCNFFYEJAFMHX-CQSZACIVSA-N 1 1 294.370 2.066 50 0 CEAAMO Brc1cnc(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)nc1 ZINC000222059731 370248840 /nfs/dbraw/zinc/24/88/40/370248840.db2.gz NBEMGWVFUONURE-MNOVXSKESA-N 1 1 297.200 2.278 50 0 CEAAMO CC1CCC([N@@H+](C)Cc2ccccc2S(N)(=O)=O)CC1 ZINC000225520539 370300532 /nfs/dbraw/zinc/30/05/32/370300532.db2.gz DAPULMBJDCSUCX-UHFFFAOYSA-N 1 1 296.436 2.345 50 0 CEAAMO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2nnnn2C)cc1C ZINC000225535417 370302817 /nfs/dbraw/zinc/30/28/17/370302817.db2.gz RHNHSFOFZJBPRY-VXGBXAGGSA-N 1 1 259.357 2.239 50 0 CEAAMO C[C@@H]1CN(C[C@H]2CCC[N@H+]2Cc2cccnc2)C[C@@H](C)O1 ZINC000229463309 370424947 /nfs/dbraw/zinc/42/49/47/370424947.db2.gz YUNXRLGDKOYFIA-BFYDXBDKSA-N 1 1 289.423 2.155 50 0 CEAAMO C[C@@H]1C[NH+](C[C@H]2CCCN2Cc2cccnc2)C[C@@H](C)O1 ZINC000229463309 370424954 /nfs/dbraw/zinc/42/49/54/370424954.db2.gz YUNXRLGDKOYFIA-BFYDXBDKSA-N 1 1 289.423 2.155 50 0 CEAAMO COc1ccc([C@@H]2C[C@H](C)[N@H+]([C@H]3CCOC3=O)C2)cc1 ZINC000247916383 371146615 /nfs/dbraw/zinc/14/66/15/371146615.db2.gz MMFOAHXNTPHLHP-LNSITVRQSA-N 1 1 275.348 2.189 50 0 CEAAMO CC(=O)NC[C@H]1C[N@@H+](CC[C@@H](C)c2ccccc2)CCO1 ZINC000249001400 371282083 /nfs/dbraw/zinc/28/20/83/371282083.db2.gz QSOANHWBLRNNAR-PBHICJAKSA-N 1 1 290.407 2.017 50 0 CEAAMO COc1ccccc1C[C@H](C)[N@H+](C)Cc1nnc(C)[nH]1 ZINC000252482273 371443188 /nfs/dbraw/zinc/44/31/88/371443188.db2.gz DBYOQORCFQFWBV-NSHDSACASA-N 1 1 274.368 2.185 50 0 CEAAMO COc1ccccc1C[C@H](C)[N@@H+](C)Cc1nnc(C)[nH]1 ZINC000252482273 371443193 /nfs/dbraw/zinc/44/31/93/371443193.db2.gz DBYOQORCFQFWBV-NSHDSACASA-N 1 1 274.368 2.185 50 0 CEAAMO CCN(C(=O)CC[N@H+]1CC[C@H](COC)C1)c1ccccc1 ZINC000252485048 371443880 /nfs/dbraw/zinc/44/38/80/371443880.db2.gz 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C[C@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1cc[nH]n1 ZINC000093325093 364166943 /nfs/dbraw/zinc/16/69/43/364166943.db2.gz XIZGNRKREUAKSH-AWEZNQCLSA-N 1 1 270.380 2.116 50 0 CEAAMO COC(=O)c1cc(C[N@H+]2CCC[C@@H]2CSC)c[nH]1 ZINC000093761374 364222837 /nfs/dbraw/zinc/22/28/37/364222837.db2.gz TXJBKDUHWNTSBU-LLVKDONJSA-N 1 1 268.382 2.129 50 0 CEAAMO Cc1ccc(C(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)o1 ZINC000239667863 370776928 /nfs/dbraw/zinc/77/69/28/370776928.db2.gz BRSRQKYDQZJMCV-IHRRRGAJSA-N 1 1 274.364 2.144 50 0 CEAAMO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@@H](O)C[NH+]1CCOCC1 ZINC000240122345 370778498 /nfs/dbraw/zinc/77/84/98/370778498.db2.gz VWOCGUKYAHXHNT-YYIAUSFCSA-N 1 1 299.455 2.157 50 0 CEAAMO CC(C)(C)SCC[N@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000240894780 370780734 /nfs/dbraw/zinc/78/07/34/370780734.db2.gz IPUKZQGFDSUVQT-STQMWFEESA-N 1 1 273.442 2.398 50 0 CEAAMO C[NH+](C)[C@H](C(=O)NCC(F)(F)F)c1cccc(F)c1 ZINC000095354616 364344012 /nfs/dbraw/zinc/34/40/12/364344012.db2.gz 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CCC[N@H+]1CCC[C@@H]1c1nc([C@@H](C)n2ccnc2)no1 ZINC000097164406 364471106 /nfs/dbraw/zinc/47/11/06/364471106.db2.gz OGRVCQRACMIORD-VXGBXAGGSA-N 1 1 275.356 2.422 50 0 CEAAMO CC(C)c1[nH+]ccn1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000097236189 364484118 /nfs/dbraw/zinc/48/41/18/364484118.db2.gz SDRCPPWUJPEJOL-UHFFFAOYSA-N 1 1 287.319 2.374 50 0 CEAAMO Cc1nccn1CC[N@H+](C)Cc1[nH]cc(C)c(=O)c1C ZINC000241081913 370781945 /nfs/dbraw/zinc/78/19/45/370781945.db2.gz YSKGEYAOOLEXNG-UHFFFAOYSA-N 1 1 274.368 2.041 50 0 CEAAMO COC[C@@H]1CCCC[N@@H+]1Cc1cnc(SC)nc1 ZINC000097288869 364490243 /nfs/dbraw/zinc/49/02/43/364490243.db2.gz JFBFPIXWYFDPPY-LBPRGKRZSA-N 1 1 267.398 2.199 50 0 CEAAMO COC[C@@H]1CCCC[N@H+]1Cc1cnc(SC)nc1 ZINC000097288869 364490245 /nfs/dbraw/zinc/49/02/45/364490245.db2.gz JFBFPIXWYFDPPY-LBPRGKRZSA-N 1 1 267.398 2.199 50 0 CEAAMO Cc1noc(C)c1C[N@@H+](C)Cc1cccc2nonc21 ZINC000097815573 364520886 /nfs/dbraw/zinc/52/08/86/364520886.db2.gz AMBODLNZOQVIRB-UHFFFAOYSA-N 1 1 272.308 2.460 50 0 CEAAMO 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362815373 /nfs/dbraw/zinc/81/53/73/362815373.db2.gz XWFUKAPLSLTGFE-SNVBAGLBSA-N 1 1 254.403 2.455 50 0 CEAAMO CCc1cnc(C)nc1N1CCN(c2[nH+]cccc2C)CC1 ZINC000065397540 362817552 /nfs/dbraw/zinc/81/75/52/362817552.db2.gz RDWXDJUBDOQSPH-UHFFFAOYSA-N 1 1 297.406 2.377 50 0 CEAAMO c1cnn(Cc2ccc(CN3[C@@H]4CC[C@H]3C[NH2+]CC4)cc2)c1 ZINC000065407870 362819207 /nfs/dbraw/zinc/81/92/07/362819207.db2.gz MVOVFKMNLNWIJA-MSOLQXFVSA-N 1 1 296.418 2.258 50 0 CEAAMO C[NH+](C)[C@@H](CNC(=O)c1cc(C2CC2)on1)c1ccco1 ZINC000065415691 362820328 /nfs/dbraw/zinc/82/03/28/362820328.db2.gz YKNBEHYKHXPHNP-LBPRGKRZSA-N 1 1 289.335 2.178 50 0 CEAAMO CC(C)c1nnsc1CNC(=O)C[NH+]1CCCCCC1 ZINC000065462329 362824617 /nfs/dbraw/zinc/82/46/17/362824617.db2.gz IWNQXYTTZBEYFH-UHFFFAOYSA-N 1 1 296.440 2.154 50 0 CEAAMO COCC[NH+]1CCN(C(=O)Nc2ccccc2Cl)CC1 ZINC000065565774 362837621 /nfs/dbraw/zinc/83/76/21/362837621.db2.gz GRMKNLRUJHZJKE-UHFFFAOYSA-N 1 1 297.786 2.136 50 0 CEAAMO c1nncn1C[C@@H]1CCC[N@H+](CCc2ccccc2)C1 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C/C=C(\C)C[N@H+]1CC[C@H](CNC(=O)CC2CC2)C1 ZINC000067713724 362919982 /nfs/dbraw/zinc/91/99/82/362919982.db2.gz RMHFLFAEAIKYLZ-PTJFDQCRSA-N 1 1 250.386 2.191 50 0 CEAAMO Cc1[nH+]ccn1CCCC(=O)Nc1cnc2n1CCCC2 ZINC000067894997 362930245 /nfs/dbraw/zinc/93/02/45/362930245.db2.gz UMHKKPFEQSHFSL-UHFFFAOYSA-N 1 1 287.367 2.143 50 0 CEAAMO CC(C)C[N@H+]1CCC[C@H]1CN[C@H](C)c1cnn(C)c1 ZINC000090854108 180047168 /nfs/dbraw/zinc/04/71/68/180047168.db2.gz NHIMBZQVFYHSHZ-HIFRSBDPSA-N 1 1 264.417 2.191 50 0 CEAAMO CC(C)CN1CCC[C@H]1C[NH2+][C@H](C)c1cnn(C)c1 ZINC000090854108 180047170 /nfs/dbraw/zinc/04/71/70/180047170.db2.gz NHIMBZQVFYHSHZ-HIFRSBDPSA-N 1 1 264.417 2.191 50 0 CEAAMO Cc1noc2ncnc(NCCc3c[nH+]c4ccccn34)c12 ZINC000091441806 180157075 /nfs/dbraw/zinc/15/70/75/180157075.db2.gz MDFKYHKNROMFOM-UHFFFAOYSA-N 1 1 294.318 2.229 50 0 CEAAMO Cc1ccc([C@@H](C(=O)NCCn2cccc2)[NH+](C)C)cc1 ZINC000091593561 180201354 /nfs/dbraw/zinc/20/13/54/180201354.db2.gz BNKVCKKYZLWZBU-INIZCTEOSA-N 1 1 285.391 2.216 50 0 CEAAMO CCC[N@H+]1C[C@H]2CC[C@@H]1CN(Cc1cnn(CC)c1)C2 ZINC000091664882 180220942 /nfs/dbraw/zinc/22/09/42/180220942.db2.gz OMMQPRQXKSNQBU-GOEBONIOSA-N 1 1 276.428 2.209 50 0 CEAAMO COCC[C@]1(CO)CCC[N@@H+](Cc2cccc(C)n2)C1 ZINC000091756642 180246571 /nfs/dbraw/zinc/24/65/71/180246571.db2.gz DKDDIIWOLZDOOT-MRXNPFEDSA-N 1 1 278.396 2.001 50 0 CEAAMO CCc1[nH+]ccn1CCc1ncnn1-c1ccc(F)cc1 ZINC000092066066 180316026 /nfs/dbraw/zinc/31/60/26/180316026.db2.gz IPVBZHWVZPRCPF-UHFFFAOYSA-N 1 1 285.326 2.408 50 0 CEAAMO Cc1c[nH+]c(N)nc1NCC[C@@H]1COc2ccccc2O1 ZINC000092066520 180317050 /nfs/dbraw/zinc/31/70/50/180317050.db2.gz BDCAWLFPMHLDTI-LLVKDONJSA-N 1 1 286.335 2.009 50 0 CEAAMO C[C@H]1CN(c2ccc3ccccc3n2)C[C@@H]1[NH+]1CCOCC1 ZINC000267527074 290896965 /nfs/dbraw/zinc/89/69/65/290896965.db2.gz IQUVLWZXHADAFS-YOEHRIQHSA-N 1 1 297.402 2.392 50 0 CEAAMO Cc1ccc(C(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cn1 ZINC000106078883 186100960 /nfs/dbraw/zinc/10/09/60/186100960.db2.gz QGMPVDFGJNBKKM-TZMCWYRMSA-N 1 1 275.396 2.240 50 0 CEAAMO C[C@H](C1CC1)[N@@H+](C)C[C@@H](O)COc1ccc(F)cc1 ZINC000106622386 186128910 /nfs/dbraw/zinc/12/89/10/186128910.db2.gz ZEVCSXFSEIULDH-BXUZGUMPSA-N 1 1 267.344 2.296 50 0 CEAAMO CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000069350140 362961439 /nfs/dbraw/zinc/96/14/39/362961439.db2.gz QBZBLRNTLHYEKX-CYBMUJFWSA-N 1 1 266.772 2.393 50 0 CEAAMO CN(C)C(=O)[C@H]1CCC[N@H+]1Cc1cccc(Cl)c1 ZINC000069350140 362961443 /nfs/dbraw/zinc/96/14/43/362961443.db2.gz QBZBLRNTLHYEKX-CYBMUJFWSA-N 1 1 266.772 2.393 50 0 CEAAMO CC[N@@H+](C)CCNC(=O)NC[C@H]1CCCc2ccccc21 ZINC000069350582 362961208 /nfs/dbraw/zinc/96/12/08/362961208.db2.gz WEJGNJOJWQKSSO-OAHLLOKOSA-N 1 1 289.423 2.357 50 0 CEAAMO C[C@@H]1CN(C[C@@H]2CCC[N@H+]2Cc2cccnc2)C[C@@H](C)O1 ZINC000069438194 362968208 /nfs/dbraw/zinc/96/82/08/362968208.db2.gz YUNXRLGDKOYFIA-INMHGKMJSA-N 1 1 289.423 2.155 50 0 CEAAMO C[C@@H]1C[NH+](C[C@@H]2CCCN2Cc2cccnc2)C[C@@H](C)O1 ZINC000069438194 362968211 /nfs/dbraw/zinc/96/82/11/362968211.db2.gz YUNXRLGDKOYFIA-INMHGKMJSA-N 1 1 289.423 2.155 50 0 CEAAMO CS[C@@H]1CCC[C@H]1[N@@H+](C)Cc1cc(=O)c(O)co1 ZINC000110642572 186308606 /nfs/dbraw/zinc/30/86/06/186308606.db2.gz NUTJZXGAHRGIPC-ZWNOBZJWSA-N 1 1 269.366 2.061 50 0 CEAAMO c1cc(CC[NH+]2CCC(c3nc(C4CC4)n[nH]3)CC2)ccn1 ZINC000069593290 362982824 /nfs/dbraw/zinc/98/28/24/362982824.db2.gz ACRMQDFEGXEBMG-UHFFFAOYSA-N 1 1 297.406 2.499 50 0 CEAAMO c1cc(CC[NH+]2CCC(c3n[nH]c(C4CC4)n3)CC2)ccn1 ZINC000069593290 362982831 /nfs/dbraw/zinc/98/28/31/362982831.db2.gz ACRMQDFEGXEBMG-UHFFFAOYSA-N 1 1 297.406 2.499 50 0 CEAAMO C[C@H](O)[C@@H]1CCCC[N@H+]1C[C@H](O)c1ccc(F)c(F)c1 ZINC000069590727 362983021 /nfs/dbraw/zinc/98/30/21/362983021.db2.gz NJJHTAMVWGATLY-LKTVYLICSA-N 1 1 285.334 2.234 50 0 CEAAMO CCOCC[NH+]1CCN(CCCc2ccccc2)CC1 ZINC000069627405 362986245 /nfs/dbraw/zinc/98/62/45/362986245.db2.gz KQHHMWFPLQTQEF-UHFFFAOYSA-N 1 1 276.424 2.273 50 0 CEAAMO Cc1ccccc1C[N@H+](C)CC(=O)NCc1cccnc1 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O=c1cc(C2CCC2)ncn1Cc1cn2ccccc2[nH+]1 ZINC000089702946 363993869 /nfs/dbraw/zinc/99/38/69/363993869.db2.gz QTQZMXHRQFKISV-UHFFFAOYSA-N 1 1 280.331 2.207 50 0 CEAAMO O=C(Cc1ccon1)N1C[C@H]2CCC[N@H+]2Cc2ccccc21 ZINC000089865505 364010980 /nfs/dbraw/zinc/01/09/80/364010980.db2.gz MFBSXFDWBSQJCH-OAHLLOKOSA-N 1 1 297.358 2.228 50 0 CEAAMO CCn1c(C(=O)N2CC[N@H+](C)C[C@@H]2C)cc2ccccc21 ZINC000089305394 363954609 /nfs/dbraw/zinc/95/46/09/363954609.db2.gz QANBUBXNGRWNCR-ZDUSSCGKSA-N 1 1 285.391 2.437 50 0 CEAAMO CCn1c(C(=O)N2CC[N@@H+](C)C[C@@H]2C)cc2ccccc21 ZINC000089305394 363954613 /nfs/dbraw/zinc/95/46/13/363954613.db2.gz QANBUBXNGRWNCR-ZDUSSCGKSA-N 1 1 285.391 2.437 50 0 CEAAMO COC[C@H](O)CN(C)c1cc[nH+]c2ccc(Cl)cc21 ZINC000089340118 363956641 /nfs/dbraw/zinc/95/66/41/363956641.db2.gz NLOVADNNDDGNIL-LLVKDONJSA-N 1 1 280.755 2.332 50 0 CEAAMO CC[N@H+]1CCCN(Cc2nc(C)c(C)s2)CC1 ZINC000089977267 364025255 /nfs/dbraw/zinc/02/52/55/364025255.db2.gz ISAVLNXPIHARGL-UHFFFAOYSA-N 1 1 253.415 2.288 50 0 CEAAMO C[C@@H](NC(=O)C[N@@H+]1CCCSCC1)c1cccs1 ZINC000089983124 364028046 /nfs/dbraw/zinc/02/80/46/364028046.db2.gz KDRSKELNVCIOTL-LLVKDONJSA-N 1 1 284.450 2.364 50 0 CEAAMO C[C@@H](NC(=O)C[N@H+]1CCCSCC1)c1cccs1 ZINC000089983124 364028054 /nfs/dbraw/zinc/02/80/54/364028054.db2.gz KDRSKELNVCIOTL-LLVKDONJSA-N 1 1 284.450 2.364 50 0 CEAAMO CC(C)C(=O)N[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000092707141 364099297 /nfs/dbraw/zinc/09/92/97/364099297.db2.gz VUIYXKZZVHVMNB-LBPRGKRZSA-N 1 1 250.342 2.016 50 0 CEAAMO CC(C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000092707141 364099302 /nfs/dbraw/zinc/09/93/02/364099302.db2.gz VUIYXKZZVHVMNB-LBPRGKRZSA-N 1 1 250.342 2.016 50 0 CEAAMO Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3ccnn3C)C2)n1 ZINC000092813303 364109707 /nfs/dbraw/zinc/10/97/07/364109707.db2.gz KLFUPLRWTMUHPC-AWEZNQCLSA-N 1 1 285.395 2.058 50 0 CEAAMO Cc1cccc(NC[C@@H]2CC[N@H+](Cc3ccnn3C)C2)n1 ZINC000092813303 364109714 /nfs/dbraw/zinc/10/97/14/364109714.db2.gz KLFUPLRWTMUHPC-AWEZNQCLSA-N 1 1 285.395 2.058 50 0 CEAAMO Cc1nc([C@@H]2C[N@H+](CC3CCCCC3)CCO2)no1 ZINC000095393685 364356138 /nfs/dbraw/zinc/35/61/38/364356138.db2.gz MUXKNSTZMLTYGC-ZDUSSCGKSA-N 1 1 265.357 2.332 50 0 CEAAMO Cc1nc([C@@H]2C[N@@H+](CC3CCCCC3)CCO2)no1 ZINC000095393685 364356144 /nfs/dbraw/zinc/35/61/44/364356144.db2.gz MUXKNSTZMLTYGC-ZDUSSCGKSA-N 1 1 265.357 2.332 50 0 CEAAMO COCCc1noc([C@H]2CCC[N@H+](C3CCCC3)C2)n1 ZINC000096165121 364406210 /nfs/dbraw/zinc/40/62/10/364406210.db2.gz MDRKDEFJDNCDBO-LBPRGKRZSA-N 1 1 279.384 2.381 50 0 CEAAMO CC[C@@H](O)CN1CC[NH+](CCSc2ccccc2)CC1 ZINC000095415690 364366574 /nfs/dbraw/zinc/36/65/74/364366574.db2.gz PUUOUAFKGYVFGL-OAHLLOKOSA-N 1 1 294.464 2.167 50 0 CEAAMO CS[C@H](C)CNC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000095434826 364375384 /nfs/dbraw/zinc/37/53/84/364375384.db2.gz GMAMPSJZOZYHCI-KXNHARMFSA-N 1 1 258.431 2.115 50 0 CEAAMO Cc1c(CNC[C@H]2CCCC[N@@H+]2C(C)C)cnn1C ZINC000095440167 364378269 /nfs/dbraw/zinc/37/82/69/364378269.db2.gz CDLSIMUYQAWZFT-OAHLLOKOSA-N 1 1 264.417 2.081 50 0 CEAAMO Cc1c(C[NH2+]C[C@H]2CCCCN2C(C)C)cnn1C ZINC000095440167 364378271 /nfs/dbraw/zinc/37/82/71/364378271.db2.gz CDLSIMUYQAWZFT-OAHLLOKOSA-N 1 1 264.417 2.081 50 0 CEAAMO CCO[C@@H]1CCCN(C(=O)C=C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000095449137 364382261 /nfs/dbraw/zinc/38/22/61/364382261.db2.gz PTJYSSFMBXKUNP-OWCLPIDISA-N 1 1 292.423 2.197 50 0 CEAAMO C(c1nc([C@@H]2CCOC2)no1)[NH+]1CCCCCCC1 ZINC000096160159 364403174 /nfs/dbraw/zinc/40/31/74/364403174.db2.gz ZFGQKVJNMVASNW-GFCCVEGCSA-N 1 1 265.357 2.340 50 0 CEAAMO Cc1cccc([C@@H](C(=O)NCCc2cccnc2)[NH+](C)C)c1 ZINC000095372364 364349988 /nfs/dbraw/zinc/34/99/88/364349988.db2.gz PAOCRNIGFZILDV-KRWDZBQOSA-N 1 1 297.402 2.352 50 0 CEAAMO CC[N@H+]1CCC[C@H]1CNC(=O)COc1ccc(C)cc1C ZINC000096319304 364419664 /nfs/dbraw/zinc/41/96/64/364419664.db2.gz VKLVZHBMOJEAQH-HNNXBMFYSA-N 1 1 290.407 2.283 50 0 CEAAMO CNC(=O)CC[N@H+]1CC[C@H](C)[C@H]1c1cccc(F)c1 ZINC000096445761 364424427 /nfs/dbraw/zinc/42/44/27/364424427.db2.gz YIAZIROAPIGUSH-NHYWBVRUSA-N 1 1 264.344 2.345 50 0 CEAAMO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1Nc1cnn(CC(F)F)c1 ZINC000097038023 364428889 /nfs/dbraw/zinc/42/88/89/364428889.db2.gz GIOIMVOWLUYJSC-JFGNBEQYSA-N 1 1 272.343 2.289 50 0 CEAAMO C[C@@H](c1ccsc1)[NH+]1CCN(Cc2csnn2)CC1 ZINC000097143356 364464269 /nfs/dbraw/zinc/46/42/69/364464269.db2.gz IHHDPBDJRNYDDQ-NSHDSACASA-N 1 1 294.449 2.478 50 0 CEAAMO CC(C)c1nc(C[N@@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)co1 ZINC000097499556 364507200 /nfs/dbraw/zinc/50/72/00/364507200.db2.gz HAOUDVNUEVKISS-LVEBTZEWSA-N 1 1 262.353 2.407 50 0 CEAAMO Cc1cc(C(=O)N2CC[NH2+][C@H](c3ccccc3)C2)cnc1C ZINC000097759405 364519642 /nfs/dbraw/zinc/51/96/42/364519642.db2.gz VPAPKFYATVCSRU-KRWDZBQOSA-N 1 1 295.386 2.485 50 0 CEAAMO CC(C)[N@H+]1CCN(CCCc2ccccc2)C[C@H]1CCO ZINC000104412685 364695107 /nfs/dbraw/zinc/69/51/07/364695107.db2.gz BJMOVCGRXXLABN-GOSISDBHSA-N 1 1 290.451 2.396 50 0 CEAAMO CC(C)N1CC[N@H+](CCCc2ccccc2)C[C@H]1CCO ZINC000104412685 364695113 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C[N@H+]1CCCC[C@@H]1CN1C(=O)COc2ccc(F)cc21 ZINC000095391213 364356511 /nfs/dbraw/zinc/35/65/11/364356511.db2.gz NQTVBJZQEDHSSA-GFCCVEGCSA-N 1 1 278.327 2.035 50 0 CEAAMO Cc1cccc([C@H](C(=O)N(C)Cc2ccon2)[NH+](C)C)c1 ZINC000095391903 364357066 /nfs/dbraw/zinc/35/70/66/364357066.db2.gz KAYLJNWYZSQAMQ-OAHLLOKOSA-N 1 1 287.363 2.244 50 0 CEAAMO CCOC[C@@H](O)C[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000095398406 364357826 /nfs/dbraw/zinc/35/78/26/364357826.db2.gz KZNSHVWKWYAQEL-GJZGRUSLSA-N 1 1 281.421 2.174 50 0 CEAAMO OCCO[C@H]1CCC[N@@H+](CCSc2ccccc2)C1 ZINC000095398360 364358567 /nfs/dbraw/zinc/35/85/67/364358567.db2.gz NTZATXXCSLLBBP-AWEZNQCLSA-N 1 1 281.421 2.252 50 0 CEAAMO COC[C@@H]1CCC[N@H+]1Cc1ccc(C(=O)OC)s1 ZINC000095411649 364363912 /nfs/dbraw/zinc/36/39/12/364363912.db2.gz VVYFPIJAIKNQJD-JTQLQIEISA-N 1 1 269.366 2.146 50 0 CEAAMO c1cc(C[NH+]2CCC(CCN3CCOCC3)CC2)ccn1 ZINC000095430427 364373431 /nfs/dbraw/zinc/37/34/31/364373431.db2.gz IVAGOSSKMRJTNC-UHFFFAOYSA-N 1 1 289.423 2.016 50 0 CEAAMO CNC(=O)c1ccc(C[N@@H+](C)CC2(O)CCC(C)CC2)o1 ZINC000095430671 364373767 /nfs/dbraw/zinc/37/37/67/364373767.db2.gz QLVXBMRKXYKKRU-UHFFFAOYSA-N 1 1 294.395 2.012 50 0 CEAAMO Cc1csc(C[NH2+][C@]2(CO)CCc3ccccc32)n1 ZINC000095429777 364374235 /nfs/dbraw/zinc/37/42/35/364374235.db2.gz XEOLIOMWACGQLB-HNNXBMFYSA-N 1 1 274.389 2.375 50 0 CEAAMO CCCC[N@H+]1Cc2c(cc3c(c2OC)OCO3)[C@@H](O)C1 ZINC000095470473 364388607 /nfs/dbraw/zinc/38/86/07/364388607.db2.gz XHLJNYWMPUSKJH-LBPRGKRZSA-N 1 1 279.336 2.073 50 0 CEAAMO CCCC[N@@H+]1Cc2c(cc3c(c2OC)OCO3)[C@@H](O)C1 ZINC000095470473 364388613 /nfs/dbraw/zinc/38/86/13/364388613.db2.gz XHLJNYWMPUSKJH-LBPRGKRZSA-N 1 1 279.336 2.073 50 0 CEAAMO C[N@H+]1CCCC[C@@H]1CCC(=O)NCCc1ccncc1 ZINC000095357324 364345039 /nfs/dbraw/zinc/34/50/39/364345039.db2.gz WHFYCQSGBYRJOL-OAHLLOKOSA-N 1 1 275.396 2.005 50 0 CEAAMO Cc1ccccc1[C@@H](C(=O)NC1(CO)CCCC1)[NH+](C)C ZINC000095372110 364349766 /nfs/dbraw/zinc/34/97/66/364349766.db2.gz OKFAGDWXTPLUEP-HNNXBMFYSA-N 1 1 290.407 2.019 50 0 CEAAMO C[NH+](C)[C@H](C(=O)NCC(F)(F)F)c1ccc(F)cc1 ZINC000095376399 364350674 /nfs/dbraw/zinc/35/06/74/364350674.db2.gz ADMQDBHFJNKJLO-JTQLQIEISA-N 1 1 278.249 2.107 50 0 CEAAMO CCN(C)c1ccccc1NC(=O)N1CCC[N@@H+](C)CC1 ZINC000097052118 364435594 /nfs/dbraw/zinc/43/55/94/364435594.db2.gz AZHHCNYNQSTZBN-UHFFFAOYSA-N 1 1 290.411 2.312 50 0 CEAAMO O=C([C@@H]1CSC[NH2+]1)N1CCC2(CCCCC2)CC1 ZINC000061820868 296063004 /nfs/dbraw/zinc/06/30/04/296063004.db2.gz RDXSBDNLWANOSI-LBPRGKRZSA-N 1 1 268.426 2.222 50 0 CEAAMO Cc1ccc(NC[C@H]2CC[N@@H+](Cc3cnc(C)cn3)C2)nc1 ZINC000097200534 364475977 /nfs/dbraw/zinc/47/59/77/364475977.db2.gz SGAGYZRMAODJCG-OAHLLOKOSA-N 1 1 297.406 2.422 50 0 CEAAMO COc1ccc(CSCC[NH+]2CCOCC2)cc1F ZINC000097230141 364483080 /nfs/dbraw/zinc/48/30/80/364483080.db2.gz XSQVHDYXDJNGIN-UHFFFAOYSA-N 1 1 285.384 2.400 50 0 CEAAMO CCc1ccc(C[NH2+]CCCN(C)CCOC)cc1 ZINC000097287843 364490150 /nfs/dbraw/zinc/49/01/50/364490150.db2.gz VVBRIOKDSMMFCG-UHFFFAOYSA-N 1 1 264.413 2.307 50 0 CEAAMO C[C@@H]1CCCC[C@@H]1C[N@@H+](CCO)C1CCN(C)CC1 ZINC000097372987 364493407 /nfs/dbraw/zinc/49/34/07/364493407.db2.gz FCPFSALMODXKOU-HUUCEWRRSA-N 1 1 268.445 2.201 50 0 CEAAMO CC(C)Oc1ccc(C[N@H+]2CCC[C@@H]2CCO)cc1CO ZINC000097604317 364512891 /nfs/dbraw/zinc/51/28/91/364512891.db2.gz QRYXCOJEGAGNEE-MRXNPFEDSA-N 1 1 293.407 2.313 50 0 CEAAMO CC(C)n1cncc1C[N@@H+](C)[C@@H]1CCCC[C@@H]1O ZINC000097713717 364516585 /nfs/dbraw/zinc/51/65/85/364516585.db2.gz LPQGBAMCQOLEME-KGLIPLIRSA-N 1 1 251.374 2.199 50 0 CEAAMO CN([C@@H]1CCC[N@@H+](C)C1)S(=O)(=O)/C=C/c1ccccc1 ZINC000104157090 364682890 /nfs/dbraw/zinc/68/28/90/364682890.db2.gz NVQXXCNWTRPWNQ-HBIYDYFMSA-N 1 1 294.420 2.013 50 0 CEAAMO CC(C)[N@H+]1CCN(Cc2c(F)cccc2F)C[C@H]1CCO ZINC000104364862 364695472 /nfs/dbraw/zinc/69/54/72/364695472.db2.gz UPPOMZKVZQDLNX-CYBMUJFWSA-N 1 1 298.377 2.242 50 0 CEAAMO CC(C)Cc1cc(C[N@@H+](C)[C@@H](CO)C(C)C)[nH]n1 ZINC000244626730 370792705 /nfs/dbraw/zinc/79/27/05/370792705.db2.gz FROGTAYNUHJUQZ-AWEZNQCLSA-N 1 1 253.390 2.057 50 0 CEAAMO Cc1nnc([C@H]2CCC[N@@H+](CCc3csc(C)n3)C2)[nH]1 ZINC000244742244 370797676 /nfs/dbraw/zinc/79/76/76/370797676.db2.gz OEIDJQURNNGNKP-LBPRGKRZSA-N 1 1 291.424 2.300 50 0 CEAAMO Cc1n[nH]c([C@H]2CCC[N@@H+](CCc3csc(C)n3)C2)n1 ZINC000244742244 370797681 /nfs/dbraw/zinc/79/76/81/370797681.db2.gz OEIDJQURNNGNKP-LBPRGKRZSA-N 1 1 291.424 2.300 50 0 CEAAMO Cc1n[nH]c([C@H]2CCC[N@H+](CCc3csc(C)n3)C2)n1 ZINC000244742244 370797684 /nfs/dbraw/zinc/79/76/84/370797684.db2.gz OEIDJQURNNGNKP-LBPRGKRZSA-N 1 1 291.424 2.300 50 0 CEAAMO Cc1nc([C@H]2CCC[N@H+](CCc3csc(C)n3)C2)n[nH]1 ZINC000244742244 370797688 /nfs/dbraw/zinc/79/76/88/370797688.db2.gz OEIDJQURNNGNKP-LBPRGKRZSA-N 1 1 291.424 2.300 50 0 CEAAMO Cc1nc([C@H]2CCC[N@@H+](CCc3csc(C)n3)C2)n[nH]1 ZINC000244742244 370797692 /nfs/dbraw/zinc/79/76/92/370797692.db2.gz OEIDJQURNNGNKP-LBPRGKRZSA-N 1 1 291.424 2.300 50 0 CEAAMO CN(CC[N@@H+](C)C1CCCC1)Cc1nccs1 ZINC000244741917 370798017 /nfs/dbraw/zinc/79/80/17/370798017.db2.gz NZCBWDZBUDQQNR-UHFFFAOYSA-N 1 1 253.415 2.449 50 0 CEAAMO CCC[N@@H+](CCn1ccnc1C)C[C@@H]1CCCO1 ZINC000244795690 370799091 /nfs/dbraw/zinc/79/90/91/370799091.db2.gz RLWUKLVHUCYMFZ-AWEZNQCLSA-N 1 1 251.374 2.083 50 0 CEAAMO CNC(=O)CC[N@@H+](C)[C@@H](C)c1cc(-c2ccccc2)n[nH]1 ZINC000244874814 370802436 /nfs/dbraw/zinc/80/24/36/370802436.db2.gz XHRKGUSQHDUMGJ-LBPRGKRZSA-N 1 1 286.379 2.206 50 0 CEAAMO CC[C@H]1CCCC[N@H+]1CC(=O)NCc1cn(CC)nc1C ZINC000244707865 370795962 /nfs/dbraw/zinc/79/59/62/370795962.db2.gz KIWMVZNMEKAUQN-HNNXBMFYSA-N 1 1 292.427 2.092 50 0 CEAAMO c1n[nH]cc1[C@@H]1CCC[N@@H+]1CCO[C@@H]1CCCCO1 ZINC000585116220 367179101 /nfs/dbraw/zinc/17/91/01/367179101.db2.gz LVRDCJKRWOZRCO-UONOGXRCSA-N 1 1 265.357 2.090 50 0 CEAAMO C[C@@H]1CN(CC[N@H+]2CCS[C@H]3CCCC[C@@H]32)CCO1 ZINC000170607461 367386018 /nfs/dbraw/zinc/38/60/18/367386018.db2.gz KNDRPNSGUIXYFS-ILXRZTDVSA-N 1 1 284.469 2.067 50 0 CEAAMO c1cnn(Cc2cccc(CN3CC[N@H+]4CCC[C@H]4C3)c2)c1 ZINC000225322091 189746446 /nfs/dbraw/zinc/74/64/46/189746446.db2.gz OVYDDSYXKGXLGA-SFHVURJKSA-N 1 1 296.418 2.211 50 0 CEAAMO CCc1nnc(C[N@H+](C[C@H]2CCCO2)C2CCCC2)n1C ZINC000173836952 367950362 /nfs/dbraw/zinc/95/03/62/367950362.db2.gz NVZJJYOGPZCZBE-CQSZACIVSA-N 1 1 292.427 2.301 50 0 CEAAMO CCc1nnc(C[N@@H+](C[C@H]2CCCO2)C2CCCC2)n1C ZINC000173836952 367950369 /nfs/dbraw/zinc/95/03/69/367950369.db2.gz NVZJJYOGPZCZBE-CQSZACIVSA-N 1 1 292.427 2.301 50 0 CEAAMO COc1cc([C@@H](C)[NH2+][C@@H](C)c2nccn2C)ccn1 ZINC000348753836 369143072 /nfs/dbraw/zinc/14/30/72/369143072.db2.gz JIAULXMPNXEGQO-MNOVXSKESA-N 1 1 260.341 2.236 50 0 CEAAMO Cc1ccc(F)cc1C[N@H+](C)C[C@H](O)C(F)(F)F ZINC000189316016 369495681 /nfs/dbraw/zinc/49/56/81/369495681.db2.gz IBOIMCSNMLLKED-NSHDSACASA-N 1 1 265.250 2.489 50 0 CEAAMO Cc1ccc(F)cc1C[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000189316016 369495684 /nfs/dbraw/zinc/49/56/84/369495684.db2.gz IBOIMCSNMLLKED-NSHDSACASA-N 1 1 265.250 2.489 50 0 CEAAMO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](Cc2ncc(C)o2)C1 ZINC000194877920 370085192 /nfs/dbraw/zinc/08/51/92/370085192.db2.gz QJYGRHASIPPJQV-HNNXBMFYSA-N 1 1 280.368 2.394 50 0 CEAAMO c1csc(-c2ncc(C[N@@H+]3CCc4n[nH]cc4C3)cn2)c1 ZINC000216272846 370185904 /nfs/dbraw/zinc/18/59/04/370185904.db2.gz SSFMGRXEPQTNAI-UHFFFAOYSA-N 1 1 297.387 2.487 50 0 CEAAMO c1csc(-c2ncc(C[N@H+]3CCc4n[nH]cc4C3)cn2)c1 ZINC000216272846 370185910 /nfs/dbraw/zinc/18/59/10/370185910.db2.gz SSFMGRXEPQTNAI-UHFFFAOYSA-N 1 1 297.387 2.487 50 0 CEAAMO CCn1ccnc1C[N@H+](CC)C[C@@H](O)c1cccc(O)c1 ZINC000215532499 370177722 /nfs/dbraw/zinc/17/77/22/370177722.db2.gz ZBPYSPDSTYEFLW-OAHLLOKOSA-N 1 1 289.379 2.164 50 0 CEAAMO CCn1ccnc1C[N@@H+](CC)C[C@@H](O)c1cccc(O)c1 ZINC000215532499 370177726 /nfs/dbraw/zinc/17/77/26/370177726.db2.gz ZBPYSPDSTYEFLW-OAHLLOKOSA-N 1 1 289.379 2.164 50 0 CEAAMO C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+](C)Cc1cc[nH]n1 ZINC000215585819 370177838 /nfs/dbraw/zinc/17/78/38/370177838.db2.gz VMVOUBFMXNGXBI-GFCCVEGCSA-N 1 1 287.363 2.449 50 0 CEAAMO CC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc3ncccc23)C1 ZINC000215565435 370178126 /nfs/dbraw/zinc/17/81/26/370178126.db2.gz QAGBEAROLNUZCP-OAHLLOKOSA-N 1 1 283.375 2.335 50 0 CEAAMO C[N@@H+](Cc1ccc2nonc2c1)CC1(C)CCOCC1 ZINC000215689083 370179085 /nfs/dbraw/zinc/17/90/85/370179085.db2.gz LRXKTXUPDIPBFS-UHFFFAOYSA-N 1 1 275.352 2.471 50 0 CEAAMO CCn1nccc1C[NH+]1CCC(C)(c2nc(C)no2)CC1 ZINC000195557449 370140795 /nfs/dbraw/zinc/14/07/95/370140795.db2.gz WPHPLSZLTIBVBZ-UHFFFAOYSA-N 1 1 289.383 2.148 50 0 CEAAMO c1cn(C[C@H]2CCC[N@H+]2Cc2ccc3c(c2)CCO3)cn1 ZINC000195573479 370143806 /nfs/dbraw/zinc/14/38/06/370143806.db2.gz UCSJELSWDBTVMO-MRXNPFEDSA-N 1 1 283.375 2.483 50 0 CEAAMO C[C@H](C[N@@H+](C)CCN1CCCC1=O)c1ccc(F)cc1 ZINC000195572976 370143908 /nfs/dbraw/zinc/14/39/08/370143908.db2.gz BTWVQBQTXUFVLX-CYBMUJFWSA-N 1 1 278.371 2.483 50 0 CEAAMO C[N@@H+](CCc1ccncc1)Cc1cnc(N2CCCC2)nc1 ZINC000216263072 370186719 /nfs/dbraw/zinc/18/67/19/370186719.db2.gz FOTCNLYWWZPEFL-UHFFFAOYSA-N 1 1 297.406 2.146 50 0 CEAAMO Cc1[nH+]ccn1CCC(=O)NCc1cccc2[nH]ccc21 ZINC000223247188 370262838 /nfs/dbraw/zinc/26/28/38/370262838.db2.gz QXZGVIYDOXVDOD-UHFFFAOYSA-N 1 1 282.347 2.379 50 0 CEAAMO C[C@@H]1C[N@@H+](C)CC[C@H]1NC(=O)C(F)(F)c1ccccc1 ZINC000225197181 370286837 /nfs/dbraw/zinc/28/68/37/370286837.db2.gz LXAZVFGSCHNZEQ-DGCLKSJQSA-N 1 1 282.334 2.235 50 0 CEAAMO CCC1CCC([N@@H+](CCO)Cc2cncnc2)CC1 ZINC000225414065 370292639 /nfs/dbraw/zinc/29/26/39/370292639.db2.gz WKHAKJMQIHLOMC-UHFFFAOYSA-N 1 1 263.385 2.240 50 0 CEAAMO COC(=O)[C@@H](F)C[N@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000225466889 370298403 /nfs/dbraw/zinc/29/84/03/370298403.db2.gz FGAUJMJFNYUOHF-LSDHHAIUSA-N 1 1 294.370 2.401 50 0 CEAAMO Cc1cc(NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2c2ccccc2)no1 ZINC000226751709 370351875 /nfs/dbraw/zinc/35/18/75/370351875.db2.gz ZSKVXNFSEPASNV-ZIAGYGMSSA-N 1 1 285.347 2.267 50 0 CEAAMO Cc1cc(NC(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)no1 ZINC000229327855 370423621 /nfs/dbraw/zinc/42/36/21/370423621.db2.gz GSKSNNBAHIXGRC-MNOVXSKESA-N 1 1 280.372 2.225 50 0 CEAAMO C[C@@H](c1cccnc1)[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000229478318 370424301 /nfs/dbraw/zinc/42/43/01/370424301.db2.gz ACXQFGGOVLTTCK-UONOGXRCSA-N 1 1 271.368 2.146 50 0 CEAAMO CC[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)C1CCC1 ZINC000249689185 371352734 /nfs/dbraw/zinc/35/27/34/371352734.db2.gz JECXDSQKAKUIRE-ZIAGYGMSSA-N 1 1 250.386 2.262 50 0 CEAAMO CC[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)CC[C@H]1CCCO1 ZINC000249696863 371353985 /nfs/dbraw/zinc/35/39/85/371353985.db2.gz UAGQSUOZKBGJAY-BZUAXINKSA-N 1 1 294.439 2.421 50 0 CEAAMO C[C@@H]1C[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000252452960 371439201 /nfs/dbraw/zinc/43/92/01/371439201.db2.gz RBNQODFYYQPWGO-SNPRPXQTSA-N 1 1 258.365 2.033 50 0 CEAAMO C[N@@H+](CCCn1cnnn1)Cc1cccc2ccccc21 ZINC000252482839 371442652 /nfs/dbraw/zinc/44/26/52/371442652.db2.gz DOXUHTCCFKQJJV-UHFFFAOYSA-N 1 1 281.363 2.348 50 0 CEAAMO Cc1nc(C[N@@H+](C)[C@@H](C)c2ccccn2)cc(=O)[nH]1 ZINC000252484860 371444590 /nfs/dbraw/zinc/44/45/90/371444590.db2.gz GJPUWFCZRJIMSG-JTQLQIEISA-N 1 1 258.325 2.079 50 0 CEAAMO Cc1nc(C[N@H+](C)[C@@H](C)c2ccccn2)cc(=O)[nH]1 ZINC000252484860 371444592 /nfs/dbraw/zinc/44/45/92/371444592.db2.gz GJPUWFCZRJIMSG-JTQLQIEISA-N 1 1 258.325 2.079 50 0 CEAAMO COCC[N@H+](Cc1ccc(C)o1)C[C@H](O)C(C)C ZINC000252501754 371448199 /nfs/dbraw/zinc/44/81/99/371448199.db2.gz UJKAKSNEMQGMHU-AWEZNQCLSA-N 1 1 255.358 2.053 50 0 CEAAMO CCCN1CCC([NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)CC1 ZINC000252505841 371448582 /nfs/dbraw/zinc/44/85/82/371448582.db2.gz NVTKLAYUAOYMAJ-RRFJBIMHSA-N 1 1 266.429 2.264 50 0 CEAAMO Cc1c([C@@H]2CCC[N@H+]2CCO[C@H]2CCCCO2)cnn1C ZINC000252537764 371453168 /nfs/dbraw/zinc/45/31/68/371453168.db2.gz MGMLZLFCJMIEQX-HOTGVXAUSA-N 1 1 293.411 2.409 50 0 CEAAMO C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)C[C@H]1CCCCO1 ZINC000252586154 371458183 /nfs/dbraw/zinc/45/81/83/371458183.db2.gz NWGSXMPPJXIZOK-RBSFLKMASA-N 1 1 282.428 2.182 50 0 CEAAMO C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C[C@H]1CCCCO1 ZINC000252586154 371458185 /nfs/dbraw/zinc/45/81/85/371458185.db2.gz NWGSXMPPJXIZOK-RBSFLKMASA-N 1 1 282.428 2.182 50 0 CEAAMO C[C@@H](NC(=O)NCc1ccc(F)cc1)C1=CC[N@@H+](C)CC1 ZINC000253426383 371521314 /nfs/dbraw/zinc/52/13/14/371521314.db2.gz NRUBSZCISTZXES-GFCCVEGCSA-N 1 1 291.370 2.275 50 0 CEAAMO C[C@]1(C[NH3+])CCN(Cc2cccc(-n3cccn3)c2)C1 ZINC000261685315 371701824 /nfs/dbraw/zinc/70/18/24/371701824.db2.gz HFKXFJRLFFYWJR-MRXNPFEDSA-N 1 1 270.380 2.043 50 0 CEAAMO c1cn(C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cn1 ZINC000370276200 373621739 /nfs/dbraw/zinc/62/17/39/373621739.db2.gz MSVCIFRSFSNPEJ-MRXNPFEDSA-N 1 1 271.364 2.174 50 0 CEAAMO CC(C)NC(=O)CC[N@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000252488911 189976696 /nfs/dbraw/zinc/97/66/96/189976696.db2.gz JBKYEMKVWHYYNT-CQSZACIVSA-N 1 1 264.344 2.487 50 0 CEAAMO C[N@@H+](Cc1sccc1Cl)C1(CO)CCOCC1 ZINC000283238906 375679333 /nfs/dbraw/zinc/67/93/33/375679333.db2.gz UBNBIFIEARMBKE-UHFFFAOYSA-N 1 1 275.801 2.375 50 0 CEAAMO Cc1cc(F)ccc1N1CCC(NC[C@@H]2CCC[NH2+]2)CC1 ZINC000426370535 377400820 /nfs/dbraw/zinc/40/08/20/377400820.db2.gz RKODAIKJFFXSBE-INIZCTEOSA-N 1 1 291.414 2.445 50 0 CEAAMO Cc1[nH+]ccn1CCNC(=O)c1conc1-c1ccccc1 ZINC000426477510 377407672 /nfs/dbraw/zinc/40/76/72/377407672.db2.gz FIMXNMHZIFHDFB-UHFFFAOYSA-N 1 1 296.330 2.277 50 0 CEAAMO CN(C)[C@H](C[NH2+][C@@H]1CCn2ccnc21)c1ccccc1 ZINC000293860123 377791885 /nfs/dbraw/zinc/79/18/85/377791885.db2.gz DDZHYNIZSMNVTH-HUUCEWRRSA-N 1 1 270.380 2.220 50 0 CEAAMO O=C(NCC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cnc[nH]1 ZINC000299774476 379134551 /nfs/dbraw/zinc/13/45/51/379134551.db2.gz IVENYYZIZHGZRG-HNNXBMFYSA-N 1 1 298.390 2.052 50 0 CEAAMO Cc1ncn(C)c1C(=O)NCC[C@H]1CCCC[N@@H+]1C(C)C ZINC000299774045 379135637 /nfs/dbraw/zinc/13/56/37/379135637.db2.gz FEYVHOJZEJKKTH-CQSZACIVSA-N 1 1 292.427 2.111 50 0 CEAAMO COc1ccc(CC[N@@H+](C)Cc2[nH]cnc2C)cc1OC ZINC000299784746 379136948 /nfs/dbraw/zinc/13/69/48/379136948.db2.gz 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/nfs/dbraw/zinc/99/61/30/362996130.db2.gz WMQZSSMVOYVFKL-ZDUSSCGKSA-N 1 1 295.346 2.038 50 0 CEAAMO Cc1noc(C)c1C[N@H+]1CCC[C@@H]1Cn1cccn1 ZINC000069769134 362996938 /nfs/dbraw/zinc/99/69/38/362996938.db2.gz HKBNUNJLNLZSPX-CYBMUJFWSA-N 1 1 260.341 2.153 50 0 CEAAMO Cc1[nH+]ccn1[C@H]1CCCN(C(=O)Cc2ccc(C)nc2)C1 ZINC000069899502 363011423 /nfs/dbraw/zinc/01/14/23/363011423.db2.gz RFHSRTSFNKKELR-INIZCTEOSA-N 1 1 298.390 2.301 50 0 CEAAMO OCCOCC[N@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000072476100 363137093 /nfs/dbraw/zinc/13/70/93/363137093.db2.gz FXAZRKADUPXJNV-HNNXBMFYSA-N 1 1 267.344 2.362 50 0 CEAAMO C[NH+]1CCC([N@@H+]2CC[C@@H](c3ccccc3C(=O)[O-])C2)CC1 ZINC000072127250 363120702 /nfs/dbraw/zinc/12/07/02/363120702.db2.gz VZAWDBPBYJQAFA-CYBMUJFWSA-N 1 1 288.391 2.268 50 0 CEAAMO C[NH+]1CCC([N@H+]2CC[C@@H](c3ccccc3C(=O)[O-])C2)CC1 ZINC000072127250 363120710 /nfs/dbraw/zinc/12/07/10/363120710.db2.gz VZAWDBPBYJQAFA-CYBMUJFWSA-N 1 1 288.391 2.268 50 0 CEAAMO COC[C@H](C)[NH+]1CCN(C(=O)CC2=CCCCC2)CC1 ZINC000072290606 363126903 /nfs/dbraw/zinc/12/69/03/363126903.db2.gz HXHSPISJGGTZSM-AWEZNQCLSA-N 1 1 280.412 2.056 50 0 CEAAMO CCNC(=O)N[C@@H]1CC[N@H+](C2CCCCCC2)C1 ZINC000084791072 540129354 /nfs/dbraw/zinc/12/93/54/540129354.db2.gz ZFRPKSDNGSTCRT-GFCCVEGCSA-N 1 1 253.390 2.103 50 0 CEAAMO Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]Cc1ncnn1C ZINC000095982179 540164494 /nfs/dbraw/zinc/16/44/94/540164494.db2.gz XDOIXJJYHLQUJL-AAEUAGOBSA-N 1 1 256.353 2.462 50 0 CEAAMO CSCC[N@H+]1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000451870866 283130796 /nfs/dbraw/zinc/13/07/96/283130796.db2.gz IYDXJJGMPRKOEB-SNVBAGLBSA-N 1 1 270.364 2.165 50 0 CEAAMO CC1CCC([N@@H+](CCn2cncn2)C[C@@H]2CCCO2)CC1 ZINC000075834032 363490922 /nfs/dbraw/zinc/49/09/22/363490922.db2.gz ZXOHIFVJALBXPY-GPANFISMSA-N 1 1 292.427 2.338 50 0 CEAAMO C[C@@H]1C[C@H]([N@H+]2CCC[C@@H]2C[C@H](O)c2ccccc2)C(=O)O1 ZINC000076108167 363522347 /nfs/dbraw/zinc/52/23/47/363522347.db2.gz SQFORXOJERDIJA-OJLVUWQFSA-N 1 1 289.375 2.279 50 0 CEAAMO CO[C@H]1CCC[N@@H+](Cc2ccc3c(c2)OCCO3)C1 ZINC000076343411 363538536 /nfs/dbraw/zinc/53/85/36/363538536.db2.gz JDCSYNOFAKRMEB-ZDUSSCGKSA-N 1 1 263.337 2.069 50 0 CEAAMO COC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000134791239 366360161 /nfs/dbraw/zinc/36/01/61/366360161.db2.gz BKOIPOWIBMMKDH-GLQYFDAESA-N 1 1 295.354 2.275 50 0 CEAAMO COC(=O)[C@H](C)[N@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000134791239 366360163 /nfs/dbraw/zinc/36/01/63/366360163.db2.gz BKOIPOWIBMMKDH-GLQYFDAESA-N 1 1 295.354 2.275 50 0 CEAAMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cc(F)cc(F)c1 ZINC000079098907 363578525 /nfs/dbraw/zinc/57/85/25/363578525.db2.gz LHPQFCJNUBERBO-OTYXRUKQSA-N 1 1 280.318 2.177 50 0 CEAAMO CC(C)c1[nH+]ccn1[C@H](C)C(=O)N1CCc2nocc2C1 ZINC000670452746 540416666 /nfs/dbraw/zinc/41/66/66/540416666.db2.gz NDCHJBCFHWZRAI-LLVKDONJSA-N 1 1 288.351 2.140 50 0 CEAAMO CNC(=O)C[C@@H]1CC[N@@H+](Cc2cccc3[nH]ccc32)C1 ZINC000670450903 540415828 /nfs/dbraw/zinc/41/58/28/540415828.db2.gz GDOFCUFUHUETPU-LBPRGKRZSA-N 1 1 271.364 2.126 50 0 CEAAMO C[N@H+](Cc1ccc(Cn2cccn2)cc1)C[C@@H]1CCOC1 ZINC000670461818 540422449 /nfs/dbraw/zinc/42/24/49/540422449.db2.gz FYFHDGLIMRXRKC-KRWDZBQOSA-N 1 1 285.391 2.400 50 0 CEAAMO CCn1cc(NC(=O)NCCCCn2cc[nH+]c2C)cn1 ZINC000080563993 363669104 /nfs/dbraw/zinc/66/91/04/363669104.db2.gz KNBXRJFNERRTRT-UHFFFAOYSA-N 1 1 290.371 2.010 50 0 CEAAMO Cc1cccc(-c2n[nH]cc2C[N@@H+]2CC[C@@](F)(CO)C2)c1 ZINC000338998555 366606851 /nfs/dbraw/zinc/60/68/51/366606851.db2.gz NXNAXAPRQUJMMR-INIZCTEOSA-N 1 1 289.354 2.291 50 0 CEAAMO Cc1cccc(-c2n[nH]cc2C[N@H+]2CC[C@@](F)(CO)C2)c1 ZINC000338998555 366606853 /nfs/dbraw/zinc/60/68/53/366606853.db2.gz NXNAXAPRQUJMMR-INIZCTEOSA-N 1 1 289.354 2.291 50 0 CEAAMO COc1ccccc1C[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000179469521 189196540 /nfs/dbraw/zinc/19/65/40/189196540.db2.gz GDYQTTBYZBRGOR-AWEZNQCLSA-N 1 1 272.352 2.124 50 0 CEAAMO C[N@@H+](CCOC(=O)c1ccc2c(c1)OCCO2)C(C)(C)C ZINC000004122161 361301123 /nfs/dbraw/zinc/30/11/23/361301123.db2.gz DTODNDKNZWCGMK-UHFFFAOYSA-N 1 1 293.363 2.345 50 0 CEAAMO COc1ccc(NC(=O)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000015837340 361480542 /nfs/dbraw/zinc/48/05/42/361480542.db2.gz PNPISAIJSPJHGA-BETUJISGSA-N 1 1 292.379 2.133 50 0 CEAAMO COc1cccc(C[N@H+](C)Cc2cn(C)nc2C)c1 ZINC000016989911 361500816 /nfs/dbraw/zinc/50/08/16/361500816.db2.gz HZQQGLMBANZWKA-UHFFFAOYSA-N 1 1 259.353 2.369 50 0 CEAAMO COc1cccc(C[N@@H+](C)Cc2cn(C)nc2C)c1 ZINC000016989911 361500818 /nfs/dbraw/zinc/50/08/18/361500818.db2.gz HZQQGLMBANZWKA-UHFFFAOYSA-N 1 1 259.353 2.369 50 0 CEAAMO CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000184066345 189375499 /nfs/dbraw/zinc/37/54/99/189375499.db2.gz OWVSPAZGMBQDJD-SQWLQELKSA-N 1 1 290.407 2.048 50 0 CEAAMO C[C@H]1CN(C2CC[NH+](Cc3ccccn3)CC2)C[C@H](C)O1 ZINC000019889059 361564695 /nfs/dbraw/zinc/56/46/95/361564695.db2.gz RFBDWXWUTHLRTG-GJZGRUSLSA-N 1 1 289.423 2.155 50 0 CEAAMO O=C(CC1CCCCC1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000023584146 361600721 /nfs/dbraw/zinc/60/07/21/361600721.db2.gz NQQIPPNFFMBIDE-INIZCTEOSA-N 1 1 294.439 2.280 50 0 CEAAMO CC/C=C/CC[N@@H+]1CC[C@@H](N2CCN(CC)CC2)C1 ZINC000184537773 189389111 /nfs/dbraw/zinc/38/91/11/189389111.db2.gz UYAHXAVCWVYYQI-SQRWCISFSA-N 1 1 265.445 2.055 50 0 CEAAMO CC/C=C/CC[N@H+]1CC[C@@H](N2CCN(CC)CC2)C1 ZINC000184537773 189389112 /nfs/dbraw/zinc/38/91/12/189389112.db2.gz UYAHXAVCWVYYQI-SQRWCISFSA-N 1 1 265.445 2.055 50 0 CEAAMO Cc1ccc(-c2nc(C[NH+]3CCC(C(N)=O)CC3)co2)cc1 ZINC000024957260 361615477 /nfs/dbraw/zinc/61/54/77/361615477.db2.gz URSKJYSAMIDTEW-UHFFFAOYSA-N 1 1 299.374 2.347 50 0 CEAAMO C[C@H](CO)[N@@H+](C)Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000089901495 364014978 /nfs/dbraw/zinc/01/49/78/364014978.db2.gz XVHQVUPYFVJCGH-LLVKDONJSA-N 1 1 287.359 2.094 50 0 CEAAMO Cc1[nH]ccc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000089536754 363977892 /nfs/dbraw/zinc/97/78/92/363977892.db2.gz DHWCGOOPTXQPDC-KGLIPLIRSA-N 1 1 275.396 2.410 50 0 CEAAMO COC(=O)c1ccc(C[N@H+]2CCCSCC2)s1 ZINC000089982705 364025940 /nfs/dbraw/zinc/02/59/40/364025940.db2.gz HGUIQIXWBXSFHI-UHFFFAOYSA-N 1 1 271.407 2.474 50 0 CEAAMO Clc1cnc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)nc1 ZINC000093537093 364198849 /nfs/dbraw/zinc/19/88/49/364198849.db2.gz NZAZRBZCXHZEKU-GHMZBOCLSA-N 1 1 252.749 2.169 50 0 CEAAMO COc1ncnc(N)c1C[N@H+](C)[C@H](C)Cc1ccsc1 ZINC000093705719 364218692 /nfs/dbraw/zinc/21/86/92/364218692.db2.gz FIFSREKDIYYWOI-SNVBAGLBSA-N 1 1 292.408 2.192 50 0 CEAAMO COc1ncnc(N)c1C[N@@H+](C)[C@H](C)Cc1ccsc1 ZINC000093705719 364218695 /nfs/dbraw/zinc/21/86/95/364218695.db2.gz FIFSREKDIYYWOI-SNVBAGLBSA-N 1 1 292.408 2.192 50 0 CEAAMO CCc1nsc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000094266979 364263657 /nfs/dbraw/zinc/26/36/57/364263657.db2.gz UUZUHYXUUITTSN-NXEZZACHSA-N 1 1 252.387 2.139 50 0 CEAAMO CCn1nccc1CC[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000240912293 370779912 /nfs/dbraw/zinc/77/99/12/370779912.db2.gz IXEGGOLWTUAIEP-GJZGRUSLSA-N 1 1 263.385 2.089 50 0 CEAAMO COCC[N@H+]1CCC[C@H](Nc2ccc(Cl)cn2)C1 ZINC000095408830 364362565 /nfs/dbraw/zinc/36/25/65/364362565.db2.gz WRTVIIGYVPQXFH-LBPRGKRZSA-N 1 1 269.776 2.258 50 0 CEAAMO COC(=O)C[C@@H]1C[N@@H+]([C@@H]2CCCc3ccccc32)CCO1 ZINC000095408342 364362709 /nfs/dbraw/zinc/36/27/09/364362709.db2.gz GFZLXRANARNROV-GDBMZVCRSA-N 1 1 289.375 2.328 50 0 CEAAMO COC(=O)C[C@@H]1C[N@H+]([C@@H]2CCCc3ccccc32)CCO1 ZINC000095408342 364362714 /nfs/dbraw/zinc/36/27/14/364362714.db2.gz GFZLXRANARNROV-GDBMZVCRSA-N 1 1 289.375 2.328 50 0 CEAAMO C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]Cc1nncn1C ZINC000095420194 364368757 /nfs/dbraw/zinc/36/87/57/364368757.db2.gz GPHHLXSTAHLRJZ-MEBBXXQBSA-N 1 1 274.343 2.367 50 0 CEAAMO CCc1[nH+]ccn1Cc1cnn(C)c1C(F)(F)F ZINC000095441071 364379962 /nfs/dbraw/zinc/37/99/62/364379962.db2.gz KHWDQLGNVNDMHM-UHFFFAOYSA-N 1 1 258.247 2.246 50 0 CEAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cccc2c1ccn2C ZINC000095479714 364390643 /nfs/dbraw/zinc/39/06/43/364390643.db2.gz VSOMMNISINYRTK-CYBMUJFWSA-N 1 1 285.391 2.392 50 0 CEAAMO Brc1cnc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)nc1 ZINC000095954822 364395018 /nfs/dbraw/zinc/39/50/18/364395018.db2.gz BDABZUDROHLVRT-WDEREUQCSA-N 1 1 297.200 2.278 50 0 CEAAMO CC(C)c1[nH+]ccn1[C@H](C)C(=O)NCCc1ccncc1 ZINC000095365462 364346684 /nfs/dbraw/zinc/34/66/84/364346684.db2.gz HVJDASOKLGLJKU-CYBMUJFWSA-N 1 1 286.379 2.321 50 0 CEAAMO CC[N@H+]1CCC[C@@H]1Cn1cccc(C(F)(F)F)c1=O ZINC000095370755 364349127 /nfs/dbraw/zinc/34/91/27/364349127.db2.gz VTUBGWRRQSWJPS-SNVBAGLBSA-N 1 1 274.286 2.351 50 0 CEAAMO Cc1ccc(CCNC(=O)CC[C@H]2CCC[N@H+](C)C2)o1 ZINC000095378981 364351372 /nfs/dbraw/zinc/35/13/72/364351372.db2.gz FJDPARQTACNTMS-CQSZACIVSA-N 1 1 278.396 2.369 50 0 CEAAMO CCOc1cccc(C[N@@H+]2CCCC3(C2)OCCO3)c1 ZINC000097058912 364438164 /nfs/dbraw/zinc/43/81/64/364438164.db2.gz NHIWJGVXJAILIG-UHFFFAOYSA-N 1 1 277.364 2.424 50 0 CEAAMO CCOc1cccc(C[N@H+]2CCCC3(C2)OCCO3)c1 ZINC000097058912 364438171 /nfs/dbraw/zinc/43/81/71/364438171.db2.gz NHIWJGVXJAILIG-UHFFFAOYSA-N 1 1 277.364 2.424 50 0 CEAAMO CN(Cc1ccoc1)C(=O)c1ccc(C[NH+](C)C)o1 ZINC000097088533 364444724 /nfs/dbraw/zinc/44/47/24/364444724.db2.gz NLCLUUMHDCZEHM-UHFFFAOYSA-N 1 1 262.309 2.206 50 0 CEAAMO CN(C)c1ccc(C[N@@H+](C)CC[C@H]2CCCO2)cn1 ZINC000097104867 364451130 /nfs/dbraw/zinc/45/11/30/364451130.db2.gz OFFVDJCYNWYKRL-CQSZACIVSA-N 1 1 263.385 2.149 50 0 CEAAMO Cn1c[nH+]cc1CCNc1cnc2ccccc2n1 ZINC000097108385 364453717 /nfs/dbraw/zinc/45/37/17/364453717.db2.gz MMXIGQDJPAYGPR-UHFFFAOYSA-N 1 1 253.309 2.018 50 0 CEAAMO COC(=O)c1cc(C[N@@H+](C)[C@@H](C)c2ccncc2)c[nH]1 ZINC000097113689 364456794 /nfs/dbraw/zinc/45/67/94/364456794.db2.gz PCEYHZUQSCQZLV-NSHDSACASA-N 1 1 273.336 2.389 50 0 CEAAMO Cc1[nH]ncc1C[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000097159141 364466825 /nfs/dbraw/zinc/46/68/25/364466825.db2.gz XNDZSJKKZANWJM-CQSZACIVSA-N 1 1 270.380 2.334 50 0 CEAAMO CC(C)(C)OC(=O)[C@@]12CCC[C@H]1C[N@H+](Cc1ncc[nH]1)C2 ZINC000241277629 370781820 /nfs/dbraw/zinc/78/18/20/370781820.db2.gz LHUNJVMETKLWBH-BLLLJJGKSA-N 1 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297.468 2.008 50 0 CEAAMO C[N@H+]1CCCN(C(=O)Cc2c(F)cccc2Cl)CC1 ZINC000013323011 361425097 /nfs/dbraw/zinc/42/50/97/361425097.db2.gz FNKFUKQBGMWVBJ-UHFFFAOYSA-N 1 1 284.762 2.186 50 0 CEAAMO CC[NH+]1CCN(C(=O)[C@H](C)Oc2cc(C)ccc2C)CC1 ZINC000013710673 361438374 /nfs/dbraw/zinc/43/83/74/361438374.db2.gz RURWCKOKAHFUMP-HNNXBMFYSA-N 1 1 290.407 2.235 50 0 CEAAMO Cn1cc(C[N@H+]2CCC[C@H](Nc3ccccc3)C2)cn1 ZINC000015070276 361464255 /nfs/dbraw/zinc/46/42/55/361464255.db2.gz QEPMWKRSQURJML-INIZCTEOSA-N 1 1 270.380 2.497 50 0 CEAAMO Cc1nn(C)c(C)c1C[NH2+]Cc1nc2ccccc2n1C ZINC000015517296 361474191 /nfs/dbraw/zinc/47/41/91/361474191.db2.gz JLNJREVGLISWBO-UHFFFAOYSA-N 1 1 283.379 2.213 50 0 CEAAMO CC[NH+]1CCN(C(=O)c2cccc(OC(C)C)c2)CC1 ZINC000016580160 361491624 /nfs/dbraw/zinc/49/16/24/361491624.db2.gz OAAVFXUZTSQPDI-UHFFFAOYSA-N 1 1 276.380 2.252 50 0 CEAAMO Cc1cc(CN(C)C(=O)CC[N@@H+]2CCC[C@H](C)C2)on1 ZINC000019300731 361526389 /nfs/dbraw/zinc/52/63/89/361526389.db2.gz MKOAKOKQRGBADD-LBPRGKRZSA-N 1 1 279.384 2.063 50 0 CEAAMO C[C@H]1CN(C2CC[NH+](Cc3ccncc3)CC2)C[C@H](C)O1 ZINC000019889913 361564112 /nfs/dbraw/zinc/56/41/12/361564112.db2.gz SSWACDZPHXMSIO-GJZGRUSLSA-N 1 1 289.423 2.155 50 0 CEAAMO OCC[C@H]1C[N@H+](C2CCCC2)CCN1Cc1ccccc1 ZINC000019633641 361545037 /nfs/dbraw/zinc/54/50/37/361545037.db2.gz PKEXICIRYFSNFC-SFHVURJKSA-N 1 1 288.435 2.498 50 0 CEAAMO C[C@@H]1CN(C2CC[NH+](Cc3cccnc3)CC2)C[C@@H](C)O1 ZINC000019939095 361569238 /nfs/dbraw/zinc/56/92/38/361569238.db2.gz AVZDUXAFQAAHDB-HUUCEWRRSA-N 1 1 289.423 2.155 50 0 CEAAMO O=C(c1ccc(F)cc1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000019742586 361550891 /nfs/dbraw/zinc/55/08/91/361550891.db2.gz UHDDYCQVOFGXHA-CQSZACIVSA-N 1 1 262.328 2.136 50 0 CEAAMO c1cnn(CCC[N@H+]2CCO[C@H](Cc3ccccc3)C2)c1 ZINC000019788666 361553262 /nfs/dbraw/zinc/55/32/62/361553262.db2.gz GLJFPETYCWBSLJ-QGZVFWFLSA-N 1 1 285.391 2.217 50 0 CEAAMO Cc1[nH+]ccn1Cc1cc(=O)oc2c(C)c(O)ccc12 ZINC000023057955 361593432 /nfs/dbraw/zinc/59/34/32/361593432.db2.gz HMDCWNQEBDWPIZ-UHFFFAOYSA-N 1 1 270.288 2.360 50 0 CEAAMO CC[NH+]1CCN(C(=O)Cc2cc(C)ccc2C)CC1 ZINC000020040791 361574621 /nfs/dbraw/zinc/57/46/21/361574621.db2.gz ZSAVOVMEBBZFST-UHFFFAOYSA-N 1 1 260.381 2.010 50 0 CEAAMO CC[N@H+](CCO)CC(=O)Nc1c(C)cccc1C(C)C ZINC000024671021 361612566 /nfs/dbraw/zinc/61/25/66/361612566.db2.gz CMKQPXXKPFQYSJ-UHFFFAOYSA-N 1 1 278.396 2.371 50 0 CEAAMO CC[N@@H+](CCO)CC(=O)Nc1c(C)cccc1C(C)C ZINC000024671021 361612570 /nfs/dbraw/zinc/61/25/70/361612570.db2.gz CMKQPXXKPFQYSJ-UHFFFAOYSA-N 1 1 278.396 2.371 50 0 CEAAMO CCOc1ccc(OCCCCN2CC[NH+](C)CC2)cc1 ZINC000020118153 361579991 /nfs/dbraw/zinc/57/99/91/361579991.db2.gz VALNZGYGYIVSAE-UHFFFAOYSA-N 1 1 292.423 2.492 50 0 CEAAMO C[NH+]1CCN(Cc2ccccc2C(=O)C2CC2)CC1 ZINC000022028266 361586956 /nfs/dbraw/zinc/58/69/56/361586956.db2.gz FKYXNVRWTKIQBI-UHFFFAOYSA-N 1 1 258.365 2.027 50 0 CEAAMO C[C@@H](C(=O)Nc1nccs1)[NH+]1CCCCCC1 ZINC000025407378 361625457 /nfs/dbraw/zinc/62/54/57/361625457.db2.gz 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C[C@@H]([NH2+][C@@H](C)c1nc(C2CC2)no1)[C@H](C)n1cccn1 ZINC000240886206 370779276 /nfs/dbraw/zinc/77/92/76/370779276.db2.gz INTLHMGSGVRSLX-VWYCJHECSA-N 1 1 275.356 2.444 50 0 CEAAMO O[C@H](Cn1cccn1)C[N@H+]1CCC[C@H]1c1ccsc1 ZINC000240454690 370779876 /nfs/dbraw/zinc/77/98/76/370779876.db2.gz FYDOYMUMKCIIEH-KBPBESRZSA-N 1 1 277.393 2.143 50 0 CEAAMO Cc1cc(F)ccc1C[N@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000093808931 364227933 /nfs/dbraw/zinc/22/79/33/364227933.db2.gz IDHSPHHXJUCCOQ-LBPRGKRZSA-N 1 1 264.344 2.222 50 0 CEAAMO C[C@H]1C[N@@H+](C[C@@H]2CCCCO2)CCN1c1nccs1 ZINC000095351803 364343752 /nfs/dbraw/zinc/34/37/52/364343752.db2.gz DUJBBRFFRCNWRC-STQMWFEESA-N 1 1 281.425 2.223 50 0 CEAAMO COCCC[N@H+]1CC[C@@H](CNc2cc(C(C)C)ncn2)C1 ZINC000095384336 364353536 /nfs/dbraw/zinc/35/35/36/364353536.db2.gz SLCFCMVAZAGIFT-AWEZNQCLSA-N 1 1 292.427 2.370 50 0 CEAAMO CCCc1nnc(N2CCC[C@]3(CCC[N@@H+](C)C3)C2)o1 ZINC000095387824 364354661 /nfs/dbraw/zinc/35/46/61/364354661.db2.gz HONAJBWOQJGYSS-HNNXBMFYSA-N 1 1 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