smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=S(=O)([C@H]1CC[N@H+](Cc2cccc(F)c2[O-])C1)N1CCCC1 ZINC000374902873 250275992 /nfs/dbraw/zinc/27/59/92/250275992.db2.gz YVRSMRCRVNSXCM-ZDUSSCGKSA-N 0 1 328.409 1.531 20 10 EDCDMN CCN(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000051688416 441420908 /nfs/dbraw/zinc/42/09/08/441420908.db2.gz ZWSVQTXDKGAOEU-UHFFFAOYSA-N 0 1 335.423 1.763 20 10 EDCDMN COc1cccc(CN2CC[C@H](S(=O)(=O)NC3CC3)C2)c1O ZINC000092071830 441771212 /nfs/dbraw/zinc/77/12/12/441771212.db2.gz YUWFMAVVCLWIFR-ZDUSSCGKSA-N 0 1 326.418 1.057 20 10 EDCDMN Cc1ccc(C(=O)N2CCC(N3CCO[C@H](C)C3)CC2)c(O)c1O ZINC000177676590 442369603 /nfs/dbraw/zinc/36/96/03/442369603.db2.gz SWUQIQMYHUWLFD-CYBMUJFWSA-N 0 1 334.416 1.732 20 10 EDCDMN COc1ccc(N2CCN(CCCNC(=O)C(F)F)CC2)cc1 ZINC000193931095 442814785 /nfs/dbraw/zinc/81/47/85/442814785.db2.gz DKSWUBRWGIRIIF-UHFFFAOYSA-N 0 1 327.375 1.589 20 10 EDCDMN COCCO[C@@H]1C[C@H](CO)CN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000278736401 443419543 /nfs/dbraw/zinc/41/95/43/443419543.db2.gz QZFWGDYHGPXOQD-JKSUJKDBSA-N 0 1 340.439 1.738 20 10 EDCDMN COCCO[C@H]1C[C@H](CO)C[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000278711742 443410034 /nfs/dbraw/zinc/41/00/34/443410034.db2.gz OMRGCCIBZKDHNM-JSGCOSHPSA-N 0 1 329.824 1.891 20 10 EDCDMN COCCn1cc(CN(C)Cc2ccc(N3CCOCC3)cc2)cn1 ZINC000271052237 443488738 /nfs/dbraw/zinc/48/87/38/443488738.db2.gz WVHGTFFTFAFORT-UHFFFAOYSA-N 0 1 344.459 1.998 20 10 EDCDMN COc1ccc(O)c(CN2CCN(c3ccc(C(N)=O)cc3)CC2)c1 ZINC000271815353 443514541 /nfs/dbraw/zinc/51/45/41/443514541.db2.gz MNZWLIYPCXZJPJ-UHFFFAOYSA-N 0 1 341.411 1.822 20 10 EDCDMN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCc1cn[nH]c1C ZINC000284338826 443773408 /nfs/dbraw/zinc/77/34/08/443773408.db2.gz XSRXYWBNJRAOQC-UHFFFAOYSA-N 0 1 343.431 1.449 20 10 EDCDMN Cc1[nH]ncc1CNC(=O)C(=O)NCc1c(C)c2ccccc2n1C ZINC000340547866 444434558 /nfs/dbraw/zinc/43/45/58/444434558.db2.gz UJEXRSLPHVTBNK-UHFFFAOYSA-N 0 1 339.399 1.451 20 10 EDCDMN COc1c([O-])c(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000364588745 445934398 /nfs/dbraw/zinc/93/43/98/445934398.db2.gz LTMAIKLRMVUWAA-UFGOTCBOSA-N 0 1 335.360 1.395 20 10 EDCDMN COc1c([O-])c(C[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000364588745 445934402 /nfs/dbraw/zinc/93/44/02/445934402.db2.gz LTMAIKLRMVUWAA-UFGOTCBOSA-N 0 1 335.360 1.395 20 10 EDCDMN O=C1NC(=O)[C@@]2(CC[N@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)N1 ZINC000370338945 446235855 /nfs/dbraw/zinc/23/58/55/446235855.db2.gz FLZRUEXDTHRJEF-ZDUSSCGKSA-N 0 1 330.171 1.483 20 10 EDCDMN CC(C)N1CCO[C@H](C(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000370542921 446325425 /nfs/dbraw/zinc/32/54/25/446325425.db2.gz DNOGABXRWMCWIB-SFHVURJKSA-N 0 1 332.444 1.996 20 10 EDCDMN COc1ccc(N2CCCN(C(=O)C[C@@H]3COCCN3)CC2)cc1 ZINC000375821783 447080561 /nfs/dbraw/zinc/08/05/61/447080561.db2.gz BXXGJHVYELMPDE-OAHLLOKOSA-N 0 1 333.432 1.112 20 10 EDCDMN COc1ccc(N2CCN(CCCNC(=O)[C@H]3CCCO3)CC2)cc1 ZINC000041980948 524423808 /nfs/dbraw/zinc/42/38/08/524423808.db2.gz SHXQVTLTEHWTEM-GOSISDBHSA-N 0 1 347.459 1.503 20 10 EDCDMN CCN(CC)c1ccc(CN2CC[C@@H](NS(C)(=O)=O)C2)cc1 ZINC000093531474 528299834 /nfs/dbraw/zinc/29/98/34/528299834.db2.gz RSGQBLOQWAGVFB-OAHLLOKOSA-N 0 1 325.478 1.656 20 10 EDCDMN CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1c([O-])ccc2ccncc21 ZINC000749972091 579746363 /nfs/dbraw/zinc/74/63/63/579746363.db2.gz OUVXHKWFPDPXDV-CYBMUJFWSA-N 0 1 335.429 1.454 20 10 EDCDMN CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1c([O-])ccc2ccncc21 ZINC000749972091 579746364 /nfs/dbraw/zinc/74/63/64/579746364.db2.gz OUVXHKWFPDPXDV-CYBMUJFWSA-N 0 1 335.429 1.454 20 10 EDCDMN CN(C)c1ccc(CNC(=O)CNC(C)(C)c2cnn(C)c2)cc1 ZINC000754870097 579914836 /nfs/dbraw/zinc/91/48/36/579914836.db2.gz GAEYYTJSOCXWQC-UHFFFAOYSA-N 0 1 329.448 1.627 20 10 EDCDMN C[NH+](C)CCCNC(=O)NCc1cccc(Br)c1[O-] ZINC000765445483 580142636 /nfs/dbraw/zinc/14/26/36/580142636.db2.gz KFGPDVXQMPIWPS-UHFFFAOYSA-N 0 1 330.226 1.906 20 10 EDCDMN C[C@H](CN1CCN(C)CC1)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773369175 580335507 /nfs/dbraw/zinc/33/55/07/580335507.db2.gz BMKYZBZROCAZDI-HZPDHXFCSA-N 0 1 347.507 1.749 20 10 EDCDMN CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@H](O)C(C)(C)C1)cc2=O ZINC000782577363 580578225 /nfs/dbraw/zinc/57/82/25/580578225.db2.gz BARLKVHESJSPBL-ZDUSSCGKSA-N 0 1 348.403 1.204 20 10 EDCDMN COc1cc(Br)cc(CN2C[C@@H]3C[C@]3(CO)C2)c1O ZINC000783742318 580605082 /nfs/dbraw/zinc/60/50/82/580605082.db2.gz OAGWXXFSCNSVHH-IINYFYTJSA-N 0 1 328.206 1.978 20 10 EDCDMN CC(C)(C(=O)NCc1ccc(N2CCOCC2)cc1)c1cnc[nH]1 ZINC000788290350 580716249 /nfs/dbraw/zinc/71/62/49/580716249.db2.gz MDUQEOHGMYDMHN-UHFFFAOYSA-N 0 1 328.416 1.840 20 10 EDCDMN CCOCCOC[C@H](O)C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000791007490 580782870 /nfs/dbraw/zinc/78/28/70/580782870.db2.gz XIZDOQMGWYMBHV-CYBMUJFWSA-N 0 1 348.237 1.658 20 10 EDCDMN COC(=O)C[C@@H]1CSCCN1Cc1ccc(OC)c(OC)c1O ZINC000892100989 590799846 /nfs/dbraw/zinc/79/98/46/590799846.db2.gz KPRRZRIPCOKEPD-GFCCVEGCSA-N 0 1 341.429 1.890 20 10 EDCDMN COCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1cccc(Cl)c1[O-] ZINC000892944267 591234472 /nfs/dbraw/zinc/23/44/72/591234472.db2.gz OFDXAUXDQNPJCE-ZDUSSCGKSA-N 0 1 341.839 1.956 20 10 EDCDMN COCC[N@H+]1CCC[C@H]1CNC(=O)NCc1cccc(Cl)c1[O-] ZINC000892944267 591234474 /nfs/dbraw/zinc/23/44/74/591234474.db2.gz OFDXAUXDQNPJCE-ZDUSSCGKSA-N 0 1 341.839 1.956 20 10 EDCDMN CN(C[C@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2[O-])C1)S(C)(=O)=O ZINC000894740143 591404339 /nfs/dbraw/zinc/40/43/39/591404339.db2.gz PIUJPWNJYMXZLN-LLVKDONJSA-N 0 1 348.415 1.774 20 10 EDCDMN CN1CCN(c2ccc(CN3CC4(C3)CCNC(=O)O4)cc2)CC1 ZINC000897751754 591643235 /nfs/dbraw/zinc/64/32/35/591643235.db2.gz SURFUFXCMBXIDW-UHFFFAOYSA-N 0 1 330.432 1.123 20 10 EDCDMN NS(=O)(=O)C[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000897058736 591727086 /nfs/dbraw/zinc/72/70/86/591727086.db2.gz RLJQKYHPZRHVHY-QMMMGPOBSA-N 0 1 339.244 1.809 20 10 EDCDMN Cn1cc([C@@H]2C[S@@](=O)CCN2Cc2cc(F)cc(F)c2O)cn1 ZINC000895378987 591737095 /nfs/dbraw/zinc/73/70/95/591737095.db2.gz LAABTUJPNOCOPU-PSLXWICFSA-N 0 1 341.383 1.710 20 10 EDCDMN COC[C@@](C)(CC(=O)[O-])[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000901796375 591837974 /nfs/dbraw/zinc/83/79/74/591837974.db2.gz VJNPYDVQBKPWLQ-GOSISDBHSA-N 0 1 335.448 1.408 20 10 EDCDMN CCOC(=O)N1C[C@@H](CO)[C@@H]([NH2+]Cc2c([O-])cc(C)cc2Cl)C1 ZINC000898350473 591882782 /nfs/dbraw/zinc/88/27/82/591882782.db2.gz IUBMCMAJEORFBZ-FZMZJTMJSA-N 0 1 342.823 1.893 20 10 EDCDMN COc1ccc(N2CCCN(C(=O)[C@]3(C)C[C@H](O)CN3C)CC2)cc1 ZINC000900294900 591977931 /nfs/dbraw/zinc/97/79/31/591977931.db2.gz NWTKYBPECQNWQT-LPHOPBHVSA-N 0 1 347.459 1.189 20 10 EDCDMN COc1cc(O)ccc1NS(=O)(=O)C[C@]1(OC(C)C)CCOC1 ZINC000901703425 592435062 /nfs/dbraw/zinc/43/50/62/592435062.db2.gz TZCLZGHPFMYEPT-HNNXBMFYSA-N 0 1 345.417 1.727 20 10 EDCDMN Oc1cc2c(cc1CN1CCN(c3cccc(F)n3)CC1)[C@@H](O)CO2 ZINC000840122074 593209588 /nfs/dbraw/zinc/20/95/88/593209588.db2.gz FZUQQLUCGRYBTR-HNNXBMFYSA-N 0 1 345.374 1.674 20 10 EDCDMN COCC(COC)N1CCN(Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000839623771 593353519 /nfs/dbraw/zinc/35/35/19/593353519.db2.gz TUWZYPWGSGTNRK-UHFFFAOYSA-N 0 1 335.492 1.840 20 10 EDCDMN CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@H](CO)[C@@H]1C)cc2=O ZINC000839672911 593367612 /nfs/dbraw/zinc/36/76/12/593367612.db2.gz IOJRDUXJFHKKAX-NWDGAFQWSA-N 0 1 348.403 1.204 20 10 EDCDMN COc1ccc(N2CCN(C(=O)CN3C[C@@H](O)CC[C@H]3C)CC2)cc1 ZINC000817286660 593588923 /nfs/dbraw/zinc/58/89/23/593588923.db2.gz XDXFHMIGMPJJEX-WBVHZDCISA-N 0 1 347.459 1.189 20 10 EDCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C1=CCS(=O)(=O)C1 ZINC000822948992 594127013 /nfs/dbraw/zinc/12/70/13/594127013.db2.gz CVCXGYLDNXESSP-UHFFFAOYSA-N 0 1 336.196 1.670 20 10 EDCDMN COC1CCN(c2ccc(CN3CCc4n[nH]nc4C3)cc2)CC1 ZINC000829139855 594572185 /nfs/dbraw/zinc/57/21/85/594572185.db2.gz LCSZVHXEDSAYRI-UHFFFAOYSA-N 0 1 327.432 1.978 20 10 EDCDMN CCCN(Cc1ccccc1O)C(=O)C[NH+]1CCC(NC(=O)[O-])CC1 ZINC000826911765 594600425 /nfs/dbraw/zinc/60/04/25/594600425.db2.gz FCNAAOFRPFJMDL-UHFFFAOYSA-N 0 1 349.431 1.863 20 10 EDCDMN C[C@@H](C[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1O)CS(C)(=O)=O ZINC000827449025 594673056 /nfs/dbraw/zinc/67/30/56/594673056.db2.gz GQEPIWPBBYAREV-JTQLQIEISA-N 0 1 349.836 1.613 20 10 EDCDMN O=C([O-])NCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000832397352 594747422 /nfs/dbraw/zinc/74/74/22/594747422.db2.gz SPLYMNPKEIUTLN-GFCCVEGCSA-N 0 1 341.795 1.394 20 10 EDCDMN C[C@@H]1CN(CCO)[C@@H](C)CN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000841715873 594942470 /nfs/dbraw/zinc/94/24/70/594942470.db2.gz FHMCWYNUEGTCAM-LSDHHAIUSA-N 0 1 334.464 1.349 20 10 EDCDMN CCN(C)c1ccc(CN2CCC[C@H]2C(=O)NCC(=O)OC)cc1 ZINC000842166182 595027397 /nfs/dbraw/zinc/02/73/97/595027397.db2.gz JIBSBDCFEANNNH-INIZCTEOSA-N 0 1 333.432 1.396 20 10 EDCDMN Cc1nc(CC(=O)NCc2cccc(Br)c2O)n[nH]1 ZINC000834475690 595135195 /nfs/dbraw/zinc/13/51/95/595135195.db2.gz AIXBTTKPWHTOGC-UHFFFAOYSA-N 0 1 325.166 1.440 20 10 EDCDMN CCN1CCN(CC(=O)N(C)CCN(C)c2ccc(OC)cc2)CC1 ZINC000846447662 595235821 /nfs/dbraw/zinc/23/58/21/595235821.db2.gz UQLVPSMCPJCNQK-UHFFFAOYSA-N 0 1 348.491 1.227 20 10 EDCDMN COc1c([O-])c(C[NH2+][C@H]2C[C@H]3CCCCN3C2=O)ccc1[N+](=O)[O-] ZINC000835073564 595257324 /nfs/dbraw/zinc/25/73/24/595257324.db2.gz NJYNENGIHDVSJI-NEPJUHHUSA-N 0 1 335.360 1.552 20 10 EDCDMN COc1ccc(N(C)CCN(C)[C@@H](C)C(=O)NC(=O)NC2CC2)cc1 ZINC000844400265 595337504 /nfs/dbraw/zinc/33/75/04/595337504.db2.gz YQYHDERCGVUEFR-ZDUSSCGKSA-N 0 1 348.447 1.440 20 10 EDCDMN Cc1cc(Br)c(O)c(CN2CC[N@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000848926092 595468513 /nfs/dbraw/zinc/46/85/13/595468513.db2.gz LDTZGMAMQDOQAS-QWHCGFSZSA-N 0 1 341.249 1.714 20 10 EDCDMN Cc1cc(Br)c([O-])c(CN2CC[N@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000848926092 595468516 /nfs/dbraw/zinc/46/85/16/595468516.db2.gz LDTZGMAMQDOQAS-QWHCGFSZSA-N 0 1 341.249 1.714 20 10 EDCDMN COCc1nc(CNCc2ccc(N3CCOCC3)c(F)c2)n[nH]1 ZINC000850361362 595819062 /nfs/dbraw/zinc/81/90/62/595819062.db2.gz YRDVKMIIZCXBTB-UHFFFAOYSA-N 0 1 335.383 1.217 20 10 EDCDMN CC1CCN(c2ccc(CNC(=O)NC[C@H]3COCCN3)cc2)CC1 ZINC000861573181 596032850 /nfs/dbraw/zinc/03/28/50/596032850.db2.gz CYCOPVQHXAMJAN-KRWDZBQOSA-N 0 1 346.475 1.711 20 10 EDCDMN COc1ccc(N2CCN(C(=O)CN(C3CC3)C3CC3)CC2)cc1 ZINC000859621088 596148618 /nfs/dbraw/zinc/14/86/18/596148618.db2.gz NZCCYURCYNKLAH-UHFFFAOYSA-N 0 1 329.444 1.971 20 10 EDCDMN COc1ccc(N2CC[C@H](NC(=O)N(C)CC3CN(C)C3)C2)cc1 ZINC000852450745 596167939 /nfs/dbraw/zinc/16/79/39/596167939.db2.gz UJZHNDBGTSEGCR-HNNXBMFYSA-N 0 1 332.448 1.477 20 10 EDCDMN Cn1cc([C@H]2C[C@@H](C(=O)[O-])C[N@@H+](Cc3cc(F)ccc3O)C2)cn1 ZINC000874051942 596908547 /nfs/dbraw/zinc/90/85/47/596908547.db2.gz WRZYMPJGLDASAA-WCQYABFASA-N 0 1 333.363 1.955 20 10 EDCDMN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCCN1CC[C@@H](O)C1 ZINC000875673251 596942591 /nfs/dbraw/zinc/94/25/91/596942591.db2.gz DLDYTENFIMIRIZ-CRAIPNDOSA-N 0 1 348.491 1.358 20 10 EDCDMN COc1cc(C)cc(CN2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)c1O ZINC000872795807 597073902 /nfs/dbraw/zinc/07/39/02/597073902.db2.gz OFEFLFGZMHTGRK-JSGCOSHPSA-N 0 1 325.430 1.576 20 10 EDCDMN COc1ccc(N(C)CCN(C)C(=O)c2cnc(CN)nc2)cc1 ZINC000876948724 597393997 /nfs/dbraw/zinc/39/39/97/597393997.db2.gz LPMGWXDQWAGKKE-UHFFFAOYSA-N 0 1 329.404 1.152 20 10 EDCDMN CN1CCN(c2ccc(CNC(=O)Nc3nncs3)cc2)CC1 ZINC000877895258 597562598 /nfs/dbraw/zinc/56/25/98/597562598.db2.gz CGWCDCANMRYZCE-UHFFFAOYSA-N 0 1 332.433 1.612 20 10 EDCDMN COCCCOCC(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000881852570 597755388 /nfs/dbraw/zinc/75/53/88/597755388.db2.gz WIHDYDMMEFBYPW-UHFFFAOYSA-N 0 1 335.448 1.108 20 10 EDCDMN CC(=O)c1cc(F)cc(C[N@@H+]2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)c1[O-] ZINC000879158173 597835778 /nfs/dbraw/zinc/83/57/78/597835778.db2.gz OGFUTPSMTKSOGH-CALCHBBNSA-N 0 1 334.347 1.219 20 10 EDCDMN CC(=O)c1cc(F)cc(C[N@H+]2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)c1[O-] ZINC000879158173 597835780 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ZINC000918904805 697222186 /nfs/dbraw/zinc/22/21/86/697222186.db2.gz BNQFQIXNHBHXKD-BMGDILEWSA-N 0 1 331.460 1.726 20 10 EDCDMN CCN1CC(N2CCN(C(=O)c3ccc(N=NC(N)=O)cc3)CC2)C1 ZINC000941681156 701620761 /nfs/dbraw/zinc/62/07/61/701620761.db2.gz LKEVMFJYZQNREW-UHFFFAOYSA-N 0 1 344.419 1.311 20 10 EDCDMN C[C@@H](O)CN1CCN(C(=O)NCc2ccc3c(c2)CCN3C)C[C@@H]1C ZINC000372445222 250218914 /nfs/dbraw/zinc/21/89/14/250218914.db2.gz FEYOEZXYVBRLPP-LSDHHAIUSA-N 0 1 346.475 1.275 20 10 EDCDMN COc1ccc(N2CCC(N(C)C(=O)[C@@H]3CNCCO3)CC2)cc1 ZINC000378207221 250298722 /nfs/dbraw/zinc/29/87/22/250298722.db2.gz CDKBHNRKWSFHHQ-KRWDZBQOSA-N 0 1 333.432 1.111 20 10 EDCDMN Cc1nnc(SCC(=O)N2CCOc3cc(N(C)C)ccc32)[nH]1 ZINC000074191425 441405776 /nfs/dbraw/zinc/40/57/76/441405776.db2.gz JEJDEXNCNDKPBT-UHFFFAOYSA-N 0 1 333.417 1.697 20 10 EDCDMN Cc1n[nH]c(SCC(=O)N2CCOc3cc(N(C)C)ccc32)n1 ZINC000074191425 441405779 /nfs/dbraw/zinc/40/57/79/441405779.db2.gz JEJDEXNCNDKPBT-UHFFFAOYSA-N 0 1 333.417 1.697 20 10 EDCDMN C[C@H]1CN(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC2)CCO1 ZINC000180766344 442657922 /nfs/dbraw/zinc/65/79/22/442657922.db2.gz ROEQAOOJNSNYLJ-KQIUPUNMSA-N 0 1 346.427 1.823 20 10 EDCDMN CNS(=O)(=O)CC[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000187177783 442658761 /nfs/dbraw/zinc/65/87/61/442658761.db2.gz CKFSBGJADGLDJI-QMMMGPOBSA-N 0 1 337.239 1.355 20 10 EDCDMN OC[C@@]1(NCc2cc3c(cc2O)OCO3)CCOc2ccccc21 ZINC000282528882 443365413 /nfs/dbraw/zinc/36/54/13/443365413.db2.gz YWMCKXGGTZRAPY-SFHVURJKSA-N 0 1 329.352 1.881 20 10 EDCDMN CCOc1ccc(O)c(CN2CCCC[C@H]2CNS(C)(=O)=O)c1 ZINC000271062541 443487958 /nfs/dbraw/zinc/48/79/58/443487958.db2.gz HLZWTWRLVZSYBP-AWEZNQCLSA-N 0 1 342.461 1.695 20 10 EDCDMN CCN1CCN(c2ccc(CNC(=O)c3cncnc3)cc2F)CC1 ZINC000273698468 443585039 /nfs/dbraw/zinc/58/50/39/443585039.db2.gz CJXDYJRTDXVVIR-UHFFFAOYSA-N 0 1 343.406 1.688 20 10 EDCDMN COc1ccc(O)c(CN2CCN(c3cncc4ncnn43)CC2)c1 ZINC000275896400 443646080 /nfs/dbraw/zinc/64/60/80/443646080.db2.gz ZYTVCGXHWMEMLU-UHFFFAOYSA-N 0 1 340.387 1.161 20 10 EDCDMN Cc1nc([C@H](C)NC(=O)C=Cc2ccc(N3CCOCC3)cc2)n[nH]1 ZINC000286456520 443712416 /nfs/dbraw/zinc/71/24/16/443712416.db2.gz SLPSDFYTPYMZQV-LJLILKBBSA-N 0 1 341.415 1.840 20 10 EDCDMN COc1c([O-])c(C[N@H+](C)C[C@@H]2C[C@H](OC)CN2C)ccc1[N+](=O)[O-] ZINC000284991453 443811506 /nfs/dbraw/zinc/81/15/06/443811506.db2.gz ZDRKWXRGWIGTSE-STQMWFEESA-N 0 1 339.392 1.460 20 10 EDCDMN CN(C)c1ccc(CN2CCC[C@H](S(=O)(=O)N(C)C)C2)cc1 ZINC000285491495 444004796 /nfs/dbraw/zinc/00/47/96/444004796.db2.gz DQULIKCNUDJGSS-INIZCTEOSA-N 0 1 325.478 1.608 20 10 EDCDMN COc1c([O-])c(C[N@H+](C)[C@@H](C)[C@@H](C)S(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000278312248 444136689 /nfs/dbraw/zinc/13/66/89/444136689.db2.gz WYUTWLARAUTZMQ-VHSXEESVSA-N 0 1 346.405 1.562 20 10 EDCDMN COc1c([O-])c(C[N@@H+](C)[C@@H](C)[C@@H](C)S(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000278312248 444136693 /nfs/dbraw/zinc/13/66/93/444136693.db2.gz WYUTWLARAUTZMQ-VHSXEESVSA-N 0 1 346.405 1.562 20 10 EDCDMN COc1ccc(N2CCC(N(C)C(=O)CCc3nc[nH]n3)CC2)cc1 ZINC000365865433 446378374 /nfs/dbraw/zinc/37/83/74/446378374.db2.gz XISYISJXPCXGBR-UHFFFAOYSA-N 0 1 343.431 1.873 20 10 EDCDMN CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@]23CCOC3)cc1 ZINC000367452742 446549036 /nfs/dbraw/zinc/54/90/36/446549036.db2.gz VYTZSVSOMVOWKD-LJQANCHMSA-N 0 1 331.460 1.966 20 10 EDCDMN CNS(=O)(=O)[C@@H]1CCCN(Cc2c(O)ccc(Cl)c2F)C1 ZINC000368991755 447251655 /nfs/dbraw/zinc/25/16/55/447251655.db2.gz VBZJGNRXMMINFT-SECBINFHSA-N 0 1 336.816 1.698 20 10 EDCDMN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CCCc2n[nH]nc21 ZINC000611650119 449371757 /nfs/dbraw/zinc/37/17/57/449371757.db2.gz MVVAIUBQICJMCL-GFCCVEGCSA-N 0 1 327.388 1.716 20 10 EDCDMN Cc1ccc(O)c(CN2CCN([C@H](C)C(=O)N3CCCC3)CC2)c1 ZINC000093843550 534193897 /nfs/dbraw/zinc/19/38/97/534193897.db2.gz YUZHOMIAQHKEBW-MRXNPFEDSA-N 0 1 331.460 1.829 20 10 EDCDMN Fc1cc(CN2CC[C@@H](n3cncn3)C2)ccc1N1CCOCC1 ZINC000777222058 580437536 /nfs/dbraw/zinc/43/75/36/580437536.db2.gz QGOYUOMWDLNDLS-OAHLLOKOSA-N 0 1 331.395 1.701 20 10 EDCDMN C[C@@H](NC(=O)CCc1nc[nH]n1)c1ccc(N2CCOCC2)cc1 ZINC000750609991 579772906 /nfs/dbraw/zinc/77/29/06/579772906.db2.gz AVWDUUTZLBJDRD-CYBMUJFWSA-N 0 1 329.404 1.451 20 10 EDCDMN O=C1N[C@H](c2cccc(Br)c2O)N2CCSC[C@@H]12 ZINC000765516955 580144589 /nfs/dbraw/zinc/14/45/89/580144589.db2.gz PDECSSWIPXSWGM-ONGXEEELSA-N 0 1 329.219 1.701 20 10 EDCDMN CO[C@@H]1CC[C@@H]2OCCN(Cc3cc4c(cc3O)OC[C@H]4O)[C@@H]2C1 ZINC000768465442 580214068 /nfs/dbraw/zinc/21/40/68/580214068.db2.gz MRJKDIWMNVNDLX-WNOSKKOXSA-N 0 1 335.400 1.586 20 10 EDCDMN C[C@H](CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)S(C)(=O)=O ZINC000773101215 580326996 /nfs/dbraw/zinc/32/69/96/580326996.db2.gz AUACFSROVVRZLX-OLZOCXBDSA-N 0 1 344.452 1.746 20 10 EDCDMN CCN(C)c1ccc(CN2CCC[C@H](S(=O)(=O)NC)C2)cc1 ZINC000773773513 580345870 /nfs/dbraw/zinc/34/58/70/580345870.db2.gz MYWVWDJIKSPMEG-INIZCTEOSA-N 0 1 325.478 1.656 20 10 EDCDMN COC(=O)c1cc(O)ccc1NS(=O)(=O)c1cccc(OC)c1 ZINC000775286981 580387318 /nfs/dbraw/zinc/38/73/18/580387318.db2.gz STYAHOGCNVWWPK-UHFFFAOYSA-N 0 1 337.353 1.988 20 10 EDCDMN C[S@@](=O)CCN1CCN(Cc2cc(Cl)cc(F)c2O)CC1 ZINC000775716542 580398362 /nfs/dbraw/zinc/39/83/62/580398362.db2.gz CLOKVHAVNZKMAL-OAQYLSRUSA-N 0 1 334.844 1.681 20 10 EDCDMN CC[C@H](CO)C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000779585364 580490613 /nfs/dbraw/zinc/49/06/13/580490613.db2.gz ODEYVWJZNZYZAV-MRXNPFEDSA-N 0 1 349.475 1.342 20 10 EDCDMN Cc1[nH]ncc1CNC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000788877747 580731489 /nfs/dbraw/zinc/73/14/89/580731489.db2.gz YSHKLRJENFZZMU-LLVKDONJSA-N 0 1 329.404 1.278 20 10 EDCDMN Cn1c2ccc(NC(=O)c3c(F)ccc(O)c3O)cc2n(C)c1=O ZINC000789963782 580758082 /nfs/dbraw/zinc/75/80/82/580758082.db2.gz OFKBYVKJLQOHEY-UHFFFAOYSA-N 0 1 331.303 1.680 20 10 EDCDMN Cn1cccc1C(=O)N1CCN(Cc2cc(F)cc(F)c2O)CC1 ZINC000893917075 591137794 /nfs/dbraw/zinc/13/77/94/591137794.db2.gz PLAVTOVMGKDBSF-UHFFFAOYSA-N 0 1 335.354 1.967 20 10 EDCDMN C[C@@H](NC(=O)NCCN1CCC(O)CC1)c1ccc(N(C)C)cc1 ZINC000894287848 591267203 /nfs/dbraw/zinc/26/72/03/591267203.db2.gz XGKMXBAGDBBXAV-CQSZACIVSA-N 0 1 334.464 1.570 20 10 EDCDMN C[C@@H]1CN(Cc2cc(Br)cc(F)c2O)C[C@H](CO)O1 ZINC000894538599 591336965 /nfs/dbraw/zinc/33/69/65/591336965.db2.gz SIPRNRHYTARZSA-LDYMZIIASA-N 0 1 334.185 1.875 20 10 EDCDMN NS(=O)(=O)C[C@H]1CC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000897057718 591726587 /nfs/dbraw/zinc/72/65/87/591726587.db2.gz HXISFFJEKIMKPG-VIFPVBQESA-N 0 1 349.250 1.265 20 10 EDCDMN CCN(CC)c1ccc(CN2CC[C@@H](CS(N)(=O)=O)C2)cc1F ZINC000897063343 591730580 /nfs/dbraw/zinc/73/05/80/591730580.db2.gz SWRHEUIGRAISKX-CQSZACIVSA-N 0 1 343.468 1.782 20 10 EDCDMN CN1CCN(c2ccc(C[NH2+][C@@H]3C[C@H]4C[C@@]4(C(=O)[O-])C3)cc2)CC1 ZINC000901955320 591877220 /nfs/dbraw/zinc/87/72/20/591877220.db2.gz AOBQLGWNMZHXMS-FRQCXROJSA-N 0 1 329.444 1.781 20 10 EDCDMN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1[nH]ncc1F ZINC000900902747 592166207 /nfs/dbraw/zinc/16/62/07/592166207.db2.gz YFOATQUICGMOBO-UHFFFAOYSA-N 0 1 336.342 1.579 20 10 EDCDMN COC(=O)C1CC2(C1)C[N@@H+](Cc1cccc(C)c1O)C[C@H]2C(=O)[O-] ZINC000903695130 592277327 /nfs/dbraw/zinc/27/73/27/592277327.db2.gz PKHLTFJQGAKUAI-FVRSWCFKSA-N 0 1 333.384 1.786 20 10 EDCDMN O=C([O-])[C@@H]1CCC[N@H+](CC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000911330352 592994649 /nfs/dbraw/zinc/99/46/49/592994649.db2.gz JWHOTVLXISVPIK-SNVBAGLBSA-N 0 1 326.780 1.458 20 10 EDCDMN O=C(CN1CCC(=O)NC1=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807837241 593203234 /nfs/dbraw/zinc/20/32/34/593203234.db2.gz IMVXJKMNEDPPAA-UHFFFAOYSA-N 0 1 346.170 1.257 20 10 EDCDMN CC(=O)Nc1ncc(S(=O)(=O)Nc2ccc(O)cc2F)s1 ZINC000808105520 593319034 /nfs/dbraw/zinc/31/90/34/593319034.db2.gz IERYSHRMWMMZFK-UHFFFAOYSA-N 0 1 331.350 1.747 20 10 EDCDMN CN1C[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)CC1=O ZINC000805183514 593406815 /nfs/dbraw/zinc/40/68/15/593406815.db2.gz HJKNCMMJXRWBNF-VIFPVBQESA-N 0 1 332.187 1.729 20 10 EDCDMN O=C(CN1CCCC1)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000820099455 593791056 /nfs/dbraw/zinc/79/10/56/593791056.db2.gz JUBMSLSTCRPOFE-UHFFFAOYSA-N 0 1 331.460 1.607 20 10 EDCDMN COC(OC)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000821064844 593957605 /nfs/dbraw/zinc/95/76/05/593957605.db2.gz IGQOVJXHLDOJQW-ZDUSSCGKSA-N 0 1 342.823 1.745 20 10 EDCDMN CN1CCN(C(=O)C[NH2+]Cc2ccc(Br)cc2[O-])CC1 ZINC000825160220 594138714 /nfs/dbraw/zinc/13/87/14/594138714.db2.gz PCFMKCSLAYDEFS-UHFFFAOYSA-N 0 1 342.237 1.018 20 10 EDCDMN CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)NC(=O)[O-])cc1 ZINC000828055237 594331920 /nfs/dbraw/zinc/33/19/20/594331920.db2.gz GFQHLDPDPHFZQY-JKSUJKDBSA-N 0 1 348.447 1.662 20 10 EDCDMN COc1cc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)ncn1 ZINC000829296006 594594031 /nfs/dbraw/zinc/59/40/31/594594031.db2.gz DJDZVYOFQVTPQR-UHFFFAOYSA-N 0 1 341.415 1.167 20 10 EDCDMN c1cc(N2CCOCC2)ccc1CN1CCN([C@@H]2CCOC2)CC1 ZINC000827114832 594643457 /nfs/dbraw/zinc/64/34/57/594643457.db2.gz XIZZRHYWEZWAPV-LJQANCHMSA-N 0 1 331.460 1.430 20 10 EDCDMN Cc1cc(O)c(CN2CCC(NS(C)(=O)=O)CC2)c(Cl)c1 ZINC000840910991 594826934 /nfs/dbraw/zinc/82/69/34/594826934.db2.gz ZNUPUSCYRVSSNV-UHFFFAOYSA-N 0 1 332.853 1.868 20 10 EDCDMN O=S(=O)(CC[NH2+]Cc1cc(Br)ccc1[O-])C1CC1 ZINC000840964053 594833308 /nfs/dbraw/zinc/83/33/08/594833308.db2.gz GWUADUWPLAEZSE-UHFFFAOYSA-N 0 1 334.235 1.822 20 10 EDCDMN C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000841988877 594996119 /nfs/dbraw/zinc/99/61/19/594996119.db2.gz NMAIREVCDBHZMI-BXKDBHETSA-N 0 1 342.237 1.952 20 10 EDCDMN O=C([O-])N1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3O)C2)CC1 ZINC000834117013 595019022 /nfs/dbraw/zinc/01/90/22/595019022.db2.gz VSNZVJVJOOBNJF-OAHLLOKOSA-N 0 1 347.415 1.426 20 10 EDCDMN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000842151891 595023996 /nfs/dbraw/zinc/02/39/96/595023996.db2.gz DGNYCPHXHNDZTL-IYBDPMFKSA-N 0 1 344.459 1.030 20 10 EDCDMN O=C1CNCCN1[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000843063519 595277682 /nfs/dbraw/zinc/27/76/82/595277682.db2.gz BVYLQPOKQGBZQY-CYBMUJFWSA-N 0 1 341.814 1.581 20 10 EDCDMN Nc1ccncc1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000844173990 595291776 /nfs/dbraw/zinc/29/17/76/595291776.db2.gz HRHRAXNERRQJCM-UHFFFAOYSA-N 0 1 340.427 1.633 20 10 EDCDMN CON(C)C(=O)[C@@H](C)N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000858586991 595835435 /nfs/dbraw/zinc/83/54/35/595835435.db2.gz MJOWVFITVZSDPI-QWHCGFSZSA-N 0 1 339.411 1.721 20 10 EDCDMN CC(C)OC[C@H](N)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000851630353 595861284 /nfs/dbraw/zinc/86/12/84/595861284.db2.gz KDCRWHIWARTZIF-HNNXBMFYSA-N 0 1 339.411 1.031 20 10 EDCDMN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1COCCN1 ZINC000861682956 596067352 /nfs/dbraw/zinc/06/73/52/596067352.db2.gz ZGXMYNQDIQCDHP-MRXNPFEDSA-N 0 1 334.464 1.661 20 10 EDCDMN C[C@@H](O)CN1CCN(Cc2cc(F)c(N(C)C)cc2F)[C@@H](C)C1 ZINC000862351187 596306415 /nfs/dbraw/zinc/30/64/15/596306415.db2.gz LOQYYAJNZPHMTN-QWHCGFSZSA-N 0 1 327.419 1.918 20 10 EDCDMN CNS(=O)(=O)CCC[NH2+]Cc1cc(Br)ccc1[O-] ZINC000865707895 596656114 /nfs/dbraw/zinc/65/61/14/596656114.db2.gz YKDZYIQFLWDFJT-UHFFFAOYSA-N 0 1 337.239 1.184 20 10 EDCDMN CN(Cc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCCCNC1=O ZINC000123903358 596771951 /nfs/dbraw/zinc/77/19/51/596771951.db2.gz SCFAQLGOQQVXQZ-KRWDZBQOSA-N 0 1 335.423 1.763 20 10 EDCDMN COC(=O)C1=NO[C@]2(CCN(Cc3cc(OC)c(C)cc3O)C2)C1 ZINC000872708008 597039569 /nfs/dbraw/zinc/03/95/69/597039569.db2.gz HJYGYWAIRVAHMO-QGZVFWFLSA-N 0 1 334.372 1.603 20 10 EDCDMN COc1ccc(CNC[C@@H]2CCCS2(=O)=O)cc1Cn1cccn1 ZINC000873079014 597183679 /nfs/dbraw/zinc/18/36/79/597183679.db2.gz AYYNZFDDLCXWOM-INIZCTEOSA-N 0 1 349.456 1.607 20 10 EDCDMN Cc1nn(C)cc1C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000881851291 597754425 /nfs/dbraw/zinc/75/44/25/597754425.db2.gz HSIJSKVJLJAJTR-UHFFFAOYSA-N 0 1 327.432 1.410 20 10 EDCDMN CN1CCN(c2ccc(CNC(=O)c3ccc(Cl)nn3)cc2)CC1 ZINC000881853926 597756010 /nfs/dbraw/zinc/75/60/10/597756010.db2.gz OJJMPPGTOCUKPP-UHFFFAOYSA-N 0 1 345.834 1.812 20 10 EDCDMN Nc1ccc(NC(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)cc1 ZINC000883569884 597806596 /nfs/dbraw/zinc/80/65/96/597806596.db2.gz MSIVPEIEWJLDNZ-KRWDZBQOSA-N 0 1 347.463 1.187 20 10 EDCDMN C[C@H]1CSC[C@@H]1NC(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000883692882 597863980 /nfs/dbraw/zinc/86/39/80/597863980.db2.gz ODGMXEFJSIPFQI-YOEHRIQHSA-N 0 1 348.516 1.989 20 10 EDCDMN C[C@H]1CSC[C@H]1NC(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000883692881 597864020 /nfs/dbraw/zinc/86/40/20/597864020.db2.gz ODGMXEFJSIPFQI-WMLDXEAASA-N 0 1 348.516 1.989 20 10 EDCDMN COC[C@H]1CCN(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000882662113 598015579 /nfs/dbraw/zinc/01/55/79/598015579.db2.gz AKQXZZIGIKPPDD-KRWDZBQOSA-N 0 1 346.475 1.616 20 10 EDCDMN Cc1nnc2c(NCc3ccc(N4CCN(C)CC4)cc3)nccn12 ZINC000882880398 598093651 /nfs/dbraw/zinc/09/36/51/598093651.db2.gz QDZYMGKYPRGCFG-UHFFFAOYSA-N 0 1 337.431 1.797 20 10 EDCDMN CC(=O)N1CCN(Cc2ccc(N3CCOCC3)cc2)C(C)(C)C1 ZINC000184727018 698068579 /nfs/dbraw/zinc/06/85/79/698068579.db2.gz GMLDSXRXIAFRMO-UHFFFAOYSA-N 0 1 331.460 1.966 20 10 EDCDMN COc1cc(C)cc(CN2CCC[C@H](NS(C)(=O)=O)C2)c1O ZINC000164011306 707344825 /nfs/dbraw/zinc/34/48/25/707344825.db2.gz NOQWOMUPGYQFRW-ZDUSSCGKSA-N 0 1 328.434 1.223 20 10 EDCDMN CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@@H](OCCO)C2)cc1 ZINC000112638769 529780064 /nfs/dbraw/zinc/78/00/64/529780064.db2.gz FHGAPGPUPXEJGS-GOSISDBHSA-N 0 1 349.475 1.184 20 10 EDCDMN O=C1COc2cc([N+](=O)[O-])c(N3CCC[C@H](c4nc[nH]n4)C3)cc2N1 ZINC000378218279 447409064 /nfs/dbraw/zinc/40/90/64/447409064.db2.gz OFYNJXPWPMOGGT-VIFPVBQESA-N 0 1 344.331 1.428 20 10 EDCDMN COCCn1c(C)c(C)c2cc(C(=O)NCCc3nc[nH]n3)ccc21 ZINC000266113869 443021932 /nfs/dbraw/zinc/02/19/32/443021932.db2.gz NIQXXSVVCUACTK-UHFFFAOYSA-N 0 1 341.415 1.995 20 10 EDCDMN CCN(CC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)C1CC1 ZINC000269665389 443386236 /nfs/dbraw/zinc/38/62/36/443386236.db2.gz GVXUKFLZKOIZPC-UHFFFAOYSA-N 0 1 349.450 1.887 20 10 EDCDMN CC[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278530361 443355429 /nfs/dbraw/zinc/35/54/29/443355429.db2.gz UUZIIUIQINJMPH-UWVGGRQHSA-N 0 1 325.365 1.702 20 10 EDCDMN CCOc1cccc(CN2CCCC[C@@H]2CNS(C)(=O)=O)c1O ZINC000271073000 443489590 /nfs/dbraw/zinc/48/95/90/443489590.db2.gz MUFRKPVNVFXWTA-CQSZACIVSA-N 0 1 342.461 1.695 20 10 EDCDMN Cc1[nH]ncc1CNC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000299094169 443952474 /nfs/dbraw/zinc/95/24/74/443952474.db2.gz HVZCLNSWWAWCCM-UHFFFAOYSA-N 0 1 329.404 1.554 20 10 EDCDMN CN1CCC[C@H]1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000299532982 444072568 /nfs/dbraw/zinc/07/25/68/444072568.db2.gz NOWMGCJGYJQPMP-KRWDZBQOSA-N 0 1 335.423 1.497 20 10 EDCDMN CC(C)NC(=O)CN1CCN(Cc2cc(Cl)c(F)cc2O)CC1 ZINC000294938818 444161127 /nfs/dbraw/zinc/16/11/27/444161127.db2.gz PGYMEYMHKUPSKK-UHFFFAOYSA-N 0 1 343.830 1.827 20 10 EDCDMN COCCOC[C@H](O)C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000294956560 444161860 /nfs/dbraw/zinc/16/18/60/444161860.db2.gz MZYUFZIBODNZSO-IAGOWNOFSA-N 0 1 339.432 1.397 20 10 EDCDMN CCN1CCCN(C(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000297934331 444362224 /nfs/dbraw/zinc/36/22/24/444362224.db2.gz CWMBVWSZGIAYJK-UHFFFAOYSA-N 0 1 346.475 1.265 20 10 EDCDMN O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1CCCc2[nH]cnc21 ZINC000370534038 446321581 /nfs/dbraw/zinc/32/15/81/446321581.db2.gz QQXMNQGMPPGEAM-MRXNPFEDSA-N 0 1 340.427 1.983 20 10 EDCDMN COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H]3COCCN3)ccc21 ZINC000638614570 451607234 /nfs/dbraw/zinc/60/72/34/451607234.db2.gz UQJBKUGDEWGKKK-MRXNPFEDSA-N 0 1 345.443 1.623 20 10 EDCDMN CCN1CCN(c2ccc(CNC(=O)c3cc(C)n[nH]3)cc2F)CC1 ZINC000106829771 529153047 /nfs/dbraw/zinc/15/30/47/529153047.db2.gz ZHIFNGGEVWKBNZ-UHFFFAOYSA-N 0 1 345.422 1.929 20 10 EDCDMN CN(C)c1ccc(CNC(=O)CN2CCC[C@H]2Cn2cncn2)cc1 ZINC000729928995 578604071 /nfs/dbraw/zinc/60/40/71/578604071.db2.gz UIMJWSAMBGIIOE-KRWDZBQOSA-N 0 1 342.447 1.125 20 10 EDCDMN CNS(=O)(=O)[C@H]1CCC[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000733298591 578758419 /nfs/dbraw/zinc/75/84/19/578758419.db2.gz WXEXVUJPPLUILW-ZDUSSCGKSA-N 0 1 335.429 1.454 20 10 EDCDMN CNS(=O)(=O)[C@H]1CCC[N@@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000733298591 578758420 /nfs/dbraw/zinc/75/84/20/578758420.db2.gz WXEXVUJPPLUILW-ZDUSSCGKSA-N 0 1 335.429 1.454 20 10 EDCDMN CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@@H](CCO)C1)cc2=O ZINC000735871828 578931015 /nfs/dbraw/zinc/93/10/15/578931015.db2.gz XRZACLVVTIGDGB-LBPRGKRZSA-N 0 1 348.403 1.206 20 10 EDCDMN COc1cc(Br)cc(CN(C)[C@@H]2CCN(C)C2=O)c1O ZINC000769464430 580237690 /nfs/dbraw/zinc/23/76/90/580237690.db2.gz XFUKCMJTVAIWOO-LLVKDONJSA-N 0 1 343.221 1.826 20 10 EDCDMN CN(C)c1ccc(CNC(=O)N2CCN(CCO)C(C)(C)C2)cc1 ZINC000780672852 580530936 /nfs/dbraw/zinc/53/09/36/580530936.db2.gz HPUSHDLQDZDDCG-UHFFFAOYSA-N 0 1 334.464 1.351 20 10 EDCDMN COCCN1CCCN(Cc2c(O)ccc3ccncc32)CC1=O ZINC000787245651 580690510 /nfs/dbraw/zinc/69/05/10/580690510.db2.gz JYPJDEQZLOGIMY-UHFFFAOYSA-N 0 1 329.400 1.621 20 10 EDCDMN COCC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])[C@H]1CCOC1 ZINC000787334390 580693376 /nfs/dbraw/zinc/69/33/76/580693376.db2.gz LBPGRUCZOKRCAS-LBPRGKRZSA-N 0 1 326.349 1.546 20 10 EDCDMN COCC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])[C@H]1CCOC1 ZINC000787334390 580693377 /nfs/dbraw/zinc/69/33/77/580693377.db2.gz LBPGRUCZOKRCAS-LBPRGKRZSA-N 0 1 326.349 1.546 20 10 EDCDMN CN(CCN1CCCS1(=O)=O)Cc1c(O)ccc(Cl)c1F ZINC000792168300 580812174 /nfs/dbraw/zinc/81/21/74/580812174.db2.gz CCYIUMXETISIQC-UHFFFAOYSA-N 0 1 336.816 1.652 20 10 EDCDMN CS(=O)(=O)NC1CC([NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC000800891304 581061038 /nfs/dbraw/zinc/06/10/38/581061038.db2.gz JHDKDXKDWCVJKK-UHFFFAOYSA-N 0 1 349.250 1.325 20 10 EDCDMN CN1CCN(c2ccc(CNC(=O)C3CCC(=O)CC3)cc2)CC1 ZINC000893608248 591006030 /nfs/dbraw/zinc/00/60/30/591006030.db2.gz UGGIUNSPZOWEEA-UHFFFAOYSA-N 0 1 329.444 1.814 20 10 EDCDMN CN(C)c1ccc([C@H](CNC(=O)[C@H]2[C@@H]3C(=O)CC[C@H]23)N(C)C)cc1 ZINC000891244359 591014417 /nfs/dbraw/zinc/01/44/17/591014417.db2.gz ZTIIVXOPQGNBIK-UOVPBQLFSA-N 0 1 329.444 1.697 20 10 EDCDMN CN(C)c1ccc([C@H](CNC(=O)c2cc(C=O)cn2C)N(C)C)cc1 ZINC000891250244 591019719 /nfs/dbraw/zinc/01/97/19/591019719.db2.gz VSXZOSPIUDPCTF-SFHVURJKSA-N 0 1 342.443 1.936 20 10 EDCDMN CCc1nc(CN2CCN(Cc3cc(F)cc(F)c3O)CC2)no1 ZINC000894016329 591171859 /nfs/dbraw/zinc/17/18/59/591171859.db2.gz BJMALVZOSYEEQN-UHFFFAOYSA-N 0 1 338.358 1.934 20 10 EDCDMN O=C1CC2(CCC2)N(Cc2ccc(N3CCC(O)CC3)cc2)CCN1 ZINC000895927708 591305383 /nfs/dbraw/zinc/30/53/83/591305383.db2.gz WNYODJITHQUKOO-UHFFFAOYSA-N 0 1 343.471 1.892 20 10 EDCDMN [O-]c1c(F)cc(Br)cc1C[N@H+]1CC[C@H](O)[C@H](CO)C1 ZINC000895014856 591523367 /nfs/dbraw/zinc/52/33/67/591523367.db2.gz PHZFQHMSXKNOID-CABZTGNLSA-N 0 1 334.185 1.469 20 10 EDCDMN COC[C@H]1C[C@@H](O)C[N@H+]1Cc1cc(Br)cc(F)c1[O-] ZINC000895137545 591612238 /nfs/dbraw/zinc/61/22/38/591612238.db2.gz NBMAFLXMLKYPNT-GHMZBOCLSA-N 0 1 334.185 1.875 20 10 EDCDMN CCN(CC)c1ccc(CN2CC[C@H](CS(N)(=O)=O)C2)cc1F ZINC000897063044 591730344 /nfs/dbraw/zinc/73/03/44/591730344.db2.gz SWRHEUIGRAISKX-AWEZNQCLSA-N 0 1 343.468 1.782 20 10 EDCDMN Cn1nnc2c1C[C@@H]([NH2+]Cc1ccc(Br)cc1[O-])CC2 ZINC000897347972 591877345 /nfs/dbraw/zinc/87/73/45/591877345.db2.gz YMEPDXIWTWJLAO-NSHDSACASA-N 0 1 337.221 1.930 20 10 EDCDMN CCOC(=O)N1C[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])[C@@H](CO)C1 ZINC000898358780 591889762 /nfs/dbraw/zinc/88/97/62/591889762.db2.gz ITKOJPDAQSGLRL-YPMHNXCESA-N 0 1 328.796 1.584 20 10 EDCDMN C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000908211879 592387690 /nfs/dbraw/zinc/38/76/90/592387690.db2.gz LZYJPCCTGYIFKM-IINYFYTJSA-N 0 1 333.215 1.770 20 10 EDCDMN CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCc1ccc(N(C)C)cc1C ZINC000807099946 593144454 /nfs/dbraw/zinc/14/44/54/593144454.db2.gz HZHJOAJCBINDJR-QGZVFWFLSA-N 0 1 346.475 1.278 20 10 EDCDMN C[N@@H+](Cc1ccc2ccccc2c1[O-])C[C@@H](O)CN1CCOCC1 ZINC000816514308 593528856 /nfs/dbraw/zinc/52/88/56/593528856.db2.gz STTBNTSHWFVEGR-QGZVFWFLSA-N 0 1 330.428 1.670 20 10 EDCDMN C[N@H+](Cc1ccc2ccccc2c1[O-])C[C@@H](O)CN1CCOCC1 ZINC000816514308 593528858 /nfs/dbraw/zinc/52/88/58/593528858.db2.gz STTBNTSHWFVEGR-QGZVFWFLSA-N 0 1 330.428 1.670 20 10 EDCDMN O[C@@]1(C(F)F)CCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000824726860 594062709 /nfs/dbraw/zinc/06/27/09/594062709.db2.gz XKRSCXGTJHIBNL-INIZCTEOSA-N 0 1 330.350 1.864 20 10 EDCDMN COC[C@]1(CO)CC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000825158066 594138350 /nfs/dbraw/zinc/13/83/50/594138350.db2.gz COZCDVDKLHIXRB-CQSZACIVSA-N 0 1 330.768 1.785 20 10 EDCDMN O=C1NN(c2ccccc2)C(=O)C1=Cc1cc(-c2nn[nH]n2)cs1 ZINC000823547630 594215980 /nfs/dbraw/zinc/21/59/80/594215980.db2.gz LSWDJNXLEVDPKH-KPKJPENVSA-N 0 1 338.352 1.390 20 10 EDCDMN CC(C)OC[C@H](C(=O)[O-])[N@H+](C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000833505072 594861244 /nfs/dbraw/zinc/86/12/44/594861244.db2.gz GYPRLCXFDVAHCC-GOSISDBHSA-N 0 1 349.475 1.748 20 10 EDCDMN CC(C)OC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000833505072 594861247 /nfs/dbraw/zinc/86/12/47/594861247.db2.gz GYPRLCXFDVAHCC-GOSISDBHSA-N 0 1 349.475 1.748 20 10 EDCDMN C[C@H](NC(=O)[O-])[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC000833820885 594939314 /nfs/dbraw/zinc/93/93/14/594939314.db2.gz VESZIJFQRZDXPZ-WMLDXEAASA-N 0 1 349.431 1.380 20 10 EDCDMN C[C@H](NC(=O)[O-])[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC000833820885 594939316 /nfs/dbraw/zinc/93/93/16/594939316.db2.gz VESZIJFQRZDXPZ-WMLDXEAASA-N 0 1 349.431 1.380 20 10 EDCDMN CCN1CCN(CC(C)(C)NC(=O)NCCc2ccc(N)cc2)CC1 ZINC000841955485 594989089 /nfs/dbraw/zinc/98/90/89/594989089.db2.gz DSUOWCICYIPRDW-UHFFFAOYSA-N 0 1 347.507 1.527 20 10 EDCDMN O=C([O-])c1cnn2c1[nH]c(C[N@H+]1CCC[C@@]3(CCCOC3)C1)cc2=O ZINC000846249573 595186455 /nfs/dbraw/zinc/18/64/55/595186455.db2.gz HPMKFDIVZGCUQF-QGZVFWFLSA-N 0 1 346.387 1.526 20 10 EDCDMN O=C([O-])c1cnn2c1[nH]c(C[N@H+]1CCC[C@@H]1C1CCOCC1)cc2=O ZINC000846260363 595189579 /nfs/dbraw/zinc/18/95/79/595189579.db2.gz ZFAJXGYDBNJVBX-CQSZACIVSA-N 0 1 346.387 1.524 20 10 EDCDMN O=C([C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1)N1CCNCC1 ZINC000843047599 595272573 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CO[C@]1(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])CCS(=O)(=O)C1 ZINC000903362306 592158405 /nfs/dbraw/zinc/15/84/05/592158405.db2.gz DFWGUEPGWKESOR-HZMBPMFUSA-N 0 1 333.837 1.900 20 10 EDCDMN CN(C)c1ccc([C@H]([NH3+])CN[C@@H]2CCCC[C@H]2S(C)(=O)=O)cc1 ZINC000817941881 593650749 /nfs/dbraw/zinc/65/07/49/593650749.db2.gz LMVIFDQTNGSQNR-BRWVUGGUSA-N 0 1 339.505 1.698 20 10 EDCDMN COc1ccc(N2CC[C@H](CNC(=O)N(C)Cc3nnc[nH]3)C2)cc1 ZINC000823733493 593844603 /nfs/dbraw/zinc/84/46/03/593844603.db2.gz ONYWOPJESUVOQP-CYBMUJFWSA-N 0 1 344.419 1.481 20 10 EDCDMN O[C@]1(C(F)F)CCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000824726862 594062715 /nfs/dbraw/zinc/06/27/15/594062715.db2.gz XKRSCXGTJHIBNL-MRXNPFEDSA-N 0 1 330.350 1.864 20 10 EDCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@@H](O)C1CC1 ZINC000830544354 594418685 /nfs/dbraw/zinc/41/86/85/594418685.db2.gz ORUWPENWZQHNEQ-ZBFHGGJFSA-N 0 1 338.835 1.897 20 10 EDCDMN COc1cc(O)c(C[N@@H+](CCC(=O)[O-])C2CCOCC2)cc1OC ZINC000833728862 594917361 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COc1ccc(N2CCN(CCCNC(=O)c3ncc[nH]3)CC2)cc1 ZINC000854310495 596031901 /nfs/dbraw/zinc/03/19/01/596031901.db2.gz TWPOQHIIWGHWNA-UHFFFAOYSA-N 0 1 343.431 1.360 20 10 EDCDMN O=C(CC[C@H]1NC(=O)NC1=O)NCc1cc(Cl)cc(Cl)c1O ZINC000854476021 596092570 /nfs/dbraw/zinc/09/25/70/596092570.db2.gz ZMSVHHMXJFZNCA-SECBINFHSA-N 0 1 346.170 1.303 20 10 EDCDMN C[C@@H]1COCCN1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000854570626 596123200 /nfs/dbraw/zinc/12/32/00/596123200.db2.gz RHGZICHFLQZWAX-LYKUJDHUSA-N 0 1 346.427 1.823 20 10 EDCDMN CC(C)CN1CCO[C@@H](CNC(=O)CN(C)c2ccc(N)cc2)C1 ZINC000863558475 596618129 /nfs/dbraw/zinc/61/81/29/596618129.db2.gz KGYZJQBJBWJYOG-KRWDZBQOSA-N 0 1 334.464 1.178 20 10 EDCDMN COCCCN(Cc1c(C)cccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000876546917 597235042 /nfs/dbraw/zinc/23/50/42/597235042.db2.gz AANJIWAZXNPNNY-CQSZACIVSA-N 0 1 327.446 1.726 20 10 EDCDMN COCc1nc([C@H]2COCCN2Cc2ccc(F)c(F)c2O)no1 ZINC000877173406 597451836 /nfs/dbraw/zinc/45/18/36/597451836.db2.gz CVNDICFWOBYARP-LLVKDONJSA-N 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/nfs/dbraw/zinc/97/67/90/601976790.db2.gz AODZQGDZJAJJQD-MRXNPFEDSA-N 0 1 348.447 1.443 20 10 EDCDMN CN(C)c1ccc(CNC(=O)C[N@H+]2CCC[C@@H](N(C)C(=O)[O-])C2)cc1 ZINC000739616340 601976792 /nfs/dbraw/zinc/97/67/92/601976792.db2.gz AODZQGDZJAJJQD-MRXNPFEDSA-N 0 1 348.447 1.443 20 10 EDCDMN COC(=O)[C@@H]1CCN(Cc2cccc(Cl)c2O)[C@@H](C(=O)OC)C1 ZINC000272536162 284063207 /nfs/dbraw/zinc/06/32/07/284063207.db2.gz NZGDJVUNOBZNCK-ZWNOBZJWSA-N 0 1 341.791 1.972 20 10 EDCDMN COc1ccc(N2CCN(C(=O)[C@@H]3C[C@@H]3c3nc[nH]n3)CC2)cc1F ZINC000361035824 250169021 /nfs/dbraw/zinc/16/90/21/250169021.db2.gz PIMLVJSDETZJDJ-QWHCGFSZSA-N 0 1 345.378 1.405 20 10 EDCDMN O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1C[C@H]1c1nc[nH]n1 ZINC000374894768 250275975 /nfs/dbraw/zinc/27/59/75/250275975.db2.gz ISYMMXSPHIDALN-CHWSQXEVSA-N 0 1 345.378 1.200 20 10 EDCDMN C[C@@H](NCC(=O)NCC1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000181297354 442689246 /nfs/dbraw/zinc/68/92/46/442689246.db2.gz GOXXDBGBZHPBAO-CYBMUJFWSA-N 0 1 335.423 1.839 20 10 EDCDMN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cnccc1N ZINC000188040965 442704734 /nfs/dbraw/zinc/70/47/34/442704734.db2.gz WVXJSYBLWYWEMU-UHFFFAOYSA-N 0 1 326.400 1.773 20 10 EDCDMN O=C(NCCN1CCCOCC1)NCc1ccc(N2CC=CC2)cc1 ZINC000187202788 442660238 /nfs/dbraw/zinc/66/02/38/442660238.db2.gz YYWNKUQHMPRMHV-UHFFFAOYSA-N 0 1 344.459 1.584 20 10 EDCDMN CNC(=O)CN1CCC([NH2+][C@H](C)c2cc(Cl)ccc2[O-])CC1 ZINC000184994792 443114366 /nfs/dbraw/zinc/11/43/66/443114366.db2.gz URBLBMKANFUVHA-LLVKDONJSA-N 0 1 325.840 1.907 20 10 EDCDMN CCNS(=O)(=O)[C@H]1CCN(Cc2c(O)ccc(Cl)c2F)C1 ZINC000191466653 443298637 /nfs/dbraw/zinc/29/86/37/443298637.db2.gz BQCHRYRVMCDGRB-VIFPVBQESA-N 0 1 336.816 1.698 20 10 EDCDMN OC[C@]1(NCc2cc3c(cc2O)OCO3)CCOc2ccccc21 ZINC000282528874 443365569 /nfs/dbraw/zinc/36/55/69/443365569.db2.gz YWMCKXGGTZRAPY-GOSISDBHSA-N 0 1 329.352 1.881 20 10 EDCDMN C[C@H](C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])CN1CCN(C)CC1 ZINC000273579548 443582679 /nfs/dbraw/zinc/58/26/79/443582679.db2.gz 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CN1CCN(Cc2ccc(C(=O)NCc3ccc(N)cc3)cc2)CC1 ZINC000297220636 444277995 /nfs/dbraw/zinc/27/79/95/444277995.db2.gz OBKBSXCXXPCCPS-UHFFFAOYSA-N 0 1 338.455 1.946 20 10 EDCDMN O=C([C@@H]1C[C@@H]1c1nc[nH]n1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000364873775 445964050 /nfs/dbraw/zinc/96/40/50/445964050.db2.gz STOWDGLMDKZPBR-SOUVJXGZSA-N 0 1 342.399 1.822 20 10 EDCDMN O=C1NC[C@H]2C[N@@H+](Cc3cc(Br)ccc3O)CC[C@@H]12 ZINC000365661702 446291159 /nfs/dbraw/zinc/29/11/59/446291159.db2.gz RGHPFWYWVIRLMJ-CMPLNLGQSA-N 0 1 325.206 1.723 20 10 EDCDMN O=C1NC[C@H]2C[N@H+](Cc3cc(Br)ccc3[O-])CC[C@@H]12 ZINC000365661702 446291166 /nfs/dbraw/zinc/29/11/66/446291166.db2.gz RGHPFWYWVIRLMJ-CMPLNLGQSA-N 0 1 325.206 1.723 20 10 EDCDMN COc1ccc2c(c1)c1c(n2CC(=O)NCc2nn[nH]n2)CCCC1 ZINC000651307297 453453213 /nfs/dbraw/zinc/45/32/13/453453213.db2.gz SOZRHTOLLCASHZ-UHFFFAOYSA-N 0 1 340.387 1.358 20 10 EDCDMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1cnc(N2CCCC2)nc1 ZINC000728699355 578550681 /nfs/dbraw/zinc/55/06/81/578550681.db2.gz SJDALKGPBGSTDF-GDNBJRDFSA-N 0 1 335.367 1.538 20 10 EDCDMN CC(C)(CS(C)(=O)=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000762787202 580083174 /nfs/dbraw/zinc/08/31/74/580083174.db2.gz OCZLYFVLAYLGGR-UHFFFAOYSA-N 0 1 344.452 1.575 20 10 EDCDMN CCOc1ccc(O)c(CN(C)CCN2CCCS2(=O)=O)c1 ZINC000769557351 580240030 /nfs/dbraw/zinc/24/00/30/580240030.db2.gz NTRPQLNILLSHPM-UHFFFAOYSA-N 0 1 328.434 1.258 20 10 EDCDMN CCN(C)c1ccc(CN2CCC[C@H]2CS(=O)(=O)NC)cc1 ZINC000773786964 580346115 /nfs/dbraw/zinc/34/61/15/580346115.db2.gz NTZBSNBIHDHHMA-INIZCTEOSA-N 0 1 325.478 1.656 20 10 EDCDMN Cc1ccc(C(=O)N2CCCN(C[C@H]3CCCO3)CC2)c(O)c1O ZINC000780915267 580537410 /nfs/dbraw/zinc/53/74/10/580537410.db2.gz LKGRSONJNJOWLA-CQSZACIVSA-N 0 1 334.416 1.733 20 10 EDCDMN COc1cc(NS(=O)(=O)c2cc(Cl)cnc2N)ccc1O ZINC000797820467 580981758 /nfs/dbraw/zinc/98/17/58/580981758.db2.gz ZBKCSTHWAPZVNG-UHFFFAOYSA-N 0 1 329.765 1.832 20 10 EDCDMN Cc1ccncc1N1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000799153530 581019553 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347.253 1.185 20 10 EDCDMN C[C@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)N1CCN(C)CC1 ZINC000896427870 591463985 /nfs/dbraw/zinc/46/39/85/591463985.db2.gz MKEJYGMGQBZJJC-LLVKDONJSA-N 0 1 349.456 1.678 20 10 EDCDMN CC[N@H+]1CC[C@H]1CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000896457141 591472901 /nfs/dbraw/zinc/47/29/01/591472901.db2.gz ABVOTEDLUIZFNJ-ZWKOTPCHSA-N 0 1 347.507 1.749 20 10 EDCDMN Oc1cc2c(cc1C[N@H+]1CCc3nc[nH]c3C13CCOCC3)OCO2 ZINC000895071046 591566005 /nfs/dbraw/zinc/56/60/05/591566005.db2.gz JROOPVDHXHJSEL-UHFFFAOYSA-N 0 1 343.383 1.908 20 10 EDCDMN Oc1cc2c(cc1CN1CCc3nc[nH]c3C13CCOCC3)OCO2 ZINC000895071046 591566010 /nfs/dbraw/zinc/56/60/10/591566010.db2.gz JROOPVDHXHJSEL-UHFFFAOYSA-N 0 1 343.383 1.908 20 10 EDCDMN COc1ccc(CN[C@@H]2C(=O)NCC2(C)C)cc1Cn1cccn1 ZINC000895325466 591713812 /nfs/dbraw/zinc/71/38/12/591713812.db2.gz QRRYGJNYBBMNRU-MRXNPFEDSA-N 0 1 328.416 1.554 20 10 EDCDMN C[NH+]1CCN(c2ccc(CN3CCOC[C@H]3CC(=O)[O-])cc2)CC1 ZINC000902002002 591890742 /nfs/dbraw/zinc/89/07/42/591890742.db2.gz LMBSHQFKFRYHQF-QGZVFWFLSA-N 0 1 333.432 1.114 20 10 EDCDMN C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000908211880 592387828 /nfs/dbraw/zinc/38/78/28/592387828.db2.gz LZYJPCCTGYIFKM-QMTHXVAHSA-N 0 1 333.215 1.770 20 10 EDCDMN COC[C@H](C)NC(=S)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000905529086 592562905 /nfs/dbraw/zinc/56/29/05/592562905.db2.gz IOBQAFZVCCYBCQ-AWEZNQCLSA-N 0 1 336.505 1.437 20 10 EDCDMN Cn1nncc1CNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807612656 593184934 /nfs/dbraw/zinc/18/49/34/593184934.db2.gz RNEVOEZDJFZOFL-UHFFFAOYSA-N 0 1 330.175 1.827 20 10 EDCDMN Oc1cc2c(cc1CN1CCN(c3ccnc(F)c3)CC1)[C@H](O)CO2 ZINC000840117866 593201357 /nfs/dbraw/zinc/20/13/57/593201357.db2.gz AEDLKBHHOHJTTE-MRXNPFEDSA-N 0 1 345.374 1.674 20 10 EDCDMN Cc1n[nH]c([C@@H]2CCN(CC(=O)NCc3ccc(N(C)C)cc3)C2)n1 ZINC000839659242 593358870 /nfs/dbraw/zinc/35/88/70/593358870.db2.gz JQUYUJGPKMQIIN-OAHLLOKOSA-N 0 1 342.447 1.285 20 10 EDCDMN Cc1nnc([C@@H]2CCN(CC(=O)NCc3ccc(N(C)C)cc3)C2)[nH]1 ZINC000839659242 593358873 /nfs/dbraw/zinc/35/88/73/593358873.db2.gz JQUYUJGPKMQIIN-OAHLLOKOSA-N 0 1 342.447 1.285 20 10 EDCDMN Cc1n[nH]c([C@H]2CCN(CC(=O)NCc3ccc(N(C)C)cc3)C2)n1 ZINC000839659241 593359155 /nfs/dbraw/zinc/35/91/55/593359155.db2.gz JQUYUJGPKMQIIN-HNNXBMFYSA-N 0 1 342.447 1.285 20 10 EDCDMN Cc1nnc([C@H]2CCN(CC(=O)NCc3ccc(N(C)C)cc3)C2)[nH]1 ZINC000839659241 593359157 /nfs/dbraw/zinc/35/91/57/593359157.db2.gz JQUYUJGPKMQIIN-HNNXBMFYSA-N 0 1 342.447 1.285 20 10 EDCDMN CCN(CC)c1ccc(CN(C)[C@@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC000814171134 593577556 /nfs/dbraw/zinc/57/75/56/593577556.db2.gz HSBOFSSSQYBLQI-QGZVFWFLSA-N 0 1 339.505 1.999 20 10 EDCDMN COc1ccc(N2CCN(C(=O)CN3C[C@@H](O)CC[C@@H]3C)CC2)cc1 ZINC000817286659 593588971 /nfs/dbraw/zinc/58/89/71/593588971.db2.gz XDXFHMIGMPJJEX-RDJZCZTQSA-N 0 1 347.459 1.189 20 10 EDCDMN COc1ccc(N2CC[C@@H](CNC(=O)C[C@@H]3COCCN3)C2)cc1 ZINC000818613193 593707951 /nfs/dbraw/zinc/70/79/51/593707951.db2.gz ISJJXWHIGUBIPB-LSDHHAIUSA-N 0 1 333.432 1.016 20 10 EDCDMN C[C@@H](CNCc1ccc(N2CCC(O)CC2)c(F)c1)S(C)(=O)=O ZINC000819122208 593740118 /nfs/dbraw/zinc/74/01/18/593740118.db2.gz SQVZUBQFCNTCBZ-LBPRGKRZSA-N 0 1 344.452 1.310 20 10 EDCDMN COc1ccc(N2CCN(C[C@H](O)CNOCC(C)C)CC2)cc1 ZINC000819183597 593743279 /nfs/dbraw/zinc/74/32/79/593743279.db2.gz GZWBFPSSCLKXGZ-QGZVFWFLSA-N 0 1 337.464 1.355 20 10 EDCDMN C[C@H](NC(=O)C1=NC(=O)N(C)C1)c1ccc(N2CCOCC2)cc1 ZINC000823835429 593869371 /nfs/dbraw/zinc/86/93/71/593869371.db2.gz YYXDGBMICPHNQO-LBPRGKRZSA-N 0 1 330.388 1.453 20 10 EDCDMN COCCN1CCN(Cc2ccc(Br)cc2O)CC1 ZINC000824542512 594035688 /nfs/dbraw/zinc/03/56/88/594035688.db2.gz VETCDXNBRQNPSN-UHFFFAOYSA-N 0 1 329.238 1.919 20 10 EDCDMN CCOc1ccc(N2CCN(Cc3cccc(OC)c3O)CC2)nn1 ZINC000827793444 594278627 /nfs/dbraw/zinc/27/86/27/594278627.db2.gz PMWFTCPVOGZFMH-UHFFFAOYSA-N 0 1 344.415 1.912 20 10 EDCDMN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H]1CCCN1C ZINC000828519112 594444065 /nfs/dbraw/zinc/44/40/65/594444065.db2.gz FXWNKZYTOQWJHJ-CYBMUJFWSA-N 0 1 340.807 1.641 20 10 EDCDMN COc1ccc(N2CC[C@H](COC(=O)CCc3nc[nH]n3)C2)cc1 ZINC000842879958 595223720 /nfs/dbraw/zinc/22/37/20/595223720.db2.gz UIKUNAMRBQRZFE-ZDUSSCGKSA-N 0 1 330.388 1.816 20 10 EDCDMN CN(C)c1ccc(/C=C/CN[C@H]2CCN(c3cnn(C)c3)C2=O)cc1 ZINC000835041669 595252352 /nfs/dbraw/zinc/25/23/52/595252352.db2.gz ZFGHNRBMJCNIIT-WRFKIARRSA-N 0 1 339.443 1.894 20 10 EDCDMN CN(Cc1nc(C(C)(C)N)no1)Cc1ccc(N2CCOCC2)cc1 ZINC000844220275 595305515 /nfs/dbraw/zinc/30/55/15/595305515.db2.gz CAOYCWBWCCJIKI-UHFFFAOYSA-N 0 1 345.447 1.732 20 10 EDCDMN COc1ccc(N2CC[C@@H](NC(=O)[C@H](C)CN3CCOCC3)C2)cc1 ZINC000855234152 595638435 /nfs/dbraw/zinc/63/84/35/595638435.db2.gz TXOPVGCBVUYCPA-HZPDHXFCSA-N 0 1 347.459 1.358 20 10 EDCDMN COc1ccc(N2CCN(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000851714747 595894345 /nfs/dbraw/zinc/89/43/45/595894345.db2.gz VLXZEWDJIACVTP-CALCHBBNSA-N 0 1 333.476 1.926 20 10 EDCDMN COc1ccc(N2CCN(CCN3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000851714749 595894421 /nfs/dbraw/zinc/89/44/21/595894421.db2.gz VLXZEWDJIACVTP-IRXDYDNUSA-N 0 1 333.476 1.926 20 10 EDCDMN CC(C)[C@H]1CNCCN1C(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000861766166 596095214 /nfs/dbraw/zinc/09/52/14/596095214.db2.gz CIRXLONJYUJDSW-WMLDXEAASA-N 0 1 346.475 1.386 20 10 EDCDMN CN(C)c1ccc(CNC(=O)CN2CCC[C@@](O)(C3CC3)C2)cc1 ZINC000852502466 596184204 /nfs/dbraw/zinc/18/42/04/596184204.db2.gz HPNPKDWNRMIWBR-IBGZPJMESA-N 0 1 331.460 1.606 20 10 EDCDMN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)Cc2ncn[nH]2)cc1 ZINC000865060721 596459737 /nfs/dbraw/zinc/45/97/37/596459737.db2.gz SLJWGHXSLNPPHE-MRXNPFEDSA-N 0 1 343.431 1.621 20 10 EDCDMN CCN(CC)c1ccc(CNC(=O)NCCN2CC[C@H](O)C2)cc1 ZINC000875120779 597290018 /nfs/dbraw/zinc/29/00/18/597290018.db2.gz DAONTUCXEDLZFG-KRWDZBQOSA-N 0 1 334.464 1.399 20 10 EDCDMN CCCN(CC(=O)NCC(=O)N1CCCC1)Cc1ccccc1O ZINC000130730161 597617174 /nfs/dbraw/zinc/61/71/74/597617174.db2.gz ZJWONLUZNWWTES-UHFFFAOYSA-N 0 1 333.432 1.343 20 10 EDCDMN CN1CCN(c2ccc(CNC(=O)NCC3CCOCC3)cc2)CC1 ZINC000883252912 597694701 /nfs/dbraw/zinc/69/47/01/597694701.db2.gz DBEFZPSWDIEZDL-UHFFFAOYSA-N 0 1 346.475 1.664 20 10 EDCDMN COc1ccnc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)c1 ZINC000881850739 597753776 /nfs/dbraw/zinc/75/37/76/597753776.db2.gz FCTBQPQHLGJSRJ-UHFFFAOYSA-N 0 1 340.427 1.772 20 10 EDCDMN C[C@H]1COCC[C@H]1C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000881854028 597755673 /nfs/dbraw/zinc/75/56/73/597755673.db2.gz SGONKXZCFTZOBW-MAUKXSAKSA-N 0 1 331.460 1.727 20 10 EDCDMN COc1ccc(N2CCN(CCc3cnn(C)c3)CC2)c(OC)c1 ZINC000879461661 597923949 /nfs/dbraw/zinc/92/39/49/597923949.db2.gz FDVYOSHKGLDIKI-UHFFFAOYSA-N 0 1 330.432 1.802 20 10 EDCDMN C[C@@H](NC(=O)NC[C@H]1CCN1C)c1ccc(N2CCOCC2)cc1 ZINC000914400222 695388474 /nfs/dbraw/zinc/38/84/74/695388474.db2.gz FQNCTCWCHCBFMK-RHSMWYFYSA-N 0 1 332.448 1.588 20 10 EDCDMN CC(C)N(CC(=O)N[C@@H](C)C(=O)N(C)C)Cc1ccc(N(C)C)cc1 ZINC000917077672 696913626 /nfs/dbraw/zinc/91/36/26/696913626.db2.gz XXTWRDUYGBMMMC-HNNXBMFYSA-N 0 1 348.491 1.556 20 10 EDCDMN COC(=O)CC1CCN(CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000918741678 697205074 /nfs/dbraw/zinc/20/50/74/697205074.db2.gz LUPYHLXDARQHQU-UHFFFAOYSA-N 0 1 347.459 1.644 20 10 EDCDMN Cn1nc2c(c1CNCc1ccc(N3CCOCC3)cc1)COCC2 ZINC000921582941 703626204 /nfs/dbraw/zinc/62/62/04/703626204.db2.gz RYNTWDOOSYFCQY-UHFFFAOYSA-N 0 1 342.443 1.619 20 10 EDCDMN O=C1COc2cc([N+](=O)[O-])c(N3CCC[C@@H](c4nc[nH]n4)C3)cc2N1 ZINC000378218278 296341075 /nfs/dbraw/zinc/34/10/75/296341075.db2.gz OFYNJXPWPMOGGT-SECBINFHSA-N 0 1 344.331 1.428 20 10 EDCDMN Cc1ccc(C(=O)N2CCC(N3CCO[C@@H](C)C3)CC2)c(O)c1O ZINC000177676605 442369556 /nfs/dbraw/zinc/36/95/56/442369556.db2.gz SWUQIQMYHUWLFD-ZDUSSCGKSA-N 0 1 334.416 1.732 20 10 EDCDMN C[C@@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1cc(Cl)ccc1[O-] ZINC000186166428 442476730 /nfs/dbraw/zinc/47/67/30/442476730.db2.gz QYUJISZVVPMQKE-MNOVXSKESA-N 0 1 332.853 1.978 20 10 EDCDMN C[C@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1cc(Cl)ccc1[O-] ZINC000186166446 442476972 /nfs/dbraw/zinc/47/69/72/442476972.db2.gz QYUJISZVVPMQKE-WDEREUQCSA-N 0 1 332.853 1.978 20 10 EDCDMN CCOC(=O)[C@H]1CCCN(C(=O)CN(C)Cc2cccc(C)c2O)C1 ZINC000180012568 442528782 /nfs/dbraw/zinc/52/87/82/442528782.db2.gz ZMPGTXCAYLNKSU-INIZCTEOSA-N 0 1 348.443 1.934 20 10 EDCDMN CCNS(=O)(=O)[C@H]1CCN(Cc2cc(Cl)cc(C)c2O)C1 ZINC000181557907 442703539 /nfs/dbraw/zinc/70/35/39/442703539.db2.gz PNPJKPFYXHMDDX-ZDUSSCGKSA-N 0 1 332.853 1.868 20 10 EDCDMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000187203427 442660572 /nfs/dbraw/zinc/66/05/72/442660572.db2.gz GSWAECJVIXAJDR-OAHLLOKOSA-N 0 1 348.491 1.739 20 10 EDCDMN C[C@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)CCN1CC(C)(C)O ZINC000188700304 442791302 /nfs/dbraw/zinc/79/13/02/442791302.db2.gz LMMIIMIZZZKPIT-IYNGYCSASA-N 0 1 334.416 1.415 20 10 EDCDMN COC(=O)C[C@@H]1CCCN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000269704801 443403389 /nfs/dbraw/zinc/40/33/89/443403389.db2.gz ZJMVTEKRATUIBR-INIZCTEOSA-N 0 1 333.432 1.396 20 10 EDCDMN COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2cc(OC)ccc2O)C1 ZINC000271763593 443513194 /nfs/dbraw/zinc/51/31/94/443513194.db2.gz ZNOSUWMCJHMCOK-KBPBESRZSA-N 0 1 336.432 1.764 20 10 EDCDMN C[C@@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cnn(C)c1 ZINC000273263276 443565658 /nfs/dbraw/zinc/56/56/58/443565658.db2.gz GGXPZVFKIWZYHX-CQSZACIVSA-N 0 1 329.448 1.795 20 10 EDCDMN C[C@@H]([NH2+]C[C@H](C)CN1CCN(C)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273579545 443581903 /nfs/dbraw/zinc/58/19/03/443581903.db2.gz MHTNHQCKURFBFD-UONOGXRCSA-N 0 1 336.436 1.835 20 10 EDCDMN COc1ccc(N2CCN(C(=O)CN[C@H](C)c3cn[nH]c3)CC2)cc1 ZINC000273979198 443589652 /nfs/dbraw/zinc/58/96/52/443589652.db2.gz HONGGOMJXQEGRY-CQSZACIVSA-N 0 1 343.431 1.418 20 10 EDCDMN CO[C@@H]1C[C@@H](c2nnc[nH]2)N(Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000284732636 443785265 /nfs/dbraw/zinc/78/52/65/443785265.db2.gz XCTLGOSVGYPAAR-OCCSQVGLSA-N 0 1 334.351 1.814 20 10 EDCDMN CN(C)c1ccc(CN(C)[C@@H]2CCN(S(C)(=O)=O)C2)cc1F ZINC000292810212 443848666 /nfs/dbraw/zinc/84/86/66/443848666.db2.gz OPMPUKPIVGHLCE-CYBMUJFWSA-N 0 1 329.441 1.357 20 10 EDCDMN CNS(=O)(=O)[C@H]1CCCN([C@H](C)c2cc(OC)ccc2O)C1 ZINC000364624481 445938609 /nfs/dbraw/zinc/93/86/09/445938609.db2.gz SPJOBOCFJPLHKB-YPMHNXCESA-N 0 1 328.434 1.475 20 10 EDCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCC(N)=O)C1 ZINC000435625452 446704572 /nfs/dbraw/zinc/70/45/72/446704572.db2.gz LMZMFYWOSIGNPS-UHFFFAOYSA-N 0 1 328.416 1.009 20 10 EDCDMN CN1CCc2cc(CNC(=O)C(C)(C)NC(=O)C(F)(F)F)ccc21 ZINC000368978098 447242324 /nfs/dbraw/zinc/24/23/24/447242324.db2.gz OKCJPUXFDFTRDK-UHFFFAOYSA-N 0 1 343.349 1.752 20 10 EDCDMN CCN(CC)c1ccc(CN(C)CC(=O)NC(=O)NC2CC2)cc1 ZINC000741677785 579423702 /nfs/dbraw/zinc/42/37/02/579423702.db2.gz BOWAMVRAYSRWFS-UHFFFAOYSA-N 0 1 332.448 1.953 20 10 EDCDMN CN(C)c1ccc(CNC(=O)CN2CCC[C@@H](n3ccnc3)C2)cc1 ZINC000729919763 578599256 /nfs/dbraw/zinc/59/92/56/578599256.db2.gz 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