smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1nc(C[N@H+](C)Cc2ccc(O[C@H](C)C(=O)[O-])cc2)cs1 ZINC000902182891 980772788 /nfs/dbraw/zinc/77/27/88/980772788.db2.gz SZODMLNLLOXWFL-GFCCVEGCSA-N 0 2 334.441 3.189 20 0 EGADLN CCc1nc(C[N@@H+](C)Cc2ccc(O[C@H](C)C(=O)[O-])cc2)cs1 ZINC000902182891 980772793 /nfs/dbraw/zinc/77/27/93/980772793.db2.gz SZODMLNLLOXWFL-GFCCVEGCSA-N 0 2 334.441 3.189 20 0 EGADLN O=C([O-])c1ccc2c(c1)CC[N@@H+](Cc1cccnc1C(F)(F)F)C2 ZINC000903616446 980994573 /nfs/dbraw/zinc/99/45/73/980994573.db2.gz IJBSOZUZHMVFHH-UHFFFAOYSA-N 0 2 336.313 3.357 20 0 EGADLN O=C([O-])c1ccc2c(c1)CC[N@H+](Cc1cccnc1C(F)(F)F)C2 ZINC000903616446 980994575 /nfs/dbraw/zinc/99/45/75/980994575.db2.gz IJBSOZUZHMVFHH-UHFFFAOYSA-N 0 2 336.313 3.357 20 0 EGADLN COc1ccc2[nH]c3c(c2c1)CC[N@@H+]([C@@H](C(=O)[O-])c1ccsc1)C3 ZINC000903617998 980996171 /nfs/dbraw/zinc/99/61/71/980996171.db2.gz AHWFTNFLFKGISN-QGZVFWFLSA-N 0 2 342.420 3.422 20 0 EGADLN COc1ccc2[nH]c3c(c2c1)CC[N@H+]([C@@H](C(=O)[O-])c1ccsc1)C3 ZINC000903617998 980996175 /nfs/dbraw/zinc/99/61/75/980996175.db2.gz AHWFTNFLFKGISN-QGZVFWFLSA-N 0 2 342.420 3.422 20 0 EGADLN CC[C@@H]([NH2+]Cc1ccc(C(=O)[O-])cn1)c1nc(C(F)(F)F)cs1 ZINC000905726291 981124566 /nfs/dbraw/zinc/12/45/66/981124566.db2.gz OJZXLMSJLMYINM-SNVBAGLBSA-N 0 2 345.346 3.496 20 0 EGADLN CC(C)C[C@@H](C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1)n1cc[nH+]c1 ZINC000910301078 981858171 /nfs/dbraw/zinc/85/81/71/981858171.db2.gz HHCBMIQWARMHIK-BBWFWOEESA-N 0 2 341.411 3.297 20 0 EGADLN CC(C)c1cc(N[C@@H](CC2CCOCC2)C(=O)[O-])nc(C(C)C)[nH+]1 ZINC000910438996 981932516 /nfs/dbraw/zinc/93/25/16/981932516.db2.gz AMEQSMUVZGSISK-HNNXBMFYSA-N 0 2 335.448 3.405 20 0 EGADLN CC[C@](C)([NH2+]Cc1nnc(-c2cccc3ccccc32)o1)C(=O)[O-] ZINC001594853040 982104440 /nfs/dbraw/zinc/10/44/40/982104440.db2.gz DMZSTCOCAHNKMU-SFHVURJKSA-N 0 2 325.368 3.233 20 0 EGADLN CCCCC[C@H](NC(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1)C(=O)[O-] ZINC001595675811 982144078 /nfs/dbraw/zinc/14/40/78/982144078.db2.gz AVFORLUGTDTHEN-XHSDSOJGSA-N 0 2 347.459 3.202 20 0 EGADLN CCCCN(c1cc[nH+]cc1)S(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC001595747576 982415093 /nfs/dbraw/zinc/41/50/93/982415093.db2.gz GFEWRBLNDKPTPE-UHFFFAOYSA-N 0 2 348.424 3.084 20 0 EGADLN CCCn1cc(C[N@@H+]2CCC[C@H]2c2nc(C(=O)[O-])c(C)s2)c(C)n1 ZINC001596113721 983443829 /nfs/dbraw/zinc/44/38/29/983443829.db2.gz RFDVMUVKNJRTCO-AWEZNQCLSA-N 0 2 348.472 3.402 20 0 EGADLN CCCn1cc(C[N@H+]2CCC[C@H]2c2nc(C(=O)[O-])c(C)s2)c(C)n1 ZINC001596113721 983443832 /nfs/dbraw/zinc/44/38/32/983443832.db2.gz RFDVMUVKNJRTCO-AWEZNQCLSA-N 0 2 348.472 3.402 20 0 EGADLN CC[N@H+](CC(=O)N1CCCCCC1)Cc1cc(C(=O)[O-])c(C(C)C)[nH]1 ZINC001596202234 983587942 /nfs/dbraw/zinc/58/79/42/983587942.db2.gz RPYUSUVZKZVMIO-UHFFFAOYSA-N 0 2 349.475 3.061 20 0 EGADLN CC[N@@H+](CC(=O)N1CCCCCC1)Cc1cc(C(=O)[O-])c(C(C)C)[nH]1 ZINC001596202234 983587944 /nfs/dbraw/zinc/58/79/44/983587944.db2.gz RPYUSUVZKZVMIO-UHFFFAOYSA-N 0 2 349.475 3.061 20 0 EGADLN C[C@H]([NH2+]Cc1oncc1C(=O)[O-])c1ccc(Br)cc1F ZINC001599901876 984849106 /nfs/dbraw/zinc/84/91/06/984849106.db2.gz SLTBAKCMEJQCSS-ZETCQYMHSA-N 0 2 343.152 3.125 20 0 EGADLN C[C@@H](C(=O)[O-])c1ccc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC001589507966 987125878 /nfs/dbraw/zinc/12/58/78/987125878.db2.gz FRQDTMFONGTLAE-TZMCWYRMSA-N 0 2 342.399 3.009 20 0 EGADLN CC(C)(C(=O)[O-])c1csc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC001589649179 987587043 /nfs/dbraw/zinc/58/70/43/987587043.db2.gz LTTBUNBVXOEPFE-AWEZNQCLSA-N 0 2 346.452 3.079 20 0 EGADLN CC(C)(C(=O)[O-])c1csc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC001589649179 987587047 /nfs/dbraw/zinc/58/70/47/987587047.db2.gz LTTBUNBVXOEPFE-AWEZNQCLSA-N 0 2 346.452 3.079 20 0 EGADLN CCc1cc(C[NH2+]Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)on1 ZINC001597478209 987957236 /nfs/dbraw/zinc/95/72/36/987957236.db2.gz GWTILFZPJQGWGN-UHFFFAOYSA-N 0 2 326.352 3.485 20 0 EGADLN CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1Cc1ccc(C(=O)[O-])[nH]1 ZINC001597849528 989579216 /nfs/dbraw/zinc/57/92/16/989579216.db2.gz WEFSPABJRLVJHK-QGZVFWFLSA-N 0 2 338.411 3.420 20 0 EGADLN CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])[nH]1 ZINC001597849528 989579226 /nfs/dbraw/zinc/57/92/26/989579226.db2.gz WEFSPABJRLVJHK-QGZVFWFLSA-N 0 2 338.411 3.420 20 0 EGADLN CC(C)([NH2+]Cc1nc(C(=O)[O-])cs1)c1nc2ccccc2s1 ZINC001590874868 990785879 /nfs/dbraw/zinc/78/58/79/990785879.db2.gz MTWCQVCPHAZJPG-UHFFFAOYSA-N 0 2 333.438 3.476 20 0 EGADLN C[N@H+](CC(=O)Nc1ccccc1Cl)Cc1ccc(/C=C/C(=O)[O-])o1 ZINC001598399203 991680641 /nfs/dbraw/zinc/68/06/41/991680641.db2.gz BYKMFWRRSGTBTQ-CMDGGOBGSA-N 0 2 348.786 3.101 20 0 EGADLN C[N@@H+](CC(=O)Nc1ccccc1Cl)Cc1ccc(/C=C/C(=O)[O-])o1 ZINC001598399203 991680647 /nfs/dbraw/zinc/68/06/47/991680647.db2.gz BYKMFWRRSGTBTQ-CMDGGOBGSA-N 0 2 348.786 3.101 20 0 EGADLN COc1nsc(C[N@@H+]2CC(C)(C)[C@H]2c2cccs2)c1C(=O)[O-] ZINC001599740630 991848081 /nfs/dbraw/zinc/84/80/81/991848081.db2.gz AFUOILVXQDKQMV-GFCCVEGCSA-N 0 2 338.454 3.495 20 0 EGADLN COc1nsc(C[N@H+]2CC(C)(C)[C@H]2c2cccs2)c1C(=O)[O-] ZINC001599740630 991848089 /nfs/dbraw/zinc/84/80/89/991848089.db2.gz AFUOILVXQDKQMV-GFCCVEGCSA-N 0 2 338.454 3.495 20 0 EGADLN CC(C)CCOc1ccc(/C=C(/C[NH+]2CCC(=O)CC2)C(=O)[O-])cc1 ZINC001591261262 992172845 /nfs/dbraw/zinc/17/28/45/992172845.db2.gz YZXSDXWBQDIGSU-LGMDPLHJSA-N 0 2 345.439 3.244 20 0 EGADLN COc1cccc(-c2nc(C[N@@H+]3CC[C@H](C)C[C@H]3C(=O)[O-])co2)c1 ZINC001599641236 994361687 /nfs/dbraw/zinc/36/16/87/994361687.db2.gz YXNBIAUHWMVOGS-LRDDRELGSA-N 0 2 330.384 3.035 20 0 EGADLN COc1cccc(-c2nc(C[N@H+]3CC[C@H](C)C[C@H]3C(=O)[O-])co2)c1 ZINC001599641236 994361692 /nfs/dbraw/zinc/36/16/92/994361692.db2.gz YXNBIAUHWMVOGS-LRDDRELGSA-N 0 2 330.384 3.035 20 0 EGADLN C[C@H]([NH2+]C[C@H]1CCCc2ccc(C(=O)[O-])cc21)C(=O)OC(C)(C)C ZINC001593257823 994536935 /nfs/dbraw/zinc/53/69/35/994536935.db2.gz ULROSURLNCZGCP-SWLSCSKDSA-N 0 2 333.428 3.125 20 0 EGADLN C[C@@H](Oc1ccccc1C[N@@H+]1CCS[C@@H](C(F)(F)F)C1)C(=O)[O-] ZINC001593644767 995966053 /nfs/dbraw/zinc/96/60/53/995966053.db2.gz CYSZACJPEANAKL-ZWNOBZJWSA-N 0 2 349.374 3.018 20 0 EGADLN C[C@@H](Oc1ccccc1C[N@H+]1CCS[C@@H](C(F)(F)F)C1)C(=O)[O-] ZINC001593644767 995966054 /nfs/dbraw/zinc/96/60/54/995966054.db2.gz CYSZACJPEANAKL-ZWNOBZJWSA-N 0 2 349.374 3.018 20 0 EGADLN C[C@H](c1nc(C(=O)[O-])co1)[N@@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC001593723802 996259943 /nfs/dbraw/zinc/25/99/43/996259943.db2.gz ABBNNFHDXSCZSC-YPMHNXCESA-N 0 2 346.358 3.168 20 0 EGADLN C[C@H](c1nc(C(=O)[O-])co1)[N@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC001593723802 996259949 /nfs/dbraw/zinc/25/99/49/996259949.db2.gz ABBNNFHDXSCZSC-YPMHNXCESA-N 0 2 346.358 3.168 20 0 EGADLN C[C@H](c1nc(C(=O)[O-])co1)[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC001593723918 996260628 /nfs/dbraw/zinc/26/06/28/996260628.db2.gz BVRQSDIKKGTQBD-MWLCHTKSSA-N 0 2 332.322 3.488 20 0 EGADLN C[C@H](c1nc(C(=O)[O-])co1)[N@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC001593723918 996260633 /nfs/dbraw/zinc/26/06/33/996260633.db2.gz BVRQSDIKKGTQBD-MWLCHTKSSA-N 0 2 332.322 3.488 20 0 EGADLN COc1cc(C(=O)[O-])ccc1CCNc1cc(C(F)(F)F)cc[nH+]1 ZINC001599368812 998378208 /nfs/dbraw/zinc/37/82/08/998378208.db2.gz VZGPLDQHMHVCSX-UHFFFAOYSA-N 0 2 340.301 3.462 20 0 EGADLN COc1ccc(Br)c(CNc2ccc(C(=O)[O-])c[nH+]2)c1 ZINC001599475807 998530363 /nfs/dbraw/zinc/53/03/63/998530363.db2.gz KGSFYUNKLLNZFQ-UHFFFAOYSA-N 0 2 337.173 3.163 20 0 EGADLN CCC(CC)[C@@H]1C[C@H](NC(=O)c2cc(F)c(O)c(F)c2)CCO1 ZINC000183457555 282246561 /nfs/dbraw/zinc/24/65/61/282246561.db2.gz YCXIEBGCIRAEPA-DOMZBBRYSA-N 0 2 327.371 3.384 20 0 EGADLN O=C([O-])C1CCN(c2cc[nH+]c3c(Br)cccc23)CC1 ZINC000262855866 304042329 /nfs/dbraw/zinc/04/23/29/304042329.db2.gz YBOCYSZPJKJSPG-UHFFFAOYSA-N 0 2 335.201 3.298 20 0 EGADLN Cc1ccc(O)c(NS(=O)(=O)c2ccccc2Br)c1 ZINC000037746329 202034084 /nfs/dbraw/zinc/03/40/84/202034084.db2.gz 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/nfs/dbraw/zinc/13/41/99/201134199.db2.gz BIQOKZSQWUAGGG-UHFFFAOYSA-N 0 2 340.351 3.032 20 0 EGADLN C[C@@H]1CN(Cc2nc(=O)c3sccc3[nH]2)C[C@@H](c2ccccc2)O1 ZINC000253613167 244038717 /nfs/dbraw/zinc/03/87/17/244038717.db2.gz WHDPIBUQAZPVBH-DOMZBBRYSA-N 0 2 341.436 3.359 20 0 EGADLN CC1CCC(=CC(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)CC1 ZINC000071907990 203146589 /nfs/dbraw/zinc/14/65/89/203146589.db2.gz UVPILCAUTPFVGW-UHFFFAOYSA-N 0 2 331.441 3.080 20 0 EGADLN COCc1ccccc1C(=O)NCCCc1cc(OC)ccc1OC ZINC000121167579 204784323 /nfs/dbraw/zinc/78/43/23/204784323.db2.gz IIYLSKFEMPAKSK-UHFFFAOYSA-N 0 2 343.423 3.213 20 0 EGADLN Cn1nc(C2CCCCC2)cc1NS(=O)(=O)c1cccs1 ZINC000129000650 205173308 /nfs/dbraw/zinc/17/33/08/205173308.db2.gz HJXVMYMQEHDQAN-UHFFFAOYSA-N 0 2 325.459 3.330 20 0 EGADLN CCCCOc1cccc(NS(=O)(=O)c2c(C)nn(C)c2C)c1 ZINC000133026237 205352338 /nfs/dbraw/zinc/35/23/38/205352338.db2.gz FFOWACZPUCTVBU-UHFFFAOYSA-N 0 2 337.445 3.017 20 0 EGADLN Cc1csc(C(C)(C)NC(=O)NC[C@H](C)c2c(C)noc2C)n1 ZINC000151498830 205647118 /nfs/dbraw/zinc/64/71/18/205647118.db2.gz WQIYLIQEUMTUJR-VIFPVBQESA-N 0 2 336.461 3.394 20 0 EGADLN CC(=O)N[C@@H](C(=O)Nc1cc(Cl)c(O)c(Cl)c1)C1CCCC1 ZINC000155522083 206013697 /nfs/dbraw/zinc/01/36/97/206013697.db2.gz BXAHMXHCWUXNRX-CYBMUJFWSA-N 0 2 345.226 3.332 20 0 EGADLN Cc1ccc2cccc(NS(=O)(=O)c3cnn(C(C)C)c3)c2n1 ZINC000157752310 206154583 /nfs/dbraw/zinc/15/45/83/206154583.db2.gz GRQFSGPYVIEHFF-UHFFFAOYSA-N 0 2 330.413 3.121 20 0 EGADLN CC(C)n1cc(S(=O)(=O)Nc2ccc(OC(F)F)c(F)c2)cn1 ZINC000157662865 206149760 /nfs/dbraw/zinc/14/97/60/206149760.db2.gz BVOWKWHVTDIXKV-UHFFFAOYSA-N 0 2 349.334 3.005 20 0 EGADLN CC1(C)CCC(C(=O)NS(=O)(=O)c2cnc3ccccc3c2)CC1 ZINC000408481457 169180198 /nfs/dbraw/zinc/18/01/98/169180198.db2.gz RNQPHLVGZYBGBG-UHFFFAOYSA-N 0 2 346.452 3.256 20 0 EGADLN O=C(Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1)[C@H](O)c1ccccc1 ZINC000174335427 207012733 /nfs/dbraw/zinc/01/27/33/207012733.db2.gz BVDRZPWNFPHJTP-DLBZAZTESA-N 0 2 337.379 3.087 20 0 EGADLN 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Cc1ncc(S(=O)(=O)Nc2cccc(-c3ncco3)c2C)s1 ZINC000427333956 457975287 /nfs/dbraw/zinc/97/52/87/457975287.db2.gz DVNOTQWYBSCHKS-UHFFFAOYSA-N 0 2 335.410 3.216 20 0 EGADLN O=C(c1cc(F)cc(Cl)c1O)N1CCC([C@@H]2CCOC2)CC1 ZINC000368175174 458017409 /nfs/dbraw/zinc/01/74/09/458017409.db2.gz UWZULGUPIUIDKH-LLVKDONJSA-N 0 2 327.783 3.073 20 0 EGADLN CSc1cccc(S(=O)(=O)Nc2nc3cc(C)ccc3[nH]2)c1 ZINC000427660333 458018321 /nfs/dbraw/zinc/01/83/21/458018321.db2.gz RGHPNFJQAOLRHU-UHFFFAOYSA-N 0 2 333.438 3.394 20 0 EGADLN COc1ccc2c(c1)onc2NS(=O)(=O)Cc1cccc(C)c1 ZINC000427788593 458035133 /nfs/dbraw/zinc/03/51/33/458035133.db2.gz XSGMIBDMCUQECX-UHFFFAOYSA-N 0 2 332.381 3.087 20 0 EGADLN c1cn2cc(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)nc2s1 ZINC000434685897 458035464 /nfs/dbraw/zinc/03/54/64/458035464.db2.gz QIYXJDPLBFQMHC-UHFFFAOYSA-N 0 2 341.484 3.308 20 0 EGADLN CCc1ccccc1N1CC(=O)C(C(=O)N2CC[C@H](C)C(F)(F)C2)=N1 ZINC000427934636 458052792 /nfs/dbraw/zinc/05/27/92/458052792.db2.gz VCMCAMVSPHNYIN-LBPRGKRZSA-N 0 2 349.381 3.258 20 0 EGADLN O=S(=O)(Nc1cnn(C(F)F)c1)c1ccc(Cl)cc1Cl ZINC000362348885 458120291 /nfs/dbraw/zinc/12/02/91/458120291.db2.gz OMCIZBKGUMERIJ-UHFFFAOYSA-N 0 2 342.154 3.386 20 0 EGADLN CCn1nc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c2ccccc21 ZINC000372124010 458201217 /nfs/dbraw/zinc/20/12/17/458201217.db2.gz HONQEHAPAWZTAN-INIZCTEOSA-N 0 2 337.471 3.244 20 0 EGADLN CC(C)Oc1ncccc1NC(=O)C1=NN(c2ccccc2)CC1=O ZINC000362477632 458204382 /nfs/dbraw/zinc/20/43/82/458204382.db2.gz WJIOJWJAQKTFGY-UHFFFAOYSA-N 0 2 338.367 3.012 20 0 EGADLN Cc1cc2n[nH]cc2cc1NS(=O)(=O)c1cc(F)c(C)cc1F ZINC000358789533 458218701 /nfs/dbraw/zinc/21/87/01/458218701.db2.gz HSDSJIKSEJLQDP-UHFFFAOYSA-N 0 2 337.351 3.259 20 0 EGADLN CCc1ncsc1NS(=O)(=O)c1cnc2ccsc2c1 ZINC000358798790 458223680 /nfs/dbraw/zinc/22/36/80/458223680.db2.gz KYXCTMMCXZXJSE-UHFFFAOYSA-N 0 2 325.440 3.116 20 0 EGADLN Cc1ccc(S(=O)(=O)Nc2cccnc2N2CCCCC2)c(F)c1 ZINC000358809471 458230682 /nfs/dbraw/zinc/23/06/82/458230682.db2.gz JGZHEHFONKCXJR-UHFFFAOYSA-N 0 2 349.431 3.320 20 0 EGADLN O=C(Nc1nc(-c2cccc3ccccc32)n[nH]1)c1c[nH]c(C2CC2)n1 ZINC000429059276 458267075 /nfs/dbraw/zinc/26/70/75/458267075.db2.gz LQGGTLCIAWQZDV-UHFFFAOYSA-N 0 2 344.378 3.478 20 0 EGADLN Cc1ccc(S(=O)(=O)Nc2cccc(F)c2-c2nc[nH]n2)cc1C ZINC000447274011 458278548 /nfs/dbraw/zinc/27/85/48/458278548.db2.gz YHMRCMDMEIHSIV-UHFFFAOYSA-N 0 2 346.387 3.028 20 0 EGADLN Cc1cccc(S(=O)(=O)Nc2ccc(-c3nncs3)cc2)c1F ZINC000436480539 458310259 /nfs/dbraw/zinc/31/02/59/458310259.db2.gz YNRACDYVFURWFT-UHFFFAOYSA-N 0 2 349.412 3.453 20 0 EGADLN O=C(N[C@@H]1C[C@@H]1c1c(F)cccc1F)c1cc(F)c(O)c(F)c1 ZINC000436521552 458321541 /nfs/dbraw/zinc/32/15/41/458321541.db2.gz FSTFEKDHNDKUQK-ISVAXAHUSA-N 0 2 325.261 3.235 20 0 EGADLN O=C(Nc1ccc(Cn2cccn2)cc1)c1cc(F)c(O)c(F)c1 ZINC000436530457 458322971 /nfs/dbraw/zinc/32/29/71/458322971.db2.gz ATYFLBZHHOQZQH-UHFFFAOYSA-N 0 2 329.306 3.168 20 0 EGADLN CCNC(=O)Nc1cccc(NC(=O)c2cc(F)c(O)c(F)c2)c1C ZINC000447653468 458326695 /nfs/dbraw/zinc/32/66/95/458326695.db2.gz MFHKIQHPJQAAPO-UHFFFAOYSA-N 0 2 349.337 3.373 20 0 EGADLN CC(C)c1ccc(C(=O)Nc2ccc(-c3nc(=O)o[nH]3)cc2)c(O)c1 ZINC000436539799 458327230 /nfs/dbraw/zinc/32/72/30/458327230.db2.gz ZSJNGKRODLIBJT-UHFFFAOYSA-N 0 2 339.351 3.111 20 0 EGADLN O=C(NCCc1ccc2c(c1)CCO2)c1cc(F)cc(Cl)c1O ZINC000436665368 458355475 /nfs/dbraw/zinc/35/54/75/458355475.db2.gz NWKANWKMSFMUKB-UHFFFAOYSA-N 0 2 335.762 3.092 20 0 EGADLN COCCN(C(=O)c1cc(F)cc(Cl)c1O)[C@@H]1CC[C@H](C)C1 ZINC000436677225 458358130 /nfs/dbraw/zinc/35/81/30/458358130.db2.gz CBOSGNKMHCAYDC-CMPLNLGQSA-N 0 2 329.799 3.462 20 0 EGADLN Cc1cc[nH+]c(C)c1NC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000376676080 458366634 /nfs/dbraw/zinc/36/66/34/458366634.db2.gz ZLKNHIWZDRIYBJ-GOSISDBHSA-N 0 2 338.455 3.342 20 0 EGADLN CCSc1nnc(NC(=O)c2cc(F)cc(Cl)c2O)s1 ZINC000436736983 458370868 /nfs/dbraw/zinc/37/08/68/458370868.db2.gz HHKHMSUQCWBRTE-UHFFFAOYSA-N 0 2 333.797 3.401 20 0 EGADLN Cc1ccsc1C(=O)Nc1nc(-c2ccc(O)c(Cl)c2)n[nH]1 ZINC000436912879 458405356 /nfs/dbraw/zinc/40/53/56/458405356.db2.gz DPFCYNFPWKMVIE-UHFFFAOYSA-N 0 2 334.788 3.453 20 0 EGADLN CC(C)(C)OC1CC(CCNC(=O)c2cc(F)c(O)c(F)c2)C1 ZINC000436946610 458411158 /nfs/dbraw/zinc/41/11/58/458411158.db2.gz CYUNNIGDOMBTFR-UHFFFAOYSA-N 0 2 327.371 3.384 20 0 EGADLN CC(C)C(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cn2)cc1 ZINC000437397686 458450807 /nfs/dbraw/zinc/45/08/07/458450807.db2.gz PKWFLVFGFKILKG-UHFFFAOYSA-N 0 2 338.816 3.375 20 0 EGADLN CC(C)C(=O)c1ccc(S(=O)(=O)Nc2cnn(C(C)(C)C)c2)cc1 ZINC000438780881 458613617 /nfs/dbraw/zinc/61/36/17/458613617.db2.gz ZDBLDNNHYFCPHT-UHFFFAOYSA-N 0 2 349.456 3.278 20 0 EGADLN CCc1ccccc1N1CC(=O)C(C(=O)N2CCC(F)(F)C[C@@H]2C)=N1 ZINC000530005821 458650881 /nfs/dbraw/zinc/65/08/81/458650881.db2.gz CNHVJLXBZVHCQN-LBPRGKRZSA-N 0 2 349.381 3.400 20 0 EGADLN Cc1[nH]ncc1CNS(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000439203907 458670823 /nfs/dbraw/zinc/67/08/23/458670823.db2.gz YTGRAJGXZSNGHY-UHFFFAOYSA-N 0 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PJFNHVILQXMWAS-PSLXWICFSA-N 0 2 339.501 3.381 20 0 EGADLN CC(C)Oc1ccccc1[C@H](C)NS(=O)(=O)CC(F)(F)F ZINC000547469271 458744400 /nfs/dbraw/zinc/74/44/00/458744400.db2.gz SWULAYWKUIGJLX-JTQLQIEISA-N 0 2 325.352 3.017 20 0 EGADLN Cc1nc2cc(NS(=O)(=O)c3c(C)cccc3F)ccc2n1C ZINC000547495937 458749850 /nfs/dbraw/zinc/74/98/50/458749850.db2.gz USUNFUTVAHYOII-UHFFFAOYSA-N 0 2 333.388 3.130 20 0 EGADLN Cc1c(F)cccc1S(=O)(=O)Nc1c2c(nn1C(C)C)CCC2 ZINC000471948032 458755624 /nfs/dbraw/zinc/75/56/24/458755624.db2.gz VJRFUZIDDYLQQM-UHFFFAOYSA-N 0 2 337.420 3.201 20 0 EGADLN Cc1cnc(NS(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)o1 ZINC000530774482 458826658 /nfs/dbraw/zinc/82/66/58/458826658.db2.gz RVZPTEMMQNFISC-UHFFFAOYSA-N 0 2 326.377 3.355 20 0 EGADLN CCC1(CC)CCN(C(=O)c2ccc(-c3nc(=O)o[nH]3)cc2)CC1 ZINC000548254359 458855295 /nfs/dbraw/zinc/85/52/95/458855295.db2.gz OMHZCMVZAZVNNS-UHFFFAOYSA-N 0 2 329.400 3.072 20 0 EGADLN COc1c(C)cc(S(=O)(=O)Nc2cc(C3CCCC3)n[nH]2)cc1C ZINC000474422516 458885259 /nfs/dbraw/zinc/88/52/59/458885259.db2.gz USUSZNVWDLHAFO-UHFFFAOYSA-N 0 2 349.456 3.494 20 0 EGADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)NCC(C1CC1)C1CC1 ZINC000531341845 458903614 /nfs/dbraw/zinc/90/36/14/458903614.db2.gz RXPOFVJLXQJXEQ-UHFFFAOYSA-N 0 2 328.441 3.185 20 0 EGADLN Cc1cc(C)cc(OCC(=O)N=c2ccc(-c3ccccc3)n[nH]2)c1 ZINC000531480819 458924138 /nfs/dbraw/zinc/92/41/38/458924138.db2.gz WAUVEJYNNIDTRP-UHFFFAOYSA-N 0 2 333.391 3.200 20 0 EGADLN COc1ccc([NH+]=c2[n-]nc([C@H]3CCCO3)n2C2CC2)cc1SC ZINC000576831824 458930379 /nfs/dbraw/zinc/93/03/79/458930379.db2.gz UDXGWPAEXGKONO-CQSZACIVSA-N 0 2 346.456 3.361 20 0 EGADLN CC[C@@H](C)[C@H](OC)C(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1 ZINC000475927642 458972874 /nfs/dbraw/zinc/97/28/74/458972874.db2.gz UBXZAYVCJGZYDK-SKDRFNHKSA-N 0 2 339.848 3.280 20 0 EGADLN Cc1cc(=NC(=O)N2C[C@@H](c3ccc(F)cc3)C[C@H]2C)[nH]nc1C ZINC000467464210 458975577 /nfs/dbraw/zinc/97/55/77/458975577.db2.gz JWUCWGLPDILTJV-DOMZBBRYSA-N 0 2 328.391 3.064 20 0 EGADLN CC1(C)CCC[N@@H+]1CCNC(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000556705339 458992479 /nfs/dbraw/zinc/99/24/79/458992479.db2.gz MSKBCGFDVPANAR-UHFFFAOYSA-N 0 2 339.439 3.478 20 0 EGADLN CC(C)CCC1CCN(C(=O)c2ccc(-c3nc(=O)o[nH]3)cc2)CC1 ZINC000532104783 459030747 /nfs/dbraw/zinc/03/07/47/459030747.db2.gz MSODFXFXOHHPSF-UHFFFAOYSA-N 0 2 343.427 3.318 20 0 EGADLN CC(C)CO[C@@H](C)C(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1 ZINC000520099368 459031755 /nfs/dbraw/zinc/03/17/55/459031755.db2.gz BJPSBFGQVMUXFA-JTQLQIEISA-N 0 2 339.848 3.280 20 0 EGADLN COc1ccc(C)cc1C[S@](=O)C=C(O)c1cc(C)n(C)c1C ZINC000532327686 459067349 /nfs/dbraw/zinc/06/73/49/459067349.db2.gz SHAWMGDQIZSQLC-QHCPKHFHSA-N 0 2 333.453 3.091 20 0 EGADLN O=C(c1ccc(C2CCCC2)cc1)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000567390532 459099333 /nfs/dbraw/zinc/09/93/33/459099333.db2.gz CYSQKPOSAJWGDA-UHFFFAOYSA-N 0 2 340.427 3.188 20 0 EGADLN C[C@@H](C(F)(F)F)S(=O)(=O)NC[C@H]1CCCC[C@H]1C(F)(F)F ZINC000557864540 459115275 /nfs/dbraw/zinc/11/52/75/459115275.db2.gz 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CC(C)OC1CCN(C(=O)N=c2nc(-c3ccccc3)[nH]s2)CC1 ZINC000531423203 313668484 /nfs/dbraw/zinc/66/84/84/313668484.db2.gz VPHNIIWBQBGRJW-UHFFFAOYSA-N 0 2 346.456 3.048 20 0 EGADLN CC(C)C[C@@H]1CCCCN1C(=O)c1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000531813784 313716836 /nfs/dbraw/zinc/71/68/36/313716836.db2.gz NZPWBVKMSOCFRZ-HNNXBMFYSA-N 0 2 329.400 3.071 20 0 EGADLN Cc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)nc2)c(F)c1 ZINC000090166952 454288726 /nfs/dbraw/zinc/28/87/26/454288726.db2.gz RWQNUMLMXXPYQL-UHFFFAOYSA-N 0 2 334.294 3.349 20 0 EGADLN COc1ccc(F)cc1NS(=O)(=O)c1cccc2ccc(C)nc21 ZINC000535067521 314022894 /nfs/dbraw/zinc/02/28/94/314022894.db2.gz YCCNDLMDRQWPLQ-UHFFFAOYSA-N 0 2 346.383 3.492 20 0 EGADLN COc1c(C)cc(C(=O)N=c2ccc(-c3ccccc3)n[nH]2)cc1C ZINC000538074005 314226241 /nfs/dbraw/zinc/22/62/41/314226241.db2.gz SJMSJCAFIYCHDV-UHFFFAOYSA-N 0 2 333.391 3.443 20 0 EGADLN CN1CCc2ccc(NC(=O)c3cccc(Br)c3O)cc21 ZINC000538348494 314241673 /nfs/dbraw/zinc/24/16/73/314241673.db2.gz WTFGIKIIUKBDRO-UHFFFAOYSA-N 0 2 347.212 3.399 20 0 EGADLN CSc1ccccc1CC(=O)N=c1ccc(-c2ccccc2)n[nH]1 ZINC000538560252 314254610 /nfs/dbraw/zinc/25/46/10/314254610.db2.gz UTDRLOYGMSTLIS-UHFFFAOYSA-N 0 2 335.432 3.469 20 0 EGADLN CCSc1nnc(NS(=O)(=O)c2cccc(C)c2Cl)s1 ZINC000539472723 314315860 /nfs/dbraw/zinc/31/58/60/314315860.db2.gz JSFQRNDPSNHEEY-UHFFFAOYSA-N 0 2 349.890 3.413 20 0 EGADLN Cc1cc(S(=O)(=O)Nc2[nH]nc(C)c2-c2ccccc2)c(C)o1 ZINC000540652050 314394070 /nfs/dbraw/zinc/39/40/70/314394070.db2.gz NWCLXHRPPVKJIL-UHFFFAOYSA-N 0 2 331.397 3.396 20 0 EGADLN CC(C)(C)c1nc(=NCc2ncc(-c3ccccc3)cn2)s[nH]1 ZINC000548614606 315026962 /nfs/dbraw/zinc/02/69/62/315026962.db2.gz KFCQNQQFGDWQOH-UHFFFAOYSA-N 0 2 325.441 3.327 20 0 EGADLN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)c1c(F)cccc1F ZINC000549731620 315103029 /nfs/dbraw/zinc/10/30/29/315103029.db2.gz VXEASIVPTIUJBH-UHFFFAOYSA-N 0 2 330.294 3.016 20 0 EGADLN CC(C)c1cccc(N2CC(=O)C(C(=O)N3Cc4cccnc4C3)=N2)c1 ZINC000550245817 315121430 /nfs/dbraw/zinc/12/14/30/315121430.db2.gz 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316344308 /nfs/dbraw/zinc/34/43/08/316344308.db2.gz VKCAOKJBFFUGGH-UHFFFAOYSA-N 0 2 330.823 3.048 20 0 EGADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N[C@@H]2CCC[C@@H](F)C2)=N1 ZINC000566274739 316447908 /nfs/dbraw/zinc/44/79/08/316447908.db2.gz MRCYAYUQTDMYNM-DGCLKSJQSA-N 0 2 335.354 3.036 20 0 EGADLN CC[C@H](c1cccc(OC)c1)N(C)C(=O)N=c1cc(C)c(C)n[nH]1 ZINC000567958888 316701367 /nfs/dbraw/zinc/70/13/67/316701367.db2.gz DMXHDDUMBXASEK-MRXNPFEDSA-N 0 2 328.416 3.139 20 0 EGADLN CCCO[C@@H]1CCCN(c2cc(C(C)(C)C)[nH+]c(C(=O)[O-])n2)CC1 ZINC000567978406 316703364 /nfs/dbraw/zinc/70/33/64/316703364.db2.gz DLJRMKGVRDTNCU-CYBMUJFWSA-N 0 2 335.448 3.258 20 0 EGADLN CC(C)(C)c1cc(N2CCC[C@@]3(CCSC3)C2)nc(C(=O)[O-])[nH+]1 ZINC000570335503 317041153 /nfs/dbraw/zinc/04/11/53/317041153.db2.gz HOHGKRZQFPELEY-QGZVFWFLSA-N 0 2 335.473 3.196 20 0 EGADLN CCc1nc(C)c(CNc2[nH+]c3ccccc3c(C)c2C(=O)[O-])o1 ZINC000570335483 317041601 /nfs/dbraw/zinc/04/16/01/317041601.db2.gz GMJSBRLWTPHCEF-UHFFFAOYSA-N 0 2 325.368 3.134 20 0 EGADLN C[C@H]1C[C@@H]1c1ccc(CNC(=O)C2=NN(c3ccccc3)CC2=O)o1 ZINC000571829127 317253322 /nfs/dbraw/zinc/25/33/22/317253322.db2.gz LVWUCRFJCDWGGT-WFASDCNBSA-N 0 2 337.379 3.224 20 0 EGADLN Cc1cc(F)cc(S(=O)(=O)Nc2nc3c(s2)CSCC3)c1 ZINC000571899919 317264311 /nfs/dbraw/zinc/26/43/11/317264311.db2.gz GBULRDFJKSGHPF-UHFFFAOYSA-N 0 2 344.458 3.181 20 0 EGADLN Cc1cc(C)c(S(=O)(=O)Nc2cccc3c2OCCC3=O)s1 ZINC000572373283 317330566 /nfs/dbraw/zinc/33/05/66/317330566.db2.gz YDUQERIBPAGLHS-UHFFFAOYSA-N 0 2 337.422 3.131 20 0 EGADLN Cc1c(C(=O)[O-])sc2ncnc(NCc3cc(C)[nH+]c(C)c3)c12 ZINC000572527579 317351888 /nfs/dbraw/zinc/35/18/88/317351888.db2.gz CSQFNNRWMOVKRL-UHFFFAOYSA-N 0 2 328.397 3.322 20 0 EGADLN O=S(=O)(Nc1c[nH]nc1-c1ccccc1)c1cc(F)ccc1F ZINC000179096088 323368972 /nfs/dbraw/zinc/36/89/72/323368972.db2.gz GSVXFOXEXDFTMG-UHFFFAOYSA-N 0 2 335.335 3.156 20 0 EGADLN COc1ccc(-c2[nH]ncc2C(=O)Nc2cc(F)ccc2O)cc1 ZINC000179645951 323398551 /nfs/dbraw/zinc/39/85/51/323398551.db2.gz 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337.445 3.133 20 0 EGADLN O=C(COc1ccc(-c2ccccc2)cc1Cl)N=c1cccn[nH]1 ZINC000605467575 460588283 /nfs/dbraw/zinc/58/82/83/460588283.db2.gz BYYSPTUKKALEBJ-UHFFFAOYSA-N 0 2 339.782 3.236 20 0 EGADLN Cc1ccc(S(=O)(=O)Nc2cccc(NC(=O)C3CC3)c2)s1 ZINC000028251391 453822876 /nfs/dbraw/zinc/82/28/76/453822876.db2.gz GAGZLIKORDDCFR-UHFFFAOYSA-N 0 2 336.438 3.206 20 0 EGADLN CCn1cnnc1-c1cccc(NS(=O)(=O)c2ccc(C)s2)c1 ZINC000032096241 453864019 /nfs/dbraw/zinc/86/40/19/453864019.db2.gz GEDPFTPSGSQSSK-UHFFFAOYSA-N 0 2 348.453 3.136 20 0 EGADLN COc1ccc2[nH]c(=NC(=O)c3ccc(O)c(Cl)c3)sc2c1 ZINC000032719787 453884777 /nfs/dbraw/zinc/88/47/77/453884777.db2.gz FDEVSQYZWGOQMJ-UHFFFAOYSA-N 0 2 334.784 3.338 20 0 EGADLN O=C(Nc1nc(-c2c(F)cccc2F)n[nH]1)c1ccnc(Cl)c1 ZINC000081730980 453906086 /nfs/dbraw/zinc/90/60/86/453906086.db2.gz GVSILIACENLEPN-UHFFFAOYSA-N 0 2 335.701 3.051 20 0 EGADLN C[C@@H](NC(=O)c1cc(Cl)cc(Br)c1O)[C@H]1CCCO1 ZINC000081937623 453918462 /nfs/dbraw/zinc/91/84/62/453918462.db2.gz 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CCOC(=O)Nc1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000055600485 453997950 /nfs/dbraw/zinc/99/79/50/453997950.db2.gz LBGKYFSJFAMHKL-UHFFFAOYSA-N 0 2 326.399 3.117 20 0 EGADLN Cc1noc(C)c1S(=O)(=O)NC(=O)C=Cc1ccccc1Cl ZINC000042291655 454004243 /nfs/dbraw/zinc/00/42/43/454004243.db2.gz VYOLDTQNJLJULV-FPLPWBNLSA-N 0 2 340.788 3.303 20 0 EGADLN O=C(Nc1cccc(-c2nc(=O)o[nH]2)c1)c1c(F)cccc1Cl ZINC000068338474 454018127 /nfs/dbraw/zinc/01/81/27/454018127.db2.gz XIZMWXORJSYVOA-UHFFFAOYSA-N 0 2 333.706 3.487 20 0 EGADLN Cc1noc(C)c1S(=O)(=O)Nc1cc(-c2ccncc2)ccc1C ZINC000069437369 454105835 /nfs/dbraw/zinc/10/58/35/454105835.db2.gz TVLNOVVWLMOCKO-UHFFFAOYSA-N 0 2 343.408 3.463 20 0 EGADLN CCOc1ccc(C(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)cc1 ZINC000057786607 454146357 /nfs/dbraw/zinc/14/63/57/454146357.db2.gz YZDSZWKGGAYSNR-UHFFFAOYSA-N 0 2 325.324 3.093 20 0 EGADLN Cc1cccc([C@@H](C)C(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)c1 ZINC000132440157 454338798 /nfs/dbraw/zinc/33/87/98/454338798.db2.gz VWXMOHZALOENFK-GFCCVEGCSA-N 0 2 341.436 3.055 20 0 EGADLN COc1ccc(F)cc1NS(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000132701157 454359406 /nfs/dbraw/zinc/35/94/06/454359406.db2.gz VPHNYXFRVLDJQX-UHFFFAOYSA-N 0 2 335.278 3.052 20 0 EGADLN Cc1cc(S(=O)(=O)Nc2cccc(C[S@@](C)=O)c2)sc1C ZINC000091017685 454363343 /nfs/dbraw/zinc/36/33/43/454363343.db2.gz HRSSFXDNHLFTLW-FQEVSTJZSA-N 0 2 343.495 3.044 20 0 EGADLN O=S(=O)(Nc1ncccn1)c1csc2ccc(Cl)cc21 ZINC000097048779 454396540 /nfs/dbraw/zinc/39/65/40/454396540.db2.gz WGLAHMQMCIBIAS-UHFFFAOYSA-N 0 2 325.802 3.146 20 0 EGADLN CCC(=O)c1cccc(S(=O)(=O)Nc2cccnc2OC(C)C)c1 ZINC000097272034 454430493 /nfs/dbraw/zinc/43/04/93/454430493.db2.gz PIIDRNIOMLYHPL-UHFFFAOYSA-N 0 2 348.424 3.262 20 0 EGADLN COc1ccc(C(=O)Nc2nc(-c3ccccc3F)n[nH]2)c(F)c1 ZINC000102823990 454521830 /nfs/dbraw/zinc/52/18/30/454521830.db2.gz IEHZISUJZFJTEJ-UHFFFAOYSA-N 0 2 330.294 3.011 20 0 EGADLN O=C(Nc1ccccn1)c1[nH]nc(-c2ccccc2)c1Br ZINC000065106061 454530510 /nfs/dbraw/zinc/53/05/10/454530510.db2.gz CMBDHBWPFZSPDM-UHFFFAOYSA-N 0 2 343.184 3.487 20 0 EGADLN CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccc(-c3nc(=O)o[nH]3)cc2)C1(C)C ZINC000065548264 454589305 /nfs/dbraw/zinc/58/93/05/454589305.db2.gz KRHXKBDSLYCMIX-KBPBESRZSA-N 0 2 327.384 3.207 20 0 EGADLN CC(C)=C[C@H]1[C@H](C(=O)Nc2ccc(-c3nc(=O)o[nH]3)cc2)C1(C)C ZINC000065548260 454589686 /nfs/dbraw/zinc/58/96/86/454589686.db2.gz KRHXKBDSLYCMIX-UONOGXRCSA-N 0 2 327.384 3.207 20 0 EGADLN CCc1ccc(O)c(NS(=O)(=O)c2cccc3cccnc32)c1 ZINC000080580680 454601591 /nfs/dbraw/zinc/60/15/91/454601591.db2.gz BZAAREBLLBOXDK-UHFFFAOYSA-N 0 2 328.393 3.304 20 0 EGADLN CCCc1cc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)n(C)n1 ZINC000092866029 454648195 /nfs/dbraw/zinc/64/81/95/454648195.db2.gz ILMMZRILRQNYDN-UHFFFAOYSA-N 0 2 347.362 3.192 20 0 EGADLN COc1cccc(Oc2ccc(NS(=O)(=O)c3c[nH]cn3)cc2)c1 ZINC000135303606 454660220 /nfs/dbraw/zinc/66/02/20/454660220.db2.gz TYWKKIKMVXUWCH-UHFFFAOYSA-N 0 2 345.380 3.011 20 0 EGADLN O=S(=O)(Nc1nc2ccccc2s1)c1cccc(F)c1F ZINC000066246917 454671674 /nfs/dbraw/zinc/67/16/74/454671674.db2.gz YOUNVALEEHUHOO-UHFFFAOYSA-N 0 2 326.349 3.375 20 0 EGADLN O=C(N[C@@H]1CCOC2(CCCC2)C1)c1cc(F)cc(Cl)c1O ZINC000123936045 454688558 /nfs/dbraw/zinc/68/85/58/454688558.db2.gz VZXZGRXOMCIGHU-LLVKDONJSA-N 0 2 327.783 3.406 20 0 EGADLN Cc1cn(-c2ccccc2)nc1NS(=O)(=O)c1cc(F)cc(F)c1 ZINC000106724184 454714455 /nfs/dbraw/zinc/71/44/55/454714455.db2.gz XAKNHZKSNKYFHJ-UHFFFAOYSA-N 0 2 349.362 3.260 20 0 EGADLN CC[C@H]1CN(C(=O)c2cc(Cl)cc(Br)c2O)CCO1 ZINC000176269099 454721028 /nfs/dbraw/zinc/72/10/28/454721028.db2.gz OBYBIJMQYFGRAG-VIFPVBQESA-N 0 2 348.624 3.059 20 0 EGADLN C[C@H]1CN(C(=O)c2cc(Cl)cc(Br)c2O)CCCO1 ZINC000176287067 454723363 /nfs/dbraw/zinc/72/33/63/454723363.db2.gz DHJMHVAYYAQUNW-QMMMGPOBSA-N 0 2 348.624 3.059 20 0 EGADLN CC(C)OCCS(=O)(=O)Nc1cccc(Cl)c1OC(C)C ZINC000176470301 454749157 /nfs/dbraw/zinc/74/91/57/454749157.db2.gz ATXGSVCVKGSREZ-UHFFFAOYSA-N 0 2 335.853 3.294 20 0 EGADLN CC(=O)c1cccc(S(=O)(=O)Nc2cc(CC(C)(C)C)nn2C)c1 ZINC000108640076 454806140 /nfs/dbraw/zinc/80/61/40/454806140.db2.gz ONWYGNATLMXTGR-UHFFFAOYSA-N 0 2 349.456 3.012 20 0 EGADLN Cc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1C(=O)Nc1ccc(F)cc1 ZINC000139974338 454813726 /nfs/dbraw/zinc/81/37/26/454813726.db2.gz VMQRLIPMLAXQNR-OAHLLOKOSA-N 0 2 345.761 3.457 20 0 EGADLN CC[C@H](NC(=O)c1cc(F)c(O)c(F)c1)c1ccc2c(c1)OCCO2 ZINC000177091865 454822443 /nfs/dbraw/zinc/82/24/43/454822443.db2.gz NKUAHBSLIIPBOO-AWEZNQCLSA-N 0 2 349.333 3.323 20 0 EGADLN O=C(NC[C@H](O)c1ccc2ccccc2c1)c1cc(F)c(O)c(F)c1 ZINC000177156099 454830228 /nfs/dbraw/zinc/83/02/28/454830228.db2.gz QLHCJYDUUNKHFU-KRWDZBQOSA-N 0 2 343.329 3.287 20 0 EGADLN O=S(=O)(Nc1nnc(-c2ccccc2)o1)c1ccc2c(c1)CCC2 ZINC000163205518 454830442 /nfs/dbraw/zinc/83/04/42/454830442.db2.gz VCQCRMMNFUXIQT-UHFFFAOYSA-N 0 2 341.392 3.026 20 0 EGADLN Cc1ccc(S(=O)(=O)Nc2nccc(-c3ccco3)n2)c(Cl)c1 ZINC000163263415 454834788 /nfs/dbraw/zinc/83/47/88/454834788.db2.gz NHFVJKZVTAUBSU-UHFFFAOYSA-N 0 2 349.799 3.499 20 0 EGADLN Cc1cccc2c(=O)c(C(=O)N3CCO[C@H](c4ccco4)C3)c[nH]c12 ZINC000164663361 454887465 /nfs/dbraw/zinc/88/74/65/454887465.db2.gz LXGAGASBXFIYTI-INIZCTEOSA-N 0 2 338.363 3.056 20 0 EGADLN Cc1cccc(C(=O)Nc2ccc3nn[nH]c3c2)c1Br ZINC000127238151 454947859 /nfs/dbraw/zinc/94/78/59/454947859.db2.gz HBBPSQWVUGYVHS-UHFFFAOYSA-N 0 2 331.173 3.281 20 0 EGADLN CCCc1csc(NS(=O)(=O)c2ccccc2OC(F)F)n1 ZINC000127325089 454954406 /nfs/dbraw/zinc/95/44/06/454954406.db2.gz FFFZYLXSBOTIGF-UHFFFAOYSA-N 0 2 348.396 3.498 20 0 EGADLN CC(C)(C)c1cc(NC(=O)c2ccc3[nH]nnc3c2)n(C(C)(C)C)n1 ZINC000170768775 454972774 /nfs/dbraw/zinc/97/27/74/454972774.db2.gz VDZPKSRLHCPGER-UHFFFAOYSA-N 0 2 340.431 3.459 20 0 EGADLN Cc1ccc(-c2nc(CC(=O)NO[C@H]3CCCCO3)cs2)cc1 ZINC000128212249 455035428 /nfs/dbraw/zinc/03/54/28/455035428.db2.gz CNXISUVWLMAHDB-INIZCTEOSA-N 0 2 332.425 3.235 20 0 EGADLN Cc1ccccc1[C@@H](C)CC(=O)Nc1cccc(-c2nc(=O)o[nH]2)c1 ZINC000116015145 455038993 /nfs/dbraw/zinc/03/89/93/455038993.db2.gz JMXTZFNCNBFLNQ-ZDUSSCGKSA-N 0 2 337.379 3.471 20 0 EGADLN C[C@@H]1CN(C)c2ccccc2N(Cc2nc(=O)c3sccc3[nH]2)C1 ZINC000128764285 455081663 /nfs/dbraw/zinc/08/16/63/455081663.db2.gz ILVFDWZIFYMHBK-GFCCVEGCSA-N 0 2 340.452 3.077 20 0 EGADLN COC(=O)c1csc(NS(=O)(=O)c2ccccc2Cl)c1C ZINC000182834173 455174500 /nfs/dbraw/zinc/17/45/00/455174500.db2.gz NOTZRJKEZBEMEB-UHFFFAOYSA-N 0 2 345.829 3.297 20 0 EGADLN COC(=O)c1csc(NS(=O)(=O)c2ccc(C)cc2F)c1C ZINC000182836982 455174931 /nfs/dbraw/zinc/17/49/31/455174931.db2.gz WLVKZCHMYPLSPI-UHFFFAOYSA-N 0 2 343.401 3.091 20 0 EGADLN C[C@@H](C1CC1)n1cc(NC(=O)c2cc(F)c(F)c(O)c2F)cn1 ZINC000189333224 455178678 /nfs/dbraw/zinc/17/86/78/455178678.db2.gz VGVAPDNRXSVQPG-ZETCQYMHSA-N 0 2 325.290 3.229 20 0 EGADLN Cc1ccc(CC(=O)Nc2ccc3nn[nH]c3c2)cc1Br ZINC000189410270 455192090 /nfs/dbraw/zinc/19/20/90/455192090.db2.gz UUCBDECVPOTFTE-UHFFFAOYSA-N 0 2 345.200 3.210 20 0 EGADLN Cc1cc(S(=O)(=O)Nc2cc(CO)ccc2C)sc1Cl ZINC000190299743 455294834 /nfs/dbraw/zinc/29/48/34/455294834.db2.gz CXVKIQPPVCUADQ-UHFFFAOYSA-N 0 2 331.846 3.311 20 0 EGADLN O=S(=O)(Nc1ccc(-c2cc[nH]n2)cc1)c1cccc(F)c1F ZINC000158681073 455321362 /nfs/dbraw/zinc/32/13/62/455321362.db2.gz PKXKXIXSEGZVFN-UHFFFAOYSA-N 0 2 335.335 3.156 20 0 EGADLN C[C@@H](C(F)(F)F)S(=O)(=O)NCC(C)(C)c1ccc(Cl)cc1 ZINC000184248690 455365713 /nfs/dbraw/zinc/36/57/13/455365713.db2.gz MVJAURSGIOEKQO-VIFPVBQESA-N 0 2 343.798 3.488 20 0 EGADLN O=S(=O)(Nc1nnc(-c2ccsc2)s1)c1ccc(F)cc1 ZINC000159909547 455414191 /nfs/dbraw/zinc/41/41/91/455414191.db2.gz RTXOIFMVSJFCMB-UHFFFAOYSA-N 0 2 341.414 3.207 20 0 EGADLN C[C@H](NS(=O)(=O)[C@@H](C)C(F)(F)F)c1ccc2c(c1)CCCC2 ZINC000182347429 455493914 /nfs/dbraw/zinc/49/39/14/455493914.db2.gz WVZXOGLDOIMXPX-QWRGUYRKSA-N 0 2 335.391 3.497 20 0 EGADLN COCCc1ccccc1NS(=O)(=O)c1ccc(Cl)s1 ZINC000191888815 455528752 /nfs/dbraw/zinc/52/87/52/455528752.db2.gz GSAOBBPHBIUHHB-UHFFFAOYSA-N 0 2 331.846 3.391 20 0 EGADLN CCc1cccc(S(=O)(=O)Nc2ncn(C3CCCCC3)n2)c1 ZINC000182565380 455541902 /nfs/dbraw/zinc/54/19/02/455541902.db2.gz FXRSDSFSGMDPOV-UHFFFAOYSA-N 0 2 334.445 3.147 20 0 EGADLN CC(C)(C)CCCNC(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000185435545 455558482 /nfs/dbraw/zinc/55/84/82/455558482.db2.gz HEDCLFWRKGXQPO-UHFFFAOYSA-N 0 2 345.447 3.009 20 0 EGADLN CCCS(=O)(=O)Nc1ncc(Cc2ccc(C)c(F)c2)s1 ZINC000182704579 455572513 /nfs/dbraw/zinc/57/25/13/455572513.db2.gz VKAGVSUMOSTNIP-UHFFFAOYSA-N 0 2 328.434 3.333 20 0 EGADLN CC(C)(NC(=O)C(F)(F)F)c1nc(Cc2cccc(Cl)c2)no1 ZINC000277753428 455655654 /nfs/dbraw/zinc/65/56/54/455655654.db2.gz YVPARZOQVDBGGT-UHFFFAOYSA-N 0 2 347.724 3.227 20 0 EGADLN CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@H](C)c2cnc3ccsc3c2)C1 ZINC000247977874 455665090 /nfs/dbraw/zinc/66/50/90/455665090.db2.gz LOZXCDGDPRFGKH-ZBFHGGJFSA-N 0 2 333.501 3.304 20 0 EGADLN Cn1c2ccccc2nc1[C@@H]1CCCN1C(=O)[C@@H](F)C(F)(F)F ZINC000277808076 455672420 /nfs/dbraw/zinc/67/24/20/455672420.db2.gz WEUUNRQQUPLSKU-NWDGAFQWSA-N 0 2 329.297 3.137 20 0 EGADLN Cn1c2ccccc2nc1[C@@H]1CCCN1C(=O)C(F)C(F)(F)F ZINC000277808076 455672425 /nfs/dbraw/zinc/67/24/25/455672425.db2.gz WEUUNRQQUPLSKU-NWDGAFQWSA-N 0 2 329.297 3.137 20 0 EGADLN CC(=O)c1cccc(S(=O)(=O)Nc2nc3c(s2)CCCC3)c1 ZINC000192736079 455682385 /nfs/dbraw/zinc/68/23/85/455682385.db2.gz NLGOKNGNXQYAOF-UHFFFAOYSA-N 0 2 336.438 3.025 20 0 EGADLN O=C(c1cc(F)cc(Cl)c1O)N1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000292527619 455687449 /nfs/dbraw/zinc/68/74/49/455687449.db2.gz LQBRNRMNJKSDNX-DZGCQCFKSA-N 0 2 339.794 3.358 20 0 EGADLN Fc1ccc([C@@H]2CC[C@@H]([NH2+][C@@H](c3nnc[nH]3)c3cccnc3)C2)cc1 ZINC000285107040 455790017 /nfs/dbraw/zinc/79/00/17/455790017.db2.gz KOKLKQUCDUJSFG-ZTFGCOKTSA-N 0 2 337.402 3.354 20 0 EGADLN Cc1cccc(C=CC(=O)NCc2nnc(COc3ccccc3)[nH]2)c1 ZINC000186649292 455811297 /nfs/dbraw/zinc/81/12/97/455811297.db2.gz FKCDPGCBAIXDEU-ZHACJKMWSA-N 0 2 348.406 3.022 20 0 EGADLN C[C@H](CC(=O)c1ccc(F)cc1)NC(=O)c1cc(F)c(O)c(F)c1 ZINC000186870714 455845186 /nfs/dbraw/zinc/84/51/86/455845186.db2.gz 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C[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N(C)c1ccccc1C(=O)[O-] ZINC001594671970 986988937 /nfs/dbraw/zinc/98/89/37/986988937.db2.gz ZZMUSVZYXPNPMY-GFCCVEGCSA-N 0 2 344.436 3.028 20 0 EGADLN CCc1nc(C[N@H+](C)Cc2ccc(C3(C(=O)[O-])CC3)cc2)cs1 ZINC001597667892 988752539 /nfs/dbraw/zinc/75/25/39/988752539.db2.gz ZMWDBGFRGUIDTB-UHFFFAOYSA-N 0 2 330.453 3.454 20 0 EGADLN CCc1nc(C[N@@H+](C)Cc2ccc(C3(C(=O)[O-])CC3)cc2)cs1 ZINC001597667892 988752549 /nfs/dbraw/zinc/75/25/49/988752549.db2.gz ZMWDBGFRGUIDTB-UHFFFAOYSA-N 0 2 330.453 3.454 20 0 EGADLN CC(C)(C)OC(=O)[C@H]1CCCC[N@@H+]1Cc1cc(C(=O)[O-])cs1 ZINC001590344277 989796087 /nfs/dbraw/zinc/79/60/87/989796087.db2.gz ZHFJTEFERXXARI-CYBMUJFWSA-N 0 2 325.430 3.143 20 0 EGADLN CC(C)(C)OC(=O)[C@H]1CCCC[N@H+]1Cc1cc(C(=O)[O-])cs1 ZINC001590344277 989796096 /nfs/dbraw/zinc/79/60/96/989796096.db2.gz ZHFJTEFERXXARI-CYBMUJFWSA-N 0 2 325.430 3.143 20 0 EGADLN CN(Cc1ccc(F)cc1Br)c1ccc(C(=O)[O-])c[nH+]1 ZINC001598518630 992650557 /nfs/dbraw/zinc/65/05/57/992650557.db2.gz 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OWBVIFJXXHHPMQ-UHFFFAOYSA-N 0 2 338.367 3.137 20 0 EGADLN COC(=O)c1cccc(Cl)c1S(=O)(=O)Nc1cccc(C)c1 ZINC000556346355 315429948 /nfs/dbraw/zinc/42/99/48/315429948.db2.gz FGRRSFDHKUYURI-UHFFFAOYSA-N 0 2 339.800 3.236 20 0 EGADLN CCOC1(CNC(=O)N=c2ccc(-c3ccccc3)n[nH]2)CCCC1 ZINC000556597644 315445056 /nfs/dbraw/zinc/44/50/56/315445056.db2.gz WUAFNGOKMOVDPI-UHFFFAOYSA-N 0 2 340.427 3.036 20 0 EGADLN O=C(N=c1nc(-c2cccnc2)[nH]s1)[C@@H]1CCCC[C@H]1C1CC1 ZINC000563165043 315967860 /nfs/dbraw/zinc/96/78/60/315967860.db2.gz KHPIQWWPFUXLKU-UONOGXRCSA-N 0 2 328.441 3.177 20 0 EGADLN C/C=C/c1ccc(NS(=O)(=O)c2cc(C(=O)OC)cs2)cc1 ZINC000563911532 316089664 /nfs/dbraw/zinc/08/96/64/316089664.db2.gz VRFZWLXQEOZPRJ-ONEGZZNKSA-N 0 2 337.422 3.369 20 0 EGADLN Cc1csc(S(=O)(=O)Nc2ccccc2O[C@H]2CCOC2)c1 ZINC000564412446 316147958 /nfs/dbraw/zinc/14/79/58/316147958.db2.gz ZEKMVKVDXIMCQQ-LBPRGKRZSA-N 0 2 339.438 3.025 20 0 EGADLN Cn1c2ccc(N=c3[n-]nc(C(F)(F)F)s3)cc2[nH+]c1C1CC1 ZINC000565068035 316260175 /nfs/dbraw/zinc/26/01/75/316260175.db2.gz YFSSAXQQBLJBFK-UHFFFAOYSA-N 0 2 339.346 3.487 20 0 EGADLN CCc1ccc(S(=O)(=O)Nc2cc(C3CC3)n(C)n2)cc1CC ZINC000565086774 316263088 /nfs/dbraw/zinc/26/30/88/316263088.db2.gz FPUDHVMZLRHRRR-UHFFFAOYSA-N 0 2 333.457 3.223 20 0 EGADLN C[C@H]1C[N@H+](Cc2csc(-c3cccc(C(=O)[O-])c3)n2)CCS1 ZINC000565103084 316266048 /nfs/dbraw/zinc/26/60/48/316266048.db2.gz MGMIZRPQBUISHQ-NSHDSACASA-N 0 2 334.466 3.446 20 0 EGADLN C[C@H]1C[N@@H+](Cc2csc(-c3cccc(C(=O)[O-])c3)n2)CCS1 ZINC000565103084 316266052 /nfs/dbraw/zinc/26/60/52/316266052.db2.gz MGMIZRPQBUISHQ-NSHDSACASA-N 0 2 334.466 3.446 20 0 EGADLN Cc1cccc([C@H]2CCC[N@@H+]2Cc2noc(CCCC(=O)[O-])n2)c1C ZINC000565102723 316266176 /nfs/dbraw/zinc/26/61/76/316266176.db2.gz BRQSXDVBRWOWOR-MRXNPFEDSA-N 0 2 343.427 3.431 20 0 EGADLN Cc1cccc([C@H]2CCC[N@H+]2Cc2noc(CCCC(=O)[O-])n2)c1C ZINC000565102723 316266179 /nfs/dbraw/zinc/26/61/79/316266179.db2.gz BRQSXDVBRWOWOR-MRXNPFEDSA-N 0 2 343.427 3.431 20 0 EGADLN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000565200537 316289595 /nfs/dbraw/zinc/28/95/95/316289595.db2.gz GSBOJDYPCWICQY-YABSGUDNSA-N 0 2 328.416 3.497 20 0 EGADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)NC[C@@H]1CC12CC2 ZINC000565646614 316351183 /nfs/dbraw/zinc/35/11/83/316351183.db2.gz GTVMJMMFEWXJEH-JTQLQIEISA-N 0 2 334.832 3.202 20 0 EGADLN Cn1c[nH+]cc1CCCSc1n[n-]c(=NC2CCCCC2)s1 ZINC000570649375 317086852 /nfs/dbraw/zinc/08/68/52/317086852.db2.gz OHFAICSRSNGKDB-UHFFFAOYSA-N 0 2 337.518 3.163 20 0 EGADLN C[C@H]1C[C@H]1c1ccc(CNC(=O)C2=NN(c3ccccc3)CC2=O)o1 ZINC000571829125 317253677 /nfs/dbraw/zinc/25/36/77/317253677.db2.gz LVWUCRFJCDWGGT-SWLSCSKDSA-N 0 2 337.379 3.224 20 0 EGADLN C[C@@H]1C[N@H+](Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)[C@@H](C)CO1 ZINC000571928771 317267352 /nfs/dbraw/zinc/26/73/52/317267352.db2.gz FDDFUEIJPAGYIB-NWDGAFQWSA-N 0 2 332.425 3.118 20 0 EGADLN C[C@@H]1C[N@@H+](Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)[C@@H](C)CO1 ZINC000571928771 317267355 /nfs/dbraw/zinc/26/73/55/317267355.db2.gz FDDFUEIJPAGYIB-NWDGAFQWSA-N 0 2 332.425 3.118 20 0 EGADLN O=C([O-])[C@H]1CC[C@@H](c2ccccc2)[N@@H+]1Cc1cn2ccsc2n1 ZINC000572497929 317348312 /nfs/dbraw/zinc/34/83/12/317348312.db2.gz CITHMMVJDGCQLD-LSDHHAIUSA-N 0 2 327.409 3.186 20 0 EGADLN O=C([O-])[C@H]1CC[C@@H](c2ccccc2)[N@H+]1Cc1cn2ccsc2n1 ZINC000572497929 317348315 /nfs/dbraw/zinc/34/83/15/317348315.db2.gz CITHMMVJDGCQLD-LSDHHAIUSA-N 0 2 327.409 3.186 20 0 EGADLN COc1cc(C)ccc1NS(=O)(=O)c1cc(F)c(F)cc1F ZINC000170933132 455001502 /nfs/dbraw/zinc/00/15/02/455001502.db2.gz BDZPLXNTIFQCFR-UHFFFAOYSA-N 0 2 331.315 3.222 20 0 EGADLN Cc1csc(NS(=O)(=O)c2ccc(CC(F)(F)F)cc2)n1 ZINC000191739035 455515629 /nfs/dbraw/zinc/51/56/29/455515629.db2.gz NWADTSFVJXRLJB-UHFFFAOYSA-N 0 2 336.360 3.357 20 0 EGADLN CCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cn2)c(C)c1 ZINC000171771679 323251470 /nfs/dbraw/zinc/25/14/70/323251470.db2.gz IHBJLXGDDZSMGR-UHFFFAOYSA-N 0 2 326.805 3.243 20 0 EGADLN O=C(Nc1ccc(-c2nc(=O)o[nH]2)cc1)c1cc2cc(F)ccc2o1 ZINC000172067805 323268684 /nfs/dbraw/zinc/26/86/84/323268684.db2.gz UCCGLNXWMGXZIU-UHFFFAOYSA-N 0 2 339.282 3.168 20 0 EGADLN CN(CCCc1ccccc1)C(=O)C1=NN(c2ccccc2)CC1=O ZINC000175456943 323318781 /nfs/dbraw/zinc/31/87/81/323318781.db2.gz LCQVNQXRLCTVHI-UHFFFAOYSA-N 0 2 335.407 3.283 20 0 EGADLN CCCc1cnc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)s1 ZINC000183203954 323600442 /nfs/dbraw/zinc/60/04/42/323600442.db2.gz CGPTTXLMAJMOLB-UHFFFAOYSA-N 0 2 348.453 3.082 20 0 EGADLN COc1cc(CNC(=O)c2cc(F)c(F)c(O)c2F)ccc1C ZINC000185432206 323701108 /nfs/dbraw/zinc/70/11/08/323701108.db2.gz TWYSCMRBUPSVDA-UHFFFAOYSA-N 0 2 325.286 3.057 20 0 EGADLN O=C(Nc1ccc(-c2nc(=O)o[nH]2)cc1)c1cc2ccccc2s1 ZINC000195075509 323877342 /nfs/dbraw/zinc/87/73/42/323877342.db2.gz NHBVPBOTPXMNJO-UHFFFAOYSA-N 0 2 337.360 3.497 20 0 EGADLN Oc1c(Br)cccc1-c1nc(Cc2ccccn2)no1 ZINC000580641574 325277403 /nfs/dbraw/zinc/27/74/03/325277403.db2.gz PMPVPEXVOQPHTO-UHFFFAOYSA-N 0 2 332.157 3.191 20 0 EGADLN CC[C@H]1CCCC[C@H]1CNC(=O)c1cn[nH]c1-c1cnn(CC)c1 ZINC000581648908 325378832 /nfs/dbraw/zinc/37/88/32/325378832.db2.gz GTOSOGDDOZTZEY-KBPBESRZSA-N 0 2 329.448 3.239 20 0 EGADLN CC(C)Cc1cc(NS(=O)(=O)c2ccc(C(F)F)cc2)[nH]n1 ZINC000342454572 457312813 /nfs/dbraw/zinc/31/28/13/457312813.db2.gz UQYUVDSWEYLCAR-UHFFFAOYSA-N 0 2 329.372 3.347 20 0 EGADLN C[C@H](NC(=O)c1cccc2[nH]nnc21)c1ccc(Br)cc1 ZINC000189572189 455219768 /nfs/dbraw/zinc/21/97/68/455219768.db2.gz RCDWMDZLEOTXNU-VIFPVBQESA-N 0 2 345.200 3.211 20 0 EGADLN O=C(Nc1ccc(F)cn1)c1cc(F)cc(Br)c1O ZINC000436486272 458311544 /nfs/dbraw/zinc/31/15/44/458311544.db2.gz JGVTUGAANZHSFV-UHFFFAOYSA-N 0 2 329.100 3.080 20 0 EGADLN COc1cc(F)c(NC(=O)c2cc(F)c(F)c(O)c2F)cc1F ZINC000183178965 455244739 /nfs/dbraw/zinc/24/47/39/455244739.db2.gz FTFOMNOFNNLLPZ-UHFFFAOYSA-N 0 2 333.212 3.349 20 0 EGADLN CCc1[nH+]c2cc(CNC(=O)C[C@@H](C)CC(=O)[O-])ccc2n1C1CC1 ZINC000634834921 460548973 /nfs/dbraw/zinc/54/89/73/460548973.db2.gz 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/nfs/dbraw/zinc/03/06/74/454030674.db2.gz XRQWJLWEDIDYTI-UHFFFAOYSA-N 0 2 337.335 3.044 20 0 EGADLN O=S(=O)(Nc1cccc(Cl)c1O)c1cccc2cccnc21 ZINC000076937858 454050468 /nfs/dbraw/zinc/05/04/68/454050468.db2.gz VHBYLZFYUPMPQZ-UHFFFAOYSA-N 0 2 334.784 3.395 20 0 EGADLN Cc1c(F)cccc1S(=O)(=O)Nc1cnn(-c2ccccc2F)c1 ZINC000088547662 454111718 /nfs/dbraw/zinc/11/17/18/454111718.db2.gz CABVDKHJTMFKQD-UHFFFAOYSA-N 0 2 349.362 3.260 20 0 EGADLN C[C@@H](Cc1ccccc1F)C(=O)Nc1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000078103316 454193075 /nfs/dbraw/zinc/19/30/75/454193075.db2.gz BLKGSWIDKPENPQ-NSHDSACASA-N 0 2 341.342 3.399 20 0 EGADLN O=S(=O)(Nc1ccc(-c2ccccc2)nn1)c1cccc(F)c1 ZINC000191033647 455429203 /nfs/dbraw/zinc/42/92/03/455429203.db2.gz WPHIILGRYFWLRB-UHFFFAOYSA-N 0 2 329.356 3.084 20 0 EGADLN O=C(Cc1ccc(F)c(F)c1)Nc1nc(-c2ccccc2F)n[nH]1 ZINC000131099368 454235099 /nfs/dbraw/zinc/23/50/99/454235099.db2.gz VQDMGXCATQSFRO-UHFFFAOYSA-N 0 2 332.285 3.070 20 0 EGADLN Cc1cc(S(=O)(=O)Nc2cnn(Cc3ccccc3)c2)sc1C 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/nfs/dbraw/zinc/29/46/51/312294651.db2.gz JEPOLAGRVCGXJF-UHFFFAOYSA-N 0 2 339.420 3.261 20 0 EGADLN Cc1nc(=NC(=O)N[C@H](CCc2ccccc2)c2ccccc2)[nH]n1C ZINC000516723261 312339334 /nfs/dbraw/zinc/33/93/34/312339334.db2.gz QMRHEEMIBWCMIT-GOSISDBHSA-N 0 2 349.438 3.041 20 0 EGADLN Oc1c(Br)cccc1-c1nc(Cc2ccncc2)no1 ZINC000516919270 312350359 /nfs/dbraw/zinc/35/03/59/312350359.db2.gz BPYUGVSWJHAFLH-UHFFFAOYSA-N 0 2 332.157 3.191 20 0 EGADLN Cc1oc(C[N@@H+]2CCO[C@H](c3ccc(F)c(C)c3)C2)cc1C(=O)[O-] ZINC000516932372 312352128 /nfs/dbraw/zinc/35/21/28/312352128.db2.gz LYXMBWZNPRQICR-KRWDZBQOSA-N 0 2 333.359 3.307 20 0 EGADLN Cc1oc(C[N@H+]2CCO[C@H](c3ccc(F)c(C)c3)C2)cc1C(=O)[O-] ZINC000516932372 312352131 /nfs/dbraw/zinc/35/21/31/312352131.db2.gz LYXMBWZNPRQICR-KRWDZBQOSA-N 0 2 333.359 3.307 20 0 EGADLN CC(C)(C)c1nc(=NC(=O)N[C@H]2C[C@H](c3ccccc3)C2)s[nH]1 ZINC000517214012 312368521 /nfs/dbraw/zinc/36/85/21/312368521.db2.gz HJCFWYKLEUUEPL-JOCQHMNTSA-N 0 2 330.457 3.325 20 0 EGADLN Cc1cccc2c(=O)c(C(=O)N3CC(C)(C)[C@@H]3c3cccnc3)c[nH]c12 ZINC000517858231 312395505 /nfs/dbraw/zinc/39/55/05/312395505.db2.gz BHNSVGBYZZTZIG-IBGZPJMESA-N 0 2 347.418 3.455 20 0 EGADLN COc1cccc2c1[nH+]cc(C(=O)[O-])c2N1CCC(C(F)F)CC1 ZINC000521441372 312546599 /nfs/dbraw/zinc/54/65/99/312546599.db2.gz NJMLZYXWULFTGE-UHFFFAOYSA-N 0 2 336.338 3.423 20 0 EGADLN CC(C)(C)c1nc(=NC(=O)N[C@H](Cc2ccccc2)C2CC2)s[nH]1 ZINC000523024326 312608150 /nfs/dbraw/zinc/60/81/50/312608150.db2.gz AFBRWENHDXLYPT-CQSZACIVSA-N 0 2 344.484 3.400 20 0 EGADLN Cc1cc(=NC(=O)[C@H]2C[C@@H]2c2cccc(Br)c2)[nH]nc1C ZINC000524489217 312661363 /nfs/dbraw/zinc/66/13/63/312661363.db2.gz YJWFGCMHJHIGBI-KGLIPLIRSA-N 0 2 346.228 3.020 20 0 EGADLN CC(C)(C)c1nc(=NC(=O)NCCc2cc3ccccc3o2)s[nH]1 ZINC000525344766 312720649 /nfs/dbraw/zinc/72/06/49/312720649.db2.gz ZAOHGQYIPDXZAL-UHFFFAOYSA-N 0 2 344.440 3.368 20 0 EGADLN COc1ccccc1S(=O)(=O)Nc1cccc(Cl)c1OC ZINC000057123424 454103722 /nfs/dbraw/zinc/10/37/22/454103722.db2.gz 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/nfs/dbraw/zinc/18/28/29/314182829.db2.gz PVOOUUJLWXTNSW-UHFFFAOYSA-N 0 2 329.350 3.115 20 0 EGADLN COCc1ccc(S(=O)(=O)Nc2ncc(C(C)(C)C)s2)cc1 ZINC000539234523 314302135 /nfs/dbraw/zinc/30/21/35/314302135.db2.gz HOYCHRXMSPYNDS-UHFFFAOYSA-N 0 2 340.470 3.388 20 0 EGADLN Cc1nc(=Nc2cccc(COCC(F)(F)C(F)F)c2)s[nH]1 ZINC000539992508 314356510 /nfs/dbraw/zinc/35/65/10/314356510.db2.gz CALXHODIHQFKGD-UHFFFAOYSA-N 0 2 335.326 3.429 20 0 EGADLN C[C@]1(CN=c2[nH]nc(Cc3ccc(F)cc3)s2)CCO[C@@H]1C1CC1 ZINC000545220058 314743734 /nfs/dbraw/zinc/74/37/34/314743734.db2.gz YAUBIFRBYMHIKU-SJLPKXTDSA-N 0 2 347.459 3.307 20 0 EGADLN CCC[C@@H]1C[C@H](C(=O)Nc2cc(-c3n[nH]c(=O)[nH]3)ccc2C)CCO1 ZINC000549849297 315107664 /nfs/dbraw/zinc/10/76/64/315107664.db2.gz KHJJFVAXBSVZFE-ZIAGYGMSSA-N 0 2 344.415 3.020 20 0 EGADLN O=S(=O)(Nc1cccc2c1CCO2)c1c(Cl)ccc(F)c1F ZINC000551474024 315155366 /nfs/dbraw/zinc/15/53/66/315155366.db2.gz JBWIZTBDGDAZIF-UHFFFAOYSA-N 0 2 345.754 3.354 20 0 EGADLN CC(C)CCc1nnc(NS(=O)(=O)c2cnc3ccccc3c2)o1 ZINC000554672774 315342289 /nfs/dbraw/zinc/34/22/89/315342289.db2.gz WONJPMLSFYVQBP-UHFFFAOYSA-N 0 2 346.412 3.007 20 0 EGADLN COc1ccc(NS(=O)(=O)c2cc(C(C)C)ccc2Cl)nn1 ZINC000556304085 315428089 /nfs/dbraw/zinc/42/80/89/315428089.db2.gz GEYWXFJNHCBIFE-UHFFFAOYSA-N 0 2 341.820 3.063 20 0 EGADLN CCc1ccc([NH+]=c2[n-]nc([C@H]3CCCO3)n2C(C)C)cc1OC ZINC000556464403 315437296 /nfs/dbraw/zinc/43/72/96/315437296.db2.gz QRJSJJVZCZDUSO-OAHLLOKOSA-N 0 2 330.432 3.447 20 0 EGADLN O=S(=O)(CCC1Cc2ccccc2C1)N[C@H](C1CC1)C(F)(F)F ZINC000562005641 315794616 /nfs/dbraw/zinc/79/46/16/315794616.db2.gz NVRQCFCHRWITDY-OAHLLOKOSA-N 0 2 347.402 3.052 20 0 EGADLN COc1c(C)cc(S(=O)(=O)Nc2nc(C3CC3)c(C)o2)cc1C ZINC000562706691 315882793 /nfs/dbraw/zinc/88/27/93/315882793.db2.gz FMHHTSNOLVPBPK-UHFFFAOYSA-N 0 2 336.413 3.287 20 0 EGADLN COc1cc(C)c(S(=O)(=O)Nc2c[nH]nc2C2CC2)cc1Cl ZINC000563431495 316021320 /nfs/dbraw/zinc/02/13/20/316021320.db2.gz HSXIFPBDXZYFCT-UHFFFAOYSA-N 0 2 341.820 3.058 20 0 EGADLN O=C1CCCN1c1cccc(CNc2nc(C3CCCC3)ns2)c1 ZINC000563831677 316076850 /nfs/dbraw/zinc/07/68/50/316076850.db2.gz PAMKFKXFESEMJI-UHFFFAOYSA-N 0 2 342.468 3.357 20 0 EGADLN C[C@H](Nc1cc(N2CCC[C@H](C)C2)nc[nH+]1)c1ncc(C(=O)[O-])s1 ZINC000565040979 316254247 /nfs/dbraw/zinc/25/42/47/316254247.db2.gz IHIRDYFCIFSLLL-QWRGUYRKSA-N 0 2 347.444 3.041 20 0 EGADLN C[C@H](Nc1cc(N2CCC[C@H](C)C2)[nH+]cn1)c1ncc(C(=O)[O-])s1 ZINC000565040979 316254249 /nfs/dbraw/zinc/25/42/49/316254249.db2.gz IHIRDYFCIFSLLL-QWRGUYRKSA-N 0 2 347.444 3.041 20 0 EGADLN C[C@@H]1CO[C@@H](c2cccc(Cl)c2)C[N@@H+]1Cc1ccc(C(=O)[O-])cn1 ZINC000565103549 316266211 /nfs/dbraw/zinc/26/62/11/316266211.db2.gz GLIGJRFTPZJRHA-SJKOYZFVSA-N 0 2 346.814 3.395 20 0 EGADLN C[C@@H]1CO[C@@H](c2cccc(Cl)c2)C[N@H+]1Cc1ccc(C(=O)[O-])cn1 ZINC000565103549 316266212 /nfs/dbraw/zinc/26/62/12/316266212.db2.gz GLIGJRFTPZJRHA-SJKOYZFVSA-N 0 2 346.814 3.395 20 0 EGADLN CCc1ncc(S(=O)(=O)Nc2nc(C(C)C)c(C)s2)s1 ZINC000566491492 316487011 /nfs/dbraw/zinc/48/70/11/316487011.db2.gz SSUQMMINLOWQNG-UHFFFAOYSA-N 0 2 331.488 3.395 20 0 EGADLN CC(C)c1nnc(NS(=O)(=O)c2ccccc2C(F)(F)F)o1 ZINC000163232535 454832520 /nfs/dbraw/zinc/83/25/20/454832520.db2.gz GENFJYQJJRZNMJ-UHFFFAOYSA-N 0 2 335.307 3.013 20 0 EGADLN Cc1cc(C2CC2)nc(NS(=O)(=O)c2sccc2Cl)n1 ZINC000569796409 316964953 /nfs/dbraw/zinc/96/49/53/316964953.db2.gz NWJIIHHWGVQZHB-UHFFFAOYSA-N 0 2 329.834 3.178 20 0 EGADLN C[C@@H]1C[C@@H]1c1ccc(CNC(=O)C2=NN(c3ccccc3)CC2=O)o1 ZINC000571829121 317253409 /nfs/dbraw/zinc/25/34/09/317253409.db2.gz LVWUCRFJCDWGGT-DOMZBBRYSA-N 0 2 337.379 3.224 20 0 EGADLN O=C(Nc1nc(-c2ccccc2F)n[nH]1)[C@H]1CC12CCSCC2 ZINC000572233180 317309263 /nfs/dbraw/zinc/30/92/63/317309263.db2.gz BVQBUIZVVODRAE-LLVKDONJSA-N 0 2 332.404 3.083 20 0 EGADLN CCc1ccsc1C(=O)Nc1cc(-c2n[nH]c(=O)[nH]2)ccc1C ZINC000572306767 317318866 /nfs/dbraw/zinc/31/88/66/317318866.db2.gz NRLTYHLQPMCICL-UHFFFAOYSA-N 0 2 328.397 3.362 20 0 EGADLN CC(C)(C)Cc1nnc(NS(=O)(=O)c2cc3ccccc3o2)o1 ZINC000572945265 317413936 /nfs/dbraw/zinc/41/39/36/317413936.db2.gz QGTCXOCCXOKVMX-UHFFFAOYSA-N 0 2 335.385 3.205 20 0 EGADLN O=S(=O)(NCC(F)(F)F)c1c(Cl)cc(Cl)cc1Cl ZINC000572989973 317422027 /nfs/dbraw/zinc/42/20/27/317422027.db2.gz FOQQALWUBBDZSC-UHFFFAOYSA-N 0 2 342.553 3.487 20 0 EGADLN C[C@H](CC(=O)N[C@H](CCC(=O)[O-])CC1CCCCC1)n1cc[nH+]c1 ZINC000573213159 317453859 /nfs/dbraw/zinc/45/38/59/317453859.db2.gz ZKENUPKOJBVCCW-GDBMZVCRSA-N 0 2 335.448 3.154 20 0 EGADLN Cc1c2ccc3ccccc3c2oc1C(=O)N=c1nc2n([nH]1)CCCC2 ZINC000573922745 317542637 /nfs/dbraw/zinc/54/26/37/317542637.db2.gz NHSQMJOVKDVOOF-UHFFFAOYSA-N 0 2 346.390 3.496 20 0 EGADLN CN(C)c1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)nc1 ZINC000172213041 455135283 /nfs/dbraw/zinc/13/52/83/455135283.db2.gz RHZQSZXYZRKCPI-UHFFFAOYSA-N 0 2 346.239 3.255 20 0 EGADLN CCCCCc1nnc(NS(=O)(=O)Cc2ccccc2)s1 ZINC000006361862 323211311 /nfs/dbraw/zinc/21/13/11/323211311.db2.gz INCWFHPARZKKBP-UHFFFAOYSA-N 0 2 325.459 3.213 20 0 EGADLN Cc1ccc(S(=O)(=O)Nc2ncccc2OC(F)F)cc1C ZINC000171772613 323251555 /nfs/dbraw/zinc/25/15/55/323251555.db2.gz POEUHXNGBBGDSO-UHFFFAOYSA-N 0 2 328.340 3.101 20 0 EGADLN O=C(N[C@@H]1CCO[C@@H]1c1ccccc1)c1cc(F)c(F)c(O)c1F ZINC000183013729 323588285 /nfs/dbraw/zinc/58/82/85/323588285.db2.gz RXRRZJNRUADCJY-MLGOLLRUSA-N 0 2 337.297 3.070 20 0 EGADLN C[C@@H](C(F)(F)F)S(=O)(=O)N[C@@H]1c2cccc(F)c2CC[C@H]1C ZINC000184645093 323668633 /nfs/dbraw/zinc/66/86/33/323668633.db2.gz FNCUJRLHWWDXPI-ZDMBXUJBSA-N 0 2 339.354 3.319 20 0 EGADLN Cc1ccc(S(=O)(=O)Nc2cc(C(C)C)n[nH]2)c2cccnc12 ZINC000391289718 324286610 /nfs/dbraw/zinc/28/66/10/324286610.db2.gz OQZFPMQDEGINGZ-UHFFFAOYSA-N 0 2 330.413 3.191 20 0 EGADLN CCc1cc(C2CC2)nc(NS(=O)(=O)c2cc(C)ccc2OC)n1 ZINC000578748825 325012481 /nfs/dbraw/zinc/01/24/81/325012481.db2.gz FWVPPZNWBAPEBF-UHFFFAOYSA-N 0 2 347.440 3.034 20 0 EGADLN O=C(Nc1nc(-c2ccc(Cl)cc2)n[nH]1)c1ocnc1C1CC1 ZINC000579040991 325053844 /nfs/dbraw/zinc/05/38/44/325053844.db2.gz 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CC(C)(C)C1CCC(=CC(=O)N2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)CC1 ZINC000819716605 1319777041 /nfs/dbraw/zinc/77/70/41/1319777041.db2.gz SUAISRVSRYSCAP-GICMACPYSA-N 0 2 346.475 3.379 20 0 EGADLN CC(C)c1cccc(OS(=O)(=O)c2c[nH]nc2C(F)(F)F)c1 ZINC000820774158 1319951569 /nfs/dbraw/zinc/95/15/69/1319951569.db2.gz VYBUAYJUMVTJAE-UHFFFAOYSA-N 0 2 334.319 3.320 20 0 EGADLN CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc2oc(=S)[n-]c2c1 ZINC000823310335 1320169889 /nfs/dbraw/zinc/16/98/89/1320169889.db2.gz BOSSDEOIPFJEPV-AWEZNQCLSA-N 0 2 344.440 3.158 20 0 EGADLN CCC[C@@H](CC1CCCCC1)C(=O)NCCc1n[nH]c(=S)o1 ZINC000841427411 1321271241 /nfs/dbraw/zinc/27/12/41/1321271241.db2.gz WCSCSTLVBVROAR-ZDUSSCGKSA-N 0 2 325.478 3.404 20 0 EGADLN CCCCCCOc1ccc(C(=O)NCCc2n[nH]c(=S)o2)cc1 ZINC000841426906 1321271331 /nfs/dbraw/zinc/27/13/31/1321271331.db2.gz SRSHMMLVVWSAKI-UHFFFAOYSA-N 0 2 349.456 3.290 20 0 EGADLN CCCONC(=O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O ZINC000844086616 1321570936 /nfs/dbraw/zinc/57/09/36/1321570936.db2.gz 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Cc1nn(-c2ccccc2)cc1C[N@H+](C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001353898904 962669324 /nfs/dbraw/zinc/66/93/24/962669324.db2.gz AFUHKDDLNORNBD-UHFFFAOYSA-N 0 2 339.395 3.412 20 0 EGADLN Cc1nn(-c2ccccc2)cc1C[N@@H+](C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001353898904 962669341 /nfs/dbraw/zinc/66/93/41/962669341.db2.gz AFUHKDDLNORNBD-UHFFFAOYSA-N 0 2 339.395 3.412 20 0 EGADLN C[C@@]([NH2+]Cc1cnc([C@H]2CCCO2)s1)(C(=O)[O-])c1ccccc1 ZINC001353909327 962671114 /nfs/dbraw/zinc/67/11/14/962671114.db2.gz ARDVFPHLUWNOJA-PBHICJAKSA-N 0 2 332.425 3.084 20 0 EGADLN O=C([O-])[C@@H]1C[C@H]([NH2+][C@@H](c2ncc[nH]2)c2ccccc2)c2ccccc21 ZINC001605983630 973022861 /nfs/dbraw/zinc/02/28/61/973022861.db2.gz KPQKNXHQCBTSQK-FGTMMUONSA-N 0 2 333.391 3.402 20 0 EGADLN Cc1cccc([C@@H]([NH2+]CC(=O)Nc2ccccc2Cl)C(=O)[O-])c1 ZINC001605328777 973188449 /nfs/dbraw/zinc/18/84/49/973188449.db2.gz DHDYHAZGFMYCQS-MRXNPFEDSA-N 0 2 332.787 3.002 20 0 EGADLN CCOC(=O)[C@@H](c1cccc(Cl)c1)[N@@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC001603786566 974243556 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3.234 20 0 EGADLN CC[C@H](c1ccccc1)[N@@H+](CC(=O)[O-])Cc1cnc([C@@H](C)O)s1 ZINC001595362607 980772590 /nfs/dbraw/zinc/77/25/90/980772590.db2.gz LATAILXDIODHTF-IUODEOHRSA-N 0 2 334.441 3.234 20 0 EGADLN CC[NH+](CC)Cc1csc(NC(=O)c2ccc(C)c(C(=O)[O-])c2)n1 ZINC001596277320 983698310 /nfs/dbraw/zinc/69/83/10/983698310.db2.gz GUBBZDYXIPGGGM-UHFFFAOYSA-N 0 2 347.440 3.244 20 0 EGADLN C[C@@H]1C[N@H+](Cc2c(Br)cccc2C(=O)[O-])[C@@H](C)[C@@H](C)O1 ZINC001594538192 986164413 /nfs/dbraw/zinc/16/44/13/986164413.db2.gz YIQYTWBQMDMALB-OUAUKWLOSA-N 0 2 342.233 3.145 20 0 EGADLN C[C@@H]1C[N@@H+](Cc2c(Br)cccc2C(=O)[O-])[C@@H](C)[C@@H](C)O1 ZINC001594538192 986164416 /nfs/dbraw/zinc/16/44/16/986164416.db2.gz YIQYTWBQMDMALB-OUAUKWLOSA-N 0 2 342.233 3.145 20 0 EGADLN C[C@@H](C(=O)[O-])c1ccc(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC001589507638 987124894 /nfs/dbraw/zinc/12/48/94/987124894.db2.gz BTCGFFFOQASYPE-GFCCVEGCSA-N 0 2 342.399 3.009 20 0 EGADLN C[C@@H](C(=O)[O-])c1ccc(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1 ZINC001589507638 987124898 /nfs/dbraw/zinc/12/48/98/987124898.db2.gz BTCGFFFOQASYPE-GFCCVEGCSA-N 0 2 342.399 3.009 20 0 EGADLN C[C@H](C(=O)OC(C)(C)C)[N@H+](Cc1ccc(C(=O)[O-])s1)C1CC1 ZINC001589540992 987250438 /nfs/dbraw/zinc/25/04/38/987250438.db2.gz WDYNAZHMJGDDIL-SNVBAGLBSA-N 0 2 325.430 3.141 20 0 EGADLN C[C@H](C(=O)OC(C)(C)C)[N@@H+](Cc1ccc(C(=O)[O-])s1)C1CC1 ZINC001589540992 987250450 /nfs/dbraw/zinc/25/04/50/987250450.db2.gz WDYNAZHMJGDDIL-SNVBAGLBSA-N 0 2 325.430 3.141 20 0 EGADLN CCc1ccc(CN2CC[NH+](Cc3ccsc3C(=O)[O-])CC2)cc1 ZINC001597527846 988176354 /nfs/dbraw/zinc/17/63/54/988176354.db2.gz PZLWEGLRDMLDFQ-UHFFFAOYSA-N 0 2 344.480 3.327 20 0 EGADLN CCc1ccc(NC(=O)C[NH2+][C@@H](C(=O)[O-])c2cc(C)cc(C)c2)cc1 ZINC001597544225 988241144 /nfs/dbraw/zinc/24/11/44/988241144.db2.gz BVATZFOPMVZGQV-LJQANCHMSA-N 0 2 340.423 3.220 20 0 EGADLN CCc1nc(C(C)C)ccc1C[NH2+]C(C)(C)c1nocc1C(=O)[O-] ZINC001597652567 988698995 /nfs/dbraw/zinc/69/89/95/988698995.db2.gz PKUCRSZSUONZKR-UHFFFAOYSA-N 0 2 331.416 3.479 20 0 EGADLN COc1nc(C)cc(C)c1C[N@H+](C)[C@H](C(=O)[O-])c1ccccc1C ZINC001599729928 991695336 /nfs/dbraw/zinc/69/53/36/991695336.db2.gz ZVIKXUNQBAXMPE-KRWDZBQOSA-N 0 2 328.412 3.273 20 0 EGADLN COc1nc(C)cc(C)c1C[N@@H+](C)[C@H](C(=O)[O-])c1ccccc1C ZINC001599729928 991695344 /nfs/dbraw/zinc/69/53/44/991695344.db2.gz ZVIKXUNQBAXMPE-KRWDZBQOSA-N 0 2 328.412 3.273 20 0 EGADLN C[N@H+]1Cc2ccccc2[C@H](N[C@H](C(=O)[O-])c2c(F)cccc2Cl)C1 ZINC001598630803 994170433 /nfs/dbraw/zinc/17/04/33/994170433.db2.gz KGKUVIWHYLEDRP-WBVHZDCISA-N 0 2 348.805 3.381 20 0 EGADLN C[N@@H+]1Cc2ccccc2[C@H](N[C@H](C(=O)[O-])c2c(F)cccc2Cl)C1 ZINC001598630803 994170440 /nfs/dbraw/zinc/17/04/40/994170440.db2.gz KGKUVIWHYLEDRP-WBVHZDCISA-N 0 2 348.805 3.381 20 0 EGADLN C[C@H]([NH2+]Cc1cnc(-c2ccccc2)nc1)c1ncc(C(=O)[O-])s1 ZINC001593311135 994777534 /nfs/dbraw/zinc/77/75/34/994777534.db2.gz NKJJXXXCRMXVMH-NSHDSACASA-N 0 2 340.408 3.149 20 0 EGADLN C[C@]([NH2+]Cc1nnc(-c2cc3c(s2)CCCC3)o1)(C(=O)[O-])C1CC1 ZINC001593316061 994808702 /nfs/dbraw/zinc/80/87/02/994808702.db2.gz FCJUPYHUEUYGRP-QGZVFWFLSA-N 0 2 347.440 3.020 20 0 EGADLN COc1cccc(C[NH2+][C@@]2(C(=O)[O-])CC[C@H](C)c3ccccc32)n1 ZINC001599673711 994859598 /nfs/dbraw/zinc/85/95/98/994859598.db2.gz IDJQLXAVUCKIKJ-DJJJIMSYSA-N 0 2 326.396 3.057 20 0 EGADLN C[C@H](Oc1ccccc1C[N@H+](C)Cc1cc(C(C)(C)C)n[nH]1)C(=O)[O-] ZINC001593645036 995968712 /nfs/dbraw/zinc/96/87/12/995968712.db2.gz OYYMQXJBXFHBEU-ZDUSSCGKSA-N 0 2 345.443 3.191 20 0 EGADLN C[C@H](Oc1ccccc1C[N@@H+](C)Cc1cc(C(C)(C)C)n[nH]1)C(=O)[O-] ZINC001593645036 995968716 /nfs/dbraw/zinc/96/87/16/995968716.db2.gz OYYMQXJBXFHBEU-ZDUSSCGKSA-N 0 2 345.443 3.191 20 0 EGADLN C[C@H](c1nc(C(=O)[O-])co1)[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC001593724851 996269819 /nfs/dbraw/zinc/26/98/19/996269819.db2.gz KCOJMHJTCGTLTP-CZUORRHYSA-N 0 2 342.395 3.288 20 0 EGADLN C[C@H](c1nc(C(=O)[O-])co1)[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC001593724851 996269825 /nfs/dbraw/zinc/26/98/25/996269825.db2.gz 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Cc1cncc(C=CC(=O)N=c2nc(-c3ccsc3)[nH]s2)c1 ZINC000492178787 311224333 /nfs/dbraw/zinc/22/43/33/311224333.db2.gz BSVWQNIUFGUSTG-IHWYPQMZSA-N 0 2 328.422 3.044 20 0 EGADLN O=C(C=Cc1ccc(Cl)s1)N=c1nc(-c2cccnc2)[nH]s1 ZINC000492283241 311233512 /nfs/dbraw/zinc/23/35/12/311233512.db2.gz KJHGVSJSARLGOB-GQCTYLIASA-N 0 2 348.840 3.389 20 0 EGADLN CCc1ccc(C=CC(=O)Nc2cc(-c3n[nH]c(=O)[nH]3)ccc2C)o1 ZINC000492783268 311290694 /nfs/dbraw/zinc/29/06/94/311290694.db2.gz PCJAZYUSMDEMBM-CMDGGOBGSA-N 0 2 338.367 3.293 20 0 EGADLN O=C(C=Cc1cc2ccccc2o1)N1CCCC[C@@H]1c1n[nH]c(=O)[nH]1 ZINC000492834092 311296604 /nfs/dbraw/zinc/29/66/04/311296604.db2.gz OMMMOEBJIDTWGC-MYSGNRETSA-N 0 2 338.367 3.024 20 0 EGADLN Cc1ccsc1-c1nc(=NC(=O)C=Cc2cncs2)s[nH]1 ZINC000493611657 311403313 /nfs/dbraw/zinc/40/33/13/311403313.db2.gz CMBFLTPONHEETB-IHWYPQMZSA-N 0 2 334.451 3.105 20 0 EGADLN Cc1[nH]n(-c2cc(C)ccc2C)c(=O)c1C(=O)Nc1cccc(F)c1 ZINC000505415927 312022216 /nfs/dbraw/zinc/02/22/16/312022216.db2.gz 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O=C(c1ccc(Cl)c(Cl)c1O)N1CCC(c2nnco2)CC1 ZINC000570728029 317098780 /nfs/dbraw/zinc/09/87/80/317098780.db2.gz HDWCFCOSIRSVJP-UHFFFAOYSA-N 0 2 342.182 3.102 20 0 EGADLN C[C@@H]1C[C@H]1c1ccc(CNC(=O)C2=NN(c3ccccc3)CC2=O)o1 ZINC000571829123 317253731 /nfs/dbraw/zinc/25/37/31/317253731.db2.gz LVWUCRFJCDWGGT-IUODEOHRSA-N 0 2 337.379 3.224 20 0 EGADLN CC(C)Oc1c(Cl)cccc1NS(=O)(=O)C[C@H]1CCCO1 ZINC000172370452 323278641 /nfs/dbraw/zinc/27/86/41/323278641.db2.gz DHAFPIQGZFZZRW-LLVKDONJSA-N 0 2 333.837 3.048 20 0 EGADLN CCCS(=O)(=O)Nc1nnc([C@H](CC)c2ccccc2)s1 ZINC000182726993 323572019 /nfs/dbraw/zinc/57/20/19/323572019.db2.gz KTEILVVJBIQCKD-GFCCVEGCSA-N 0 2 325.459 3.232 20 0 EGADLN Cc1cccc(OC[C@@H](C)NC(=O)c2cc(F)c(F)c(O)c2F)c1 ZINC000185431019 323700645 /nfs/dbraw/zinc/70/06/45/323700645.db2.gz ZRLAUHRGZHNGLD-SNVBAGLBSA-N 0 2 339.313 3.315 20 0 EGADLN O=S(=O)(Nc1nnc(C2CCCCC2)o1)c1cccc(F)c1 ZINC000194783708 323866191 /nfs/dbraw/zinc/86/61/91/323866191.db2.gz WZKDDBKBRLHQBL-UHFFFAOYSA-N 0 2 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