smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@@H+](CC(=O)N[C@@H]1CCCc2ccccc21)C[C@H]1CCC[C@@H]1O ZINC000159595201 539583028 /nfs/dbraw/zinc/58/30/28/539583028.db2.gz HWRROYYVFBXBDJ-NXHRZFHOSA-N 1 0 316.445 2.273 10 70 DEIERO CO[C@H]1C[NH2+]C[C@@H]1n1cncc1-c1ccccc1Br ZINC000159634647 186131975 /nfs/dbraw/zinc/13/19/75/186131975.db2.gz CYUTUZDWYITEJA-KBPBESRZSA-N 1 0 322.206 2.472 10 70 DEIERO CN(C(=O)Cc1ccc(-n2cccn2)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161319434 197484562 /nfs/dbraw/zinc/48/45/62/197484562.db2.gz RRFLVBLZHVGLKW-BYICEURKSA-N 1 0 324.428 2.156 10 70 DEIERO CC(C)(CO)C[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000160164551 197390659 /nfs/dbraw/zinc/39/06/59/197390659.db2.gz CAKWYJRSKHEGSH-SNVBAGLBSA-N 1 0 322.232 2.341 10 70 DEIERO CC(C)(C)[C@H]1CCN(S(=O)(=O)Cc2cccc(C[NH3+])c2)C1 ZINC000159420997 197352496 /nfs/dbraw/zinc/35/24/96/197352496.db2.gz DDGGNHUZYVEDKZ-HNNXBMFYSA-N 1 0 310.463 2.343 10 70 DEIERO COc1nc(C)nc(NC2CC[NH+](CCOC(C)C)CC2)c1C ZINC000159416504 402323376 /nfs/dbraw/zinc/32/33/76/402323376.db2.gz CBQOUMHPQVQSBJ-UHFFFAOYSA-N 1 0 322.453 2.403 10 70 DEIERO CSc1ccsc1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160325118 402340354 /nfs/dbraw/zinc/34/03/54/402340354.db2.gz AOPKHAXDBLHGDN-NSHDSACASA-N 1 0 314.476 2.047 10 70 DEIERO CC[C@](C)(O)C[NH+]1CCC(NC(=O)c2cc(C)oc2C)CC1 ZINC000160867313 402363388 /nfs/dbraw/zinc/36/33/88/402363388.db2.gz WOVOUPOATWHXRD-KRWDZBQOSA-N 1 0 308.422 2.252 10 70 DEIERO C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161062977 402371619 /nfs/dbraw/zinc/37/16/19/402371619.db2.gz SHWCIHJTAOYMBF-LZLYRXPVSA-N 1 0 308.466 2.260 10 70 DEIERO CCOCC[N@@H+]1CCN(Cc2cnc3ccccn23)C[C@H]1CC ZINC000159953796 402334419 /nfs/dbraw/zinc/33/44/19/402334419.db2.gz USRNFBOXYNUYBN-MRXNPFEDSA-N 1 0 316.449 2.267 10 70 DEIERO CC[C@H](C(=O)N1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1)[NH+](C)C ZINC000159978387 276542174 /nfs/dbraw/zinc/54/21/74/276542174.db2.gz UERCIXGZUAHWHM-WQVCFCJDSA-N 1 0 308.397 2.454 10 70 DEIERO CCC[C@@H](C(=O)NCC(=O)Nc1c(C)cccc1C)[NH+](C)C ZINC000161442973 278855533 /nfs/dbraw/zinc/85/55/33/278855533.db2.gz MUXHOXWHHNLKLQ-AWEZNQCLSA-N 1 0 305.422 2.088 10 70 DEIERO O[C@@H](c1ccc(F)cc1)C1CC[NH+](CC2(O)CCOCC2)CC1 ZINC000160107136 527666788 /nfs/dbraw/zinc/66/67/88/527666788.db2.gz ROAWWSQJAILTQQ-KRWDZBQOSA-N 1 0 323.408 2.113 10 70 DEIERO CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H](C)c1c(C)noc1C ZINC000159599521 186129955 /nfs/dbraw/zinc/12/99/55/186129955.db2.gz QORPVTVMFQUBJN-NWDGAFQWSA-N 1 0 310.442 2.424 10 70 DEIERO CCC[C@@H](C(=O)NC[C@@H](O)c1ccc(OC(C)C)cc1)[NH+](C)C ZINC000160302373 197399569 /nfs/dbraw/zinc/39/95/69/197399569.db2.gz MFCULXJXJJVOJI-DLBZAZTESA-N 1 0 322.449 2.354 10 70 DEIERO CC[NH2+]C[C@@H]1CCc2nc([C@@H]3CSCCO3)nc(C)c2C1 ZINC000160180432 197391740 /nfs/dbraw/zinc/39/17/40/197391740.db2.gz FJSRLRDICRNPTP-DOMZBBRYSA-N 1 0 307.463 2.304 10 70 DEIERO CC[C@H](COC)NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000160125057 197388115 /nfs/dbraw/zinc/38/81/15/197388115.db2.gz RWXZQXSBVZIIND-CQSZACIVSA-N 1 0 311.401 2.112 10 70 DEIERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(N(C)C)cc1F ZINC000160002411 197379416 /nfs/dbraw/zinc/37/94/16/197379416.db2.gz ZWOPMBJOHUWQQS-AWEZNQCLSA-N 1 0 307.413 2.448 10 70 DEIERO CCn1nc(C)c(Cl)c1CN1CCOC[C@@H]1C[NH2+]C(C)C ZINC000159963571 197376843 /nfs/dbraw/zinc/37/68/43/197376843.db2.gz MKTQGYTXXASLRY-ZDUSSCGKSA-N 1 0 314.861 2.064 10 70 DEIERO CCN(CC)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159936650 197375209 /nfs/dbraw/zinc/37/52/09/197375209.db2.gz HYKSOUQEXWLNBG-UONOGXRCSA-N 1 0 315.421 2.175 10 70 DEIERO CCN(CC)c1ncc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)s1 ZINC000159508326 197358389 /nfs/dbraw/zinc/35/83/89/197358389.db2.gz PVLHSIHOLNYJPV-RYUDHWBXSA-N 1 0 310.467 2.075 10 70 DEIERO C[C@@H]1OCC[C@H]1[N@H+](C)CCCOc1ccccc1C(N)=S ZINC000159488088 197357516 /nfs/dbraw/zinc/35/75/16/197357516.db2.gz IPMBNMAAXKIVBU-GXTWGEPZSA-N 1 0 308.447 2.199 10 70 DEIERO CC(C)(C)[C@H]1CCN(S(=O)(=O)c2ccc(F)c(C[NH3+])c2)C1 ZINC000159419843 197352601 /nfs/dbraw/zinc/35/26/01/197352601.db2.gz XGJZPFKGYJVDMV-LBPRGKRZSA-N 1 0 314.426 2.341 10 70 DEIERO CCC[NH2+][C@@H](CSc1nnc2ccccn21)[C@H]1CCOC1 ZINC000159363364 197347269 /nfs/dbraw/zinc/34/72/69/197347269.db2.gz JZVLWBIKIXIJPV-STQMWFEESA-N 1 0 306.435 2.226 10 70 DEIERO C[C@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)N(C)C2=O)c2ccsc2S1 ZINC000217005715 402290679 /nfs/dbraw/zinc/29/06/79/402290679.db2.gz OQKPXOSUHXSNSH-JMJZKYOTSA-N 1 0 310.444 2.411 10 70 DEIERO COC(=O)c1csc(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000161067790 402371331 /nfs/dbraw/zinc/37/13/31/402371331.db2.gz ZQAROMUSGXRXDG-GFCCVEGCSA-N 1 0 323.418 2.237 10 70 DEIERO CCC[C@@H](C(=O)NCCc1ccc(OC)c(OC)c1)[NH+](C)C ZINC000161189078 402376506 /nfs/dbraw/zinc/37/65/06/402376506.db2.gz JDXXHAHCEBELGW-AWEZNQCLSA-N 1 0 308.422 2.093 10 70 DEIERO CCC[C@@H](C(=O)N(C)CCOc1ccc(OC)cc1)[NH+](C)C ZINC000161262817 402379500 /nfs/dbraw/zinc/37/95/00/402379500.db2.gz SJGSDRJLIMLSKX-INIZCTEOSA-N 1 0 308.422 2.263 10 70 DEIERO C[C@]1(O)CCCN(C(=O)NCc2cn3cc(Cl)ccc3n2)C1 ZINC000160122645 402336503 /nfs/dbraw/zinc/33/65/03/402336503.db2.gz JEOOEYAZPAJLRC-HNNXBMFYSA-N 1 0 322.796 2.044 10 70 DEIERO CC(=O)N1CC[C@@H](C[N@@H+](C)CCN(C)Cc2ccc(F)cc2)C1 ZINC000161024382 519612126 /nfs/dbraw/zinc/61/21/26/519612126.db2.gz QVHPFBVESJINCU-KRWDZBQOSA-N 1 0 321.440 2.058 10 70 DEIERO Clc1ccc(-c2cncn2CCCN2CC[NH2+]CC2)cc1 ZINC000159629182 186132142 /nfs/dbraw/zinc/13/21/42/186132142.db2.gz DUHRIQQBAYHVTL-UHFFFAOYSA-N 1 0 304.825 2.499 10 70 DEIERO O=C(NC[C@@H](O)c1cc2ccccc2s1)[C@H]1CCCC[NH2+]1 ZINC000160274386 197397319 /nfs/dbraw/zinc/39/73/19/197397319.db2.gz IABKQBWJKPKVGA-CHWSQXEVSA-N 1 0 304.415 2.193 10 70 DEIERO CC(C)C[NH2+]Cc1c(N(C)[C@H]2CCOC2)nc2sccn12 ZINC000160111732 197386240 /nfs/dbraw/zinc/38/62/40/197386240.db2.gz GFDMRDVRUBAGGQ-LBPRGKRZSA-N 1 0 308.451 2.367 10 70 DEIERO CC(C)(C)c1csc(CN2CCOC[C@@H]2C[NH2+]C2CC2)n1 ZINC000159948736 197376120 /nfs/dbraw/zinc/37/61/20/197376120.db2.gz IQOCFSSZGLQUCO-ZDUSSCGKSA-N 1 0 309.479 2.393 10 70 DEIERO CC(C)[C@H]1CC[N@H+](CC(=O)Nc2ccccc2C(N)=S)C1 ZINC000159891214 197371845 /nfs/dbraw/zinc/37/18/45/197371845.db2.gz CAZWEUFIPHXSDZ-LBPRGKRZSA-N 1 0 305.447 2.237 10 70 DEIERO COCCC[C@@H]([NH3+])CN1CCN(c2ccc(Cl)cc2)CC1 ZINC000159510557 197360355 /nfs/dbraw/zinc/36/03/55/197360355.db2.gz DDCWVYMGQSGIMO-OAHLLOKOSA-N 1 0 311.857 2.216 10 70 DEIERO CCCn1c(C)nnc1CN1CC[C@@H](Oc2cccnc2)C1 ZINC000161444942 402387806 /nfs/dbraw/zinc/38/78/06/402387806.db2.gz SMDTVKQKOZPQMG-OAHLLOKOSA-N 1 0 301.394 2.045 10 70 DEIERO COc1cccc(Cl)c1CC(=O)N1[C@H](C)C[N@@H+](C)C[C@@H]1C ZINC000160808501 402361452 /nfs/dbraw/zinc/36/14/52/402361452.db2.gz YUVKAKPXFXDASP-TXEJJXNPSA-N 1 0 310.825 2.442 10 70 DEIERO C[C@H](NC(=O)NCC1CC[NH+](C)CC1)[C@H]1COc2ccccc21 ZINC000160829791 402361923 /nfs/dbraw/zinc/36/19/23/402361923.db2.gz KMKMYVIGZZAWHS-XJKSGUPXSA-N 1 0 317.433 2.192 10 70 DEIERO O=C1[C@H]([N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)CCN1c1ccccc1 ZINC000160826484 402362087 /nfs/dbraw/zinc/36/20/87/402362087.db2.gz FODMEYRDCNLCFF-SZVBFZGTSA-N 1 0 314.429 2.419 10 70 DEIERO Cc1cccc(NC[C@H]2CC[N@@H+](CCC(=O)NC(C)C)C2)n1 ZINC000160912744 402365217 /nfs/dbraw/zinc/36/52/17/402365217.db2.gz YNSRLXOWVPHANU-OAHLLOKOSA-N 1 0 304.438 2.039 10 70 DEIERO CC[C@H]1CCCCCN1C(=O)NCC(C)(C)N1CCOCC1 ZINC000160917939 402365545 /nfs/dbraw/zinc/36/55/45/402365545.db2.gz AYHHOJNCPHQPJS-HNNXBMFYSA-N 1 0 311.470 2.461 10 70 DEIERO CC(C)CNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159931727 402333487 /nfs/dbraw/zinc/33/34/87/402333487.db2.gz RFZSXYSMSXUUNU-KGLIPLIRSA-N 1 0 315.421 2.079 10 70 DEIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NC1C[C@@H](C)O[C@H](C)C1 ZINC000160216025 402338202 /nfs/dbraw/zinc/33/82/02/402338202.db2.gz FUVGIHMBBODMMP-IIAWOOMASA-N 1 0 311.470 2.362 10 70 DEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccc(F)cc1Cl ZINC000160255120 197395907 /nfs/dbraw/zinc/39/59/07/197395907.db2.gz MBSLWILSCIUGSG-LBPRGKRZSA-N 1 0 314.788 2.056 10 70 DEIERO CC(C)C[NH2+]Cc1c(N(C)[C@@H]2CCOC2)nc2sccn12 ZINC000160111574 197386018 /nfs/dbraw/zinc/38/60/18/197386018.db2.gz GFDMRDVRUBAGGQ-GFCCVEGCSA-N 1 0 308.451 2.367 10 70 DEIERO C[C@@H](CC(=O)NC[C@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000160080312 197384380 /nfs/dbraw/zinc/38/43/80/197384380.db2.gz HLVIQEQGPGJSLF-RDJZCZTQSA-N 1 0 304.434 2.143 10 70 DEIERO CCN(CC)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159936793 197374752 /nfs/dbraw/zinc/37/47/52/197374752.db2.gz HYKSOUQEXWLNBG-KBPBESRZSA-N 1 0 315.421 2.175 10 70 DEIERO CC(C)N(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159874903 197369915 /nfs/dbraw/zinc/36/99/15/197369915.db2.gz SAESHAMELCAYPX-KBPBESRZSA-N 1 0 315.421 2.173 10 70 DEIERO CCC[NH2+]Cc1ccc(S(=O)(=O)N(C)CC(F)F)s1 ZINC000159395020 197350179 /nfs/dbraw/zinc/35/01/79/197350179.db2.gz VLOZPVPSNZVXNK-UHFFFAOYSA-N 1 0 312.407 2.133 10 70 DEIERO CCCCOC(=O)CC[N@@H+]1CCC[C@@H](c2nncn2CC)C1 ZINC000161419816 402387116 /nfs/dbraw/zinc/38/71/16/402387116.db2.gz PREXMCRJPRPIFX-CQSZACIVSA-N 1 0 308.426 2.211 10 70 DEIERO Cc1ccc(/C=C/CC(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000160508046 402348876 /nfs/dbraw/zinc/34/88/76/402348876.db2.gz ORJVMCIUHFYWFK-DUMMIQTOSA-N 1 0 316.445 2.361 10 70 DEIERO CC(C)CNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159931453 402333470 /nfs/dbraw/zinc/33/34/70/402333470.db2.gz RFZSXYSMSXUUNU-KBPBESRZSA-N 1 0 315.421 2.079 10 70 DEIERO COCCC[N@H+](C)CCNC(=O)c1[nH]c2ccc(C)cc2c1C ZINC000160008047 402335115 /nfs/dbraw/zinc/33/51/15/402335115.db2.gz WGLKYHMVWOVTQE-UHFFFAOYSA-N 1 0 317.433 2.483 10 70 DEIERO CCC[C@H](C(=O)N1CCc2cc(OC)c(OC)cc2C1)[NH+](C)C ZINC000161439194 278920240 /nfs/dbraw/zinc/92/02/40/278920240.db2.gz GVFFYJSDGDKSRI-OAHLLOKOSA-N 1 0 320.433 2.319 10 70 DEIERO O=C(/C=C/c1ccc(Cl)cc1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160672976 527608118 /nfs/dbraw/zinc/60/81/18/527608118.db2.gz XWQFBYYKUVUPSF-FSNWXROXSA-N 1 0 322.836 2.316 10 70 DEIERO CC(C)[N@@H+](CCc1nccs1)C[C@@H](C)CS(C)(=O)=O ZINC000159926911 282176634 /nfs/dbraw/zinc/17/66/34/282176634.db2.gz YYAZINDTUKIDMX-GFCCVEGCSA-N 1 0 304.481 2.077 10 70 DEIERO CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@@H](C)c1c(C)noc1C ZINC000159599134 186130029 /nfs/dbraw/zinc/13/00/29/186130029.db2.gz QORPVTVMFQUBJN-NEPJUHHUSA-N 1 0 310.442 2.424 10 70 DEIERO CO[C@H](C)[C@](C)(C[NH3+])N1CCN(c2ccccc2Cl)CC1 ZINC000161278214 197481029 /nfs/dbraw/zinc/48/10/29/197481029.db2.gz JTPHRUCOUVNIQN-CJNGLKHVSA-N 1 0 311.857 2.214 10 70 DEIERO CCCc1ccc(S(=O)(=O)NCC2(C[NH3+])CCCC2)cc1 ZINC000160448293 197411465 /nfs/dbraw/zinc/41/14/65/197411465.db2.gz MELMQOARCBBSAH-UHFFFAOYSA-N 1 0 310.463 2.437 10 70 DEIERO CO[C@]1(C[NH2+]C[C@H](O)c2cc(Cl)ccc2Cl)CCOC1 ZINC000160293303 197398207 /nfs/dbraw/zinc/39/82/07/197398207.db2.gz GXHJIKJUYAOSJK-KBPBESRZSA-N 1 0 320.216 2.422 10 70 DEIERO COC(C)(C)C[NH2+]C[C@@H](O)COc1ccc(Cl)c(C)c1 ZINC000160225780 197393759 /nfs/dbraw/zinc/39/37/59/197393759.db2.gz GDQHQYARCDOAMA-GFCCVEGCSA-N 1 0 301.814 2.403 10 70 DEIERO CC(C)[NH2+]C[C@@H]1CCc2nc([C@@H]3CSCCO3)ncc2C1 ZINC000160022164 197380561 /nfs/dbraw/zinc/38/05/61/197380561.db2.gz RYXUMFJGEQJGTQ-DOMZBBRYSA-N 1 0 307.463 2.384 10 70 DEIERO CC(C)(Cc1ccccc1)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000159988378 197379025 /nfs/dbraw/zinc/37/90/25/197379025.db2.gz YGKPEXDTFBBDQO-KRWDZBQOSA-N 1 0 318.461 2.218 10 70 DEIERO [NH3+]C[C@@H]1CCc2nc(-c3cncc(Br)c3)ncc2C1 ZINC000159862294 197368806 /nfs/dbraw/zinc/36/88/06/197368806.db2.gz KHGNEUGWTYYTIP-SECBINFHSA-N 1 0 319.206 2.365 10 70 DEIERO CCN(CC)c1ncc(C[N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)s1 ZINC000159508171 197359149 /nfs/dbraw/zinc/35/91/49/197359149.db2.gz PVLHSIHOLNYJPV-NWDGAFQWSA-N 1 0 310.467 2.075 10 70 DEIERO CC(C)[C@@H]1CCN(S(=O)(=O)c2ccc(C[NH3+])cc2Cl)C1 ZINC000159427362 197353015 /nfs/dbraw/zinc/35/30/15/197353015.db2.gz KXPIKEGUCMIFJH-GFCCVEGCSA-N 1 0 316.854 2.465 10 70 DEIERO Cc1[nH]nc(C(C)C)c1C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000159537875 402325303 /nfs/dbraw/zinc/32/53/03/402325303.db2.gz NYTDCARMZYRMCX-BETUJISGSA-N 1 0 322.453 2.071 10 70 DEIERO c1nc2ccccn2c1C[N@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000160350896 402342272 /nfs/dbraw/zinc/34/22/72/402342272.db2.gz XAMPJJDNKHHIPP-MRXNPFEDSA-N 1 0 314.433 2.021 10 70 DEIERO CCC[C@@H](C(=O)NC[C@@H](O)c1cccc(OC(C)C)c1)[NH+](C)C ZINC000160630373 402354343 /nfs/dbraw/zinc/35/43/43/402354343.db2.gz HYOFDNNPKQWIDG-DLBZAZTESA-N 1 0 322.449 2.354 10 70 DEIERO COc1ccc([C@@H]2C[C@H](C)N(C(=O)[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000161313594 402381910 /nfs/dbraw/zinc/38/19/10/402381910.db2.gz PAJINCRQTVOVHO-NUEKZKHPSA-N 1 0 302.418 2.399 10 70 DEIERO CN(C)C[C@@H](Cc1ccccc1)[NH2+]C1CCC2(CC1)OCCO2 ZINC000161335361 402383160 /nfs/dbraw/zinc/38/31/60/402383160.db2.gz MKMYVZJWXYJCCM-GOSISDBHSA-N 1 0 318.461 2.435 10 70 DEIERO CC(C)CNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159931326 402333719 /nfs/dbraw/zinc/33/37/19/402333719.db2.gz RFZSXYSMSXUUNU-UONOGXRCSA-N 1 0 315.421 2.079 10 70 DEIERO CCN(CCc1nccs1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000161487296 521175520 /nfs/dbraw/zinc/17/55/20/521175520.db2.gz GDPSMKCOHAWWQK-UHFFFAOYSA-N 1 0 322.478 2.344 10 70 DEIERO Cc1cc(N[C@@H]2CCCC[C@@H]2C(N)=O)nc(-c2ccncc2)n1 ZINC000159607469 539582573 /nfs/dbraw/zinc/58/25/73/539582573.db2.gz HCIHUIMFZSQTFP-UONOGXRCSA-N 1 0 311.389 2.303 10 70 DEIERO C[C@H]([NH2+]CCCN1CCCC1=O)c1ccc2c(c1)OCCO2 ZINC000159529960 186125481 /nfs/dbraw/zinc/12/54/81/186125481.db2.gz KQCAVROGZRJAJT-ZDUSSCGKSA-N 1 0 304.390 2.121 10 70 DEIERO CC(C)(C)c1nnsc1C(=O)NCc1ccc(C[NH3+])cc1 ZINC000159578381 186128060 /nfs/dbraw/zinc/12/80/60/186128060.db2.gz NXXJZPFFGMACBC-UHFFFAOYSA-N 1 0 304.419 2.224 10 70 DEIERO CCC[C@H](C(=O)NC[C@@H](O)c1cccc(OC(C)C)c1)[NH+](C)C ZINC000160630499 197427972 /nfs/dbraw/zinc/42/79/72/197427972.db2.gz HYOFDNNPKQWIDG-IAGOWNOFSA-N 1 0 322.449 2.354 10 70 DEIERO CC(C)N(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159875040 197370146 /nfs/dbraw/zinc/37/01/46/197370146.db2.gz SAESHAMELCAYPX-ZIAGYGMSSA-N 1 0 315.421 2.173 10 70 DEIERO C[C@@H]1OCC[C@H]1[N@H+](C)CCCOc1ccc(C(N)=S)cc1 ZINC000159491643 197358127 /nfs/dbraw/zinc/35/81/27/197358127.db2.gz ZBIYVCIHMWFVEI-SWLSCSKDSA-N 1 0 308.447 2.199 10 70 DEIERO CCc1nc(CNC(=O)N2CC[N@H+](C)C[C@H]2C(C)C)cs1 ZINC000159401144 197350842 /nfs/dbraw/zinc/35/08/42/197350842.db2.gz OTOCIJUSEZTELL-ZDUSSCGKSA-N 1 0 310.467 2.187 10 70 DEIERO c1nc2ccccn2c1C[N@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000160351016 402342131 /nfs/dbraw/zinc/34/21/31/402342131.db2.gz XAMPJJDNKHHIPP-INIZCTEOSA-N 1 0 314.433 2.021 10 70 DEIERO O=C(N[C@@H]1CCO[C@@H](C2CC2)C1)N1CCC([NH+]2CCCC2)CC1 ZINC000160454183 402346410 /nfs/dbraw/zinc/34/64/10/402346410.db2.gz MVMGYVUXGQZOEL-NVXWUHKLSA-N 1 0 321.465 2.214 10 70 DEIERO NC(=O)N1CCC([NH2+]CCCc2nc3c(s2)CCCC3)CC1 ZINC000160588850 402352579 /nfs/dbraw/zinc/35/25/79/402352579.db2.gz JSRYLZBAGROUSS-UHFFFAOYSA-N 1 0 322.478 2.087 10 70 DEIERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC1(CCOC)CC1 ZINC000160973471 402367732 /nfs/dbraw/zinc/36/77/32/402367732.db2.gz ZPXRVFQVALEYCW-LSDHHAIUSA-N 1 0 309.454 2.071 10 70 DEIERO CCn1cnnc1[C@@H]1CCCN(CC(=O)Nc2ccccc2)C1 ZINC000161316571 402382015 /nfs/dbraw/zinc/38/20/15/402382015.db2.gz XBYQODFBSMMECX-CQSZACIVSA-N 1 0 313.405 2.116 10 70 DEIERO Cc1cc(N[C@H]2CCCC[C@H]2C(N)=O)nc(-c2ccncc2)n1 ZINC000159607895 539582897 /nfs/dbraw/zinc/58/28/97/539582897.db2.gz HCIHUIMFZSQTFP-KGLIPLIRSA-N 1 0 311.389 2.303 10 70 DEIERO CC[NH+](CC)[C@H](C)CNC(=O)NCc1ccnc(OC(C)C)c1 ZINC000159599818 186130276 /nfs/dbraw/zinc/13/02/76/186130276.db2.gz RZIXYGKDTLXRGH-CQSZACIVSA-N 1 0 322.453 2.398 10 70 DEIERO C[C@H]([NH2+]CCNC(=O)N(C)C)c1ccc(OC(F)F)cc1 ZINC000160773256 197438174 /nfs/dbraw/zinc/43/81/74/197438174.db2.gz HSKKQGSEXHYCJQ-JTQLQIEISA-N 1 0 301.337 2.210 10 70 DEIERO [NH3+][C@@H]1CCN(C(=O)[C@H]2C[C@@H]2c2cccc(Br)c2)C1 ZINC000160305077 197399068 /nfs/dbraw/zinc/39/90/68/197399068.db2.gz IUYNKSJGBQCESO-UPJWGTAASA-N 1 0 309.207 2.112 10 70 DEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cc2c(s1)CCCC2 ZINC000160194670 197391998 /nfs/dbraw/zinc/39/19/98/197391998.db2.gz RXIRLJWMMBXQIC-AWEZNQCLSA-N 1 0 322.474 2.204 10 70 DEIERO c1ccc2c(c1)C[C@H](CN1CCOC[C@@H]1C[NH2+]C1CC1)S2 ZINC000159959292 197377252 /nfs/dbraw/zinc/37/72/52/197377252.db2.gz AZMJOFMIAUAXEJ-JKSUJKDBSA-N 1 0 304.459 2.156 10 70 DEIERO C[C@@H]1C[C@H](C)CN1S(=O)(=O)c1cc(C[NH3+])ccc1Cl ZINC000159514285 197360011 /nfs/dbraw/zinc/36/00/11/197360011.db2.gz SYWCKJZNLJSEFB-VHSXEESVSA-N 1 0 302.827 2.218 10 70 DEIERO CCC[C@@H]1CCN(S(=O)(=O)c2ccc(F)c(C[NH3+])c2)C1 ZINC000159433854 197353706 /nfs/dbraw/zinc/35/37/06/197353706.db2.gz ZMJQSAOPPSSATP-LLVKDONJSA-N 1 0 300.399 2.095 10 70 DEIERO O=C1CC[N@H+](CCOc2cc(Cl)cc(Cl)c2)CCN1 ZINC000160472661 402347145 /nfs/dbraw/zinc/34/71/45/402347145.db2.gz ARNUBOXNMBHKII-UHFFFAOYSA-N 1 0 303.189 2.194 10 70 DEIERO CCC(CC)CNC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000160564822 402351143 /nfs/dbraw/zinc/35/11/43/402351143.db2.gz KZEBAXRAXBBCPR-QGZVFWFLSA-N 1 0 324.513 2.234 10 70 DEIERO COC(=O)c1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cc1 ZINC000160604326 402353420 /nfs/dbraw/zinc/35/34/20/402353420.db2.gz YNFBZKWHQLOVDR-MRXNPFEDSA-N 1 0 318.417 2.323 10 70 DEIERO Cc1nn(C)c2ncc(C[N@@H+]3CC[C@@]4(O)CCCC[C@@H]4C3)cc12 ZINC000160731025 402358574 /nfs/dbraw/zinc/35/85/74/402358574.db2.gz DHBIVVUTUAKABU-QAPCUYQASA-N 1 0 314.433 2.404 10 70 DEIERO C[C@@H](O)C(C)(C)[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000161130319 402373914 /nfs/dbraw/zinc/37/39/14/402373914.db2.gz NDUOAZOFPFAHMB-OLZOCXBDSA-N 1 0 300.443 2.383 10 70 DEIERO CCC(CC)(C[NH3+])C(=O)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000161228889 402378468 /nfs/dbraw/zinc/37/84/68/402378468.db2.gz PXRIKRIFKALXIB-OAHLLOKOSA-N 1 0 317.433 2.063 10 70 DEIERO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2cn3ccccc3n2)C1 ZINC000161416503 402386366 /nfs/dbraw/zinc/38/63/66/402386366.db2.gz AZNUSYWKBQVJHM-CQSZACIVSA-N 1 0 310.405 2.325 10 70 DEIERO O=S(=O)(/C=C/c1ccccc1)N1CCC([NH2+]CC2CC2)CC1 ZINC000160148694 402336808 /nfs/dbraw/zinc/33/68/08/402336808.db2.gz ZPTMHHWTCFYGRO-JLHYYAGUSA-N 1 0 320.458 2.451 10 70 DEIERO CC[C@H](C(=O)NC[C@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000160198791 402338123 /nfs/dbraw/zinc/33/81/23/402338123.db2.gz VGGHZPLAMJWSLD-IRXDYDNUSA-N 1 0 304.434 2.143 10 70 DEIERO CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCO[C@H](c2ccc(C)o2)C1 ZINC000161505704 402389831 /nfs/dbraw/zinc/38/98/31/402389831.db2.gz SMSPYRLRDNPGNY-ZBFHGGJFSA-N 1 0 321.421 2.155 10 70 DEIERO CC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)CCc1ncc(C)s1 ZINC000161500078 539592141 /nfs/dbraw/zinc/59/21/41/539592141.db2.gz KORNZSBIGRCPPG-CYBMUJFWSA-N 1 0 310.467 2.120 10 70 DEIERO CS(=O)(=O)c1ccc2oc([C@@H]3CCCC[C@@H]3C[NH3+])nc2c1 ZINC000160362728 197403792 /nfs/dbraw/zinc/40/37/92/197403792.db2.gz RMSIYDJEVBOXEE-ZYHUDNBSSA-N 1 0 308.403 2.464 10 70 DEIERO C[NH2+]C[C@H]1CCc2nc(Cc3csc(C)n3)nc(C)c2C1 ZINC000160131051 197387961 /nfs/dbraw/zinc/38/79/61/197387961.db2.gz HLPRLDZASPYSIY-LBPRGKRZSA-N 1 0 302.447 2.465 10 70 DEIERO CCCSCc1ncc2c(n1)CC[C@H](C[NH2+]CCOC)C2 ZINC000160079815 197384420 /nfs/dbraw/zinc/38/44/20/197384420.db2.gz AHWFJJIXEVTEOJ-ZDUSSCGKSA-N 1 0 309.479 2.461 10 70 DEIERO [NH3+]C[C@H]1CCc2nc(-c3cncc(Br)c3)ncc2C1 ZINC000159862151 197369253 /nfs/dbraw/zinc/36/92/53/197369253.db2.gz KHGNEUGWTYYTIP-VIFPVBQESA-N 1 0 319.206 2.365 10 70 DEIERO Brc1ccccc1-c1cncn1C[C@@H]1C[NH2+]CCO1 ZINC000159789023 197364241 /nfs/dbraw/zinc/36/42/41/197364241.db2.gz AQIJGBHEKGTCNH-NSHDSACASA-N 1 0 322.206 2.301 10 70 DEIERO Cn1cc([C@@H](CNc2nc(C(C)(C)C)ns2)[NH+](C)C)cn1 ZINC000159544167 402325139 /nfs/dbraw/zinc/32/51/39/402325139.db2.gz ADSJFAPXGWUKSJ-LLVKDONJSA-N 1 0 308.455 2.284 10 70 DEIERO Cc1ccccc1[C@@H](C)CC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160582447 402352307 /nfs/dbraw/zinc/35/23/07/402352307.db2.gz ALBJFBFFAUMBTA-IRXDYDNUSA-N 1 0 318.461 2.452 10 70 DEIERO Cc1cccc(NC[C@@H]2CC[N@@H+](CCC(=O)NC(C)C)C2)n1 ZINC000160912623 402365450 /nfs/dbraw/zinc/36/54/50/402365450.db2.gz YNSRLXOWVPHANU-HNNXBMFYSA-N 1 0 304.438 2.039 10 70 DEIERO CCN1CCO[C@H](C(=O)N[C@@H]2CC[C@H](C)c3ccccc32)C1 ZINC000159709362 402328888 /nfs/dbraw/zinc/32/88/88/402328888.db2.gz ADGIYBDAJWQTQD-XKQJLSEDSA-N 1 0 302.418 2.462 10 70 DEIERO CC(C)CN(C(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1)C1CC1 ZINC000160718051 277371157 /nfs/dbraw/zinc/37/11/57/277371157.db2.gz MDGJSSZKPFEURK-QAPCUYQASA-N 1 0 308.466 2.260 10 70 DEIERO CC[C@@H](C(=O)NC[C@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000160198917 521847096 /nfs/dbraw/zinc/84/70/96/521847096.db2.gz VGGHZPLAMJWSLD-DLBZAZTESA-N 1 0 304.434 2.143 10 70 DEIERO Cc1c(C(F)(F)F)cccc1S(=O)(=O)NC[C@@H]1CCC[NH2+]1 ZINC000160918333 197451067 /nfs/dbraw/zinc/45/10/67/197451067.db2.gz NPVZWGUXVVCVNY-JTQLQIEISA-N 1 0 322.352 2.044 10 70 DEIERO CCC[NH2+]C[C@H](C[C@@H]1CCC(C)(C)O1)[C@@H]1CCS(=O)(=O)C1 ZINC000160861643 197444439 /nfs/dbraw/zinc/44/44/39/197444439.db2.gz TVBWAQXVOYPJKJ-ILXRZTDVSA-N 1 0 317.495 2.385 10 70 DEIERO Cc1ccc(SCC(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000160176672 197391119 /nfs/dbraw/zinc/39/11/19/197391119.db2.gz OSBKZNPGGGSBPG-HNNXBMFYSA-N 1 0 322.474 2.050 10 70 DEIERO CC[C@H](C)c1ccccc1N1C[C@H](C(=O)NCCC[NH3+])CC1=O ZINC000160076605 197383682 /nfs/dbraw/zinc/38/36/82/197383682.db2.gz LKYKPZJTQALBOU-UONOGXRCSA-N 1 0 317.433 2.018 10 70 DEIERO CC(C)[NH2+]C[C@H]1CCc2nc([C@@H]3CSCCO3)ncc2C1 ZINC000160022311 197380336 /nfs/dbraw/zinc/38/03/36/197380336.db2.gz RYXUMFJGEQJGTQ-WFASDCNBSA-N 1 0 307.463 2.384 10 70 DEIERO CCC([NH3+])(CC)CNC(=O)Cc1c(C)nn(CC(C)C)c1C ZINC000160493323 402348439 /nfs/dbraw/zinc/34/84/39/402348439.db2.gz WCXKOBIKDMGQCP-UHFFFAOYSA-N 1 0 308.470 2.332 10 70 DEIERO COC(=O)c1cc(C[NH+]2CCC(c3ccnn3C)CC2)oc1C ZINC000160523659 402349055 /nfs/dbraw/zinc/34/90/55/402349055.db2.gz XBJGJVGDEGSBSW-UHFFFAOYSA-N 1 0 317.389 2.488 10 70 DEIERO Cc1[nH+]c2ccccc2c(N2CCS(=O)(=O)[C@@H](C)C2)c1C ZINC000160755295 402359822 /nfs/dbraw/zinc/35/98/22/402359822.db2.gz JNBTURXSVKIFJF-NSHDSACASA-N 1 0 304.415 2.475 10 70 DEIERO CC[N@@H+]1CCC[C@@H](NC(=O)NCc2ccnc(OC(C)C)c2)C1 ZINC000159735826 402329522 /nfs/dbraw/zinc/32/95/22/402329522.db2.gz UZJGFOGPJRDPKN-OAHLLOKOSA-N 1 0 320.437 2.152 10 70 DEIERO CC[N@@H+]1CCCN(C(=O)N[C@H]2CCCC[C@@H]2n2cccn2)CC1 ZINC000159937884 402334403 /nfs/dbraw/zinc/33/44/03/402334403.db2.gz LPQAFSYUQQHDNG-HOTGVXAUSA-N 1 0 319.453 2.104 10 70 DEIERO CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)NCCC[NH3+])CC1=O ZINC000160076812 287787637 /nfs/dbraw/zinc/78/76/37/287787637.db2.gz LKYKPZJTQALBOU-KBPBESRZSA-N 1 0 317.433 2.018 10 70 DEIERO CNC(=O)[C@H](C)[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000160318267 197399757 /nfs/dbraw/zinc/39/97/57/197399757.db2.gz WHAOUQXBCLIZNM-VIFPVBQESA-N 1 0 322.206 2.221 10 70 DEIERO COC[C@@H]([NH3+])C(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000159440397 197353409 /nfs/dbraw/zinc/35/34/09/197353409.db2.gz HUOORQHOTNXTCH-TZMCWYRMSA-N 1 0 308.378 2.067 10 70 DEIERO CCCn1c(C)nnc1CN1CC[C@H](Oc2cccnc2)C1 ZINC000161444805 402387662 /nfs/dbraw/zinc/38/76/62/402387662.db2.gz SMDTVKQKOZPQMG-HNNXBMFYSA-N 1 0 301.394 2.045 10 70 DEIERO CC[C@H]1CCCN(C(C)(C)C[NH2+]C2CCN(C(N)=O)CC2)C1 ZINC000161013673 402369287 /nfs/dbraw/zinc/36/92/87/402369287.db2.gz XAIVNPVUSKIFQP-AWEZNQCLSA-N 1 0 310.486 2.020 10 70 DEIERO CC(C)[C@H](O)CC(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000161379990 402385385 /nfs/dbraw/zinc/38/53/85/402385385.db2.gz FXILGPJBAADFDO-CZUORRHYSA-N 1 0 301.390 2.457 10 70 DEIERO O=C(CCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccc(F)c(F)c1 ZINC000159922700 402333552 /nfs/dbraw/zinc/33/35/52/402333552.db2.gz BUUIGSUSTKKVKE-BETUJISGSA-N 1 0 322.355 2.281 10 70 DEIERO CCCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159935230 402333630 /nfs/dbraw/zinc/33/36/30/402333630.db2.gz SKWKJATVCQILGP-ZIAGYGMSSA-N 1 0 315.421 2.223 10 70 DEIERO C[C@H](CC(N)=O)[NH2+][C@@H](C)CCc1ccc(OC(F)F)cc1 ZINC000161351619 197488768 /nfs/dbraw/zinc/48/87/68/197488768.db2.gz RXVISDABMODMLQ-WDEREUQCSA-N 1 0 300.349 2.463 10 70 DEIERO COc1ccc(Cl)cc1CN1C(=O)CC[C@@H]2C[NH2+]CC[C@H]21 ZINC000160001766 197379388 /nfs/dbraw/zinc/37/93/88/197379388.db2.gz OMLSTTCTIYONEB-BXUZGUMPSA-N 1 0 308.809 2.449 10 70 DEIERO Cc1c(Cl)cccc1S(=O)(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000159967127 197376427 /nfs/dbraw/zinc/37/64/27/197376427.db2.gz BIYSHQIZNIVVND-GFCCVEGCSA-N 1 0 302.827 2.006 10 70 DEIERO CO[C@H]1C[NH2+]C[C@H]1n1cncc1-c1cccc(Br)c1 ZINC000159508331 197358747 /nfs/dbraw/zinc/35/87/47/197358747.db2.gz ZPHRJFRMZYZMRL-KGLIPLIRSA-N 1 0 322.206 2.472 10 70 DEIERO CCOC(C)(C)C[NH2+]Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000159370989 197348531 /nfs/dbraw/zinc/34/85/31/197348531.db2.gz WLJQWWBCJCUWKZ-UHFFFAOYSA-N 1 0 309.797 2.481 10 70 DEIERO CC(C)C[N@@H+]1CCC[C@@H]1CNS(=O)(=O)CCc1ccccc1 ZINC000160290245 402340078 /nfs/dbraw/zinc/34/00/78/402340078.db2.gz APTGOVNGTNOXIQ-QGZVFWFLSA-N 1 0 324.490 2.269 10 70 DEIERO C[NH+](C)CC1CCC(NC(=O)NCCCC(C)(C)CO)CC1 ZINC000160323881 402340457 /nfs/dbraw/zinc/34/04/57/402340457.db2.gz BWPHQOFKGSGPKO-UHFFFAOYSA-N 1 0 313.486 2.205 10 70 DEIERO c1cnnc(NC2CCN(CCC[NH+]3CCCCC3)CC2)c1 ZINC000160938900 402366333 /nfs/dbraw/zinc/36/63/33/402366333.db2.gz WHQFJUOHJPNJGO-UHFFFAOYSA-N 1 0 303.454 2.229 10 70 DEIERO CN(CC[N@H+](C)CCCn1ccnc1)Cc1ccc(F)cc1 ZINC000161210088 402377975 /nfs/dbraw/zinc/37/79/75/402377975.db2.gz VCNKJOWPTIANKP-UHFFFAOYSA-N 1 0 304.413 2.476 10 70 DEIERO C[C@@H](C(=O)NCc1ccccc1C[NH+](C)C)C1CCOCC1 ZINC000160179733 402337549 /nfs/dbraw/zinc/33/75/49/402337549.db2.gz WGDVFKWJNVWEBJ-CQSZACIVSA-N 1 0 304.434 2.427 10 70 DEIERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000160284662 402339711 /nfs/dbraw/zinc/33/97/11/402339711.db2.gz UNGGEJQDQFJNEV-VQHPVUNQSA-N 1 0 321.465 2.212 10 70 DEIERO C[NH+](C)CCOc1ccccc1C(=O)NCCCC(C)(C)CO ZINC000160377362 521801821 /nfs/dbraw/zinc/80/18/21/521801821.db2.gz UUVGSRGFOSBQFJ-UHFFFAOYSA-N 1 0 322.449 2.156 10 70 DEIERO CCn1cc(C2CC[NH+](Cc3cccc(C(N)=O)c3)CC2)cn1 ZINC000160472134 523356540 /nfs/dbraw/zinc/35/65/40/523356540.db2.gz HGAOJNLBXWPLHO-UHFFFAOYSA-N 1 0 312.417 2.382 10 70 DEIERO CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H](C)c1c(C)noc1C ZINC000159599258 186130294 /nfs/dbraw/zinc/13/02/94/186130294.db2.gz QORPVTVMFQUBJN-VXGBXAGGSA-N 1 0 310.442 2.424 10 70 DEIERO CCC[C@@H](C(=O)N1CCN(c2cccc(C)c2)CC1)[NH+](C)C ZINC000161342347 291674528 /nfs/dbraw/zinc/67/45/28/291674528.db2.gz RCHWEZSAAMLTLQ-KRWDZBQOSA-N 1 0 303.450 2.374 10 70 DEIERO Cc1nn(C)c(C)c1C[C@H](C)NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161187165 197472079 /nfs/dbraw/zinc/47/20/79/197472079.db2.gz QPDIUGDSUXHZCB-RJPYNODJSA-N 1 0 318.465 2.005 10 70 DEIERO C[C@H]1CC(NC(=O)NC2CCC(C[NH+](C)C)CC2)C[C@H](C)O1 ZINC000160180436 197391616 /nfs/dbraw/zinc/39/16/16/197391616.db2.gz UOFZXVJPNPYZHC-HESLUPGFSA-N 1 0 311.470 2.362 10 70 DEIERO CCS(=O)(=O)CCOc1c(Cl)cccc1C[C@H](C)[NH3+] ZINC000160082313 197384773 /nfs/dbraw/zinc/38/47/73/197384773.db2.gz IFXIVCXWWANVHG-JTQLQIEISA-N 1 0 305.827 2.043 10 70 DEIERO CC(C)[NH2+]C[C@@H]1COCCN1C[C@@H]1Cc2ccccc2S1 ZINC000159980795 197377620 /nfs/dbraw/zinc/37/76/20/197377620.db2.gz UMAKHKPTISZNDJ-CVEARBPZSA-N 1 0 306.475 2.402 10 70 DEIERO Cc1nccn1CCCC[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000159856519 197369161 /nfs/dbraw/zinc/36/91/61/197369161.db2.gz MEJGHODWLRIYGF-GOSISDBHSA-N 1 0 320.481 2.158 10 70 DEIERO COCCC[C@H]([NH3+])C(=O)Nc1c2nsnc2ccc1Cl ZINC000159489862 197357415 /nfs/dbraw/zinc/35/74/15/197357415.db2.gz BMCSYWKTZVRAQD-QMMMGPOBSA-N 1 0 314.798 2.037 10 70 DEIERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccn(CC(F)(F)F)n2)C1 ZINC000160398290 402344295 /nfs/dbraw/zinc/34/42/95/402344295.db2.gz PBAAPCVUKQTCHV-JTQLQIEISA-N 1 0 319.331 2.051 10 70 DEIERO Cc1nc(C[C@@H]2CCC[N@@H+](Cc3c(C)nn(C)c3C)C2)no1 ZINC000161051421 402370688 /nfs/dbraw/zinc/37/06/88/402370688.db2.gz GDEIDMHHMIWQGZ-AWEZNQCLSA-N 1 0 303.410 2.183 10 70 DEIERO CC[C@H](COC)[NH2+]Cc1ccc(Cn2ccccc2=O)cc1 ZINC000161078235 402372136 /nfs/dbraw/zinc/37/21/36/402372136.db2.gz XZRFEATVKIQMTI-QGZVFWFLSA-N 1 0 300.402 2.411 10 70 DEIERO CCC[C@@H](C(=O)N1CCN(c2cccc(OC)c2)CC1)[NH+](C)C ZINC000161217584 402378176 /nfs/dbraw/zinc/37/81/76/402378176.db2.gz NDTPYCUWYAQOFO-KRWDZBQOSA-N 1 0 319.449 2.074 10 70 DEIERO CCCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159935116 402333761 /nfs/dbraw/zinc/33/37/61/402333761.db2.gz SKWKJATVCQILGP-KBPBESRZSA-N 1 0 315.421 2.223 10 70 DEIERO Cc1ccc(C(C)(C)C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000160066189 526243099 /nfs/dbraw/zinc/24/30/99/526243099.db2.gz IHSQJEAQHGAUIP-KRWDZBQOSA-N 1 0 318.461 2.236 10 70 DEIERO Brc1cccc(-c2cncn2C[C@@H]2C[NH2+]CCO2)c1 ZINC000159596607 186129559 /nfs/dbraw/zinc/12/95/59/186129559.db2.gz XZRFIMVUCYHUPV-ZDUSSCGKSA-N 1 0 322.206 2.301 10 70 DEIERO Clc1cccc(-c2cncn2CCCN2CC[NH2+]CC2)c1 ZINC000159628339 186132165 /nfs/dbraw/zinc/13/21/65/186132165.db2.gz HKGTZFMKURWGAF-UHFFFAOYSA-N 1 0 304.825 2.499 10 70 DEIERO CCS(=O)(=O)CCOCC(C)(C)C[NH2+]Cc1ccccc1 ZINC000159747820 186139409 /nfs/dbraw/zinc/13/94/09/186139409.db2.gz IKHOTRHCABCDLK-UHFFFAOYSA-N 1 0 313.463 2.254 10 70 DEIERO CO[C@@H](C)[C@](C)(C[NH3+])N1CCN(c2ccccc2Cl)CC1 ZINC000161278101 197480587 /nfs/dbraw/zinc/48/05/87/197480587.db2.gz JTPHRUCOUVNIQN-BBRMVZONSA-N 1 0 311.857 2.214 10 70 DEIERO C[NH2+][C@H]1CCCc2c1ccc(=O)n2CCOCC(F)(F)F ZINC000161082357 197463684 /nfs/dbraw/zinc/46/36/84/197463684.db2.gz BXLXEMPYAZNDNG-NSHDSACASA-N 1 0 304.312 2.024 10 70 DEIERO CCS(=O)(=O)c1ccc(N2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC000160779294 197438243 /nfs/dbraw/zinc/43/82/43/197438243.db2.gz FREYCAVUHRJEQY-CJNGLKHVSA-N 1 0 308.447 2.059 10 70 DEIERO c1nc([C@H]2CSCCO2)nc2c1C[C@H](C[NH2+]C1CC1)CC2 ZINC000160044814 197382116 /nfs/dbraw/zinc/38/21/16/197382116.db2.gz MKKNTDWOLCXREO-IAQYHMDHSA-N 1 0 305.447 2.138 10 70 DEIERO c1nc([C@@H]2CSCCO2)nc2c1C[C@@H](C[NH2+]C1CC1)CC2 ZINC000160044417 197381682 /nfs/dbraw/zinc/38/16/82/197381682.db2.gz MKKNTDWOLCXREO-NHYWBVRUSA-N 1 0 305.447 2.138 10 70 DEIERO c1nc([C@H]2CSCCO2)nc2c1C[C@@H](C[NH2+]C1CC1)CC2 ZINC000160044519 197381725 /nfs/dbraw/zinc/38/17/25/197381725.db2.gz MKKNTDWOLCXREO-XHDPSFHLSA-N 1 0 305.447 2.138 10 70 DEIERO COc1ccc(Cl)cc1CN1CCOC[C@@H]1C[NH2+]C1CC1 ZINC000159954447 197376300 /nfs/dbraw/zinc/37/63/00/197376300.db2.gz HYUILCJIXOIYDJ-HNNXBMFYSA-N 1 0 310.825 2.301 10 70 DEIERO C[C@@H](NC(=O)NCC1CC[NH+](C)CC1)[C@@H]1COc2ccccc21 ZINC000160829666 197442216 /nfs/dbraw/zinc/44/22/16/197442216.db2.gz KMKMYVIGZZAWHS-CJNGLKHVSA-N 1 0 317.433 2.192 10 70 DEIERO CC[N@H+](CCc1nccs1)C[C@@H](O)COCc1ccco1 ZINC000159435364 402323502 /nfs/dbraw/zinc/32/35/02/402323502.db2.gz QLRHOKDHUQYVAT-CYBMUJFWSA-N 1 0 310.419 2.178 10 70 DEIERO CC(C)(C(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1ccccc1F ZINC000160373760 402342751 /nfs/dbraw/zinc/34/27/51/402342751.db2.gz NQEIIXUVASVUEE-CQSZACIVSA-N 1 0 322.424 2.066 10 70 DEIERO CC(C)(C(=O)NC[C@H](O)C[NH+]1CCCCC1)c1ccccc1F ZINC000160373623 402342847 /nfs/dbraw/zinc/34/28/47/402342847.db2.gz NQEIIXUVASVUEE-AWEZNQCLSA-N 1 0 322.424 2.066 10 70 DEIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)C1CCOCC1 ZINC000160463776 402346466 /nfs/dbraw/zinc/34/64/66/402346466.db2.gz SUGHPKGASKYBKC-GOEBONIOSA-N 1 0 311.470 2.221 10 70 DEIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)C1CCOCC1 ZINC000160463908 402346614 /nfs/dbraw/zinc/34/66/14/402346614.db2.gz SUGHPKGASKYBKC-GDBMZVCRSA-N 1 0 311.470 2.221 10 70 DEIERO CCOC(=O)CCN1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000160664576 402356192 /nfs/dbraw/zinc/35/61/92/402356192.db2.gz OKCJVFIUYZMKHB-ZDUSSCGKSA-N 1 0 306.410 2.095 10 70 DEIERO Cc1ccccc1CNC(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160983155 402368313 /nfs/dbraw/zinc/36/83/13/402368313.db2.gz XGSLLQDPYZJLTJ-IEBWSBKVSA-N 1 0 316.445 2.238 10 70 DEIERO CC(C)Nc1ncccc1C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000161156127 402375552 /nfs/dbraw/zinc/37/55/52/402375552.db2.gz KACQNKPWEAUPPE-ZFWWWQNUSA-N 1 0 304.438 2.360 10 70 DEIERO CC[C@](C)(O)C[N@@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000161294511 402381243 /nfs/dbraw/zinc/38/12/43/402381243.db2.gz FBEYEGYVQFTVIA-KRWDZBQOSA-N 1 0 304.390 2.162 10 70 DEIERO CC(C)[C@H](O)CC(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000161379765 402385281 /nfs/dbraw/zinc/38/52/81/402385281.db2.gz FXILGPJBAADFDO-XJKSGUPXSA-N 1 0 301.390 2.457 10 70 DEIERO COCCOC1CC[NH+](CCN(C)Cc2ccc(F)cc2)CC1 ZINC000159722124 402329153 /nfs/dbraw/zinc/32/91/53/402329153.db2.gz JHBFNNGZEOGLKF-UHFFFAOYSA-N 1 0 324.440 2.385 10 70 DEIERO CC(C)N(CC[NH+](C)C)C(=O)NCc1ccn(C2CCCC2)n1 ZINC000159786137 402330815 /nfs/dbraw/zinc/33/08/15/402330815.db2.gz SMAODOUEFRYKPE-UHFFFAOYSA-N 1 0 321.469 2.480 10 70 DEIERO Cc1cc(C)nc(SCC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)n1 ZINC000161268062 524598979 /nfs/dbraw/zinc/59/89/79/524598979.db2.gz PHZIAALKIHAZOS-FZMZJTMJSA-N 1 0 322.478 2.030 10 70 DEIERO C[NH+](C)CCN1CCN(Cc2cnc(Cl)cc2Cl)CC1 ZINC000159731270 186137797 /nfs/dbraw/zinc/13/77/97/186137797.db2.gz OACSAGODHRGUIO-UHFFFAOYSA-N 1 0 317.264 2.068 10 70 DEIERO O=C(NC[C@@H](O)C[NH+]1CCCCC1)C1C2CC3CC(C2)CC1C3 ZINC000160302199 197398783 /nfs/dbraw/zinc/39/87/83/197398783.db2.gz ZQSBAKNKMXNRGC-SVXFNXITSA-N 1 0 320.477 2.022 10 70 DEIERO CC[C@@H]1CC[N@H+](CCC(=O)Nc2cccc(C(N)=S)c2)C1 ZINC000159901030 197372097 /nfs/dbraw/zinc/37/20/97/197372097.db2.gz IYHQNWXRJNHIDY-GFCCVEGCSA-N 1 0 305.447 2.381 10 70 DEIERO C[NH2+]C[C@H]1COCCN1Cc1ccc(OC(F)(F)F)cc1 ZINC000159902069 197371724 /nfs/dbraw/zinc/37/17/24/197371724.db2.gz NACYMQACFONDTF-LBPRGKRZSA-N 1 0 304.312 2.005 10 70 DEIERO CC(C)COC[C@H](O)C[N@H+](CCc1nccs1)C(C)C ZINC000159867805 197370433 /nfs/dbraw/zinc/37/04/33/197370433.db2.gz XYIQISNHQQZBSF-CQSZACIVSA-N 1 0 300.468 2.430 10 70 DEIERO CC[NH2+]Cc1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H]2C)s1 ZINC000159512804 197359619 /nfs/dbraw/zinc/35/96/19/197359619.db2.gz OKPXDDJMKPKUCX-MNOVXSKESA-N 1 0 302.465 2.277 10 70 DEIERO Cc1[nH]nc(C(C)C)c1C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000159538075 402325210 /nfs/dbraw/zinc/32/52/10/402325210.db2.gz NYTDCARMZYRMCX-STQMWFEESA-N 1 0 322.453 2.071 10 70 DEIERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cccc2c1OC(C)(C)C2 ZINC000159574379 402326002 /nfs/dbraw/zinc/32/60/02/402326002.db2.gz KGXGSPVLUXLBRJ-DOMZBBRYSA-N 1 0 302.418 2.486 10 70 DEIERO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]CC(=O)NCC(F)(F)F ZINC000160581165 402352408 /nfs/dbraw/zinc/35/24/08/402352408.db2.gz NUPCSJXJSSRECM-VIFPVBQESA-N 1 0 320.359 2.276 10 70 DEIERO CCOC[C@@H](O)C[NH2+][C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000161304362 402381276 /nfs/dbraw/zinc/38/12/76/402381276.db2.gz REBGHZOWONQZND-GUYCJALGSA-N 1 0 303.406 2.229 10 70 DEIERO C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@@H](C)CC(N)=O ZINC000161351500 402383937 /nfs/dbraw/zinc/38/39/37/402383937.db2.gz RXVISDABMODMLQ-MNOVXSKESA-N 1 0 300.349 2.463 10 70 DEIERO CC(C)CNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159931620 402333766 /nfs/dbraw/zinc/33/37/66/402333766.db2.gz RFZSXYSMSXUUNU-ZIAGYGMSSA-N 1 0 315.421 2.079 10 70 DEIERO CCCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159935008 402333791 /nfs/dbraw/zinc/33/37/91/402333791.db2.gz SKWKJATVCQILGP-UONOGXRCSA-N 1 0 315.421 2.223 10 70 DEIERO C[C@H](C(=O)NCc1ccccc1C[NH+](C)C)C1CCOCC1 ZINC000160179587 402337625 /nfs/dbraw/zinc/33/76/25/402337625.db2.gz WGDVFKWJNVWEBJ-AWEZNQCLSA-N 1 0 304.434 2.427 10 70 DEIERO C[C@H]([NH2+]CCCNS(C)(=O)=O)c1ccc(Cl)c(F)c1 ZINC000218228005 337325622 /nfs/dbraw/zinc/32/56/22/337325622.db2.gz FPCJVMGOUYMDAT-VIFPVBQESA-N 1 0 308.806 2.069 10 70 DEIERO CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@H](C)c1c(C)noc1C ZINC000159599388 186130473 /nfs/dbraw/zinc/13/04/73/186130473.db2.gz QORPVTVMFQUBJN-RYUDHWBXSA-N 1 0 310.442 2.424 10 70 DEIERO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cnn(-c2ccc(F)cc2)c1 ZINC000159696459 186136443 /nfs/dbraw/zinc/13/64/43/186136443.db2.gz BLCNULBGWNEIOL-TZMCWYRMSA-N 1 0 316.380 2.097 10 70 DEIERO CCCCOCCCNS(=O)(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000160372001 197404636 /nfs/dbraw/zinc/40/46/36/197404636.db2.gz BQVAOAPZQVFELZ-CYBMUJFWSA-N 1 0 314.451 2.191 10 70 DEIERO COCc1nc(C)c(C(=O)N[C@H](CC(C)C)C[NH+](C)C)s1 ZINC000160249624 197395701 /nfs/dbraw/zinc/39/57/01/197395701.db2.gz GJOBHHBAONSQQD-GFCCVEGCSA-N 1 0 313.467 2.304 10 70 DEIERO C[C@H](NC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C)c1cccs1 ZINC000160149233 197389199 /nfs/dbraw/zinc/38/91/99/197389199.db2.gz SKPWHUMYBVSHHZ-NGOBNIPXSA-N 1 0 308.447 2.458 10 70 DEIERO CCCCOCCOC[C@@H](O)C[NH2+][C@H](C)CCSCC ZINC000160095323 197385547 /nfs/dbraw/zinc/38/55/47/197385547.db2.gz OKMABQRNGSBYAV-CABCVRRESA-N 1 0 307.500 2.302 10 70 DEIERO CN(c1cccnn1)C1CC[NH+](Cc2cnc3ccccn23)CC1 ZINC000159895260 197371836 /nfs/dbraw/zinc/37/18/36/197371836.db2.gz HFQKCPXEWSFIGR-UHFFFAOYSA-N 1 0 322.416 2.225 10 70 DEIERO CCC1(CC)C[C@H]([NH2+][C@@H](C)C(=O)NCC(F)(F)F)CCO1 ZINC000159847010 197368387 /nfs/dbraw/zinc/36/83/87/197368387.db2.gz NTAZIJCPSFCOFA-WDEREUQCSA-N 1 0 310.360 2.381 10 70 DEIERO C[C@H]1OCC[C@H]1[N@H+](C)CCCOc1ccccc1C(N)=S ZINC000159487941 197357874 /nfs/dbraw/zinc/35/78/74/197357874.db2.gz IPMBNMAAXKIVBU-TZMCWYRMSA-N 1 0 308.447 2.199 10 70 DEIERO CC[N@H+](CCc1nccs1)C[C@H](O)COCc1ccco1 ZINC000159435238 402323208 /nfs/dbraw/zinc/32/32/08/402323208.db2.gz QLRHOKDHUQYVAT-ZDUSSCGKSA-N 1 0 310.419 2.178 10 70 DEIERO CN(CC[N@@H+]1CCC[C@H](n2cncn2)C1)Cc1ccc(F)cc1 ZINC000159465790 402323969 /nfs/dbraw/zinc/32/39/69/402323969.db2.gz ZUBUSFQNDHMYKR-KRWDZBQOSA-N 1 0 317.412 2.186 10 70 DEIERO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)C[C@](C)(O)CC ZINC000160519472 402349070 /nfs/dbraw/zinc/34/90/70/402349070.db2.gz MDKRMXUKIMBPMC-QGZVFWFLSA-N 1 0 321.421 2.066 10 70 DEIERO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000160624116 402354417 /nfs/dbraw/zinc/35/44/17/402354417.db2.gz PRMCAJRRGKSMNF-NEPXVJNWSA-N 1 0 317.477 2.433 10 70 DEIERO CCn1cnnc1[C@@H]1CCC[N@H+](CCCOCC(F)(F)F)C1 ZINC000161350879 402383788 /nfs/dbraw/zinc/38/37/88/402383788.db2.gz LAEVEYUVNJHMOG-GFCCVEGCSA-N 1 0 320.359 2.446 10 70 DEIERO Cc1noc(Cl)c1CCC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000161398103 402386607 /nfs/dbraw/zinc/38/66/07/402386607.db2.gz SJXJCIRMZFHSLZ-GWCFXTLKSA-N 1 0 313.829 2.414 10 70 DEIERO Cc1cccc(CNC(=O)C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000160938749 524417640 /nfs/dbraw/zinc/41/76/40/524417640.db2.gz PAMPHVJTTXYYTF-MJGOQNOKSA-N 1 0 316.445 2.238 10 70 DEIERO Cc1cc(S(=O)(=O)NCc2ccc(C[NH3+])cc2)c(C)s1 ZINC000159583708 186129277 /nfs/dbraw/zinc/12/92/77/186129277.db2.gz KOILLFIEFCKDRA-UHFFFAOYSA-N 1 0 310.444 2.302 10 70 DEIERO CC(C)[NH2+]C[C@@H]1COCCN1c1cc(C(F)(F)F)ccn1 ZINC000160475608 197413938 /nfs/dbraw/zinc/41/39/38/197413938.db2.gz GUQOUVTUYFQRDE-GFCCVEGCSA-N 1 0 303.328 2.304 10 70 DEIERO CS(=O)(=O)c1ccc([C@@H]2C[NH2+]CC3(CCCC3)CO2)cc1 ZINC000160255929 197395446 /nfs/dbraw/zinc/39/54/46/197395446.db2.gz UBVVLQLVFJXQEX-HNNXBMFYSA-N 1 0 309.431 2.311 10 70 DEIERO O=C(/C=C/c1ccccc1Cl)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160151382 197389856 /nfs/dbraw/zinc/38/98/56/197389856.db2.gz OPRZTPDZCFLFKI-XVJNWHFHSA-N 1 0 322.836 2.316 10 70 DEIERO O=C(/C=C/c1ccccc1Cl)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160151237 197389589 /nfs/dbraw/zinc/38/95/89/197389589.db2.gz OPRZTPDZCFLFKI-HVHJFMEUSA-N 1 0 322.836 2.316 10 70 DEIERO CC(C)([NH3+])CNC(=O)[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000160094287 197384946 /nfs/dbraw/zinc/38/49/46/197384946.db2.gz UWHRWSLIBXCMPV-RYUDHWBXSA-N 1 0 311.223 2.406 10 70 DEIERO C[C@H](NC(=O)N1CCC(CCC[NH+](C)C)CC1)[C@H]1CCCO1 ZINC000160455418 291666962 /nfs/dbraw/zinc/66/69/62/291666962.db2.gz AKOLQFOHVRHRRQ-GOEBONIOSA-N 1 0 311.470 2.317 10 70 DEIERO C[C@H](NC(=O)N1CCC(CCC[NH+](C)C)CC1)[C@@H]1CCCO1 ZINC000160455188 291667123 /nfs/dbraw/zinc/66/71/23/291667123.db2.gz AKOLQFOHVRHRRQ-HOCLYGCPSA-N 1 0 311.470 2.317 10 70 DEIERO CC[C@H]1CCN(S(=O)(=O)c2ccc(C[NH3+])c(Cl)c2)C1 ZINC000159431076 197353260 /nfs/dbraw/zinc/35/32/60/197353260.db2.gz GHHZRCSEZVSVGX-JTQLQIEISA-N 1 0 302.827 2.219 10 70 DEIERO C[C@H]1C[C@H]([NH2+][C@@H]2CCC(=O)N(C)C2=O)c2ccsc2S1 ZINC000217005704 402290579 /nfs/dbraw/zinc/29/05/79/402290579.db2.gz OQKPXOSUHXSNSH-GDPRMGEGSA-N 1 0 310.444 2.411 10 70 DEIERO CCC[C@H](C(=O)N1CCN(c2ccccc2F)CC1)[NH+](C)C ZINC000161154787 402375508 /nfs/dbraw/zinc/37/55/08/402375508.db2.gz NZGJNEUQIQRWLB-MRXNPFEDSA-N 1 0 307.413 2.205 10 70 DEIERO COC(=O)C[C@H](C)C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000160584757 523320348 /nfs/dbraw/zinc/32/03/48/523320348.db2.gz UREKIQPSKRNWPB-ZDUSSCGKSA-N 1 0 304.390 2.420 10 70 DEIERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(OCC(F)F)cc1 ZINC000159548032 186126305 /nfs/dbraw/zinc/12/63/05/186126305.db2.gz SKXFQYSUWAOJRR-YPMHNXCESA-N 1 0 312.360 2.416 10 70 DEIERO CC[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1C)C(N)=[NH2+] ZINC000160935059 197452182 /nfs/dbraw/zinc/45/21/82/197452182.db2.gz LZUKVTYPKFKEKW-VIFPVBQESA-N 1 0 323.340 2.007 10 70 DEIERO CS(=O)(=O)c1ccc([C@H]2C[NH2+]CC3(CCCC3)CO2)cc1 ZINC000160256021 197396029 /nfs/dbraw/zinc/39/60/29/197396029.db2.gz UBVVLQLVFJXQEX-OAHLLOKOSA-N 1 0 309.431 2.311 10 70 DEIERO Cc1nn(-c2ccccc2)cc1C[N@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000159532461 402325174 /nfs/dbraw/zinc/32/51/74/402325174.db2.gz JULHMLITUBKBHF-DZGCQCFKSA-N 1 0 312.417 2.267 10 70 DEIERO CC[C@]1(C)C[C@@H]1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160324547 402340531 /nfs/dbraw/zinc/34/05/31/402340531.db2.gz LSARPKFWNXPBIA-XLMAVXFVSA-N 1 0 308.466 2.307 10 70 DEIERO CCn1c(C)nnc1CN1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000160914705 402365388 /nfs/dbraw/zinc/36/53/88/402365388.db2.gz BJJYVMZEHODEAH-HNNXBMFYSA-N 1 0 314.437 2.244 10 70 DEIERO C/C(=C/c1ccc(Cl)cc1)C[NH2+]CCCNS(C)(=O)=O ZINC000159922066 402333797 /nfs/dbraw/zinc/33/37/97/402333797.db2.gz JGMWHQXOVNRAMW-BENRWUELSA-N 1 0 316.854 2.272 10 70 DEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cccc2ccccc21 ZINC000160362388 267454725 /nfs/dbraw/zinc/45/47/25/267454725.db2.gz VJPSNSNIDULUHH-INIZCTEOSA-N 1 0 312.413 2.416 10 70 DEIERO CCC[C@@H](C(=O)N(C)Cc1ccc(OC)cc1OC)[NH+](C)C ZINC000161221091 276020489 /nfs/dbraw/zinc/02/04/89/276020489.db2.gz FKFPZZNYGAAILN-HNNXBMFYSA-N 1 0 308.422 2.393 10 70 DEIERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(N(C)C)cc1F ZINC000160002288 521631132 /nfs/dbraw/zinc/63/11/32/521631132.db2.gz ZWOPMBJOHUWQQS-CQSZACIVSA-N 1 0 307.413 2.448 10 70 DEIERO C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)N1C(=O)C1CC[NH2+]CC1 ZINC000159548306 186126516 /nfs/dbraw/zinc/12/65/16/186126516.db2.gz YMLLMHRTXQQSQA-JKIFEVAISA-N 1 0 302.418 2.363 10 70 DEIERO CC[C@@H](CO)[NH+]1CCN(c2ccnc3c(F)cc(F)cc23)CC1 ZINC000159742053 186139199 /nfs/dbraw/zinc/13/91/99/186139199.db2.gz RERNJULOXSGSBH-ZDUSSCGKSA-N 1 0 321.371 2.406 10 70 DEIERO Cc1ccc(NS(=O)(=O)CCC[NH2+]C(C)C)cc1N(C)C ZINC000161326807 197485642 /nfs/dbraw/zinc/48/56/42/197485642.db2.gz RZQLHCNMGYEKNI-UHFFFAOYSA-N 1 0 313.467 2.191 10 70 DEIERO COc1cc(NS(=O)(=O)c2ccccc2C[NH3+])ccc1F ZINC000160233938 197394950 /nfs/dbraw/zinc/39/49/50/197394950.db2.gz GZEUBIXZDIXGMQ-UHFFFAOYSA-N 1 0 310.350 2.094 10 70 DEIERO CCN(Cc1cccs1)C(=O)[C@]1([NH3+])[C@H]2CCO[C@@H]2C1(C)C ZINC000160241480 197395079 /nfs/dbraw/zinc/39/50/79/197395079.db2.gz VHZUWFIHDFHNOU-HEHGZKQESA-N 1 0 308.447 2.239 10 70 DEIERO CNC(=O)c1cccnc1N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000160230537 197394184 /nfs/dbraw/zinc/39/41/84/197394184.db2.gz ILSVKWXOTFSTCM-YOEHRIQHSA-N 1 0 324.428 2.374 10 70 DEIERO CCSCC[C@H](C)[NH2+][C@@H]1CC(=O)N(C(CC)CC)C1=O ZINC000160077363 197383933 /nfs/dbraw/zinc/38/39/33/197383933.db2.gz MFPWWKHKJHZFFV-WCQYABFASA-N 1 0 300.468 2.424 10 70 DEIERO COCC[NH2+]C[C@H]1CCc2nc(CSC(C)C)ncc2C1 ZINC000160078150 197384581 /nfs/dbraw/zinc/38/45/81/197384581.db2.gz SDNHEUNQMHXURT-ZDUSSCGKSA-N 1 0 309.479 2.459 10 70 DEIERO CC(C)[N@@H+](CCc1nccs1)C[C@H](C)CS(C)(=O)=O ZINC000159927030 197374083 /nfs/dbraw/zinc/37/40/83/197374083.db2.gz YYAZINDTUKIDMX-LBPRGKRZSA-N 1 0 304.481 2.077 10 70 DEIERO COCCC[C@H]([NH3+])CN1CCN(c2cccc(Cl)c2)CC1 ZINC000159508990 197359183 /nfs/dbraw/zinc/35/91/83/197359183.db2.gz RDHYALIINOHSAY-HNNXBMFYSA-N 1 0 311.857 2.216 10 70 DEIERO CC(C)(C)[C@@H]1CCN(S(=O)(=O)c2ccc(F)c(C[NH3+])c2)C1 ZINC000159419724 197352561 /nfs/dbraw/zinc/35/25/61/197352561.db2.gz XGJZPFKGYJVDMV-GFCCVEGCSA-N 1 0 314.426 2.341 10 70 DEIERO C[C@H]1C[C@H]([NH2+][C@H]2CCC(=O)N(C)C2=O)c2ccsc2S1 ZINC000217005722 402290688 /nfs/dbraw/zinc/29/06/88/402290688.db2.gz OQKPXOSUHXSNSH-LSJOCFKGSA-N 1 0 310.444 2.411 10 70 DEIERO COc1ccc(C[NH+]2CCC(c3ccnn3CCO)CC2)cc1 ZINC000160554064 402350622 /nfs/dbraw/zinc/35/06/22/402350622.db2.gz LLXRZKCMSFNKNK-UHFFFAOYSA-N 1 0 315.417 2.264 10 70 DEIERO CC(C)c1nccn1CCC(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000161147072 402375458 /nfs/dbraw/zinc/37/54/58/402375458.db2.gz IFIREHKPJPTLSW-CABCVRRESA-N 1 0 306.454 2.242 10 70 DEIERO CC(C)Nc1ncccc1C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000161155995 402375472 /nfs/dbraw/zinc/37/54/72/402375472.db2.gz KACQNKPWEAUPPE-HIFRSBDPSA-N 1 0 304.438 2.360 10 70 DEIERO Cc1noc(C)c1CSCC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161333098 402383575 /nfs/dbraw/zinc/38/35/75/402383575.db2.gz LCDAEQCLJTZOJH-PBWFPOADSA-N 1 0 323.462 2.266 10 70 DEIERO CN(C(=O)COc1ccccc1Cl)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161368692 402384374 /nfs/dbraw/zinc/38/43/74/402384374.db2.gz XAPRINOWDZBNHP-FUNVUKJBSA-N 1 0 308.809 2.460 10 70 DEIERO CCC[C@H](C(=O)NCCc1cnn(-c2ccccc2)c1)[NH+](C)C ZINC000161373041 402385100 /nfs/dbraw/zinc/38/51/00/402385100.db2.gz WLROCAYMFXSDOJ-QGZVFWFLSA-N 1 0 314.433 2.261 10 70 DEIERO Cc1ccccc1[C@@H]1C[C@H]1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000159933747 402333569 /nfs/dbraw/zinc/33/35/69/402333569.db2.gz AYYJQYWJJXMAKU-RYQLBKOJSA-N 1 0 316.445 2.062 10 70 DEIERO Cc1ccc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1Cl ZINC000160240224 526178535 /nfs/dbraw/zinc/17/85/35/526178535.db2.gz LRRWCVCDMHLVHB-AWEZNQCLSA-N 1 0 310.825 2.225 10 70 DEIERO CC(C)[NH2+]C[C@@H]1COCCN1c1ncccc1C(F)(F)F ZINC000160472398 197413761 /nfs/dbraw/zinc/41/37/61/197413761.db2.gz ORYFAVOPVQPPCK-LLVKDONJSA-N 1 0 303.328 2.304 10 70 DEIERO COCc1nc(C)c(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)s1 ZINC000160249494 197395778 /nfs/dbraw/zinc/39/57/78/197395778.db2.gz GJOBHHBAONSQQD-LBPRGKRZSA-N 1 0 313.467 2.304 10 70 DEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1c(F)cccc1Cl ZINC000160272767 197396811 /nfs/dbraw/zinc/39/68/11/197396811.db2.gz ODIOKGVCVVIQPK-NSHDSACASA-N 1 0 314.788 2.056 10 70 DEIERO CC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(C(N)=S)c2)C1 ZINC000159908851 197372684 /nfs/dbraw/zinc/37/26/84/197372684.db2.gz FZXZFNPQXDRGJR-NWDGAFQWSA-N 1 0 305.447 2.380 10 70 DEIERO COC[C@@H]([NH3+])C(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000159440142 197353372 /nfs/dbraw/zinc/35/33/72/197353372.db2.gz HUOORQHOTNXTCH-OCCSQVGLSA-N 1 0 308.378 2.067 10 70 DEIERO O=C(NC[C@H](O)c1cc2ccccc2s1)[C@@H]1CCC[NH2+]C1 ZINC000160281557 144796963 /nfs/dbraw/zinc/79/69/63/144796963.db2.gz WYPOEQBADXUQNB-OLZOCXBDSA-N 1 0 304.415 2.051 10 70 DEIERO C/C(=C/C(=O)NC[C@H](O)C[NH+]1CCCCC1)c1cccc(F)c1 ZINC000160563734 402351132 /nfs/dbraw/zinc/35/11/32/402351132.db2.gz LXTCBYFGIYXUAP-QXSWTLKVSA-N 1 0 320.408 2.192 10 70 DEIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)Oc1cccnc1 ZINC000160520389 519721702 /nfs/dbraw/zinc/72/17/02/519721702.db2.gz VXXPXUQBJUFFII-LSDHHAIUSA-N 1 0 305.422 2.086 10 70 DEIERO Cc1cccc(C)c1OCC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161442461 197495570 /nfs/dbraw/zinc/49/55/70/197495570.db2.gz ALZRYDKURPWVPK-XYPWUTKMSA-N 1 0 302.418 2.424 10 70 DEIERO CC(=O)c1c(C)[nH]c(C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1C ZINC000161439342 197495267 /nfs/dbraw/zinc/49/52/67/197495267.db2.gz CRFBBZCLIZDGDT-PBWFPOADSA-N 1 0 303.406 2.189 10 70 DEIERO Cc1nn(C)c2ncc(C[N@@H+]3CC[C@]4(O)CCCC[C@@H]4C3)cc12 ZINC000160730905 197434958 /nfs/dbraw/zinc/43/49/58/197434958.db2.gz DHBIVVUTUAKABU-CRAIPNDOSA-N 1 0 314.433 2.404 10 70 DEIERO CC(C)([NH3+])CNC(=O)[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000160093989 197385267 /nfs/dbraw/zinc/38/52/67/197385267.db2.gz UWHRWSLIBXCMPV-NEPJUHHUSA-N 1 0 311.223 2.406 10 70 DEIERO CC[NH2+]C[C@H](C[C@H]1CCCN(S(C)(=O)=O)C1)C1CCCC1 ZINC000159937660 197374870 /nfs/dbraw/zinc/37/48/70/197374870.db2.gz HPUWOEDMJUDSPE-ZBFHGGJFSA-N 1 0 316.511 2.464 10 70 DEIERO C[C@H]1OCC[C@H]1[N@H+](C)CCCOc1ccc(C(N)=S)cc1 ZINC000159491506 197358027 /nfs/dbraw/zinc/35/80/27/197358027.db2.gz ZBIYVCIHMWFVEI-IUODEOHRSA-N 1 0 308.447 2.199 10 70 DEIERO CC[NH2+]Cc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H]2C)s1 ZINC000159512919 197360334 /nfs/dbraw/zinc/36/03/34/197360334.db2.gz OKPXDDJMKPKUCX-QWRGUYRKSA-N 1 0 302.465 2.277 10 70 DEIERO O=C(Nc1nccs1)[C@@H]1CCCN1CCC[NH+]1CCCCC1 ZINC000161431697 402387106 /nfs/dbraw/zinc/38/71/06/402387106.db2.gz XGYWIRJWXCKKTB-AWEZNQCLSA-N 1 0 322.478 2.422 10 70 DEIERO Cc1nc(C[C@H]2CCC[N@@H+](Cc3c(C)nn(C)c3C)C2)no1 ZINC000161051291 402370955 /nfs/dbraw/zinc/37/09/55/402370955.db2.gz GDEIDMHHMIWQGZ-CQSZACIVSA-N 1 0 303.410 2.183 10 70 DEIERO C[C@@H](O)C1CC[NH+](CC2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC000159619582 402327136 /nfs/dbraw/zinc/32/71/36/402327136.db2.gz YAAOYBJNYNTONE-CQSZACIVSA-N 1 0 310.482 2.364 10 70 DEIERO CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCO[C@H](c2ccc(C)o2)C1 ZINC000161505851 402390093 /nfs/dbraw/zinc/39/00/93/402390093.db2.gz SMSPYRLRDNPGNY-HOCLYGCPSA-N 1 0 321.421 2.155 10 70 DEIERO Cc1cc(C)nc(SCC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)n1 ZINC000161267924 524600059 /nfs/dbraw/zinc/60/00/59/524600059.db2.gz PHZIAALKIHAZOS-SMDDNHRTSA-N 1 0 322.478 2.030 10 70 DEIERO CCOC(C)(C)CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C)cc1 ZINC000159553255 186127164 /nfs/dbraw/zinc/12/71/64/186127164.db2.gz ZXQZYIFXJYEFKP-LBPRGKRZSA-N 1 0 314.451 2.060 10 70 DEIERO [NH3+]Cc1ccc(CNS(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000159583371 186128957 /nfs/dbraw/zinc/12/89/57/186128957.db2.gz LMMXQRKEEBNUNR-UHFFFAOYSA-N 1 0 310.806 2.277 10 70 DEIERO CC1(OCc2nc(-c3cccc(Br)c3)no2)C[NH2+]C1 ZINC000161048168 197459816 /nfs/dbraw/zinc/45/98/16/197459816.db2.gz PFJCAIAYJWXGHG-UHFFFAOYSA-N 1 0 324.178 2.378 10 70 DEIERO CCS(=O)(=O)CCC[C@H](C[NH2+]CCOC)C1CCCC1 ZINC000160031339 197380955 /nfs/dbraw/zinc/38/09/55/197380955.db2.gz VNWXREWZABKYHV-OAHLLOKOSA-N 1 0 305.484 2.244 10 70 DEIERO CC(C)[C@@H]1CC[N@H+](CC(=O)Nc2ccc(C(N)=S)cc2)C1 ZINC000159891569 197372101 /nfs/dbraw/zinc/37/21/01/197372101.db2.gz KHOUMAUUZWMTAI-CYBMUJFWSA-N 1 0 305.447 2.237 10 70 DEIERO CC[NH2+]C[C@@H](O)c1ncc(Br)cc1Br ZINC000159797303 197365936 /nfs/dbraw/zinc/36/59/36/197365936.db2.gz GPVCZBBHKUQSEW-MRVPVSSYSA-N 1 0 324.016 2.250 10 70 DEIERO C[C@H]1OCC[C@H]1[N@H+](C)CCCOc1cccc(C(N)=S)c1 ZINC000159490955 197357574 /nfs/dbraw/zinc/35/75/74/197357574.db2.gz CTBPMIAQIPQNOC-IUODEOHRSA-N 1 0 308.447 2.199 10 70 DEIERO CO[C@H]1C[NH2+]C[C@H]1n1cncc1-c1ccc(Br)cc1 ZINC000159508611 197358758 /nfs/dbraw/zinc/35/87/58/197358758.db2.gz NQKXMXLJQFGBCP-KGLIPLIRSA-N 1 0 322.206 2.472 10 70 DEIERO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cccc2c1OC(C)(C)C2 ZINC000159574507 402325994 /nfs/dbraw/zinc/32/59/94/402325994.db2.gz KGXGSPVLUXLBRJ-WFASDCNBSA-N 1 0 302.418 2.486 10 70 DEIERO COC(=O)c1cc(C[NH+]2CCC(c3cc[nH]n3)CC2)oc1C ZINC000160542220 402350722 /nfs/dbraw/zinc/35/07/22/402350722.db2.gz ARPSPEFHCOODRX-UHFFFAOYSA-N 1 0 303.362 2.477 10 70 DEIERO Cc1ccsc1CNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000160679258 402356662 /nfs/dbraw/zinc/35/66/62/402356662.db2.gz JOFYEUQCIAGWQD-PVXIVEMSSA-N 1 0 308.447 2.205 10 70 DEIERO COCCC1(CNC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000160759744 402359514 /nfs/dbraw/zinc/35/95/14/402359514.db2.gz GGPCRCSDKYKTFP-OAHLLOKOSA-N 1 0 311.470 2.223 10 70 DEIERO CCC(CC)(C[NH3+])C(=O)NCc1cn2cc(Cl)ccc2n1 ZINC000161266159 402379674 /nfs/dbraw/zinc/37/96/74/402379674.db2.gz OWWHIXLABQXOPF-UHFFFAOYSA-N 1 0 308.813 2.369 10 70 DEIERO CC(C)[C@H](C(=O)NC[C@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000160206385 519809519 /nfs/dbraw/zinc/80/95/19/519809519.db2.gz OADVHFWVMPCKQG-ROUUACIJSA-N 1 0 318.461 2.389 10 70 DEIERO O=C(NCCc1cc(F)ccc1F)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000159668322 186134171 /nfs/dbraw/zinc/13/41/71/186134171.db2.gz ZDXIRRIZYHGFTE-QGZVFWFLSA-N 1 0 316.351 2.338 10 70 DEIERO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cnn(-c2ccc(F)cc2)c1 ZINC000159696599 186136331 /nfs/dbraw/zinc/13/63/31/186136331.db2.gz BLCNULBGWNEIOL-GXTWGEPZSA-N 1 0 316.380 2.097 10 70 DEIERO C[NH2+]C[C@@H]1CCc2nc(Cc3nc(C)cs3)nc(C)c2C1 ZINC000160136416 197388091 /nfs/dbraw/zinc/38/80/91/197388091.db2.gz NTOBXAPKRHTBFP-GFCCVEGCSA-N 1 0 302.447 2.465 10 70 DEIERO CCSCC[C@H](C)[NH2+]Cc1ccc(S(=O)(=O)N(C)C)o1 ZINC000159943140 197374831 /nfs/dbraw/zinc/37/48/31/197374831.db2.gz HSEZPXQKAWLAKE-NSHDSACASA-N 1 0 320.480 2.151 10 70 DEIERO COCCOc1ccc([C@@H](C)[NH2+]CCCN2CCCC2=O)cc1 ZINC000159499016 197358435 /nfs/dbraw/zinc/35/84/35/197358435.db2.gz AGGLFYIOSMOYMC-OAHLLOKOSA-N 1 0 320.433 2.375 10 70 DEIERO C[C@@H]1OCC[C@@H]1[N@H+](C)CCOc1ccc(CC(N)=S)cc1 ZINC000159489811 197357753 /nfs/dbraw/zinc/35/77/53/197357753.db2.gz RNGLOXVLOICLFT-WFASDCNBSA-N 1 0 308.447 2.003 10 70 DEIERO CCC[NH2+][C@@H](CSc1nnc2ccccn21)[C@@H]1CCOC1 ZINC000159363096 197347335 /nfs/dbraw/zinc/34/73/35/197347335.db2.gz JZVLWBIKIXIJPV-OLZOCXBDSA-N 1 0 306.435 2.226 10 70 DEIERO O=C(Nc1nccs1)[C@H]1CCCN1CCC[NH+]1CCCCC1 ZINC000161431814 402387133 /nfs/dbraw/zinc/38/71/33/402387133.db2.gz XGYWIRJWXCKKTB-CQSZACIVSA-N 1 0 322.478 2.422 10 70 DEIERO CC[C@](C)(O)C[N@@H+]1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000160821513 402361918 /nfs/dbraw/zinc/36/19/18/402361918.db2.gz ZPSMRUWXXHLWKE-BBRMVZONSA-N 1 0 300.443 2.479 10 70 DEIERO CCC[C@H](C(=O)N1CCN(Cc2ccccc2)CC1)[NH+](C)C ZINC000161140724 402374775 /nfs/dbraw/zinc/37/47/75/402374775.db2.gz LMFSBUARFQJPSR-QGZVFWFLSA-N 1 0 303.450 2.061 10 70 DEIERO CCn1cnnc1[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(F)cc2)C1 ZINC000161286130 402380486 /nfs/dbraw/zinc/38/04/86/402380486.db2.gz REXNIQCIEHZVOL-ZBFHGGJFSA-N 1 0 318.396 2.350 10 70 DEIERO C[C@H](CC(=O)NC[C@H](O)C[NH+]1CCCCC1)c1ccccc1F ZINC000160212904 402338028 /nfs/dbraw/zinc/33/80/28/402338028.db2.gz SJMGDHMGUWFJHK-CABCVRRESA-N 1 0 322.424 2.282 10 70 DEIERO CC[C@H](C(=O)N1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1)[NH+](C)C ZINC000159978107 276542126 /nfs/dbraw/zinc/54/21/26/276542126.db2.gz UERCIXGZUAHWHM-MAZHCROVSA-N 1 0 308.397 2.454 10 70 DEIERO CC(=O)NC1CCC([NH2+][C@@H](Cc2ccccc2)CN(C)C)CC1 ZINC000161335099 277025006 /nfs/dbraw/zinc/02/50/06/277025006.db2.gz VLXQWNWGJSIRQI-ACBHZAAOSA-N 1 0 317.477 2.196 10 70 DEIERO CN(C)C[C@H](Cc1ccccc1)[NH2+]C1CCC2(CC1)OCCO2 ZINC000161335485 289207209 /nfs/dbraw/zinc/20/72/09/289207209.db2.gz MKMYVZJWXYJCCM-SFHVURJKSA-N 1 0 318.461 2.435 10 70 DEIERO Brc1cccc(-c2cncn2C[C@H]2C[NH2+]CCO2)c1 ZINC000159596751 186129513 /nfs/dbraw/zinc/12/95/13/186129513.db2.gz XZRFIMVUCYHUPV-CYBMUJFWSA-N 1 0 322.206 2.301 10 70 DEIERO Brc1ccc(-c2cncn2C[C@H]2C[NH2+]CCO2)cc1 ZINC000159597020 186129847 /nfs/dbraw/zinc/12/98/47/186129847.db2.gz ITUXUZPOHDHJIM-CYBMUJFWSA-N 1 0 322.206 2.301 10 70 DEIERO [NH3+]Cc1ccc(CNS(=O)(=O)c2ccccc2Cl)cc1 ZINC000159592535 186129890 /nfs/dbraw/zinc/12/98/90/186129890.db2.gz PIURPPIVRUTEEO-UHFFFAOYSA-N 1 0 310.806 2.277 10 70 DEIERO C[C@@H]1CN(C(=O)C[C@@H]2CCC[NH2+]2)C[C@H](c2ccc(F)cc2)O1 ZINC000160512807 197418343 /nfs/dbraw/zinc/41/83/43/197418343.db2.gz BSXNMBHUPGXTFO-UHOFOFEASA-N 1 0 306.381 2.256 10 70 DEIERO CCN(CC)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159936887 197375150 /nfs/dbraw/zinc/37/51/50/197375150.db2.gz HYKSOUQEXWLNBG-ZIAGYGMSSA-N 1 0 315.421 2.175 10 70 DEIERO C[C@H]1C[C@H](C)N(S(=O)(=O)c2cc(C[NH3+])ccc2Cl)C1 ZINC000159514024 197359523 /nfs/dbraw/zinc/35/95/23/197359523.db2.gz SYWCKJZNLJSEFB-UWVGGRQHSA-N 1 0 302.827 2.218 10 70 DEIERO CC(C)(C)[C@H]1CCN(S(=O)(=O)Cc2ccc(C[NH3+])cc2)C1 ZINC000159420419 197352327 /nfs/dbraw/zinc/35/23/27/197352327.db2.gz KCNWGNAGQSAHBE-HNNXBMFYSA-N 1 0 310.463 2.343 10 70 DEIERO COCCC1(CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000161046400 284858666 /nfs/dbraw/zinc/85/86/66/284858666.db2.gz AHHCWZDIESYASF-INIZCTEOSA-N 1 0 323.481 2.463 10 70 DEIERO CC(C)c1ccc(OCC[NH2+]C2CCN(C(N)=O)CC2)cc1 ZINC000160327507 402341203 /nfs/dbraw/zinc/34/12/03/402341203.db2.gz RQCVCMWKFWEVRQ-UHFFFAOYSA-N 1 0 305.422 2.322 10 70 DEIERO CC(C)c1nc(N[C@H]2C[N@H+](C(C)C)C[C@H]2C)nc(N(C)C)n1 ZINC000160467322 402346836 /nfs/dbraw/zinc/34/68/36/402346836.db2.gz PSWMWQOOYDIJRK-OLZOCXBDSA-N 1 0 306.458 2.202 10 70 DEIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc([S@@](C)=O)cc1 ZINC000160593217 402352892 /nfs/dbraw/zinc/35/28/92/402352892.db2.gz UTWDLZXZHWKPIZ-QRQCRPRQSA-N 1 0 322.474 2.274 10 70 DEIERO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000159624170 402327013 /nfs/dbraw/zinc/32/70/13/402327013.db2.gz BLVBXVYSBGKGKM-OAHLLOKOSA-N 1 0 319.453 2.173 10 70 DEIERO CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000159624276 402327062 /nfs/dbraw/zinc/32/70/62/402327062.db2.gz BLVBXVYSBGKGKM-HNNXBMFYSA-N 1 0 319.453 2.173 10 70 DEIERO CC[C@@H](C(=O)NCc1ccc(N2CCCCC2=O)cc1)[NH+](C)C ZINC000161475840 521849660 /nfs/dbraw/zinc/84/96/60/521849660.db2.gz LXXQKUPGFAEOER-INIZCTEOSA-N 1 0 317.433 2.160 10 70 DEIERO Cc1nn(-c2ccccc2)cc1C[N@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000159532608 282244803 /nfs/dbraw/zinc/24/48/03/282244803.db2.gz JULHMLITUBKBHF-ZFWWWQNUSA-N 1 0 312.417 2.267 10 70 DEIERO Clc1ccccc1-c1cncn1CCCN1CC[NH2+]CC1 ZINC000159628035 186131842 /nfs/dbraw/zinc/13/18/42/186131842.db2.gz UHOYXXPYAOOQLF-UHFFFAOYSA-N 1 0 304.825 2.499 10 70 DEIERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1cc(C(=O)OC)cs1 ZINC000161047468 197460343 /nfs/dbraw/zinc/46/03/43/197460343.db2.gz PKGCMCCKGDRNGI-JTQLQIEISA-N 1 0 313.423 2.387 10 70 DEIERO Cc1nnc(NCC2([NH+](C)C)CCCC2)c(C(N)=S)c1C ZINC000160888287 197447571 /nfs/dbraw/zinc/44/75/71/197447571.db2.gz ZEKZZJFGOADIFN-UHFFFAOYSA-N 1 0 307.467 2.014 10 70 DEIERO C[C@H](c1cccs1)N(C)C(=O)[C@]1([NH3+])[C@@H]2CCO[C@@H]2C1(C)C ZINC000160269781 197396925 /nfs/dbraw/zinc/39/69/25/197396925.db2.gz GVUOXPZSXMYQAF-RLSLPTNOSA-N 1 0 308.447 2.410 10 70 DEIERO CC(C)(C)[C@H]1CCN(S(=O)(=O)CC[C@@H]2CCCC[NH2+]2)C1 ZINC000159964404 197376698 /nfs/dbraw/zinc/37/66/98/197376698.db2.gz DLVVXZYHAGIQSI-KBPBESRZSA-N 1 0 302.484 2.216 10 70 DEIERO CC[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C(N)=S)C1 ZINC000159902211 197371749 /nfs/dbraw/zinc/37/17/49/197371749.db2.gz YTPJBFHEVZVLRC-RYUDHWBXSA-N 1 0 305.447 2.380 10 70 DEIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000160437174 402345301 /nfs/dbraw/zinc/34/53/01/402345301.db2.gz UMRYESDGBRBBIE-QBPKDAKJSA-N 1 0 323.481 2.364 10 70 DEIERO Cc1ccc(CNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)s1 ZINC000160439335 402345403 /nfs/dbraw/zinc/34/54/03/402345403.db2.gz HOOREDARYJELFV-DVOMOZLQSA-N 1 0 308.447 2.205 10 70 DEIERO CC(C)(C(=O)NC[C@H](O)C[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000160636855 402355008 /nfs/dbraw/zinc/35/50/08/402355008.db2.gz MQVIBMRFHAGNMJ-INIZCTEOSA-N 1 0 322.424 2.066 10 70 DEIERO CCC[C@H](C(=O)NCc1cc(OC)c(OC)c(OC)c1)[NH+](C)C ZINC000161277504 402379841 /nfs/dbraw/zinc/37/98/41/402379841.db2.gz GVUXBZHHXMZTEX-CYBMUJFWSA-N 1 0 324.421 2.059 10 70 DEIERO CCC[C@H](C(=O)NCc1cnn(-c2ccccc2)c1)[NH+](C)C ZINC000161371060 520982478 /nfs/dbraw/zinc/98/24/78/520982478.db2.gz LFCZHCILTMAAAC-MRXNPFEDSA-N 1 0 300.406 2.219 10 70 DEIERO C[C@@H]1C[C@H]1CNS(=O)(=O)c1ccc(Cl)c(C[NH3+])c1Cl ZINC000160897414 197447923 /nfs/dbraw/zinc/44/79/23/197447923.db2.gz MFMZSTDTIFTWNE-SFYZADRCSA-N 1 0 323.245 2.386 10 70 DEIERO C/C(=C/C(=O)NC[C@H](O)C[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000160024800 197379969 /nfs/dbraw/zinc/37/99/69/197379969.db2.gz RAFJGXAQJCUWMU-IFCKCIONSA-N 1 0 320.408 2.192 10 70 DEIERO CCC[NH2+]C[C@H]1CCc2nc([C@H]3CSCCO3)ncc2C1 ZINC000159999051 197378528 /nfs/dbraw/zinc/37/85/28/197378528.db2.gz SJSZRARBPBSMOU-SWLSCSKDSA-N 1 0 307.463 2.386 10 70 DEIERO C[C@@H]([NH2+][C@H](C)c1ccc(-n2ccnn2)cc1)C(=O)NC(C)(C)C ZINC000159953969 197376337 /nfs/dbraw/zinc/37/63/37/197376337.db2.gz JVTYROGEVYEQMD-CHWSQXEVSA-N 1 0 315.421 2.221 10 70 DEIERO CC[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C(N)=S)cc2)C1 ZINC000159907114 197372551 /nfs/dbraw/zinc/37/25/51/197372551.db2.gz RYXFKYZZLHOGGT-RYUDHWBXSA-N 1 0 305.447 2.380 10 70 DEIERO NC(=O)N1CCC([NH2+]CC2(Sc3ccccc3)CC2)CC1 ZINC000160477367 402346960 /nfs/dbraw/zinc/34/69/60/402346960.db2.gz CWQYGHSGYFDZTN-UHFFFAOYSA-N 1 0 305.447 2.444 10 70 DEIERO Cc1cc(Cl)ccc1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160535603 402349834 /nfs/dbraw/zinc/34/98/34/402349834.db2.gz ARMBMXQCQFRDRS-AWEZNQCLSA-N 1 0 310.825 2.225 10 70 DEIERO COCC[N@H+](C)CCNC(=O)c1[nH]c2ccc(C)cc2c1C ZINC000161175220 402376467 /nfs/dbraw/zinc/37/64/67/402376467.db2.gz OBGLTQFFKZZFIP-UHFFFAOYSA-N 1 0 303.406 2.093 10 70 DEIERO CCNC(=O)C(C)(C)CNc1cc(C)nc(-c2ccncc2)n1 ZINC000161344905 402383914 /nfs/dbraw/zinc/38/39/14/402383914.db2.gz ZYEQWDTWUODADN-UHFFFAOYSA-N 1 0 313.405 2.421 10 70 DEIERO CCC[C@H](C(=O)N(C)Cc1ccc(OC)cc1OC)[NH+](C)C ZINC000161221224 276037173 /nfs/dbraw/zinc/03/71/73/276037173.db2.gz FKFPZZNYGAAILN-OAHLLOKOSA-N 1 0 308.422 2.393 10 70 DEIERO CCC(CC)(C[NH3+])C(=O)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000161229005 197476689 /nfs/dbraw/zinc/47/66/89/197476689.db2.gz PXRIKRIFKALXIB-HNNXBMFYSA-N 1 0 317.433 2.063 10 70 DEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)C1C2CC3CC(C2)CC1C3 ZINC000160302362 197398833 /nfs/dbraw/zinc/39/88/33/197398833.db2.gz ZQSBAKNKMXNRGC-NFSPANSCSA-N 1 0 320.477 2.022 10 70 DEIERO CC(C)(CO)C[NH2+]Cc1cccc(NC(=O)C(F)(F)F)c1 ZINC000160125179 197387968 /nfs/dbraw/zinc/38/79/68/197387968.db2.gz MHSONLGRJIRAGS-UHFFFAOYSA-N 1 0 304.312 2.296 10 70 DEIERO COc1ccc(Cl)cc1CN1C(=O)CC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000160001902 197379623 /nfs/dbraw/zinc/37/96/23/197379623.db2.gz OMLSTTCTIYONEB-RISCZKNCSA-N 1 0 308.809 2.449 10 70 DEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cc2ccccc2o1 ZINC000160005352 197379423 /nfs/dbraw/zinc/37/94/23/197379423.db2.gz MBXOVLOBWYACEG-AWEZNQCLSA-N 1 0 302.374 2.009 10 70 DEIERO Cc1ccc2cc(C(=O)NC[C@H](O)C[NH+]3CCCCC3)[nH]c2c1 ZINC000159973843 197377987 /nfs/dbraw/zinc/37/79/87/197377987.db2.gz RHLASJYWPFKCTB-HNNXBMFYSA-N 1 0 315.417 2.053 10 70 DEIERO CC[C@H]1CCN(S(=O)(=O)c2ccc(C[NH3+])cc2Cl)C1 ZINC000159432438 197353664 /nfs/dbraw/zinc/35/36/64/197353664.db2.gz UDJZINLRXHAKAR-JTQLQIEISA-N 1 0 302.827 2.219 10 70 DEIERO CC[N@H+](CCc1nccs1)C[C@H](O)COc1ccccc1 ZINC000159437108 197353300 /nfs/dbraw/zinc/35/33/00/197353300.db2.gz PRVZUSHAEGZYRM-AWEZNQCLSA-N 1 0 306.431 2.447 10 70 DEIERO CC(C)Oc1cc(Br)cc(C(=O)NCCC[NH3+])c1 ZINC000160064524 197383190 /nfs/dbraw/zinc/38/31/90/197383190.db2.gz OIDBNWJDJHNYJO-UHFFFAOYSA-N 1 0 315.211 2.315 10 70 DEIERO CCC[C@@H](C(=O)N1CCN(Cc2ccccc2)CC1)[NH+](C)C ZINC000161140560 402374524 /nfs/dbraw/zinc/37/45/24/402374524.db2.gz LMFSBUARFQJPSR-KRWDZBQOSA-N 1 0 303.450 2.061 10 70 DEIERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2c(Cl)nc3ccccn32)C1 ZINC000161283254 402380468 /nfs/dbraw/zinc/38/04/68/402380468.db2.gz JQCFPEKCAXQFHR-NEPJUHHUSA-N 1 0 320.824 2.446 10 70 DEIERO COCCC1(CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000161046512 292302007 /nfs/dbraw/zinc/30/20/07/292302007.db2.gz AHHCWZDIESYASF-MRXNPFEDSA-N 1 0 323.481 2.463 10 70 DEIERO CCC[C@H](C(=O)N(CC)Cc1ccc2c(c1)OCO2)[NH+](C)C ZINC000161405368 276037539 /nfs/dbraw/zinc/03/75/39/276037539.db2.gz CUCYPHNDKMQMNQ-CQSZACIVSA-N 1 0 306.406 2.494 10 70 DEIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)Oc1cccnc1 ZINC000160520290 519721999 /nfs/dbraw/zinc/72/19/99/519721999.db2.gz VXXPXUQBJUFFII-HUUCEWRRSA-N 1 0 305.422 2.086 10 70 DEIERO CC(C)[N@H+](CCc1nccs1)CC(=O)NCc1ccco1 ZINC000159790788 539583438 /nfs/dbraw/zinc/58/34/38/539583438.db2.gz YGIZIRCTKGSQAB-UHFFFAOYSA-N 1 0 307.419 2.305 10 70 DEIERO C[C@@H](NC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C)c1cccs1 ZINC000160149378 197388717 /nfs/dbraw/zinc/38/87/17/197388717.db2.gz SKPWHUMYBVSHHZ-RLSLPTNOSA-N 1 0 308.447 2.458 10 70 DEIERO C[NH2+]C[C@@H]1CCc2nc(Cc3csc(C)n3)nc(C)c2C1 ZINC000160131189 197387796 /nfs/dbraw/zinc/38/77/96/197387796.db2.gz HLPRLDZASPYSIY-GFCCVEGCSA-N 1 0 302.447 2.465 10 70 DEIERO C[C@H]1OCC[C@H]1N(C)c1nc2sccn2c1C[NH2+]C1CC1 ZINC000160091451 197385281 /nfs/dbraw/zinc/38/52/81/197385281.db2.gz SNUKWSSCFIAZRA-ZYHUDNBSSA-N 1 0 306.435 2.261 10 70 DEIERO CCS(=O)(=O)CCOc1c(Cl)cccc1C[C@@H](C)[NH3+] ZINC000160082232 197384816 /nfs/dbraw/zinc/38/48/16/197384816.db2.gz IFXIVCXWWANVHG-SNVBAGLBSA-N 1 0 305.827 2.043 10 70 DEIERO COCC[NH2+]C[C@H]1CCc2nc([C@@H]3CCCS3)ncc2C1 ZINC000160084104 197384410 /nfs/dbraw/zinc/38/44/10/197384410.db2.gz UVBHDMAHMYBYAB-WFASDCNBSA-N 1 0 307.463 2.386 10 70 DEIERO CCC[NH2+]C[C@@H]1CCc2nc([C@H]3CSCCO3)ncc2C1 ZINC000159998918 197378856 /nfs/dbraw/zinc/37/88/56/197378856.db2.gz SJSZRARBPBSMOU-IUODEOHRSA-N 1 0 307.463 2.386 10 70 DEIERO CC[NH2+]C[C@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)C1CCCC1 ZINC000159937437 197374677 /nfs/dbraw/zinc/37/46/77/197374677.db2.gz HPUWOEDMJUDSPE-HOCLYGCPSA-N 1 0 316.511 2.464 10 70 DEIERO C[C@@H]1OCC[C@@H]1[N@H+](C)CCCOc1ccccc1C(N)=S ZINC000159488345 197357569 /nfs/dbraw/zinc/35/75/69/197357569.db2.gz IPMBNMAAXKIVBU-JSGCOSHPSA-N 1 0 308.447 2.199 10 70 DEIERO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)C[C@@](C)(O)CC ZINC000160519319 402349287 /nfs/dbraw/zinc/34/92/87/402349287.db2.gz MDKRMXUKIMBPMC-KRWDZBQOSA-N 1 0 321.421 2.066 10 70 DEIERO Cc1ccsc1CNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000160679495 402356740 /nfs/dbraw/zinc/35/67/40/402356740.db2.gz JOFYEUQCIAGWQD-DETPVDSQSA-N 1 0 308.447 2.205 10 70 DEIERO C[C@H](NC(=O)NCC1CC[NH+](C)CC1)[C@@H]1COc2ccccc21 ZINC000160829554 402362050 /nfs/dbraw/zinc/36/20/50/402362050.db2.gz KMKMYVIGZZAWHS-BBRMVZONSA-N 1 0 317.433 2.192 10 70 DEIERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@](C)(O)[C@@H](C)c2ccccc2)C1 ZINC000161091130 402372547 /nfs/dbraw/zinc/37/25/47/402372547.db2.gz FYFNSAXNCOBRNI-WXSAJPJJSA-N 1 0 318.461 2.386 10 70 DEIERO CCOC[C@H](O)C[NH2+][C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000161304232 402381283 /nfs/dbraw/zinc/38/12/83/402381283.db2.gz REBGHZOWONQZND-SUMWQHHRSA-N 1 0 303.406 2.229 10 70 DEIERO Cc1noc(Cl)c1CCC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000161397975 402386288 /nfs/dbraw/zinc/38/62/88/402386288.db2.gz SJXJCIRMZFHSLZ-GXFFZTMASA-N 1 0 313.829 2.414 10 70 DEIERO CC[N@@H+]1CCC[C@H](NC(=O)NCc2cc(C)cc(OC)c2)C1 ZINC000159734466 402329768 /nfs/dbraw/zinc/32/97/68/402329768.db2.gz JMZHFZGHWXOJLX-HNNXBMFYSA-N 1 0 305.422 2.287 10 70 DEIERO CCC[C@@H](C(=O)Nc1n[nH]c(-c2ccccc2OC)n1)[NH+](C)C ZINC000159982173 520602150 /nfs/dbraw/zinc/60/21/50/520602150.db2.gz LZAGHMXFZVNZAA-LBPRGKRZSA-N 1 0 317.393 2.149 10 70 DEIERO C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])C[C@H](c2ccc(F)cc2)O1 ZINC000160506024 539586407 /nfs/dbraw/zinc/58/64/07/539586407.db2.gz FOJXDRSNOSGXKM-BQDHKBFISA-N 1 0 306.381 2.242 10 70 DEIERO [NH3+][C@@H](Cc1ccc(F)cc1Cl)[C@@H]1CCCCS1(=O)=O ZINC000160568185 197423166 /nfs/dbraw/zinc/42/31/66/197423166.db2.gz DKQLEYUSTSRHCJ-STQMWFEESA-N 1 0 305.802 2.316 10 70 DEIERO COc1ccc(Cl)cc1CN1C(=O)CC[C@H]2C[NH2+]CC[C@@H]21 ZINC000160001617 197379493 /nfs/dbraw/zinc/37/94/93/197379493.db2.gz OMLSTTCTIYONEB-FZMZJTMJSA-N 1 0 308.809 2.449 10 70 DEIERO CCC[NH2+]C[C@H]1CCc2nc([C@@H]3CSCCO3)ncc2C1 ZINC000159998795 197379002 /nfs/dbraw/zinc/37/90/02/197379002.db2.gz SJSZRARBPBSMOU-WFASDCNBSA-N 1 0 307.463 2.386 10 70 DEIERO CC(C)N(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159874783 197369861 /nfs/dbraw/zinc/36/98/61/197369861.db2.gz SAESHAMELCAYPX-UONOGXRCSA-N 1 0 315.421 2.173 10 70 DEIERO CCC1(CC)C[C@@H]([NH2+][C@H](C)C(=O)NCC(F)(F)F)CCO1 ZINC000159847394 197368216 /nfs/dbraw/zinc/36/82/16/197368216.db2.gz NTAZIJCPSFCOFA-MNOVXSKESA-N 1 0 310.360 2.381 10 70 DEIERO CC(C)(C)[C@@H]1CCN(S(=O)(=O)Cc2ccccc2C[NH3+])C1 ZINC000159419447 197352568 /nfs/dbraw/zinc/35/25/68/197352568.db2.gz QJYCZBFYRBAFBW-OAHLLOKOSA-N 1 0 310.463 2.343 10 70 DEIERO CC(C)[C@H]1CCN(S(=O)(=O)c2ccc(C[NH3+])c(Cl)c2)C1 ZINC000159425621 197352288 /nfs/dbraw/zinc/35/22/88/197352288.db2.gz KMOHGFPRAFKDSE-LBPRGKRZSA-N 1 0 316.854 2.465 10 70 DEIERO C[C@@H]1C[C@H](C)N(S(=O)(=O)c2cc(C[NH3+])ccc2Cl)C1 ZINC000159513899 197359615 /nfs/dbraw/zinc/35/96/15/197359615.db2.gz SYWCKJZNLJSEFB-ZJUUUORDSA-N 1 0 302.827 2.218 10 70 DEIERO CCC([NH3+])(CC)CNC(=O)c1c[nH]nc1-c1ccc(F)cc1 ZINC000160547680 402350830 /nfs/dbraw/zinc/35/08/30/402350830.db2.gz LRANEWHZMDWIMX-UHFFFAOYSA-N 1 0 304.369 2.463 10 70 DEIERO Cc1ccc(N2CCCN(CCC[NH+]3CCCCC3)CC2)nn1 ZINC000160936130 402366636 /nfs/dbraw/zinc/36/66/36/402366636.db2.gz QRZWFOCLEXWTIY-UHFFFAOYSA-N 1 0 317.481 2.173 10 70 DEIERO Cc1ncc(CN2CCN(CCC[NH+]3CCCCC3)CC2)s1 ZINC000160942351 402366671 /nfs/dbraw/zinc/36/66/71/402366671.db2.gz OOKSHMDKQFPTTF-UHFFFAOYSA-N 1 0 322.522 2.445 10 70 DEIERO O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)NCC1CCCCC1 ZINC000161060018 402370717 /nfs/dbraw/zinc/37/07/17/402370717.db2.gz ZIGQCSOPCXDRCF-SJLPKXTDSA-N 1 0 308.466 2.310 10 70 DEIERO CCC[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[NH+](C)C ZINC000161169018 402376053 /nfs/dbraw/zinc/37/60/53/402376053.db2.gz HZVQAVVYZHMNJG-INIZCTEOSA-N 1 0 307.413 2.205 10 70 DEIERO CC(C)[C@@H](O)CC(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000161380086 402385321 /nfs/dbraw/zinc/38/53/21/402385321.db2.gz FXILGPJBAADFDO-CJNGLKHVSA-N 1 0 301.390 2.457 10 70 DEIERO Cc1ccccc1SCC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160055133 402335794 /nfs/dbraw/zinc/33/57/94/402335794.db2.gz KJVOSGNOPOJOHT-OAHLLOKOSA-N 1 0 322.474 2.050 10 70 DEIERO CCC[C@@H](C(=O)NCc1cccc(Cn2ccnc2)c1)[NH+](C)C ZINC000161496174 402389384 /nfs/dbraw/zinc/38/93/84/402389384.db2.gz QSMGTJAKZGGMNA-KRWDZBQOSA-N 1 0 314.433 2.278 10 70 DEIERO CCCCOc1cccc(C[NH2+]C2CCN(C(N)=O)CC2)c1 ZINC000160816358 520902578 /nfs/dbraw/zinc/90/25/78/520902578.db2.gz ANZPYUBFZJDPTH-UHFFFAOYSA-N 1 0 305.422 2.498 10 70 DEIERO [NH3+]Cc1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000159586742 186128871 /nfs/dbraw/zinc/12/88/71/186128871.db2.gz MTOFGWOTYDHCOO-UHFFFAOYSA-N 1 0 310.806 2.277 10 70 DEIERO CCCn1c(C)nnc1CN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000160126263 197387832 /nfs/dbraw/zinc/38/78/32/197387832.db2.gz QKTRWWPTFDBMPK-CVEARBPZSA-N 1 0 305.470 2.444 10 70 DEIERO CC[C@H]([NH3+])Cc1cccc(Cl)c1OCCS(C)(=O)=O ZINC000160110043 197386688 /nfs/dbraw/zinc/38/66/88/197386688.db2.gz HPOOFLAJUAFSBG-NSHDSACASA-N 1 0 305.827 2.043 10 70 DEIERO CCC[C@H]1CCN(S(=O)(=O)c2cccc(F)c2C[NH3+])C1 ZINC000159437019 197353717 /nfs/dbraw/zinc/35/37/17/197353717.db2.gz DDWHCWHEFNHBNJ-NSHDSACASA-N 1 0 300.399 2.095 10 70 DEIERO CCOc1cc(CNC(=O)c2ccc(C[NH3+])cc2)ccc1OC ZINC000159587408 402326308 /nfs/dbraw/zinc/32/63/08/402326308.db2.gz ZFDCZWSENJGKAK-UHFFFAOYSA-N 1 0 314.385 2.483 10 70 DEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccc(F)c(Cl)c1 ZINC000160334932 402341347 /nfs/dbraw/zinc/34/13/47/402341347.db2.gz QSWYPXXCWDNJBR-LBPRGKRZSA-N 1 0 314.788 2.056 10 70 DEIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C(N)=S)cc1 ZINC000160490929 402348370 /nfs/dbraw/zinc/34/83/70/402348370.db2.gz HAZJEMDTTMQACU-OAHLLOKOSA-N 1 0 319.474 2.171 10 70 DEIERO Cc1ccc(/C=C/CC(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000160507927 402348762 /nfs/dbraw/zinc/34/87/62/402348762.db2.gz ORJVMCIUHFYWFK-QWNKOJSDSA-N 1 0 316.445 2.361 10 70 DEIERO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)Nc1ccc(Cl)nc1 ZINC000160743562 402359014 /nfs/dbraw/zinc/35/90/14/402359014.db2.gz WZLJMKQYGROZGR-NVBFEUDRSA-N 1 0 309.797 2.206 10 70 DEIERO CCC1(CNC(=O)NC[C@H]2CCC[N@@H+]2CCOC)CCCC1 ZINC000161097653 402372580 /nfs/dbraw/zinc/37/25/80/402372580.db2.gz NJURFGWYRVPPEE-OAHLLOKOSA-N 1 0 311.470 2.367 10 70 DEIERO COc1ccccc1CCC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161369892 402385298 /nfs/dbraw/zinc/38/52/98/402385298.db2.gz ROIGAJMQNRCAIK-XYPWUTKMSA-N 1 0 302.418 2.369 10 70 DEIERO CCCCNc1ccccc1C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000160450501 520697518 /nfs/dbraw/zinc/69/75/18/520697518.db2.gz NXXQHSLRZQHTFF-HNNXBMFYSA-N 1 0 319.449 2.301 10 70 DEIERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)[C@H](C)C1 ZINC000160310577 521718495 /nfs/dbraw/zinc/71/84/95/521718495.db2.gz OFRTTWDXFPVXAD-SIXLDLHFSA-N 1 0 323.481 2.316 10 70 DEIERO CCOC(C)(C)CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C)c1 ZINC000159553378 186126875 /nfs/dbraw/zinc/12/68/75/186126875.db2.gz BAZOCQNEMPRAGU-GFCCVEGCSA-N 1 0 314.451 2.060 10 70 DEIERO CCOC(C)(C)CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C)c1 ZINC000159553503 186126998 /nfs/dbraw/zinc/12/69/98/186126998.db2.gz BAZOCQNEMPRAGU-LBPRGKRZSA-N 1 0 314.451 2.060 10 70 DEIERO CC(C)[NH2+]C[C@H]1COCCN1c1cccc(C(F)(F)F)n1 ZINC000160470444 197413026 /nfs/dbraw/zinc/41/30/26/197413026.db2.gz PERZMNXLSRXNSA-NSHDSACASA-N 1 0 303.328 2.304 10 70 DEIERO CC(C)C[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cccc(F)c1 ZINC000160296284 197398335 /nfs/dbraw/zinc/39/83/35/197398335.db2.gz QSAUQENPODBVBK-CQSZACIVSA-N 1 0 314.426 2.224 10 70 DEIERO Cc1ccsc1CN(C)C(=O)[C@]1([NH3+])[C@H]2CCO[C@@H]2C1(C)C ZINC000160240433 197395263 /nfs/dbraw/zinc/39/52/63/197395263.db2.gz NYOLPSSWWGOJMV-DETPVDSQSA-N 1 0 308.447 2.157 10 70 DEIERO CC[NH2+]C[C@@H]1CCc2nc([C@H]3CSCCO3)nc(C)c2C1 ZINC000160180731 197391408 /nfs/dbraw/zinc/39/14/08/197391408.db2.gz FJSRLRDICRNPTP-IUODEOHRSA-N 1 0 307.463 2.304 10 70 DEIERO CC(C)[NH2+]C[C@H]1CCc2nc([C@H]3CSCCO3)ncc2C1 ZINC000160022596 197380555 /nfs/dbraw/zinc/38/05/55/197380555.db2.gz RYXUMFJGEQJGTQ-SWLSCSKDSA-N 1 0 307.463 2.384 10 70 DEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1coc2ccccc12 ZINC000160343695 402341554 /nfs/dbraw/zinc/34/15/54/402341554.db2.gz BXEANEXHTBKOOC-ZDUSSCGKSA-N 1 0 302.374 2.009 10 70 DEIERO CNC(=O)c1ccc(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cc1 ZINC000161027038 402370032 /nfs/dbraw/zinc/37/00/32/402370032.db2.gz GVRPPDRGYPHNAR-SJLPKXTDSA-N 1 0 302.418 2.173 10 70 DEIERO CC[N@@H+]1CCC[C@@H](NC(=O)NCc2cc(C)cc(OC)c2)C1 ZINC000159734588 402329691 /nfs/dbraw/zinc/32/96/91/402329691.db2.gz JMZHFZGHWXOJLX-OAHLLOKOSA-N 1 0 305.422 2.287 10 70 DEIERO COCCC1(CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000161013236 523036869 /nfs/dbraw/zinc/03/68/69/523036869.db2.gz DMQQMPGUMBIZOB-UHFFFAOYSA-N 1 0 323.481 2.321 10 70 DEIERO CC[NH+]1CCN(CCCNC(=O)[C@@H]2C[C@H]2C2CCCCC2)CC1 ZINC000160442655 535696053 /nfs/dbraw/zinc/69/60/53/535696053.db2.gz BRBFELALVRFZEK-ZWKOTPCHSA-N 1 0 321.509 2.347 10 70 DEIERO O=C(CC1CCCC1)NC1CC[NH+](CCn2ccnc2)CC1 ZINC000159814228 539584395 /nfs/dbraw/zinc/58/43/95/539584395.db2.gz JEDAJFSDXXVCCP-UHFFFAOYSA-N 1 0 304.438 2.044 10 70 DEIERO CC[N@@H+]1CCC[C@H]1CNC(=O)N(C)CCc1ncc(C)s1 ZINC000161500195 539591887 /nfs/dbraw/zinc/59/18/87/539591887.db2.gz KORNZSBIGRCPPG-ZDUSSCGKSA-N 1 0 310.467 2.120 10 70 DEIERO CCSc1cccc(N(C)CC2(O)CCOCC2)c1C[NH3+] ZINC000161215665 197475009 /nfs/dbraw/zinc/47/50/09/197475009.db2.gz ZKGIBWDEBLZNIT-UHFFFAOYSA-N 1 0 310.463 2.235 10 70 DEIERO C[C@H]1C[C@H]1CNS(=O)(=O)c1cc(C[NH3+])c(Cl)cc1Cl ZINC000160782674 197438146 /nfs/dbraw/zinc/43/81/46/197438146.db2.gz LHOQZYIJZGMPOT-CBAPKCEASA-N 1 0 323.245 2.386 10 70 DEIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NC1C[C@H](C)O[C@@H](C)C1 ZINC000160215897 197393238 /nfs/dbraw/zinc/39/32/38/197393238.db2.gz FUVGIHMBBODMMP-OFQRWUPVSA-N 1 0 311.470 2.362 10 70 DEIERO c1ccc2c(c1)SC[C@@H]2CN1CCOC[C@@H]1C[NH2+]C1CC1 ZINC000159942073 197375337 /nfs/dbraw/zinc/37/53/37/197375337.db2.gz BSSKDAXCUJKXRV-ZFWWWQNUSA-N 1 0 304.459 2.329 10 70 DEIERO CCC[NH2+]C[C@H]1COCCN1C[C@@H]1Cc2ccccc2S1 ZINC000159938007 197375019 /nfs/dbraw/zinc/37/50/19/197375019.db2.gz KWPOYDBJFKJEPQ-HOTGVXAUSA-N 1 0 306.475 2.404 10 70 DEIERO CCC[C@H](C(=O)N1CCN(c2cccc(OC)c2)CC1)[NH+](C)C ZINC000161217713 291673350 /nfs/dbraw/zinc/67/33/50/291673350.db2.gz NDTPYCUWYAQOFO-QGZVFWFLSA-N 1 0 319.449 2.074 10 70 DEIERO COCCC[C@@H]([NH3+])CN1CCN(c2cccc(Cl)c2)CC1 ZINC000159509113 197358650 /nfs/dbraw/zinc/35/86/50/197358650.db2.gz RDHYALIINOHSAY-OAHLLOKOSA-N 1 0 311.857 2.216 10 70 DEIERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1nc(C(C)C)nc(N(C)C)n1 ZINC000160366314 402342769 /nfs/dbraw/zinc/34/27/69/402342769.db2.gz OJASBECFUBQZFF-ZIAGYGMSSA-N 1 0 318.469 2.124 10 70 DEIERO CCC(CC)CNC(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000160538336 402350166 /nfs/dbraw/zinc/35/01/66/402350166.db2.gz DVFLYIIRRRRKFH-AWEZNQCLSA-N 1 0 311.470 2.317 10 70 DEIERO CCC[C@@H](C(=O)N1CCc2cc(OC)c(OC)cc2C1)[NH+](C)C ZINC000161439084 402387628 /nfs/dbraw/zinc/38/76/28/402387628.db2.gz GVFFYJSDGDKSRI-HNNXBMFYSA-N 1 0 320.433 2.319 10 70 DEIERO CC(=O)NC1CCC([NH2+]CC[C@@H]2c3ccccc3NC2=O)CC1 ZINC000161228815 402378543 /nfs/dbraw/zinc/37/85/43/402378543.db2.gz ATSJQANVVMGQOY-ZBCRRDGASA-N 1 0 315.417 2.149 10 70 DEIERO CCn1cnnc1[C@@H]1CCC[N@H+](C[C@H](O)Cc2ccccc2)C1 ZINC000161281491 402381054 /nfs/dbraw/zinc/38/10/54/402381054.db2.gz YGRLZVJBJHJERW-IAGOWNOFSA-N 1 0 314.433 2.081 10 70 DEIERO COc1ccc([C@@H]2C[C@@H](C)N(C(=O)[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000161313479 402382079 /nfs/dbraw/zinc/38/20/79/402382079.db2.gz PAJINCRQTVOVHO-FVQBIDKESA-N 1 0 302.418 2.399 10 70 DEIERO CCC[C@H](C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)[NH+](C)C ZINC000161315197 402382297 /nfs/dbraw/zinc/38/22/97/402382297.db2.gz LJEIOHWDSYGMTB-ZWNOBZJWSA-N 1 0 305.378 2.075 10 70 DEIERO C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@H](C)CC(N)=O ZINC000161351764 402383829 /nfs/dbraw/zinc/38/38/29/402383829.db2.gz RXVISDABMODMLQ-GHMZBOCLSA-N 1 0 300.349 2.463 10 70 DEIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(C)CC1CCOCC1 ZINC000160216164 402338556 /nfs/dbraw/zinc/33/85/56/402338556.db2.gz YXMOMNSOQWUQPX-MRXNPFEDSA-N 1 0 311.470 2.175 10 70 DEIERO C[C@H](C(=O)N[C@@H](C[NH+](C)C)c1ccccc1)C1CCOCC1 ZINC000160547227 539587222 /nfs/dbraw/zinc/58/72/22/539587222.db2.gz FOHPSOUAOHMCLA-YOEHRIQHSA-N 1 0 304.434 2.468 10 70 DEIERO CCOc1cc(C[N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)ccc1OC ZINC000159582893 186128918 /nfs/dbraw/zinc/12/89/18/186128918.db2.gz DFDMFRLEZGGIQR-GXTWGEPZSA-N 1 0 306.406 2.180 10 70 DEIERO CS(=O)(=O)c1ccc2oc(CC[C@@H]3CCC[NH2+]C3)nc2c1 ZINC000160352124 197402541 /nfs/dbraw/zinc/40/25/41/197402541.db2.gz ISTMXOBASLCPMG-NSHDSACASA-N 1 0 308.403 2.164 10 70 DEIERO CCc1cc(NC(=O)NC2CCC(C[NH+](C)C)CC2)n(C)n1 ZINC000160354111 402341885 /nfs/dbraw/zinc/34/18/85/402341885.db2.gz FBZHIZNXPKMMFI-UHFFFAOYSA-N 1 0 307.442 2.224 10 70 DEIERO C[C@@H](NC(=O)N1CCC(CCC[NH+](C)C)CC1)[C@H]1CCCO1 ZINC000160455536 402346275 /nfs/dbraw/zinc/34/62/75/402346275.db2.gz AKOLQFOHVRHRRQ-GDBMZVCRSA-N 1 0 311.470 2.317 10 70 DEIERO Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161187037 402376432 /nfs/dbraw/zinc/37/64/32/402376432.db2.gz QPDIUGDSUXHZCB-GVZPALNKSA-N 1 0 318.465 2.005 10 70 DEIERO CCn1cnnc1[C@H]1CCC[N@H+](CC(=O)N(C(C)C)C(C)C)C1 ZINC000161320782 402382582 /nfs/dbraw/zinc/38/25/82/402382582.db2.gz OGNGDSXCZRWYMX-HNNXBMFYSA-N 1 0 321.469 2.123 10 70 DEIERO Cc1cc(C)n(C[C@H]2CN(CCC[NH+]3CCCCC3)CCO2)n1 ZINC000161349511 402384074 /nfs/dbraw/zinc/38/40/74/402384074.db2.gz GXFPYICXVNXVSS-GOSISDBHSA-N 1 0 320.481 2.077 10 70 DEIERO COCCOC[C@H]1CC[N@H+](CCN(C)Cc2ccc(F)cc2)C1 ZINC000159855420 402332338 /nfs/dbraw/zinc/33/23/38/402332338.db2.gz LHMSWZNZFIUQCX-KRWDZBQOSA-N 1 0 324.440 2.242 10 70 DEIERO CCOCCC1(CNC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)CC1 ZINC000160222263 197393972 /nfs/dbraw/zinc/39/39/72/197393972.db2.gz PTAXGOYKGGTTKL-GJZGRUSLSA-N 1 0 311.470 2.221 10 70 DEIERO CCCCOCCOC[C@H](O)C[NH2+][C@H](C)CCSCC ZINC000160095202 197385617 /nfs/dbraw/zinc/38/56/17/197385617.db2.gz OKMABQRNGSBYAV-HUUCEWRRSA-N 1 0 307.500 2.302 10 70 DEIERO CCC[C@@H]1CCN(S(=O)(=O)c2cccc3c2CC[NH2+]C3)C1 ZINC000159967125 197377023 /nfs/dbraw/zinc/37/70/23/197377023.db2.gz BBFHFJQEAGKRNH-CYBMUJFWSA-N 1 0 308.447 2.143 10 70 DEIERO C[C@@H]([NH2+]Cc1cc2c(s1)CCC2)C(=O)NCC(F)(F)F ZINC000159784700 197364622 /nfs/dbraw/zinc/36/46/22/197364622.db2.gz UOOIFHWVKISZEG-MRVPVSSYSA-N 1 0 306.353 2.393 10 70 DEIERO COCCC[C@H]([NH3+])CN1CCN(c2ccccc2Cl)CC1 ZINC000159509863 197359606 /nfs/dbraw/zinc/35/96/06/197359606.db2.gz HALSHQWPKHEJRE-AWEZNQCLSA-N 1 0 311.857 2.216 10 70 DEIERO CC(C)(C)[C@@H]1CCN(S(=O)(=O)Cc2cccc(C[NH3+])c2)C1 ZINC000159420865 197352483 /nfs/dbraw/zinc/35/24/83/197352483.db2.gz DDGGNHUZYVEDKZ-OAHLLOKOSA-N 1 0 310.463 2.343 10 70 DEIERO CCC[NH2+][C@H](CSc1nnc2ccccn21)[C@H]1CCOC1 ZINC000159363498 197347368 /nfs/dbraw/zinc/34/73/68/197347368.db2.gz JZVLWBIKIXIJPV-QWHCGFSZSA-N 1 0 306.435 2.226 10 70 DEIERO C[C@@H](NC(=O)N1CCC(CCC[NH+](C)C)CC1)[C@@H]1CCCO1 ZINC000160455288 402346280 /nfs/dbraw/zinc/34/62/80/402346280.db2.gz AKOLQFOHVRHRRQ-ZBFHGGJFSA-N 1 0 311.470 2.317 10 70 DEIERO CCC(CC)CNC(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000160538189 402350058 /nfs/dbraw/zinc/35/00/58/402350058.db2.gz DVFLYIIRRRRKFH-CQSZACIVSA-N 1 0 311.470 2.317 10 70 DEIERO CSc1ccc(C)c(C(=O)NC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000160665674 402356218 /nfs/dbraw/zinc/35/62/18/402356218.db2.gz COCSOXQWNKXUGP-AWEZNQCLSA-N 1 0 322.474 2.294 10 70 DEIERO CC(=O)NC1CCC([NH2+][C@@H](CN(C)C)c2ccccc2)CC1 ZINC000161237106 402378742 /nfs/dbraw/zinc/37/87/42/402378742.db2.gz ZVGCITKPTDMGBN-ABHNRTSZSA-N 1 0 303.450 2.326 10 70 DEIERO CCC[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[NH+](C)C ZINC000161287413 402380767 /nfs/dbraw/zinc/38/07/67/402380767.db2.gz LUMBLWNRVKJSSM-OAHLLOKOSA-N 1 0 303.406 2.482 10 70 DEIERO CCC[C@@H](C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)[NH+](C)C ZINC000161315085 402382090 /nfs/dbraw/zinc/38/20/90/402382090.db2.gz LJEIOHWDSYGMTB-MFKMUULPSA-N 1 0 305.378 2.075 10 70 DEIERO CCC[C@H](C(=O)Nc1cccc(N2CCOC2=O)c1)[NH+](C)C ZINC000161502966 402389855 /nfs/dbraw/zinc/38/98/55/402389855.db2.gz AXTCPMUMOZAMFM-CQSZACIVSA-N 1 0 305.378 2.312 10 70 DEIERO CC[C@H](C(=O)NCc1ccc(N2CCCCC2=O)cc1)[NH+](C)C ZINC000161475978 523785369 /nfs/dbraw/zinc/78/53/69/523785369.db2.gz LXXQKUPGFAEOER-MRXNPFEDSA-N 1 0 317.433 2.160 10 70 DEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)C1(c2ccccc2)CCC1 ZINC000160271694 526572466 /nfs/dbraw/zinc/57/24/66/526572466.db2.gz KXMKLBNVFWZJIX-KRWDZBQOSA-N 1 0 316.445 2.071 10 70 DEIERO CCOC(C)(C)CNS(=O)(=O)c1cccc([C@H]([NH3+])CC)c1 ZINC000159554024 186126862 /nfs/dbraw/zinc/12/68/62/186126862.db2.gz JVHGJDMPOHTZDM-CQSZACIVSA-N 1 0 314.451 2.190 10 70 DEIERO COc1cccc(C[C@@H]([NH3+])c2ccc(S(C)(=O)=O)cc2)c1 ZINC000160644020 197428698 /nfs/dbraw/zinc/42/86/98/197428698.db2.gz USOICMNYUDTCPK-MRXNPFEDSA-N 1 0 305.399 2.341 10 70 DEIERO CO[C@@]1(C[NH2+]C[C@H](O)c2cc(Cl)ccc2Cl)CCOC1 ZINC000160293428 197398480 /nfs/dbraw/zinc/39/84/80/197398480.db2.gz GXHJIKJUYAOSJK-UONOGXRCSA-N 1 0 320.216 2.422 10 70 DEIERO Cc1ccsc1CN(C)C(=O)[C@]1([NH3+])[C@@H]2CCO[C@@H]2C1(C)C ZINC000160240161 197394869 /nfs/dbraw/zinc/39/48/69/197394869.db2.gz NYOLPSSWWGOJMV-PVXIVEMSSA-N 1 0 308.447 2.157 10 70 DEIERO Cc1noc(C)c1[C@H](C)CNC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000160223066 197393939 /nfs/dbraw/zinc/39/39/39/197393939.db2.gz ZBOXALVKWZXHEP-XUJVJEKNSA-N 1 0 322.453 2.423 10 70 DEIERO C[C@@H]1CC(NC(=O)NC2CCC(C[NH+](C)C)CC2)C[C@@H](C)O1 ZINC000160180577 197391611 /nfs/dbraw/zinc/39/16/11/197391611.db2.gz UOFZXVJPNPYZHC-LMRVLLHPSA-N 1 0 311.470 2.362 10 70 DEIERO CCC[NH2+]C[C@H]1COCCN1c1ncnc2sc(C)cc21 ZINC000160434195 197410655 /nfs/dbraw/zinc/41/06/55/197410655.db2.gz OEAWZUJMKKTSSZ-LBPRGKRZSA-N 1 0 306.435 2.205 10 70 DEIERO CCCCOCCOC[C@H](O)C[NH2+][C@@H](C)CCSCC ZINC000160094967 197385110 /nfs/dbraw/zinc/38/51/10/197385110.db2.gz OKMABQRNGSBYAV-LSDHHAIUSA-N 1 0 307.500 2.302 10 70 DEIERO Cc1nccn1CCCC[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000159856664 197368874 /nfs/dbraw/zinc/36/88/74/197368874.db2.gz MEJGHODWLRIYGF-SFHVURJKSA-N 1 0 320.481 2.158 10 70 DEIERO CC[C@H](O)CCNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000160811447 402361190 /nfs/dbraw/zinc/36/11/90/402361190.db2.gz RKOGDKMUHZMXAG-KRWDZBQOSA-N 1 0 319.449 2.243 10 70 DEIERO CNC(=O)c1cccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000161003193 402368673 /nfs/dbraw/zinc/36/86/73/402368673.db2.gz QXSRRRXYELMDFT-AEFFLSMTSA-N 1 0 302.418 2.173 10 70 DEIERO O=C(C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1)NCC1CCCCC1 ZINC000161060151 402370732 /nfs/dbraw/zinc/37/07/32/402370732.db2.gz ZIGQCSOPCXDRCF-AEFFLSMTSA-N 1 0 308.466 2.310 10 70 DEIERO CCn1cnnc1[C@@H]1CCCN(CC(=O)NCCC(C)(C)C)C1 ZINC000161345736 402384226 /nfs/dbraw/zinc/38/42/26/402384226.db2.gz ZLGKCCSOQVENPU-CQSZACIVSA-N 1 0 321.469 2.030 10 70 DEIERO Cn1cnnc1[C@@H]1CCCN1CC[N@H+](C)Cc1ccc(F)cc1 ZINC000161354039 402384510 /nfs/dbraw/zinc/38/45/10/402384510.db2.gz QROLBWPLSNKLPL-INIZCTEOSA-N 1 0 317.412 2.223 10 70 DEIERO CCOCCC1(CNC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)CC1 ZINC000160222139 402338854 /nfs/dbraw/zinc/33/88/54/402338854.db2.gz PTAXGOYKGGTTKL-LSDHHAIUSA-N 1 0 311.470 2.221 10 70 DEIERO CCc1cccc(CC(=O)N2CC[NH+](C3CCOCC3)CC2)c1 ZINC000160252879 402339508 /nfs/dbraw/zinc/33/95/08/402339508.db2.gz CWOHUKMPUQHJFR-UHFFFAOYSA-N 1 0 316.445 2.115 10 70 DEIERO C[C@H](C1CC1)N(C(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)C1CC1 ZINC000160582781 279241358 /nfs/dbraw/zinc/24/13/58/279241358.db2.gz ZEYFPVKPJRHOQZ-IDHHARJASA-N 1 0 320.477 2.403 10 70 DEIERO Cc1ccc(NC(=O)c2csc(CC[NH3+])n2)cc1N(C)C ZINC000161229732 197476131 /nfs/dbraw/zinc/47/61/31/197476131.db2.gz XGFHXFTWIBAHNT-UHFFFAOYSA-N 1 0 304.419 2.271 10 70 DEIERO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1ccc(-n2cncn2)cc1 ZINC000160638512 197427252 /nfs/dbraw/zinc/42/72/52/197427252.db2.gz CFQQDCHBRBDYGK-QRTARXTBSA-N 1 0 300.406 2.469 10 70 DEIERO [NH3+][C@@H]1CCN(C(=O)[C@H]2C[C@H]2c2cccc(Br)c2)C1 ZINC000160304941 197399165 /nfs/dbraw/zinc/39/91/65/197399165.db2.gz IUYNKSJGBQCESO-AGIUHOORSA-N 1 0 309.207 2.112 10 70 DEIERO CCS(=O)(=O)CCC[C@@H](C[NH2+]CCOC)C1CCCC1 ZINC000160031206 197381165 /nfs/dbraw/zinc/38/11/65/197381165.db2.gz VNWXREWZABKYHV-HNNXBMFYSA-N 1 0 305.484 2.244 10 70 DEIERO C[C@@H]1OCC[C@@H]1[N@H+](C)CCCOc1ccc(C(N)=S)cc1 ZINC000159491918 197357812 /nfs/dbraw/zinc/35/78/12/197357812.db2.gz ZBIYVCIHMWFVEI-WFASDCNBSA-N 1 0 308.447 2.199 10 70 DEIERO C[C@H]1OCC[C@@H]1[N@H+](C)CCCOc1ccc(C(N)=S)cc1 ZINC000159491784 197357501 /nfs/dbraw/zinc/35/75/01/197357501.db2.gz ZBIYVCIHMWFVEI-DOMZBBRYSA-N 1 0 308.447 2.199 10 70 DEIERO Cc1ccc(NC(=O)C[C@@H](O)C(C)C)c(OCC[NH+](C)C)c1 ZINC000160585995 402352634 /nfs/dbraw/zinc/35/26/34/402352634.db2.gz VTIPDUNXYMMYOI-OAHLLOKOSA-N 1 0 308.422 2.281 10 70 DEIERO COC(=O)c1cccc(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c1 ZINC000160594982 402353254 /nfs/dbraw/zinc/35/32/54/402353254.db2.gz IAFFRAOWUZWZHF-MRXNPFEDSA-N 1 0 318.417 2.323 10 70 DEIERO CCc1ccc(CCC(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000160701471 402357294 /nfs/dbraw/zinc/35/72/94/402357294.db2.gz NAVINPKOQMUCCS-SFHVURJKSA-N 1 0 318.461 2.145 10 70 DEIERO CC[C@@](C)(O)C[N@@H+]1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000160821623 402362150 /nfs/dbraw/zinc/36/21/50/402362150.db2.gz ZPSMRUWXXHLWKE-XJKSGUPXSA-N 1 0 300.443 2.479 10 70 DEIERO CCn1cnnc1[C@@H]1CCC[N@H+](CC(=O)N(C(C)C)C(C)C)C1 ZINC000161320675 402382556 /nfs/dbraw/zinc/38/25/56/402382556.db2.gz OGNGDSXCZRWYMX-OAHLLOKOSA-N 1 0 321.469 2.123 10 70 DEIERO CCC[C@@H](C(=O)NCCc1cnn(-c2ccccc2)c1)[NH+](C)C ZINC000161372946 402384925 /nfs/dbraw/zinc/38/49/25/402384925.db2.gz WLROCAYMFXSDOJ-KRWDZBQOSA-N 1 0 314.433 2.261 10 70 DEIERO CN(C(=O)c1c(Cl)nc2ccccn21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161491875 402389164 /nfs/dbraw/zinc/38/91/64/402389164.db2.gz YQMPYAKAZDRIAN-FOSCPWQOSA-N 1 0 318.808 2.343 10 70 DEIERO C[C@H](O)C1CC[NH+](CC2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC000159619454 402326987 /nfs/dbraw/zinc/32/69/87/402326987.db2.gz YAAOYBJNYNTONE-AWEZNQCLSA-N 1 0 310.482 2.364 10 70 DEIERO CCC[C@H](C(=O)NCC(=O)Nc1c(C)cccc1C)[NH+](C)C ZINC000161443105 276281811 /nfs/dbraw/zinc/28/18/11/276281811.db2.gz MUXHOXWHHNLKLQ-CQSZACIVSA-N 1 0 305.422 2.088 10 70 DEIERO Cc1ccc(C(=O)CC[N@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)cc1 ZINC000160077665 526044856 /nfs/dbraw/zinc/04/48/56/526044856.db2.gz GZEFVOPJCJMSQF-SJLPKXTDSA-N 1 0 316.445 2.220 10 70 DEIERO Cc1cc(N[C@@H]2CCCC[C@H]2C(N)=O)nc(-c2ccncc2)n1 ZINC000159607762 539582527 /nfs/dbraw/zinc/58/25/27/539582527.db2.gz HCIHUIMFZSQTFP-ZIAGYGMSSA-N 1 0 311.389 2.303 10 70 DEIERO CSCCCC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160764462 197437049 /nfs/dbraw/zinc/43/70/49/197437049.db2.gz FYLRANICZDKYFU-LSDHHAIUSA-N 1 0 314.495 2.014 10 70 DEIERO C[C@@H]1OCC[C@@H]1N(C)c1nc2sccn2c1C[NH2+]C1CC1 ZINC000160091849 197385147 /nfs/dbraw/zinc/38/51/47/197385147.db2.gz SNUKWSSCFIAZRA-JQWIXIFHSA-N 1 0 306.435 2.261 10 70 DEIERO CCOCC[N@@H+]1CCN(Cc2cnc3ccccn23)C[C@@H]1CC ZINC000159953932 197376312 /nfs/dbraw/zinc/37/63/12/197376312.db2.gz USRNFBOXYNUYBN-INIZCTEOSA-N 1 0 316.449 2.267 10 70 DEIERO CC(C)[N@H+](CCc1nccs1)CC(=O)NCC(F)(F)F ZINC000159916218 197373003 /nfs/dbraw/zinc/37/30/03/197373003.db2.gz UKUTXPHMWSHYIN-UHFFFAOYSA-N 1 0 309.357 2.075 10 70 DEIERO C[C@@H]1C[C@@H](C)N(S(=O)(=O)c2cc(C[NH3+])ccc2Cl)C1 ZINC000159514151 197359534 /nfs/dbraw/zinc/35/95/34/197359534.db2.gz SYWCKJZNLJSEFB-NXEZZACHSA-N 1 0 302.827 2.218 10 70 DEIERO CN(C(=O)C[C@H]1OCCc2ccccc21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161454032 402388278 /nfs/dbraw/zinc/38/82/78/402388278.db2.gz OYSVJBRHIQAEDX-IXEWLPCDSA-N 1 0 314.429 2.432 10 70 DEIERO CCOC(=O)[C@@H]1CCCCN1Cc1cnc2nc(C)cc(C)n12 ZINC000161260854 402379303 /nfs/dbraw/zinc/37/93/03/402379303.db2.gz VJABPMHRGRVPQP-HNNXBMFYSA-N 1 0 316.405 2.264 10 70 DEIERO Cc1ccccc1SCC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160055016 402335757 /nfs/dbraw/zinc/33/57/57/402335757.db2.gz KJVOSGNOPOJOHT-HNNXBMFYSA-N 1 0 322.474 2.050 10 70 DEIERO COCCC1(CNC(=O)N2CCC([NH+]3CCCC3)CC2)CC1 ZINC000160987832 523036114 /nfs/dbraw/zinc/03/61/14/523036114.db2.gz CQUOJKLCZHGDQN-UHFFFAOYSA-N 1 0 309.454 2.073 10 70 DEIERO COC(=O)C[C@@H](C)C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000160584862 523258502 /nfs/dbraw/zinc/25/85/02/523258502.db2.gz UREKIQPSKRNWPB-CYBMUJFWSA-N 1 0 304.390 2.420 10 70 DEIERO Cc1cc(C)cc(S(=O)(=O)NCc2ccc(C[NH3+])cc2)c1 ZINC000159583234 186129236 /nfs/dbraw/zinc/12/92/36/186129236.db2.gz IPGBSQXPAMUIQM-UHFFFAOYSA-N 1 0 304.415 2.241 10 70 DEIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCc1cccc(O)c1 ZINC000159594654 186129783 /nfs/dbraw/zinc/12/97/83/186129783.db2.gz ZXEDQKCALPLPOT-OAHLLOKOSA-N 1 0 305.422 2.312 10 70 DEIERO CCc1ncc(NC(=O)NC2CCC(C[NH+](C)C)CC2)cn1 ZINC000161246569 197478231 /nfs/dbraw/zinc/47/82/31/197478231.db2.gz XNXTXTYWOPNRLG-UHFFFAOYSA-N 1 0 305.426 2.281 10 70 DEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cccc(Cl)c1F ZINC000160224046 197393783 /nfs/dbraw/zinc/39/37/83/197393783.db2.gz XGSWXCUIHPYVEN-NSHDSACASA-N 1 0 314.788 2.056 10 70 DEIERO COC(C)(C)C[NH2+]C[C@H](O)COc1ccc(Cl)c(C)c1 ZINC000160225897 197394342 /nfs/dbraw/zinc/39/43/42/197394342.db2.gz GDQHQYARCDOAMA-LBPRGKRZSA-N 1 0 301.814 2.403 10 70 DEIERO CCSCC[C@@H](C)[NH2+][C@H]1CC(=O)N(C(CC)CC)C1=O ZINC000160077512 197384116 /nfs/dbraw/zinc/38/41/16/197384116.db2.gz MFPWWKHKJHZFFV-YPMHNXCESA-N 1 0 300.468 2.424 10 70 DEIERO C[NH2+]C[C@H](C[C@H]1CCCN(S(C)(=O)=O)C1)C1CCCC1 ZINC000159926182 197373378 /nfs/dbraw/zinc/37/33/78/197373378.db2.gz WBZCLBKZBYWGPV-HIFRSBDPSA-N 1 0 302.484 2.074 10 70 DEIERO CCCCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159935338 291660991 /nfs/dbraw/zinc/66/09/91/291660991.db2.gz SKWKJATVCQILGP-KGLIPLIRSA-N 1 0 315.421 2.223 10 70 DEIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc([S@](C)=O)cc1 ZINC000160593061 402353141 /nfs/dbraw/zinc/35/31/41/402353141.db2.gz UTWDLZXZHWKPIZ-IVZQSRNASA-N 1 0 322.474 2.274 10 70 DEIERO CC[C@@](C)(O)C[NH+]1CCC(NC(=O)c2cc(C)oc2C)CC1 ZINC000160867435 402363393 /nfs/dbraw/zinc/36/33/93/402363393.db2.gz WOVOUPOATWHXRD-QGZVFWFLSA-N 1 0 308.422 2.252 10 70 DEIERO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cnn(-c2ccc(F)cc2)c1 ZINC000159696329 402329106 /nfs/dbraw/zinc/32/91/06/402329106.db2.gz BLCNULBGWNEIOL-JSGCOSHPSA-N 1 0 316.380 2.097 10 70 DEIERO CCC[C@@H](C(=O)N(CC)Cc1ccc2c(c1)OCO2)[NH+](C)C ZINC000161405230 276268514 /nfs/dbraw/zinc/26/85/14/276268514.db2.gz CUCYPHNDKMQMNQ-AWEZNQCLSA-N 1 0 306.406 2.494 10 70 DEIERO Cc1ccsc1CNC(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160925629 525848980 /nfs/dbraw/zinc/84/89/80/525848980.db2.gz IPJWGIFEDKCNSV-RHSMWYFYSA-N 1 0 322.474 2.300 10 70 DEIERO C[C@H](O)C(C)(C)[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000161130196 197467497 /nfs/dbraw/zinc/46/74/97/197467497.db2.gz NDUOAZOFPFAHMB-STQMWFEESA-N 1 0 300.443 2.383 10 70 DEIERO C[NH+](C)C1(CNC(=O)C2(C(N)=S)CCCCC2)CCCC1 ZINC000160877761 197446565 /nfs/dbraw/zinc/44/65/65/197446565.db2.gz MWHZUICEYSSVMN-UHFFFAOYSA-N 1 0 311.495 2.214 10 70 DEIERO CC[NH2+]C[C@H]1CCc2nc([C@@H]3CSCCO3)nc(C)c2C1 ZINC000160180578 197391715 /nfs/dbraw/zinc/39/17/15/197391715.db2.gz FJSRLRDICRNPTP-WFASDCNBSA-N 1 0 307.463 2.304 10 70 DEIERO Cc1cc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)ccc1Cl ZINC000160160832 197389814 /nfs/dbraw/zinc/38/98/14/197389814.db2.gz QIAJXQNIVUOJDL-AWEZNQCLSA-N 1 0 310.825 2.225 10 70 DEIERO c1nc2ccccn2c1C[NH+]1CCC(Nc2cccnn2)CC1 ZINC000159893667 197371745 /nfs/dbraw/zinc/37/17/45/197371745.db2.gz FLJKOGJSLNAFSU-UHFFFAOYSA-N 1 0 308.389 2.201 10 70 DEIERO CCC[C@@H]1CCN(S(=O)(=O)c2cccc(F)c2C[NH3+])C1 ZINC000159436878 197353119 /nfs/dbraw/zinc/35/31/19/197353119.db2.gz DDWHCWHEFNHBNJ-LLVKDONJSA-N 1 0 300.399 2.095 10 70 DEIERO CC(C)C[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccccc1F ZINC000160277693 402340115 /nfs/dbraw/zinc/34/01/15/402340115.db2.gz CZOSSFKXDSHBEY-CYBMUJFWSA-N 1 0 314.426 2.224 10 70 DEIERO Cc1ccc(C)c(N(C[C@@H](O)CN2CCOCC2)C(C)C)c1 ZINC000160728253 402358629 /nfs/dbraw/zinc/35/86/29/402358629.db2.gz PFUQJTQXNHVBGD-KRWDZBQOSA-N 1 0 306.450 2.211 10 70 DEIERO CCOCCO[C@H]1CC[N@H+](CCN(C)Cc2ccc(F)cc2)C1 ZINC000160958728 402367131 /nfs/dbraw/zinc/36/71/31/402367131.db2.gz VCTWOABMZGAHSQ-SFHVURJKSA-N 1 0 324.440 2.385 10 70 DEIERO CC(=O)N1CC[C@H](C[N@@H+](C)CCN(C)Cc2ccc(F)cc2)C1 ZINC000161024276 402369779 /nfs/dbraw/zinc/36/97/79/402369779.db2.gz QVHPFBVESJINCU-QGZVFWFLSA-N 1 0 321.440 2.058 10 70 DEIERO CC[C@@H](COC)[NH2+]Cc1ccc(Cn2ccccc2=O)cc1 ZINC000161078120 402372182 /nfs/dbraw/zinc/37/21/82/402372182.db2.gz XZRFEATVKIQMTI-KRWDZBQOSA-N 1 0 300.402 2.411 10 70 DEIERO CC(C)[N@H+]1C[C@H](NC(=O)C(=O)c2ccc3c(c2)CCC3)[C@@H](C)C1 ZINC000161099389 402372899 /nfs/dbraw/zinc/37/28/99/402372899.db2.gz WIJYQGZUIZEYTJ-GUYCJALGSA-N 1 0 314.429 2.203 10 70 DEIERO CCC[C@H](C(=O)NCCc1ccc(OC)c(OC)c1)[NH+](C)C ZINC000161189196 402376420 /nfs/dbraw/zinc/37/64/20/402376420.db2.gz JDXXHAHCEBELGW-CQSZACIVSA-N 1 0 308.422 2.093 10 70 DEIERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@H]2CC(c3ccccc3)=NO2)C1 ZINC000161231313 402378080 /nfs/dbraw/zinc/37/80/80/402378080.db2.gz PAQHVWULMCRWGV-COXVUDFISA-N 1 0 315.417 2.025 10 70 DEIERO CCC[C@H](C(=O)Nc1cc(OC)c(OC)c(OC)c1)[NH+](C)C ZINC000161316854 402382000 /nfs/dbraw/zinc/38/20/00/402382000.db2.gz RSXDFXLGBGREBX-GFCCVEGCSA-N 1 0 310.394 2.381 10 70 DEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000159980823 402335108 /nfs/dbraw/zinc/33/51/08/402335108.db2.gz RWSWJJQIKNJETQ-WCWCZOKXSA-N 1 0 320.477 2.166 10 70 DEIERO O=C(C/C=C/c1cccc(F)c1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160159988 282177432 /nfs/dbraw/zinc/17/74/32/282177432.db2.gz CKOOVHWEKAJQHX-QQOXCAACSA-N 1 0 320.408 2.192 10 70 DEIERO Cc1c(C(F)(F)F)cccc1S(=O)(=O)NCC[C@@H](C)[NH3+] ZINC000160919585 197451255 /nfs/dbraw/zinc/45/12/55/197451255.db2.gz BMGTWECPALLSGJ-MRVPVSSYSA-N 1 0 310.341 2.029 10 70 DEIERO CC[C@@H](O)CCNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000160811577 197441389 /nfs/dbraw/zinc/44/13/89/197441389.db2.gz RKOGDKMUHZMXAG-QGZVFWFLSA-N 1 0 319.449 2.243 10 70 DEIERO CC1(C)C[NH+]=C(NCc2ccc(S(C)(=O)=O)cc2)SC1 ZINC000160231952 197393873 /nfs/dbraw/zinc/39/38/73/197393873.db2.gz SBGQZXGHBOLMTH-UHFFFAOYSA-N 1 0 312.460 2.309 10 70 DEIERO CC[NH+]1CCN(c2ccccc2NC(=O)[C@H]2CCCCO2)CC1 ZINC000160056828 197382805 /nfs/dbraw/zinc/38/28/05/197382805.db2.gz YRNSPTFMTJTWOD-QGZVFWFLSA-N 1 0 317.433 2.336 10 70 DEIERO Cc1ccc(C(=O)CC[N@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)cc1 ZINC000160077533 197384207 /nfs/dbraw/zinc/38/42/07/197384207.db2.gz GZEFVOPJCJMSQF-FUHWJXTLSA-N 1 0 316.445 2.220 10 70 DEIERO CC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C(N)=S)cc2)C1 ZINC000159906986 197372975 /nfs/dbraw/zinc/37/29/75/197372975.db2.gz RYXFKYZZLHOGGT-NWDGAFQWSA-N 1 0 305.447 2.380 10 70 DEIERO Cc1ccc(N2CCC[N@H+](Cc3cnc4ccccn34)CC2)nn1 ZINC000159889337 197371159 /nfs/dbraw/zinc/37/11/59/197371159.db2.gz FIXVXSUQJPYAIR-UHFFFAOYSA-N 1 0 322.416 2.145 10 70 DEIERO CO[C@H]1C[NH2+]C[C@@H]1n1cncc1-c1cccc(Br)c1 ZINC000159508192 197358580 /nfs/dbraw/zinc/35/85/80/197358580.db2.gz ZPHRJFRMZYZMRL-KBPBESRZSA-N 1 0 322.206 2.472 10 70 DEIERO CCc1nc(CNC(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)cs1 ZINC000159401009 197350632 /nfs/dbraw/zinc/35/06/32/197350632.db2.gz OTOCIJUSEZTELL-CYBMUJFWSA-N 1 0 310.467 2.187 10 70 DEIERO OC[C@H](c1cc(F)cc(C(F)(F)F)c1)N1CCC[NH2+]CC1 ZINC000159367168 197349089 /nfs/dbraw/zinc/34/90/89/197349089.db2.gz NDGQDPIAUOCSCN-CYBMUJFWSA-N 1 0 306.303 2.173 10 70 DEIERO CC[NH+]1CCN(CCCNC(=O)[C@H]2C[C@H]2C2CCCCC2)CC1 ZINC000160442793 402345790 /nfs/dbraw/zinc/34/57/90/402345790.db2.gz BRBFELALVRFZEK-ROUUACIJSA-N 1 0 321.509 2.347 10 70 DEIERO Cc1ccc(C)c(N(C[C@H](O)CN2CCOCC2)C(C)C)c1 ZINC000160728094 402358406 /nfs/dbraw/zinc/35/84/06/402358406.db2.gz PFUQJTQXNHVBGD-QGZVFWFLSA-N 1 0 306.450 2.211 10 70 DEIERO C[NH+](C)[C@@H]1CCN(C(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)C1 ZINC000160936375 402366730 /nfs/dbraw/zinc/36/67/30/402366730.db2.gz LRHFIUSCLKTVSK-BBWFWOEESA-N 1 0 317.433 2.252 10 70 DEIERO Cc1noc(Cl)c1CC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000161229590 402378054 /nfs/dbraw/zinc/37/80/54/402378054.db2.gz BWGHWZXQBUOPIR-LLVKDONJSA-N 1 0 301.818 2.271 10 70 DEIERO C[NH+](C)CCN(CC1CCCCC1)C(=O)NCC1(C)COC1 ZINC000159851066 402332367 /nfs/dbraw/zinc/33/23/67/402332367.db2.gz SWZMIASLLYDGLF-UHFFFAOYSA-N 1 0 311.470 2.176 10 70 DEIERO COc1ccc([C@H](C)[NH2+]C2CCN(C)CC2)cc1NC(C)=O ZINC000161502546 402389930 /nfs/dbraw/zinc/38/99/30/402389930.db2.gz JVBKSPXEECSTNP-LBPRGKRZSA-N 1 0 305.422 2.398 10 70 DEIERO Cc1ccsc1CNC(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160925766 525851147 /nfs/dbraw/zinc/85/11/47/525851147.db2.gz IPJWGIFEDKCNSV-PBHICJAKSA-N 1 0 322.474 2.300 10 70 DEIERO C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])C[C@@H](c2ccc(F)cc2)O1 ZINC000160506294 539586721 /nfs/dbraw/zinc/58/67/21/539586721.db2.gz FOJXDRSNOSGXKM-FWYOQMDTSA-N 1 0 306.381 2.242 10 70 DEIERO CCCCCCOC[C@@H](O)C[NH2+]CC1(N(C)C)CCCC1 ZINC000160897032 197447858 /nfs/dbraw/zinc/44/78/58/197447858.db2.gz DEDDYGQYHMGINE-INIZCTEOSA-N 1 0 300.487 2.408 10 70 DEIERO FC(F)(F)c1cccnc1N1CCOC[C@H]1C[NH2+]C1CC1 ZINC000160454221 197412115 /nfs/dbraw/zinc/41/21/15/197412115.db2.gz CDAUQENMSVEXLP-LLVKDONJSA-N 1 0 301.312 2.058 10 70 DEIERO CC(C)C[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cccs1 ZINC000160303970 197399247 /nfs/dbraw/zinc/39/92/47/197399247.db2.gz GWUNVIXARVALAZ-GFCCVEGCSA-N 1 0 302.465 2.147 10 70 DEIERO CCCN(CCC)C(=O)c1cccc(C(=O)NCCC[NH3+])c1 ZINC000160059484 197383078 /nfs/dbraw/zinc/38/30/78/197383078.db2.gz IUMWGROAWKYJHB-UHFFFAOYSA-N 1 0 305.422 2.027 10 70 DEIERO CCCSCc1ncc2c(n1)CC[C@@H](C[NH2+]CCOC)C2 ZINC000160079889 197384123 /nfs/dbraw/zinc/38/41/23/197384123.db2.gz AHWFJJIXEVTEOJ-CYBMUJFWSA-N 1 0 309.479 2.461 10 70 DEIERO O=C1CC[C@H]2C[NH2+]CC[C@H]2N1C[C@@H]1CSc2ccccc21 ZINC000160036189 197381040 /nfs/dbraw/zinc/38/10/40/197381040.db2.gz ICPVWPWCGQHXBE-GZBFAFLISA-N 1 0 302.443 2.476 10 70 DEIERO Cc1c(Cl)cccc1S(=O)(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000159967002 197376529 /nfs/dbraw/zinc/37/65/29/197376529.db2.gz BIYSHQIZNIVVND-LBPRGKRZSA-N 1 0 302.827 2.006 10 70 DEIERO CC(C)[C@H]1CC[N@H+](CC(=O)Nc2cccc(C(N)=S)c2)C1 ZINC000159892871 197371920 /nfs/dbraw/zinc/37/19/20/197371920.db2.gz DRDJHLVSDCOFQE-ZDUSSCGKSA-N 1 0 305.447 2.237 10 70 DEIERO CC[C@H]1CC[N@H+](CCC(=O)Nc2ccc(C(N)=S)cc2)C1 ZINC000159900459 197372034 /nfs/dbraw/zinc/37/20/34/197372034.db2.gz JCPAPCGXHWCUIP-LBPRGKRZSA-N 1 0 305.447 2.381 10 70 DEIERO CC[N@@H+]1CCCN(C(=O)N[C@@H]2CCCC[C@@H]2n2cccn2)CC1 ZINC000159937731 285211865 /nfs/dbraw/zinc/21/18/65/285211865.db2.gz LPQAFSYUQQHDNG-CVEARBPZSA-N 1 0 319.453 2.104 10 70 DEIERO CCCN(CC)c1ccc(C(=O)N2CCN(C3CC3)CC2)cn1 ZINC000161429697 402386960 /nfs/dbraw/zinc/38/69/60/402386960.db2.gz TYAITJPDVICRPW-UHFFFAOYSA-N 1 0 316.449 2.238 10 70 DEIERO O=C(N[C@@H]1CCO[C@H](C2CC2)C1)N1CCC([NH+]2CCCC2)CC1 ZINC000160453903 402346292 /nfs/dbraw/zinc/34/62/92/402346292.db2.gz MVMGYVUXGQZOEL-WBVHZDCISA-N 1 0 321.465 2.214 10 70 DEIERO CC[C@](C)(O)C[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000160841840 402362379 /nfs/dbraw/zinc/36/23/79/402362379.db2.gz VXKXOCZELTXOPF-KRWDZBQOSA-N 1 0 316.405 2.472 10 70 DEIERO C[NH+](C)CC1CCC(NC(=O)CCC(=O)NC2CCCC2)CC1 ZINC000161251445 402379490 /nfs/dbraw/zinc/37/94/90/402379490.db2.gz NHYCTEHSKRAQLT-UHFFFAOYSA-N 1 0 323.481 2.062 10 70 DEIERO CC[C@H](CO)[NH+]1CCN(c2ccnc3c(F)cc(F)cc23)CC1 ZINC000159742182 186139113 /nfs/dbraw/zinc/13/91/13/186139113.db2.gz RERNJULOXSGSBH-CYBMUJFWSA-N 1 0 321.371 2.406 10 70 DEIERO CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)NCCC[NH3+])CC1=O ZINC000160076464 197383753 /nfs/dbraw/zinc/38/37/53/197383753.db2.gz LKYKPZJTQALBOU-ZIAGYGMSSA-N 1 0 317.433 2.018 10 70 DEIERO COc1cccc(Cl)c1CC(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000160142795 197388808 /nfs/dbraw/zinc/38/88/08/197388808.db2.gz HUCDXFZIVNLXHN-GFCCVEGCSA-N 1 0 310.825 2.444 10 70 DEIERO CN(CC1CCOCC1)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000160180708 291663210 /nfs/dbraw/zinc/66/32/10/291663210.db2.gz KVVFANMQBYMCTO-UHFFFAOYSA-N 1 0 311.470 2.175 10 70 DEIERO COCCN1C(=[NH2+])NC[C@H]1c1cc(F)cc(C(F)(F)F)c1 ZINC000159398676 197350299 /nfs/dbraw/zinc/35/02/99/197350299.db2.gz LQOOIPFJFOYYHT-NSHDSACASA-N 1 0 305.275 2.162 10 70 DEIERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1nc(C(C)C)nc(N(C)C)n1 ZINC000160366401 402342936 /nfs/dbraw/zinc/34/29/36/402342936.db2.gz OJASBECFUBQZFF-UONOGXRCSA-N 1 0 318.469 2.124 10 70 DEIERO CC(C)(C(=O)NC[C@H](O)C[NH+]1CCCCC1)c1cccc(F)c1 ZINC000160467363 402347036 /nfs/dbraw/zinc/34/70/36/402347036.db2.gz IYZUBOVMMOJKAR-INIZCTEOSA-N 1 0 322.424 2.066 10 70 DEIERO COc1cccc(Cl)c1CC(=O)N1[C@@H](C)C[NH+](C)C[C@@H]1C ZINC000160808628 402361343 /nfs/dbraw/zinc/36/13/43/402361343.db2.gz YUVKAKPXFXDASP-RYUDHWBXSA-N 1 0 310.825 2.442 10 70 DEIERO COC[C@H]([NH2+]Cc1ccc(Cn2ccccc2=O)cc1)C1CC1 ZINC000161085134 402372337 /nfs/dbraw/zinc/37/23/37/402372337.db2.gz MSAOWUQCKCVZRN-SFHVURJKSA-N 1 0 312.413 2.411 10 70 DEIERO CC(C)c1nccn1CCC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000161147181 402375359 /nfs/dbraw/zinc/37/53/59/402375359.db2.gz IFIREHKPJPTLSW-GJZGRUSLSA-N 1 0 306.454 2.242 10 70 DEIERO CCC[C@@H](C(=O)Nc1cc(OC)c(OC)c(OC)c1)[NH+](C)C ZINC000161316741 402381996 /nfs/dbraw/zinc/38/19/96/402381996.db2.gz RSXDFXLGBGREBX-LBPRGKRZSA-N 1 0 310.394 2.381 10 70 DEIERO CN(CC[N@@H+]1CC[C@@H](c2cnn(C)c2)C1)Cc1ccc(F)cc1 ZINC000159719331 402329195 /nfs/dbraw/zinc/32/91/95/402329195.db2.gz GDRBXZQCRRDKPZ-MRXNPFEDSA-N 1 0 316.424 2.481 10 70 DEIERO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000161409246 402386334 /nfs/dbraw/zinc/38/63/34/402386334.db2.gz YJQGLOJFVLIYOR-IRXDYDNUSA-N 1 0 317.433 2.324 10 70 DEIERO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000160352010 279953909 /nfs/dbraw/zinc/95/39/09/279953909.db2.gz LDYUTNWXIFKXOW-JYJNAYRXSA-N 1 0 316.511 2.462 10 70 DEIERO Cc1[nH+]c2ccccc2c(N2CCS(=O)(=O)[C@H](C)C2)c1C ZINC000160755167 293475476 /nfs/dbraw/zinc/47/54/76/293475476.db2.gz JNBTURXSVKIFJF-LLVKDONJSA-N 1 0 304.415 2.475 10 70 DEIERO CCC[C@H](C(=O)Nc1n[nH]c(-c2ccccc2OC)n1)[NH+](C)C ZINC000159982300 520990537 /nfs/dbraw/zinc/99/05/37/520990537.db2.gz LZAGHMXFZVNZAA-GFCCVEGCSA-N 1 0 317.393 2.149 10 70 DEIERO C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)CC[N@@H+]1C ZINC000160413418 525416432 /nfs/dbraw/zinc/41/64/32/525416432.db2.gz QHOVEKRRWUUVIQ-MIGQKNRLSA-N 1 0 309.454 2.068 10 70 DEIERO CO[C@H]1C[NH2+]C[C@H]1n1cncc1-c1ccccc1Br ZINC000159634784 186131730 /nfs/dbraw/zinc/13/17/30/186131730.db2.gz CYUTUZDWYITEJA-KGLIPLIRSA-N 1 0 322.206 2.472 10 70 DEIERO CC(C)(C[NH2+]Cc1ccccc1)CO[C@H]1CCS(=O)(=O)C1 ZINC000159753042 186139712 /nfs/dbraw/zinc/13/97/12/186139712.db2.gz ABKUVPVLIRJERJ-HNNXBMFYSA-N 1 0 311.447 2.006 10 70 DEIERO CCC(CC)(C[NH3+])C(=O)N(C)Cc1ccc(OC)cc1OC ZINC000161166568 197471480 /nfs/dbraw/zinc/47/14/80/197471480.db2.gz KVQGJDHDFUUYRK-UHFFFAOYSA-N 1 0 308.422 2.427 10 70 DEIERO CC(=O)NC1CCC([NH2+][C@H](C)Cc2c(C)nn(C)c2C)CC1 ZINC000161031332 197458601 /nfs/dbraw/zinc/45/86/01/197458601.db2.gz RXUUUGUUXUHLJI-VHWKEVPUSA-N 1 0 306.454 2.005 10 70 DEIERO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+]2CC(C)C)cc1 ZINC000160272297 197396939 /nfs/dbraw/zinc/39/69/39/197396939.db2.gz HWWCQIHCWSAPIH-OAHLLOKOSA-N 1 0 310.463 2.394 10 70 DEIERO CC[C@@H]([NH3+])Cc1cccc(Cl)c1OCCS(C)(=O)=O ZINC000160110174 197386112 /nfs/dbraw/zinc/38/61/12/197386112.db2.gz HPOOFLAJUAFSBG-LLVKDONJSA-N 1 0 305.827 2.043 10 70 DEIERO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1)C(=O)NC(C)(C)C ZINC000159953825 197376048 /nfs/dbraw/zinc/37/60/48/197376048.db2.gz JVTYROGEVYEQMD-QWHCGFSZSA-N 1 0 315.421 2.221 10 70 DEIERO CCC[C@H](C(=O)N(C)CCOc1ccc(OC)cc1)[NH+](C)C ZINC000161262944 291673959 /nfs/dbraw/zinc/67/39/59/291673959.db2.gz SJGSDRJLIMLSKX-MRXNPFEDSA-N 1 0 308.422 2.263 10 70 DEIERO CC[NH2+]C[C@@H]([C@@H]1C[C@@H]1c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000159378858 197350105 /nfs/dbraw/zinc/35/01/05/197350105.db2.gz CSLBTSLOVPQRMC-QBPKDAKJSA-N 1 0 307.459 2.451 10 70 DEIERO CCS(=O)(=O)CCC[NH2+]CCc1cccc2cccnc21 ZINC000159368903 197349081 /nfs/dbraw/zinc/34/90/81/197349081.db2.gz GMLMWAMZWMNXIL-UHFFFAOYSA-N 1 0 306.431 2.192 10 70 DEIERO C[C@H](NC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C)c1cccs1 ZINC000160707800 402358039 /nfs/dbraw/zinc/35/80/39/402358039.db2.gz SKPWHUMYBVSHHZ-XALPAYFRSA-N 1 0 308.447 2.458 10 70 DEIERO CCNC(=O)CN(CC)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000159715103 402328844 /nfs/dbraw/zinc/32/88/44/402328844.db2.gz DYOIVGYQHKYGFA-AWEZNQCLSA-N 1 0 323.824 2.291 10 70 DEIERO C[NH2+]C[C@@H]1CCCN1C(=O)C1=Cc2cc(Cl)ccc2OC1 ZINC000161367072 277276577 /nfs/dbraw/zinc/27/65/77/277276577.db2.gz JXUMFURTTHMNTP-AWEZNQCLSA-N 1 0 306.793 2.326 10 70 DEIERO Cc1c2ccccc2oc1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160479731 278613982 /nfs/dbraw/zinc/61/39/82/278613982.db2.gz AGAJCMOBSMADNH-AWEZNQCLSA-N 1 0 316.401 2.318 10 70 DEIERO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(OCC(F)F)cc1 ZINC000159548416 186126520 /nfs/dbraw/zinc/12/65/20/186126520.db2.gz SKXFQYSUWAOJRR-WCQYABFASA-N 1 0 312.360 2.416 10 70 DEIERO CCC([NH3+])(CC)CNC(=O)C[C@H]1Sc2ccccc2NC1=O ZINC000160466863 197412602 /nfs/dbraw/zinc/41/26/02/197412602.db2.gz ITFICAPECYNHSV-CYBMUJFWSA-N 1 0 321.446 2.123 10 70 DEIERO CCc1sc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1C ZINC000160219822 197393362 /nfs/dbraw/zinc/39/33/62/197393362.db2.gz OVXJFBZDVOAEJO-ZDUSSCGKSA-N 1 0 310.463 2.196 10 70 DEIERO C[NH2+]C[C@@H](C[C@H]1CCCN(S(C)(=O)=O)C1)C1CCCC1 ZINC000159926046 197374227 /nfs/dbraw/zinc/37/42/27/197374227.db2.gz WBZCLBKZBYWGPV-UKRRQHHQSA-N 1 0 302.484 2.074 10 70 DEIERO CC[C@@H]1CCN(S(=O)(=O)c2ccc(C[NH3+])c(Cl)c2)C1 ZINC000159430950 197353614 /nfs/dbraw/zinc/35/36/14/197353614.db2.gz GHHZRCSEZVSVGX-SNVBAGLBSA-N 1 0 302.827 2.219 10 70 DEIERO CC(C)(C)[C@H]1CCN(S(=O)(=O)Cc2ccccc2C[NH3+])C1 ZINC000159419566 197351967 /nfs/dbraw/zinc/35/19/67/197351967.db2.gz QJYCZBFYRBAFBW-HNNXBMFYSA-N 1 0 310.463 2.343 10 70 DEIERO CCCC(=O)NCC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000161459084 402388221 /nfs/dbraw/zinc/38/82/21/402388221.db2.gz WGRQALYYPOQIEG-UHFFFAOYSA-N 1 0 323.481 2.062 10 70 DEIERO C[C@@H]([NH2+]Cc1ccc(Cn2ccccc2=O)cc1)c1cnn(C)c1 ZINC000161063738 402371361 /nfs/dbraw/zinc/37/13/61/402371361.db2.gz YTAYDYRYVKWOCS-OAHLLOKOSA-N 1 0 322.412 2.481 10 70 DEIERO CCC[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[NH+](C)C ZINC000161287284 402380930 /nfs/dbraw/zinc/38/09/30/402380930.db2.gz LUMBLWNRVKJSSM-HNNXBMFYSA-N 1 0 303.406 2.482 10 70 DEIERO CC(C)[C@@H](O)CC(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000161379899 402385210 /nfs/dbraw/zinc/38/52/10/402385210.db2.gz FXILGPJBAADFDO-BBRMVZONSA-N 1 0 301.390 2.457 10 70 DEIERO CCCc1ccc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000160209201 402338192 /nfs/dbraw/zinc/33/81/92/402338192.db2.gz QSHCJHCSPZKXON-KRWDZBQOSA-N 1 0 304.434 2.216 10 70 DEIERO C[C@@H]([NH2+]CCCN1CCCC1=O)c1ccc2c(c1)OCCO2 ZINC000159530097 278344594 /nfs/dbraw/zinc/34/45/94/278344594.db2.gz KQCAVROGZRJAJT-CYBMUJFWSA-N 1 0 304.390 2.121 10 70 DEIERO Cc1noc(C)c1[C@H](C)CNC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000160222843 197393771 /nfs/dbraw/zinc/39/37/71/197393771.db2.gz ZBOXALVKWZXHEP-TYNCELHUSA-N 1 0 322.453 2.423 10 70 DEIERO CCCCOCCOC[C@@H](O)C[NH2+][C@@H](C)CCSCC ZINC000160095073 197385032 /nfs/dbraw/zinc/38/50/32/197385032.db2.gz OKMABQRNGSBYAV-GJZGRUSLSA-N 1 0 307.500 2.302 10 70 DEIERO CC(C)(C)[C@@H]1CCN(S(=O)(=O)CCC2CC[NH2+]CC2)C1 ZINC000159964556 197377234 /nfs/dbraw/zinc/37/72/34/197377234.db2.gz GYXYQUWJMSPZQN-CQSZACIVSA-N 1 0 302.484 2.074 10 70 DEIERO CC[NH2+]C[C@@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)C1CCCC1 ZINC000159937332 197374895 /nfs/dbraw/zinc/37/48/95/197374895.db2.gz HPUWOEDMJUDSPE-GOEBONIOSA-N 1 0 316.511 2.464 10 70 DEIERO CCC[NH2+]C[C@H]1COCCN1Cc1c(Cl)c(C)nn1CC ZINC000159921097 197373919 /nfs/dbraw/zinc/37/39/19/197373919.db2.gz JYJHMAVEWFKVIO-ZDUSSCGKSA-N 1 0 314.861 2.065 10 70 DEIERO COc1ccc([C@H](C)[NH2+]CCCN2CCCC2=O)c(OC)c1 ZINC000159559532 291656161 /nfs/dbraw/zinc/65/61/61/291656161.db2.gz KNPVRRDUJZAONB-ZDUSSCGKSA-N 1 0 306.406 2.367 10 70 DEIERO Cn1cc([C@H](CNc2nc(C(C)(C)C)ns2)[NH+](C)C)cn1 ZINC000159544013 402325407 /nfs/dbraw/zinc/32/54/07/402325407.db2.gz ADSJFAPXGWUKSJ-NSHDSACASA-N 1 0 308.455 2.284 10 70 DEIERO O=C(N[C@H]1CCO[C@@H](C2CC2)C1)N1CCC([NH+]2CCCC2)CC1 ZINC000160454313 402346626 /nfs/dbraw/zinc/34/66/26/402346626.db2.gz MVMGYVUXGQZOEL-DOTOQJQBSA-N 1 0 321.465 2.214 10 70 DEIERO Cc1ccc(NC(=O)C[C@H](O)C(C)C)c(OCC[NH+](C)C)c1 ZINC000160585863 402352467 /nfs/dbraw/zinc/35/24/67/402352467.db2.gz VTIPDUNXYMMYOI-HNNXBMFYSA-N 1 0 308.422 2.281 10 70 DEIERO C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC[N@@H+]1C ZINC000161000992 402368549 /nfs/dbraw/zinc/36/85/49/402368549.db2.gz MXGXKRHEUPLWHK-LJIZCISZSA-N 1 0 321.465 2.068 10 70 DEIERO CC[C@@](C)(O)C[N@@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000161294642 402381350 /nfs/dbraw/zinc/38/13/50/402381350.db2.gz FBEYEGYVQFTVIA-QGZVFWFLSA-N 1 0 304.390 2.162 10 70 DEIERO CCC[C@@H](C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2)[NH+](C)C ZINC000161314867 402382262 /nfs/dbraw/zinc/38/22/62/402382262.db2.gz LJEIOHWDSYGMTB-GWCFXTLKSA-N 1 0 305.378 2.075 10 70 DEIERO C[C@@H](CC(=O)NC[C@H](O)C[NH+]1CCCCC1)c1ccccc1F ZINC000160212762 402338015 /nfs/dbraw/zinc/33/80/15/402338015.db2.gz SJMGDHMGUWFJHK-GJZGRUSLSA-N 1 0 322.424 2.282 10 70 DEIERO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cccc2c1OC(C)(C)C2 ZINC000159574723 278377474 /nfs/dbraw/zinc/37/74/74/278377474.db2.gz KGXGSPVLUXLBRJ-SWLSCSKDSA-N 1 0 302.418 2.486 10 70 DEIERO C[C@H](C(=O)N[C@H](C[NH+](C)C)c1ccccc1)C1CCOCC1 ZINC000160547459 539587259 /nfs/dbraw/zinc/58/72/59/539587259.db2.gz FOHPSOUAOHMCLA-WMLDXEAASA-N 1 0 304.434 2.468 10 70 DEIERO CC(C)(C[NH2+]Cc1ccccc1)CO[C@@H]1CCS(=O)(=O)C1 ZINC000159752945 186139955 /nfs/dbraw/zinc/13/99/55/186139955.db2.gz ABKUVPVLIRJERJ-OAHLLOKOSA-N 1 0 311.447 2.006 10 70 DEIERO CCSCC[C@H](C)NS(=O)(=O)c1ccc(CC[NH3+])s1 ZINC000160358594 197402974 /nfs/dbraw/zinc/40/29/74/197402974.db2.gz HHTWRSMDSNANDT-JTQLQIEISA-N 1 0 322.521 2.059 10 70 DEIERO O=C(C/C=C/c1ccc(F)cc1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160235568 197395220 /nfs/dbraw/zinc/39/52/20/197395220.db2.gz QJMGGKDELKODSB-LAQIPUCWSA-N 1 0 320.408 2.192 10 70 DEIERO COCC[NH2+]C[C@@H]1CCc2nc([C@@H]3CCCS3)ncc2C1 ZINC000160083984 197384657 /nfs/dbraw/zinc/38/46/57/197384657.db2.gz UVBHDMAHMYBYAB-DOMZBBRYSA-N 1 0 307.463 2.386 10 70 DEIERO CC(C)[C@@H]1CCN(S(=O)(=O)c2ccc(C[NH3+])c(Cl)c2)C1 ZINC000159425494 197352182 /nfs/dbraw/zinc/35/21/82/197352182.db2.gz KMOHGFPRAFKDSE-GFCCVEGCSA-N 1 0 316.854 2.465 10 70 DEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cccc(F)c1Cl ZINC000160346814 402341732 /nfs/dbraw/zinc/34/17/32/402341732.db2.gz LMQXNQCKLVZYGX-NSHDSACASA-N 1 0 314.788 2.056 10 70 DEIERO COc1cccc(Cl)c1CC(=O)N1[C@H](C)C[NH+](C)C[C@H]1C ZINC000160808759 402361514 /nfs/dbraw/zinc/36/15/14/402361514.db2.gz YUVKAKPXFXDASP-VXGBXAGGSA-N 1 0 310.825 2.442 10 70 DEIERO CC(=O)c1c(C)[nH]c(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c1C ZINC000161331384 402383533 /nfs/dbraw/zinc/38/35/33/402383533.db2.gz SWIDRTWJXMWAIL-HZMBPMFUSA-N 1 0 305.422 2.293 10 70 DEIERO COC(=O)Nc1ccccc1C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000161409997 402386102 /nfs/dbraw/zinc/38/61/02/402386102.db2.gz HVAXLVRLIBQWHA-DOMZBBRYSA-N 1 0 319.405 2.323 10 70 DEIERO COc1ccc([C@@H](C)[NH2+]C2CCN(C)CC2)cc1NC(C)=O ZINC000161502658 402390052 /nfs/dbraw/zinc/39/00/52/402390052.db2.gz JVBKSPXEECSTNP-GFCCVEGCSA-N 1 0 305.422 2.398 10 70 DEIERO CC(C)(CC(=O)NC[C@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000159914201 519190859 /nfs/dbraw/zinc/19/08/59/519190859.db2.gz IOKISIBPHXHBAN-KRWDZBQOSA-N 1 0 318.461 2.317 10 70 DEIERO CCC[C@@H](C(=O)N1CCN(c2ccccc2OC)CC1)[NH+](C)C ZINC000161137899 520581867 /nfs/dbraw/zinc/58/18/67/520581867.db2.gz CRGHIYBXYKUOAG-INIZCTEOSA-N 1 0 319.449 2.074 10 70 DEIERO Cc1cc(C)cc(CCC(=O)NC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000160498049 524373462 /nfs/dbraw/zinc/37/34/62/524373462.db2.gz IEXMGKFAAQXWOD-SFHVURJKSA-N 1 0 318.461 2.199 10 70 DEIERO CCCN(CC(=O)Nc1ccccc1OC)Cc1cncnc1 ZINC000160890768 539588695 /nfs/dbraw/zinc/58/86/95/539588695.db2.gz YCFVICXHZKQLOB-UHFFFAOYSA-N 1 0 314.389 2.336 10 70 DEIERO [NH3+][C@@H]1CCCc2c1ccc(=O)n2CCCOCC(F)(F)F ZINC000161062848 197462037 /nfs/dbraw/zinc/46/20/37/197462037.db2.gz SUYIMJQKZWSNNF-LLVKDONJSA-N 1 0 304.312 2.153 10 70 DEIERO CC[NH+](CC)[C@H](C)CNC(=O)Nc1cc(C(=O)OC)cs1 ZINC000161047579 197459821 /nfs/dbraw/zinc/45/98/21/197459821.db2.gz PKGCMCCKGDRNGI-SNVBAGLBSA-N 1 0 313.423 2.387 10 70 DEIERO COCCCN(CCOC)[C@H](C[NH3+])c1cc(Cl)ccc1F ZINC000160974647 197453502 /nfs/dbraw/zinc/45/35/02/197453502.db2.gz BGJOGOKONWXNIP-OAHLLOKOSA-N 1 0 318.820 2.464 10 70 DEIERO CC(C)([NH3+])CNC(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000160093861 197385487 /nfs/dbraw/zinc/38/54/87/197385487.db2.gz UWHRWSLIBXCMPV-VXGBXAGGSA-N 1 0 311.223 2.406 10 70 DEIERO C[C@@H]1OCC[C@H]1N(C)c1nc2sccn2c1C[NH2+]C1CC1 ZINC000160091586 197385160 /nfs/dbraw/zinc/38/51/60/197385160.db2.gz SNUKWSSCFIAZRA-CMPLNLGQSA-N 1 0 306.435 2.261 10 70 DEIERO CC(C)(C)[C@H]1CCN(S(=O)(=O)CCC2CC[NH2+]CC2)C1 ZINC000159964684 197377245 /nfs/dbraw/zinc/37/72/45/197377245.db2.gz GYXYQUWJMSPZQN-AWEZNQCLSA-N 1 0 302.484 2.074 10 70 DEIERO O=C1CC[C@H]2C[NH2+]CC[C@H]2N1C[C@@H]1Cc2ccccc2S1 ZINC000159944239 197375534 /nfs/dbraw/zinc/37/55/34/197375534.db2.gz PXNAAHVYGQBUOT-SOUVJXGZSA-N 1 0 302.443 2.304 10 70 DEIERO CC(C)[N@H+](CCc1nccs1)CC(=O)N(C)CC(F)(F)F ZINC000159938249 197375047 /nfs/dbraw/zinc/37/50/47/197375047.db2.gz PYOAEIJLQXJKHJ-UHFFFAOYSA-N 1 0 323.384 2.417 10 70 DEIERO CC(C)(C)[C@H]1CCN(S(=O)(=O)c2cccc(F)c2C[NH3+])C1 ZINC000159422741 197352432 /nfs/dbraw/zinc/35/24/32/197352432.db2.gz KSMGGFSFRCPLLW-NSHDSACASA-N 1 0 314.426 2.341 10 70 DEIERO CCS(=O)(=O)c1ccc(N2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC000160779172 197437939 /nfs/dbraw/zinc/43/79/39/197437939.db2.gz FREYCAVUHRJEQY-CZUORRHYSA-N 1 0 308.447 2.059 10 70 DEIERO Cn1c(CN2CC[NH+](CC3CC3)CC2)nnc1-c1ccccc1 ZINC000160815688 402361179 /nfs/dbraw/zinc/36/11/79/402361179.db2.gz MZWZWQWCPRZDGZ-UHFFFAOYSA-N 1 0 311.433 2.010 10 70 DEIERO CCn1c(C)nnc1CN1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000160914594 402365487 /nfs/dbraw/zinc/36/54/87/402365487.db2.gz BJJYVMZEHODEAH-OAHLLOKOSA-N 1 0 314.437 2.244 10 70 DEIERO CCC1(CNC(=O)NC[C@@H]2CCC[N@@H+]2CCOC)CCCC1 ZINC000161097530 402372508 /nfs/dbraw/zinc/37/25/08/402372508.db2.gz NJURFGWYRVPPEE-HNNXBMFYSA-N 1 0 311.470 2.367 10 70 DEIERO CCn1cnnc1[C@H]1CCC[N@H+](C[C@H](O)c2ccc(F)cc2)C1 ZINC000161286245 402380776 /nfs/dbraw/zinc/38/07/76/402380776.db2.gz REXNIQCIEHZVOL-HOCLYGCPSA-N 1 0 318.396 2.350 10 70 DEIERO COC1(C(=O)NCc2ccccc2OC2CCC2)CC[NH2+]CC1 ZINC000159711136 402329202 /nfs/dbraw/zinc/32/92/02/402329202.db2.gz BSSHICPRFWHYRW-UHFFFAOYSA-N 1 0 318.417 2.003 10 70 DEIERO C[C@@H]1CN(C(=O)C[C@@H]2CCC[NH2+]2)C[C@@H](c2ccc(F)cc2)O1 ZINC000160513067 278646481 /nfs/dbraw/zinc/64/64/81/278646481.db2.gz BSXNMBHUPGXTFO-KCXAZCMYSA-N 1 0 306.381 2.256 10 70 DEIERO O=C(C/C=C/c1cccc(F)c1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160159855 282177526 /nfs/dbraw/zinc/17/75/26/282177526.db2.gz CKOOVHWEKAJQHX-UABRLCRWSA-N 1 0 320.408 2.192 10 70 DEIERO Cc1cc(-c2nnc(CN3CC[NH+](CC4CC4)CC3)o2)c(C)o1 ZINC000161435918 539591028 /nfs/dbraw/zinc/59/10/28/539591028.db2.gz DARXPZJUHPYXFB-UHFFFAOYSA-N 1 0 316.405 2.474 10 70 DEIERO O=C(NC[C@H](O)c1cc2ccccc2s1)[C@H]1CCCC[NH2+]1 ZINC000160274505 197397219 /nfs/dbraw/zinc/39/72/19/197397219.db2.gz IABKQBWJKPKVGA-OLZOCXBDSA-N 1 0 304.415 2.193 10 70 DEIERO O=C(C/C=C/c1ccc(F)cc1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160235432 197394992 /nfs/dbraw/zinc/39/49/92/197394992.db2.gz QJMGGKDELKODSB-BDUNBXCCSA-N 1 0 320.408 2.192 10 70 DEIERO Cc1[nH]c2ccccc2c1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160051433 197381665 /nfs/dbraw/zinc/38/16/65/197381665.db2.gz GECQOTJBMFTFNX-AWEZNQCLSA-N 1 0 315.417 2.053 10 70 DEIERO O=S1(=O)CC[C@@H]([NH2+]CC2(CO)CCCC2)c2ccccc21 ZINC000160117242 197386846 /nfs/dbraw/zinc/38/68/46/197386846.db2.gz BWMYLWWHXYEGDJ-CQSZACIVSA-N 1 0 309.431 2.047 10 70 DEIERO CCC1(CC)C[C@@H]([NH2+][C@@H](C)C(=O)NCC(F)(F)F)CCO1 ZINC000159847133 197368234 /nfs/dbraw/zinc/36/82/34/197368234.db2.gz NTAZIJCPSFCOFA-QWRGUYRKSA-N 1 0 310.360 2.381 10 70 DEIERO CCC[C@H]1CCN(S(=O)(=O)c2ccc(F)c(C[NH3+])c2)C1 ZINC000159433998 197353268 /nfs/dbraw/zinc/35/32/68/197353268.db2.gz ZMJQSAOPPSSATP-NSHDSACASA-N 1 0 300.399 2.095 10 70 DEIERO CC(C)(C)[C@@H]1CCN(S(=O)(=O)c2cccc(F)c2C[NH3+])C1 ZINC000159422618 197352622 /nfs/dbraw/zinc/35/26/22/197352622.db2.gz KSMGGFSFRCPLLW-LLVKDONJSA-N 1 0 314.426 2.341 10 70 DEIERO Cc1ccc2c(c1)[C@H]([NH2+]CC(=O)NCC(F)(F)F)CCCO2 ZINC000160574299 402352082 /nfs/dbraw/zinc/35/20/82/402352082.db2.gz SFGKJIFELOWXKE-GFCCVEGCSA-N 1 0 316.323 2.477 10 70 DEIERO C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@@H](C)CC(N)=O ZINC000161351373 402383825 /nfs/dbraw/zinc/38/38/25/402383825.db2.gz RXVISDABMODMLQ-QWRGUYRKSA-N 1 0 300.349 2.463 10 70 DEIERO CC(C)[N@H+]1C[C@H](NC(=O)CCn2cnc3ccccc32)[C@@H](C)C1 ZINC000161365362 402384416 /nfs/dbraw/zinc/38/44/16/402384416.db2.gz MTOSQXQRIOBMDU-HOCLYGCPSA-N 1 0 314.433 2.271 10 70 DEIERO Cn1cnnc1[C@H]1CCCN1CC[N@H+](C)Cc1ccc(F)cc1 ZINC000161354175 402384672 /nfs/dbraw/zinc/38/46/72/402384672.db2.gz QROLBWPLSNKLPL-MRXNPFEDSA-N 1 0 317.412 2.223 10 70 DEIERO CNC(=O)CC1CC[NH+](CCN(C)Cc2ccc(F)cc2)CC1 ZINC000159945190 402334274 /nfs/dbraw/zinc/33/42/74/402334274.db2.gz RWPLFEMPYUNFNF-UHFFFAOYSA-N 1 0 321.440 2.106 10 70 DEIERO C[N@H+](CCN(CCO)Cc1cccnc1)Cc1ccc(F)cc1 ZINC000160210580 402338135 /nfs/dbraw/zinc/33/81/35/402338135.db2.gz JCGUEFCTZBISKR-UHFFFAOYSA-N 1 0 317.408 2.147 10 70 DEIERO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(OCC(F)F)cc1 ZINC000159548139 186126333 /nfs/dbraw/zinc/12/63/33/186126333.db2.gz SKXFQYSUWAOJRR-AAEUAGOBSA-N 1 0 312.360 2.416 10 70 DEIERO CCOC(C)(C)CNS(=O)(=O)c1cccc([C@@H]([NH3+])CC)c1 ZINC000159553892 186126926 /nfs/dbraw/zinc/12/69/26/186126926.db2.gz JVHGJDMPOHTZDM-AWEZNQCLSA-N 1 0 314.451 2.190 10 70 DEIERO CCC[C@@H](C(=O)N1CCN(c2ccccc2F)CC1)[NH+](C)C ZINC000161154692 197469572 /nfs/dbraw/zinc/46/95/72/197469572.db2.gz NZGJNEUQIQRWLB-INIZCTEOSA-N 1 0 307.413 2.205 10 70 DEIERO COCCCN(CCOC)[C@H](C[NH3+])c1ccc(Cl)cc1F ZINC000160974381 197453788 /nfs/dbraw/zinc/45/37/88/197453788.db2.gz GISPEIVPZAUUSM-OAHLLOKOSA-N 1 0 318.820 2.464 10 70 DEIERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000160775831 197437893 /nfs/dbraw/zinc/43/78/93/197437893.db2.gz QTHFPNWJDGEGHU-JTQLQIEISA-N 1 0 321.347 2.297 10 70 DEIERO CS(=O)(=O)c1ccc2oc(CCC3CC[NH2+]CC3)nc2c1 ZINC000160357228 197402867 /nfs/dbraw/zinc/40/28/67/197402867.db2.gz KJXSDJGRINKLRH-UHFFFAOYSA-N 1 0 308.403 2.164 10 70 DEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cc2cc(F)ccc2o1 ZINC000160058780 197383079 /nfs/dbraw/zinc/38/30/79/197383079.db2.gz WUBVBYJRGDEASY-AWEZNQCLSA-N 1 0 320.364 2.149 10 70 DEIERO CC(C)[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2C(N)=S)C1 ZINC000159891087 197371710 /nfs/dbraw/zinc/37/17/10/197371710.db2.gz CAZWEUFIPHXSDZ-GFCCVEGCSA-N 1 0 305.447 2.237 10 70 DEIERO C[C@@H]([NH2+][C@@H](C)C(=O)NC(C)(C)C)c1ccc(-n2ccnn2)cc1 ZINC000159953649 197376190 /nfs/dbraw/zinc/37/61/90/197376190.db2.gz JVTYROGEVYEQMD-OLZOCXBDSA-N 1 0 315.421 2.221 10 70 DEIERO CC[NH2+]C[C@@H](C[C@H]1CCCN(S(C)(=O)=O)C1)C1CCCC1 ZINC000159937526 197375220 /nfs/dbraw/zinc/37/52/20/197375220.db2.gz HPUWOEDMJUDSPE-GDBMZVCRSA-N 1 0 316.511 2.464 10 70 DEIERO CCC1(CC)C[C@H]([NH2+][C@H](C)C(=O)NCC(F)(F)F)CCO1 ZINC000159847263 197368231 /nfs/dbraw/zinc/36/82/31/197368231.db2.gz NTAZIJCPSFCOFA-GHMZBOCLSA-N 1 0 310.360 2.381 10 70 DEIERO Cc1[nH]nc(C(C)C)c1C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000159537978 402325391 /nfs/dbraw/zinc/32/53/91/402325391.db2.gz NYTDCARMZYRMCX-CHWSQXEVSA-N 1 0 322.453 2.071 10 70 DEIERO CC[NH+]1CCN(CCCNC(=O)[C@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000160442514 402345961 /nfs/dbraw/zinc/34/59/61/402345961.db2.gz BRBFELALVRFZEK-MSOLQXFVSA-N 1 0 321.509 2.347 10 70 DEIERO O=C(N[C@H]1CCO[C@H](C2CC2)C1)N1CCC([NH+]2CCCC2)CC1 ZINC000160454043 402346331 /nfs/dbraw/zinc/34/63/31/402346331.db2.gz MVMGYVUXGQZOEL-RDJZCZTQSA-N 1 0 321.465 2.214 10 70 DEIERO CC[N@H+](CC(=O)Nc1c(F)cccc1F)C[C@@](C)(O)CC ZINC000160456385 402346523 /nfs/dbraw/zinc/34/65/23/402346523.db2.gz JYOHHJRRGCDFPL-HNNXBMFYSA-N 1 0 300.349 2.386 10 70 DEIERO CCCOc1cccc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000160519438 402349223 /nfs/dbraw/zinc/34/92/23/402349223.db2.gz PSSZJXNJNKKDCA-INIZCTEOSA-N 1 0 320.433 2.052 10 70 DEIERO CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000160775967 402360179 /nfs/dbraw/zinc/36/01/79/402360179.db2.gz QTHFPNWJDGEGHU-SNVBAGLBSA-N 1 0 321.347 2.297 10 70 DEIERO C[N@H+](Cc1cnc2ccccn12)[C@@H]1CCCN(c2cccnn2)C1 ZINC000159890638 402333043 /nfs/dbraw/zinc/33/30/43/402333043.db2.gz WAHZABDEPXXIGI-OAHLLOKOSA-N 1 0 322.416 2.225 10 70 DEIERO CCC[C@@H](C(=O)Nc1cccc(N2CCOC2=O)c1)[NH+](C)C ZINC000161502846 402390102 /nfs/dbraw/zinc/39/01/02/402390102.db2.gz AXTCPMUMOZAMFM-AWEZNQCLSA-N 1 0 305.378 2.312 10 70 DEIERO CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)NCCC[NH3+])CC1=O ZINC000160076722 286814224 /nfs/dbraw/zinc/81/42/24/286814224.db2.gz LKYKPZJTQALBOU-KGLIPLIRSA-N 1 0 317.433 2.018 10 70 DEIERO CCC[C@@H](C(=O)Nc1ccc(C(=O)NC2CC2)cc1)[NH+](C)C ZINC000161412493 520597596 /nfs/dbraw/zinc/59/75/96/520597596.db2.gz SXHSBSLXNMPAOQ-HNNXBMFYSA-N 1 0 303.406 2.248 10 70 DEIERO CCC[C@H](C(=O)N1CCN(c2ccccc2OC)CC1)[NH+](C)C ZINC000161138019 520975651 /nfs/dbraw/zinc/97/56/51/520975651.db2.gz CRGHIYBXYKUOAG-MRXNPFEDSA-N 1 0 319.449 2.074 10 70 DEIERO C[C@@H](C(=O)N[C@H](C[NH+](C)C)c1ccccc1)C1CCOCC1 ZINC000160547597 539587098 /nfs/dbraw/zinc/58/70/98/539587098.db2.gz FOHPSOUAOHMCLA-RHSMWYFYSA-N 1 0 304.434 2.468 10 70 DEIERO CCOc1cc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)ccc1OC ZINC000159583056 186128924 /nfs/dbraw/zinc/12/89/24/186128924.db2.gz DFDMFRLEZGGIQR-JSGCOSHPSA-N 1 0 306.406 2.180 10 70 DEIERO CCC[C@H](C(=O)N1CCN(c2cccc(C)c2)CC1)[NH+](C)C ZINC000161342450 197487662 /nfs/dbraw/zinc/48/76/62/197487662.db2.gz RCHWEZSAAMLTLQ-QGZVFWFLSA-N 1 0 303.450 2.374 10 70 DEIERO FC(F)(F)c1ccnc(N2CCOC[C@@H]2C[NH2+]C2CC2)c1 ZINC000160457172 197412120 /nfs/dbraw/zinc/41/21/20/197412120.db2.gz WUQRYKZMOKSEDG-LBPRGKRZSA-N 1 0 301.312 2.058 10 70 DEIERO COc1cc(NS(=O)(=O)CC[C@H]2CCCC[NH2+]2)ccc1F ZINC000160401478 197407565 /nfs/dbraw/zinc/40/75/65/197407565.db2.gz FBUWZBFDOPMYER-LLVKDONJSA-N 1 0 316.398 2.108 10 70 DEIERO CC(C)[C@H]1CC[N@H+](CC(=O)Nc2ccc(C(N)=S)cc2)C1 ZINC000159891688 197372168 /nfs/dbraw/zinc/37/21/68/197372168.db2.gz KHOUMAUUZWMTAI-ZDUSSCGKSA-N 1 0 305.447 2.237 10 70 DEIERO COc1ccccc1CCN(C)C(=O)[C@@H]1CCn2ccnc2C1 ZINC000161424766 402387075 /nfs/dbraw/zinc/38/70/75/402387075.db2.gz WTNHJYPWZJXBMZ-OAHLLOKOSA-N 1 0 313.401 2.155 10 70 DEIERO CCC[C@@H](C(=O)NC[C@H](O)c1cccc(OC(C)C)c1)[NH+](C)C ZINC000160630150 402354603 /nfs/dbraw/zinc/35/46/03/402354603.db2.gz HYOFDNNPKQWIDG-IRXDYDNUSA-N 1 0 322.449 2.354 10 70 DEIERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@H](c2ccccc2)N(C)C)C1 ZINC000161348621 402384146 /nfs/dbraw/zinc/38/41/46/402384146.db2.gz ICNJZYRMSBLSEI-HYVNUMGLSA-N 1 0 303.450 2.134 10 70 DEIERO CCn1cnnc1[C@H]1CCC[N@H+](Cc2cn3ccccc3n2)C1 ZINC000161416619 402386319 /nfs/dbraw/zinc/38/63/19/402386319.db2.gz AZNUSYWKBQVJHM-AWEZNQCLSA-N 1 0 310.405 2.325 10 70 DEIERO CCC[C@H](C(=O)Nc1ccc(C(=O)NC2CC2)cc1)[NH+](C)C ZINC000161412629 520987887 /nfs/dbraw/zinc/98/78/87/520987887.db2.gz SXHSBSLXNMPAOQ-OAHLLOKOSA-N 1 0 303.406 2.248 10 70 DEIERO CCOC(C)(C)CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C)cc1 ZINC000159553151 186127104 /nfs/dbraw/zinc/12/71/04/186127104.db2.gz ZXQZYIFXJYEFKP-GFCCVEGCSA-N 1 0 314.451 2.060 10 70 DEIERO CC[NH+](CC)[C@@H](C)CNC(=O)NCc1ccnc(OC(C)C)c1 ZINC000159599676 186130457 /nfs/dbraw/zinc/13/04/57/186130457.db2.gz RZIXYGKDTLXRGH-AWEZNQCLSA-N 1 0 322.453 2.398 10 70 DEIERO CC(C)(CO)C[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000160164414 197390939 /nfs/dbraw/zinc/39/09/39/197390939.db2.gz CAKWYJRSKHEGSH-JTQLQIEISA-N 1 0 322.232 2.341 10 70 DEIERO O=S1(=O)CC[C@H]([NH2+]CC2(CO)CCCC2)c2ccccc21 ZINC000160117353 197387315 /nfs/dbraw/zinc/38/73/15/197387315.db2.gz BWMYLWWHXYEGDJ-AWEZNQCLSA-N 1 0 309.431 2.047 10 70 DEIERO CCC[NH2+]C[C@@H]1COCCN1C[C@@H]1Cc2ccccc2S1 ZINC000159937890 197375354 /nfs/dbraw/zinc/37/53/54/197375354.db2.gz KWPOYDBJFKJEPQ-CVEARBPZSA-N 1 0 306.475 2.404 10 70 DEIERO COc1cc([C@H](C[NH3+])N(C)[C@@H](C)CSC)cc2c1OCO2 ZINC000159943270 197374835 /nfs/dbraw/zinc/37/48/35/197374835.db2.gz MOFLCLOYAJLOSZ-JQWIXIFHSA-N 1 0 312.435 2.107 10 70 DEIERO CC[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(C(N)=S)c2)C1 ZINC000159908995 197373071 /nfs/dbraw/zinc/37/30/71/197373071.db2.gz FZXZFNPQXDRGJR-RYUDHWBXSA-N 1 0 305.447 2.380 10 70 DEIERO CC(C)COC[C@@H](O)C[N@H+](CCc1nccs1)C(C)C ZINC000159867936 197370149 /nfs/dbraw/zinc/37/01/49/197370149.db2.gz XYIQISNHQQZBSF-AWEZNQCLSA-N 1 0 300.468 2.430 10 70 DEIERO COCCC[C@H]([NH3+])CN1CCN(c2ccc(Cl)cc2)CC1 ZINC000159510445 197359700 /nfs/dbraw/zinc/35/97/00/197359700.db2.gz DDCWVYMGQSGIMO-HNNXBMFYSA-N 1 0 311.857 2.216 10 70 DEIERO CN(CC1CCOCC1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000159505503 197358753 /nfs/dbraw/zinc/35/87/53/197358753.db2.gz FQGWAZIQFWINRL-MQVJKMGUSA-N 1 0 309.454 2.070 10 70 DEIERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccn(CC(F)(F)F)n2)C1 ZINC000160398439 402344260 /nfs/dbraw/zinc/34/42/60/402344260.db2.gz PBAAPCVUKQTCHV-SNVBAGLBSA-N 1 0 319.331 2.051 10 70 DEIERO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]CC(=O)NCC(F)(F)F ZINC000160581040 402352474 /nfs/dbraw/zinc/35/24/74/402352474.db2.gz NUPCSJXJSSRECM-SECBINFHSA-N 1 0 320.359 2.276 10 70 DEIERO CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)Nc1ccc(Cl)nc1 ZINC000160743791 402359123 /nfs/dbraw/zinc/35/91/23/402359123.db2.gz WZLJMKQYGROZGR-HCKVZZMMSA-N 1 0 309.797 2.206 10 70 DEIERO CSCCCC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160764099 402359784 /nfs/dbraw/zinc/35/97/84/402359784.db2.gz FYLRANICZDKYFU-CABCVRRESA-N 1 0 314.495 2.014 10 70 DEIERO COc1cc(C)c(C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC000161454388 402388273 /nfs/dbraw/zinc/38/82/73/402388273.db2.gz RIJPJFVORORQGD-PBWFPOADSA-N 1 0 318.417 2.367 10 70 DEIERO CCc1ccc(OCC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000161401602 402386196 /nfs/dbraw/zinc/38/61/96/402386196.db2.gz OSUBDQNHOGZWJL-XYPWUTKMSA-N 1 0 302.418 2.369 10 70 DEIERO CN(CC[N@@H+]1CC[C@H](c2cnn(C)c2)C1)Cc1ccc(F)cc1 ZINC000159719417 402328673 /nfs/dbraw/zinc/32/86/73/402328673.db2.gz GDRBXZQCRRDKPZ-INIZCTEOSA-N 1 0 316.424 2.481 10 70 DEIERO Brc1ccc(-c2cncn2C[C@@H]2C[NH2+]CCO2)cc1 ZINC000159596881 186129572 /nfs/dbraw/zinc/12/95/72/186129572.db2.gz ITUXUZPOHDHJIM-ZDUSSCGKSA-N 1 0 322.206 2.301 10 70 DEIERO CCc1ccc(S(=O)(=O)NCc2ccc(C[NH3+])cc2)s1 ZINC000159587163 355961637 /nfs/dbraw/zinc/96/16/37/355961637.db2.gz AFFHTLHETXVUBX-UHFFFAOYSA-N 1 0 310.444 2.248 10 70 DEIERO CC(C)[NH2+]C[C@H](C[C@H]1CCC(C)(C)O1)[C@@H]1CCS(=O)(=O)C1 ZINC000160862313 197444963 /nfs/dbraw/zinc/44/49/63/197444963.db2.gz DPQSKFHDSOYNIK-QLFBSQMISA-N 1 0 317.495 2.383 10 70 DEIERO CSCCCC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160764325 197437694 /nfs/dbraw/zinc/43/76/94/197437694.db2.gz FYLRANICZDKYFU-HUUCEWRRSA-N 1 0 314.495 2.014 10 70 DEIERO CCCC[C@H](C[NH3+])Nc1ccccc1S(=O)(=O)NC(C)C ZINC000160674664 197431406 /nfs/dbraw/zinc/43/14/06/197431406.db2.gz SHPKYXRFGIOLNI-CYBMUJFWSA-N 1 0 313.467 2.303 10 70 DEIERO COc1cc(NS(=O)(=O)c2cccc(C[NH3+])c2)ccc1F ZINC000160235005 197394839 /nfs/dbraw/zinc/39/48/39/197394839.db2.gz MURGDAAGNZKSBF-UHFFFAOYSA-N 1 0 310.350 2.094 10 70 DEIERO CCn1nc(C)c(Cl)c1CN1CCOC[C@H]1C[NH2+]C(C)C ZINC000159963712 197376865 /nfs/dbraw/zinc/37/68/65/197376865.db2.gz MKTQGYTXXASLRY-CYBMUJFWSA-N 1 0 314.861 2.064 10 70 DEIERO CC[C@@H]1CCN(S(=O)(=O)c2ccc(C[NH3+])cc2Cl)C1 ZINC000159432329 197353735 /nfs/dbraw/zinc/35/37/35/197353735.db2.gz UDJZINLRXHAKAR-SNVBAGLBSA-N 1 0 302.827 2.219 10 70 DEIERO Cc1ccc(CNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)s1 ZINC000160439605 402345207 /nfs/dbraw/zinc/34/52/07/402345207.db2.gz HOOREDARYJELFV-HEHGZKQESA-N 1 0 308.447 2.205 10 70 DEIERO CCC([NH3+])(CC)CNC(=O)c1cc(C)n(-c2ccccc2)n1 ZINC000160473130 402346826 /nfs/dbraw/zinc/34/68/26/402346826.db2.gz BHMZBKXKYARGBC-UHFFFAOYSA-N 1 0 300.406 2.428 10 70 DEIERO Cc1cc(Cl)cc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000160611865 402353812 /nfs/dbraw/zinc/35/38/12/402353812.db2.gz XHKLHPFPUCRBLL-HNNXBMFYSA-N 1 0 310.825 2.225 10 70 DEIERO Cc1cc(C[C@@H](C)NC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)[nH]n1 ZINC000160753774 402359609 /nfs/dbraw/zinc/35/96/09/402359609.db2.gz DRXAMIPDEKWSLK-CZUORRHYSA-N 1 0 321.469 2.069 10 70 DEIERO CN(C(=O)CCSCc1ccccn1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161478474 402388475 /nfs/dbraw/zinc/38/84/75/402388475.db2.gz ZFNWENBCRPWVFW-MZBDJJRSSA-N 1 0 319.474 2.446 10 70 DEIERO CC(C)[N@H+]1C[C@H](NC(=O)c2c(Cl)nc3ccccn32)[C@@H](C)C1 ZINC000161283343 402380967 /nfs/dbraw/zinc/38/09/67/402380967.db2.gz JQCFPEKCAXQFHR-RYUDHWBXSA-N 1 0 320.824 2.446 10 70 DEIERO Cc1cc(C)n(C[C@@H]2CN(CCC[NH+]3CCCCC3)CCO2)n1 ZINC000161349400 402383998 /nfs/dbraw/zinc/38/39/98/402383998.db2.gz GXFPYICXVNXVSS-SFHVURJKSA-N 1 0 320.481 2.077 10 70 DEIERO Cc1ccc(S(=O)(=O)NCc2ccc(C[NH3+])cc2)cc1F ZINC000159588903 186129271 /nfs/dbraw/zinc/12/92/71/186129271.db2.gz DCXAKPJVUJMJGY-UHFFFAOYSA-N 1 0 308.378 2.071 10 70 DEIERO CC(C)C[C@@H](C[NH3+])Cc1nc2cc(S(C)(=O)=O)ccc2o1 ZINC000160347351 197403019 /nfs/dbraw/zinc/40/30/19/197403019.db2.gz HLUPUNJCKMCISM-LLVKDONJSA-N 1 0 310.419 2.395 10 70 DEIERO CC(C)C[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(F)cc1 ZINC000160311142 197399701 /nfs/dbraw/zinc/39/97/01/197399701.db2.gz KRZKNOQXBSCNRZ-CQSZACIVSA-N 1 0 314.426 2.224 10 70 DEIERO CCC[C@H](C(=O)NC[C@@H](O)c1ccc(OC(C)C)cc1)[NH+](C)C ZINC000160302485 197399484 /nfs/dbraw/zinc/39/94/84/197399484.db2.gz MFCULXJXJJVOJI-IAGOWNOFSA-N 1 0 322.449 2.354 10 70 DEIERO CCSCc1nc(C)c2c(n1)CC[C@@H](C[NH2+]CCOC)C2 ZINC000160239394 197395183 /nfs/dbraw/zinc/39/51/83/197395183.db2.gz WLZYCNGHDRFBMW-CYBMUJFWSA-N 1 0 309.479 2.379 10 70 DEIERO COc1ccc(Cl)cc1CN1CCOC[C@H]1C[NH2+]C1CC1 ZINC000159954587 197375896 /nfs/dbraw/zinc/37/58/96/197375896.db2.gz HYUILCJIXOIYDJ-OAHLLOKOSA-N 1 0 310.825 2.301 10 70 DEIERO CC[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2C(N)=S)C1 ZINC000159908151 197372526 /nfs/dbraw/zinc/37/25/26/197372526.db2.gz ASQFEEPXNPRTQV-GFCCVEGCSA-N 1 0 305.447 2.381 10 70 DEIERO CSCCCC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160764201 291669980 /nfs/dbraw/zinc/66/99/80/291669980.db2.gz FYLRANICZDKYFU-GJZGRUSLSA-N 1 0 314.495 2.014 10 70 DEIERO COCCOc1ccc([C@H](C)[NH2+]CCCN2CCCC2=O)cc1 ZINC000159498880 197358882 /nfs/dbraw/zinc/35/88/82/197358882.db2.gz AGGLFYIOSMOYMC-HNNXBMFYSA-N 1 0 320.433 2.375 10 70 DEIERO CCCCOC(=O)CC[N@@H+]1CCC[C@H](c2nncn2CC)C1 ZINC000161419685 402386912 /nfs/dbraw/zinc/38/69/12/402386912.db2.gz PREXMCRJPRPIFX-AWEZNQCLSA-N 1 0 308.426 2.211 10 70 DEIERO Cc1ccc2c(c1)[C@@H]([NH2+]CC(=O)NCC(F)(F)F)CCCO2 ZINC000160574439 402351940 /nfs/dbraw/zinc/35/19/40/402351940.db2.gz SFGKJIFELOWXKE-LBPRGKRZSA-N 1 0 316.323 2.477 10 70 DEIERO CCc1ccc(CC(=O)NCCCC[NH+]2CCOCC2)cc1 ZINC000160676758 402356770 /nfs/dbraw/zinc/35/67/70/402356770.db2.gz JSLNFWMWBBCRFS-UHFFFAOYSA-N 1 0 304.434 2.020 10 70 DEIERO CNC(=O)c1cccc(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000161003074 402368640 /nfs/dbraw/zinc/36/86/40/402368640.db2.gz QXSRRRXYELMDFT-SJLPKXTDSA-N 1 0 302.418 2.173 10 70 DEIERO Cc1noc(Cl)c1CC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000161229470 402378515 /nfs/dbraw/zinc/37/85/15/402378515.db2.gz BWGHWZXQBUOPIR-NSHDSACASA-N 1 0 301.818 2.271 10 70 DEIERO C[C@@H](C(=O)N[C@@H](C[NH+](C)C)c1ccccc1)C1CCOCC1 ZINC000160547338 539587136 /nfs/dbraw/zinc/58/71/36/539587136.db2.gz FOHPSOUAOHMCLA-PBHICJAKSA-N 1 0 304.434 2.468 10 70 DEIERO CC(C)CCCOC[C@@H](O)C[NH2+]CC1(N(C)C)CCCC1 ZINC000160893810 197448290 /nfs/dbraw/zinc/44/82/90/197448290.db2.gz HFXZXTJTAAKDOR-INIZCTEOSA-N 1 0 300.487 2.264 10 70 DEIERO Cc1cc2c(ncnc2N2CCOC[C@H]2C[NH2+]C(C)C)s1 ZINC000160471005 197414239 /nfs/dbraw/zinc/41/42/39/197414239.db2.gz CTEBPUDZGHVGIQ-GFCCVEGCSA-N 1 0 306.435 2.203 10 70 DEIERO CC[C@H]1CC[N@H+](CCC(=O)Nc2cccc(C(N)=S)c2)C1 ZINC000159901122 197372042 /nfs/dbraw/zinc/37/20/42/197372042.db2.gz IYHQNWXRJNHIDY-LBPRGKRZSA-N 1 0 305.447 2.381 10 70 DEIERO COCCC[C@@H]([NH3+])CN1CCN(c2ccccc2Cl)CC1 ZINC000159510005 197359627 /nfs/dbraw/zinc/35/96/27/197359627.db2.gz HALSHQWPKHEJRE-CQSZACIVSA-N 1 0 311.857 2.216 10 70 DEIERO [NH3+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)C1 ZINC000160305205 197399449 /nfs/dbraw/zinc/39/94/49/197399449.db2.gz IUYNKSJGBQCESO-FRRDWIJNSA-N 1 0 309.207 2.112 10 70 DEIERO CC(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000160352289 402341901 /nfs/dbraw/zinc/34/19/01/402341901.db2.gz LDYUTNWXIFKXOW-HRCADAONSA-N 1 0 316.511 2.462 10 70 DEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccc2ccccc2c1 ZINC000160462471 402346559 /nfs/dbraw/zinc/34/65/59/402346559.db2.gz LDTPBSAFSUPPAN-SFHVURJKSA-N 1 0 312.413 2.416 10 70 DEIERO CC(C)c1nc(N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)nc(N(C)C)n1 ZINC000160467461 402346905 /nfs/dbraw/zinc/34/69/05/402346905.db2.gz PSWMWQOOYDIJRK-STQMWFEESA-N 1 0 306.458 2.202 10 70 DEIERO CCn1cnnc1C1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000160986425 402368348 /nfs/dbraw/zinc/36/83/48/402368348.db2.gz OOOQHOPHHVAYEX-UHFFFAOYSA-N 1 0 305.470 2.353 10 70 DEIERO CCOC[C@H](O)C[NH2+][C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000161304485 402381347 /nfs/dbraw/zinc/38/13/47/402381347.db2.gz REBGHZOWONQZND-CXAGYDPISA-N 1 0 303.406 2.229 10 70 DEIERO CC(=O)NC1CCC([NH2+][C@H](Cc2ccccc2)CN(C)C)CC1 ZINC000161335230 402383359 /nfs/dbraw/zinc/38/33/59/402383359.db2.gz VLXQWNWGJSIRQI-CTWPCTMYSA-N 1 0 317.477 2.196 10 70 DEIERO C[NH+](C)CCCC1CCN(C(=O)NCc2cscn2)CC1 ZINC000161347525 402384093 /nfs/dbraw/zinc/38/40/93/402384093.db2.gz MPSPMRHJNXZWOF-UHFFFAOYSA-N 1 0 310.467 2.407 10 70 DEIERO C[C@@H]([NH2+]CCCNS(C)(=O)=O)c1ccc(Cl)c(F)c1 ZINC000218227939 337325619 /nfs/dbraw/zinc/32/56/19/337325619.db2.gz FPCJVMGOUYMDAT-SECBINFHSA-N 1 0 308.806 2.069 10 70 DEIERO O=C(NCCc1cc(F)ccc1F)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000159668433 186133912 /nfs/dbraw/zinc/13/39/12/186133912.db2.gz ZDXIRRIZYHGFTE-KRWDZBQOSA-N 1 0 316.351 2.338 10 70 DEIERO CC(C)(O)C[NH+]1CCN(Cc2cnc(Cl)cc2Cl)CC1 ZINC000159743135 186139241 /nfs/dbraw/zinc/13/92/41/186139241.db2.gz XAQLQVAMQVSWQI-UHFFFAOYSA-N 1 0 318.248 2.277 10 70 DEIERO [NH3+][C@H]1CCCc2c1ccc(=O)n2CCCOCC(F)(F)F ZINC000161062954 197462202 /nfs/dbraw/zinc/46/22/02/197462202.db2.gz SUYIMJQKZWSNNF-NSHDSACASA-N 1 0 304.312 2.153 10 70 DEIERO C[NH2+]Cc1cc(Cl)cc(S(=O)(=O)NC[C@@H]2C[C@H]2C)c1C ZINC000160854988 197443823 /nfs/dbraw/zinc/44/38/23/197443823.db2.gz VYLKZKLUXYGGMN-KOLCDFICSA-N 1 0 316.854 2.302 10 70 DEIERO O=C(CCc1ccc(Cl)cc1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160310309 197399155 /nfs/dbraw/zinc/39/91/55/197399155.db2.gz DLMJEBUCEKBTBC-INIZCTEOSA-N 1 0 324.852 2.236 10 70 DEIERO COc1cc(NS(=O)(=O)c2ccc(C[NH3+])cc2)ccc1F ZINC000160234339 197394567 /nfs/dbraw/zinc/39/45/67/197394567.db2.gz CUDHSHFMZKVZTC-UHFFFAOYSA-N 1 0 310.350 2.094 10 70 DEIERO c1nc([C@@H]2CSCCO2)nc2c1C[C@H](C[NH2+]C1CC1)CC2 ZINC000160044587 197381979 /nfs/dbraw/zinc/38/19/79/197381979.db2.gz MKKNTDWOLCXREO-ABAIWWIYSA-N 1 0 305.447 2.138 10 70 DEIERO C[NH2+]C[C@@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)C1CCCC1 ZINC000159925791 197374005 /nfs/dbraw/zinc/37/40/05/197374005.db2.gz WBZCLBKZBYWGPV-DZGCQCFKSA-N 1 0 302.484 2.074 10 70 DEIERO Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cc1 ZINC000160884991 402363994 /nfs/dbraw/zinc/36/39/94/402363994.db2.gz IUNRXFXFYKHBFA-ZHALLVOQSA-N 1 0 319.445 2.362 10 70 DEIERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC1(CCOC)CC1 ZINC000160973343 402367900 /nfs/dbraw/zinc/36/79/00/402367900.db2.gz ZPXRVFQVALEYCW-HUUCEWRRSA-N 1 0 309.454 2.071 10 70 DEIERO CC(=O)NC1CCC([NH2+][C@H](CN(C)C)c2ccccc2)CC1 ZINC000161237223 402378900 /nfs/dbraw/zinc/37/89/00/402378900.db2.gz ZVGCITKPTDMGBN-DAWZGUTISA-N 1 0 303.450 2.326 10 70 DEIERO C[N@@H+](CC(=O)N[C@@H]1CCCc2ccccc21)C[C@@H]1CCC[C@@H]1O ZINC000159595071 539582949 /nfs/dbraw/zinc/58/29/49/539582949.db2.gz HWRROYYVFBXBDJ-JQHSSLGASA-N 1 0 316.445 2.273 10 70 DEIERO CC(C)(C[NH2+]Cc1ccccc1)COCCCS(C)(=O)=O ZINC000159753185 186139670 /nfs/dbraw/zinc/13/96/70/186139670.db2.gz RAWFOQRARCQAJA-UHFFFAOYSA-N 1 0 313.463 2.254 10 70 DEIERO CCc1ccc(C[C@@H]([NH2+]C)[C@H]2CCCCS2(=O)=O)s1 ZINC000161188670 197473442 /nfs/dbraw/zinc/47/34/42/197473442.db2.gz RIGVNSOARWVTBT-ZIAGYGMSSA-N 1 0 301.477 2.408 10 70 DEIERO Cc1ccc(CCC(=O)NC[C@H](O)C[NH+]2CCCCC2)c(C)c1 ZINC000160249763 197395855 /nfs/dbraw/zinc/39/58/55/197395855.db2.gz SLXBVXRHRCUKQN-SFHVURJKSA-N 1 0 318.461 2.199 10 70 DEIERO CCC[C@@H](C(=O)N1CCN(c2ccccc2C)CC1)[NH+](C)C ZINC000160220699 197394262 /nfs/dbraw/zinc/39/42/62/197394262.db2.gz CKDTZJSYKZFATM-KRWDZBQOSA-N 1 0 303.450 2.374 10 70 DEIERO CC[NH+]1CCN(c2ccccc2NC(=O)[C@@H]2CCCCO2)CC1 ZINC000160056692 197382913 /nfs/dbraw/zinc/38/29/13/197382913.db2.gz YRNSPTFMTJTWOD-KRWDZBQOSA-N 1 0 317.433 2.336 10 70 DEIERO CC(C)([NH3+])CNC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000160094147 197385197 /nfs/dbraw/zinc/38/51/97/197385197.db2.gz UWHRWSLIBXCMPV-NWDGAFQWSA-N 1 0 311.223 2.406 10 70 DEIERO CCSCC[C@@H](C)[NH2+]Cc1ccc(S(=O)(=O)N(C)C)o1 ZINC000159943003 197374772 /nfs/dbraw/zinc/37/47/72/197374772.db2.gz HSEZPXQKAWLAKE-LLVKDONJSA-N 1 0 320.480 2.151 10 70 DEIERO CCC[NH2+]C[C@@H]1COCCN1Cc1c(Cl)c(C)nn1CC ZINC000159920970 197373528 /nfs/dbraw/zinc/37/35/28/197373528.db2.gz JYJHMAVEWFKVIO-CYBMUJFWSA-N 1 0 314.861 2.065 10 70 DEIERO C[C@H]([NH2+]Cc1cc2c(s1)CCC2)C(=O)NCC(F)(F)F ZINC000159784559 197364208 /nfs/dbraw/zinc/36/42/08/197364208.db2.gz UOOIFHWVKISZEG-QMMMGPOBSA-N 1 0 306.353 2.393 10 70 DEIERO CC[N@H+](CCc1nccs1)C[C@@H](O)COc1ccccc1 ZINC000159437257 197353580 /nfs/dbraw/zinc/35/35/80/197353580.db2.gz PRVZUSHAEGZYRM-CQSZACIVSA-N 1 0 306.431 2.447 10 70 DEIERO CSCCCCNC(=O)N1CCN(Cc2ccccn2)CC1 ZINC000160302123 402340135 /nfs/dbraw/zinc/34/01/35/402340135.db2.gz ZNSJDZWBQYBRQW-UHFFFAOYSA-N 1 0 322.478 2.052 10 70 DEIERO Cc1cc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)c(C)n1C(C)C ZINC000160400081 402344247 /nfs/dbraw/zinc/34/42/47/402344247.db2.gz CDSROEGVESDBOB-INIZCTEOSA-N 1 0 321.465 2.262 10 70 DEIERO CCC([NH3+])(CC)CNC(=O)C[C@@H]1Sc2ccccc2NC1=O ZINC000160466974 402346628 /nfs/dbraw/zinc/34/66/28/402346628.db2.gz ITFICAPECYNHSV-ZDUSSCGKSA-N 1 0 321.446 2.123 10 70 DEIERO CC[NH+](CC)CCOc1ccccc1NC(=O)NC1(CO)CC1 ZINC000160504268 402348728 /nfs/dbraw/zinc/34/87/28/402348728.db2.gz JYAVITSWHHQCME-UHFFFAOYSA-N 1 0 321.421 2.054 10 70 DEIERO COC(=O)c1csc(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000161067933 402371453 /nfs/dbraw/zinc/37/14/53/402371453.db2.gz ZQAROMUSGXRXDG-LBPRGKRZSA-N 1 0 323.418 2.237 10 70 DEIERO CC[C@@](C)(O)C[N@@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000161103811 402372652 /nfs/dbraw/zinc/37/26/52/402372652.db2.gz ZXXODGLDWWEONX-QGZVFWFLSA-N 1 0 306.406 2.354 10 70 DEIERO C[C@@H](O)C(C)(C)[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000161130528 402373975 /nfs/dbraw/zinc/37/39/75/402373975.db2.gz NDUOAZOFPFAHMB-CHWSQXEVSA-N 1 0 300.443 2.383 10 70 DEIERO CCn1cnnc1[C@H]1CCC[N@H+](CCC(=O)OC(C)(C)C)C1 ZINC000161412885 402386376 /nfs/dbraw/zinc/38/63/76/402386376.db2.gz GNSADVNTXFDYQQ-ZDUSSCGKSA-N 1 0 308.426 2.209 10 70 DEIERO CCN(CC)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159936992 402333512 /nfs/dbraw/zinc/33/35/12/402333512.db2.gz HYKSOUQEXWLNBG-KGLIPLIRSA-N 1 0 315.421 2.175 10 70 DEIERO CC(C)c1ccc(CC2CC[NH+](CC(=O)NC(N)=O)CC2)cc1 ZINC000159949776 275735883 /nfs/dbraw/zinc/73/58/83/275735883.db2.gz KGGVNHSZNRJLFV-UHFFFAOYSA-N 1 0 317.433 2.259 10 70 DEIERO C[NH2+]C[C@H]1CCCN1C(=O)C1=Cc2cc(Cl)ccc2OC1 ZINC000161367205 277283912 /nfs/dbraw/zinc/28/39/12/277283912.db2.gz JXUMFURTTHMNTP-CQSZACIVSA-N 1 0 306.793 2.326 10 70 DEIERO CC(C)[C@@H](C(=O)NC[C@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000160206527 519789287 /nfs/dbraw/zinc/78/92/87/519789287.db2.gz OADVHFWVMPCKQG-ZWKOTPCHSA-N 1 0 318.461 2.389 10 70 DEIERO CC[C@@H](C[NH2+]C1CCN(C(N)=O)CC1)Oc1ccccc1F ZINC000160305780 522546045 /nfs/dbraw/zinc/54/60/45/522546045.db2.gz NDAUFNHZPOEYPI-ZDUSSCGKSA-N 1 0 309.385 2.116 10 70 DEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cc(Cl)ccc1F ZINC000160196053 282177530 /nfs/dbraw/zinc/17/75/30/282177530.db2.gz NDLZLVRKWXEVKI-LBPRGKRZSA-N 1 0 314.788 2.056 10 70 DEIERO CCCn1c(C[NH3+])nnc1SCCC(OCC)OCC ZINC000159554112 186127189 /nfs/dbraw/zinc/12/71/89/186127189.db2.gz QYQMANPANYZTKU-UHFFFAOYSA-N 1 0 302.444 2.028 10 70 DEIERO CCCC[C@@H](C[NH3+])Nc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000160665659 197430365 /nfs/dbraw/zinc/43/03/65/197430365.db2.gz WKURDZIFZHBMBT-AWEZNQCLSA-N 1 0 311.451 2.057 10 70 DEIERO CC(C)[NH2+]C[C@@H]1COCCN1c1ccc(C(F)(F)F)cn1 ZINC000160477872 197413617 /nfs/dbraw/zinc/41/36/17/197413617.db2.gz VWNWTOJKPIIIPD-GFCCVEGCSA-N 1 0 303.328 2.304 10 70 DEIERO [NH3+][C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)C1 ZINC000160305304 197399292 /nfs/dbraw/zinc/39/92/92/197399292.db2.gz IUYNKSJGBQCESO-JHJVBQTASA-N 1 0 309.207 2.112 10 70 DEIERO C[C@H]([NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1)C(=O)NC(C)(C)C ZINC000159953509 197376339 /nfs/dbraw/zinc/37/63/39/197376339.db2.gz JVTYROGEVYEQMD-STQMWFEESA-N 1 0 315.421 2.221 10 70 DEIERO O=C1CC[C@H]2C[NH2+]CC[C@@H]2N1C[C@@H]1Cc2ccccc2S1 ZINC000159944510 197376143 /nfs/dbraw/zinc/37/61/43/197376143.db2.gz PXNAAHVYGQBUOT-KKUMJFAQSA-N 1 0 302.443 2.304 10 70 DEIERO CCSCC[C@H](C)[NH2+][C@H]1CC(=O)N(C(CC)CC)C1=O ZINC000160077221 197383764 /nfs/dbraw/zinc/38/37/64/197383764.db2.gz MFPWWKHKJHZFFV-AAEUAGOBSA-N 1 0 300.468 2.424 10 70 DEIERO O=C(Cc1c[nH]c2cc(F)ccc12)N1CCN(C2CC2)CC1 ZINC000161430311 402386978 /nfs/dbraw/zinc/38/69/78/402386978.db2.gz CWEMKPVTDHIRJZ-UHFFFAOYSA-N 1 0 301.365 2.156 10 70 DEIERO CC(C)CN(C(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)C1CC1 ZINC000160717897 402358029 /nfs/dbraw/zinc/35/80/29/402358029.db2.gz MDGJSSZKPFEURK-CRAIPNDOSA-N 1 0 308.466 2.260 10 70 DEIERO c1cc(-c2nc(CN3CC[N@@H+]4CCCC[C@@H]4C3)no2)cs1 ZINC000160895926 402364554 /nfs/dbraw/zinc/36/45/54/402364554.db2.gz WURBMUMGUGACTA-CYBMUJFWSA-N 1 0 304.419 2.468 10 70 DEIERO CC(=O)NC1CCC([NH2+]CCCc2nc(C(C)C)no2)CC1 ZINC000161458123 402388243 /nfs/dbraw/zinc/38/82/43/402388243.db2.gz BAJDXSRWDJXCFD-UHFFFAOYSA-N 1 0 308.426 2.163 10 70 DEIERO CNC(=O)c1ccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)cc1 ZINC000161027169 402369579 /nfs/dbraw/zinc/36/95/79/402369579.db2.gz GVRPPDRGYPHNAR-AEFFLSMTSA-N 1 0 302.418 2.173 10 70 DEIERO CCn1cnnc1[C@H]1CCCN(CC(=O)NCCC(C)(C)C)C1 ZINC000161345860 402384011 /nfs/dbraw/zinc/38/40/11/402384011.db2.gz ZLGKCCSOQVENPU-AWEZNQCLSA-N 1 0 321.469 2.030 10 70 DEIERO C[C@@]1(O)CCCN(C(=O)NCc2cn3cc(Cl)ccc3n2)C1 ZINC000160122751 402337016 /nfs/dbraw/zinc/33/70/16/402337016.db2.gz JEOOEYAZPAJLRC-OAHLLOKOSA-N 1 0 322.796 2.044 10 70 DEIERO C[N@@H+]1CCO[C@H]2CN(c3ccnc4c(F)cc(F)cc34)C[C@@H]21 ZINC000159975425 277131630 /nfs/dbraw/zinc/13/16/30/277131630.db2.gz UKYQHSYIURGINJ-GJZGRUSLSA-N 1 0 305.328 2.032 10 70 DEIERO CCCCNc1ccccc1C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000160450374 520698750 /nfs/dbraw/zinc/69/87/50/520698750.db2.gz NXXQHSLRZQHTFF-OAHLLOKOSA-N 1 0 319.449 2.301 10 70 DEIERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cnn(-c2ccc(F)cc2)c1 ZINC000159696187 186135869 /nfs/dbraw/zinc/13/58/69/186135869.db2.gz BLCNULBGWNEIOL-OCCSQVGLSA-N 1 0 316.380 2.097 10 70 DEIERO CC[C@@H](CC[NH3+])NS(=O)(=O)c1cccc(C(F)(F)F)c1C ZINC000160886508 197446946 /nfs/dbraw/zinc/44/69/46/197446946.db2.gz DAFPGZSXRKHMSZ-JTQLQIEISA-N 1 0 324.368 2.420 10 70 DEIERO CCCCOCCCNS(=O)(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000160372139 197404356 /nfs/dbraw/zinc/40/43/56/197404356.db2.gz BQVAOAPZQVFELZ-ZDUSSCGKSA-N 1 0 314.451 2.191 10 70 DEIERO CCN(Cc1cccs1)C(=O)[C@]1([NH3+])[C@@H]2CCO[C@@H]2C1(C)C ZINC000160241230 197394523 /nfs/dbraw/zinc/39/45/23/197394523.db2.gz VHZUWFIHDFHNOU-DVOMOZLQSA-N 1 0 308.447 2.239 10 70 DEIERO CC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C(N)=S)C1 ZINC000159902074 197371726 /nfs/dbraw/zinc/37/17/26/197371726.db2.gz YTPJBFHEVZVLRC-NWDGAFQWSA-N 1 0 305.447 2.380 10 70 DEIERO CC(C)N(C)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159875176 197369763 /nfs/dbraw/zinc/36/97/63/197369763.db2.gz SAESHAMELCAYPX-KGLIPLIRSA-N 1 0 315.421 2.173 10 70 DEIERO Brc1ccccc1-c1cncn1C[C@H]1C[NH2+]CCO1 ZINC000159789171 197364510 /nfs/dbraw/zinc/36/45/10/197364510.db2.gz AQIJGBHEKGTCNH-LLVKDONJSA-N 1 0 322.206 2.301 10 70 DEIERO COCCN1C(=[NH2+])NC[C@@H]1c1cc(F)cc(C(F)(F)F)c1 ZINC000159398810 197350612 /nfs/dbraw/zinc/35/06/12/197350612.db2.gz LQOOIPFJFOYYHT-LLVKDONJSA-N 1 0 305.275 2.162 10 70 DEIERO COc1ccccc1CCN(C)C(=O)[C@H]1CCn2ccnc2C1 ZINC000161424907 402387006 /nfs/dbraw/zinc/38/70/06/402387006.db2.gz WTNHJYPWZJXBMZ-HNNXBMFYSA-N 1 0 313.401 2.155 10 70 DEIERO CN(C(=O)CCn1cnc2ccccc21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161428103 402387217 /nfs/dbraw/zinc/38/72/17/402387217.db2.gz QKEYWRPQAHXGJS-YIONKMFJSA-N 1 0 312.417 2.168 10 70 DEIERO CC[C@@H]1CCCN(C(C)(C)C[NH2+]C2CCN(C(N)=O)CC2)C1 ZINC000161013550 402369445 /nfs/dbraw/zinc/36/94/45/402369445.db2.gz XAIVNPVUSKIFQP-CQSZACIVSA-N 1 0 310.486 2.020 10 70 DEIERO C[C@H]([NH2+]Cc1ccc(Cn2ccccc2=O)cc1)c1cnn(C)c1 ZINC000161063604 402371646 /nfs/dbraw/zinc/37/16/46/402371646.db2.gz YTAYDYRYVKWOCS-HNNXBMFYSA-N 1 0 322.412 2.481 10 70 DEIERO CCOC[C@@H](O)C[NH2+][C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000161304596 402381452 /nfs/dbraw/zinc/38/14/52/402381452.db2.gz REBGHZOWONQZND-DYVFJYSZSA-N 1 0 303.406 2.229 10 70 DEIERO CCC[C@H](C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2)[NH+](C)C ZINC000161314979 402381923 /nfs/dbraw/zinc/38/19/23/402381923.db2.gz LJEIOHWDSYGMTB-GXFFZTMASA-N 1 0 305.378 2.075 10 70 DEIERO C/C(=C/C(=O)NC[C@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000160545332 518409690 /nfs/dbraw/zinc/40/96/90/518409690.db2.gz SDNLWENAENUTPF-KSVUCXBSSA-N 1 0 302.418 2.053 10 70 DEIERO Cc1ccc(F)c(S(=O)(=O)NCc2ccc(C[NH3+])cc2)c1 ZINC000159591802 186129499 /nfs/dbraw/zinc/12/94/99/186129499.db2.gz MHQKEGBMNRPFFK-UHFFFAOYSA-N 1 0 308.378 2.071 10 70 DEIERO Cc1cc(Cl)nc(CSc2nnc(C[NH3+])n2C(C)C)n1 ZINC000159734610 186137905 /nfs/dbraw/zinc/13/79/05/186137905.db2.gz GAPIBFNQCFKEJK-UHFFFAOYSA-N 1 0 312.830 2.362 10 70 DEIERO CCC[C@H](C(=O)N1CCN(c2ccccc2C)CC1)[NH+](C)C ZINC000160220792 197393541 /nfs/dbraw/zinc/39/35/41/197393541.db2.gz CKDTZJSYKZFATM-QGZVFWFLSA-N 1 0 303.450 2.374 10 70 DEIERO C[NH2+]C[C@H]1CCc2nc(Cc3nc(C)cs3)nc(C)c2C1 ZINC000160136255 197387948 /nfs/dbraw/zinc/38/79/48/197387948.db2.gz NTOBXAPKRHTBFP-LBPRGKRZSA-N 1 0 302.447 2.465 10 70 DEIERO COCC[NH2+]C[C@@H]1CCc2nc(CSC(C)C)ncc2C1 ZINC000160078281 197384153 /nfs/dbraw/zinc/38/41/53/197384153.db2.gz SDNHEUNQMHXURT-CYBMUJFWSA-N 1 0 309.479 2.459 10 70 DEIERO COCCC[C@@H]([NH3+])C(=O)Nc1c2nsnc2ccc1Cl ZINC000159489986 197357659 /nfs/dbraw/zinc/35/76/59/197357659.db2.gz BMCSYWKTZVRAQD-MRVPVSSYSA-N 1 0 314.798 2.037 10 70 DEIERO CC(C)(C)[C@@H]1CCN(S(=O)(=O)Cc2ccc(C[NH3+])cc2)C1 ZINC000159420280 197352403 /nfs/dbraw/zinc/35/24/03/197352403.db2.gz KCNWGNAGQSAHBE-OAHLLOKOSA-N 1 0 310.463 2.343 10 70 DEIERO CC(C)N(CC[NH+](C)C)C(=O)NCCc1cc(F)ccc1F ZINC000159387046 402322977 /nfs/dbraw/zinc/32/29/77/402322977.db2.gz RRHAHKBOWJBOID-UHFFFAOYSA-N 1 0 313.392 2.489 10 70 DEIERO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cccc2ccccc21 ZINC000160362518 402342893 /nfs/dbraw/zinc/34/28/93/402342893.db2.gz VJPSNSNIDULUHH-MRXNPFEDSA-N 1 0 312.413 2.416 10 70 DEIERO CCOC(=O)CCN1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000160664438 402356144 /nfs/dbraw/zinc/35/61/44/402356144.db2.gz OKCJVFIUYZMKHB-CYBMUJFWSA-N 1 0 306.410 2.095 10 70 DEIERO CC[C@](C)(O)C[N@@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000161103683 402372869 /nfs/dbraw/zinc/37/28/69/402372869.db2.gz ZXXODGLDWWEONX-KRWDZBQOSA-N 1 0 306.406 2.354 10 70 DEIERO O=C([C@@H]1C[C@@H]1c1ccc(Br)cc1)N1CCC[NH2+]CC1 ZINC000160859870 304384014 /nfs/dbraw/zinc/38/40/14/304384014.db2.gz KNZQCBXTTMEDLG-ZIAGYGMSSA-N 1 0 323.234 2.375 10 70 DEIERO O[C@H](c1ccc(F)cc1)C1CC[NH+](CC2(O)CCOCC2)CC1 ZINC000160107248 526299700 /nfs/dbraw/zinc/29/97/00/526299700.db2.gz ROAWWSQJAILTQQ-QGZVFWFLSA-N 1 0 323.408 2.113 10 70 DEIERO CCC[C@@H](C(=O)NC[C@H](O)c1ccc(OC(C)C)cc1)[NH+](C)C ZINC000160302104 197398792 /nfs/dbraw/zinc/39/87/92/197398792.db2.gz MFCULXJXJJVOJI-IRXDYDNUSA-N 1 0 322.449 2.354 10 70 DEIERO CC[NH2+]C[C@H]1CCc2nc([C@H]3CSCCO3)nc(C)c2C1 ZINC000160180862 197391615 /nfs/dbraw/zinc/39/16/15/197391615.db2.gz FJSRLRDICRNPTP-SWLSCSKDSA-N 1 0 307.463 2.304 10 70 DEIERO COCC[NH2+]C[C@H]1CCc2nc([C@H]3CCCS3)ncc2C1 ZINC000160084318 197384469 /nfs/dbraw/zinc/38/44/69/197384469.db2.gz UVBHDMAHMYBYAB-SWLSCSKDSA-N 1 0 307.463 2.386 10 70 DEIERO CC(C)[NH2+]C[C@@H]1CCc2nc([C@H]3CSCCO3)ncc2C1 ZINC000160022462 197380207 /nfs/dbraw/zinc/38/02/07/197380207.db2.gz RYXUMFJGEQJGTQ-IUODEOHRSA-N 1 0 307.463 2.384 10 70 DEIERO COc1ccc(Cl)cc1CN1C(=O)CC[C@H]2C[NH2+]CC[C@H]21 ZINC000160001486 197379381 /nfs/dbraw/zinc/37/93/81/197379381.db2.gz OMLSTTCTIYONEB-SMDDNHRTSA-N 1 0 308.809 2.449 10 70 DEIERO C[NH2+]C[C@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)C1CCCC1 ZINC000159925928 197373342 /nfs/dbraw/zinc/37/33/42/197373342.db2.gz WBZCLBKZBYWGPV-ZFWWWQNUSA-N 1 0 302.484 2.074 10 70 DEIERO COc1ccc([C@@H](C)[NH2+]CCCN2CCCC2=O)c(OC)c1 ZINC000159559684 291656201 /nfs/dbraw/zinc/65/62/01/291656201.db2.gz KNPVRRDUJZAONB-CYBMUJFWSA-N 1 0 306.406 2.367 10 70 DEIERO CC(C)[C@H]1CCN(S(=O)(=O)c2ccc(C[NH3+])cc2Cl)C1 ZINC000159427500 197352902 /nfs/dbraw/zinc/35/29/02/197352902.db2.gz KXPIKEGUCMIFJH-LBPRGKRZSA-N 1 0 316.854 2.465 10 70 DEIERO CCC[NH2+][C@H](CSc1nnc2ccccn21)[C@@H]1CCOC1 ZINC000159363239 197347624 /nfs/dbraw/zinc/34/76/24/197347624.db2.gz JZVLWBIKIXIJPV-CHWSQXEVSA-N 1 0 306.435 2.226 10 70 DEIERO CC[N@@H+]1CCC[C@H](NC(=O)NCc2ccnc(OC(C)C)c2)C1 ZINC000159735698 402329347 /nfs/dbraw/zinc/32/93/47/402329347.db2.gz UZJGFOGPJRDPKN-HNNXBMFYSA-N 1 0 320.437 2.152 10 70 DEIERO CCn1cnnc1[C@@H]1CCC[N@H+](CCC(=O)OC(C)(C)C)C1 ZINC000161412759 402386452 /nfs/dbraw/zinc/38/64/52/402386452.db2.gz GNSADVNTXFDYQQ-CYBMUJFWSA-N 1 0 308.426 2.209 10 70 DEIERO C[NH+]1CCC(Oc2ccc(NCC3=CCCOC3)cn2)CC1 ZINC000160173036 402337520 /nfs/dbraw/zinc/33/75/20/402337520.db2.gz VSJQWLYFLNDNFC-UHFFFAOYSA-N 1 0 303.406 2.313 10 70 DEIERO COC[C@@H]([NH2+]Cc1ccc(Cn2ccccc2=O)cc1)C1CC1 ZINC000161085253 522359582 /nfs/dbraw/zinc/35/95/82/522359582.db2.gz MSAOWUQCKCVZRN-GOSISDBHSA-N 1 0 312.413 2.411 10 70 DEIERO CC(C)[C@@H](O)CC(=O)Nc1cccc(OCCC[NH+](C)C)c1 ZINC000159725698 186137881 /nfs/dbraw/zinc/13/78/81/186137881.db2.gz CGDURFNUSBMHAJ-INIZCTEOSA-N 1 0 308.422 2.363 10 70 DEIERO CCC(CC)(C[NH3+])C(=O)NCCc1csc(N2CCCC2)n1 ZINC000161296070 197482604 /nfs/dbraw/zinc/48/26/04/197482604.db2.gz PBRRUKXWCWRRIH-UHFFFAOYSA-N 1 0 324.494 2.167 10 70 DEIERO c1ccc2c(c1)C[C@@H](CN1CCOC[C@@H]1C[NH2+]C1CC1)S2 ZINC000159959440 197377254 /nfs/dbraw/zinc/37/72/54/197377254.db2.gz AZMJOFMIAUAXEJ-HOTGVXAUSA-N 1 0 304.459 2.156 10 70 DEIERO CC(C)(C)c1csc(CN2CCOC[C@H]2C[NH2+]C2CC2)n1 ZINC000159948891 197375559 /nfs/dbraw/zinc/37/55/59/197375559.db2.gz IQOCFSSZGLQUCO-CYBMUJFWSA-N 1 0 309.479 2.393 10 70 DEIERO C[N@H+](Cc1cnc2ccccn12)[C@H]1CCCN(c2cccnn2)C1 ZINC000159890774 197372082 /nfs/dbraw/zinc/37/20/82/197372082.db2.gz WAHZABDEPXXIGI-HNNXBMFYSA-N 1 0 322.416 2.225 10 70 DEIERO CC[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(C(N)=S)cc2)C1 ZINC000159900346 197371908 /nfs/dbraw/zinc/37/19/08/197371908.db2.gz JCPAPCGXHWCUIP-GFCCVEGCSA-N 1 0 305.447 2.381 10 70 DEIERO OC[C@@H](c1cc(F)cc(C(F)(F)F)c1)N1CCC[NH2+]CC1 ZINC000159367309 197348848 /nfs/dbraw/zinc/34/88/48/197348848.db2.gz NDGQDPIAUOCSCN-ZDUSSCGKSA-N 1 0 306.303 2.173 10 70 DEIERO CC[N@H+](CC(=O)Nc1c(F)cccc1F)C[C@](C)(O)CC ZINC000160456496 402346264 /nfs/dbraw/zinc/34/62/64/402346264.db2.gz JYOHHJRRGCDFPL-OAHLLOKOSA-N 1 0 300.349 2.386 10 70 DEIERO CC(C)(C)C(=O)N1CCC(C[N@@H+]2CCN3CCCC[C@@H]3C2)CC1 ZINC000160593034 402353390 /nfs/dbraw/zinc/35/33/90/402353390.db2.gz YZKACSKBOBHDSG-QGZVFWFLSA-N 1 0 321.509 2.441 10 70 DEIERO Cc1cc(C[C@H](C)NC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)[nH]n1 ZINC000160753911 402359561 /nfs/dbraw/zinc/35/95/61/402359561.db2.gz DRXAMIPDEKWSLK-XJKSGUPXSA-N 1 0 321.469 2.069 10 70 DEIERO C[C@@H](NC(=O)NCC1CC[NH+](C)CC1)[C@H]1COc2ccccc21 ZINC000160829927 402361927 /nfs/dbraw/zinc/36/19/27/402361927.db2.gz KMKMYVIGZZAWHS-CZUORRHYSA-N 1 0 317.433 2.192 10 70 DEIERO CCC[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[NH+](C)C ZINC000161169119 402376173 /nfs/dbraw/zinc/37/61/73/402376173.db2.gz HZVQAVVYZHMNJG-MRXNPFEDSA-N 1 0 307.413 2.205 10 70 DEIERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CCn2cnc3ccccc32)C1 ZINC000161365223 402384761 /nfs/dbraw/zinc/38/47/61/402384761.db2.gz MTOSQXQRIOBMDU-ZBFHGGJFSA-N 1 0 314.433 2.271 10 70 DEIERO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000161409117 402386480 /nfs/dbraw/zinc/38/64/80/402386480.db2.gz YJQGLOJFVLIYOR-DLBZAZTESA-N 1 0 317.433 2.324 10 70 DEIERO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(OCC(F)F)cc1 ZINC000159548282 186126380 /nfs/dbraw/zinc/12/63/80/186126380.db2.gz SKXFQYSUWAOJRR-DGCLKSJQSA-N 1 0 312.360 2.416 10 70 DEIERO CCOC(CCSc1nnc(C[NH3+])n1C(C)C)OCC ZINC000159553830 186127175 /nfs/dbraw/zinc/12/71/75/186127175.db2.gz HUFQOJQMRXTHFH-UHFFFAOYSA-N 1 0 302.444 2.199 10 70 DEIERO C[NH2+]Cc1ccc(S(=O)(=O)N2CC[C@@H](C(C)(C)C)C2)cc1 ZINC000160618579 197426280 /nfs/dbraw/zinc/42/62/80/197426280.db2.gz NLFHMAQCTWXQIQ-CQSZACIVSA-N 1 0 310.463 2.463 10 70 DEIERO CCC[NH2+]C[C@@H]1CCc2nc([C@@H]3CSCCO3)ncc2C1 ZINC000159998661 197378973 /nfs/dbraw/zinc/37/89/73/197378973.db2.gz SJSZRARBPBSMOU-DOMZBBRYSA-N 1 0 307.463 2.386 10 70 DEIERO CCC[C@H]1CCN(S(=O)(=O)c2cccc3c2CC[NH2+]C3)C1 ZINC000159967252 197376836 /nfs/dbraw/zinc/37/68/36/197376836.db2.gz BBFHFJQEAGKRNH-ZDUSSCGKSA-N 1 0 308.447 2.143 10 70 DEIERO CO[C@H]1C[NH2+]C[C@@H]1n1cncc1-c1ccc(Br)cc1 ZINC000159508466 197358854 /nfs/dbraw/zinc/35/88/54/197358854.db2.gz NQKXMXLJQFGBCP-KBPBESRZSA-N 1 0 322.206 2.472 10 70 DEIERO Cc1csc2nc(C)c(C[NH2+]CC(=O)N3CCCCC3)n12 ZINC000159500418 197358520 /nfs/dbraw/zinc/35/85/20/197358520.db2.gz XEWFWIXTWHGNRT-UHFFFAOYSA-N 1 0 306.435 2.115 10 70 DEIERO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cccc2c1OC(C)(C)C2 ZINC000159574604 402325730 /nfs/dbraw/zinc/32/57/30/402325730.db2.gz KGXGSPVLUXLBRJ-IUODEOHRSA-N 1 0 302.418 2.486 10 70 DEIERO CCCC1(CNC(=O)NCCCC[NH+]2CCOCC2)CCC1 ZINC000160392201 402343644 /nfs/dbraw/zinc/34/36/44/402343644.db2.gz PYVMLLZCXZRBIH-UHFFFAOYSA-N 1 0 311.470 2.368 10 70 DEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccc(Cl)cc1F ZINC000160620217 402354536 /nfs/dbraw/zinc/35/45/36/402354536.db2.gz CGWDLTFXOZGBPM-LBPRGKRZSA-N 1 0 314.788 2.056 10 70 DEIERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)c2ccc3c(c2)CCC3)C1 ZINC000161099258 402372806 /nfs/dbraw/zinc/37/28/06/402372806.db2.gz WIJYQGZUIZEYTJ-DYVFJYSZSA-N 1 0 314.429 2.203 10 70 DEIERO CCC[C@@H](C(=O)NCc1cc(OC)c(OC)c(OC)c1)[NH+](C)C ZINC000161277364 402380390 /nfs/dbraw/zinc/38/03/90/402380390.db2.gz GVUXBZHHXMZTEX-ZDUSSCGKSA-N 1 0 324.421 2.059 10 70 DEIERO CCn1cnnc1[C@H]1CCC[N@H+](C[C@H](O)Cc2ccccc2)C1 ZINC000161281623 402380853 /nfs/dbraw/zinc/38/08/53/402380853.db2.gz YGRLZVJBJHJERW-DLBZAZTESA-N 1 0 314.433 2.081 10 70 DEIERO CC(C)[N@H+](CCc1nccs1)CC(=O)NCc1cccnc1 ZINC000159942841 402334568 /nfs/dbraw/zinc/33/45/68/402334568.db2.gz YDBGDDXZZDIEHZ-UHFFFAOYSA-N 1 0 318.446 2.107 10 70 DEIERO CCC[C@H](C(=O)NCc1cccc(Cn2ccnc2)c1)[NH+](C)C ZINC000161496306 402389484 /nfs/dbraw/zinc/38/94/84/402389484.db2.gz QSMGTJAKZGGMNA-QGZVFWFLSA-N 1 0 314.433 2.278 10 70 DEIERO CC[NH+]1CCN(CCCNC(=O)[C@@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000160442412 535696781 /nfs/dbraw/zinc/69/67/81/535696781.db2.gz BRBFELALVRFZEK-QZTJIDSGSA-N 1 0 321.509 2.347 10 70 DEIERO CCC[C@H](C(=O)NC[C@H](O)c1ccc(OC(C)C)cc1)[NH+](C)C ZINC000160302239 197399359 /nfs/dbraw/zinc/39/93/59/197399359.db2.gz MFCULXJXJJVOJI-SJORKVTESA-N 1 0 322.449 2.354 10 70 DEIERO CC[C@@H](COC)NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000160124913 197387975 /nfs/dbraw/zinc/38/79/75/197387975.db2.gz RWXZQXSBVZIIND-AWEZNQCLSA-N 1 0 311.401 2.112 10 70 DEIERO O=C1CC[C@H]2C[NH2+]CC[C@@H]2N1C[C@@H]1CSc2ccccc21 ZINC000160036438 197380960 /nfs/dbraw/zinc/38/09/60/197380960.db2.gz ICPVWPWCGQHXBE-GUTXKFCHSA-N 1 0 302.443 2.476 10 70 DEIERO CC(C)[NH2+]C[C@H]1COCCN1C[C@@H]1Cc2ccccc2S1 ZINC000159980931 197378237 /nfs/dbraw/zinc/37/82/37/197378237.db2.gz UMAKHKPTISZNDJ-HOTGVXAUSA-N 1 0 306.475 2.402 10 70 DEIERO CC(C)(C)[C@@H]1CCN(S(=O)(=O)CC[C@@H]2CCCC[NH2+]2)C1 ZINC000159964268 197377092 /nfs/dbraw/zinc/37/70/92/197377092.db2.gz DLVVXZYHAGIQSI-KGLIPLIRSA-N 1 0 302.484 2.216 10 70 DEIERO C[C@H]1OCC[C@@H]1[N@H+](C)CCCOc1ccccc1C(N)=S ZINC000159488185 197357589 /nfs/dbraw/zinc/35/75/89/197357589.db2.gz IPMBNMAAXKIVBU-OCCSQVGLSA-N 1 0 308.447 2.199 10 70 DEIERO CC(=O)NC1CCC([NH2+][C@@H](C)Cc2c(C)nn(C)c2C)CC1 ZINC000161031464 402369957 /nfs/dbraw/zinc/36/99/57/402369957.db2.gz RXUUUGUUXUHLJI-SOISORPOSA-N 1 0 306.454 2.005 10 70 DEIERO CCOC(=O)[C@H]1CCCCN1Cc1cnc2nc(C)cc(C)n12 ZINC000161260973 402379508 /nfs/dbraw/zinc/37/95/08/402379508.db2.gz VJABPMHRGRVPQP-OAHLLOKOSA-N 1 0 316.405 2.264 10 70 DEIERO CCC[C@@H](C(=O)NCc1cnn(-c2ccccc2)c1)[NH+](C)C ZINC000161370963 402385030 /nfs/dbraw/zinc/38/50/30/402385030.db2.gz LFCZHCILTMAAAC-INIZCTEOSA-N 1 0 300.406 2.219 10 70 DEIERO CCCOC(=O)[C@@H](C)N1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000160089958 520216475 /nfs/dbraw/zinc/21/64/75/520216475.db2.gz VCQBXSYIQPJUCO-HUUCEWRRSA-N 1 0 305.422 2.466 10 70 DEIERO CC[C@H](C[NH2+]C1CCN(C(N)=O)CC1)Oc1ccccc1F ZINC000160305874 522194859 /nfs/dbraw/zinc/19/48/59/522194859.db2.gz NDAUFNHZPOEYPI-CYBMUJFWSA-N 1 0 309.385 2.116 10 70 DEIERO Cc1cccc(CNC(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000160938595 524417825 /nfs/dbraw/zinc/41/78/25/524417825.db2.gz PAMPHVJTTXYYTF-IEBWSBKVSA-N 1 0 316.445 2.238 10 70 DEIERO Cc1ccccc1CNC(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160983302 525153051 /nfs/dbraw/zinc/15/30/51/525153051.db2.gz XGSLLQDPYZJLTJ-MJGOQNOKSA-N 1 0 316.445 2.238 10 70 DEIERO Cc1cc(N[C@H]2CCCC[C@@H]2C(N)=O)nc(-c2ccncc2)n1 ZINC000159607614 539582984 /nfs/dbraw/zinc/58/29/84/539582984.db2.gz HCIHUIMFZSQTFP-KBPBESRZSA-N 1 0 311.389 2.303 10 70 DEIERO CO[C@@]1(C[NH2+]C[C@@H](O)c2cc(Cl)ccc2Cl)CCOC1 ZINC000160293714 197398640 /nfs/dbraw/zinc/39/86/40/197398640.db2.gz GXHJIKJUYAOSJK-ZIAGYGMSSA-N 1 0 320.216 2.422 10 70 DEIERO O=C(CC/C=C/c1ccccc1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160178686 197391589 /nfs/dbraw/zinc/39/15/89/197391589.db2.gz DFKVDPXYPRPRBK-CZIMKVFHSA-N 1 0 316.445 2.443 10 70 DEIERO CCSCc1nc(C)c2c(n1)CC[C@H](C[NH2+]CCOC)C2 ZINC000160239259 197394622 /nfs/dbraw/zinc/39/46/22/197394622.db2.gz WLZYCNGHDRFBMW-ZDUSSCGKSA-N 1 0 309.479 2.379 10 70 DEIERO CCSCC[C@@H](C)[NH2+][C@@H]1CC(=O)N(C(CC)CC)C1=O ZINC000160077647 197384740 /nfs/dbraw/zinc/38/47/40/197384740.db2.gz MFPWWKHKJHZFFV-DGCLKSJQSA-N 1 0 300.468 2.424 10 70 DEIERO C[C@H](CC(=O)NC[C@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000160080440 197384494 /nfs/dbraw/zinc/38/44/94/197384494.db2.gz HLVIQEQGPGJSLF-WBVHZDCISA-N 1 0 304.434 2.143 10 70 DEIERO Cc1cc(C)n(Cc2ccc(C(=O)NCC(C)(C)[NH3+])cc2)n1 ZINC000159947636 197375713 /nfs/dbraw/zinc/37/57/13/197375713.db2.gz AJUIQZCHVOJMRH-UHFFFAOYSA-N 1 0 300.406 2.015 10 70 DEIERO c1ccc2c(c1)SC[C@H]2CN1CCOC[C@@H]1C[NH2+]C1CC1 ZINC000159941925 197374843 /nfs/dbraw/zinc/37/48/43/197374843.db2.gz BSSKDAXCUJKXRV-HIFRSBDPSA-N 1 0 304.459 2.329 10 70 DEIERO CC[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2C(N)=S)C1 ZINC000159908253 197372978 /nfs/dbraw/zinc/37/29/78/197372978.db2.gz ASQFEEPXNPRTQV-LBPRGKRZSA-N 1 0 305.447 2.381 10 70 DEIERO C[C@H]1C[C@@H]([NH2+][C@H]2CCC(=O)N(C)C2=O)c2ccsc2S1 ZINC000217005729 402290544 /nfs/dbraw/zinc/29/05/44/402290544.db2.gz OQKPXOSUHXSNSH-INTQDDNPSA-N 1 0 310.444 2.411 10 70 DEIERO CC[C@@](C)(O)C[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000160841949 402362693 /nfs/dbraw/zinc/36/26/93/402362693.db2.gz VXKXOCZELTXOPF-QGZVFWFLSA-N 1 0 316.405 2.472 10 70 DEIERO CC[NH+](CC)CC(=O)Nc1ccc(-c2nc(C)cc(=O)[nH]2)cc1 ZINC000161128843 402374202 /nfs/dbraw/zinc/37/42/02/402374202.db2.gz ZSNOYTKJOZLABH-UHFFFAOYSA-N 1 0 314.389 2.026 10 70 DEIERO Cc1cc(=O)[nH]c(-c2ccc(NC(=O)C[N@@H+](C)C(C)C)cc2)n1 ZINC000161142378 402374800 /nfs/dbraw/zinc/37/48/00/402374800.db2.gz RPBCMLFVJPSJML-UHFFFAOYSA-N 1 0 314.389 2.024 10 70 DEIERO CCn1cnnc1[C@H]1CCCN(CC(=O)Nc2ccccc2)C1 ZINC000161316706 402381919 /nfs/dbraw/zinc/38/19/19/402381919.db2.gz XBYQODFBSMMECX-AWEZNQCLSA-N 1 0 313.405 2.116 10 70 DEIERO CC(=O)c1c(C)[nH]c(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c1C ZINC000161331271 402382569 /nfs/dbraw/zinc/38/25/69/402382569.db2.gz SWIDRTWJXMWAIL-IINYFYTJSA-N 1 0 305.422 2.293 10 70 DEIERO CCn1cnnc1[C@H]1CCC[N@H+](CCCOCC(F)(F)F)C1 ZINC000161351007 402384169 /nfs/dbraw/zinc/38/41/69/402384169.db2.gz LAEVEYUVNJHMOG-LBPRGKRZSA-N 1 0 320.359 2.446 10 70 DEIERO CC(=O)NC1CCC([NH2+]CC[C@H]2c3ccccc3NC2=O)CC1 ZINC000161228940 519645225 /nfs/dbraw/zinc/64/52/25/519645225.db2.gz ATSJQANVVMGQOY-XUJLQICISA-N 1 0 315.417 2.149 10 70 DEIERO CCCOC(=O)[C@H](C)N1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000160090076 520220640 /nfs/dbraw/zinc/22/06/40/520220640.db2.gz VCQBXSYIQPJUCO-LSDHHAIUSA-N 1 0 305.422 2.466 10 70 DEIERO C[NH+](C)[C@@H]1CCN(C(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)C1 ZINC000160936123 282198000 /nfs/dbraw/zinc/19/80/00/282198000.db2.gz LRHFIUSCLKTVSK-ZACQAIPSSA-N 1 0 317.433 2.252 10 70 DEIERO C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)N1C(=O)C1CC[NH2+]CC1 ZINC000159548002 186126509 /nfs/dbraw/zinc/12/65/09/186126509.db2.gz YMLLMHRTXQQSQA-KEYYUXOJSA-N 1 0 302.418 2.363 10 70 DEIERO CC[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1C)C(N)=[NH2+] ZINC000160935201 197451946 /nfs/dbraw/zinc/45/19/46/197451946.db2.gz LZUKVTYPKFKEKW-SECBINFHSA-N 1 0 323.340 2.007 10 70 DEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cc2ccccc2s1 ZINC000160147844 197388999 /nfs/dbraw/zinc/38/89/99/197388999.db2.gz GPHWCSLOZFWRRO-AWEZNQCLSA-N 1 0 318.442 2.478 10 70 DEIERO COc1cccc(Cl)c1CC(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000160142668 197389067 /nfs/dbraw/zinc/38/90/67/197389067.db2.gz HUCDXFZIVNLXHN-LBPRGKRZSA-N 1 0 310.825 2.444 10 70 DEIERO COCC[NH2+]C[C@@H]1CCc2nc([C@H]3CCCS3)ncc2C1 ZINC000160084220 197384300 /nfs/dbraw/zinc/38/43/00/197384300.db2.gz UVBHDMAHMYBYAB-IUODEOHRSA-N 1 0 307.463 2.386 10 70 DEIERO C[NH2+]C[C@@H]1COCCN1Cc1ccc(OC(F)(F)F)cc1 ZINC000159901939 197372110 /nfs/dbraw/zinc/37/21/10/197372110.db2.gz NACYMQACFONDTF-GFCCVEGCSA-N 1 0 304.312 2.005 10 70 DEIERO CC[NH2+]C[C@H](O)c1ncc(Br)cc1Br ZINC000159797174 197365418 /nfs/dbraw/zinc/36/54/18/197365418.db2.gz GPVCZBBHKUQSEW-QMMMGPOBSA-N 1 0 324.016 2.250 10 70 DEIERO C[C@@H]1OCC[C@@H]1[N@H+](C)CCCOc1cccc(C(N)=S)c1 ZINC000159491352 197357593 /nfs/dbraw/zinc/35/75/93/197357593.db2.gz CTBPMIAQIPQNOC-WFASDCNBSA-N 1 0 308.447 2.199 10 70 DEIERO CCCC1(CNC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000160455257 402346566 /nfs/dbraw/zinc/34/65/66/402346566.db2.gz ZOVHQTUZDXJWFI-UHFFFAOYSA-N 1 0 316.449 2.144 10 70 DEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccc2c(c1)CCCC2 ZINC000160478967 402347117 /nfs/dbraw/zinc/34/71/17/402347117.db2.gz YVTVMZDGMPHQOP-SFHVURJKSA-N 1 0 316.445 2.142 10 70 DEIERO CCC(CC)CNC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000160564683 402351264 /nfs/dbraw/zinc/35/12/64/402351264.db2.gz KZEBAXRAXBBCPR-KRWDZBQOSA-N 1 0 324.513 2.234 10 70 DEIERO Cc1ccccc1[C@H](C)CC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160582607 402352503 /nfs/dbraw/zinc/35/25/03/402352503.db2.gz ALBJFBFFAUMBTA-SJORKVTESA-N 1 0 318.461 2.452 10 70 DEIERO CCC[C@H](C(=O)NC[C@H](O)c1cccc(OC(C)C)c1)[NH+](C)C ZINC000160630259 402354287 /nfs/dbraw/zinc/35/42/87/402354287.db2.gz HYOFDNNPKQWIDG-SJORKVTESA-N 1 0 322.449 2.354 10 70 DEIERO C[C@H](O)C(C)(C)[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000161130414 402373916 /nfs/dbraw/zinc/37/39/16/402373916.db2.gz NDUOAZOFPFAHMB-QWHCGFSZSA-N 1 0 300.443 2.383 10 70 DEIERO COc1ccc(O[C@@H](C)C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000161391661 402385479 /nfs/dbraw/zinc/38/54/79/402385479.db2.gz RGVBPULYMAZGQR-RDGKXADDSA-N 1 0 318.417 2.204 10 70 DEIERO COC(=O)Nc1ccccc1C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000161410127 402386274 /nfs/dbraw/zinc/38/62/74/402386274.db2.gz HVAXLVRLIBQWHA-WFASDCNBSA-N 1 0 319.405 2.323 10 70 DEIERO