smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccnc(-n2cccc2CN2C[C@H]3C[C@@H](O)C[N@@H+]3C[C@@H]2C)c1 ZINC000019238220 202001801 /nfs/dbraw/zinc/00/18/01/202001801.db2.gz FXUCZOMCLJQTCS-CGTJXYLNSA-N 1 1 326.444 1.820 40 0 EDABMO COc1cc2c(cc1C[N@H+]1CC[C@H](c3cc(=O)[nH]c(C)n3)C1)OCO2 ZINC000019285216 202002665 /nfs/dbraw/zinc/00/26/65/202002665.db2.gz DRZKTGXYNUYTAM-LBPRGKRZSA-N 1 1 343.383 1.805 40 0 EDABMO CNc1nc([C@H]2CCC[N@@H+](C)C2)nc2c1CN(C(=O)CCOC)CC2 ZINC000019711445 202016956 /nfs/dbraw/zinc/01/69/56/202016956.db2.gz JRZVDWZZVCQZFR-ZDUSSCGKSA-N 1 1 347.463 1.249 40 0 EDABMO C[C@@H](Cc1ccc2c(c1)OCO2)CN1C[C@H]2C[C@@H](O)C[N@H+]2C[C@H]1C ZINC000036718964 202329086 /nfs/dbraw/zinc/32/90/86/202329086.db2.gz BEERMGACMMQTOF-XOSAIJSUSA-N 1 1 332.444 1.733 40 0 EDABMO C[C@@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1C[C@H]2C[C@@H](O)CN2C[C@H]1C ZINC000036718964 202329088 /nfs/dbraw/zinc/32/90/88/202329088.db2.gz BEERMGACMMQTOF-XOSAIJSUSA-N 1 1 332.444 1.733 40 0 EDABMO C[C@@H](Cc1ccc2c(c1)OCO2)C[N@H+]1C[C@H]2C[C@@H](O)CN2C[C@H]1C ZINC000036718964 202329092 /nfs/dbraw/zinc/32/90/92/202329092.db2.gz BEERMGACMMQTOF-XOSAIJSUSA-N 1 1 332.444 1.733 40 0 EDABMO c1ncn(C[C@@H]2CC[C@]3(COCC[N@@H+](Cc4ccccc4)C3)O2)n1 ZINC000253596854 244032893 /nfs/dbraw/zinc/03/28/93/244032893.db2.gz WMPCQOOXUXPMFM-ROUUACIJSA-N 1 1 328.416 1.728 40 0 EDABMO Cc1ncc(CNC(=O)Cn2cc(Cl)cn2)c([C@H]2CCC[N@@H+]2C)n1 ZINC000257207185 244135170 /nfs/dbraw/zinc/13/51/70/244135170.db2.gz BGRWPBUWSZMVOP-CQSZACIVSA-N 1 1 348.838 1.718 40 0 EDABMO Cc1nc([C@H]2CN(C(=O)C[N@H+](C)C3CCCC3)CCO2)cc(=O)[nH]1 ZINC000257218600 244173695 /nfs/dbraw/zinc/17/36/95/244173695.db2.gz DDTKWVRPNACWHF-OAHLLOKOSA-N 1 1 334.420 1.265 40 0 EDABMO CC(=O)N1CC[C@H]2[C@@H](C[C@](C)(CO)[N@H+]2Cc2ccc(Cl)cn2)C1 ZINC000257212583 244158457 /nfs/dbraw/zinc/15/84/57/244158457.db2.gz CEBMRYSPKGYMRV-RRQGHBQHSA-N 1 1 337.851 1.929 40 0 EDABMO Cc1cccnc1Nc1cc(C[C@H]2CCC[N@H+](CC(N)=O)C2)ncn1 ZINC000072383608 203211360 /nfs/dbraw/zinc/21/13/60/203211360.db2.gz BIGYDAKWFGSBRM-CQSZACIVSA-N 1 1 340.431 1.663 40 0 EDABMO Cc1cccnc1Nc1cc(C[C@H]2CCC[N@@H+](CC(N)=O)C2)ncn1 ZINC000072383608 203211363 /nfs/dbraw/zinc/21/13/63/203211363.db2.gz BIGYDAKWFGSBRM-CQSZACIVSA-N 1 1 340.431 1.663 40 0 EDABMO COC(=O)C[C@@]1(C(=O)OC)C(=O)C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1 ZINC000072340207 203203479 /nfs/dbraw/zinc/20/34/79/203203479.db2.gz MMUMROJPLZJRGC-VCBZYWHSSA-N 1 1 345.395 1.715 40 0 EDABMO CC(=O)NC1CCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)ccn2)CC1 ZINC000072365884 203207732 /nfs/dbraw/zinc/20/77/32/203207732.db2.gz JFAYUIDHRCBITI-KRWDZBQOSA-N 1 1 330.432 1.589 40 0 EDABMO C[N@H+]1CC[C@H](c2nn(CCNC(=O)C(C)(C)C)c3nccnc23)C1 ZINC000072391637 203214169 /nfs/dbraw/zinc/21/41/69/203214169.db2.gz XNFAEOAVQPOYRB-LBPRGKRZSA-N 1 1 330.436 1.408 40 0 EDABMO Cc1c2ccccc2oc1C(=O)N1C[C@@H](O)[C@H](N2CC[NH+](C)CC2)C1 ZINC000257253266 244274118 /nfs/dbraw/zinc/27/41/18/244274118.db2.gz JYEUKNXCKSVGJV-HZPDHXFCSA-N 1 1 343.427 1.174 40 0 EDABMO Nc1ncnc2c1ncn2[C@H]1CC[N@@H+](Cc2cncs2)CC[C@@H]1O ZINC000257276800 244394841 /nfs/dbraw/zinc/39/48/41/244394841.db2.gz NVDPENQJLMRIMU-RYUDHWBXSA-N 1 1 345.432 1.063 40 0 EDABMO O=C(Nc1cnccn1)[C@H]1C[C@@H]2CC[N@H+](Cc3ccco3)C[C@H]2O1 ZINC000096042816 203802890 /nfs/dbraw/zinc/80/28/90/203802890.db2.gz RLRKGNGWSORYAD-NWANDNLSSA-N 1 1 328.372 1.688 40 0 EDABMO O=C(Nc1cnccn1)[C@H]1C[C@@H]2CC[N@@H+](Cc3ccco3)C[C@H]2O1 ZINC000096042816 203802894 /nfs/dbraw/zinc/80/28/94/203802894.db2.gz RLRKGNGWSORYAD-NWANDNLSSA-N 1 1 328.372 1.688 40 0 EDABMO Cn1cc(C[N@H+]2CC[C@H]3[C@@H](Cc4nnc(C5CC5)o4)OC[C@H]3C2)cn1 ZINC000096207387 203867572 /nfs/dbraw/zinc/86/75/72/203867572.db2.gz ASGVIEUPAIRIMO-BZUAXINKSA-N 1 1 343.431 1.760 40 0 EDABMO CS(=O)(=O)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC000096220172 203875045 /nfs/dbraw/zinc/87/50/45/203875045.db2.gz VECATTZMRYKBRF-IAGOWNOFSA-N 1 1 342.505 1.407 40 0 EDABMO C[N@H+]1CCO[C@@H]2CN(S(=O)(=O)c3ccc(F)cc3)CC[C@@H]2C1 ZINC000096249554 203882624 /nfs/dbraw/zinc/88/26/24/203882624.db2.gz UGFUHAPZPHELPT-IUODEOHRSA-N 1 1 328.409 1.167 40 0 EDABMO COCC[N@H+]1CC[C@@H]2OCCC[C@@]2(COCC(=O)N2CCCC2)C1 ZINC000107712161 204245745 /nfs/dbraw/zinc/24/57/45/204245745.db2.gz WCLWCGWEWIKNPW-WMZOPIPTSA-N 1 1 340.464 1.143 40 0 EDABMO c1cn(C[C@H]2CO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)cn1 ZINC000107738997 204246892 /nfs/dbraw/zinc/24/68/92/204246892.db2.gz UEPOILGZIKXSFL-ROUUACIJSA-N 1 1 328.416 1.586 40 0 EDABMO c1cn(C[C@H]2CO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)cn1 ZINC000107738997 204246895 /nfs/dbraw/zinc/24/68/95/204246895.db2.gz UEPOILGZIKXSFL-ROUUACIJSA-N 1 1 328.416 1.586 40 0 EDABMO O=C1CO[C@]2(CN1c1ccoc1)COCC[N@H+](Cc1cccs1)C2 ZINC000096051390 275019229 /nfs/dbraw/zinc/01/92/29/275019229.db2.gz FLASPJCJEPZFRX-QGZVFWFLSA-N 1 1 348.424 1.976 40 0 EDABMO O=C1CO[C@]2(CN1c1ccoc1)COCC[N@@H+](Cc1cccs1)C2 ZINC000096051390 275019230 /nfs/dbraw/zinc/01/92/30/275019230.db2.gz FLASPJCJEPZFRX-QGZVFWFLSA-N 1 1 348.424 1.976 40 0 EDABMO CNC(=O)[C@@H]1CN(Cc2ccsc2)CC[N@H+](C2CCOCC2)C1 ZINC000257203239 277245830 /nfs/dbraw/zinc/24/58/30/277245830.db2.gz APEDYBGETIUNEV-OAHLLOKOSA-N 1 1 337.489 1.407 40 0 EDABMO COc1ccc([C@H]2[C@H]([NH3+])C(=O)N2c2ccc3c(c2)OCCO3)cc1 ZINC000072227667 441207612 /nfs/dbraw/zinc/20/76/12/441207612.db2.gz ZRDYTUZRYKIIDL-IRXDYDNUSA-N 1 1 326.352 1.882 40 0 EDABMO Cn1cncc1C[N@H+]1CC[C@@]2(CCC[C@H]2C(=O)N2CC(F)(F)C2)C1 ZINC000108536520 441462004 /nfs/dbraw/zinc/46/20/04/441462004.db2.gz MGADSNVINHDKGA-HOCLYGCPSA-N 1 1 338.402 1.890 40 0 EDABMO CC(C)Oc1ccc(NC(=O)C(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000042646776 441762263 /nfs/dbraw/zinc/76/22/63/441762263.db2.gz YVZZCXLINJCMOK-UHFFFAOYSA-N 1 1 349.431 1.251 40 0 EDABMO CN1CCN([C@H]2COC3(C2)CC[NH+](CC2CCOCC2)CC3)CC1 ZINC000096048868 441996606 /nfs/dbraw/zinc/99/66/06/441996606.db2.gz NFWVPHQJSQJUAO-GOSISDBHSA-N 1 1 337.508 1.284 40 0 EDABMO O=C(C[C@@H]1COC[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]21)N1CCOCC1 ZINC000096057235 442004319 /nfs/dbraw/zinc/00/43/19/442004319.db2.gz MUMUDXPOCUXXQI-KURKYZTESA-N 1 1 345.443 1.025 40 0 EDABMO O=C([C@H]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2cccs2)O1)N1CCOCC1 ZINC000096057490 442004849 /nfs/dbraw/zinc/00/48/49/442004849.db2.gz CGNNMAWQMIAQRG-BZUAXINKSA-N 1 1 336.457 1.729 40 0 EDABMO Cc1ccc(C[N@H+]2CC[C@H]3OCC[C@@H](C(=O)N4CCCO4)[C@@H]3C2)o1 ZINC000096058302 442007166 /nfs/dbraw/zinc/00/71/66/442007166.db2.gz LCVNFUIXFFWQCI-IXDOHACOSA-N 1 1 334.416 1.979 40 0 EDABMO CC(C)[N@@H+](C)C[C@@H]1CO[C@]2(C1)COCCN(C(=O)c1ccnnc1)C2 ZINC000096078535 442021519 /nfs/dbraw/zinc/02/15/19/442021519.db2.gz PXEFGEDBJFGAAP-QAPCUYQASA-N 1 1 348.447 1.065 40 0 EDABMO Cc1cccc(C[N@H+]2C[C@H]3CCN(C(=O)c4cnccn4)C[C@H]3C2)n1 ZINC000096081526 442023181 /nfs/dbraw/zinc/02/31/81/442023181.db2.gz VZNPDHBJNAFWPJ-HZPDHXFCSA-N 1 1 337.427 1.774 40 0 EDABMO Cc1cnc(N2CCc3[nH+]c(N4CCCC4)nc(N(C)C)c3C2)nc1 ZINC000096083696 442024466 /nfs/dbraw/zinc/02/44/66/442024466.db2.gz FMLGVLFVAFONPY-UHFFFAOYSA-N 1 1 339.447 1.804 40 0 EDABMO CN(C)C(=O)[C@H]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccc3c(c2)OCO3)O1 ZINC000096187231 442064747 /nfs/dbraw/zinc/06/47/47/442064747.db2.gz MHSOLRJFJMRSJI-IIAWOOMASA-N 1 1 332.400 1.625 40 0 EDABMO CC(C)NC(=O)N1CCOC[C@@]2(CC[N@H+](Cc3nccs3)C2)C1 ZINC000096202234 442077846 /nfs/dbraw/zinc/07/78/46/442077846.db2.gz FZNNLUAUJXLSJX-MRXNPFEDSA-N 1 1 338.477 1.785 40 0 EDABMO CC(C)NC(=O)N1CCOC[C@@]2(CC[N@@H+](Cc3nccs3)C2)C1 ZINC000096202234 442077852 /nfs/dbraw/zinc/07/78/52/442077852.db2.gz FZNNLUAUJXLSJX-MRXNPFEDSA-N 1 1 338.477 1.785 40 0 EDABMO Cc1cccc(CN2CCC3(CC2)C(=O)N(C)CC[N@H+]3CC2CC2)n1 ZINC000096230284 442097082 /nfs/dbraw/zinc/09/70/82/442097082.db2.gz CQNCZCKAWJOGLF-UHFFFAOYSA-N 1 1 342.487 1.909 40 0 EDABMO Cc1cccc(C[NH+]2CCC3(CC2)C(=O)N(C)CCN3CC2CC2)n1 ZINC000096230284 442097089 /nfs/dbraw/zinc/09/70/89/442097089.db2.gz CQNCZCKAWJOGLF-UHFFFAOYSA-N 1 1 342.487 1.909 40 0 EDABMO CC(C)[NH+]1CCN(CC(=O)N2CCNC[C@@H]2c2ccccc2)CC1 ZINC000257297224 443135396 /nfs/dbraw/zinc/13/53/96/443135396.db2.gz RGKCGMXCJPTADT-GOSISDBHSA-N 1 1 330.476 1.186 40 0 EDABMO Cc1cc(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)n2nccc2n1 ZINC000257305676 443139494 /nfs/dbraw/zinc/13/94/94/443139494.db2.gz SQZPYBVLCSMEKY-OAHLLOKOSA-N 1 1 331.420 1.124 40 0 EDABMO CC(=O)N1CCC(O)(C[N@H+]2CCC[C@@H](c3cncc(C)n3)C2)CC1 ZINC000257315523 443144391 /nfs/dbraw/zinc/14/43/91/443144391.db2.gz VBUNHXZABUZQJX-MRXNPFEDSA-N 1 1 332.448 1.338 40 0 EDABMO O=C(CN1CCCC1)N1CC[C@](O)(C[N@@H+]2CCc3ccccc3C2)C1 ZINC000257323232 443146651 /nfs/dbraw/zinc/14/66/51/443146651.db2.gz WJGJXEGIJSPBBS-FQEVSTJZSA-N 1 1 343.471 1.104 40 0 EDABMO O=C(CN1CCCC1)N1CC[C@](O)(C[N@H+]2CCc3ccccc3C2)C1 ZINC000257323232 443146656 /nfs/dbraw/zinc/14/66/56/443146656.db2.gz WJGJXEGIJSPBBS-FQEVSTJZSA-N 1 1 343.471 1.104 40 0 EDABMO CC1(C)Oc2c(O)cccc2[C@H]2O[C@H]3CC[N@H+](CC(N)=O)[C@H]3C[C@@H]21 ZINC000257229796 443126062 /nfs/dbraw/zinc/12/60/62/443126062.db2.gz FZMXELZXPBPSCD-LMRQPLJMSA-N 1 1 332.400 1.569 40 0 EDABMO CC1(C)Oc2c(O)cccc2[C@H]2O[C@H]3CC[N@@H+](CC(N)=O)[C@H]3C[C@@H]21 ZINC000257229796 443126065 /nfs/dbraw/zinc/12/60/65/443126065.db2.gz FZMXELZXPBPSCD-LMRQPLJMSA-N 1 1 332.400 1.569 40 0 EDABMO CC(=O)N1CCC(O)(C[N@H+]2CCC[C@@H]2CCc2ccncc2)CC1 ZINC000257282688 443128845 /nfs/dbraw/zinc/12/88/45/443128845.db2.gz OUVBUTNWDBJUPF-GOSISDBHSA-N 1 1 331.460 1.852 40 0 EDABMO CCc1nnsc1C(=O)NCc1cnc(C)nc1[C@@H]1CCC[N@H+]1C ZINC000257329970 443150175 /nfs/dbraw/zinc/15/01/75/443150175.db2.gz XMFUGDJRJBAKFN-ZDUSSCGKSA-N 1 1 346.460 1.896 40 0 EDABMO C[NH+](C)Cc1c[nH]c([C@H]2CN(C(=O)CCc3cccnc3)CCO2)n1 ZINC000257334146 443152125 /nfs/dbraw/zinc/15/21/25/443152125.db2.gz YESIBDBRFDGSOE-MRXNPFEDSA-N 1 1 343.431 1.399 40 0 EDABMO C[NH+](C)Cc1cnc([C@H]2CN(C(=O)CCc3cccnc3)CCO2)[nH]1 ZINC000257334146 443152134 /nfs/dbraw/zinc/15/21/34/443152134.db2.gz YESIBDBRFDGSOE-MRXNPFEDSA-N 1 1 343.431 1.399 40 0 EDABMO COc1nc(OC)nc(N2CCC[C@@H](c3cc[nH+]c(N(C)C)c3)C2)n1 ZINC000257345088 443156933 /nfs/dbraw/zinc/15/69/33/443156933.db2.gz ZZXHVBDACCFQGN-CYBMUJFWSA-N 1 1 344.419 1.734 40 0 EDABMO Cc1ccc(C[N@H+]2C[C@H]3OC[C@@H](CNC(=O)c4ccncc4)[C@H]3C2)o1 ZINC000306142486 444287641 /nfs/dbraw/zinc/28/76/41/444287641.db2.gz XAMLIXNHCSBRGO-KBAYOESNSA-N 1 1 341.411 1.860 40 0 EDABMO CNc1cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)[nH+]c(C)n1 ZINC000329039673 444454297 /nfs/dbraw/zinc/45/42/97/444454297.db2.gz RYPGNNSORINPIU-UHFFFAOYSA-N 1 1 333.417 1.037 40 0 EDABMO COCCN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1ccc(OC)cc1)C2 ZINC000585105010 448687882 /nfs/dbraw/zinc/68/78/82/448687882.db2.gz YOZMXAPATGJVJS-IBGZPJMESA-N 1 1 348.443 1.393 40 0 EDABMO Cc1ccccc1OC[C@]1(O)CCC[N@H+](CC(=O)N2CCOCC2)C1 ZINC000585275515 448719836 /nfs/dbraw/zinc/71/98/36/448719836.db2.gz BYYHGJQFYMKRAS-IBGZPJMESA-N 1 1 348.443 1.060 40 0 EDABMO Cc1ccccc1OC[C@]1(O)CCC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC000585275515 448719842 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443138372 /nfs/dbraw/zinc/13/83/72/443138372.db2.gz SEOAAYOPSPCCGU-KRWDZBQOSA-N 1 1 347.459 1.436 40 0 EDABMO CN(C)c1cc(CC[C@H]2CN(C(=O)c3cnn(C)c3)CCO2)cc[nH+]1 ZINC000257305883 443139251 /nfs/dbraw/zinc/13/92/51/443139251.db2.gz SRYCMYWPYXQJLM-INIZCTEOSA-N 1 1 343.431 1.355 40 0 EDABMO Cc1nc([C@@]2(C)CCC[N@H+](C3CCOCC3)C2)nc2c1CC(=O)N2C ZINC000257311280 443142446 /nfs/dbraw/zinc/14/24/46/443142446.db2.gz UITPSJBFCYURAY-IBGZPJMESA-N 1 1 344.459 1.836 40 0 EDABMO O=C(C[NH2+]C[C@H]1CCCO1)N1CCNC[C@@H]1c1cccc(Cl)c1 ZINC000261694542 443164814 /nfs/dbraw/zinc/16/48/14/443164814.db2.gz HTLOBVPDPBMQSW-HZPDHXFCSA-N 1 1 337.851 1.582 40 0 EDABMO CNc1cncc([C@@H]2CCC[N@H+]2C2CCN(S(C)(=O)=O)CC2)n1 ZINC000257338994 443154011 /nfs/dbraw/zinc/15/40/11/443154011.db2.gz YZUJCBQYSXGYNU-AWEZNQCLSA-N 1 1 339.465 1.079 40 0 EDABMO O=C1CCCN1C[C@H]1CC[C@]2(COCC[N@H+](C3CCOCC3)C2)O1 ZINC000306132246 444286253 /nfs/dbraw/zinc/28/62/53/444286253.db2.gz LCYGCDWWOWAORR-AEFFLSMTSA-N 1 1 338.448 1.038 40 0 EDABMO 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244116219 /nfs/dbraw/zinc/11/62/19/244116219.db2.gz AAVRCEIJCZPSPH-PKOBYXMFSA-N 1 1 330.428 1.846 40 0 EDABMO CCS(=O)(=O)N1CC[C@@](O)(C[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC000257220523 244182103 /nfs/dbraw/zinc/18/21/03/244182103.db2.gz DLCRFYOHFBGXIN-OAHLLOKOSA-N 1 1 330.425 1.044 40 0 EDABMO O=C(c1ccc(Cl)cc1)N1CC[C@H](O)[C@@H]([NH+]2CCOCC2)CC1 ZINC000257234594 244222069 /nfs/dbraw/zinc/22/20/69/244222069.db2.gz GUGQABLMBCZDIE-HOTGVXAUSA-N 1 1 338.835 1.638 40 0 EDABMO CN(C)c1cc(CC[C@H]2CN(C(=O)c3cccn3C)CCO2)cc[nH+]1 ZINC000257257009 244283656 /nfs/dbraw/zinc/28/36/56/244283656.db2.gz KNRPLQJOLDLZHO-INIZCTEOSA-N 1 1 342.443 1.960 40 0 EDABMO OCCOc1cccc(C[N@H+]2C[C@@H](O)[C@H](Oc3cccc(F)c3)C2)c1 ZINC000257259603 244293506 /nfs/dbraw/zinc/29/35/06/244293506.db2.gz KZBSJGNBUNIGKJ-RTBURBONSA-N 1 1 347.386 1.821 40 0 EDABMO Cc1ccnc(-n2cccc2CN2C[C@@H]3C[C@@H](O)C[N@@H+]3C[C@@H]2C)c1 ZINC000019238221 212008502 /nfs/dbraw/zinc/00/85/02/212008502.db2.gz FXUCZOMCLJQTCS-RYQLBKOJSA-N 1 1 326.444 1.820 40 0 EDABMO C[NH+]1CCN(c2ncnc3c2CCN(C(=O)C2CC=CC2)CC3)CC1 ZINC000096187697 218655565 /nfs/dbraw/zinc/65/55/65/218655565.db2.gz AOOOZOTWDYAFOI-UHFFFAOYSA-N 1 1 341.459 1.122 40 0 EDABMO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](C[C@@H](O)COC2CCCCC2)C1 ZINC000005997914 440977204 /nfs/dbraw/zinc/97/72/04/440977204.db2.gz DXUPJBKWHBRLDL-GVDBMIGSSA-N 1 1 346.471 1.978 40 0 EDABMO C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)CC[N@@H+](C[C@@H]2CCOC2)C3)C1 ZINC000072335612 441229688 /nfs/dbraw/zinc/22/96/88/441229688.db2.gz JBEDGBCEBIPOIS-KBPBESRZSA-N 1 1 332.448 1.401 40 0 EDABMO O=c1cc([C@@H]2CCC[N@@H+](CC3CCCC3)C2)nc(N2CCOCC2)[nH]1 ZINC000019291978 441256453 /nfs/dbraw/zinc/25/64/53/441256453.db2.gz QYDNTRZTFNPIKF-MRXNPFEDSA-N 1 1 346.475 1.976 40 0 EDABMO C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2[C@@H]3C(=O)Nc4ccccc4C(=O)[C@]23C)C1 ZINC000019576165 441258375 /nfs/dbraw/zinc/25/83/75/441258375.db2.gz GMUNRPOIMCTCMF-OPRWKUAOSA-N 1 1 341.411 1.284 40 0 EDABMO C[N@H+]1CCC[C@H](NC(=O)[C@@H]2[C@@H]3C(=O)Nc4ccccc4C(=O)[C@]23C)C1 ZINC000019576165 441258379 /nfs/dbraw/zinc/25/83/79/441258379.db2.gz GMUNRPOIMCTCMF-OPRWKUAOSA-N 1 1 341.411 1.284 40 0 EDABMO C[C@H](Cc1ccc2c(c1)OCO2)CN1C[C@@H]2C[C@@H](O)C[N@H+]2C[C@@H]1C ZINC000019575836 441258451 /nfs/dbraw/zinc/25/84/51/441258451.db2.gz BEERMGACMMQTOF-YQFWSFKMSA-N 1 1 332.444 1.733 40 0 EDABMO C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1C[C@@H]2C[C@@H](O)CN2C[C@@H]1C ZINC000019575836 441258454 /nfs/dbraw/zinc/25/84/54/441258454.db2.gz BEERMGACMMQTOF-YQFWSFKMSA-N 1 1 332.444 1.733 40 0 EDABMO C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1C[C@@H]2C[C@@H](O)CN2C[C@@H]1C ZINC000019575836 441258457 /nfs/dbraw/zinc/25/84/57/441258457.db2.gz BEERMGACMMQTOF-YQFWSFKMSA-N 1 1 332.444 1.733 40 0 EDABMO CN1CC[NH+](CCCNC(=O)COc2ccccc2Cl)CC1 ZINC000061524198 441275070 /nfs/dbraw/zinc/27/50/70/441275070.db2.gz MFXYVRRZEDMHFR-UHFFFAOYSA-N 1 1 325.840 1.473 40 0 EDABMO CC1(C)[C@H]2CC[C@]1(C)[C@H](OC[C@H](O)CN1CC[NH+](CCO)CC1)C2 ZINC000022805041 441286168 /nfs/dbraw/zinc/28/61/68/441286168.db2.gz JQKJIGNTIRURCN-DODZYUBVSA-N 1 1 340.508 1.189 40 0 EDABMO c1cc2n(n1)C[C@H](COCc1ccccn1)C[N@H+](C[C@H]1CCOC1)C2 ZINC000107722324 441427681 /nfs/dbraw/zinc/42/76/81/441427681.db2.gz MRVOFLPJMVKBNV-IAGOWNOFSA-N 1 1 342.443 1.963 40 0 EDABMO O=C1N(Cc2ccc(F)cc2)C[C@H]2C[N@H+](C3CCOCC3)CCN12 ZINC000085436185 441440188 /nfs/dbraw/zinc/44/01/88/441440188.db2.gz UDQKLFNSOHJWTJ-QGZVFWFLSA-N 1 1 333.407 1.927 40 0 biogenic,in-vitro EDABMO Cc1ncc(C[NH+]2CCC3(CC(NS(=O)(=O)C4CC4)C3)CC2)[nH]1 ZINC000108525225 441459537 /nfs/dbraw/zinc/45/95/37/441459537.db2.gz HSYKQMJJFALXMY-UHFFFAOYSA-N 1 1 338.477 1.545 40 0 EDABMO Cc1nc(CN2C[C@]3(CC[N@H+](Cc4cnn(C)c4)C3)CC2=O)cs1 ZINC000096050903 441999826 /nfs/dbraw/zinc/99/98/26/441999826.db2.gz JHGDJCDGRPPKMC-QGZVFWFLSA-N 1 1 345.472 1.810 40 0 EDABMO O=C(C[C@@H]1COC[C@H]2C[N@@H+](Cc3nccs3)C[C@H]21)N1CCCO1 ZINC000096057305 442005244 /nfs/dbraw/zinc/00/52/44/442005244.db2.gz 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448161000 /nfs/dbraw/zinc/16/10/00/448161000.db2.gz NKMKSNSKXMBMJB-VQTJNVASSA-N 1 1 343.515 1.690 40 0 biogenic,in-vitro EDABMO CC(C)CC[N@H+]1C[C@@H]2C(=O)NC3(CCN(c4ncccn4)CC3)[C@@H]2C1 ZINC000585106055 448688280 /nfs/dbraw/zinc/68/82/80/448688280.db2.gz HYKZELXHDXOWSL-JKSUJKDBSA-N 1 1 343.475 1.540 40 0 EDABMO COCCOCC(=O)N[C@@H]1c2ccccc2[C@@H]2C[N@@H+](C(C)C)C[C@@H]21 ZINC000585109580 448690021 /nfs/dbraw/zinc/69/00/21/448690021.db2.gz BVYXACYPMOGKPJ-JENIJYKNSA-N 1 1 332.444 1.944 40 0 EDABMO CO[C@@H]1CC[N@@H+](Cc2cnc(C)nc2)C[C@H]1CC(=O)N1CCCC1 ZINC000585275386 448719381 /nfs/dbraw/zinc/71/93/81/448719381.db2.gz BEFKYHUGSGQYNE-IAGOWNOFSA-N 1 1 332.448 1.634 40 0 EDABMO CN(C)C(=O)COCC[C@H]1Cn2cccc2C[N@H+](C2CCOCC2)C1 ZINC000585095089 448677860 /nfs/dbraw/zinc/67/78/60/448677860.db2.gz DYWJUSNLFSWZKZ-INIZCTEOSA-N 1 1 349.475 1.594 40 0 EDABMO Cc1ccc(OC[C@@]2(O)C[N@@H+](CC3(O)CCCCC3)CC[C@@H]2O)cc1 ZINC000585282438 448729927 /nfs/dbraw/zinc/72/99/27/448729927.db2.gz KCEBROILLHIRFK-ICSRJNTNSA-N 1 1 349.471 1.867 40 0 EDABMO CNC(=O)[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2)CC[N@@H+](C)C1 ZINC000257261506 536398847 /nfs/dbraw/zinc/39/88/47/536398847.db2.gz LHQLLUYNTCBIOL-ZDUSSCGKSA-N 1 1 329.366 1.815 40 0 EDABMO CNC(=O)[C@H]1CN(C)CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000257261506 536398848 /nfs/dbraw/zinc/39/88/48/536398848.db2.gz LHQLLUYNTCBIOL-ZDUSSCGKSA-N 1 1 329.366 1.815 40 0 EDABMO CNC(=O)[C@H]1CN(C)CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000257261506 536398851 /nfs/dbraw/zinc/39/88/51/536398851.db2.gz LHQLLUYNTCBIOL-ZDUSSCGKSA-N 1 1 329.366 1.815 40 0 EDABMO CC(C)[N@@H+](C)[C@@H]1CN(C(=O)Cc2ccccn2)C[C@@H]2CCCO[C@H]12 ZINC000097953435 219064156 /nfs/dbraw/zinc/06/41/56/219064156.db2.gz MVJYYGWRWILGNB-WDYCEAGBSA-N 1 1 331.460 1.970 40 0 EDABMO CC(C)[C@H](c1nnnn1Cc1ccccc1)[NH+]1CCC(C(N)=O)CC1 ZINC000004399663 210187912 /nfs/dbraw/zinc/18/79/12/210187912.db2.gz JILSNLMJGBOHKY-MRXNPFEDSA-N 1 1 342.447 1.616 40 0 EDABMO CC(=O)Nc1ccc(C[NH2+]C2(Cc3cc(CO)on3)COC2)cc1 ZINC000067898082 215246049 /nfs/dbraw/zinc/24/60/49/215246049.db2.gz VCVPTCXGWHBPMX-UHFFFAOYSA-N 1 1 331.372 1.227 40 0 biogenic,in-vitro EDABMO C[N@H+]1CCCC[C@@]1(C)C(=O)N1CCC(Cn2cc(C(N)=O)cn2)CC1 ZINC000072367361 216174139 /nfs/dbraw/zinc/17/41/39/216174139.db2.gz XPCGEJMDLZDZKK-SFHVURJKSA-N 1 1 347.463 1.095 40 0 EDABMO NC(=O)C[N@@H+]1CCC[C@H](Cc2cc(Nc3ccccn3)ncn2)C1 ZINC000072383604 216184346 /nfs/dbraw/zinc/18/43/46/216184346.db2.gz GGDCRNLSUXRDBA-CYBMUJFWSA-N 1 1 326.404 1.355 40 0 EDABMO NC(=O)C[N@H+]1CCC[C@H](Cc2cc(Nc3ccccn3)ncn2)C1 ZINC000072383604 216184348 /nfs/dbraw/zinc/18/43/48/216184348.db2.gz GGDCRNLSUXRDBA-CYBMUJFWSA-N 1 1 326.404 1.355 40 0 EDABMO CC(C)CCOC[C@H](O)C[NH2+]CCNC[C@H](O)COCCC(C)C ZINC000023477110 212377973 /nfs/dbraw/zinc/37/79/73/212377973.db2.gz OXAYASBURPDVLO-HDICACEKSA-N 1 1 348.528 1.013 40 0 EDABMO CCOC[C@]1([NH3+])[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)CC ZINC000218149553 241301986 /nfs/dbraw/zinc/30/19/86/241301986.db2.gz QMVAOSZZTJCWOU-ILXRZTDVSA-N 1 1 327.402 1.050 40 0 EDABMO Cc1ncc(CNC(=O)Cc2cccnc2)c([C@@H]2CCC[N@@H+]2C)n1 ZINC000257216666 244170633 /nfs/dbraw/zinc/17/06/33/244170633.db2.gz CVPKWZORBQEKEC-INIZCTEOSA-N 1 1 325.416 1.806 40 0 EDABMO CCc1[nH+]ccn1CC(=O)N1CCO[C@@H](CCc2cc(C)ncn2)C1 ZINC000257219163 244177687 /nfs/dbraw/zinc/17/76/87/244177687.db2.gz DFVMRGYHZYACGV-INIZCTEOSA-N 1 1 343.431 1.404 40 0 EDABMO CN(C)C(=O)[C@@H]1CN(C)CC[N@@H+](Cc2ccnc3ccccc23)C1 ZINC000257247606 244260719 /nfs/dbraw/zinc/26/07/19/244260719.db2.gz IZRIRHHZJCEDII-MRXNPFEDSA-N 1 1 326.444 1.687 40 0 EDABMO CN(C)C(=O)[C@H]1CN(Cc2ccnc3ccccc23)CC[N@H+](C)C1 ZINC000257247606 244260725 /nfs/dbraw/zinc/26/07/25/244260725.db2.gz IZRIRHHZJCEDII-MRXNPFEDSA-N 1 1 326.444 1.687 40 0 EDABMO CN(C)C(=O)[C@H]1CN(Cc2ccnc3ccccc23)CC[N@@H+](C)C1 ZINC000257247606 244260729 /nfs/dbraw/zinc/26/07/29/244260729.db2.gz IZRIRHHZJCEDII-MRXNPFEDSA-N 1 1 326.444 1.687 40 0 EDABMO O=C(c1cccc(F)c1)N1C[C@@H](O)[C@H]([NH+]2CCC(F)(F)CC2)C1 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Cc1ccsc1C[N@@H+]1C[C@@H]2COC[C@]2(COCC(=O)N(C)C)C1 ZINC000096108706 442033519 /nfs/dbraw/zinc/03/35/19/442033519.db2.gz LULNIIOWRWAMGF-PBHICJAKSA-N 1 1 338.473 1.610 40 0 EDABMO O=C(NC[C@]12COC[C@H]1C[N@@H+](Cc1ccco1)C2)c1cccnc1 ZINC000096108504 442033584 /nfs/dbraw/zinc/03/35/84/442033584.db2.gz HTLISDDATYXPMJ-QAPCUYQASA-N 1 1 327.384 1.553 40 0 EDABMO CN(C)C(=O)COC[C@@]12CCO[C@@H]1CC[N@H+](Cc1nccs1)C2 ZINC000096111166 442036054 /nfs/dbraw/zinc/03/60/54/442036054.db2.gz OQRNOAJPDQMFOD-CJNGLKHVSA-N 1 1 339.461 1.229 40 0 EDABMO CN(C)C(=O)COC[C@@]12CCO[C@@H]1CC[N@@H+](Cc1nccs1)C2 ZINC000096111166 442036056 /nfs/dbraw/zinc/03/60/56/442036056.db2.gz OQRNOAJPDQMFOD-CJNGLKHVSA-N 1 1 339.461 1.229 40 0 EDABMO O=C(NCC[NH+]1CCCC1)[C@@H]1C[C@H]2[C@H](CCN2Cc2cccnc2)O1 ZINC000096186578 442062916 /nfs/dbraw/zinc/06/29/16/442062916.db2.gz UTGGNRWBCUHFTA-BZSNNMDCSA-N 1 1 344.459 1.025 40 0 EDABMO O=C([C@H]1Cn2nccc2C[N@H+](Cc2ccsc2)C1)N1CCOCC1 ZINC000096188813 442066373 /nfs/dbraw/zinc/06/63/73/442066373.db2.gz JPQVTEUTEOBQGM-OAHLLOKOSA-N 1 1 346.456 1.435 40 0 EDABMO O=C([C@H]1Cn2nccc2C[N@@H+](Cc2ccsc2)C1)N1CCOCC1 ZINC000096188813 442066377 /nfs/dbraw/zinc/06/63/77/442066377.db2.gz JPQVTEUTEOBQGM-OAHLLOKOSA-N 1 1 346.456 1.435 40 0 EDABMO COCCNC(=O)[C@H]1Cn2nccc2C[N@H+](Cc2cccs2)C1 ZINC000096188785 442066996 /nfs/dbraw/zinc/06/69/96/442066996.db2.gz MSJOVWDTYKIBMH-CYBMUJFWSA-N 1 1 334.445 1.339 40 0 EDABMO COCCNC(=O)[C@H]1Cn2nccc2C[N@@H+](Cc2cccs2)C1 ZINC000096188785 442067001 /nfs/dbraw/zinc/06/70/01/442067001.db2.gz MSJOVWDTYKIBMH-CYBMUJFWSA-N 1 1 334.445 1.339 40 0 EDABMO Cc1cccc(CN2CCO[C@@]3(CCC[N@@H+](CC(=O)N(C)C)C3)C2)n1 ZINC000096226761 442095451 /nfs/dbraw/zinc/09/54/51/442095451.db2.gz IOGUMMJLJXEKKF-LJQANCHMSA-N 1 1 346.475 1.145 40 0 EDABMO Cc1cccc(CN2CCO[C@@]3(CCC[N@H+](CC(=O)N(C)C)C3)C2)n1 ZINC000096226761 442095453 /nfs/dbraw/zinc/09/54/53/442095453.db2.gz IOGUMMJLJXEKKF-LJQANCHMSA-N 1 1 346.475 1.145 40 0 EDABMO CS(=O)(=O)N[C@@H]1CC[N@H+](Cc2cccnc2)[C@H]1Cc1cccnc1 ZINC000096200877 442075099 /nfs/dbraw/zinc/07/50/99/442075099.db2.gz INVQLAMWUVYGLD-SJORKVTESA-N 1 1 346.456 1.211 40 0 EDABMO CS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2cccnc2)[C@H]1Cc1cccnc1 ZINC000096200877 442075105 /nfs/dbraw/zinc/07/51/05/442075105.db2.gz INVQLAMWUVYGLD-SJORKVTESA-N 1 1 346.456 1.211 40 0 EDABMO Cn1ccnc1C[N@H+]1CC[C@@H](N2CCOCC2)[C@@H]1Cc1ccccc1 ZINC000096200809 442075721 /nfs/dbraw/zinc/07/57/21/442075721.db2.gz YPBVAZZOWYEWSE-MOPGFXCFSA-N 1 1 340.471 1.938 40 0 EDABMO Cn1cc(C[C@H]2[C@H](N3CCOCC3)CC[N@H+]2Cc2ccco2)cn1 ZINC000096200950 442075929 /nfs/dbraw/zinc/07/59/29/442075929.db2.gz AHVJGYTYBYMGCA-MSOLQXFVSA-N 1 1 330.432 1.531 40 0 EDABMO COCC[N@H+]1CC[C@@]2(C1)COCCN(Cc1cccnc1OC)C2 ZINC000096201984 442077448 /nfs/dbraw/zinc/07/74/48/442077448.db2.gz PCXQCTNZODVUKN-SFHVURJKSA-N 1 1 335.448 1.261 40 0 EDABMO Nc1[nH]nc2nc([C@H]3CCCN(C(=O)C4CC[NH2+]CC4)C3)ccc12 ZINC000257287780 443132991 /nfs/dbraw/zinc/13/29/91/443132991.db2.gz PRMRIOQWELGKCL-LBPRGKRZSA-N 1 1 328.420 1.246 40 0 EDABMO CNC(=O)c1cccc([C@@H]2C[N@@H+](CC3CCOCC3)CCN2C)c1 ZINC000257299969 443137381 /nfs/dbraw/zinc/13/73/81/443137381.db2.gz RSIWFUORFBSUNF-SFHVURJKSA-N 1 1 331.460 1.761 40 0 EDABMO CN(c1cnccn1)[C@@H]1CC[C@@H]2C[N@@H+](CC(=O)N3CCCCC3)C[C@H]12 ZINC000257266109 443126543 /nfs/dbraw/zinc/12/65/43/443126543.db2.gz MBPYLWCXQWKMIF-IXDOHACOSA-N 1 1 343.475 1.636 40 0 EDABMO O=C(CCc1cccs1)N[C@@H]1CCC[C@@H]([NH+]2CCOCC2)[C@@H]1O ZINC000257333342 443151769 /nfs/dbraw/zinc/15/17/69/443151769.db2.gz YBEOQRPUOJZXKP-BFYDXBDKSA-N 1 1 338.473 1.411 40 0 EDABMO CN(C)c1cc(CC[C@@H]2CN(C(=O)c3ccon3)CCO2)cc[nH+]1 ZINC000257335616 443153453 /nfs/dbraw/zinc/15/34/53/443153453.db2.gz YLBSHVSYALPXLD-CQSZACIVSA-N 1 1 330.388 1.609 40 0 EDABMO O=C(NCC[C@@H]1C[N@@H+](CC2CCC2)Cc2ccnn21)c1cnccn1 ZINC000306140058 444287180 /nfs/dbraw/zinc/28/71/80/444287180.db2.gz UIJZAOWNMCLHIS-OAHLLOKOSA-N 1 1 340.431 1.650 40 0 EDABMO C[NH+](C)CCCNc1nc(NCCc2ccncc2)cc(C2CC2)n1 ZINC000329039592 444454100 /nfs/dbraw/zinc/45/41/00/444454100.db2.gz RXOAYBREGSAZPF-UHFFFAOYSA-N 1 1 340.475 1.611 40 0 EDABMO Cc1nc(N(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cc2nncn21 ZINC000413239244 447086777 /nfs/dbraw/zinc/08/67/77/447086777.db2.gz MMZZFRRYSSVKBK-YJBOKZPZSA-N 1 1 337.431 1.957 40 0 EDABMO CC(C)CC[N@H+]1C[C@@H]2C(=O)NC3(CCN(c4ncccn4)CC3)[C@H]2C1 ZINC000585106053 448688293 /nfs/dbraw/zinc/68/82/93/448688293.db2.gz HYKZELXHDXOWSL-HOTGVXAUSA-N 1 1 343.475 1.540 40 0 EDABMO Cc1nc(C[NH+]2C[C@H]3CN(C(=O)c4ccnn4C)C[C@@H]3C2)cs1 ZINC000585107604 448688380 /nfs/dbraw/zinc/68/83/80/448688380.db2.gz OWGYRMUPUWZVNV-STQMWFEESA-N 1 1 331.445 1.389 40 0 EDABMO CNc1ncc(C[N@@H+]2CC[C@](COc3cccc(F)c3)(OC)C2)cn1 ZINC000585275402 448719207 /nfs/dbraw/zinc/71/92/07/448719207.db2.gz BGWDOVDHVPDBDS-SFHVURJKSA-N 1 1 346.406 2.327 40 0 EDABMO CNc1ncc(C[N@H+]2CC[C@](COc3cccc(F)c3)(OC)C2)cn1 ZINC000585275402 448719211 /nfs/dbraw/zinc/71/92/11/448719211.db2.gz BGWDOVDHVPDBDS-SFHVURJKSA-N 1 1 346.406 2.327 40 0 EDABMO CNC(=O)C[C@@]1(OC)COCC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000585279507 448728135 /nfs/dbraw/zinc/72/81/35/448728135.db2.gz NHXTWXQOCGHPKF-SFHVURJKSA-N 1 1 331.416 1.521 40 0 EDABMO CCN1CCC([N@@H+]2CCOC[C@](O)(COc3ccccc3C)C2)CC1 ZINC000585279338 448728359 /nfs/dbraw/zinc/72/83/59/448728359.db2.gz YDZJOHXWFNDSNU-FQEVSTJZSA-N 1 1 348.487 1.921 40 0 EDABMO CCN1CCC([N@H+]2CCOC[C@](O)(COc3ccccc3C)C2)CC1 ZINC000585279338 448728363 /nfs/dbraw/zinc/72/83/63/448728363.db2.gz YDZJOHXWFNDSNU-FQEVSTJZSA-N 1 1 348.487 1.921 40 0 EDABMO Cc1cccc(C[N@H+]2C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCCC3)C2)n1 ZINC000097953631 219064613 /nfs/dbraw/zinc/06/46/13/219064613.db2.gz AVIXKMCOEHUROG-OKZBNKHCSA-N 1 1 329.444 1.849 40 0 EDABMO NC(=O)[C@@]1(CCCc2ccncc2)CCC[N@@H+](Cc2ncc[nH]2)C1 ZINC000072367220 216172429 /nfs/dbraw/zinc/17/24/29/216172429.db2.gz WREMWZQUPMNIMU-SFHVURJKSA-N 1 1 327.432 1.895 40 0 EDABMO Cc1[nH+]ccn1CCN(C)c1cc([C@H]2CN(C)CCO2)nc(C)n1 ZINC000072387092 216185181 /nfs/dbraw/zinc/18/51/81/216185181.db2.gz OGIMUSKPYRMJLE-MRXNPFEDSA-N 1 1 330.436 1.429 40 0 EDABMO COCCNc1ccc(C[C@H]2CCC[N@H+](C3CCOCC3)C2)nn1 ZINC000072387298 216186909 /nfs/dbraw/zinc/18/69/09/216186909.db2.gz DUDFRJKNGBGPLF-OAHLLOKOSA-N 1 1 334.464 1.968 40 0 EDABMO Cc1ccc(OCCCC(=O)NCCC[NH+]2CCN(C)CC2)cc1 ZINC000022829978 212326549 /nfs/dbraw/zinc/32/65/49/212326549.db2.gz VWTWWMADPIXRHK-UHFFFAOYSA-N 1 1 333.476 1.908 40 0 EDABMO COc1ccccc1N1C(=O)C[C@H]([N@@H+]2CCCC[C@@H]2CCO)C1=O ZINC000022241510 212284918 /nfs/dbraw/zinc/28/49/18/212284918.db2.gz POHZAGRWQWNMLR-HIFRSBDPSA-N 1 1 332.400 1.564 40 0 EDABMO COc1ccccc1N1C(=O)C[C@H]([N@H+]2CCCC[C@@H]2CCO)C1=O ZINC000022241510 212284921 /nfs/dbraw/zinc/28/49/21/212284921.db2.gz POHZAGRWQWNMLR-HIFRSBDPSA-N 1 1 332.400 1.564 40 0 EDABMO Cc1cc(C)n(CC(=O)NCc2cnc(C)nc2[C@@H]2CCC[N@@H+]2C)n1 ZINC000257239059 244238807 /nfs/dbraw/zinc/23/88/07/244238807.db2.gz 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C[C@@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1C[C@@H]2C[C@@H](O)CN2C[C@@H]1C ZINC000019575838 212045666 /nfs/dbraw/zinc/04/56/66/212045666.db2.gz BEERMGACMMQTOF-NXNVCVFFSA-N 1 1 332.444 1.733 40 0 EDABMO C[C@@H](Cc1ccc2c(c1)OCO2)C[N@H+]1C[C@@H]2C[C@@H](O)CN2C[C@@H]1C ZINC000019575838 212045668 /nfs/dbraw/zinc/04/56/68/212045668.db2.gz BEERMGACMMQTOF-NXNVCVFFSA-N 1 1 332.444 1.733 40 0 EDABMO Cc1c(C[N@H+]2CCC[C@H](c3cc(C(=O)NC4CC4)on3)C2)cnn1C ZINC000019553663 212041643 /nfs/dbraw/zinc/04/16/43/212041643.db2.gz WBVVIENSVXNXMB-ZDUSSCGKSA-N 1 1 343.431 1.988 40 0 EDABMO C[NH+]1CCN([C@H](c2nnnn2C(C)(C)C)c2ccc(O)cc2)CC1 ZINC000035311168 290056191 /nfs/dbraw/zinc/05/61/91/290056191.db2.gz GPWYZCFQOGCOMM-HNNXBMFYSA-N 1 1 330.436 1.471 40 0 EDABMO CC(C)c1ccc(OCC(=O)NCCC[NH+]2CCN(C)CC2)cc1 ZINC000061524894 441275568 /nfs/dbraw/zinc/27/55/68/441275568.db2.gz ZUNLAFOTEHVSPZ-UHFFFAOYSA-N 1 1 333.476 1.943 40 0 EDABMO Cc1ccc(Cc2c(C)nc(N3CC[NH+](CCO)CC3)[nH]c2=O)cc1 ZINC000024252098 441307247 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345.472 1.851 40 0 EDABMO Cc1noc(C)c1C[N@H+]1CCC[C@@]2(CN(C(=O)C3CC3)CCO2)C1 ZINC000096226725 442095191 /nfs/dbraw/zinc/09/51/91/442095191.db2.gz AQCKMOIDKXGPBO-SFHVURJKSA-N 1 1 333.432 1.895 40 0 EDABMO Cn1cc(C[C@H]2[C@H](OCC3CC3)CC[N@@H+]2Cc2nccn2C)cn1 ZINC000096200251 442074409 /nfs/dbraw/zinc/07/44/09/442074409.db2.gz NTHMIQSAEITPNM-DLBZAZTESA-N 1 1 329.448 1.766 40 0 EDABMO Cn1cc(C[C@H]2[C@H](OCC3CC3)CC[N@H+]2Cc2nccn2C)cn1 ZINC000096200251 442074416 /nfs/dbraw/zinc/07/44/16/442074416.db2.gz NTHMIQSAEITPNM-DLBZAZTESA-N 1 1 329.448 1.766 40 0 EDABMO O=C(c1ccoc1)N1CCOC[C@@]2(CC[N@H+](C3CCOCC3)C2)C1 ZINC000096202052 442077367 /nfs/dbraw/zinc/07/73/67/442077367.db2.gz IGLHBNJWADKGEM-GOSISDBHSA-N 1 1 334.416 1.623 40 0 EDABMO CS(=O)(=O)NC[C@@H]1CCC[C@]2(CC[N@@H+](Cc3ccco3)C2)O1 ZINC000096206483 442080161 /nfs/dbraw/zinc/08/01/61/442080161.db2.gz XBNWROZHWJWTAX-DZGCQCFKSA-N 1 1 328.434 1.342 40 0 EDABMO O=C(C[C@H]1OC[C@H]2C[N@@H+](Cc3ccccn3)CC[C@H]21)N1CCCO1 ZINC000096207028 442080244 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Cc1nn(CCC(=O)NCC2(N(C)C)CC[NH+](C)CC2)c(C)c1C ZINC000036740678 441609736 /nfs/dbraw/zinc/60/97/36/441609736.db2.gz FGYLGARGVXTDAY-UHFFFAOYSA-N 1 1 335.496 1.341 40 0 EDABMO COCCNC(=O)[C@@H]1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000096043427 441993018 /nfs/dbraw/zinc/99/30/18/441993018.db2.gz UIMOTVTYLQKQFD-KZNAEPCWSA-N 1 1 332.444 1.676 40 0 EDABMO O=C(c1cnccn1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccn1)C2 ZINC000096046962 441995450 /nfs/dbraw/zinc/99/54/50/441995450.db2.gz XAYGPAVNVYDOBH-LJQANCHMSA-N 1 1 337.427 2.000 40 0 EDABMO CC(C)NC(=O)N1CC[N@H+](Cc2ccoc2)C[C@@]2(CNC(=O)C2)C1 ZINC000096035986 441983871 /nfs/dbraw/zinc/98/38/71/441983871.db2.gz FBWSMPJJELVLMO-QGZVFWFLSA-N 1 1 334.420 1.022 40 0 EDABMO CC(C)NC(=O)N1CC[N@@H+](Cc2ccoc2)C[C@@]2(CNC(=O)C2)C1 ZINC000096035986 441983875 /nfs/dbraw/zinc/98/38/75/441983875.db2.gz FBWSMPJJELVLMO-QGZVFWFLSA-N 1 1 334.420 1.022 40 0 EDABMO CC(C)C(=O)N1CC[N@H+](Cc2ccoc2)C[C@@]2(CC(=O)N(C)C2)C1 ZINC000096036049 441984219 /nfs/dbraw/zinc/98/42/19/441984219.db2.gz NQHVDZYTGACZPV-SFHVURJKSA-N 1 1 333.432 1.428 40 0 EDABMO CC(C)C(=O)N1CC[N@@H+](Cc2ccoc2)C[C@@]2(CC(=O)N(C)C2)C1 ZINC000096036049 441984223 /nfs/dbraw/zinc/98/42/23/441984223.db2.gz NQHVDZYTGACZPV-SFHVURJKSA-N 1 1 333.432 1.428 40 0 EDABMO Cc1ncsc1C[N@@H+]1CC[C@H]2C[C@@H](C(=O)NCC3CC3)O[C@@H]2C1 ZINC000096042902 441990611 /nfs/dbraw/zinc/99/06/11/441990611.db2.gz DFFINLXUPLDUMK-SOUVJXGZSA-N 1 1 335.473 1.957 40 0 EDABMO Cc1ncsc1C[N@H+]1CC[C@H]2C[C@@H](C(=O)NCC3CC3)O[C@@H]2C1 ZINC000096042902 441990617 /nfs/dbraw/zinc/99/06/17/441990617.db2.gz DFFINLXUPLDUMK-SOUVJXGZSA-N 1 1 335.473 1.957 40 0 EDABMO O=C([C@H]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccsc2)O1)N1CCOCC1 ZINC000096057491 442005805 /nfs/dbraw/zinc/00/58/05/442005805.db2.gz TYOYORCHEULKFS-BZUAXINKSA-N 1 1 336.457 1.729 40 0 EDABMO O=C(N1CCCC1)N1CCOC[C@]2(CC[N@H+](C3CCOCC3)C2)C1 ZINC000096062346 442009211 /nfs/dbraw/zinc/00/92/11/442009211.db2.gz SOHZMHZMLUBRGI-SFHVURJKSA-N 1 1 337.464 1.406 40 0 EDABMO COc1ncccc1C[N@@H+]1CC[C@H]2[C@@H]1CCC(=O)N2c1cnn(C)c1 ZINC000096064728 442012081 /nfs/dbraw/zinc/01/20/81/442012081.db2.gz YHPPEDWIPAPREW-HOTGVXAUSA-N 1 1 341.415 1.594 40 0 EDABMO COc1ncccc1C[N@H+]1CC[C@H]2[C@@H]1CCC(=O)N2c1cnn(C)c1 ZINC000096064728 442012084 /nfs/dbraw/zinc/01/20/84/442012084.db2.gz YHPPEDWIPAPREW-HOTGVXAUSA-N 1 1 341.415 1.594 40 0 EDABMO Cc1ccsc1C[N@@H+]1CC[C@]2(C[C@H](OCC(=O)N(C)C)CO2)C1 ZINC000096107588 442030971 /nfs/dbraw/zinc/03/09/71/442030971.db2.gz JIPKXAKLEYEEBN-YOEHRIQHSA-N 1 1 338.473 1.895 40 0 EDABMO O=C(NC[C@]12COC[C@H]1C[N@@H+](Cc1cccnc1)C2)c1ccco1 ZINC000096108451 442032319 /nfs/dbraw/zinc/03/23/19/442032319.db2.gz LQXUVLPLUSFYEH-QAPCUYQASA-N 1 1 327.384 1.553 40 0 EDABMO O=C(NCC1CC1)[C@H]1C[C@H]2[C@H](CC[N@H+]2Cc2ccc3c(c2)OCO3)O1 ZINC000096183599 442057299 /nfs/dbraw/zinc/05/72/99/442057299.db2.gz DVTAEUZMCDBFOO-RLFYNMQTSA-N 1 1 344.411 1.673 40 0 EDABMO CN(Cc1cn2c(n1)C[N@@H+](C[C@@H]1CCOC1)CC2)Cc1ccco1 ZINC000096197475 442072258 /nfs/dbraw/zinc/07/22/58/442072258.db2.gz RSMDXPSXKDHCJZ-HNNXBMFYSA-N 1 1 330.432 1.960 40 0 EDABMO CN(Cc1cn2c(n1)C[N@H+](C[C@@H]1CCOC1)CC2)Cc1ccco1 ZINC000096197475 442072261 /nfs/dbraw/zinc/07/22/61/442072261.db2.gz RSMDXPSXKDHCJZ-HNNXBMFYSA-N 1 1 330.432 1.960 40 0 EDABMO CCS(=O)(=O)N1CCOC[C@@]2(CC[N@@H+](Cc3cccs3)C2)C1 ZINC000096202192 442078300 /nfs/dbraw/zinc/07/83/00/442078300.db2.gz ITZLQYQWECGLJZ-OAHLLOKOSA-N 1 1 344.502 1.622 40 0 EDABMO CN(C)S(=O)(=O)N1CCC2(C[C@@H](COCC3CC3)[N@@H+](C)C2)CC1 ZINC000096207878 442081873 /nfs/dbraw/zinc/08/18/73/442081873.db2.gz BVOHDPJCHBKYRC-HNNXBMFYSA-N 1 1 345.509 1.006 40 0 EDABMO CC[N@H+]1C[C@H](COCC2CC2)[C@]2(CCN(C(=O)c3ccn(C)n3)C2)C1 ZINC000096209762 442085751 /nfs/dbraw/zinc/08/57/51/442085751.db2.gz MBLDVDLWEYABPR-VQIMIIECSA-N 1 1 346.475 1.631 40 0 EDABMO COCC(=O)N1CC[C@]2(C1)C[N@@H+](C)C[C@H]2COCc1cccnc1 ZINC000096217466 442088462 /nfs/dbraw/zinc/08/84/62/442088462.db2.gz OBGFPAMXUIUJLK-FUHWJXTLSA-N 1 1 333.432 1.025 40 0 EDABMO CC(C)[N@@H+](C)C[C@@H]1CO[C@]2(C1)COCCN(C(=O)c1cnccn1)C2 ZINC000096240646 442100274 /nfs/dbraw/zinc/10/02/74/442100274.db2.gz SUVNAWMOZBYGCA-QAPCUYQASA-N 1 1 348.447 1.065 40 0 EDABMO Cc1cccc(C[N@@H+]2C[C@@H]3CCN(c4cnn(C)c4)C(=O)[C@@H]3C2)n1 ZINC000096249159 442101297 /nfs/dbraw/zinc/10/12/97/442101297.db2.gz SBLOFDLAPSCSAR-WMLDXEAASA-N 1 1 325.416 1.608 40 0 EDABMO CS(=O)(=O)NC[C@@H]1CO[C@@H]2C[N@@H+](Cc3cccc4[nH]ccc43)C[C@H]12 ZINC000247502075 442858108 /nfs/dbraw/zinc/85/81/08/442858108.db2.gz FTLLIAVMTYZRIY-FRFSOERESA-N 1 1 349.456 1.164 40 0 EDABMO C[N@@H+]1CC[C@@H](COCC2CC2)CC12CN(C(=O)c1ccnnc1)C2 ZINC000248090441 442881708 /nfs/dbraw/zinc/88/17/08/442881708.db2.gz CBUCETHIJRGTTC-OAHLLOKOSA-N 1 1 330.432 1.440 40 0 EDABMO C[N@H+]1CC[C@@H](COCC2CC2)CC12CN(C(=O)c1ccnnc1)C2 ZINC000248090441 442881710 /nfs/dbraw/zinc/88/17/10/442881710.db2.gz CBUCETHIJRGTTC-OAHLLOKOSA-N 1 1 330.432 1.440 40 0 EDABMO CN(C)C(=O)C[N@@H+]1CCC[C@H]1c1ccnc(Nc2ncccn2)c1 ZINC000257303308 443138798 /nfs/dbraw/zinc/13/87/98/443138798.db2.gz SGRDFPVWLDLBKW-AWEZNQCLSA-N 1 1 326.404 1.840 40 0 EDABMO CN(C)C(=O)C[N@H+]1CCC[C@H]1c1ccnc(Nc2ncccn2)c1 ZINC000257303308 443138801 /nfs/dbraw/zinc/13/88/01/443138801.db2.gz SGRDFPVWLDLBKW-AWEZNQCLSA-N 1 1 326.404 1.840 40 0 EDABMO Cc1cnccc1C[N@H+]1CC[C@H](n2cc(C)c(=O)[nH]c2=O)[C@@](C)(O)C1 ZINC000257262116 443126614 /nfs/dbraw/zinc/12/66/14/443126614.db2.gz LKCRRCPOWLPTIZ-YJBOKZPZSA-N 1 1 344.415 1.159 40 0 EDABMO CC1(C)Oc2c(O)cccc2[C@H]2O[C@H]3CC[N@@H+](CC(N)=O)C[C@@H]3C[C@@H]21 ZINC000257341070 443155371 /nfs/dbraw/zinc/15/53/71/443155371.db2.gz ZISLODXCEOXXER-MOWSHJCCSA-N 1 1 346.427 1.817 40 0 EDABMO CCC[N@@H+]1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2NC(=O)c1cccs1 ZINC000306123220 444284699 /nfs/dbraw/zinc/28/46/99/444284699.db2.gz AHOCAHIUZXIUKU-YRGRVCCFSA-N 1 1 342.486 1.375 40 0 EDABMO CCC[N@H+]1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2NC(=O)c1cccs1 ZINC000306123220 444284702 /nfs/dbraw/zinc/28/47/02/444284702.db2.gz AHOCAHIUZXIUKU-YRGRVCCFSA-N 1 1 342.486 1.375 40 0 EDABMO CCNC(=O)c1nnc2n1C[C@H]1C[N@H+](Cc3ccc(F)cc3)C[C@H]1C2 ZINC000306135891 444286783 /nfs/dbraw/zinc/28/67/83/444286783.db2.gz PDWBXKYTNXYWDK-ZIAGYGMSSA-N 1 1 343.406 1.471 40 0 EDABMO CC(C)C[N@H+]1C[C@H]2C[C@@H](O)CN2C2(CN(Cc3cccnc3)C2)C1 ZINC000514289504 448160071 /nfs/dbraw/zinc/16/00/71/448160071.db2.gz MTPVTDJCCWAEDM-QZTJIDSGSA-N 1 1 330.476 1.043 40 0 biogenic,in-vitro EDABMO O=C(c1ccccc1)N1CCC2(CO[C@H](C[N@@H+]3CC[C@H](O)C3)C2)CC1 ZINC000585103125 448686813 /nfs/dbraw/zinc/68/68/13/448686813.db2.gz DJOFRACYYHXCQL-ROUUACIJSA-N 1 1 344.455 1.765 40 0 EDABMO CC(=O)N1CCC([N@H+]2CC[C@@](O)(COc3cccc(C)c3)C2)CC1 ZINC000585269417 448716990 /nfs/dbraw/zinc/71/69/90/448716990.db2.gz SRFFNKOWZUHBBF-IBGZPJMESA-N 1 1 332.444 1.822 40 0 EDABMO CCc1[nH+]ccn1CC(=O)N1CC[C@](O)(COc2ccccc2C)C1 ZINC000585275644 448720561 /nfs/dbraw/zinc/72/05/61/448720561.db2.gz FMKWYFAVYNYUQO-LJQANCHMSA-N 1 1 343.427 1.796 40 0 EDABMO Cc1[nH+]ccn1CC(=O)N1CC[C@@](O)(COc2ccccc2C)C1 ZINC000585276939 448723325 /nfs/dbraw/zinc/72/33/25/448723325.db2.gz KSGMONIIJBKUGQ-SFHVURJKSA-N 1 1 329.400 1.542 40 0 EDABMO Cc1n[nH]cc1C[N@@H+]1CCOC[C@@](O)(COc2cccc(C)c2)C1 ZINC000585277748 448725131 /nfs/dbraw/zinc/72/51/31/448725131.db2.gz XNOVUEMDJVRWJG-GOSISDBHSA-N 1 1 331.416 1.669 40 0 EDABMO Cc1n[nH]cc1C[N@H+]1CCOC[C@@](O)(COc2cccc(C)c2)C1 ZINC000585277748 448725135 /nfs/dbraw/zinc/72/51/35/448725135.db2.gz XNOVUEMDJVRWJG-GOSISDBHSA-N 1 1 331.416 1.669 40 0 EDABMO O[C@H]1CC[N@H+](C2CCOCC2)C[C@]1(O)COc1cccc(F)c1F ZINC000585288120 448733199 /nfs/dbraw/zinc/73/31/99/448733199.db2.gz WSAKMAHDLNWSIL-RDJZCZTQSA-N 1 1 343.370 1.320 40 0 EDABMO CNC(=O)[C@@H]1C[NH2+]CCN1C(=O)c1cccc(Oc2ccccc2)c1 ZINC000257264291 536369453 /nfs/dbraw/zinc/36/94/53/536369453.db2.gz LTTKVJDJMAYMEK-KRWDZBQOSA-N 1 1 339.395 1.639 40 0 EDABMO C[N@@H+]1CCN(C(=O)CCCc2c[nH]c3ccccc23)[C@H](C(N)=O)C1 ZINC000257204711 536401430 /nfs/dbraw/zinc/40/14/30/536401430.db2.gz AVYXKXQVWMFYPE-INIZCTEOSA-N 1 1 328.416 1.119 40 0 EDABMO C[N@H+]1CCN(C(=O)CCCc2c[nH]c3ccccc23)[C@H](C(N)=O)C1 ZINC000257204711 536401433 /nfs/dbraw/zinc/40/14/33/536401433.db2.gz AVYXKXQVWMFYPE-INIZCTEOSA-N 1 1 328.416 1.119 40 0 EDABMO CC[NH+]1CCN(C(=O)CCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000023247109 212363400 /nfs/dbraw/zinc/36/34/00/212363400.db2.gz PQPTYOJEYNCKGC-UHFFFAOYSA-N 1 1 329.400 1.227 40 0 EDABMO Cc1ccc(N2C(=O)C[C@@H]([NH+]3CCC4(CC3)OCCO4)C2=O)cc1C ZINC000020634495 212158104 /nfs/dbraw/zinc/15/81/04/212158104.db2.gz QCPBSWBAASZXIL-MRXNPFEDSA-N 1 1 344.411 1.774 40 0 EDABMO c1cc2n(n1)C[C@@H](COCc1ccccn1)C[N@@H+]([C@@H]1CCOC1)C2 ZINC000253588592 244026096 /nfs/dbraw/zinc/02/60/96/244026096.db2.gz JJANFKZRZLXKJJ-MAUKXSAKSA-N 1 1 328.416 1.716 40 0 EDABMO O=C(c1cnco1)N1CC[C@](O)(C[N@H+]2CCc3ccccc3C2)C1 ZINC000257205802 244133832 /nfs/dbraw/zinc/13/38/32/244133832.db2.gz BAPJSBXCOCEHEL-SFHVURJKSA-N 1 1 327.384 1.310 40 0 EDABMO Cc1nccnc1CC[C@H]1COCCN1C(=O)C[N@H+](C)C1CCCC1 ZINC000257236247 244230230 /nfs/dbraw/zinc/23/02/30/244230230.db2.gz HBIOMCMVORZLPO-KRWDZBQOSA-N 1 1 346.475 1.819 40 0 EDABMO Cc1[nH+]ccn1CCC(=O)N1CC[C@H](C(=O)N2CCCCCC2)C1 ZINC000019745476 212060267 /nfs/dbraw/zinc/06/02/67/212060267.db2.gz ABDOLCBBOWQWIY-INIZCTEOSA-N 1 1 332.448 1.833 40 0 EDABMO Cc1[nH+]ccn1CCNC(=O)[C@H]1ON=C(c2ccc(F)cc2)[C@@H]1C ZINC000012116877 211296673 /nfs/dbraw/zinc/29/66/73/211296673.db2.gz ROVSJIPBIDNVTN-ZBEGNZNMSA-N 1 1 330.363 1.886 40 0 EDABMO CSCC(=O)N1CC2(C1)C[C@@H](COCc1ccncc1)CC[N@@H+]2C ZINC000306143619 257925307 /nfs/dbraw/zinc/92/53/07/257925307.db2.gz YGXLLCKGSUGIKP-INIZCTEOSA-N 1 1 349.500 1.884 40 0 EDABMO CSCC(=O)N1CC2(C1)C[C@@H](COCc1ccncc1)CC[N@H+]2C ZINC000306143619 257925308 /nfs/dbraw/zinc/92/53/08/257925308.db2.gz YGXLLCKGSUGIKP-INIZCTEOSA-N 1 1 349.500 1.884 40 0 EDABMO CC(=O)NCc1cncc([C@@H]2CCC[N@H+]2C2CCN(C(C)=O)CC2)n1 ZINC000257250327 278125083 /nfs/dbraw/zinc/12/50/83/278125083.db2.gz JMBWDLWUQMNWEB-SFHVURJKSA-N 1 1 345.447 1.261 40 0 EDABMO CC(C)(C)[NH2+]C[C@@H](O)COc1ccccc1-c1ccc(NN)nn1 ZINC000000000658 440794392 /nfs/dbraw/zinc/79/43/92/440794392.db2.gz QGONODUKOFNSOY-GFCCVEGCSA-N 1 1 331.420 1.557 40 0 in-man EDABMO CC(=O)NCCn1nc([C@H]2CC[N@@H+](CC3CC3)C2)c2nccnc21 ZINC000019021543 441253148 /nfs/dbraw/zinc/25/31/48/441253148.db2.gz OCUZVIRJTNUAQJ-AWEZNQCLSA-N 1 1 328.420 1.162 40 0 EDABMO Cc1cc(CN2C[C@H]3C[C@@H](O)C[N@@H+]3C[C@H]2C)c(C)n1C[C@@H]1CCCO1 ZINC000019567488 441257885 /nfs/dbraw/zinc/25/78/85/441257885.db2.gz IZBVKXPGWYFINJ-XLNTUCKNSA-N 1 1 347.503 1.923 40 0 EDABMO Cc1cccc(C[N@@H+]2C[C@@H](N3CCCC3=O)[C@H]3OCCC[C@H]3C2)n1 ZINC000107713070 441426931 /nfs/dbraw/zinc/42/69/31/441426931.db2.gz XROHDVBSBDDFNP-WDYCEAGBSA-N 1 1 329.444 1.992 40 0 EDABMO O=C(c1cnccn1)N1CCO[C@H]2CC[N@@H+](C[C@H]3CC=CCC3)C[C@@H]21 ZINC000108528502 441460607 /nfs/dbraw/zinc/46/06/07/441460607.db2.gz MHJWTUSHFYKBMR-SZMVWBNQSA-N 1 1 342.443 1.748 40 0 EDABMO c1cn(C[C@H]2CO[C@]3(C2)COCC[N@@H+](CC2CCOCC2)C3)cn1 ZINC000096052083 442001104 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EDABMO COC[C@H]1C[N@H+](C)C2(CN(S(=O)(=O)c3ccccc3F)C2)C1 ZINC000585093888 448677827 /nfs/dbraw/zinc/67/78/27/448677827.db2.gz NAEZNCHXXORXQG-GFCCVEGCSA-N 1 1 328.409 1.167 40 0 EDABMO COC[C@H]1C[N@@H+](C)C2(CN(S(=O)(=O)c3ccccc3F)C2)C1 ZINC000585093888 448677837 /nfs/dbraw/zinc/67/78/37/448677837.db2.gz NAEZNCHXXORXQG-GFCCVEGCSA-N 1 1 328.409 1.167 40 0 EDABMO Cc1cc(C)c(C)c(OC[C@@]2(O)C[N@H+](C3CCOCC3)CC[C@@H]2O)c1 ZINC000585286861 448732402 /nfs/dbraw/zinc/73/24/02/448732402.db2.gz JRAQIFJMYCNQDS-PMACEKPBSA-N 1 1 349.471 1.967 40 0 EDABMO O=C(C[C@H]1[NH2+][C@H]2CCCC[C@@H]2NC1=O)Nc1ccc2c(c1)OCCO2 ZINC000004223171 210146425 /nfs/dbraw/zinc/14/64/25/210146425.db2.gz YZHAPWLGJMKRMX-MELADBBJSA-N 1 1 345.399 1.186 40 0 EDABMO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](C[C@H](O)COC2CCCCC2)C1 ZINC000037238881 213136400 /nfs/dbraw/zinc/13/64/00/213136400.db2.gz DXUPJBKWHBRLDL-BBWFWOEESA-N 1 1 346.471 1.978 40 0 EDABMO Cn1nc(C2CN(C(=O)[C@]3(C)CCCC[N@H+]3C)C2)c2nccnc21 ZINC000072367337 216174257 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CNC(=O)c1cnn2c1nccc2[C@H]1CC[N@@H+](Cc2cncs2)C1 ZINC000257202247 244124815 /nfs/dbraw/zinc/12/48/15/244124815.db2.gz ALAOWWYSMNPIAV-NSHDSACASA-N 1 1 342.428 1.535 40 0 EDABMO CCc1[nH+]ccn1CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(C)=O ZINC000257213795 244159335 /nfs/dbraw/zinc/15/93/35/244159335.db2.gz CJCBDEWGTZOIAL-CYJAXWMASA-N 1 1 344.459 1.836 40 0 EDABMO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)Cn1nc(C)cc1C ZINC000257221080 244185980 /nfs/dbraw/zinc/18/59/80/244185980.db2.gz DNJZTNQXZMNWTF-MRXNPFEDSA-N 1 1 328.416 1.682 40 0 EDABMO Cc1[nH+]ccn1[C@@H]1CCC[C@@H](N(C)C(=O)CCCn2cncn2)[C@H]1O ZINC000257243795 244251649 /nfs/dbraw/zinc/25/16/49/244251649.db2.gz IIOORXNWZFHPLU-BFYDXBDKSA-N 1 1 346.435 1.176 40 0 EDABMO O=C(C1CCCC1)N1C[C@@H](O)[C@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000257269720 244372519 /nfs/dbraw/zinc/37/25/19/244372519.db2.gz MRCCSFZJJKCJGW-RTBURBONSA-N 1 1 343.471 1.571 40 0 EDABMO C/C=C/Cn1c(=O)c2c(nc3n2CC(C(C)(C)C)=[NH+]N3C)n(C)c1=O ZINC000010356822 211167664 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EDABMO C[N@H+]1C[C@@H](COCc2cccnc2)[C@]2(CCN(C(=O)C3(F)CC3)C2)C1 ZINC000585102834 448686048 /nfs/dbraw/zinc/68/60/48/448686048.db2.gz JXTIZVYEQFMRLK-FUHWJXTLSA-N 1 1 347.434 1.881 40 0 EDABMO c1ccc(C[N@H+]2C[C@@H]3COCCN3C3(CN(C4CCC4)C3)C2)cc1 ZINC000604381012 449219746 /nfs/dbraw/zinc/21/97/46/449219746.db2.gz BHXRSBGBHJUEQO-LJQANCHMSA-N 1 1 327.472 1.810 40 0 biogenic,in-vitro EDABMO COc1ccc([C@H]2CN(C(=O)CC[NH+]3CCOCC3)CCN2C)cc1 ZINC000257217904 536944991 /nfs/dbraw/zinc/94/49/91/536944991.db2.gz DBBHLWZYFMOYCL-GOSISDBHSA-N 1 1 347.459 1.233 40 0 EDABMO COc1ccc(F)cc1C(=O)NCc1c[nH]c([C@@H]2CC[N@@H+](C)C2)n1 ZINC000257216471 536616864 /nfs/dbraw/zinc/61/68/64/536616864.db2.gz CUPZNCBJKYQYDG-LLVKDONJSA-N 1 1 332.379 1.907 40 0 EDABMO COc1ccc(F)cc1C(=O)NCc1cnc([C@@H]2CC[N@H+](C)C2)[nH]1 ZINC000257216471 536616869 /nfs/dbraw/zinc/61/68/69/536616869.db2.gz CUPZNCBJKYQYDG-LLVKDONJSA-N 1 1 332.379 1.907 40 0 EDABMO COc1ccc(F)cc1C(=O)NCc1cnc([C@@H]2CC[N@@H+](C)C2)[nH]1 ZINC000257216471 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344.415 1.295 40 0 EDABMO O=S(=O)(C1CC1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccn1)C2 ZINC000096158079 442048653 /nfs/dbraw/zinc/04/86/53/442048653.db2.gz AYUXYIZIUMEQKO-QGZVFWFLSA-N 1 1 335.473 1.862 40 0 EDABMO O=S(=O)(C1CC1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccn1)C2 ZINC000096158079 442048660 /nfs/dbraw/zinc/04/86/60/442048660.db2.gz AYUXYIZIUMEQKO-QGZVFWFLSA-N 1 1 335.473 1.862 40 0 EDABMO COc1cccc(CN2CC[C@]3(CC[N@H+]([C@@H]4CCOC4)C3)C2=O)c1 ZINC000096159811 442049649 /nfs/dbraw/zinc/04/96/49/442049649.db2.gz IIKXAPGKNNKPAZ-VQIMIIECSA-N 1 1 330.428 1.909 40 0 EDABMO CC(C)[N@@H+]1[C@@H](C(=O)NCC2CC2)C[C@@H]2CN(Cc3ccncc3)C[C@@H]21 ZINC000096182721 442056277 /nfs/dbraw/zinc/05/62/77/442056277.db2.gz XALDBZGXBCXYMQ-QRVBRYPASA-N 1 1 342.487 1.891 40 0 EDABMO CC(C)N1[C@@H](C(=O)NCC2CC2)C[C@@H]2C[N@@H+](Cc3ccncc3)C[C@@H]21 ZINC000096182721 442056283 /nfs/dbraw/zinc/05/62/83/442056283.db2.gz XALDBZGXBCXYMQ-QRVBRYPASA-N 1 1 342.487 1.891 40 0 EDABMO 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Cn1nc(C[NH+]2CCCCC2)c2c1CN(C(=O)c1ccccn1)C2 ZINC000096259124 442107088 /nfs/dbraw/zinc/10/70/88/442107088.db2.gz SBTWSBXJQSMXGF-UHFFFAOYSA-N 1 1 325.416 1.957 40 0 EDABMO CS(=O)(=O)NC[C@@H]1Cn2nccc2C[N@@H+](CC2CCCC2)C1 ZINC000247562558 442862387 /nfs/dbraw/zinc/86/23/87/442862387.db2.gz ZFBOKLMRMOHUGA-AWEZNQCLSA-N 1 1 326.466 1.054 40 0 EDABMO CN(C)c1ncc(-c2ccccc2)c([C@@H]2CCC[N@@H+]2CC(N)=O)n1 ZINC000257287699 443132583 /nfs/dbraw/zinc/13/25/83/443132583.db2.gz PRDFIGCOOGFPRB-HNNXBMFYSA-N 1 1 325.416 1.832 40 0 EDABMO CN(C)c1ncc(-c2ccccc2)c([C@@H]2CCC[N@H+]2CC(N)=O)n1 ZINC000257287699 443132589 /nfs/dbraw/zinc/13/25/89/443132589.db2.gz PRDFIGCOOGFPRB-HNNXBMFYSA-N 1 1 325.416 1.832 40 0 EDABMO Cc1[nH+]ccn1CC(=O)N1CCCC[C@H]1c1cc(=O)n2cc[nH]c2n1 ZINC000257325396 443148125 /nfs/dbraw/zinc/14/81/25/443148125.db2.gz WSTWKUIUZWGDPZ-AWEZNQCLSA-N 1 1 340.387 1.694 40 0 EDABMO CN(C(=O)CCc1cccnc1)[C@@H]1CCC[C@@H]([NH+]2CCOCC2)[C@@H]1O ZINC000257302280 443138382 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40 0 EDABMO CC(C)CC(=O)NCCn1nc([C@H]2CC[N@@H+](C)C2)c2nccnc21 ZINC000072391625 216191012 /nfs/dbraw/zinc/19/10/12/216191012.db2.gz UBSYZGSHNZCFRG-ZDUSSCGKSA-N 1 1 330.436 1.408 40 0 EDABMO C[C@]1(O)C[N@H+](CC(=O)N2CCCC2)CC[C@@H]1Oc1cccc(F)c1 ZINC000257256451 244285640 /nfs/dbraw/zinc/28/56/40/244285640.db2.gz KLNVFDPXJJHZEN-WMZOPIPTSA-N 1 1 336.407 1.652 40 0 EDABMO C[C@]1(O)C[N@@H+](CC(=O)N2CCCC2)CC[C@@H]1Oc1cccc(F)c1 ZINC000257256451 244285648 /nfs/dbraw/zinc/28/56/48/244285648.db2.gz KLNVFDPXJJHZEN-WMZOPIPTSA-N 1 1 336.407 1.652 40 0 EDABMO Cc1[nH+]ccn1CC(=O)NCc1cnc([C@@]2(C)CCCCO2)nc1 ZINC000257274457 244389769 /nfs/dbraw/zinc/38/97/69/244389769.db2.gz NLDFKNXNZVJYRG-QGZVFWFLSA-N 1 1 329.404 1.714 40 0 EDABMO C[N@H+]1CCC[C@@H](c2nnc3n2CCN(C(=O)C2CCCC2)CC3)C1 ZINC000019709349 212055230 /nfs/dbraw/zinc/05/52/30/212055230.db2.gz YYXMEHFKDKSREE-OAHLLOKOSA-N 1 1 331.464 1.662 40 0 EDABMO COc1cc(C(=O)NC(C)(C)C[N@H+]2CCC[C@H](C)C2)nc(OC)n1 ZINC000019496545 212032825 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COc1ccc(CN2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)cc1 ZINC000107746747 219805304 /nfs/dbraw/zinc/80/53/04/219805304.db2.gz ARRYSNRQDNUHPZ-AEFFLSMTSA-N 1 1 340.427 1.823 40 0 EDABMO CC(C)CC(=O)NCCn1nc([C@@H]2CC[N@@H+](C)C2)c2nccnc21 ZINC000072391624 216191206 /nfs/dbraw/zinc/19/12/06/216191206.db2.gz UBSYZGSHNZCFRG-CYBMUJFWSA-N 1 1 330.436 1.408 40 0 EDABMO Cc1ncc(C[NH+](C)C)c([C@H]2CCCN2C(=O)CCn2ccnc2)n1 ZINC000257206912 244136416 /nfs/dbraw/zinc/13/64/16/244136416.db2.gz BFLLQESWPSNLEY-MRXNPFEDSA-N 1 1 342.447 1.797 40 0 EDABMO CN(C)c1cc(CC[C@@H]2CN(C(=O)c3cccn3C)CCO2)cc[nH+]1 ZINC000257257010 244284014 /nfs/dbraw/zinc/28/40/14/244284014.db2.gz KNRPLQJOLDLZHO-MRXNPFEDSA-N 1 1 342.443 1.960 40 0 EDABMO Cc1nc(C)c(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c(=O)[nH]1 ZINC000019937477 212087879 /nfs/dbraw/zinc/08/78/79/212087879.db2.gz BHRZNTQZZGSPKT-UHFFFAOYSA-N 1 1 340.427 1.274 40 0 EDABMO COc1ncc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2cccnc2)cn1 ZINC000019572082 212043799 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337.427 1.879 40 0 EDABMO Cc1cnc(Nc2nccc([C@@H]3CCCCN3C(=O)C[NH3+])n2)s1 ZINC000072382983 281631957 /nfs/dbraw/zinc/63/19/57/281631957.db2.gz RRFQQNGLYCIXQS-LBPRGKRZSA-N 1 1 332.433 1.997 40 0 EDABMO Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@@H]3N1C(=O)Cn1cc[nH+]c1C ZINC000019130440 441254106 /nfs/dbraw/zinc/25/41/06/441254106.db2.gz FNVLRWOBDSYPGB-HIFRSBDPSA-N 1 1 336.399 1.831 40 0 EDABMO O=C(Nc1cccnc1)C1=NO[C@]2(CC[N@@H+](C[C@H]3CCOC3)C2)C1 ZINC000107232077 441404728 /nfs/dbraw/zinc/40/47/28/441404728.db2.gz ZGWPTGIBBKPYNH-CXAGYDPISA-N 1 1 330.388 1.277 40 0 EDABMO CC(=O)N1CCC([N@@H+]2C[C@@H]3[C@H](C2)OCC(=O)N3c2ccccc2)CC1 ZINC000067897070 441694101 /nfs/dbraw/zinc/69/41/01/441694101.db2.gz LUEFDERFXSOCNN-MSOLQXFVSA-N 1 1 343.427 1.114 40 0 biogenic,in-vitro EDABMO O=C(c1cnccn1)N1CCC[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC000096047080 441995096 /nfs/dbraw/zinc/99/50/96/441995096.db2.gz AEHRIOUSUINCHO-IBGZPJMESA-N 1 1 337.427 2.000 40 0 EDABMO Cn1cc(C[N@H+]2CCC[C@]3(CCN(c4cncnc4)C3=O)C2)cn1 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CCOCC(=O)N1Cc2nccn2C[C@H](C[N@@H+](C)Cc2ccco2)C1 ZINC000096067130 442016635 /nfs/dbraw/zinc/01/66/35/442016635.db2.gz BZMZIEBHLREHST-HNNXBMFYSA-N 1 1 346.431 1.603 40 0 EDABMO Cc1ncsc1C[N@H+]1C[C@@H]2CN(Cc3cnn(C)c3)CCO[C@@H]2C1 ZINC000096108114 442031933 /nfs/dbraw/zinc/03/19/33/442031933.db2.gz MNLLFLKLCCHIKG-JKSUJKDBSA-N 1 1 347.488 1.518 40 0 EDABMO Cc1ncsc1CN1C[C@@H]2C[N@H+](Cc3cnn(C)c3)CCO[C@@H]2C1 ZINC000096108114 442031936 /nfs/dbraw/zinc/03/19/36/442031936.db2.gz MNLLFLKLCCHIKG-JKSUJKDBSA-N 1 1 347.488 1.518 40 0 EDABMO Cc1ncsc1CN1C[C@@H]2C[N@@H+](Cc3cnn(C)c3)CCO[C@@H]2C1 ZINC000096108114 442031943 /nfs/dbraw/zinc/03/19/43/442031943.db2.gz MNLLFLKLCCHIKG-JKSUJKDBSA-N 1 1 347.488 1.518 40 0 EDABMO Cn1cc(N2CC[C@@]3(CCC[N@@H+](Cc4cccnc4)C3)C2=O)cn1 ZINC000096224631 442092418 /nfs/dbraw/zinc/09/24/18/442092418.db2.gz ULGWZYRDBJIIEE-GOSISDBHSA-N 1 1 325.416 1.834 40 0 EDABMO COc1ncccc1C[N@@H+]1C[C@H]2CN(C(=O)c3ccco3)C[C@H]2C1 ZINC000096161754 442051167 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EDABMO CN(C)C(=O)CO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccsc1)C2 ZINC000096206978 442080498 /nfs/dbraw/zinc/08/04/98/442080498.db2.gz ZZABWWQJYGXIOK-RDJZCZTQSA-N 1 1 338.473 1.976 40 0 EDABMO Cn1cc(C(=O)N2CCC3(C[C@H](COCC4CC4)[N@@H+](C)C3)CC2)cn1 ZINC000096207273 442081206 /nfs/dbraw/zinc/08/12/06/442081206.db2.gz SBGPDVCSGWZMLP-QGZVFWFLSA-N 1 1 346.475 1.773 40 0 EDABMO O=C1NC[C@H](COc2ccccn2)[C@]12CC[N@@H+](Cc1ccoc1)C2 ZINC000096215141 442085917 /nfs/dbraw/zinc/08/59/17/442085917.db2.gz HOSWFQOHNKCBRW-CRAIPNDOSA-N 1 1 327.384 1.692 40 0 EDABMO Cc1ccc(C[N@@H+]2CCC[C@@]3(CCN(S(=O)(=O)N(C)C)C3)C2)o1 ZINC000096215976 442087539 /nfs/dbraw/zinc/08/75/39/442087539.db2.gz HZUZJBLPEGRQRN-MRXNPFEDSA-N 1 1 341.477 1.682 40 0 EDABMO COC[C@@H]1CC2(C[N@H+]1C(C)C)CCN(C(=O)c1ccnnc1)CC2 ZINC000096240322 442099744 /nfs/dbraw/zinc/09/97/44/442099744.db2.gz CGDVPVIEKBSNCW-INIZCTEOSA-N 1 1 332.448 1.828 40 0 EDABMO Cc1cccc(C[N@@H+]2CCOC[C@]3(CN(CC4CC4)C(=O)CO3)C2)n1 ZINC000096241211 442101063 /nfs/dbraw/zinc/10/10/63/442101063.db2.gz XGVALRHTXAACMI-LJQANCHMSA-N 1 1 345.443 1.230 40 0 EDABMO Cc1cccc(C[N@H+]2CCOC[C@]3(CN(CC4CC4)C(=O)CO3)C2)n1 ZINC000096241211 442101067 /nfs/dbraw/zinc/10/10/67/442101067.db2.gz XGVALRHTXAACMI-LJQANCHMSA-N 1 1 345.443 1.230 40 0 EDABMO CC(C)(C)OC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C[C@H]1O ZINC000265540632 442816354 /nfs/dbraw/zinc/81/63/54/442816354.db2.gz KPKXBGLKFPRIOJ-QAPCUYQASA-N 1 1 336.432 1.509 40 0 EDABMO c1cc(CN2CCOC[C@]3(C[N@@H+](C[C@H]4CCOC4)CCO3)C2)ccn1 ZINC000247835795 442869497 /nfs/dbraw/zinc/86/94/97/442869497.db2.gz NIZUIXPMYNVJKN-RTBURBONSA-N 1 1 347.459 1.021 40 0 EDABMO CC(C)[N@H+]1Cc2ccnn2C[C@H](CNS(=O)(=O)c2ccccc2)C1 ZINC000247982384 442876809 /nfs/dbraw/zinc/87/68/09/442876809.db2.gz HOFGWMWAALTFKN-OAHLLOKOSA-N 1 1 348.472 1.702 40 0 EDABMO CC(C)[N@@H+]1Cc2ccnn2C[C@H](CNS(=O)(=O)c2ccccc2)C1 ZINC000247982384 442876813 /nfs/dbraw/zinc/87/68/13/442876813.db2.gz HOFGWMWAALTFKN-OAHLLOKOSA-N 1 1 348.472 1.702 40 0 EDABMO Cc1nc(CO[C@@H]2CO[C@@]3(C2)CCC[N@H+](C[C@H](C)O)C3)cs1 ZINC000248032689 442878067 /nfs/dbraw/zinc/87/80/67/442878067.db2.gz MLTMFYUSEWZAMG-VBNZEHGJSA-N 1 1 326.462 1.972 40 0 EDABMO C[N@@H+](CCC(=O)N1CCO[C@@H](c2cnccn2)C1)Cc1ccccn1 ZINC000257306914 443140595 /nfs/dbraw/zinc/14/05/95/443140595.db2.gz SWOFOQDTJRMMBD-QGZVFWFLSA-N 1 1 341.415 1.294 40 0 EDABMO Cc1noc(C)c1-c1cnc(C[C@H]2CC[N@H+](CC(=O)N(C)C)C2)cn1 ZINC000257283473 443130428 /nfs/dbraw/zinc/13/04/28/443130428.db2.gz OYMKLMXSNIUEDY-CQSZACIVSA-N 1 1 343.431 1.701 40 0 EDABMO Cc1ccccc1C[N@H+]1CC[C@@]2(CCCN2S(C)(=O)=O)[C@@H](O)C1 ZINC000257285869 443131015 /nfs/dbraw/zinc/13/10/15/443131015.db2.gz PJGPNROPQHPTFA-IRXDYDNUSA-N 1 1 338.473 1.356 40 0 EDABMO CCOC[C@H]1CC[N@H+](C)C2(CN(S(=O)(=O)c3ccccc3)C2)C1 ZINC000585103139 448685995 /nfs/dbraw/zinc/68/59/95/448685995.db2.gz ROUBLSDUFFROAY-HNNXBMFYSA-N 1 1 338.473 1.808 40 0 EDABMO CCOC[C@H]1CC[N@@H+](C)C2(CN(S(=O)(=O)c3ccccc3)C2)C1 ZINC000585103139 448685998 /nfs/dbraw/zinc/68/59/98/448685998.db2.gz ROUBLSDUFFROAY-HNNXBMFYSA-N 1 1 338.473 1.808 40 0 EDABMO COCCN1C[C@@]2(CC1=O)COCC[N@H+]([C@@H](C)c1ccccc1)C2 ZINC000585104424 448687095 /nfs/dbraw/zinc/68/70/95/448687095.db2.gz MZFKRZPBZATHBV-LPHOPBHVSA-N 1 1 332.444 1.945 40 0 EDABMO Cc1nc(C[NH+]2C[C@@H]3CN(C(=O)c4ccnn4C)C[C@H]3C2)cs1 ZINC000585107603 448688073 /nfs/dbraw/zinc/68/80/73/448688073.db2.gz OWGYRMUPUWZVNV-CHWSQXEVSA-N 1 1 331.445 1.389 40 0 EDABMO Cc1snnc1C(=O)N1C[C@@H]2CC[N@H+](Cc3cccnc3)[C@@H]2C1 ZINC000585107671 448688310 /nfs/dbraw/zinc/68/83/10/448688310.db2.gz PYHCNVMDZVOSLM-UONOGXRCSA-N 1 1 329.429 1.588 40 0 EDABMO Cc1snnc1C(=O)N1C[C@@H]2CC[N@@H+](Cc3cccnc3)[C@@H]2C1 ZINC000585107671 448688312 /nfs/dbraw/zinc/68/83/12/448688312.db2.gz PYHCNVMDZVOSLM-UONOGXRCSA-N 1 1 329.429 1.588 40 0 EDABMO CCC[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccccc2)CC1 ZINC000585106051 448688348 /nfs/dbraw/zinc/68/83/48/448688348.db2.gz HWDOMQCOCVSAOQ-SJORKVTESA-N 1 1 341.455 1.749 40 0 EDABMO Cc1[nH+]ccn1CC(=O)N1CCO[C@](CO)(Cc2ccccc2)C1 ZINC000585276637 448722049 /nfs/dbraw/zinc/72/20/49/448722049.db2.gz GTJPJIXOEKHAQC-GOSISDBHSA-N 1 1 329.400 1.024 40 0 EDABMO CC(=O)N1CCC([N@H+]2CCO[C@](CO)(Cc3ccccc3)C2)CC1 ZINC000585269208 448716954 /nfs/dbraw/zinc/71/69/54/448716954.db2.gz LOSNEDKYBLBLBK-LJQANCHMSA-N 1 1 332.444 1.303 40 0 EDABMO O=S(=O)(c1ccccc1)N1CC2(C1)C[C@@H](CO)C[N@H+]2CC1CC1 ZINC000585093929 448677718 /nfs/dbraw/zinc/67/77/18/448677718.db2.gz PZECJDIUWVHVNX-OAHLLOKOSA-N 1 1 336.457 1.154 40 0 EDABMO Cc1c(CN2Cc3ccnn3CC[C@H]2C[NH+]2CCOCC2)cnn1C ZINC000585097473 448682333 /nfs/dbraw/zinc/68/23/33/448682333.db2.gz MEACICVAHINXQD-KRWDZBQOSA-N 1 1 344.463 1.032 40 0 EDABMO C[N@@H+](Cc1ccccc1)[C@@H]1CC[C@@H](C(=O)NCc2cccnc2)[C@@H]1O ZINC000585280633 448730563 /nfs/dbraw/zinc/73/05/63/448730563.db2.gz MLIWKUAKGZDHRR-QRVBRYPASA-N 1 1 339.439 1.969 40 0 EDABMO CC(C)C[C@@H](NC(=O)[C@H]([NH2+]CCN)C(C)C)C(=O)Nc1ccccc1 ZINC000224555078 486171614 /nfs/dbraw/zinc/17/16/14/486171614.db2.gz UABCFHFXPFDWCS-IAGOWNOFSA-N 1 1 348.491 1.729 40 0 EDABMO COc1cccc(C[N@H+]2C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCCO3)C2)c1 ZINC000097953654 219065276 /nfs/dbraw/zinc/06/52/76/219065276.db2.gz ZSHBMCLHPZNJLL-OKZBNKHCSA-N 1 1 346.427 1.696 40 0 EDABMO Cc1[nH+]ccn1CC(=O)N1CC[C@@](C)(O)[C@H](Oc2ccccc2)C1 ZINC000257295326 282202215 /nfs/dbraw/zinc/20/22/15/282202215.db2.gz QXWUFLVECBFWRI-SJLPKXTDSA-N 1 1 329.400 1.622 40 0 EDABMO C[C@@H](Cc1ccc2c(c1)OCO2)CN1C[C@H]2C[C@@H](O)C[N@H+]2C[C@@H]1C ZINC000036718960 213113437 /nfs/dbraw/zinc/11/34/37/213113437.db2.gz BEERMGACMMQTOF-XJNFMUPTSA-N 1 1 332.444 1.733 40 0 EDABMO C[C@@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1C[C@H]2C[C@@H](O)CN2C[C@@H]1C ZINC000036718960 213113440 /nfs/dbraw/zinc/11/34/40/213113440.db2.gz BEERMGACMMQTOF-XJNFMUPTSA-N 1 1 332.444 1.733 40 0 EDABMO C[C@@H](Cc1ccc2c(c1)OCO2)C[N@H+]1C[C@H]2C[C@@H](O)CN2C[C@@H]1C ZINC000036718960 213113441 /nfs/dbraw/zinc/11/34/41/213113441.db2.gz BEERMGACMMQTOF-XJNFMUPTSA-N 1 1 332.444 1.733 40 0 EDABMO NCC1(C[NH3+])[C@@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccccc1 ZINC000218454025 241323463 /nfs/dbraw/zinc/32/34/63/241323463.db2.gz IEPPVTRWAMIYKW-JKSUJKDBSA-N 1 1 334.416 1.669 40 0 EDABMO CC(C)c1cc(C(=O)N2CCC[C@](O)(C[NH+]3CCCC3)CC2)n[nH]1 ZINC000257227208 244204909 /nfs/dbraw/zinc/20/49/09/244204909.db2.gz FOCXNAWMVRRGQP-GOSISDBHSA-N 1 1 334.464 1.986 40 0 EDABMO CN(C)c1cnc(C[C@H]2CCC[N@@H+](CC3(O)CCOCC3)CC2)cn1 ZINC000257262499 244350070 /nfs/dbraw/zinc/35/00/70/244350070.db2.gz LLRBCYXXYMIXHN-INIZCTEOSA-N 1 1 348.491 1.729 40 0 EDABMO COC[C@@H](O)C[NH+]1CCN(CC2(c3ccc(Cl)cc3)CC2)CC1 ZINC000019593045 212050423 /nfs/dbraw/zinc/05/04/23/212050423.db2.gz IZKSTZYVPZSGAC-KRWDZBQOSA-N 1 1 338.879 1.997 40 0 EDABMO CCc1cnc(N2CCC3(C[C@@H]([NH+]4CCOCC4)CO3)CC2)nc1 ZINC000096158666 276696795 /nfs/dbraw/zinc/69/67/95/276696795.db2.gz RYHFCCTUVNSWLU-MRXNPFEDSA-N 1 1 332.448 1.499 40 0 EDABMO COCC[N@H+]1CC[C@H]2OCCC[C@@]2(COCC(=O)N2CCCC2)C1 ZINC000107712157 441426577 /nfs/dbraw/zinc/42/65/77/441426577.db2.gz WCLWCGWEWIKNPW-AEFFLSMTSA-N 1 1 340.464 1.143 40 0 EDABMO Cn1cc(C[N@H+]2CCC[C@]3(C[C@@H](Nc4ncc(F)cn4)CO3)C2)cn1 ZINC000107731214 441427647 /nfs/dbraw/zinc/42/76/47/441427647.db2.gz QDFZTUHMSIBKAD-WBVHZDCISA-N 1 1 346.410 1.585 40 0 EDABMO Cc1ncc(C[N@@H+]2CCC3(CC(NC(=O)c4cnn(C)c4)C3)C2)[nH]1 ZINC000108524927 441459431 /nfs/dbraw/zinc/45/94/31/441459431.db2.gz VXDRZUJKRMPDJR-UHFFFAOYSA-N 1 1 328.420 1.236 40 0 EDABMO Cc1nc(C[N@H+]2CCC3(CC(NC(=O)c4cnn(C)c4)C3)C2)c[nH]1 ZINC000108524927 441459435 /nfs/dbraw/zinc/45/94/35/441459435.db2.gz VXDRZUJKRMPDJR-UHFFFAOYSA-N 1 1 328.420 1.236 40 0 EDABMO Cc1nc(C[N@@H+]2CCC3(CC(NC(=O)c4cnn(C)c4)C3)C2)c[nH]1 ZINC000108524927 441459439 /nfs/dbraw/zinc/45/94/39/441459439.db2.gz VXDRZUJKRMPDJR-UHFFFAOYSA-N 1 1 328.420 1.236 40 0 EDABMO c1cnc(N[C@@H]2CO[C@@]3(C2)CCC[N@H+](CC2CCOCC2)C3)nc1 ZINC000096048405 441996053 /nfs/dbraw/zinc/99/60/53/441996053.db2.gz KKTUIYXYBNMSEK-FUHWJXTLSA-N 1 1 332.448 1.939 40 0 EDABMO CC(C)NC(=O)N1CC[N@H+](Cc2ccoc2)C[C@]2(CC(=O)N(C)C2)C1 ZINC000096036090 441983566 /nfs/dbraw/zinc/98/35/66/441983566.db2.gz IAPCTYDUXNFNHV-GOSISDBHSA-N 1 1 348.447 1.364 40 0 EDABMO CC(C)NC(=O)N1CC[N@@H+](Cc2ccoc2)C[C@]2(CC(=O)N(C)C2)C1 ZINC000096036090 441983572 /nfs/dbraw/zinc/98/35/72/441983572.db2.gz IAPCTYDUXNFNHV-GOSISDBHSA-N 1 1 348.447 1.364 40 0 EDABMO COCCNC(=O)[C@@H]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccc(F)cc2)O1 ZINC000096057336 442005559 /nfs/dbraw/zinc/00/55/59/442005559.db2.gz BJYWVCXAFCMJCI-ZACQAIPSSA-N 1 1 336.407 1.710 40 0 EDABMO COc1ncccc1C[N@@H+]1CC[C@@H]2[C@@H]1CC(=O)N2CC1CCOCC1 ZINC000096063858 442011173 /nfs/dbraw/zinc/01/11/73/442011173.db2.gz DMOTUXPOTRHRMS-SJORKVTESA-N 1 1 345.443 1.692 40 0 EDABMO COc1ncccc1C[N@H+]1CC[C@@H]2[C@@H]1CC(=O)N2CC1CCOCC1 ZINC000096063858 442011177 /nfs/dbraw/zinc/01/11/77/442011177.db2.gz DMOTUXPOTRHRMS-SJORKVTESA-N 1 1 345.443 1.692 40 0 EDABMO Cn1cc(C[N@H+]2CC[C@H]3C(=O)N(c4ccsc4)CCO[C@H]3C2)cn1 ZINC000096107138 442030761 /nfs/dbraw/zinc/03/07/61/442030761.db2.gz WUZHTVXDFDXAFQ-CVEARBPZSA-N 1 1 346.456 1.736 40 0 EDABMO O=C(c1ccnnc1)N1C[C@@H]2C[N@@H+](Cc3ccsc3)CCO[C@@H]2C1 ZINC000096108214 442031556 /nfs/dbraw/zinc/03/15/56/442031556.db2.gz WWQYTPWCVUAMTM-JKSUJKDBSA-N 1 1 344.440 1.511 40 0 EDABMO Cn1cc(CN2CCOC[C@]3(CC[N@@H+](Cc4ccco4)C3)C2)cn1 ZINC000096202121 442077738 /nfs/dbraw/zinc/07/77/38/442077738.db2.gz DOUOAPKCWLHFMH-SFHVURJKSA-N 1 1 330.432 1.738 40 0 EDABMO COc1ncccc1C[N@@H+]1C[C@@H]2C[C@H](Cc3nc(C)no3)O[C@@H]2C1 ZINC000096217270 442088473 /nfs/dbraw/zinc/08/84/73/442088473.db2.gz CJBDAALKCWDAFF-RRFJBIMHSA-N 1 1 330.388 1.614 40 0 EDABMO COc1ncccc1C[N@H+]1C[C@@H]2C[C@H](Cc3nc(C)no3)O[C@@H]2C1 ZINC000096217270 442088476 /nfs/dbraw/zinc/08/84/76/442088476.db2.gz CJBDAALKCWDAFF-RRFJBIMHSA-N 1 1 330.388 1.614 40 0 EDABMO CC1=N[C@@]2(CC[C@@H]3C[N@@H+](CC(=O)N(C)C)C[C@@H]32)C(=O)N1CC(C)C ZINC000096261551 442108844 /nfs/dbraw/zinc/10/88/44/442108844.db2.gz NUUPGOHYUFHJRU-RVKKMQEKSA-N 1 1 334.464 1.072 40 0 EDABMO Cn1cncc1C[N@H+]1CC[C@@]2(CCC[C@@H]2C(=O)N2CCCCO2)C1 ZINC000248038522 442878423 /nfs/dbraw/zinc/87/84/23/442878423.db2.gz NMRSWRZHMXFVHL-AEFFLSMTSA-N 1 1 332.448 1.966 40 0 EDABMO CN(C(=O)Cc1ccsc1)[C@@H]1CCC[C@@H]([NH+]2CCOCC2)[C@@H]1O ZINC000257324527 443148196 /nfs/dbraw/zinc/14/81/96/443148196.db2.gz WPCSNNYWLBLVBV-BFYDXBDKSA-N 1 1 338.473 1.363 40 0 EDABMO O=C(N1CC[C@@](O)(C[NH+]2CCOCC2)C1)C1(c2ccccc2)CC1 ZINC000257299268 443136913 /nfs/dbraw/zinc/13/69/13/443136913.db2.gz RPJFQRKZHIUIBG-GOSISDBHSA-N 1 1 330.428 1.014 40 0 EDABMO Cc1ocnc1C(=O)N1CCO[C@@H](CCc2cc[nH+]c(N(C)C)c2)C1 ZINC000257315139 443143693 /nfs/dbraw/zinc/14/36/93/443143693.db2.gz VAARHKPKPPDAAW-HNNXBMFYSA-N 1 1 344.415 1.918 40 0 EDABMO C[C@@H]1C[N@H+](C[C@@H](O)COCCOc2ccc(F)cc2)C[C@H](C)O1 ZINC000226170711 443121041 /nfs/dbraw/zinc/12/10/41/443121041.db2.gz RETOKUOVURNNNX-IJEWVQPXSA-N 1 1 327.396 1.691 40 0 EDABMO 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COCC(=O)NCC[C@@H]1CCOC12C[NH+](Cc1ccccc1C)C2 ZINC000248130375 442882610 /nfs/dbraw/zinc/88/26/10/442882610.db2.gz ALBIISJZKFENBM-QGZVFWFLSA-N 1 1 332.444 1.739 40 0 EDABMO O=C(CCN1C(=O)CCCC1=O)OC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000253488461 443072220 /nfs/dbraw/zinc/07/22/20/443072220.db2.gz AUPZDFOUVOMPGK-LSDHHAIUSA-N 1 1 336.432 1.723 40 0 EDABMO CNC(=O)c1cccc([C@@H]2C[NH2+]CCN2C(=O)c2cccc(C)n2)c1 ZINC000257215416 443124291 /nfs/dbraw/zinc/12/42/91/443124291.db2.gz CPZVFRVBWXJMRC-KRWDZBQOSA-N 1 1 338.411 1.536 40 0 EDABMO CO[C@H]1[C@@H]2OCO[C@@H]2C[C@H]2[C@@H](O)C[N@H+]([C@H](C)c3ccccc3)C[C@H]21 ZINC000261829900 443170914 /nfs/dbraw/zinc/17/09/14/443170914.db2.gz XURKOQQWNGJKKI-OOXNMXKUSA-N 1 1 333.428 1.817 40 0 EDABMO CC(C)NC(=O)c1nnc2n1C[C@@H]1C[N@H+](Cc3ccco3)C[C@@H]1C2 ZINC000306135106 444286756 /nfs/dbraw/zinc/28/67/56/444286756.db2.gz OHZIIQMCPVAGPQ-STQMWFEESA-N 1 1 329.404 1.314 40 0 EDABMO O=C(NCC[C@H]1C[N@H+](C2CCCC2)Cc2ccnn21)c1cnccn1 ZINC000306138187 444287276 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CC[C@@H](C)[N@H+]1CCC[C@@]2(CCC(=O)N2CCS(C)(=O)=O)CC1 ZINC000585100730 448684738 /nfs/dbraw/zinc/68/47/38/448684738.db2.gz UXAXLPUBSLEUFS-GDBMZVCRSA-N 1 1 330.494 1.677 40 0 EDABMO CNC(=O)C[C@]1(OC)COCC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000585279504 448727820 /nfs/dbraw/zinc/72/78/20/448727820.db2.gz NHXTWXQOCGHPKF-GOSISDBHSA-N 1 1 331.416 1.521 40 0 EDABMO Cc1nn(C)cc1NC(=O)[C@@H]1CC[C@@H]([N@@H+](C)Cc2ccccc2)[C@H]1O ZINC000585281471 448730768 /nfs/dbraw/zinc/73/07/68/448730768.db2.gz YBLQMEBPJGTKLA-NXHRZFHOSA-N 1 1 342.443 1.939 40 0 EDABMO CCCn1cc(C[N@@H+](C)C[C@@H]2COC[C@@H](O)[C@H]2O)c2ccccc21 ZINC000585291160 448735258 /nfs/dbraw/zinc/73/52/58/448735258.db2.gz LZBHEFXFJKBGBH-LZQZEXGQSA-N 1 1 332.444 1.851 40 0 EDABMO CCn1cc(C[N@H+]2CC[C@H](c3n[nH]cc3C(=O)N(C)C)C2)c(C)n1 ZINC000257204595 536057140 /nfs/dbraw/zinc/05/71/40/536057140.db2.gz AVJODXKCJRPHTN-ZDUSSCGKSA-N 1 1 330.436 1.626 40 0 EDABMO C[NH+](C)Cc1cncc([C@@H]2CCCN2S(=O)(=O)c2cccnc2)n1 ZINC000257264895 536058500 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O=C(N[C@@H]1CC[C@@H]([NH+]2CCOCC2)[C@@H]1O)C1(c2ccccc2F)CC1 ZINC000257306928 284094445 /nfs/dbraw/zinc/09/44/45/284094445.db2.gz SWPHREZYHLKCCH-BRWVUGGUSA-N 1 1 348.418 1.198 40 0 EDABMO COc1cccc(OC)c1CN1CC[N@@H+](C)C[C@H](C(=O)N(C)C)C1 ZINC000257207904 244141237 /nfs/dbraw/zinc/14/12/37/244141237.db2.gz BJWMEMUOTVPTPZ-AWEZNQCLSA-N 1 1 335.448 1.156 40 0 EDABMO CN(C)C(=O)C[N@H+]1[C@H](c2ccccc2)C[C@]2(C)NC(=O)CCC[C@H]12 ZINC000257212846 244156150 /nfs/dbraw/zinc/15/61/50/244156150.db2.gz CFEVJZGTTUEBBC-BXWFABGCSA-N 1 1 329.444 1.949 40 0 EDABMO CS(=O)(=O)N1CCC([N@H+]2CCC[C@@H](Cc3cccnc3)C2)CC1 ZINC000257265026 244359021 /nfs/dbraw/zinc/35/90/21/244359021.db2.gz LWZDBNYGPAQRPN-INIZCTEOSA-N 1 1 337.489 1.760 40 0 EDABMO Cc1cc(=O)oc2cc(OC[C@@H](O)C[NH+]3C[C@@H](C)O[C@H](C)C3)ccc12 ZINC000019912337 212083914 /nfs/dbraw/zinc/08/39/14/212083914.db2.gz AGJBSEHSHCYFEH-KFWWJZLASA-N 1 1 347.411 1.950 40 0 EDABMO COCC[N@H+]1CCC[C@H](c2ncc(C(=O)N3CCOCC3)c(C)n2)C1 ZINC000019766302 212063267 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CNc1cc(C(=O)N2CCC[C@@H]2c2cc(C[NH+](C)C)n(C)n2)ccn1 ZINC000019710062 441259559 /nfs/dbraw/zinc/25/95/59/441259559.db2.gz ITBVMBPBRVTQPM-MRXNPFEDSA-N 1 1 342.447 1.896 40 0 EDABMO CNc1cc(C(=O)N2CCC[C@H]2c2cc(C[NH+](C)C)n(C)n2)ccn1 ZINC000019710063 441259822 /nfs/dbraw/zinc/25/98/22/441259822.db2.gz ITBVMBPBRVTQPM-INIZCTEOSA-N 1 1 342.447 1.896 40 0 EDABMO c1cncc(C[N@H+]2CCOC[C@]3(CC[C@@H](CN4CCOCC4)O3)C2)c1 ZINC000107739690 441428978 /nfs/dbraw/zinc/42/89/78/441428978.db2.gz GAJKUAXIRMEVPE-OALUTQOASA-N 1 1 347.459 1.164 40 0 EDABMO c1cncc(C[N@@H+]2CCOC[C@]3(CC[C@@H](CN4CCOCC4)O3)C2)c1 ZINC000107739690 441428981 /nfs/dbraw/zinc/42/89/81/441428981.db2.gz GAJKUAXIRMEVPE-OALUTQOASA-N 1 1 347.459 1.164 40 0 EDABMO c1ccc(C[N@H+]2CCC[C@]3(C[C@@H](CN4CCOCC4)CO3)C2)nc1 ZINC000107790462 441430690 /nfs/dbraw/zinc/43/06/90/441430690.db2.gz BPLOUSSOLLXXLJ-HKUYNNGSSA-N 1 1 331.460 1.785 40 0 EDABMO c1ccc(C[N@@H+]2CCC[C@]3(C[C@@H](CN4CCOCC4)CO3)C2)nc1 ZINC000107790462 441430693 /nfs/dbraw/zinc/43/06/93/441430693.db2.gz BPLOUSSOLLXXLJ-HKUYNNGSSA-N 1 1 331.460 1.785 40 0 EDABMO CCOc1cc([C@H]([NH3+])c2nc(-c3cnccn3)n[nH]2)ccc1OC ZINC000095534394 441951596 /nfs/dbraw/zinc/95/15/96/441951596.db2.gz WKAMOPJQCVCXLY-AWEZNQCLSA-N 1 1 326.360 1.717 40 0 EDABMO COCCNC(=O)[C@@H]1CCO[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]21 ZINC000096043317 441991644 /nfs/dbraw/zinc/99/16/44/441991644.db2.gz HCPFFEYLODTQSQ-IXDOHACOSA-N 1 1 333.432 1.071 40 0 EDABMO COCC[N@H+]1CC[C@H]2OCC[C@@H](C(=O)NCCc3ccccn3)[C@@H]2C1 ZINC000096043379 441993097 /nfs/dbraw/zinc/99/30/97/441993097.db2.gz DCAXCCYZCXUIFN-FGTMMUONSA-N 1 1 347.459 1.114 40 0 EDABMO CN(C)C(=O)COC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1cccnc1)C2 ZINC000096039769 441987251 /nfs/dbraw/zinc/98/72/51/441987251.db2.gz ACFILNLZVNGTLO-IEBWSBKVSA-N 1 1 347.459 1.558 40 0 EDABMO CN(C)C(=O)COC[C@]12CCCO[C@H]1CC[N@@H+](Cc1cccnc1)C2 ZINC000096039771 441987411 /nfs/dbraw/zinc/98/74/11/441987411.db2.gz ACFILNLZVNGTLO-PKOBYXMFSA-N 1 1 347.459 1.558 40 0 EDABMO CCOC(=O)[C@@]12C[N@H+](C(C)C)C[C@@H]1CN(Cc1cnn(C)c1)CCC2 ZINC000096055902 442002962 /nfs/dbraw/zinc/00/29/62/442002962.db2.gz BOSWMNVQIOZMOC-HKUYNNGSSA-N 1 1 348.491 1.906 40 0 EDABMO CCS(=O)(=O)N1CC[C@@H](OC)[C@H]2C[N@@H+](Cc3ccco3)C[C@H]21 ZINC000096108613 442033785 /nfs/dbraw/zinc/03/37/85/442033785.db2.gz IOPGKMWRWAGXSI-RRFJBIMHSA-N 1 1 328.434 1.150 40 0 EDABMO O=C(c1cnccn1)N1C[C@@H]2C[N@@H+](Cc3cccc(F)c3)C[C@@H]2C1 ZINC000096110654 442036125 /nfs/dbraw/zinc/03/61/25/442036125.db2.gz RNVPWLOUXVSQCI-GASCZTMLSA-N 1 1 326.375 1.820 40 0 EDABMO Cc1csc(C[N@H+]2CC[C@@H]3[C@@H](CO[C@H]3Cc3nc(C)n[nH]3)C2)n1 ZINC000096220014 442092000 /nfs/dbraw/zinc/09/20/00/442092000.db2.gz BZNMKQHJFRURCD-MCIONIFRSA-N 1 1 333.461 1.958 40 0 EDABMO Cc1csc(C[N@@H+]2CC[C@@H]3[C@@H](CO[C@H]3Cc3nnc(C)[nH]3)C2)n1 ZINC000096220014 442092002 /nfs/dbraw/zinc/09/20/02/442092002.db2.gz BZNMKQHJFRURCD-MCIONIFRSA-N 1 1 333.461 1.958 40 0 EDABMO Cc1csc(C[N@H+]2CC[C@@H]3[C@@H](CO[C@H]3Cc3nnc(C)[nH]3)C2)n1 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Cn1cc(CN2CCO[C@@H]3C[N@@H+](Cc4ccccc4F)C[C@@H]3C2)cn1 ZINC000096108111 442032331 /nfs/dbraw/zinc/03/23/31/442032331.db2.gz KTXIYDHFYOEULE-PKOBYXMFSA-N 1 1 344.434 1.892 40 0 EDABMO Cn1cc(C[N@@H+]2CCO[C@@H]3CN(Cc4ccccc4F)C[C@@H]3C2)cn1 ZINC000096108111 442032332 /nfs/dbraw/zinc/03/23/32/442032332.db2.gz KTXIYDHFYOEULE-PKOBYXMFSA-N 1 1 344.434 1.892 40 0 EDABMO Cn1cc(C[N@H+]2CCO[C@@H]3CN(Cc4ccccc4F)C[C@@H]3C2)cn1 ZINC000096108111 442032334 /nfs/dbraw/zinc/03/23/34/442032334.db2.gz KTXIYDHFYOEULE-PKOBYXMFSA-N 1 1 344.434 1.892 40 0 EDABMO CO[C@H]1CCN(C(=O)c2ccnnc2)[C@@H]2C[N@@H+](Cc3ccco3)C[C@@H]21 ZINC000096109494 442034522 /nfs/dbraw/zinc/03/45/22/442034522.db2.gz DRYVMWKTCAFRAA-BBWFWOEESA-N 1 1 342.399 1.431 40 0 EDABMO O=C(c1ccco1)N1CC[N@H+]2C[C@H](OCc3ccccn3)C[C@H]2C1 ZINC000096183478 442056251 /nfs/dbraw/zinc/05/62/51/442056251.db2.gz NCOXARSEOWFLDD-JKSUJKDBSA-N 1 1 327.384 1.790 40 0 EDABMO c1nc2n(c1CNc1ccccn1)CC[N@H+](C[C@@H]1CCOC1)CC2 ZINC000096197122 442069959 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EDABMO Cc1cc(N(C)C)cc([C@H]2CN(C(=O)CN3CCCC3)CCO2)[nH+]1 ZINC000257282127 443129624 /nfs/dbraw/zinc/12/96/24/443129624.db2.gz OSKHJDMGSPUVKY-QGZVFWFLSA-N 1 1 332.448 1.452 40 0 EDABMO CNC(=O)[C@@H]1CN(C(C)=O)CC[N@@H+](Cc2cc3ccccc3s2)C1 ZINC000257330076 443150222 /nfs/dbraw/zinc/15/02/22/443150222.db2.gz XMRIWFWYQPPSMI-HNNXBMFYSA-N 1 1 345.468 1.928 40 0 EDABMO Cn1ccc(C(=O)N2CC[C@](O)(C[N@@H+](C)Cc3ccc(F)cc3)C2)n1 ZINC000257332738 443151348 /nfs/dbraw/zinc/15/13/48/443151348.db2.gz XYLXAAGXYHDAEI-SFHVURJKSA-N 1 1 346.406 1.268 40 0 EDABMO CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)[C@@H]([N@H+]2CCc3ccccc3C2)[C@@H]1O ZINC000257337789 443153927 /nfs/dbraw/zinc/15/39/27/443153927.db2.gz YUJRURRGAMIQQI-YYIAUSFCSA-N 1 1 348.443 1.432 40 0 EDABMO CC(C)NC(=O)c1nnc2n1C[C@@H]1C[N@H+](Cc3cccs3)C[C@H]1C2 ZINC000306140642 444287545 /nfs/dbraw/zinc/28/75/45/444287545.db2.gz UZKGBXJSARIRKO-OLZOCXBDSA-N 1 1 345.472 1.782 40 0 EDABMO CCn1cnnc1NC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000329134098 444480483 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339.407 1.490 40 0 EDABMO CC(=O)N1CC[NH+]([C@H]2CCC[C@@H](Oc3cccc(F)c3)[C@@H]2O)CC1 ZINC000585290139 448735569 /nfs/dbraw/zinc/73/55/69/448735569.db2.gz TVQAQQAHCYGZKI-RCCFBDPRSA-N 1 1 336.407 1.651 40 0 EDABMO CCOc1cc2c(cc1CN1C[C@@H]3C[C@@H](O)C[N@H+]3C[C@@H]1C)OCO2 ZINC000019532426 202009793 /nfs/dbraw/zinc/00/97/93/202009793.db2.gz QQOYLYKRYYEXNW-AEGPPILISA-N 1 1 334.416 1.453 40 0 EDABMO COCCNC(=O)c1cc([C@H]2CCC[N@@H+](Cc3ccccn3)C2)no1 ZINC000019593556 202015380 /nfs/dbraw/zinc/01/53/80/202015380.db2.gz SCLKXYONSMBJGZ-AWEZNQCLSA-N 1 1 344.415 1.825 40 0 EDABMO C[N@@H+]1CCC[C@@H]1c1nnc2n1CCN(C(=O)COc1ccccc1)C2 ZINC000019767313 202019590 /nfs/dbraw/zinc/01/95/90/202019590.db2.gz UIALVMIFEYXOHJ-OAHLLOKOSA-N 1 1 341.415 1.466 40 0 EDABMO C[N@H+]1CCC[C@@H]1c1nnc2n1CCN(C(=O)COc1ccccc1)C2 ZINC000019767313 202019591 /nfs/dbraw/zinc/01/95/91/202019591.db2.gz UIALVMIFEYXOHJ-OAHLLOKOSA-N 1 1 341.415 1.466 40 0 EDABMO C[NH+]1CCN(C(=O)Cc2cnc(-c3ccc(Cl)cc3)[nH]c2=O)CC1 ZINC000019937672 202027674 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O=C(C[N@H+]1CCC[C@H](c2nccnc2-n2ccnc2)C1)N1CCCC1 ZINC000072350551 203205254 /nfs/dbraw/zinc/20/52/54/203205254.db2.gz JLURXSQXUFARSW-HNNXBMFYSA-N 1 1 340.431 1.464 40 0 EDABMO COc1ncc(C[N@@H+]2CC[C@H](Oc3ccccc3)[C@@](C)(O)C2)cn1 ZINC000257258263 244287343 /nfs/dbraw/zinc/28/73/43/244287343.db2.gz KTAQDHZHNVBDAS-WMZOPIPTSA-N 1 1 329.400 1.890 40 0 EDABMO COc1ncc(C[N@H+]2CC[C@H](Oc3ccccc3)[C@@](C)(O)C2)cn1 ZINC000257258263 244287347 /nfs/dbraw/zinc/28/73/47/244287347.db2.gz KTAQDHZHNVBDAS-WMZOPIPTSA-N 1 1 329.400 1.890 40 0 EDABMO CS(=O)(=O)N1CCC([N@H+]2CCC[C@H](Cc3cccnc3)C2)CC1 ZINC000257265027 244358569 /nfs/dbraw/zinc/35/85/69/244358569.db2.gz LWZDBNYGPAQRPN-MRXNPFEDSA-N 1 1 337.489 1.760 40 0 EDABMO O=C(Cc1cccc(F)c1)N[C@@H]1CCC[C@@H]([NH+]2CCOCC2)[C@@H]1O ZINC000257275795 244392565 /nfs/dbraw/zinc/39/25/65/244392565.db2.gz NQXJNWDSVJMZPR-JFIYKMOQSA-N 1 1 336.407 1.099 40 0 EDABMO Cc1nc(CC(=O)N2CCO[C@@H](c3nc(C[NH+](C)C)c[nH]3)C2)cs1 ZINC000257277232 244399323 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KZQUASYJOVJAMA-IAGOWNOFSA-N 1 1 341.411 1.535 40 0 EDABMO Cn1cc(C[N@H+]2CC[C@@H]3O[C@@H](COCC4CCOCC4)CC[C@@H]32)cn1 ZINC000107206456 204228429 /nfs/dbraw/zinc/22/84/29/204228429.db2.gz LUYJVOSCPYODNM-QYZOEREBSA-N 1 1 349.475 1.985 40 0 EDABMO Cc1ncc(C[N@@H+]2CC[C@@H]3OCCN(Cc4ccncc4)[C@H]3C2)cn1 ZINC000108525311 204266036 /nfs/dbraw/zinc/26/60/36/204266036.db2.gz JMHSJSPXLLCROX-OALUTQOASA-N 1 1 339.443 1.655 40 0 EDABMO Cc1ncc(C[N@H+]2CC[C@@H]3OCCN(Cc4ccncc4)[C@H]3C2)cn1 ZINC000108525311 204266040 /nfs/dbraw/zinc/26/60/40/204266040.db2.gz JMHSJSPXLLCROX-OALUTQOASA-N 1 1 339.443 1.655 40 0 EDABMO CN(CC(N)=O)C[C@@H]1C[N@H+]([C@H]2CC[C@](C)(c3ccccc3)C2)CCO1 ZINC000276270847 273157135 /nfs/dbraw/zinc/15/71/35/273157135.db2.gz QULCQCPWLNULGV-NSHGMRRFSA-N 1 1 345.487 1.615 40 0 EDABMO CS(=O)(=O)N[C@@H]1CC2(CC[NH+](CCF)CC2)Oc2ccccc21 ZINC000096242737 278113857 /nfs/dbraw/zinc/11/38/57/278113857.db2.gz IFBGJMVAUHQJRQ-CQSZACIVSA-N 1 1 342.436 1.864 40 0 EDABMO C[N@@H+](CCCN(CCO)CCO)C1CC(C)(C)N(O)C(C)(C)C1 ZINC000001592895 440847599 /nfs/dbraw/zinc/84/75/99/440847599.db2.gz YHARYCPOYAZXML-UHFFFAOYSA-N 1 1 331.501 1.006 40 0 EDABMO CCn1cc(Br)c(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000002775173 440875437 /nfs/dbraw/zinc/87/54/37/440875437.db2.gz UMYSYTVSDANJMR-SNVBAGLBSA-N 1 1 327.226 1.586 40 0 EDABMO C/C=C1\C=C(\C)[C@](C)(O)C(=O)OCC2=CC[N@@H+]3CC[C@H](OC1=O)[C@@H]23 ZINC000005455678 440954733 /nfs/dbraw/zinc/95/47/33/440954733.db2.gz UAYZNOYHWPOXJQ-GQOGWMAVSA-N 1 1 333.384 1.113 40 0 EDABMO C/C=C1\C=C(\C)[C@](C)(O)C(=O)OCC2=CC[N@H+]3CC[C@H](OC1=O)[C@@H]23 ZINC000005455678 440954741 /nfs/dbraw/zinc/95/47/41/440954741.db2.gz UAYZNOYHWPOXJQ-GQOGWMAVSA-N 1 1 333.384 1.113 40 0 EDABMO O=C(Nc1cccnc1)[C@H]1COC[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]21 ZINC000097953536 441147841 /nfs/dbraw/zinc/14/78/41/441147841.db2.gz VUJVQSOBBSMSLU-NXHRZFHOSA-N 1 1 338.411 1.810 40 0 EDABMO CC(=O)Nc1ccc(NC(=O)C[C@@H]2[NH2+][C@@H]3CCCC[C@@H]3NC2=O)cc1 ZINC000017071852 441237174 /nfs/dbraw/zinc/23/71/74/441237174.db2.gz WSNLIHQOCSPKGG-PMPSAXMXSA-N 1 1 344.415 1.373 40 0 EDABMO CCN(c1ccc(C(=O)N2CC[NH+](CC)CC2)cc1)S(C)(=O)=O ZINC000026111468 441366944 /nfs/dbraw/zinc/36/69/44/441366944.db2.gz HDSKPDSWOMHTGO-UHFFFAOYSA-N 1 1 339.461 1.250 40 0 EDABMO CCOc1ccc([C@H]([NH3+])c2nc(Cn3cccn3)n[nH]2)cc1OCC ZINC000095534554 441953201 /nfs/dbraw/zinc/95/32/01/441953201.db2.gz YKLWCHHTJMWCLL-INIZCTEOSA-N 1 1 342.403 1.895 40 0 EDABMO c1cnc(N2CCC[C@]3(C2)C[N@@H+](CC2CCOCC2)CCO3)cn1 ZINC000096049174 441997488 /nfs/dbraw/zinc/99/74/88/441997488.db2.gz ADIGDUAVZNVRDR-GOSISDBHSA-N 1 1 332.448 1.574 40 0 EDABMO Cn1cccc1C[N@H+]1C[C@@H](C(=O)N2CC=CC2)C2(C1)CCOCC2 ZINC000096038487 441984041 /nfs/dbraw/zinc/98/40/41/441984041.db2.gz YIRGTZBWBDKQTH-KRWDZBQOSA-N 1 1 329.444 1.652 40 0 EDABMO CCc1ccc(C[N@H+]2C[C@H]3OCC[C@H]3[C@H](C(=O)N3CCOCC3)C2)o1 ZINC000096038875 441985298 /nfs/dbraw/zinc/98/52/98/441985298.db2.gz DXTCJFPVPICYGC-RCCFBDPRSA-N 1 1 348.443 1.538 40 0 EDABMO O=C(N[C@@H]1C[N@@H+](CC2CCCC2)C[C@@H]2CCCO[C@H]12)c1ccnnc1 ZINC000096040667 441986874 /nfs/dbraw/zinc/98/68/74/441986874.db2.gz QJNPWQUUAYKYIJ-KSZLIROESA-N 1 1 344.459 1.876 40 0 EDABMO Cn1cccc1C(=O)NC[C@H]1C[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]2O1 ZINC000096056670 442002626 /nfs/dbraw/zinc/00/26/26/442002626.db2.gz XMYFXQONUYUCQV-NUJGCVRESA-N 1 1 340.427 1.439 40 0 EDABMO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4ccco4)CCO[C@@H]3C2)cn1 ZINC000096055194 442003762 /nfs/dbraw/zinc/00/37/62/442003762.db2.gz PLPZOFLCLYPHJV-NVXWUHKLSA-N 1 1 344.415 1.376 40 0 EDABMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(=O)c4ccco4)CCO[C@@H]3C2)cn1 ZINC000096055194 442003764 /nfs/dbraw/zinc/00/37/64/442003764.db2.gz PLPZOFLCLYPHJV-NVXWUHKLSA-N 1 1 344.415 1.376 40 0 EDABMO Cc1ccc(NCc2cn3c(n2)C[N@@H+](C[C@@H]2CCOC2)CC3)nn1 ZINC000096068069 442015640 /nfs/dbraw/zinc/01/56/40/442015640.db2.gz INZXPQFLDNRGKA-AWEZNQCLSA-N 1 1 328.420 1.446 40 0 EDABMO Cc1ccc(NCc2cn3c(n2)C[N@H+](C[C@@H]2CCOC2)CC3)nn1 ZINC000096068069 442015646 /nfs/dbraw/zinc/01/56/46/442015646.db2.gz INZXPQFLDNRGKA-AWEZNQCLSA-N 1 1 328.420 1.446 40 0 EDABMO Cc1cccc(CN2CCO[C@H]3C[N@@H+](CC4CC4)CC[C@H]3C2=O)n1 ZINC000096107173 442030724 /nfs/dbraw/zinc/03/07/24/442030724.db2.gz DIWPGSJZCPEGGP-MSOLQXFVSA-N 1 1 329.444 1.849 40 0 EDABMO Cc1cc(C[N@@H+]2C[C@@H]3COC[C@]3(CNC(=O)c3ccco3)C2)no1 ZINC000096108455 442032600 /nfs/dbraw/zinc/03/26/00/442032600.db2.gz QKRSULPZTUAJLU-DYVFJYSZSA-N 1 1 331.372 1.454 40 0 EDABMO Cc1cc(C[N@H+]2C[C@@H]3COC[C@]3(CNC(=O)c3ccco3)C2)no1 ZINC000096108455 442032607 /nfs/dbraw/zinc/03/26/07/442032607.db2.gz QKRSULPZTUAJLU-DYVFJYSZSA-N 1 1 331.372 1.454 40 0 EDABMO O=C(NC[C@@H]1CCCO1)C1=NO[C@@]2(CC[N@H+](Cc3cccs3)C2)C1 ZINC000096225594 442093856 /nfs/dbraw/zinc/09/38/56/442093856.db2.gz JBVMSTKGWKDUET-GUYCJALGSA-N 1 1 349.456 1.764 40 0 EDABMO O=C(NC[C@@H]1CCCO1)C1=NO[C@@]2(CC[N@@H+](Cc3cccs3)C2)C1 ZINC000096225594 442093862 /nfs/dbraw/zinc/09/38/62/442093862.db2.gz JBVMSTKGWKDUET-GUYCJALGSA-N 1 1 349.456 1.764 40 0 EDABMO O=C(c1ccsc1)N1CCC2(C[C@H]([NH+]3CCOCC3)CO2)CC1 ZINC000096158667 442048150 /nfs/dbraw/zinc/04/81/50/442048150.db2.gz GNGZCFTVQGEONK-HNNXBMFYSA-N 1 1 336.457 1.844 40 0 EDABMO O=C(Cc1cccnc1)N1CCC[C@@]2(CC[N@H+]([C@@H]3CCOC3)C2)C1 ZINC000096158234 442048221 /nfs/dbraw/zinc/04/82/21/442048221.db2.gz ZWHQRVWQUIRWGC-MJGOQNOKSA-N 1 1 329.444 1.728 40 0 EDABMO Cn1cccc1C(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C)C1 ZINC000096185674 442059436 /nfs/dbraw/zinc/05/94/36/442059436.db2.gz MSARJDVDIABEKR-PMPSAXMXSA-N 1 1 327.432 1.457 40 0 EDABMO CN(C)C(=O)COCc1cncc2c1CC[N@@H+](C[C@H]1CCOC1)C2 ZINC000096189390 442067902 /nfs/dbraw/zinc/06/79/02/442067902.db2.gz GISQCAPUOAKJJJ-CQSZACIVSA-N 1 1 333.432 1.081 40 0 EDABMO CN1CCN(Cc2cnc3n2CC[N@@H+](Cc2cccnc2)CC3)CC1 ZINC000096196926 442070463 /nfs/dbraw/zinc/07/04/63/442070463.db2.gz YRNIBOIUBANRLO-UHFFFAOYSA-N 1 1 340.475 1.084 40 0 EDABMO CN1CCN(Cc2cnc3n2CC[N@H+](Cc2cccnc2)CC3)CC1 ZINC000096196926 442070468 /nfs/dbraw/zinc/07/04/68/442070468.db2.gz YRNIBOIUBANRLO-UHFFFAOYSA-N 1 1 340.475 1.084 40 0 EDABMO COCC[N@H+]1C[C@@H](C)[C@]2(C1)COCCN(C(=O)c1ccccn1)C2 ZINC000096202387 442079410 /nfs/dbraw/zinc/07/94/10/442079410.db2.gz BOLGGTMMNLLCDZ-QAPCUYQASA-N 1 1 333.432 1.139 40 0 EDABMO CC[N@H+]1C[C@H]2[C@@H](C1)N(S(=O)(=O)c1cccc(F)c1)CC[C@@H]2OC ZINC000096206847 442080757 /nfs/dbraw/zinc/08/07/57/442080757.db2.gz BQKVRDIQERJHLS-XHSDSOJGSA-N 1 1 342.436 1.555 40 0 EDABMO COC[C@@H]1CC2(C[N@H+]1C(C)C)CCN(S(=O)(=O)N(C)C)CC2 ZINC000096207620 442081760 /nfs/dbraw/zinc/08/17/60/442081760.db2.gz BIHQQYNDTYTDCV-AWEZNQCLSA-N 1 1 333.498 1.004 40 0 EDABMO COCC[N@H+]1CCOC[C@]2(CCCN(C(=O)Cc3ccccc3)C2)C1 ZINC000096228780 442095895 /nfs/dbraw/zinc/09/58/95/442095895.db2.gz FJHQJJFXCSKMDO-HXUWFJFHSA-N 1 1 346.471 1.817 40 0 EDABMO COCC[N@H+]1CCOC[C@]2(CCCN(C(=O)c3ccsc3)C2)C1 ZINC000096228784 442095909 /nfs/dbraw/zinc/09/59/09/442095909.db2.gz OTQMDMPZBGJLSE-QGZVFWFLSA-N 1 1 338.473 1.949 40 0 EDABMO O=C(C[C@H]1CO[C@@H]2C[N@@H+](Cc3ccncc3)C[C@H]12)N1CCCCO1 ZINC000096216818 442088084 /nfs/dbraw/zinc/08/80/84/442088084.db2.gz XLPYQFGLPDLJPA-GVDBMIGSSA-N 1 1 331.416 1.473 40 0 EDABMO O=C(C[C@@H]1CO[C@@H]2C[N@@H+](Cc3ccccn3)C[C@H]12)Nc1cnccn1 ZINC000096218917 442089355 /nfs/dbraw/zinc/08/93/55/442089355.db2.gz MNSMARJRVKGLSH-FVQBIDKESA-N 1 1 339.399 1.347 40 0 EDABMO c1ncc(N2CCOC[C@@]3(CCC[N@H+](C[C@H]4CCOC4)C3)C2)cn1 ZINC000247928468 442873397 /nfs/dbraw/zinc/87/33/97/442873397.db2.gz BMMGXVROIKTCOL-SJLPKXTDSA-N 1 1 332.448 1.432 40 0 EDABMO CCc1[nH+]ccn1CCC(=O)N1CCO[C@H](c2ccnc(C)n2)C1 ZINC000257298309 443136199 /nfs/dbraw/zinc/13/61/99/443136199.db2.gz RLDSEPYWYBBBRJ-HNNXBMFYSA-N 1 1 329.404 1.534 40 0 EDABMO CCCn1cc(C[N@H+]2CCOC[C@H](Cc3cc(=O)[nH]cn3)C2)cn1 ZINC000257310583 443141748 /nfs/dbraw/zinc/14/17/48/443141748.db2.gz UFTJSZKTLPRHQT-CQSZACIVSA-N 1 1 331.420 1.480 40 0 EDABMO CC(=O)N1CCC([N@H+]2CCN(C(C)=O)[C@H](c3ccccc3)C2)CC1 ZINC000257241921 443125842 /nfs/dbraw/zinc/12/58/42/443125842.db2.gz IAFZJQOPZUYITJ-IBGZPJMESA-N 1 1 329.444 1.903 40 0 EDABMO CNC(=O)[C@@H]1CN(C(=O)CCc2ccc(Cl)cc2)CC[N@@H+](C)C1 ZINC000257280901 443128211 /nfs/dbraw/zinc/12/82/11/443128211.db2.gz OMWAKZLMTJVHIH-AWEZNQCLSA-N 1 1 337.851 1.409 40 0 EDABMO O=C1CC[C@H]2[C@H](CC[N@H+]2Cc2ccco2)N1CCN1CCOCC1 ZINC000503867892 448106951 /nfs/dbraw/zinc/10/69/51/448106951.db2.gz WGVQRABWCFGWLP-IRXDYDNUSA-N 1 1 333.432 1.177 40 0 EDABMO CN(C)CC[N@@H+]1CCOCC2(CCN(C(=O)C3(F)CCC3)CC2)C1 ZINC000585102425 448686488 /nfs/dbraw/zinc/68/64/88/448686488.db2.gz FWRRRVKGAPYYDC-UHFFFAOYSA-N 1 1 341.471 1.381 40 0 EDABMO CN(C)CC[N@H+]1CCOCC2(CCN(C(=O)C3(F)CCC3)CC2)C1 ZINC000585102425 448686492 /nfs/dbraw/zinc/68/64/92/448686492.db2.gz FWRRRVKGAPYYDC-UHFFFAOYSA-N 1 1 341.471 1.381 40 0 EDABMO Cc1nc(C[NH+]2C[C@H]3CN(C(=O)c4conc4C)C[C@@H]3C2)cs1 ZINC000585107613 448687856 /nfs/dbraw/zinc/68/78/56/448687856.db2.gz TYAXWMJARFFPMB-STQMWFEESA-N 1 1 332.429 1.952 40 0 EDABMO 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EDABMO CN(C)C(=O)COC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1ccccn1)C2 ZINC000096039764 441984806 /nfs/dbraw/zinc/98/48/06/441984806.db2.gz IFWKTTDIVZIONC-MJGOQNOKSA-N 1 1 347.459 1.558 40 0 EDABMO O=C(NCc1cccnc1)[C@@H]1C[N@H+](C2CCOCC2)C[C@H]2OCC[C@H]21 ZINC000096038893 441985926 /nfs/dbraw/zinc/98/59/26/441985926.db2.gz JCGNFNBWOXJCNW-RCCFBDPRSA-N 1 1 345.443 1.214 40 0 EDABMO O=C(NCc1ccccn1)[C@H]1COC[C@H]2C[N@H+](C3CCCC3)C[C@H]21 ZINC000096040773 441986604 /nfs/dbraw/zinc/98/66/04/441986604.db2.gz ALEVIEQKXNOXHR-OLMNPRSZSA-N 1 1 329.444 1.835 40 0 EDABMO O=C(COC[C@]12CCCO[C@H]1CC[N@@H+](CC1CC1)C2)N1CCCC1 ZINC000096039969 441987151 /nfs/dbraw/zinc/98/71/51/441987151.db2.gz OWTXZAFORVWWQQ-PKOBYXMFSA-N 1 1 336.476 1.907 40 0 EDABMO Cc1cccc(C[N@H+]2C[C@@H](C(=O)N3CCCO3)C[C@H]3OCC[C@H]32)n1 ZINC000096041264 441987728 /nfs/dbraw/zinc/98/77/28/441987728.db2.gz KXFABPDNEAYGAL-USXIJHARSA-N 1 1 331.416 1.533 40 0 EDABMO O=C([C@H]1C[C@H]2OCC[C@H]2[N@@H+](CCc2ccccc2)C1)N1CCCO1 ZINC000096041266 441988481 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/nfs/dbraw/zinc/59/98/26/218599826.db2.gz PDFHZYLWCXUQSG-BBRMVZONSA-N 1 1 339.461 1.290 40 0 EDABMO COc1ccc(Cn2nnnc2[C@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000020098540 295147432 /nfs/dbraw/zinc/14/74/32/295147432.db2.gz MMEHLEYKIAOWSW-KRWDZBQOSA-N 1 1 344.463 1.675 40 0 EDABMO Cc1cc(N2CCN(C=O)CC2)[nH+]cc1CNC(=O)OC(C)(C)C ZINC000072223676 441207245 /nfs/dbraw/zinc/20/72/45/441207245.db2.gz SURKFAZHNQPSDB-UHFFFAOYSA-N 1 1 334.420 1.693 40 0 EDABMO O=S(=O)(c1cnccc1SCc1ccccc1)N1CC[NH2+]CC1 ZINC000072210661 441207378 /nfs/dbraw/zinc/20/73/78/441207378.db2.gz DUMRBUVDUZYIAT-UHFFFAOYSA-N 1 1 349.481 1.968 40 0 EDABMO C[N@H+]1CCC[C@H](c2nnc3n2CCN(C(=O)c2ccccc2)C3)C1 ZINC000019752321 441259840 /nfs/dbraw/zinc/25/98/40/441259840.db2.gz HMBKYHWRTOEBEZ-HNNXBMFYSA-N 1 1 325.416 1.743 40 0 EDABMO O=C(Cc1cccnc1)N1CCC[C@]2(CC[N@H+]([C@H]3CCOC3)C2)C1 ZINC000107191953 441402761 /nfs/dbraw/zinc/40/27/61/441402761.db2.gz ZWHQRVWQUIRWGC-PKOBYXMFSA-N 1 1 329.444 1.728 40 0 EDABMO Cn1cncc1C[N@H+]1CC[C@@]2(CCC[C@@H]2C(=O)N2CC(F)(F)C2)C1 ZINC000108536526 441461571 /nfs/dbraw/zinc/46/15/71/441461571.db2.gz MGADSNVINHDKGA-ZBFHGGJFSA-N 1 1 338.402 1.890 40 0 EDABMO CN1CC(=O)N(c2ccccc2)C[C@]12CC[N@@H+](CC1CCOCC1)C2 ZINC000096050234 441999379 /nfs/dbraw/zinc/99/93/79/441999379.db2.gz RGHOWEKPQNPTSU-HXUWFJFHSA-N 1 1 343.471 1.836 40 0 EDABMO Cc1ccc(C[N@H+]2CCN(C(=O)NC(C)C)C[C@@]3(CNC(=O)C3)C2)o1 ZINC000096035994 441984321 /nfs/dbraw/zinc/98/43/21/441984321.db2.gz ODTLKZBWXJTUFG-SFHVURJKSA-N 1 1 348.447 1.330 40 0 EDABMO Cc1ccc(C[N@@H+]2CCN(C(=O)NC(C)C)C[C@@]3(CNC(=O)C3)C2)o1 ZINC000096035994 441984322 /nfs/dbraw/zinc/98/43/22/441984322.db2.gz ODTLKZBWXJTUFG-SFHVURJKSA-N 1 1 348.447 1.330 40 0 EDABMO O=C(NCc1ccccn1)[C@H]1COC[C@H]2C[N@@H+](Cc3ccoc3)C[C@H]21 ZINC000096040770 441987162 /nfs/dbraw/zinc/98/71/62/441987162.db2.gz HOXILZGUQRTINF-NXHRZFHOSA-N 1 1 341.411 1.685 40 0 EDABMO O=C(CO[C@@H]1C[N@H+](Cc2ccccn2)[C@@H]2CCCO[C@H]12)N1CCCC1 ZINC000096042417 441990116 /nfs/dbraw/zinc/99/01/16/441990116.db2.gz QEQVGQABPGYXRW-LMMKCTJWSA-N 1 1 345.443 1.452 40 0 EDABMO O=C(CO[C@@H]1C[N@@H+](Cc2ccccn2)[C@@H]2CCCO[C@H]12)N1CCCC1 ZINC000096042417 441990120 /nfs/dbraw/zinc/99/01/20/441990120.db2.gz QEQVGQABPGYXRW-LMMKCTJWSA-N 1 1 345.443 1.452 40 0 EDABMO O=C(C[C@@H]1COC[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]21)N1CCCC1 ZINC000096057213 442005538 /nfs/dbraw/zinc/00/55/38/442005538.db2.gz QVNLKOPCZWCBAT-KURKYZTESA-N 1 1 329.444 1.789 40 0 EDABMO Cn1cccc1C(=O)N[C@@H]1C[N@H+](Cc2ccncc2)[C@@H]2CCCO[C@H]12 ZINC000096056336 442003339 /nfs/dbraw/zinc/00/33/39/442003339.db2.gz XWEIOHSQEXOCJM-JFIYKMOQSA-N 1 1 340.427 1.582 40 0 EDABMO Cn1cccc1C(=O)N[C@@H]1C[N@@H+](Cc2ccncc2)[C@@H]2CCCO[C@H]12 ZINC000096056336 442003346 /nfs/dbraw/zinc/00/33/46/442003346.db2.gz XWEIOHSQEXOCJM-JFIYKMOQSA-N 1 1 340.427 1.582 40 0 EDABMO O=C(NCc1ccco1)[C@@H]1C[N@H+](C2CCOCC2)C[C@H]2OCC[C@H]21 ZINC000096064905 442012643 /nfs/dbraw/zinc/01/26/43/442012643.db2.gz AUIAHAOEHJVISE-GVDBMIGSSA-N 1 1 334.416 1.412 40 0 EDABMO Cc1noc(C)c1C[N@@H+]1C[C@@H]2CCN(c3cnn(C)c3)C(=O)[C@@H]2C1 ZINC000096082120 442023717 /nfs/dbraw/zinc/02/37/17/442023717.db2.gz CBHZPXCVQQMGKM-XJKSGUPXSA-N 1 1 329.404 1.510 40 0 EDABMO COCC(=O)NC[C@]12COC[C@H]1C[N@@H+](Cc1cccc(Cl)c1)C2 ZINC000096108406 442032264 /nfs/dbraw/zinc/03/22/64/442032264.db2.gz BQJZDNWIPGMZQC-PBHICJAKSA-N 1 1 338.835 1.551 40 0 EDABMO COCC[N@H+]1C[C@H]2[C@@H](C1)N(C(=O)c1cccc(C)n1)CC[C@@H]2OC ZINC000096109426 442035279 /nfs/dbraw/zinc/03/52/79/442035279.db2.gz VWLHPJPLBRLNHT-UAGQMJEPSA-N 1 1 333.432 1.198 40 0 EDABMO O=C(NC1CC(F)(F)C1)[C@]12COC[C@H]1C[N@@H+](CC1CCOCC1)C2 ZINC000096110148 442036070 /nfs/dbraw/zinc/03/60/70/442036070.db2.gz YGFXUSLYDMUZIP-CZUORRHYSA-N 1 1 344.402 1.275 40 0 EDABMO Cn1cncc1CN1CC[C@]2(C[C@H]([N@@H+](C)Cc3ccccn3)CO2)C1 ZINC000096219871 442092115 /nfs/dbraw/zinc/09/21/15/442092115.db2.gz GUCJFYMYHMPERK-HKUYNNGSSA-N 1 1 341.459 1.681 40 0 EDABMO O=C(NCc1ccco1)C1=NO[C@]2(CC[N@H+](Cc3ccco3)C2)C1 ZINC000096225838 442093776 /nfs/dbraw/zinc/09/37/76/442093776.db2.gz ASESIOHCQKARGM-QGZVFWFLSA-N 1 1 329.356 1.910 40 0 EDABMO O=C(NCc1ccco1)C1=NO[C@]2(CC[N@@H+](Cc3ccco3)C2)C1 ZINC000096225838 442093786 /nfs/dbraw/zinc/09/37/86/442093786.db2.gz ASESIOHCQKARGM-QGZVFWFLSA-N 1 1 329.356 1.910 40 0 EDABMO O=C(c1cnccn1)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000096157413 442048632 /nfs/dbraw/zinc/04/86/32/442048632.db2.gz JLAKJVLUNAJQOV-UHFFFAOYSA-N 1 1 337.427 2.000 40 0 EDABMO O=C(c1cnccn1)N1CCC[C@@]2(CC[N@H+](C3CCOCC3)C2)C1 ZINC000096158210 442048715 /nfs/dbraw/zinc/04/87/15/442048715.db2.gz AWZHRQIPQZFLSX-SFHVURJKSA-N 1 1 330.432 1.584 40 0 EDABMO O=C(NCC1CCOCC1)[C@H]1C[C@H]2[C@H](CC[N@H+]2Cc2ccccn2)O1 ZINC000096183669 442057422 /nfs/dbraw/zinc/05/74/22/442057422.db2.gz CRLASLOQRKQWNH-OKZBNKHCSA-N 1 1 345.443 1.356 40 0 EDABMO Cc1nc(CN2CCOC[C@@]3(CCC[N@@H+](CCO)C3)C2)cs1 ZINC000096229367 442096325 /nfs/dbraw/zinc/09/63/25/442096325.db2.gz MWXRMNHHFDNOFY-MRXNPFEDSA-N 1 1 325.478 1.358 40 0 EDABMO Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CO[C@@H]3CNS(C)(=O)=O)C2)s1 ZINC000096187314 442064680 /nfs/dbraw/zinc/06/46/80/442064680.db2.gz QRIUNJYFLVQYFB-BPLDGKMQSA-N 1 1 344.502 1.443 40 0 EDABMO COc1ccc(C[N@H+]2C[C@@H]3COC[C@]3(CC(=O)N3CCCO3)C2)cc1 ZINC000096208544 442083824 /nfs/dbraw/zinc/08/38/24/442083824.db2.gz YLOAUBKYKDGYPD-APWZRJJASA-N 1 1 346.427 1.698 40 0 EDABMO O=C(C[C@]12COC[C@H]1C[N@@H+](CC1CCCCC1)C2)N1CCOCC1 ZINC000096217436 442087909 /nfs/dbraw/zinc/08/79/09/442087909.db2.gz PILDKYMWMUAANR-MJGOQNOKSA-N 1 1 336.476 1.764 40 0 EDABMO COCC(=O)N1CCC2(C[C@@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC000096240371 442099755 /nfs/dbraw/zinc/09/97/55/442099755.db2.gz WWLVRCUUBJBFFF-KRWDZBQOSA-N 1 1 347.459 1.558 40 0 EDABMO Cc1cc(C)cc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3CC(=O)N(C)C)c1 ZINC000096248692 442101467 /nfs/dbraw/zinc/10/14/67/442101467.db2.gz BASKKUFOZIKCNJ-MSOLQXFVSA-N 1 1 331.460 1.277 40 0 EDABMO C[C@H](Cc1ccc2c(c1)OCO2)CN1C[C@H]2C[C@@H](O)C[N@H+]2C[C@H]1C ZINC000248139632 442883697 /nfs/dbraw/zinc/88/36/97/442883697.db2.gz BEERMGACMMQTOF-MUIFIZLQSA-N 1 1 332.444 1.733 40 0 EDABMO C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1C[C@H]2C[C@@H](O)CN2C[C@H]1C ZINC000248139632 442883704 /nfs/dbraw/zinc/88/37/04/442883704.db2.gz BEERMGACMMQTOF-MUIFIZLQSA-N 1 1 332.444 1.733 40 0 EDABMO C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1C[C@H]2C[C@@H](O)CN2C[C@H]1C ZINC000248139632 442883708 /nfs/dbraw/zinc/88/37/08/442883708.db2.gz BEERMGACMMQTOF-MUIFIZLQSA-N 1 1 332.444 1.733 40 0 EDABMO COc1ncccc1C(=O)NCc1cnc(C)nc1[C@H]1CCC[N@H+]1C ZINC000257312615 443143420 /nfs/dbraw/zinc/14/34/20/443143420.db2.gz UOUIXOPXTNKLGQ-OAHLLOKOSA-N 1 1 341.415 1.885 40 0 EDABMO CNC(=O)[C@@H](CC(C)C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CO)CC(C)C ZINC000225400749 443100838 /nfs/dbraw/zinc/10/08/38/443100838.db2.gz XGTNPKGGUZNOFV-OWCLPIDISA-N 1 1 341.496 1.135 40 0 biogenic,in-vitro EDABMO CNC(=O)[C@@H](CC(C)C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](CO)CC(C)C ZINC000225400749 443100842 /nfs/dbraw/zinc/10/08/42/443100842.db2.gz XGTNPKGGUZNOFV-OWCLPIDISA-N 1 1 341.496 1.135 40 0 biogenic,in-vitro EDABMO CCn1cc(C(=O)N2C[C@@H](O)[C@H]([NH+]3CCC(F)(F)CC3)C2)c(C)n1 ZINC000257283601 443130655 /nfs/dbraw/zinc/13/06/55/443130655.db2.gz OYYDZURNXBZNBC-ZIAGYGMSSA-N 1 1 342.390 1.128 40 0 EDABMO CNc1cc(CC[C@H]2CN(C(=O)CCn3ccnc3)CCO2)cc[nH+]1 ZINC000257334715 443152162 /nfs/dbraw/zinc/15/21/62/443152162.db2.gz YHBVBHPALBUOIJ-INIZCTEOSA-N 1 1 343.431 1.570 40 0 EDABMO CCc1[nH+]ccn1CC(=O)NCc1ccnc([C@@H]2CCCOC2)n1 ZINC000257335774 443153052 /nfs/dbraw/zinc/15/30/52/443153052.db2.gz YLUMQFICPNCERN-CYBMUJFWSA-N 1 1 329.404 1.446 40 0 EDABMO Cn1nccc1C(=O)NC[C@H]1CO[C@@H]2C[N@@H+](Cc3cccs3)C[C@H]12 ZINC000306126291 444285335 /nfs/dbraw/zinc/28/53/35/444285335.db2.gz DRSXUXDPCOCTEW-JGGQBBKZSA-N 1 1 346.456 1.358 40 0 EDABMO O=C(C[N@H+]1C[C@H]2OC[C@H](CNc3ccccn3)[C@H]2C1)N1CCCC1 ZINC000306128435 444285828 /nfs/dbraw/zinc/28/58/28/444285828.db2.gz HAHDKQPVWUMAGX-ARFHVFGLSA-N 1 1 330.432 1.063 40 0 EDABMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCCc1ccc(Cl)cc1 ZINC000298131334 444424508 /nfs/dbraw/zinc/42/45/08/444424508.db2.gz HORVRAYTLFDCPX-HNNXBMFYSA-N 1 1 337.851 1.599 40 0 EDABMO CC(C)Nc1nc(N2CCc3ccc(S(N)(=O)=O)cc3C2)cc[nH+]1 ZINC000329057831 444460855 /nfs/dbraw/zinc/46/08/55/444460855.db2.gz WAOSJCRISVGNCL-UHFFFAOYSA-N 1 1 347.444 1.507 40 0 EDABMO CC(C)C[N@H+]1C[C@@H]2C[C@@H](O)CN2C2(CN(Cc3ccccc3)C2)C1 ZINC000514289247 448160248 /nfs/dbraw/zinc/16/02/48/448160248.db2.gz KEDLPAINEUOVJI-RBUKOAKNSA-N 1 1 329.488 1.648 40 0 biogenic,in-vitro EDABMO C[N@@H+](CCc1ccccc1)C[C@@H]1OC[C@H](NC(=O)C2CCC2)[C@H]1O ZINC000514288827 448161159 /nfs/dbraw/zinc/16/11/59/448161159.db2.gz FQDBGLXPHGLBJX-OKZBNKHCSA-N 1 1 332.444 1.206 40 0 biogenic,in-vitro EDABMO CC(C)C[N@H+]1CCC[C@]2(CCC(=O)N2CCS(C)(=O)=O)CC1 ZINC000585100618 448685522 /nfs/dbraw/zinc/68/55/22/448685522.db2.gz QGJQULHZGFFOKU-INIZCTEOSA-N 1 1 330.494 1.534 40 0 EDABMO CCC[N@H+]1CCO[C@]2(C1)COCCN(C(=O)c1ccnc(F)c1)C2 ZINC000585101549 448685598 /nfs/dbraw/zinc/68/55/98/448685598.db2.gz QPNKOJYJNFNYBN-KRWDZBQOSA-N 1 1 337.395 1.174 40 0 EDABMO CCOC[C@H]1C[N@@H+](C)C2(CN(C(=O)COc3ccccc3OC)C2)C1 ZINC000585093915 448677454 /nfs/dbraw/zinc/67/74/54/448677454.db2.gz PEYUCRFYMHRUNU-OAHLLOKOSA-N 1 1 348.443 1.643 40 0 EDABMO COC[C@@H]1C[N@H+](C)C2(CN(S(=O)(=O)c3ccccc3F)C2)C1 ZINC000585093889 448677883 /nfs/dbraw/zinc/67/78/83/448677883.db2.gz NAEZNCHXXORXQG-LBPRGKRZSA-N 1 1 328.409 1.167 40 0 EDABMO COC[C@@H]1C[N@@H+](C)C2(CN(S(=O)(=O)c3ccccc3F)C2)C1 ZINC000585093889 448677889 /nfs/dbraw/zinc/67/78/89/448677889.db2.gz NAEZNCHXXORXQG-LBPRGKRZSA-N 1 1 328.409 1.167 40 0 EDABMO CNC(=O)C[C@@]1(COC)CCC[N@H+]1Cc1cnn2c1nc(C)cc2C ZINC000585279026 448727895 /nfs/dbraw/zinc/72/78/95/448727895.db2.gz RZGARMXNFFPXML-GOSISDBHSA-N 1 1 345.447 1.463 40 0 EDABMO CC(=O)N1CC[N@H+](C2CCC2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000585282037 448730423 /nfs/dbraw/zinc/73/04/23/448730423.db2.gz WRZFPNUZKZFZGD-IBGZPJMESA-N 1 1 332.444 1.822 40 0 EDABMO CN(C)c1cccc([C@H]2CN(C(=O)C[N@@H+](C)C3CCCC3)CCO2)n1 ZINC000257245269 536151769 /nfs/dbraw/zinc/15/17/69/536151769.db2.gz IOSLZHZKLFFARU-QGZVFWFLSA-N 1 1 346.475 1.922 40 0 EDABMO Cc1ncsc1C[N@H+]1C[C@H]2OCC[C@H]2[C@H](C(=O)N2CCCC2)C1 ZINC000097953395 219063573 /nfs/dbraw/zinc/06/35/73/219063573.db2.gz RSVGCRCRZQLNHO-RRFJBIMHSA-N 1 1 335.473 1.911 40 0 EDABMO CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC(=O)NCc1ccc(F)cc1 ZINC000004411059 210188952 /nfs/dbraw/zinc/18/89/52/210188952.db2.gz CMQKFRXCWMINRL-AYHJJNSGSA-N 1 1 347.434 1.964 40 0 EDABMO CCN1c2ccc(S(=O)(=O)N3CC[NH2+]CC3)c3cccc(c23)C1=O ZINC000036533828 213099169 /nfs/dbraw/zinc/09/91/69/213099169.db2.gz WYFBHGQNVQPGGT-UHFFFAOYSA-N 1 1 345.424 1.414 40 0 EDABMO CNc1ccc(C[C@H]2CCC[N@@H+](Cc3cnc(NC)nc3)C2)nn1 ZINC000072369275 216175634 /nfs/dbraw/zinc/17/56/34/216175634.db2.gz RNPHSXXNERAOHS-CYBMUJFWSA-N 1 1 327.436 1.805 40 0 EDABMO C[N@H+]1CCC[C@H](c2nnc3n2CCN(C(=O)c2cscn2)CC3)C1 ZINC000072368624 216176461 /nfs/dbraw/zinc/17/64/61/216176461.db2.gz LDKYONWRRFTEPD-LBPRGKRZSA-N 1 1 346.460 1.242 40 0 EDABMO CO[C@@H]1C=C[C@]23c4cc5c(cc4[C@H](O)O[C@@H]2C[N@H+](C)[C@H]3C1)OCO5 ZINC000073336757 216379519 /nfs/dbraw/zinc/37/95/19/216379519.db2.gz KLJOYDMUWKSYBP-BTLOSHPOSA-N 1 1 331.368 1.332 40 0 EDABMO Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3cccc(F)c3)C2(CN)C[NH3+])cc1 ZINC000218455310 241324397 /nfs/dbraw/zinc/32/43/97/241324397.db2.gz NXXLAGDSIPPKEW-DLBZAZTESA-N 1 1 348.443 1.978 40 0 EDABMO O=C(/C=C/c1ccncc1)N1C[C@@H](O)[C@H]([NH+]2CCC(F)(F)CC2)C1 ZINC000257205156 244131222 /nfs/dbraw/zinc/13/12/22/244131222.db2.gz AXWPMOBCXACQOR-RIVGAVQESA-N 1 1 337.370 1.398 40 0 EDABMO Cc1noc(C2CN(C(=O)c3cc([C@@H]4CCC[N@@H+]4C)ccn3)C2)n1 ZINC000257204038 244127563 /nfs/dbraw/zinc/12/75/63/244127563.db2.gz ASUFMZMABJKLST-HNNXBMFYSA-N 1 1 327.388 1.779 40 0 EDABMO O=C1CO[C@H]2C[N@@H+](CCCc3ccccc3)C[C@@H]2N1C1CCOCC1 ZINC000257227459 244204623 /nfs/dbraw/zinc/20/46/23/244204623.db2.gz FPKCINSOCXOXAJ-OALUTQOASA-N 1 1 344.455 1.710 40 0 EDABMO O=C(Cc1ccc2c(c1)CCC2)N1CC[C@](O)(C[NH+]2CCOCC2)C1 ZINC000257251385 244270989 /nfs/dbraw/zinc/27/09/89/244270989.db2.gz JQNKFZPLGAYYQX-FQEVSTJZSA-N 1 1 344.455 1.013 40 0 EDABMO CNc1cc(CC[C@H]2CN(C(=O)Cc3cccnc3)CCO2)cc[nH+]1 ZINC000257270453 244375787 /nfs/dbraw/zinc/37/57/87/244375787.db2.gz MUHDCKHEWKKKAE-KRWDZBQOSA-N 1 1 340.427 1.921 40 0 EDABMO CN(C)c1cc(CC[C@H]2C[N@@H+](CC3(O)CCOCC3)CCO2)ccn1 ZINC000257277070 244394239 /nfs/dbraw/zinc/39/42/39/244394239.db2.gz NWHZTUYYFXRFCG-KRWDZBQOSA-N 1 1 349.475 1.323 40 0 EDABMO Cc1c(C[N@H+]2CCC[C@@H](NC(=O)c3cnccn3)CC2)cnn1C ZINC000019745554 212060133 /nfs/dbraw/zinc/06/01/33/212060133.db2.gz ATEAFWUYGHWVAS-OAHLLOKOSA-N 1 1 328.420 1.303 40 0 EDABMO Cc1cnc(C(=O)N2CCC[C@@H](c3cc(C[NH+](C)C)n(C)n3)C2)cn1 ZINC000019709041 212056011 /nfs/dbraw/zinc/05/60/11/212056011.db2.gz NPKADJOCXQCEHB-CQSZACIVSA-N 1 1 342.447 1.600 40 0 EDABMO O=C(C[N@@H+]1CCC[C@@]2(C1)CNC(=O)c1ccccc1O2)N1CCCC1 ZINC000012087281 211288613 /nfs/dbraw/zinc/28/86/13/211288613.db2.gz BAFZXRPGOBCTRG-IBGZPJMESA-N 1 1 343.427 1.266 40 0 EDABMO O=C(C[N@H+]1CCC[C@@]2(C1)CNC(=O)c1ccccc1O2)N1CCCC1 ZINC000012087281 211288617 /nfs/dbraw/zinc/28/86/17/211288617.db2.gz BAFZXRPGOBCTRG-IBGZPJMESA-N 1 1 343.427 1.266 40 0 EDABMO O=C([C@@H]1CCOC1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccn1)C2 ZINC000096158071 218631882 /nfs/dbraw/zinc/63/18/82/218631882.db2.gz UIVVIMRXKUMEGD-VQIMIIECSA-N 1 1 329.444 1.933 40 0 EDABMO Cc1ccc(C(=O)N2CCOC[C@]3(CC[N@H+](C4CCOCC4)C3)C2)o1 ZINC000096202059 292058973 /nfs/dbraw/zinc/05/89/73/292058973.db2.gz JFYNYOXYMLFVGP-IBGZPJMESA-N 1 1 348.443 1.932 40 0 EDABMO COCC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H]1Cc1ccccc1 ZINC000096200817 292178121 /nfs/dbraw/zinc/17/81/21/292178121.db2.gz CXDHNZCYELUULS-MSOLQXFVSA-N 1 1 331.460 1.092 40 0 EDABMO COc1ccc2c3c1O[C@H]1[C@@]34CC[N@@H+](C)[C@@H](C2)[C@H]4C[C@@H](O)[C@@]1(C)O ZINC000004972554 295278630 /nfs/dbraw/zinc/27/86/30/295278630.db2.gz FDQOEXDFLWOOAL-LJAFWFKGSA-N 1 1 331.412 1.086 40 0 EDABMO Cc1ccccc1C[N@H+]1CCc2nc(N3CCOCC3)[nH]c(=O)c2C1 ZINC000012185057 441128333 /nfs/dbraw/zinc/12/83/33/441128333.db2.gz IWRYCZXEPCAXQT-UHFFFAOYSA-N 1 1 340.427 1.473 40 0 EDABMO CC1CCC([N@H+]2CCc3nc(N4CCOCC4)[nH]c(=O)c3C2)CC1 ZINC000019495956 441257725 /nfs/dbraw/zinc/25/77/25/441257725.db2.gz XPADKAORJITTIO-UHFFFAOYSA-N 1 1 332.448 1.543 40 0 EDABMO Cc1ccccc1CSCC(=O)NCCC[NH+]1CCN(C)CC1 ZINC000022829334 441285769 /nfs/dbraw/zinc/28/57/69/441285769.db2.gz FRQIAEJKKUQCHM-UHFFFAOYSA-N 1 1 335.517 1.982 40 0 EDABMO C[C@@H]1C[C@@H]1C(=O)N1CCC2(C[N@@H+](CC3CC3)C[C@]23CCNC3=O)CC1 ZINC000107248073 441405768 /nfs/dbraw/zinc/40/57/68/441405768.db2.gz QHSLJJPWIBWKND-IIMJZQEZSA-N 1 1 345.487 1.483 40 0 EDABMO CC[NH+]1CCN(C(=O)C[C@H]2SC(=O)N(c3ccccc3)C2=O)CC1 ZINC000036635259 441608517 /nfs/dbraw/zinc/60/85/17/441608517.db2.gz GTAPPDVGJMZUPO-CQSZACIVSA-N 1 1 347.440 1.809 40 0 EDABMO CC[NH+]1CCN(C(=O)c2ccc(NS(C)(=O)=O)cc2Cl)CC1 ZINC000113948401 441629554 /nfs/dbraw/zinc/62/95/54/441629554.db2.gz PIYCTACORRUUKD-UHFFFAOYSA-N 1 1 345.852 1.489 40 0 EDABMO CC(C)[N@@H+](C)C[C@@H]1CO[C@]2(C1)COCCN(C(=O)c1ccco1)C2 ZINC000096051998 441999309 /nfs/dbraw/zinc/99/93/09/441999309.db2.gz DBNNYZRQMQWHPH-QAPCUYQASA-N 1 1 336.432 1.868 40 0 EDABMO c1cn(C[C@@H]2CO[C@@]3(C2)COCC[N@H+](Cc2ccncc2)C3)cn1 ZINC000096052078 442001323 /nfs/dbraw/zinc/00/13/23/442001323.db2.gz HDCCXLJQVUTURN-QZTJIDSGSA-N 1 1 328.416 1.586 40 0 EDABMO c1cn(C[C@@H]2CO[C@@]3(C2)COCC[N@@H+](Cc2ccncc2)C3)cn1 ZINC000096052078 442001327 /nfs/dbraw/zinc/00/13/27/442001327.db2.gz HDCCXLJQVUTURN-QZTJIDSGSA-N 1 1 328.416 1.586 40 0 EDABMO c1cc(C[N@H+]2CCOC[C@@]3(CC[C@H](CN4CCOCC4)O3)C2)ccn1 ZINC000096052368 442001737 /nfs/dbraw/zinc/00/17/37/442001737.db2.gz ZIUIARWBNQZANO-RTBURBONSA-N 1 1 347.459 1.164 40 0 EDABMO c1cc(C[N@@H+]2CCOC[C@@]3(CC[C@H](CN4CCOCC4)O3)C2)ccn1 ZINC000096052368 442001745 /nfs/dbraw/zinc/00/17/45/442001745.db2.gz ZIUIARWBNQZANO-RTBURBONSA-N 1 1 347.459 1.164 40 0 EDABMO O=C(NCc1ccco1)[C@H]1C[N@H+](C2CCOCC2)C[C@H]2OCC[C@H]21 ZINC000096041182 441988239 /nfs/dbraw/zinc/98/82/39/441988239.db2.gz AUIAHAOEHJVISE-YESZJQIVSA-N 1 1 334.416 1.412 40 0 EDABMO O=C([C@H]1C[C@H]2OCC[C@H]2[N@@H+](Cc2ccncc2)C1)N1CCCCO1 ZINC000096057677 442005206 /nfs/dbraw/zinc/00/52/06/442005206.db2.gz JPDLEPKONBTLKP-GVDBMIGSSA-N 1 1 331.416 1.615 40 0 EDABMO CCOC(=O)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@@H+](CC1CC1)CCC2 ZINC000096056067 442003081 /nfs/dbraw/zinc/00/30/81/442003081.db2.gz BTEHKVUHOKJDSE-LPHOPBHVSA-N 1 1 344.459 1.968 40 0 EDABMO Cc1ccc(C[N@H+]2CC[C@H]3OCC[C@@H](C(=O)N4CCCO4)[C@H]3C2)o1 ZINC000096066426 442013835 /nfs/dbraw/zinc/01/38/35/442013835.db2.gz LCVNFUIXFFWQCI-BRWVUGGUSA-N 1 1 334.416 1.979 40 0 EDABMO O=C(NCc1cccnc1)C1=NO[C@]2(CC[N@@H+](CC3CCC3)C2)C1 ZINC000096074530 442019795 /nfs/dbraw/zinc/01/97/95/442019795.db2.gz DDFZJAKPXHWVNY-GOSISDBHSA-N 1 1 328.416 1.719 40 0 EDABMO CN(C)C(=O)NC[C@]12COC[C@H]1C[N@@H+](Cc1ccc3c(c1)OCO3)C2 ZINC000096108296 442032216 /nfs/dbraw/zinc/03/22/16/442032216.db2.gz FZPFJNPSYDZOKI-KDOFPFPSSA-N 1 1 347.415 1.135 40 0 EDABMO O=S(=O)(C1CC1)N1CCO[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC000096108047 442032374 /nfs/dbraw/zinc/03/23/74/442032374.db2.gz RTSZAEHABYWZDC-IUODEOHRSA-N 1 1 342.486 1.373 40 0 EDABMO O=S(=O)(C1CC1)N1CCO[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC000096108047 442032377 /nfs/dbraw/zinc/03/23/77/442032377.db2.gz RTSZAEHABYWZDC-IUODEOHRSA-N 1 1 342.486 1.373 40 0 EDABMO CC(=O)N1CCC([N@@H+]2C[C@@H]3C[C@H]2C(=O)N(C)c2ccccc2O3)CC1 ZINC000096111917 442035790 /nfs/dbraw/zinc/03/57/90/442035790.db2.gz GQGQKWBUQVFQRW-RDJZCZTQSA-N 1 1 343.427 1.496 40 0 biogenic,in-vitro EDABMO CN(Cc1ccccn1)C(=O)c1[nH]nc2c1C[N@@H+]([C@H]1CCOC1)CC2 ZINC000096187433 442064179 /nfs/dbraw/zinc/06/41/79/442064179.db2.gz SDAFGSHXDWDABY-AWEZNQCLSA-N 1 1 341.415 1.224 40 0 EDABMO CN(Cc1ccccn1)C(=O)c1[nH]nc2c1C[N@H+]([C@H]1CCOC1)CC2 ZINC000096187433 442064184 /nfs/dbraw/zinc/06/41/84/442064184.db2.gz SDAFGSHXDWDABY-AWEZNQCLSA-N 1 1 341.415 1.224 40 0 EDABMO COCCO[C@H]1CC[N@@H+](Cc2cnn(C)c2)[C@H]1Cc1cnn(C)c1 ZINC000096200640 442075060 /nfs/dbraw/zinc/07/50/60/442075060.db2.gz LXBPWRCBAVSMTR-IRXDYDNUSA-N 1 1 333.436 1.002 40 0 EDABMO COCCN1CC[C@]2(C[N@H+]([C@@H]3CCOC3)C[C@H]2c2ccccc2)C1=O ZINC000096201887 442077496 /nfs/dbraw/zinc/07/74/96/442077496.db2.gz FVUAUXBRUIFVMI-WSTZPKSXSA-N 1 1 344.455 1.740 40 0 EDABMO Cc1ncsc1C[N@H+]1C[C@@H]2C[C@@H](CC(=O)NCC3CC3)O[C@@H]2C1 ZINC000096206644 442080215 /nfs/dbraw/zinc/08/02/15/442080215.db2.gz KGVYPMSAZRDBIX-SOUVJXGZSA-N 1 1 335.473 1.957 40 0 EDABMO COCCNC(=O)C[C@H]1OC[C@H]2C[N@@H+](Cc3ccc(C)cc3)CC[C@H]21 ZINC000096207264 442082068 /nfs/dbraw/zinc/08/20/68/442082068.db2.gz UVCLLDUSCKDCAV-GUDVDZBRSA-N 1 1 346.471 1.985 40 0 EDABMO COC[C@H]1CC2(C[N@H+]1C(C)C)CCN(C(=O)c1ccnnc1)CC2 ZINC000096240321 442099816 /nfs/dbraw/zinc/09/98/16/442099816.db2.gz CGDVPVIEKBSNCW-MRXNPFEDSA-N 1 1 332.448 1.828 40 0 EDABMO COc1ccc(CN2C(=O)CO[C@@H]3C[N@H+](C[C@H]4CCOC4)C[C@H]32)cc1 ZINC000096246438 442102215 /nfs/dbraw/zinc/10/22/15/442102215.db2.gz UKUZLLQYVKUMSK-KBAYOESNSA-N 1 1 346.427 1.143 40 0 EDABMO COCC[N@H+]1CCO[C@@H]2CN(C(=O)c3sccc3C)CC[C@@H]2C1 ZINC000096249615 442103295 /nfs/dbraw/zinc/10/32/95/442103295.db2.gz OXJNGPUUZYUTTE-HUUCEWRRSA-N 1 1 338.473 1.866 40 0 EDABMO Cn1ccnc1C[N@@H+]1CCc2ncnc(Oc3cccnc3)c2CC1 ZINC000096255662 442105766 /nfs/dbraw/zinc/10/57/66/442105766.db2.gz XJJOOMGMYNELJS-UHFFFAOYSA-N 1 1 336.399 1.998 40 0 EDABMO Cn1ccnc1C[N@H+]1CCc2ncnc(Oc3cccnc3)c2CC1 ZINC000096255662 442105769 /nfs/dbraw/zinc/10/57/69/442105769.db2.gz XJJOOMGMYNELJS-UHFFFAOYSA-N 1 1 336.399 1.998 40 0 EDABMO O=C(NC[C@@H]1CO[C@@H]2C[N@@H+](CC3CCCC3)C[C@H]12)c1cccnc1 ZINC000247347262 442848475 /nfs/dbraw/zinc/84/84/75/442848475.db2.gz BOMUJVSMDCXFHK-KZNAEPCWSA-N 1 1 329.444 1.948 40 0 EDABMO CNC(=O)c1cccc([C@@H]2C[NH2+]CCN2C(=O)c2c(C)noc2C)c1 ZINC000257297711 443136880 /nfs/dbraw/zinc/13/68/80/443136880.db2.gz RIOFXIYOSOLMFL-HNNXBMFYSA-N 1 1 342.399 1.438 40 0 EDABMO C[NH+]1CCN(C[C@]2(O)CCN(C(=O)C3CCC(F)(F)CC3)C2)CC1 ZINC000257303769 443138639 /nfs/dbraw/zinc/13/86/39/443138639.db2.gz SIQCBNVKAJQIGN-MRXNPFEDSA-N 1 1 345.434 1.023 40 0 EDABMO COc1ccc([C@H]2CN(c3nc(OC)nc(OC)n3)CC[N@@H+]2C)cc1 ZINC000257334672 443151560 /nfs/dbraw/zinc/15/15/60/443151560.db2.gz YGXQSWPHWAHKMD-CQSZACIVSA-N 1 1 345.403 1.391 40 0 EDABMO COc1ccc([C@H]2CN(c3nc(OC)nc(OC)n3)CC[N@H+]2C)cc1 ZINC000257334672 443151565 /nfs/dbraw/zinc/15/15/65/443151565.db2.gz YGXQSWPHWAHKMD-CQSZACIVSA-N 1 1 345.403 1.391 40 0 EDABMO CC1(C)Oc2c(O)cccc2[C@@H]2O[C@@H]3CC[N@@H+](CC(N)=O)C[C@@H]3C[C@H]21 ZINC000257341068 443154851 /nfs/dbraw/zinc/15/48/51/443154851.db2.gz ZISLODXCEOXXER-IYDIDCQVSA-N 1 1 346.427 1.817 40 0 EDABMO COC[C@]1([NH3+])[C@@H](c2ccc(Br)cc2)[C@H]1S(C)(=O)=O ZINC000242581616 443210928 /nfs/dbraw/zinc/21/09/28/443210928.db2.gz NZKHHVONYHOADD-TUAOUCFPSA-N 1 1 334.235 1.303 40 0 EDABMO Cn1cccc1C(=O)NC[C@H]1CO[C@@H]2C[N@@H+](Cc3ccsc3)C[C@H]12 ZINC000306140374 444287607 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