smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(N2CCC[C@H](c3nccn3CC[NH+](C)C)C2)c2ccccc2n1 ZINC000095357621 132207596 /nfs/dbraw/zinc/20/75/96/132207596.db2.gz TYVUGVDCDIVXHA-SFHVURJKSA-N 1 3 363.509 3.685 50 0 FHAAHO CN(C)C[C@H](c1ccccc1)N(C)C(=O)CC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000097732687 570493851 /nfs/dbraw/zinc/49/38/51/570493851.db2.gz NQNBCXMBTQWJKU-LJQANCHMSA-N 1 3 359.558 3.695 50 0 FHAAHO C[C@@H]1CCCC[C@H]1[NH+]1CCN(C2CCN(Cc3ccccc3)CC2)CC1 ZINC000019790291 570902885 /nfs/dbraw/zinc/90/28/85/570902885.db2.gz YXHARZAGOLQRDD-NFBKMPQASA-N 1 3 355.570 3.847 50 0 FHAAHO Cc1c[nH+]ccc1N1CCCN(Cc2ccc3cc(F)ccc3n2)CC1 ZINC000077523204 571214565 /nfs/dbraw/zinc/21/45/65/571214565.db2.gz AHDTXQTWTCDXHH-UHFFFAOYSA-N 1 3 350.441 3.790 50 0 FHAAHO CCN1CC2(CCC1=O)CCN(Cc1cccc([C@H](C)[NH+](C)C)c1)CC2 ZINC000091745872 571243180 /nfs/dbraw/zinc/24/31/80/571243180.db2.gz SQSDLVKVDQUDHC-SFHVURJKSA-N 1 3 357.542 3.534 50 0 FHAAHO O=C(Nc1ccc(Cc2ccncc2)cc1)N1CCCC([NH+]2CCCC2)C1 ZINC000058265893 205268892 /nfs/dbraw/zinc/26/88/92/205268892.db2.gz PIGASMKQMIEODG-NRFANRHFSA-N 1 3 364.493 3.765 50 0 FHAAHO CSc1ncc(CN(CCc2ccccc2)CC2CC[NH+](C)CC2)cn1 ZINC000015067614 526221814 /nfs/dbraw/zinc/22/18/14/526221814.db2.gz RAJXTUHFPXFOJW-UHFFFAOYSA-N 1 3 370.566 3.585 50 0 FHAAHO CN(C)Cc1ccc([C@@H]2CCCN2C(=O)C2([NH+]3CCCC3)CCCC2)cc1 ZINC000221154236 568388134 /nfs/dbraw/zinc/38/81/34/568388134.db2.gz XFCVECWGPPIUGE-NRFANRHFSA-N 1 3 369.553 3.820 50 0 FHAAHO COc1cc(CN2CCCC2)ccc1OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000072126702 571170348 /nfs/dbraw/zinc/17/03/48/571170348.db2.gz MNMPTIHYRAOEAF-VQTJNVASSA-N 1 3 358.526 3.934 50 0 FHAAHO COc1cc(CN2CCCC2)ccc1OC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000072126702 571170349 /nfs/dbraw/zinc/17/03/49/571170349.db2.gz MNMPTIHYRAOEAF-VQTJNVASSA-N 1 3 358.526 3.934 50 0 FHAAHO C[C@@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)N(C)C1CCCCC1 ZINC000299792491 571201267 /nfs/dbraw/zinc/20/12/67/571201267.db2.gz FCGKGMOHVTVCSU-SFHVURJKSA-N 1 3 357.542 3.552 50 0 FHAAHO CC(C)N(CCN1CCCCCC1)C(=O)c1ccc([C@H]2CCC[NH2+]2)s1 ZINC000055254725 205212946 /nfs/dbraw/zinc/21/29/46/205212946.db2.gz WYVHKQVPRAKCBD-QGZVFWFLSA-N 1 3 363.571 3.899 50 0 FHAAHO CCN1CCc2nc[nH]c2C12CCN(c1cc(C)[nH+]c3ccccc31)CC2 ZINC000091391458 132201510 /nfs/dbraw/zinc/20/15/10/132201510.db2.gz KESJIKDKFKTMML-UHFFFAOYSA-N 1 3 361.493 3.640 50 0 FHAAHO CCOC(=O)[C@]1(Cc2ccccc2)CCCN(C2CC[NH+](C(C)C)CC2)C1 ZINC000011879394 570598507 /nfs/dbraw/zinc/59/85/07/570598507.db2.gz IHTNOMZOWJWLSN-QHCPKHFHSA-N 1 3 372.553 3.747 50 0 FHAAHO COC(=O)c1ccc(C[N@H+](C)CC2CCN(Cc3ccc(C)o3)CC2)cc1 ZINC000011817645 570707622 /nfs/dbraw/zinc/70/76/22/570707622.db2.gz XVTMWWQRFXPHSI-UHFFFAOYSA-N 1 3 370.493 3.719 50 0 FHAAHO COC(=O)c1ccc(C[N@@H+](C)CC2CCN(Cc3ccc(C)o3)CC2)cc1 ZINC000011817645 570707624 /nfs/dbraw/zinc/70/76/24/570707624.db2.gz XVTMWWQRFXPHSI-UHFFFAOYSA-N 1 3 370.493 3.719 50 0 FHAAHO CC(C)[NH+]1CCC(N2CCC[C@@H](C(=O)NCCC3=CCCCC3)C2)CC1 ZINC000019225001 570883166 /nfs/dbraw/zinc/88/31/66/570883166.db2.gz UTXZZQCMHMJXBK-HXUWFJFHSA-N 1 3 361.574 3.578 50 0 FHAAHO CC[NH+](CC)CCCNc1ncnc2c1c(C)c(C)n2-c1ccncc1 ZINC000005346120 204204753 /nfs/dbraw/zinc/20/47/53/204204753.db2.gz HCJHMXMFNZHBBU-UHFFFAOYSA-N 1 3 352.486 3.576 50 0 FHAAHO C[C@@H](C1CCN(CCC(=O)Nc2ccccc2Cl)CC1)[NH+]1CCCC1 ZINC000065502312 205354715 /nfs/dbraw/zinc/35/47/15/205354715.db2.gz BKFVRRCEAIINOM-INIZCTEOSA-N 1 3 363.933 3.865 50 0 FHAAHO CCN(Cc1cccc(OC[C@H](O)C[N@H+](C)C2CCCCC2)c1)C1CC1 ZINC000095503384 570463302 /nfs/dbraw/zinc/46/33/02/570463302.db2.gz XEHNMAINWAQVTH-OAQYLSRUSA-N 1 3 360.542 3.675 50 0 FHAAHO CCN(Cc1cccc(OC[C@H](O)C[N@@H+](C)C2CCCCC2)c1)C1CC1 ZINC000095503384 570463305 /nfs/dbraw/zinc/46/33/05/570463305.db2.gz XEHNMAINWAQVTH-OAQYLSRUSA-N 1 3 360.542 3.675 50 0 FHAAHO C[C@H]1C2=C(CC[C@]3(O2)C(=O)[C@@H](C)C(C)(C)NC3(C)C)C(C)(C)[NH2+]C1(C)C ZINC000252427771 571278637 /nfs/dbraw/zinc/27/86/37/571278637.db2.gz FFFHGNSTGIUZOS-VVYDWRJNSA-N 1 3 362.558 3.952 50 0 FHAAHO C[C@H]1CCCCN1C1CN(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000096131831 570476410 /nfs/dbraw/zinc/47/64/10/570476410.db2.gz MUUDUPLGBNFTRO-SFHVURJKSA-N 1 3 370.541 3.763 50 0 FHAAHO COC(=O)CC[C@H]1C[N@@H+](C2C3CC4CC(C3)CC2C4)CC[C@H]1N1CCCC1 ZINC000012191445 570725669 /nfs/dbraw/zinc/72/56/69/570725669.db2.gz GXVSUNLJFOBBLT-ZOHRNTLWSA-N 1 3 374.569 3.551 50 0 FHAAHO COC(=O)CC[C@H]1C[N@H+](C2C3CC4CC(C3)CC2C4)CC[C@H]1N1CCCC1 ZINC000012191445 570725671 /nfs/dbraw/zinc/72/56/71/570725671.db2.gz GXVSUNLJFOBBLT-ZOHRNTLWSA-N 1 3 374.569 3.551 50 0 FHAAHO COCC[N@@H+](Cc1cccnc1)CC1CCN(Cc2ccccc2F)CC1 ZINC000012308272 570735478 /nfs/dbraw/zinc/73/54/78/570735478.db2.gz DYKMCLASRBDQEW-UHFFFAOYSA-N 1 3 371.500 3.581 50 0 FHAAHO COCC[N@H+](Cc1cccnc1)CC1CCN(Cc2ccccc2F)CC1 ZINC000012308272 570735481 /nfs/dbraw/zinc/73/54/81/570735481.db2.gz DYKMCLASRBDQEW-UHFFFAOYSA-N 1 3 371.500 3.581 50 0 FHAAHO C[C@@H]1C(=O)[C@]2(CCC3=C(O2)[C@@H](C)C(C)(C)[NH2+]C3(C)C)C(C)(C)NC1(C)C ZINC000017293324 570748101 /nfs/dbraw/zinc/74/81/01/570748101.db2.gz FFFHGNSTGIUZOS-XDEPDNQISA-N 1 3 362.558 3.952 50 0 FHAAHO CCN(CC)CC(=O)N1CC[C@@]2(C1)CCC[N@H+](CCC1CCCCC1)C2 ZINC000012714653 570757591 /nfs/dbraw/zinc/75/75/91/570757591.db2.gz FKUUTFAETYDGER-QFIPXVFZSA-N 1 3 363.590 3.613 50 0 FHAAHO CCN(CC)CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCC1CCCCC1)C2 ZINC000012714653 570757594 /nfs/dbraw/zinc/75/75/94/570757594.db2.gz FKUUTFAETYDGER-QFIPXVFZSA-N 1 3 363.590 3.613 50 0 FHAAHO C[C@H]1CCC[C@@H]([NH+]2CCN(C3CCN(Cc4ccccc4)CC3)CC2)C1 ZINC000019831921 570904406 /nfs/dbraw/zinc/90/44/06/570904406.db2.gz DHEKVTKMUGDXIL-NZQKXSOJSA-N 1 3 355.570 3.847 50 0 FHAAHO COc1ccc(OC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1CN1CCCC1 ZINC000072151387 571174277 /nfs/dbraw/zinc/17/42/77/571174277.db2.gz MCAOYIPNJDDCCB-GHTZIAJQSA-N 1 3 358.526 3.934 50 0 FHAAHO COc1ccc(OC[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1CN1CCCC1 ZINC000072151387 571174279 /nfs/dbraw/zinc/17/42/79/571174279.db2.gz MCAOYIPNJDDCCB-GHTZIAJQSA-N 1 3 358.526 3.934 50 0 FHAAHO Cc1cc(N2CCCN(Cc3cnc(CC4CCCC4)[nH]3)CC2)cc[nH+]1 ZINC000072164036 571176386 /nfs/dbraw/zinc/17/63/86/571176386.db2.gz ULPCEEXXWLXKIY-UHFFFAOYSA-N 1 3 353.514 3.558 50 0 FHAAHO CCCN1CC2(C[C@@H]1C(=O)NC(C)(C)c1ccc(C)cc1)CC[NH+](C)CC2 ZINC000072457591 571197526 /nfs/dbraw/zinc/19/75/26/571197526.db2.gz HFWCRSRTWAOMNY-HXUWFJFHSA-N 1 3 371.569 3.543 50 0 FHAAHO C[C@@H](CC(F)(F)F)N[C@H](CN(C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000097228347 571216364 /nfs/dbraw/zinc/21/63/64/571216364.db2.gz FPXBYKNMENJQSI-MAUKXSAKSA-N 1 3 357.464 3.684 50 0 FHAAHO CCOc1cc(C[NH2+]CCCN(C)C)cc(Br)c1OC(C)C ZINC000040719600 205077424 /nfs/dbraw/zinc/07/74/24/205077424.db2.gz OQFXELLMAAIROV-UHFFFAOYSA-N 1 3 373.335 3.676 50 0 FHAAHO Fc1cccc(-c2ccc(N3CCC([NH2+]C4CCNCC4)CC3)cc2)c1 ZINC000063882475 205295820 /nfs/dbraw/zinc/29/58/20/205295820.db2.gz DDBFSAGFSHEHPW-UHFFFAOYSA-N 1 3 353.485 3.803 50 0 FHAAHO Fc1cccc(-c2ccc(N3CCC(NC4CC[NH2+]CC4)CC3)cc2)c1 ZINC000063882475 205295825 /nfs/dbraw/zinc/29/58/25/205295825.db2.gz DDBFSAGFSHEHPW-UHFFFAOYSA-N 1 3 353.485 3.803 50 0 FHAAHO C[NH+](C)CCCn1ccnc1[C@@H]1CCCN(c2ccnc3ccccc32)C1 ZINC000095385015 132209732 /nfs/dbraw/zinc/20/97/32/132209732.db2.gz ONDKFZCRRXRSDL-GOSISDBHSA-N 1 3 363.509 3.767 50 0 FHAAHO Cc1cc(N2CCCN(Cc3ccc(-c4cc[nH]n4)s3)CC2)cc[nH+]1 ZINC000072148447 571174147 /nfs/dbraw/zinc/17/41/47/571174147.db2.gz YYRIBAIGHYPKLT-UHFFFAOYSA-N 1 3 353.495 3.554 50 0 FHAAHO Cc1cc(-n2cccn2)ccc1C[N@@H+]1CC[C@@]2(C1)CCCN(CC1CC1)C2 ZINC000072419757 571192919 /nfs/dbraw/zinc/19/29/19/571192919.db2.gz BCIGAYVNGOCHCT-QHCPKHFHSA-N 1 3 364.537 3.879 50 0 FHAAHO Cc1cc(-n2cccn2)ccc1C[N@H+]1CC[C@@]2(C1)CCCN(CC1CC1)C2 ZINC000072419757 571192921 /nfs/dbraw/zinc/19/29/21/571192921.db2.gz BCIGAYVNGOCHCT-QHCPKHFHSA-N 1 3 364.537 3.879 50 0 FHAAHO CCN(CC[NH+](C)C)C(=O)c1cccc(-c2ccc3nccc(N)c3c2)c1 ZINC000534661844 571208934 /nfs/dbraw/zinc/20/89/34/571208934.db2.gz MVPJOKZQPYUWBQ-UHFFFAOYSA-N 1 3 362.477 3.508 50 0 FHAAHO C[C@H]1CCC[C@H]([NH+]2CCN(C3CCN(Cc4ccccc4)CC3)CC2)C1 ZINC000019831923 204708927 /nfs/dbraw/zinc/70/89/27/204708927.db2.gz DHEKVTKMUGDXIL-REWPJTCUSA-N 1 3 355.570 3.847 50 0 FHAAHO CCN(CC)Cc1cc(C(=O)N2CCC[C@@H]([NH3+])CC2)c(-c2ccccc2)o1 ZINC000072125535 205472804 /nfs/dbraw/zinc/47/28/04/205472804.db2.gz UKWDYUFDHQGGMZ-GOSISDBHSA-N 1 3 369.509 3.742 50 0 FHAAHO c1cnn(CCC2CC[NH+](Cc3cc(CN4CCCC4)cs3)CC2)c1 ZINC000216194032 206356044 /nfs/dbraw/zinc/35/60/44/206356044.db2.gz HYQVVIVWVUEPLC-UHFFFAOYSA-N 1 3 358.555 3.843 50 0 FHAAHO Cc1nccn1CCCN1CCC2(C[C@H](c3ccccc3)C[N@H+]2C)CC1 ZINC000095511437 570465859 /nfs/dbraw/zinc/46/58/59/570465859.db2.gz YASLDDFKRWNICI-NRFANRHFSA-N 1 3 352.526 3.536 50 0 FHAAHO Cc1nccn1CCCN1CCC2(C[C@H](c3ccccc3)C[N@@H+]2C)CC1 ZINC000095511437 570465864 /nfs/dbraw/zinc/46/58/64/570465864.db2.gz YASLDDFKRWNICI-NRFANRHFSA-N 1 3 352.526 3.536 50 0 FHAAHO CCn1nc(C)c(C[N@H+](C)CC2CCN(Cc3ccc(C)o3)CC2)c1C ZINC000011874540 570710854 /nfs/dbraw/zinc/71/08/54/570710854.db2.gz GHNJPFGRAODTRZ-UHFFFAOYSA-N 1 3 358.530 3.765 50 0 FHAAHO CCn1nc(C)c(C[N@@H+](C)CC2CCN(Cc3ccc(C)o3)CC2)c1C ZINC000011874540 570710857 /nfs/dbraw/zinc/71/08/57/570710857.db2.gz GHNJPFGRAODTRZ-UHFFFAOYSA-N 1 3 358.530 3.765 50 0 FHAAHO C[C@@H]1C(=O)[C@@]2(CCC3=C(O2)[C@@H](C)C(C)(C)[NH2+]C3(C)C)C(C)(C)NC1(C)C ZINC000017293321 570748064 /nfs/dbraw/zinc/74/80/64/570748064.db2.gz FFFHGNSTGIUZOS-SOHPYSCWSA-N 1 3 362.558 3.952 50 0 FHAAHO CCN(CC)CC(=O)N1CC[C@]2(C1)CCC[N@H+](CCC1CCCCC1)C2 ZINC000012714649 570757631 /nfs/dbraw/zinc/75/76/31/570757631.db2.gz FKUUTFAETYDGER-JOCHJYFZSA-N 1 3 363.590 3.613 50 0 FHAAHO CCN(CC)CC(=O)N1CC[C@]2(C1)CCC[N@@H+](CCC1CCCCC1)C2 ZINC000012714649 570757634 /nfs/dbraw/zinc/75/76/34/570757634.db2.gz FKUUTFAETYDGER-JOCHJYFZSA-N 1 3 363.590 3.613 50 0 FHAAHO C[C@@H]1CCC[C@H]([NH+]2CCN(C3CCN(Cc4ccccc4)CC3)CC2)C1 ZINC000019831922 570904175 /nfs/dbraw/zinc/90/41/75/570904175.db2.gz DHEKVTKMUGDXIL-OFNKIYASSA-N 1 3 355.570 3.847 50 0 FHAAHO CCC[NH+]1CCC(N2CCC[C@@](Cc3ccccc3)(C(=O)OCC)C2)CC1 ZINC000020204012 570913206 /nfs/dbraw/zinc/91/32/06/570913206.db2.gz BMDGAEKUZCTZEV-QHCPKHFHSA-N 1 3 372.553 3.749 50 0 FHAAHO COc1ccc(CN2CCCC[C@@H]2CC[NH+](C)C)cc1CN1CCCC1 ZINC000072409123 571191445 /nfs/dbraw/zinc/19/14/45/571191445.db2.gz AEAFEKYJSQKDPZ-OAQYLSRUSA-N 1 3 359.558 3.597 50 0 FHAAHO CN(Cc1cnn(C)c1C1CC1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000072424946 571194144 /nfs/dbraw/zinc/19/41/44/571194144.db2.gz DLJQJLPGGYDVLP-UHFFFAOYSA-N 1 3 352.526 3.642 50 0 FHAAHO O=C(NCCC[NH+]1CCCCCC1)c1ccc(CN2CCCCC2)cc1 ZINC000010111293 204391068 /nfs/dbraw/zinc/39/10/68/204391068.db2.gz WFLIQHTZCPQJQV-UHFFFAOYSA-N 1 3 357.542 3.668 50 0 FHAAHO CN(CCOc1cccc(Cl)c1)C(=O)c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC000095390455 205752343 /nfs/dbraw/zinc/75/23/43/205752343.db2.gz SLZYUJSPWCLIFB-SFHVURJKSA-N 1 3 372.896 3.958 50 0 FHAAHO C[C@@H](c1ccccc1)N1CCC(NC(=O)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000170614630 206274376 /nfs/dbraw/zinc/27/43/76/206274376.db2.gz PYDJQKFWHSKERD-RXVVDRJESA-N 1 3 357.542 3.593 50 0 FHAAHO C[C@@H](c1ccccc1)N1CCC(NC(=O)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000170614630 206274381 /nfs/dbraw/zinc/27/43/81/206274381.db2.gz PYDJQKFWHSKERD-RXVVDRJESA-N 1 3 357.542 3.593 50 0 FHAAHO CN(Cc1ccccc1)C[C@@H](O)COc1ccc(C[NH+]2CCCCC2)cc1 ZINC000020537881 523341843 /nfs/dbraw/zinc/34/18/43/523341843.db2.gz VXILIUXKXLAAMH-JOCHJYFZSA-N 1 3 368.521 3.544 50 0 FHAAHO Cc1ccc(-c2ccc(CN3CCN(CC4CC[NH+](C)CC4)CC3)cc2)o1 ZINC000215252884 568060195 /nfs/dbraw/zinc/06/01/95/568060195.db2.gz SDNMHSWAQMSEAM-UHFFFAOYSA-N 1 3 367.537 3.714 50 0 FHAAHO C[C@@H]1CCCCN1C1CN(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000096131830 570476359 /nfs/dbraw/zinc/47/63/59/570476359.db2.gz MUUDUPLGBNFTRO-GOSISDBHSA-N 1 3 370.541 3.763 50 0 FHAAHO CC(C)Cc1ccc(C[NH+]2CCC(CCC(=O)NCCN(C)C)CC2)cc1 ZINC000012314138 570735718 /nfs/dbraw/zinc/73/57/18/570735718.db2.gz XMDVPJKIBRDWHW-UHFFFAOYSA-N 1 3 373.585 3.555 50 0 FHAAHO CC(C)n1cc(CN(C)CC2CC[NH+](CCc3cccc(F)c3)CC2)cn1 ZINC000012478891 570748649 /nfs/dbraw/zinc/74/86/49/570748649.db2.gz GGXGLBKSDCGUPN-UHFFFAOYSA-N 1 3 372.532 3.990 50 0 FHAAHO Fc1ccccc1CN1CCC(C[N@H+](CC2CC2)C[C@H]2CCCO2)CC1 ZINC000012707377 571050978 /nfs/dbraw/zinc/05/09/78/571050978.db2.gz UFPHXPLBZUJCDA-OAQYLSRUSA-N 1 3 360.517 3.929 50 0 FHAAHO Fc1ccccc1CN1CCC(C[N@@H+](CC2CC2)C[C@H]2CCCO2)CC1 ZINC000012707377 571050980 /nfs/dbraw/zinc/05/09/80/571050980.db2.gz UFPHXPLBZUJCDA-OAQYLSRUSA-N 1 3 360.517 3.929 50 0 FHAAHO Cc1cc(N2CCCN(Cc3cn(C)nc3-c3ccccc3)CC2)cc[nH+]1 ZINC000072147392 571173819 /nfs/dbraw/zinc/17/38/19/571173819.db2.gz LPUUXSORWVZXNL-UHFFFAOYSA-N 1 3 361.493 3.503 50 0 FHAAHO c1ccc2c(c1)CCN(C1CC[NH+](Cc3cccc4nccnc34)CC1)C2 ZINC000072150973 571174519 /nfs/dbraw/zinc/17/45/19/571174519.db2.gz SLRNLYBVCZPUEL-UHFFFAOYSA-N 1 3 358.489 3.653 50 0 FHAAHO c1ccc(CN2CCC(N3CC[NH+](C[C@@H]4CC=CCC4)CC3)CC2)cc1 ZINC000019156860 571186394 /nfs/dbraw/zinc/18/63/94/571186394.db2.gz CJFYRAGTEHBZRC-JOCHJYFZSA-N 1 3 353.554 3.625 50 0 FHAAHO OC1(c2ccc(Cl)cc2)CCN(C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000299790761 571200688 /nfs/dbraw/zinc/20/06/88/571200688.db2.gz BRCSWNJTFWSIFB-FXAWDEMLSA-N 1 3 362.945 3.888 50 0 FHAAHO OC1(c2ccc(Cl)cc2)CCN(C[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000299790761 571200691 /nfs/dbraw/zinc/20/06/91/571200691.db2.gz BRCSWNJTFWSIFB-FXAWDEMLSA-N 1 3 362.945 3.888 50 0 FHAAHO [NH3+]CCc1cccc(CN2CCCC[C@@H]2c2nc3ccc(F)cc3[nH]2)c1 ZINC000077425215 571211232 /nfs/dbraw/zinc/21/12/32/571211232.db2.gz MGPYKAKRFDDYGI-HXUWFJFHSA-N 1 3 352.457 3.930 50 0 FHAAHO COc1ccccc1C[NH+]1CCC(CN(Cc2ncc[nH]2)CC(C)C)CC1 ZINC000012201749 207347612 /nfs/dbraw/zinc/34/76/12/207347612.db2.gz KNTLODHIRALUAT-UHFFFAOYSA-N 1 3 370.541 3.789 50 0 FHAAHO Cc1cc(N2CCN(Cc3cc(CN4CCCCC4)cs3)CC2)cc[nH+]1 ZINC000097480194 132229317 /nfs/dbraw/zinc/22/93/17/132229317.db2.gz NICUCCQDPQNQMD-UHFFFAOYSA-N 1 3 370.566 3.760 50 0 FHAAHO CN(Cc1ccc(C[NH+]2CCCC2)s1)C[C@H]1Cc2ccccc2CN1C ZINC000216050379 568102738 /nfs/dbraw/zinc/10/27/38/568102738.db2.gz XEKWJZOYOXGDBF-HXUWFJFHSA-N 1 3 369.578 3.832 50 0 FHAAHO CC(C)c1nnc([C@@H]2C[N@H+](C)CC23CCN(Cc2ccsc2)CC3)o1 ZINC000257174416 942460015 /nfs/dbraw/zinc/46/00/15/942460015.db2.gz GRBGUHFJEOEEFQ-INIZCTEOSA-N 1 3 360.527 3.566 50 0 FHAAHO CC(C)c1nnc([C@@H]2C[N@@H+](C)CC23CCN(Cc2ccsc2)CC3)o1 ZINC000257174416 942460021 /nfs/dbraw/zinc/46/00/21/942460021.db2.gz GRBGUHFJEOEEFQ-INIZCTEOSA-N 1 3 360.527 3.566 50 0 FHAAHO C[C@H](OC[C@H](O)CNC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(Cl)cc1 ZINC000002652686 206927195 /nfs/dbraw/zinc/92/71/95/206927195.db2.gz QEILUEXGBCCJPY-KBXCAEBGSA-N 1 3 368.949 3.677 50 0 FHAAHO C[C@H](OC[C@H](O)C[NH2+]C1CC(C)(C)NC(C)(C)C1)c1ccc(Cl)cc1 ZINC000002652686 206927199 /nfs/dbraw/zinc/92/71/99/206927199.db2.gz QEILUEXGBCCJPY-KBXCAEBGSA-N 1 3 368.949 3.677 50 0 FHAAHO FC(F)(F)CCC[N@@H+]1CC[C@H](C2CCN(Cc3cccnc3)CC2)C1 ZINC000012317913 207360229 /nfs/dbraw/zinc/36/02/29/207360229.db2.gz AQOHIPFUQCFQEM-SFHVURJKSA-N 1 3 355.448 3.958 50 0 FHAAHO FC(F)(F)CCC[N@H+]1CC[C@H](C2CCN(Cc3cccnc3)CC2)C1 ZINC000012317913 207360238 /nfs/dbraw/zinc/36/02/38/207360238.db2.gz AQOHIPFUQCFQEM-SFHVURJKSA-N 1 3 355.448 3.958 50 0 FHAAHO Cc1ccc(CN2CCC(C[N@@H+](C)Cc3cccc4c3OCO4)CC2)o1 ZINC000012442541 207379089 /nfs/dbraw/zinc/37/90/89/207379089.db2.gz MXUACPWFSQZCDZ-UHFFFAOYSA-N 1 3 356.466 3.661 50 0 FHAAHO Cc1ccc(CN2CCC(C[N@H+](C)Cc3cccc4c3OCO4)CC2)o1 ZINC000012442541 207379095 /nfs/dbraw/zinc/37/90/95/207379095.db2.gz MXUACPWFSQZCDZ-UHFFFAOYSA-N 1 3 356.466 3.661 50 0 FHAAHO CN(C)Cc1cccc(C[N@@H+]2CCCC23CCN(c2ccccn2)CC3)c1 ZINC000072454807 536028340 /nfs/dbraw/zinc/02/83/40/536028340.db2.gz REVZOMDTSJCNGJ-UHFFFAOYSA-N 1 3 364.537 3.778 50 0 FHAAHO CN(C)Cc1cccc(C[N@H+]2CCCC23CCN(c2ccccn2)CC3)c1 ZINC000072454807 536028343 /nfs/dbraw/zinc/02/83/43/536028343.db2.gz REVZOMDTSJCNGJ-UHFFFAOYSA-N 1 3 364.537 3.778 50 0 FHAAHO C[C@H](C1CCN(CCC(=O)Nc2ccccc2Cl)CC1)[NH+]1CCCC1 ZINC000065502316 571144144 /nfs/dbraw/zinc/14/41/44/571144144.db2.gz BKFVRRCEAIINOM-MRXNPFEDSA-N 1 3 363.933 3.865 50 0 FHAAHO Cc1ccc(-c2cc(O)c3c(c2)CN(CC2CC[NH2+]CC2)CCO3)s1 ZINC000067964924 571152512 /nfs/dbraw/zinc/15/25/12/571152512.db2.gz QSAZHFMPMKGEHH-UHFFFAOYSA-N 1 3 358.507 3.623 50 0 FHAAHO CN(C)CC(C)(C)C[NH+]1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 ZINC000072128306 571170698 /nfs/dbraw/zinc/17/06/98/571170698.db2.gz YTZUJTDEPXUGDE-UHFFFAOYSA-N 1 3 358.448 3.577 50 0 FHAAHO Cc1cc(-n2cccn2)ccc1C[N@@H+]1CC[C@]2(C1)CCCN(CC1CC1)C2 ZINC000072419758 571192950 /nfs/dbraw/zinc/19/29/50/571192950.db2.gz BCIGAYVNGOCHCT-HSZRJFAPSA-N 1 3 364.537 3.879 50 0 FHAAHO Cc1cc(-n2cccn2)ccc1C[N@H+]1CC[C@]2(C1)CCCN(CC1CC1)C2 ZINC000072419758 571192951 /nfs/dbraw/zinc/19/29/51/571192951.db2.gz BCIGAYVNGOCHCT-HSZRJFAPSA-N 1 3 364.537 3.879 50 0 FHAAHO [NH3+]CCc1ccc(CN2CCC[C@H](C(=O)CCc3ccccc3)C2)cc1 ZINC000072438436 571196779 /nfs/dbraw/zinc/19/67/79/571196779.db2.gz BXNOHIFDAVBEPK-QFIPXVFZSA-N 1 3 350.506 3.602 50 0 FHAAHO C[C@@H]1C[C@@H](N(C)C(=O)C[C@@H](N)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000237564907 209350237 /nfs/dbraw/zinc/35/02/37/209350237.db2.gz SIFJTXFRBYLKEX-BVYCBKJFSA-N 1 3 365.521 3.588 50 0 FHAAHO C[C@@H]1C[C@@H](N(C)C(=O)C[C@@H](N)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000237564907 209350244 /nfs/dbraw/zinc/35/02/44/209350244.db2.gz SIFJTXFRBYLKEX-BVYCBKJFSA-N 1 3 365.521 3.588 50 0 FHAAHO Cc1ncc(CN2CC[C@@H](C3CC[NH+](CCc4ccccc4)CC3)C2)cn1 ZINC000012577404 207396592 /nfs/dbraw/zinc/39/65/92/207396592.db2.gz KEWNXHSZINNMOK-HSZRJFAPSA-N 1 3 364.537 3.562 50 0 FHAAHO CN(Cc1ccccc1)C[C@H](O)COc1ccc(C[NH+]2CCCCC2)cc1 ZINC000020537884 523341340 /nfs/dbraw/zinc/34/13/40/523341340.db2.gz VXILIUXKXLAAMH-QFIPXVFZSA-N 1 3 368.521 3.544 50 0 FHAAHO OCc1ccc(C[C@H]2CC[N@H+](Cc3cc(CN4CCCC4)cs3)C2)cc1 ZINC000091595641 527633392 /nfs/dbraw/zinc/63/33/92/527633392.db2.gz NCNYTOZTDKLSNW-HXUWFJFHSA-N 1 3 370.562 3.901 50 0 FHAAHO OCc1ccc(C[C@H]2CC[N@@H+](Cc3cc(CN4CCCC4)cs3)C2)cc1 ZINC000091595641 527633396 /nfs/dbraw/zinc/63/33/96/527633396.db2.gz NCNYTOZTDKLSNW-HXUWFJFHSA-N 1 3 370.562 3.901 50 0 FHAAHO Cc1c2cc(C)ccc2oc1C[NH+]1CCC(CN2CCN(C)CC2)CC1 ZINC000216331950 568118299 /nfs/dbraw/zinc/11/82/99/568118299.db2.gz ORSSMFNMZCFDTJ-UHFFFAOYSA-N 1 3 355.526 3.509 50 0 FHAAHO CN(C)Cc1ccc([C@H]2CCCN2C(=O)C2([NH+]3CCCC3)CCCC2)cc1 ZINC000221154287 568388145 /nfs/dbraw/zinc/38/81/45/568388145.db2.gz XFCVECWGPPIUGE-OAQYLSRUSA-N 1 3 369.553 3.820 50 0 FHAAHO C[C@@H]1CCC[C@@H]([NH+]2CCN(C3CCN(Cc4ccccc4)CC3)CC2)C1 ZINC000019831920 570904527 /nfs/dbraw/zinc/90/45/27/570904527.db2.gz DHEKVTKMUGDXIL-NFBKMPQASA-N 1 3 355.570 3.847 50 0 FHAAHO C[NH+]1CCC(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000072150867 571174498 /nfs/dbraw/zinc/17/44/98/571174498.db2.gz OBTIOJSWRDKMHE-UHFFFAOYSA-N 1 3 363.549 3.735 50 0 FHAAHO CN(C)C[C@@H](c1ccccc1)N(C)C(=O)CC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000097732685 209195729 /nfs/dbraw/zinc/19/57/29/209195729.db2.gz NQNBCXMBTQWJKU-IBGZPJMESA-N 1 3 359.558 3.695 50 0 FHAAHO Cc1nccn1CCCN1CCC2(C[C@@H](c3ccccc3)C[N@H+]2C)CC1 ZINC000095511438 209069633 /nfs/dbraw/zinc/06/96/33/209069633.db2.gz YASLDDFKRWNICI-OAQYLSRUSA-N 1 3 352.526 3.536 50 0 FHAAHO Cc1nccn1CCCN1CCC2(C[C@@H](c3ccccc3)C[N@@H+]2C)CC1 ZINC000095511438 209069637 /nfs/dbraw/zinc/06/96/37/209069637.db2.gz YASLDDFKRWNICI-OAQYLSRUSA-N 1 3 352.526 3.536 50 0 FHAAHO C[C@@H]1C[C@@H](N(C)C(=O)C[C@H](N)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000263357948 525243671 /nfs/dbraw/zinc/24/36/71/525243671.db2.gz SIFJTXFRBYLKEX-COPCDDAFSA-N 1 3 365.521 3.588 50 0 FHAAHO C[C@@H]1C[C@@H](N(C)C(=O)C[C@H](N)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000263357948 525243678 /nfs/dbraw/zinc/24/36/78/525243678.db2.gz SIFJTXFRBYLKEX-COPCDDAFSA-N 1 3 365.521 3.588 50 0 FHAAHO Cc1ccc(C)c(C[NH+]2CCC3(CC2)c2ccccc2[C@@H](N(C)C)[C@@H]3O)c1 ZINC000020135669 570911024 /nfs/dbraw/zinc/91/10/24/570911024.db2.gz MPTASIYNKONLSO-PKTZIBPZSA-N 1 3 364.533 3.814 50 0 FHAAHO [NH3+]CCc1cccc(CN2CCCC[C@H]2c2nc3ccc(F)cc3[nH]2)c1 ZINC000077425217 571211196 /nfs/dbraw/zinc/21/11/96/571211196.db2.gz MGPYKAKRFDDYGI-FQEVSTJZSA-N 1 3 352.457 3.930 50 0 FHAAHO CN(CCC[NH+](C)C)[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1 ZINC000023375216 940297236 /nfs/dbraw/zinc/29/72/36/940297236.db2.gz KMPNDMNCMHGXMJ-SFHVURJKSA-N 1 3 357.464 3.553 50 0 FHAAHO CN(C)CCC[N@H+](C)[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1 ZINC000023375216 940297239 /nfs/dbraw/zinc/29/72/39/940297239.db2.gz KMPNDMNCMHGXMJ-SFHVURJKSA-N 1 3 357.464 3.553 50 0 FHAAHO CN(C)CCC[N@@H+](C)[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1 ZINC000023375216 940297242 /nfs/dbraw/zinc/29/72/42/940297242.db2.gz KMPNDMNCMHGXMJ-SFHVURJKSA-N 1 3 357.464 3.553 50 0 FHAAHO C[C@H](OC[C@H](O)C[NH2+]CCCN1CCCCCC1)c1ccc(Cl)cc1 ZINC000006051591 207126205 /nfs/dbraw/zinc/12/62/05/207126205.db2.gz DNXUXQKZKCFGGZ-FXAWDEMLSA-N 1 3 368.949 3.634 50 0 FHAAHO CN(C)Cc1ccc(-c2nc(-c3ccccc3)nn2C2CC[NH+](C)CC2)o1 ZINC000096162373 570477977 /nfs/dbraw/zinc/47/79/77/570477977.db2.gz WYXQIKCNOQOMML-UHFFFAOYSA-N 1 3 365.481 3.533 50 0 FHAAHO CCNC(=O)CCN1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(C(C)C)cc1)C2 ZINC000426503257 570613305 /nfs/dbraw/zinc/61/33/05/570613305.db2.gz KCEYOHUGQZEISM-HSZRJFAPSA-N 1 3 371.569 3.624 50 0 FHAAHO CCNC(=O)CCN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(C(C)C)cc1)C2 ZINC000426503257 570613308 /nfs/dbraw/zinc/61/33/08/570613308.db2.gz KCEYOHUGQZEISM-HSZRJFAPSA-N 1 3 371.569 3.624 50 0 FHAAHO COc1cc(C[N@H+](C)CC2CCN(Cc3ccc(C)o3)CC2)cc(OC)c1 ZINC000012752762 570760043 /nfs/dbraw/zinc/76/00/43/570760043.db2.gz WYVKGMLWBBQCTR-UHFFFAOYSA-N 1 3 372.509 3.949 50 0 FHAAHO COc1cc(C[N@@H+](C)CC2CCN(Cc3ccc(C)o3)CC2)cc(OC)c1 ZINC000012752762 570760045 /nfs/dbraw/zinc/76/00/45/570760045.db2.gz WYVKGMLWBBQCTR-UHFFFAOYSA-N 1 3 372.509 3.949 50 0 FHAAHO CN(C)Cc1ccccc1CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000009917466 571120736 /nfs/dbraw/zinc/12/07/36/571120736.db2.gz LIERTDYHDIEXRL-UHFFFAOYSA-N 1 3 365.521 3.664 50 0 FHAAHO CN(Cc1ccccc1)C[C@@H]1OC(C)(C)O[C@H]1C[N@H+](C)Cc1ccccc1 ZINC000252500453 571281235 /nfs/dbraw/zinc/28/12/35/571281235.db2.gz SVXWEYMZCNCRQT-VXKWHMMOSA-N 1 3 368.521 3.771 50 0 FHAAHO CN(Cc1ccccc1)C[C@@H]1OC(C)(C)O[C@H]1C[N@@H+](C)Cc1ccccc1 ZINC000252500453 571281236 /nfs/dbraw/zinc/28/12/36/571281236.db2.gz SVXWEYMZCNCRQT-VXKWHMMOSA-N 1 3 368.521 3.771 50 0 FHAAHO CC(C)c1nnc([C@H]2C[N@H+](C)CC23CCN(Cc2ccsc2)CC3)o1 ZINC000257174417 942460405 /nfs/dbraw/zinc/46/04/05/942460405.db2.gz GRBGUHFJEOEEFQ-MRXNPFEDSA-N 1 3 360.527 3.566 50 0 FHAAHO CC(C)c1nnc([C@H]2C[N@@H+](C)CC23CCN(Cc2ccsc2)CC3)o1 ZINC000257174417 942460408 /nfs/dbraw/zinc/46/04/08/942460408.db2.gz GRBGUHFJEOEEFQ-MRXNPFEDSA-N 1 3 360.527 3.566 50 0 FHAAHO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000048711590 209332431 /nfs/dbraw/zinc/33/24/31/209332431.db2.gz HSBCNOKCIULSPZ-MRXNPFEDSA-N 1 3 358.917 3.716 50 0 FHAAHO C[NH+](C)CCCn1ccnc1C1CCN(c2ccnc3ccccc32)CC1 ZINC000095380763 132209402 /nfs/dbraw/zinc/20/94/02/132209402.db2.gz GESZKUGKYLGXRS-UHFFFAOYSA-N 1 3 363.509 3.767 50 0 FHAAHO CN(Cc1ccc(C[NH+]2CCCC2)s1)C[C@@H]1Cc2ccccc2CN1C ZINC000216050431 568102745 /nfs/dbraw/zinc/10/27/45/568102745.db2.gz XEKWJZOYOXGDBF-FQEVSTJZSA-N 1 3 369.578 3.832 50 0 FHAAHO COCC[NH+]1CCC(CN(Cc2sccc2C)Cc2ccncc2)CC1 ZINC000055280958 571119254 /nfs/dbraw/zinc/11/92/54/571119254.db2.gz IRTXBTYSEJVTGO-UHFFFAOYSA-N 1 3 373.566 3.812 50 0 FHAAHO CN(CCN1CCCCCC1)C(=O)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299779745 571197578 /nfs/dbraw/zinc/19/75/78/571197578.db2.gz SRCPCYRUJQIANF-BDTNDASRSA-N 1 3 369.553 3.546 50 0 FHAAHO CN(CCN1CCCCCC1)C(=O)[C@H]1C[C@@H](c2ccccc2)[N@H+]2CCC[C@H]12 ZINC000299779745 571197581 /nfs/dbraw/zinc/19/75/81/571197581.db2.gz SRCPCYRUJQIANF-BDTNDASRSA-N 1 3 369.553 3.546 50 0 FHAAHO CN(C)[C@H]1CC[N@H+](Cc2ccccc2-c2ccccc2)C[C@H]1CCCO ZINC000091644166 571241613 /nfs/dbraw/zinc/24/16/13/571241613.db2.gz BWARLSTYWHFGDO-GGAORHGYSA-N 1 3 352.522 3.878 50 0 FHAAHO CN(C)[C@H]1CC[N@@H+](Cc2ccccc2-c2ccccc2)C[C@H]1CCCO ZINC000091644166 571241616 /nfs/dbraw/zinc/24/16/16/571241616.db2.gz BWARLSTYWHFGDO-GGAORHGYSA-N 1 3 352.522 3.878 50 0 FHAAHO C[C@@H](c1ccccc1)N1CCC(NC(=O)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000170614632 571268148 /nfs/dbraw/zinc/26/81/48/571268148.db2.gz PYDJQKFWHSKERD-GHTZIAJQSA-N 1 3 357.542 3.593 50 0 FHAAHO C[C@@H](c1ccccc1)N1CCC(NC(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000170614632 571268150 /nfs/dbraw/zinc/26/81/50/571268150.db2.gz PYDJQKFWHSKERD-GHTZIAJQSA-N 1 3 357.542 3.593 50 0 FHAAHO C[NH2+]CC1CCN(Cc2c(C)nn(Cc3ccccc3Cl)c2C)CC1 ZINC000097102808 209171512 /nfs/dbraw/zinc/17/15/12/209171512.db2.gz KCAYKNBLAROGPB-UHFFFAOYSA-N 1 3 360.933 3.633 50 0 FHAAHO Cc1ccc(C[NH+]2CCC3(CCN(Cc4ccco4)C[C@H]3CO)CC2)s1 ZINC000097076207 209168367 /nfs/dbraw/zinc/16/83/67/209168367.db2.gz FEIQYGINJCLWFY-SFHVURJKSA-N 1 3 374.550 3.746 50 0 FHAAHO c1ccc2c(c1)CC([N@@H+]1CC[C@H](C3CCN(Cc4cccnc4)CC3)C1)C2 ZINC000012436285 207377090 /nfs/dbraw/zinc/37/70/90/207377090.db2.gz DDVIYEKYJMGRDH-QHCPKHFHSA-N 1 3 361.533 3.783 50 0 FHAAHO c1ccc2c(c1)CC([N@H+]1CC[C@H](C3CCN(Cc4cccnc4)CC3)C1)C2 ZINC000012436285 207377098 /nfs/dbraw/zinc/37/70/98/207377098.db2.gz DDVIYEKYJMGRDH-QHCPKHFHSA-N 1 3 361.533 3.783 50 0 FHAAHO CCNC(=O)CCN1CC[C@]2(C1)CCC[N@H+](Cc1ccc(C(C)C)cc1)C2 ZINC000426503258 570613366 /nfs/dbraw/zinc/61/33/66/570613366.db2.gz KCEYOHUGQZEISM-QHCPKHFHSA-N 1 3 371.569 3.624 50 0 FHAAHO CCNC(=O)CCN1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(C(C)C)cc1)C2 ZINC000426503258 570613369 /nfs/dbraw/zinc/61/33/69/570613369.db2.gz KCEYOHUGQZEISM-QHCPKHFHSA-N 1 3 371.569 3.624 50 0 FHAAHO C[N@@H+](Cc1ccc(O)cc1)CC1CCN(CCc2cccc(F)c2)CC1 ZINC000014962413 570826779 /nfs/dbraw/zinc/82/67/79/570826779.db2.gz SZWPSZNTHGXOQN-UHFFFAOYSA-N 1 3 356.485 3.918 50 0 FHAAHO C[N@H+](Cc1ccc(O)cc1)CC1CCN(CCc2cccc(F)c2)CC1 ZINC000014962413 570826784 /nfs/dbraw/zinc/82/67/84/570826784.db2.gz SZWPSZNTHGXOQN-UHFFFAOYSA-N 1 3 356.485 3.918 50 0 FHAAHO CCCOc1c(Br)cc(C[NH2+]CCCN(C)C)cc1OCC ZINC000020968184 570927100 /nfs/dbraw/zinc/92/71/00/570927100.db2.gz OLFJVJLDLMDZJZ-UHFFFAOYSA-N 1 3 373.335 3.678 50 0 FHAAHO CCCN1CC2(C[C@H]1C(=O)NC(C)(C)c1ccc(C)cc1)CC[NH+](C)CC2 ZINC000072457593 571197718 /nfs/dbraw/zinc/19/77/18/571197718.db2.gz HFWCRSRTWAOMNY-FQEVSTJZSA-N 1 3 371.569 3.543 50 0 FHAAHO Cc1ccc(C[NH+]2CCC3(CCN(Cc4ccco4)C[C@@H]3CO)CC2)s1 ZINC000097076205 209168609 /nfs/dbraw/zinc/16/86/09/209168609.db2.gz FEIQYGINJCLWFY-GOSISDBHSA-N 1 3 374.550 3.746 50 0 FHAAHO CC(C)=CCC[C@@H](C)C[NH+]1CCC(CCC(=O)NCCN(C)C)CC1 ZINC000012592607 207397544 /nfs/dbraw/zinc/39/75/44/207397544.db2.gz JOBUFUWLUXGWFV-LJQANCHMSA-N 1 3 351.579 3.539 50 0 FHAAHO CN(Cc1cc(C[NH+]2CCCC2)cs1)Cc1ccc2c(c1)CN(C)C2 ZINC000215236127 568059478 /nfs/dbraw/zinc/05/94/78/568059478.db2.gz SWJWBAOQQZAKPR-UHFFFAOYSA-N 1 3 355.551 3.921 50 0 FHAAHO [NH3+]CCc1ccc(CN2CCC[C@@H](C(=O)CCc3ccccc3)C2)cc1 ZINC000072438434 571196847 /nfs/dbraw/zinc/19/68/47/571196847.db2.gz BXNOHIFDAVBEPK-JOCHJYFZSA-N 1 3 350.506 3.602 50 0 FHAAHO NCc1cn(C2CC[NH+](Cc3ccc(C4CCCCC4)s3)CC2)nn1 ZINC000023398988 940335686 /nfs/dbraw/zinc/33/56/86/940335686.db2.gz AEBMBEQOUAJCLP-UHFFFAOYSA-N 1 3 359.543 3.683 50 0 FHAAHO c1cc(OC[C@@H]2CCCO2)ccc1CN1CCC(C[NH+]2CCCC2)CC1 ZINC000120695530 945774543 /nfs/dbraw/zinc/77/45/43/945774543.db2.gz GIOKVMHDYLHEKF-QFIPXVFZSA-N 1 3 358.526 3.552 50 0 FHAAHO Cc1ccc(-c2cc3c(c(OC[C@H]4CCC[N@@H+](C)C4)c2)OCCNC3)s1 ZINC000299790685 210030185 /nfs/dbraw/zinc/03/01/85/210030185.db2.gz BFIVJJNKEKHPKU-INIZCTEOSA-N 1 3 372.534 3.926 50 0 FHAAHO Cc1ccc(-c2cc3c(c(OC[C@H]4CCC[N@H+](C)C4)c2)OCCNC3)s1 ZINC000299790685 210030192 /nfs/dbraw/zinc/03/01/92/210030192.db2.gz BFIVJJNKEKHPKU-INIZCTEOSA-N 1 3 372.534 3.926 50 0 FHAAHO OCc1ccc(C[C@@H]2CC[N@H+](Cc3cc(CN4CCCC4)cs3)C2)cc1 ZINC000091595640 527632792 /nfs/dbraw/zinc/63/27/92/527632792.db2.gz NCNYTOZTDKLSNW-FQEVSTJZSA-N 1 3 370.562 3.901 50 0 FHAAHO OCc1ccc(C[C@@H]2CC[N@@H+](Cc3cc(CN4CCCC4)cs3)C2)cc1 ZINC000091595640 527632799 /nfs/dbraw/zinc/63/27/99/527632799.db2.gz NCNYTOZTDKLSNW-FQEVSTJZSA-N 1 3 370.562 3.901 50 0 FHAAHO COc1ccc(C[N@H+](C)CC2CCN(Cc3ccc(C)o3)CC2)cc1O ZINC000012385606 570741419 /nfs/dbraw/zinc/74/14/19/570741419.db2.gz AVRCYNQGASPHCC-UHFFFAOYSA-N 1 3 358.482 3.646 50 0 FHAAHO COc1ccc(C[N@@H+](C)CC2CCN(Cc3ccc(C)o3)CC2)cc1O ZINC000012385606 570741420 /nfs/dbraw/zinc/74/14/20/570741420.db2.gz AVRCYNQGASPHCC-UHFFFAOYSA-N 1 3 358.482 3.646 50 0 FHAAHO C[NH+](C)[C@H](CNC(=O)Nc1cccc(CN2CCCC2)c1)C1CCCCC1 ZINC000069585886 571099706 /nfs/dbraw/zinc/09/97/06/571099706.db2.gz AMNRDGFSFAYJQH-OAQYLSRUSA-N 1 3 372.557 3.914 50 0 FHAAHO CCN1CC2(CCC1=O)CCN(Cc1cccc([C@@H](C)[NH+](C)C)c1)CC2 ZINC000091745871 571243211 /nfs/dbraw/zinc/24/32/11/571243211.db2.gz SQSDLVKVDQUDHC-GOSISDBHSA-N 1 3 357.542 3.534 50 0 FHAAHO c1cc(OC[C@H]2CCCO2)ccc1CN1CCC(C[NH+]2CCCC2)CC1 ZINC000120695660 945774895 /nfs/dbraw/zinc/77/48/95/945774895.db2.gz GIOKVMHDYLHEKF-JOCHJYFZSA-N 1 3 358.526 3.552 50 0 FHAAHO Cc1ccc(-c2cc3c(c(OC[C@@H]4CCC[N@@H+](C)C4)c2)OCCNC3)s1 ZINC000299790708 210030768 /nfs/dbraw/zinc/03/07/68/210030768.db2.gz BFIVJJNKEKHPKU-MRXNPFEDSA-N 1 3 372.534 3.926 50 0 FHAAHO Cc1ccc(-c2cc3c(c(OC[C@@H]4CCC[N@H+](C)C4)c2)OCCNC3)s1 ZINC000299790708 210030776 /nfs/dbraw/zinc/03/07/76/210030776.db2.gz BFIVJJNKEKHPKU-MRXNPFEDSA-N 1 3 372.534 3.926 50 0 FHAAHO COc1ccccc1-c1ncc(CN2CCCC3(CC[NH2+]CC3)CC2)cn1 ZINC000067841567 221292910 /nfs/dbraw/zinc/29/29/10/221292910.db2.gz RYBOEFOZRQUSSJ-UHFFFAOYSA-N 1 3 366.509 3.508 50 0 FHAAHO CN1CC[N@H+](C)CC12CCN(Cc1ccc(-c3ccccc3Cl)o1)CC2 ZINC000067847129 221293356 /nfs/dbraw/zinc/29/33/56/221293356.db2.gz DZJVWZQAWMUXID-UHFFFAOYSA-N 1 3 373.928 3.812 50 0 FHAAHO CN1CC[N@@H+](C)CC12CCN(Cc1ccc(-c3ccccc3Cl)o1)CC2 ZINC000067847129 221293359 /nfs/dbraw/zinc/29/33/59/221293359.db2.gz DZJVWZQAWMUXID-UHFFFAOYSA-N 1 3 373.928 3.812 50 0 FHAAHO CC(C)=CCC[C@H](C)C[NH+]1CCC(CCC(=O)NCCN(C)C)CC1 ZINC000012592603 570752465 /nfs/dbraw/zinc/75/24/65/570752465.db2.gz JOBUFUWLUXGWFV-IBGZPJMESA-N 1 3 351.579 3.539 50 0 FHAAHO Cc1c[nH+]ccc1N1CCCN(Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000055308145 571119130 /nfs/dbraw/zinc/11/91/30/571119130.db2.gz CFEKYFIFEOPWCJ-UHFFFAOYSA-N 1 3 365.456 3.632 50 0 FHAAHO CN(Cc1ccccc1)C[C@H]1OC(C)(C)O[C@@H]1C[N@H+](C)Cc1ccccc1 ZINC000252500451 571133271 /nfs/dbraw/zinc/13/32/71/571133271.db2.gz SVXWEYMZCNCRQT-FGZHOGPDSA-N 1 3 368.521 3.771 50 0 FHAAHO CN(Cc1ccccc1)C[C@H]1OC(C)(C)O[C@@H]1C[N@@H+](C)Cc1ccccc1 ZINC000252500451 571133273 /nfs/dbraw/zinc/13/32/73/571133273.db2.gz SVXWEYMZCNCRQT-FGZHOGPDSA-N 1 3 368.521 3.771 50 0 FHAAHO C[C@@H](OC[C@@H](O)CNC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(Cl)cc1 ZINC000002652689 571340141 /nfs/dbraw/zinc/34/01/41/571340141.db2.gz QEILUEXGBCCJPY-KDOFPFPSSA-N 1 3 368.949 3.677 50 0 FHAAHO C[C@@H](OC[C@@H](O)C[NH2+]C1CC(C)(C)NC(C)(C)C1)c1ccc(Cl)cc1 ZINC000002652689 571340142 /nfs/dbraw/zinc/34/01/42/571340142.db2.gz QEILUEXGBCCJPY-KDOFPFPSSA-N 1 3 368.949 3.677 50 0 FHAAHO CCCC[N@H+](C)[C@@H]1c2ccccc2C2(CCN(Cc3ccoc3)CC2)[C@H]1O ZINC000020598558 941898669 /nfs/dbraw/zinc/89/86/69/941898669.db2.gz ROEPLSOPWHJLCY-YADHBBJMSA-N 1 3 368.521 3.961 50 0 FHAAHO CCCC[N@@H+](C)[C@@H]1c2ccccc2C2(CCN(Cc3ccoc3)CC2)[C@H]1O ZINC000020598558 941898671 /nfs/dbraw/zinc/89/86/71/941898671.db2.gz ROEPLSOPWHJLCY-YADHBBJMSA-N 1 3 368.521 3.961 50 0 FHAAHO CN(C)CCC[N@H+](C)[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1 ZINC000023375214 211386329 /nfs/dbraw/zinc/38/63/29/211386329.db2.gz KMPNDMNCMHGXMJ-GOSISDBHSA-N 1 3 357.464 3.553 50 0 FHAAHO CN(C)CCC[N@@H+](C)[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1 ZINC000023375214 211386333 /nfs/dbraw/zinc/38/63/33/211386333.db2.gz KMPNDMNCMHGXMJ-GOSISDBHSA-N 1 3 357.464 3.553 50 0 FHAAHO CN(CCC[NH+](C)C)[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1 ZINC000023375214 211386324 /nfs/dbraw/zinc/38/63/24/211386324.db2.gz KMPNDMNCMHGXMJ-GOSISDBHSA-N 1 3 357.464 3.553 50 0 FHAAHO CC(C)(C)C[NH+]1CCC(N2CCC[C@H](C(=O)NCc3ccccc3)C2)CC1 ZINC000014981095 211110287 /nfs/dbraw/zinc/11/02/87/211110287.db2.gz BITQBFXCVZOKGJ-FQEVSTJZSA-N 1 3 371.569 3.525 50 0 FHAAHO CCOc1cc(C)c(CN2CCN(C)C3(CC[NH+](C)CC3)C2)cc1C(C)C ZINC000067955208 221309692 /nfs/dbraw/zinc/30/96/92/221309692.db2.gz DGAYYXGUNHONFU-UHFFFAOYSA-N 1 3 373.585 3.729 50 0 FHAAHO CCN1CC2(CCC1=O)CCN(Cc1ccc([C@H](C)[NH+](C)C)cc1)CC2 ZINC000091656896 221779764 /nfs/dbraw/zinc/77/97/64/221779764.db2.gz BXQHVUZYQODLOS-SFHVURJKSA-N 1 3 357.542 3.534 50 0 FHAAHO CCN(CC)Cc1cc(C(=O)N2CCC[C@H]([NH3+])CC2)c(-c2ccccc2)o1 ZINC000072125534 571170263 /nfs/dbraw/zinc/17/02/63/571170263.db2.gz UKWDYUFDHQGGMZ-SFHVURJKSA-N 1 3 369.509 3.742 50 0 FHAAHO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(-c3ccc4nccc(N)c4c3)cc2)C1 ZINC000534673792 571208975 /nfs/dbraw/zinc/20/89/75/571208975.db2.gz VMOXLABESUVMEP-LJQANCHMSA-N 1 3 374.488 3.650 50 0 FHAAHO CC(C)C[C@@H](O)C1CCN(Cc2cc(C[NH+]3CCCC3)cs2)CC1 ZINC000077425538 571211162 /nfs/dbraw/zinc/21/11/62/571211162.db2.gz HTWULLVWUDXLNV-HXUWFJFHSA-N 1 3 350.572 3.963 50 0 FHAAHO CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]2CCCN2C2CCCC2)cc1 ZINC000089969000 520749698 /nfs/dbraw/zinc/74/96/98/520749698.db2.gz WBXGORCVEWFAKV-NRFANRHFSA-N 1 3 357.542 3.552 50 0 FHAAHO Cc1cc(N2CCCN(CCC(=O)Nc3ccccc3Cl)CC2)cc[nH+]1 ZINC000252489303 571132599 /nfs/dbraw/zinc/13/25/99/571132599.db2.gz JNXOKDFHXWGBHV-UHFFFAOYSA-N 1 3 372.900 3.584 50 0 FHAAHO COc1ccc(C[N@H+](C)CC2CCN(Cc3ccc(C)o3)CC2)cc1OC ZINC000015074692 211119389 /nfs/dbraw/zinc/11/93/89/211119389.db2.gz PEOJKMMRXDZRLR-UHFFFAOYSA-N 1 3 372.509 3.949 50 0 FHAAHO COc1ccc(C[N@@H+](C)CC2CCN(Cc3ccc(C)o3)CC2)cc1OC ZINC000015074692 211119393 /nfs/dbraw/zinc/11/93/93/211119393.db2.gz PEOJKMMRXDZRLR-UHFFFAOYSA-N 1 3 372.509 3.949 50 0 FHAAHO CN(C)Cc1csc(C[N@@H+]2CCCN(Cc3cccc(F)c3)CC2)c1 ZINC000219043806 568263471 /nfs/dbraw/zinc/26/34/71/568263471.db2.gz DNXMTAHYMQAJOW-UHFFFAOYSA-N 1 3 361.530 3.657 50 0 FHAAHO CN(C)Cc1csc(C[N@H+]2CCCN(Cc3cccc(F)c3)CC2)c1 ZINC000219043806 568263472 /nfs/dbraw/zinc/26/34/72/568263472.db2.gz DNXMTAHYMQAJOW-UHFFFAOYSA-N 1 3 361.530 3.657 50 0 FHAAHO CC(C)[NH+]1CCC(C(=O)N2CCC[C@H]2c2ccc(CN(C)C)cc2)CC1 ZINC000095388346 570460716 /nfs/dbraw/zinc/46/07/16/570460716.db2.gz BFUXYTSKFQUEGB-NRFANRHFSA-N 1 3 357.542 3.532 50 0 FHAAHO C[C@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)N(C)C1CCCCC1 ZINC000299792481 210033837 /nfs/dbraw/zinc/03/38/37/210033837.db2.gz FCGKGMOHVTVCSU-GOSISDBHSA-N 1 3 357.542 3.552 50 0 FHAAHO CCC[NH+]1CCC(N2CCC[C@](Cc3ccccc3)(C(=O)OCC)C2)CC1 ZINC000020204015 211269660 /nfs/dbraw/zinc/26/96/60/211269660.db2.gz BMDGAEKUZCTZEV-HSZRJFAPSA-N 1 3 372.553 3.749 50 0 FHAAHO c1ccc(CN2CCC(N3CC[NH+](C[C@H]4CC=CCC4)CC3)CC2)cc1 ZINC000019156862 211203296 /nfs/dbraw/zinc/20/32/96/211203296.db2.gz CJFYRAGTEHBZRC-QFIPXVFZSA-N 1 3 353.554 3.625 50 0 FHAAHO C[C@H](CC(F)(F)F)N[C@H](CN(C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000097228349 222170557 /nfs/dbraw/zinc/17/05/57/222170557.db2.gz FPXBYKNMENJQSI-CRAIPNDOSA-N 1 3 357.464 3.684 50 0 FHAAHO CN(C)Cc1csc(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccc2)C3)c1 ZINC000091625411 521937480 /nfs/dbraw/zinc/93/74/80/521937480.db2.gz NPHVVKBNCXHOCM-PZJWPPBQSA-N 1 3 369.578 3.906 50 0 FHAAHO CN(C)Cc1csc(CN2C[C@H]3CC[C@@H]2C[N@@H+](Cc2ccccc2)C3)c1 ZINC000091625411 521937491 /nfs/dbraw/zinc/93/74/91/521937491.db2.gz NPHVVKBNCXHOCM-PZJWPPBQSA-N 1 3 369.578 3.906 50 0 FHAAHO C[NH+](C)[C@@H](CNC(=O)Nc1cccc(CN2CCCC2)c1)C1CCCCC1 ZINC000069585881 571099659 /nfs/dbraw/zinc/09/96/59/571099659.db2.gz AMNRDGFSFAYJQH-NRFANRHFSA-N 1 3 372.557 3.914 50 0 FHAAHO Clc1ccc(C[N@@H+]2CC[C@@H](C3CCN(Cc4cnc[nH]4)CC3)C2)cc1 ZINC000019739585 211251465 /nfs/dbraw/zinc/25/14/65/211251465.db2.gz LHEKNONCEQMITH-GOSISDBHSA-N 1 3 358.917 3.797 50 0 FHAAHO Clc1ccc(C[N@H+]2CC[C@@H](C3CCN(Cc4cnc[nH]4)CC3)C2)cc1 ZINC000019739585 211251470 /nfs/dbraw/zinc/25/14/70/211251470.db2.gz LHEKNONCEQMITH-GOSISDBHSA-N 1 3 358.917 3.797 50 0 FHAAHO CC(C)[NH+]1CCC(N2CCC[C@H](C(=O)NCCC3=CCCCC3)C2)CC1 ZINC000019225004 211207284 /nfs/dbraw/zinc/20/72/84/211207284.db2.gz UTXZZQCMHMJXBK-FQEVSTJZSA-N 1 3 361.574 3.578 50 0 FHAAHO CN(C(=O)CC[C@@H]1CCC[N@H+](CC2CCCCC2)C1)C1CCN(C)CC1 ZINC000015074953 211119017 /nfs/dbraw/zinc/11/90/17/211119017.db2.gz BGWBDYZIXORBGK-FQEVSTJZSA-N 1 3 363.590 3.612 50 0 FHAAHO CN(C(=O)CC[C@@H]1CCC[N@@H+](CC2CCCCC2)C1)C1CCN(C)CC1 ZINC000015074953 211119022 /nfs/dbraw/zinc/11/90/22/211119022.db2.gz BGWBDYZIXORBGK-FQEVSTJZSA-N 1 3 363.590 3.612 50 0 FHAAHO C[C@H](OC[C@@H](O)CNC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(Cl)cc1 ZINC000002652688 571340111 /nfs/dbraw/zinc/34/01/11/571340111.db2.gz QEILUEXGBCCJPY-KSSFIOAISA-N 1 3 368.949 3.677 50 0 FHAAHO C[C@H](OC[C@@H](O)C[NH2+]C1CC(C)(C)NC(C)(C)C1)c1ccc(Cl)cc1 ZINC000002652688 571340112 /nfs/dbraw/zinc/34/01/12/571340112.db2.gz QEILUEXGBCCJPY-KSSFIOAISA-N 1 3 368.949 3.677 50 0 FHAAHO CN1CCC(Cc2nc([C@H]3C[C@@H](c4ccccc4)[N@@H+]4CCC[C@H]34)no2)CC1 ZINC000299768422 210017906 /nfs/dbraw/zinc/01/79/06/210017906.db2.gz KQTDUKCBUJUOGA-ZCNNSNEGSA-N 1 3 366.509 3.647 50 0 FHAAHO CN1CCC(Cc2nc([C@H]3C[C@@H](c4ccccc4)[N@H+]4CCC[C@H]34)no2)CC1 ZINC000299768422 210017912 /nfs/dbraw/zinc/01/79/12/210017912.db2.gz KQTDUKCBUJUOGA-ZCNNSNEGSA-N 1 3 366.509 3.647 50 0 FHAAHO CN(C(=O)CC[C@H]1CCC[N@H+](CC2CCCCC2)C1)C1CCN(C)CC1 ZINC000015074954 211119693 /nfs/dbraw/zinc/11/96/93/211119693.db2.gz BGWBDYZIXORBGK-HXUWFJFHSA-N 1 3 363.590 3.612 50 0 FHAAHO CN(C(=O)CC[C@H]1CCC[N@@H+](CC2CCCCC2)C1)C1CCN(C)CC1 ZINC000015074954 211119696 /nfs/dbraw/zinc/11/96/96/211119696.db2.gz BGWBDYZIXORBGK-HXUWFJFHSA-N 1 3 363.590 3.612 50 0 FHAAHO C[C@@H]1CCCC[C@@H]1[NH+]1CCN(C2CCN(Cc3ccccc3)CC2)CC1 ZINC000019790289 220296062 /nfs/dbraw/zinc/29/60/62/220296062.db2.gz YXHARZAGOLQRDD-OFNKIYASSA-N 1 3 355.570 3.847 50 0 FHAAHO CC[NH+](CC)Cc1ccc(CNC(=O)[C@H]2CCCN2C2CCCC2)cc1 ZINC000089969001 520749602 /nfs/dbraw/zinc/74/96/02/520749602.db2.gz WBXGORCVEWFAKV-OAQYLSRUSA-N 1 3 357.542 3.552 50 0 FHAAHO C[C@H](OC[C@@H](O)C[NH2+]CCCN1CCCCCC1)c1ccc(Cl)cc1 ZINC000006051594 571114809 /nfs/dbraw/zinc/11/48/09/571114809.db2.gz DNXUXQKZKCFGGZ-PXNSSMCTSA-N 1 3 368.949 3.634 50 0 FHAAHO C[NH+]1CCC(C2CCN(Cc3cnn(-c4cccc(F)c4)c3)CC2)CC1 ZINC000072168351 571177075 /nfs/dbraw/zinc/17/70/75/571177075.db2.gz KLEDFIAPNXJTQN-UHFFFAOYSA-N 1 3 356.489 3.565 50 0 FHAAHO COc1ccc(CN2CCCC[C@H]2CC[NH+](C)C)cc1CN1CCCC1 ZINC000072409122 571191441 /nfs/dbraw/zinc/19/14/41/571191441.db2.gz AEAFEKYJSQKDPZ-NRFANRHFSA-N 1 3 359.558 3.597 50 0 FHAAHO C[C@@H](CC(F)(F)F)N[C@@H](CN(C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000097228344 571216389 /nfs/dbraw/zinc/21/63/89/571216389.db2.gz FPXBYKNMENJQSI-YJBOKZPZSA-N 1 3 357.464 3.684 50 0 FHAAHO CC(C)[NH+]1CCC(C(=O)NC[C@@H](c2ccccc2)N2CCCCCC2)CC1 ZINC000670460196 571356533 /nfs/dbraw/zinc/35/65/33/571356533.db2.gz WLYPSYBIJYJWCC-QFIPXVFZSA-N 1 3 371.569 3.840 50 0 FHAAHO C[NH+](C)CC(C)(C)CN1CC[C@H](c2ccnc(-c3cccc(O)c3)c2)C1 ZINC000065464046 221223035 /nfs/dbraw/zinc/22/30/35/221223035.db2.gz ANGDNBFSOMQAEQ-IBGZPJMESA-N 1 3 353.510 3.831 50 0 FHAAHO COc1ccc(-c2nc(CN3CCC[C@@H](CC[NH3+])C3)c(C)o2)c(OC)c1C ZINC000067854714 221294951 /nfs/dbraw/zinc/29/49/51/221294951.db2.gz QBCLELSYMAUVBZ-INIZCTEOSA-N 1 3 373.497 3.536 50 0 FHAAHO COc1ccc(-c2nc(CN3CCC[C@H](CC[NH3+])C3)c(C)o2)c(OC)c1C ZINC000067854713 221295721 /nfs/dbraw/zinc/29/57/21/221295721.db2.gz QBCLELSYMAUVBZ-MRXNPFEDSA-N 1 3 373.497 3.536 50 0 FHAAHO CC(C)[NH+]1CCC(O)(CN[C@H](C)c2ccc(SC(F)F)cc2)CC1 ZINC000097228525 222169974 /nfs/dbraw/zinc/16/99/74/222169974.db2.gz UIVKJFCRHWEHIB-CQSZACIVSA-N 1 3 358.498 3.887 50 0 FHAAHO CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H]2c2ccc(CN(C)C)cc2)CC1 ZINC000095388345 570460884 /nfs/dbraw/zinc/46/08/84/570460884.db2.gz BFUXYTSKFQUEGB-OAQYLSRUSA-N 1 3 357.542 3.532 50 0 FHAAHO C[C@@H]1C[C@H](N(C)C(=O)C[C@@H](N)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000237585438 570566786 /nfs/dbraw/zinc/56/67/86/570566786.db2.gz SIFJTXFRBYLKEX-STZQEDGTSA-N 1 3 365.521 3.588 50 0 FHAAHO C[C@@H]1C[C@H](N(C)C(=O)C[C@@H](N)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000237585438 570566791 /nfs/dbraw/zinc/56/67/91/570566791.db2.gz SIFJTXFRBYLKEX-STZQEDGTSA-N 1 3 365.521 3.588 50 0 FHAAHO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(-c3ccc4nccc(N)c4c3)cc2)C1 ZINC000534673791 571208978 /nfs/dbraw/zinc/20/89/78/571208978.db2.gz VMOXLABESUVMEP-IBGZPJMESA-N 1 3 374.488 3.650 50 0 FHAAHO CC(C)(C)C[NH+]1CCC(N2CCC[C@@H](C(=O)NCc3ccccc3)C2)CC1 ZINC000014981093 220139372 /nfs/dbraw/zinc/13/93/72/220139372.db2.gz BITQBFXCVZOKGJ-HXUWFJFHSA-N 1 3 371.569 3.525 50 0 FHAAHO CC(C)(CN1CCCC1)C[NH+]1CCC(n2cc(C3CCCC3)nn2)CC1 ZINC000055109180 221058422 /nfs/dbraw/zinc/05/84/22/221058422.db2.gz INVCQCNLMSEXJG-UHFFFAOYSA-N 1 3 359.562 3.695 50 0 FHAAHO CC(C)[NH+]1CCC(O)(CN[C@@H](C)c2ccc(SC(F)F)cc2)CC1 ZINC000097228523 222170913 /nfs/dbraw/zinc/17/09/13/222170913.db2.gz UIVKJFCRHWEHIB-AWEZNQCLSA-N 1 3 358.498 3.887 50 0 FHAAHO COc1ccc(C[NH+]2CCC3(CCOCC3)CC2)cc1CN1CCCC1 ZINC000097696370 222205816 /nfs/dbraw/zinc/20/58/16/222205816.db2.gz LHJHTSFPHBTPRZ-UHFFFAOYSA-N 1 3 358.526 3.684 50 0 FHAAHO CCN1CCC(c2nc([C@H]3C[C@@H](c4ccccc4)[N@@H+]4CCC[C@H]34)no2)CC1 ZINC000299773692 528989839 /nfs/dbraw/zinc/98/98/39/528989839.db2.gz GXRAHJCKIUCQNT-ZCNNSNEGSA-N 1 3 366.509 3.962 50 0 FHAAHO CCN1CCC(c2nc([C@H]3C[C@@H](c4ccccc4)[N@H+]4CCC[C@H]34)no2)CC1 ZINC000299773692 528989845 /nfs/dbraw/zinc/98/98/45/528989845.db2.gz GXRAHJCKIUCQNT-ZCNNSNEGSA-N 1 3 366.509 3.962 50 0 FHAAHO O=C(NCC1([NH+]2CCCC2)CCCC1)c1ccc(CN2CCCCC2)cc1 ZINC000095511966 570465733 /nfs/dbraw/zinc/46/57/33/570465733.db2.gz VZLBUVXEPOECHJ-UHFFFAOYSA-N 1 3 369.553 3.811 50 0 FHAAHO CCN(Cc1cccc(F)c1F)CC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000011703327 570705677 /nfs/dbraw/zinc/70/56/77/570705677.db2.gz JITXGWIORVXQGL-UHFFFAOYSA-N 1 3 365.512 3.593 50 0 FHAAHO C[C@@H](OC[C@H](O)C[NH2+]CCCN1CCCCCC1)c1ccc(Cl)cc1 ZINC000006051593 571114779 /nfs/dbraw/zinc/11/47/79/571114779.db2.gz DNXUXQKZKCFGGZ-YLJYHZDGSA-N 1 3 368.949 3.634 50 0 FHAAHO C[C@H](c1ccccc1)N1CCC(NC(=O)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000170614633 571268099 /nfs/dbraw/zinc/26/80/99/571268099.db2.gz PYDJQKFWHSKERD-WIYYLYMNSA-N 1 3 357.542 3.593 50 0 FHAAHO C[C@H](c1ccccc1)N1CCC(NC(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000170614633 571268101 /nfs/dbraw/zinc/26/81/01/571268101.db2.gz PYDJQKFWHSKERD-WIYYLYMNSA-N 1 3 357.542 3.593 50 0 FHAAHO CN(Cc1cccc(OC2CC[NH2+]CC2)c1)Cc1cccc2ncccc12 ZINC000299757124 529995695 /nfs/dbraw/zinc/99/56/95/529995695.db2.gz HZGHPLNNYMIOOJ-UHFFFAOYSA-N 1 3 361.489 3.998 50 0 FHAAHO CN(C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)CC(C)(C)CO ZINC000012709912 220018992 /nfs/dbraw/zinc/01/89/92/220018992.db2.gz GFJCCUGTGPMEFU-SFHVURJKSA-N 1 3 352.950 3.545 50 0 FHAAHO CN(C[C@@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1)CC(C)(C)CO ZINC000012709912 220018993 /nfs/dbraw/zinc/01/89/93/220018993.db2.gz GFJCCUGTGPMEFU-SFHVURJKSA-N 1 3 352.950 3.545 50 0 FHAAHO Fc1ccccc1CN1CCC(C[N@H+](CC2CC2)C[C@@H]2CCCO2)CC1 ZINC000012707372 220019304 /nfs/dbraw/zinc/01/93/04/220019304.db2.gz UFPHXPLBZUJCDA-NRFANRHFSA-N 1 3 360.517 3.929 50 0 FHAAHO Fc1ccccc1CN1CCC(C[N@@H+](CC2CC2)C[C@@H]2CCCO2)CC1 ZINC000012707372 220019306 /nfs/dbraw/zinc/01/93/06/220019306.db2.gz UFPHXPLBZUJCDA-NRFANRHFSA-N 1 3 360.517 3.929 50 0 FHAAHO C[N@H+](CC1CCN(CCc2cccc(F)c2)CC1)C1CCSCC1 ZINC000015077867 220147178 /nfs/dbraw/zinc/14/71/78/220147178.db2.gz HRBBHSWYXBZNBL-UHFFFAOYSA-N 1 3 350.547 3.908 50 0 FHAAHO C[N@@H+](CC1CCN(CCc2cccc(F)c2)CC1)C1CCSCC1 ZINC000015077867 220147180 /nfs/dbraw/zinc/14/71/80/220147180.db2.gz HRBBHSWYXBZNBL-UHFFFAOYSA-N 1 3 350.547 3.908 50 0 FHAAHO Cc1ccc2c(N3CCC(CO)(C[NH+]4CCCC4)CC3)ccnc2c1C ZINC000220005584 132275656 /nfs/dbraw/zinc/27/56/56/132275656.db2.gz KDIFZABNRMKMKY-UHFFFAOYSA-N 1 3 353.510 3.526 50 0 FHAAHO C[C@H](CC(F)(F)F)N[C@@H](CN(C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000097228346 222170087 /nfs/dbraw/zinc/17/00/87/222170087.db2.gz FPXBYKNMENJQSI-QAPCUYQASA-N 1 3 357.464 3.684 50 0 FHAAHO c1cc(C[NH+]2CCC3(CCOCC3)CC2)cc(OCCN2CCCCC2)c1 ZINC000216268520 568115572 /nfs/dbraw/zinc/11/55/72/568115572.db2.gz ZBCPAPOGHJXMKP-UHFFFAOYSA-N 1 3 372.553 3.944 50 0 FHAAHO CCN(Cc1cccc(OC[C@@H](O)C[N@H+](C)C2CCCCC2)c1)C1CC1 ZINC000095503385 570463363 /nfs/dbraw/zinc/46/33/63/570463363.db2.gz XEHNMAINWAQVTH-NRFANRHFSA-N 1 3 360.542 3.675 50 0 FHAAHO CCN(Cc1cccc(OC[C@@H](O)C[N@@H+](C)C2CCCCC2)c1)C1CC1 ZINC000095503385 570463365 /nfs/dbraw/zinc/46/33/65/570463365.db2.gz XEHNMAINWAQVTH-NRFANRHFSA-N 1 3 360.542 3.675 50 0 FHAAHO CCOC(=O)[C@@]1(Cc2ccccc2)CCCN(C2CC[NH+](C(C)C)CC2)C1 ZINC000011879393 570597992 /nfs/dbraw/zinc/59/79/92/570597992.db2.gz IHTNOMZOWJWLSN-HSZRJFAPSA-N 1 3 372.553 3.747 50 0 FHAAHO C[C@@H](OC[C@@H](O)C[NH2+]CCCN1CCCCCC1)c1ccc(Cl)cc1 ZINC000006051595 571114857 /nfs/dbraw/zinc/11/48/57/571114857.db2.gz DNXUXQKZKCFGGZ-XLIONFOSSA-N 1 3 368.949 3.634 50 0 FHAAHO C[C@@H](C1CC[NH+](Cc2ccc(-c3ccccn3)cc2)CC1)N1CCOCC1 ZINC000072407373 571191187 /nfs/dbraw/zinc/19/11/87/571191187.db2.gz DHSGXUONDXYCIL-IBGZPJMESA-N 1 3 365.521 3.681 50 0 FHAAHO CCN1CC2(CCC1=O)CCN(Cc1ccc([C@@H](C)[NH+](C)C)cc1)CC2 ZINC000091656895 571241816 /nfs/dbraw/zinc/24/18/16/571241816.db2.gz BXQHVUZYQODLOS-GOSISDBHSA-N 1 3 357.542 3.534 50 0 FHAAHO CN(C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)CC(C)(C)CO ZINC000012709918 220020148 /nfs/dbraw/zinc/02/01/48/220020148.db2.gz GFJCCUGTGPMEFU-GOSISDBHSA-N 1 3 352.950 3.545 50 0 FHAAHO CN(C[C@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1)CC(C)(C)CO ZINC000012709918 220020149 /nfs/dbraw/zinc/02/01/49/220020149.db2.gz GFJCCUGTGPMEFU-GOSISDBHSA-N 1 3 352.950 3.545 50 0 FHAAHO C[C@H]1CCCC[C@@H]1[NH+]1CCN(C2CCN(Cc3ccccc3)CC2)CC1 ZINC000019790290 220297134 /nfs/dbraw/zinc/29/71/34/220297134.db2.gz YXHARZAGOLQRDD-REWPJTCUSA-N 1 3 355.570 3.847 50 0 FHAAHO Cc1cc(N2CCC[C@@H](c3nccn3CC[NH+](C)C)C2)c2ccccc2n1 ZINC000095357622 132207602 /nfs/dbraw/zinc/20/76/02/132207602.db2.gz TYVUGVDCDIVXHA-GOSISDBHSA-N 1 3 363.509 3.685 50 0 FHAAHO C[NH+](C)CCCn1ccnc1[C@H]1CCCN(c2ccnc3ccccc32)C1 ZINC000095385016 132209789 /nfs/dbraw/zinc/20/97/89/132209789.db2.gz ONDKFZCRRXRSDL-SFHVURJKSA-N 1 3 363.509 3.767 50 0 FHAAHO CC(C)(O)[C@H]1CCC[N@H+](Cc2ccccc2OCCN2CCCCC2)C1 ZINC000215290534 568062181 /nfs/dbraw/zinc/06/21/81/568062181.db2.gz YRGMEFUIEOMBND-FQEVSTJZSA-N 1 3 360.542 3.534 50 0 FHAAHO CC(C)(O)[C@H]1CCC[N@@H+](Cc2ccccc2OCCN2CCCCC2)C1 ZINC000215290534 568062182 /nfs/dbraw/zinc/06/21/82/568062182.db2.gz YRGMEFUIEOMBND-FQEVSTJZSA-N 1 3 360.542 3.534 50 0 FHAAHO COc1ccc(CC[NH+]2CCC(CN(C)Cc3cccc(C)n3)CC2)cc1 ZINC000011665497 570704575 /nfs/dbraw/zinc/70/45/75/570704575.db2.gz VHEKOOQCNJWXQK-UHFFFAOYSA-N 1 3 367.537 3.785 50 0 FHAAHO C[N@H+](Cc1ccccc1)CC(C)(C)CNCCC(=O)NC1CCCCC1 ZINC000072309905 571071160 /nfs/dbraw/zinc/07/11/60/571071160.db2.gz XSXYFNLPONJICJ-UHFFFAOYSA-N 1 3 359.558 3.573 50 0 FHAAHO C[N@@H+](Cc1ccccc1)CC(C)(C)CNCCC(=O)NC1CCCCC1 ZINC000072309905 571071163 /nfs/dbraw/zinc/07/11/63/571071163.db2.gz XSXYFNLPONJICJ-UHFFFAOYSA-N 1 3 359.558 3.573 50 0 FHAAHO CCC[NH+]1CCC(N2CCC(n3cc(-c4ccc(F)cc4)nn3)CC2)CC1 ZINC000048428293 571108294 /nfs/dbraw/zinc/10/82/94/571108294.db2.gz MGNOBYREMSFFDE-UHFFFAOYSA-N 1 3 371.504 3.596 50 0 FHAAHO C[C@H](c1ccccc1)N1CCC(NC(=O)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000170614631 571268187 /nfs/dbraw/zinc/26/81/87/571268187.db2.gz PYDJQKFWHSKERD-NQIIRXRSSA-N 1 3 357.542 3.593 50 0 FHAAHO C[C@H](c1ccccc1)N1CCC(NC(=O)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000170614631 571268189 /nfs/dbraw/zinc/26/81/89/571268189.db2.gz PYDJQKFWHSKERD-NQIIRXRSSA-N 1 3 357.542 3.593 50 0 FHAAHO C[C@@H](OC[C@H](O)CNC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(Cl)cc1 ZINC000002652687 571340134 /nfs/dbraw/zinc/34/01/34/571340134.db2.gz QEILUEXGBCCJPY-RDTXWAMCSA-N 1 3 368.949 3.677 50 0 FHAAHO C[C@@H](OC[C@H](O)C[NH2+]C1CC(C)(C)NC(C)(C)C1)c1ccc(Cl)cc1 ZINC000002652687 571340135 /nfs/dbraw/zinc/34/01/35/571340135.db2.gz QEILUEXGBCCJPY-RDTXWAMCSA-N 1 3 368.949 3.677 50 0 FHAAHO C[C@H]1CCCC[C@H]1[NH+]1CCN(C2CCN(Cc3ccccc3)CC2)CC1 ZINC000019790292 220296979 /nfs/dbraw/zinc/29/69/79/220296979.db2.gz YXHARZAGOLQRDD-NZQKXSOJSA-N 1 3 355.570 3.847 50 0 FHAAHO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000048711589 221014120 /nfs/dbraw/zinc/01/41/20/221014120.db2.gz HSBCNOKCIULSPZ-INIZCTEOSA-N 1 3 358.917 3.716 50 0 FHAAHO C[NH+](C)CC(C)(C)CN1CC[C@@H](c2ccnc(-c3cccc(O)c3)c2)C1 ZINC000065464053 221223023 /nfs/dbraw/zinc/22/30/23/221223023.db2.gz ANGDNBFSOMQAEQ-LJQANCHMSA-N 1 3 353.510 3.831 50 0 FHAAHO C[C@@H]1C[C@H](N(C)C(=O)C[C@H](N)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000263357949 525414676 /nfs/dbraw/zinc/41/46/76/525414676.db2.gz SIFJTXFRBYLKEX-QIJUGHKUSA-N 1 3 365.521 3.588 50 0 FHAAHO C[C@@H]1C[C@H](N(C)C(=O)C[C@H](N)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000263357949 525414682 /nfs/dbraw/zinc/41/46/82/525414682.db2.gz SIFJTXFRBYLKEX-QIJUGHKUSA-N 1 3 365.521 3.588 50 0 FHAAHO CC(C)(O)[C@@H]1CCC[N@H+](Cc2ccccc2OCCN2CCCCC2)C1 ZINC000215290484 568062200 /nfs/dbraw/zinc/06/22/00/568062200.db2.gz YRGMEFUIEOMBND-HXUWFJFHSA-N 1 3 360.542 3.534 50 0 FHAAHO CC(C)(O)[C@@H]1CCC[N@@H+](Cc2ccccc2OCCN2CCCCC2)C1 ZINC000215290484 568062201 /nfs/dbraw/zinc/06/22/01/568062201.db2.gz YRGMEFUIEOMBND-HXUWFJFHSA-N 1 3 360.542 3.534 50 0 FHAAHO c1coc([C@H](C[NH2+]C2CCN(Cc3ccccc3)CC2)N2CCCC2)c1 ZINC000022912364 570701375 /nfs/dbraw/zinc/70/13/75/570701375.db2.gz UYBZORVQUQCHCU-NRFANRHFSA-N 1 3 353.510 3.671 50 0 FHAAHO c1coc([C@H](CNC2CC[NH+](Cc3ccccc3)CC2)N2CCCC2)c1 ZINC000022912364 570701377 /nfs/dbraw/zinc/70/13/77/570701377.db2.gz UYBZORVQUQCHCU-NRFANRHFSA-N 1 3 353.510 3.671 50 0 FHAAHO COc1ccc(CC[N@@H+](Cc2ccc(C)o2)CC2CCN(C)CC2)cc1 ZINC000011933122 570711979 /nfs/dbraw/zinc/71/19/79/570711979.db2.gz DMQBWEWPTOOVBM-UHFFFAOYSA-N 1 3 356.510 3.983 50 0 FHAAHO COc1ccc(CC[N@H+](Cc2ccc(C)o2)CC2CCN(C)CC2)cc1 ZINC000011933122 570711982 /nfs/dbraw/zinc/71/19/82/570711982.db2.gz DMQBWEWPTOOVBM-UHFFFAOYSA-N 1 3 356.510 3.983 50 0 FHAAHO c1ccc(C[NH+]2CCC(N3C[C@H]4CC[C@H](CN4CC4CCC4)C3)CC2)cc1 ZINC000091595471 571241123 /nfs/dbraw/zinc/24/11/23/571241123.db2.gz QMOLEYMEKIBWAE-ISKFKSNPSA-N 1 3 367.581 3.847 50 0 FHAAHO Cc1ccc(CN2CCC(C[N@@H+](C)Cc3ccc4c(c3)OCCO4)CC2)o1 ZINC000014976235 220138759 /nfs/dbraw/zinc/13/87/59/220138759.db2.gz FJSSTKCFTGSUPO-UHFFFAOYSA-N 1 3 370.493 3.703 50 0 FHAAHO Cc1ccc(CN2CCC(C[N@H+](C)Cc3ccc4c(c3)OCCO4)CC2)o1 ZINC000014976235 220138762 /nfs/dbraw/zinc/13/87/62/220138762.db2.gz FJSSTKCFTGSUPO-UHFFFAOYSA-N 1 3 370.493 3.703 50 0 FHAAHO COCCN1CCC(C[N@@H+]2CCC[C@H](CCc3ccc(F)cc3)C2)CC1 ZINC000071416118 221345844 /nfs/dbraw/zinc/34/58/44/221345844.db2.gz QALHWIYUSKRZBJ-HXUWFJFHSA-N 1 3 362.533 3.829 50 0 FHAAHO COCCN1CCC(C[N@H+]2CCC[C@H](CCc3ccc(F)cc3)C2)CC1 ZINC000071416118 221345848 /nfs/dbraw/zinc/34/58/48/221345848.db2.gz QALHWIYUSKRZBJ-HXUWFJFHSA-N 1 3 362.533 3.829 50 0 FHAAHO c1ccc(CN2CCC(N3CCC([NH+]4CCCCCC4)CC3)CC2)cc1 ZINC000004745525 570604476 /nfs/dbraw/zinc/60/44/76/570604476.db2.gz PPTICESUZMXBJZ-UHFFFAOYSA-N 1 3 355.570 3.991 50 0 FHAAHO C[C@H](C1CC[NH+](Cc2ccc(-c3ccccn3)cc2)CC1)N1CCOCC1 ZINC000072407374 571191153 /nfs/dbraw/zinc/19/11/53/571191153.db2.gz DHSGXUONDXYCIL-LJQANCHMSA-N 1 3 365.521 3.681 50 0 FHAAHO CC(C)N(CCN1CCCCCC1)C(=O)c1ccc([C@@H]2CCC[NH2+]2)s1 ZINC000055254722 221064108 /nfs/dbraw/zinc/06/41/08/221064108.db2.gz WYVHKQVPRAKCBD-KRWDZBQOSA-N 1 3 363.571 3.899 50 0 FHAAHO Oc1cc(-c2cccc(Cl)c2)cc2c1OCCN(CC1CC[NH2+]CC1)C2 ZINC000067840033 221291895 /nfs/dbraw/zinc/29/18/95/221291895.db2.gz YNRYEXLSGBWLPD-UHFFFAOYSA-N 1 3 372.896 3.907 50 0 FHAAHO Cc1ccccc1-c1cc(O)c2c(c1)CN(CC1CC[NH2+]CC1)CCO2 ZINC000067872026 221298769 /nfs/dbraw/zinc/29/87/69/221298769.db2.gz GNFAHKJIDYYEDK-UHFFFAOYSA-N 1 3 352.478 3.562 50 0 FHAAHO CC(C)C[C@H](O)C1CCN(Cc2cc(C[NH+]3CCCC3)cs2)CC1 ZINC000077425534 221624735 /nfs/dbraw/zinc/62/47/35/221624735.db2.gz HTWULLVWUDXLNV-FQEVSTJZSA-N 1 3 350.572 3.963 50 0 FHAAHO Cc1csc(-c2c(O)cn(C3CC[NH+](Cc4ccccc4)CC3)c2N)n1 ZINC000102719000 222305148 /nfs/dbraw/zinc/30/51/48/222305148.db2.gz MQVUUWOWCOMHLG-UHFFFAOYSA-N 1 3 368.506 3.678 50 0 FHAAHO c1coc([C@@H](C[NH2+]C2CCN(Cc3ccccc3)CC2)N2CCCC2)c1 ZINC000022912367 570701360 /nfs/dbraw/zinc/70/13/60/570701360.db2.gz UYBZORVQUQCHCU-OAQYLSRUSA-N 1 3 353.510 3.671 50 0 FHAAHO c1coc([C@@H](CNC2CC[NH+](Cc3ccccc3)CC2)N2CCCC2)c1 ZINC000022912367 570701362 /nfs/dbraw/zinc/70/13/62/570701362.db2.gz UYBZORVQUQCHCU-OAQYLSRUSA-N 1 3 353.510 3.671 50 0 FHAAHO COCC[N@H+](CC=C(C)C)CC1CCN(Cc2ccccc2OC)CC1 ZINC000012429339 570744099 /nfs/dbraw/zinc/74/40/99/570744099.db2.gz WDPVYESDBXQKDM-UHFFFAOYSA-N 1 3 360.542 3.822 50 0 FHAAHO COCC[N@@H+](CC=C(C)C)CC1CCN(Cc2ccccc2OC)CC1 ZINC000012429339 570744102 /nfs/dbraw/zinc/74/41/02/570744102.db2.gz WDPVYESDBXQKDM-UHFFFAOYSA-N 1 3 360.542 3.822 50 0 FHAAHO CC(C)[NH+]1CCC(C(=O)NC[C@H](c2ccccc2)N2CCCCCC2)CC1 ZINC000670460188 571356526 /nfs/dbraw/zinc/35/65/26/571356526.db2.gz WLYPSYBIJYJWCC-JOCHJYFZSA-N 1 3 371.569 3.840 50 0 FHAAHO c1ccc([C@@H]2C[C@H](c3noc(CCCN4CCCC4)n3)[C@H]3CCC[N@H+]32)cc1 ZINC000299782827 223095185 /nfs/dbraw/zinc/09/51/85/223095185.db2.gz DWMZMEBCQRNTFZ-ZCNNSNEGSA-N 1 3 366.509 3.791 50 0 FHAAHO c1ccc([C@@H]2C[C@H](c3noc(CCCN4CCCC4)n3)[C@H]3CCC[N@@H+]32)cc1 ZINC000299782827 223095189 /nfs/dbraw/zinc/09/51/89/223095189.db2.gz DWMZMEBCQRNTFZ-ZCNNSNEGSA-N 1 3 366.509 3.791 50 0 FHAAHO COCCN1CCC(C[N@@H+]2CCC[C@@H](CCc3ccc(F)cc3)C2)CC1 ZINC000071416119 221346491 /nfs/dbraw/zinc/34/64/91/221346491.db2.gz QALHWIYUSKRZBJ-FQEVSTJZSA-N 1 3 362.533 3.829 50 0 FHAAHO COCCN1CCC(C[N@H+]2CCC[C@@H](CCc3ccc(F)cc3)C2)CC1 ZINC000071416119 221346494 /nfs/dbraw/zinc/34/64/94/221346494.db2.gz QALHWIYUSKRZBJ-FQEVSTJZSA-N 1 3 362.533 3.829 50 0 FHAAHO C[N@@H+]1CCC[C@@H]1CCN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000244872962 571118196 /nfs/dbraw/zinc/11/81/96/571118196.db2.gz WHNHEPICTDPYCG-HSZRJFAPSA-N 1 3 363.549 3.878 50 0 FHAAHO C[N@H+]1CCC[C@@H]1CCN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000244872962 571118198 /nfs/dbraw/zinc/11/81/98/571118198.db2.gz WHNHEPICTDPYCG-HSZRJFAPSA-N 1 3 363.549 3.878 50 0 FHAAHO C[C@H]1C2=C(CC[C@@]3(O2)C(=O)[C@@H](C)C(C)(C)NC3(C)C)C(C)(C)[NH2+]C1(C)C ZINC000252427770 571278640 /nfs/dbraw/zinc/27/86/40/571278640.db2.gz FFFHGNSTGIUZOS-DJEJFTSGSA-N 1 3 362.558 3.952 50 0 FHAAHO