smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCC1(C[NH2+]C2CCC3(CC[NH2+]CC3)CC2)CCC1 ZINC000952969835 650790913 /nfs/dbraw/zinc/79/09/13/650790913.db2.gz GKJCJQCFWVGRRH-UHFFFAOYSA-N 2 0 280.456 2.705 50 0 CFAARP CC[C@H](O)C1CC[NH+](CC(C)(C)C[NH+]2CCCC2)CC1 ZINC000822594968 781906510 /nfs/dbraw/zinc/90/65/10/781906510.db2.gz PEUPQCICSZXYJD-INIZCTEOSA-N 2 0 282.472 2.591 50 0 CFAARP CC[C@@H]([NH2+]C1CC[NH+](CC(C)C)CC1)[C@H]1CCCO1 ZINC000096491742 529681850 /nfs/dbraw/zinc/68/18/50/529681850.db2.gz LTOHEWCDCPPCSW-HZPDHXFCSA-N 2 0 268.445 2.654 50 0 CFAARP C[NH+](C)C1CCC([NH2+]C[C@H](CCO)c2ccccc2)CC1 ZINC000170609062 348056752 /nfs/dbraw/zinc/05/67/52/348056752.db2.gz KDHOJAMGKWWOQU-AOCRQIFASA-N 2 0 290.451 2.615 50 0 CFAARP Cc1cc(C)[n+](CC[n+]2c(C)cc(C)cc2C)c(C)c1 ZINC000000405018 371606681 /nfs/dbraw/zinc/60/66/81/371606681.db2.gz ATACBVPAGHRTQO-UHFFFAOYSA-N 2 0 270.420 2.812 50 0 CFAARP C[NH2+]CC1CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC000011889222 371934473 /nfs/dbraw/zinc/93/44/73/371934473.db2.gz HTIBPJUCZFPXPN-UHFFFAOYSA-N 2 0 266.816 2.814 50 0 CFAARP COc1ccc(CC[C@H](C)[NH2+]CCC[NH+](C)C)cc1 ZINC000012383434 371958762 /nfs/dbraw/zinc/95/87/62/371958762.db2.gz HIRPXTQYHKMJFL-AWEZNQCLSA-N 2 0 264.413 2.558 50 0 CFAARP CC[N@@H+]1CCC[C@H](C[NH+](C)C2CCSCC2)C1 ZINC000032593228 372447287 /nfs/dbraw/zinc/44/72/87/372447287.db2.gz NTYIEYPUKUXUHT-CYBMUJFWSA-N 2 0 256.459 2.546 50 0 CFAARP COc1ccc(F)c(F)c1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000067689258 373991801 /nfs/dbraw/zinc/99/18/01/373991801.db2.gz JOZCMWQIQNCCAG-UHFFFAOYSA-N 2 0 296.361 2.549 50 0 CFAARP OCC[NH+]1CCC(C[NH2+]Cc2ccc3ccccc3c2)CC1 ZINC000069418085 374062236 /nfs/dbraw/zinc/06/22/36/374062236.db2.gz GJSJQJSZOLVPSG-UHFFFAOYSA-N 2 0 298.430 2.634 50 0 CFAARP CCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](C(C)C)CC2)C12CCC2 ZINC000087709186 374827568 /nfs/dbraw/zinc/82/75/68/374827568.db2.gz ATKRYHLUUZEZQF-CVEARBPZSA-N 2 0 280.456 2.797 50 0 CFAARP COCc1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000097032566 375496742 /nfs/dbraw/zinc/49/67/42/375496742.db2.gz UXDYJYJBCPTKSI-UHFFFAOYSA-N 2 0 297.402 2.550 50 0 CFAARP CC(C)Cc1ccc(C[N@@H+]2CC[C@H](C[NH3+])C2)s1 ZINC000097515119 375568724 /nfs/dbraw/zinc/56/87/24/375568724.db2.gz BCJLCDFQNSSIPH-GFCCVEGCSA-N 2 0 252.427 2.727 50 0 CFAARP CC[NH+](CC)CCC[C@]1(C[NH3+])OCCc2ccccc21 ZINC000000207112 284609125 /nfs/dbraw/zinc/60/91/25/284609125.db2.gz VXKMWKHCSLNYBI-QGZVFWFLSA-N 2 0 276.424 2.535 50 0 CFAARP Nc1cc(C[N@@H+]2CCSC3(CCCCC3)C2)ccn1 ZINC000191538896 382701290 /nfs/dbraw/zinc/70/12/90/382701290.db2.gz GNGUOXUZDVXGIK-UHFFFAOYSA-N 2 0 277.437 2.916 50 0 CFAARP CCc1ccc(CN(C)CC(C)(C)C[NH+](C)C)nc1 ZINC000216184578 382782137 /nfs/dbraw/zinc/78/21/37/382782137.db2.gz GTQJQNAPTVNZFX-UHFFFAOYSA-N 2 0 263.429 2.664 50 0 CFAARP Cc1nc([C@H]2CCC[N@@H+]2CC2CC[NH2+]CC2)cs1 ZINC000261954927 383585859 /nfs/dbraw/zinc/58/58/59/383585859.db2.gz OLXOFJAFULRCJS-CQSZACIVSA-N 2 0 265.426 2.588 50 0 CFAARP C[C@H](C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)c1ccc(F)cc1 ZINC000262033450 383597473 /nfs/dbraw/zinc/59/74/73/383597473.db2.gz XKYSIIQWJNVUPP-JMGFVUJMSA-N 2 0 262.372 2.598 50 0 CFAARP C[C@H](NCC[NH+]1CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000096502722 393834609 /nfs/dbraw/zinc/83/46/09/393834609.db2.gz JZUXBIADDVIZDY-IRXDYDNUSA-N 2 0 293.499 2.715 50 0 CFAARP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1ccc(F)cc1 ZINC000002498251 169795885 /nfs/dbraw/zinc/79/58/85/169795885.db2.gz UYWGGDGTRIQWJQ-UHFFFAOYSA-N 2 0 295.446 2.531 50 0 CFAARP COc1ccccc1C[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000044533354 175197895 /nfs/dbraw/zinc/19/78/95/175197895.db2.gz VFETUJSFKPCWAY-HUUCEWRRSA-N 2 0 276.424 2.558 50 0 CFAARP C[NH2+]CC1CC[NH+](Cc2ccc3c(c2)CCC3)CC1 ZINC000070499096 175958196 /nfs/dbraw/zinc/95/81/96/175958196.db2.gz YAGGNXGCQUVWIB-UHFFFAOYSA-N 2 0 258.409 2.607 50 0 CFAARP C[C@@H](O)C[NH+]1CCC(C[NH2+]Cc2ccc(Cl)cc2)CC1 ZINC000069329491 278395782 /nfs/dbraw/zinc/39/57/82/278395782.db2.gz BARSLAVRVXVJOD-CYBMUJFWSA-N 2 0 296.842 2.522 50 0 CFAARP COc1ccc([C@]2(CC[NH3+])C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000013118894 295253227 /nfs/dbraw/zinc/25/32/27/295253227.db2.gz QCPLMTXDUPTFBC-GRDNDAEWSA-N 2 0 276.424 2.642 50 0 CFAARP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@@H+](CCCCOc1ccccc1)C2 ZINC000534646478 328329296 /nfs/dbraw/zinc/32/92/96/328329296.db2.gz ONDNGZKNMXMELU-SCAQPMJSSA-N 2 0 274.408 2.515 50 0 CFAARP CC(C)(C)CC[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000188001444 324005751 /nfs/dbraw/zinc/00/57/51/324005751.db2.gz COMIFICOLYTMFB-CQSZACIVSA-N 2 0 268.445 2.513 50 0 CFAARP CC(C)(C)CC[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000188001421 324006095 /nfs/dbraw/zinc/00/60/95/324006095.db2.gz COMIFICOLYTMFB-AWEZNQCLSA-N 2 0 268.445 2.513 50 0 CFAARP CCc1cc(NCC[N@@H+]2CCCOCC2)c2ccccc2[nH+]1 ZINC000188489961 650332276 /nfs/dbraw/zinc/33/22/76/650332276.db2.gz UOMOOJLPTQSIJE-UHFFFAOYSA-N 2 0 299.418 2.931 50 0 CFAARP COCC[NH+]1CCC(Nc2cc[nH+]c3ccccc23)CC1 ZINC000110285085 647821972 /nfs/dbraw/zinc/82/19/72/647821972.db2.gz MOMNNJPNXJEARC-UHFFFAOYSA-N 2 0 285.391 2.758 50 0 CFAARP CCC[NH+]1CCC(N2CC[N@H+](C(C)C)[C@@H](CC)C2)CC1 ZINC000019781996 651293890 /nfs/dbraw/zinc/29/38/90/651293890.db2.gz QXEREMLSTNKZRI-INIZCTEOSA-N 2 0 281.488 2.665 50 0 CFAARP CC[N@@H+]1CCC[C@@H](CN2CCC[NH+](C3CCCC3)CC2)C1 ZINC000020999194 651302706 /nfs/dbraw/zinc/30/27/06/651302706.db2.gz GDAJOKJEOCFCAI-QGZVFWFLSA-N 2 0 293.499 2.669 50 0 CFAARP C[C@H](C1CC[NH+](CCCc2cn[nH]c2)CC1)[NH+]1CCCC1 ZINC000032577582 779065268 /nfs/dbraw/zinc/06/52/68/779065268.db2.gz KINPMQJCHRQLRN-OAHLLOKOSA-N 2 0 290.455 2.539 50 0 CFAARP Cc1ccccc1COC1CCN(CC[NH2+]C(C)C)CC1 ZINC000225396504 348177558 /nfs/dbraw/zinc/17/75/58/348177558.db2.gz UCXHAUIZFDMBHA-UHFFFAOYSA-N 2 0 290.451 2.974 50 0 CFAARP Cc1ccccc1OC[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000245343816 348252154 /nfs/dbraw/zinc/25/21/54/348252154.db2.gz VUWRZGJYAXLRIP-BBWFWOEESA-N 2 0 288.435 2.979 50 0 CFAARP C[N@H+](Cc1cc(C[NH+]2CCCC2)cs1)CC1(C)COC1 ZINC000823683749 781936601 /nfs/dbraw/zinc/93/66/01/781936601.db2.gz KUMQFANCJAJQTD-UHFFFAOYSA-N 2 0 294.464 2.812 50 0 CFAARP CCc1nccn1C[C@H](C)N1CC(Oc2ccc(C)cc2)C1 ZINC000670438597 540995057 /nfs/dbraw/zinc/99/50/57/540995057.db2.gz ZZJGSWQSCNUFIQ-HNNXBMFYSA-N 2 0 299.418 2.906 50 0 CFAARP c1ccc2c(c1)N(CC[NH+]1CCCCC1)C1=[NH+]CCCN21 ZINC000000182866 371551735 /nfs/dbraw/zinc/55/17/35/371551735.db2.gz QFLIQNMFQUWTBE-UHFFFAOYSA-N 2 0 284.407 2.559 50 0 CFAARP Cc1cc(C)c[n+](CCCC[n+]2cc(C)cc(C)c2)c1 ZINC000002165315 371718968 /nfs/dbraw/zinc/71/89/68/371718968.db2.gz CXYIKUKDGYNKIF-UHFFFAOYSA-N 2 0 270.420 2.976 50 0 CFAARP Cc1cccc(CN(CCC[NH+](C)C)CCC[NH+](C)C)c1 ZINC000002489916 371728026 /nfs/dbraw/zinc/72/80/26/371728026.db2.gz JPSUVWKVJVULMG-UHFFFAOYSA-N 2 0 291.483 2.700 50 0 CFAARP C[NH2+]C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000011888808 371933465 /nfs/dbraw/zinc/93/34/65/371933465.db2.gz UBQXDXFPOHBPAE-AWEZNQCLSA-N 2 0 266.816 2.814 50 0 CFAARP Cc1cc(C)c(OCC[NH2+]CC2CC[NH+](C)CC2)c(C)c1 ZINC000032540712 372443336 /nfs/dbraw/zinc/44/33/36/372443336.db2.gz FIHVCVJFGJWAOK-UHFFFAOYSA-N 2 0 290.451 2.922 50 0 CFAARP CCOc1cc(C[NH2+]C[C@H]2CC[N@H+](CC)C2)ccc1OC ZINC000037644237 372681711 /nfs/dbraw/zinc/68/17/11/372681711.db2.gz LKLLGNPVOCCTPT-OAHLLOKOSA-N 2 0 292.423 2.525 50 0 CFAARP C[N@@H+]1CCC[C@@H]1CCOc1cccc(C[NH2+]C2CC2)c1 ZINC000299795611 382049717 /nfs/dbraw/zinc/04/97/17/382049717.db2.gz LLIHFGDVKDWWIN-MRXNPFEDSA-N 2 0 274.408 2.802 50 0 CFAARP CC1(C)C[N@H+](CCn2ccnc2)Cc2ccccc2O1 ZINC000377547070 382289464 /nfs/dbraw/zinc/28/94/64/382289464.db2.gz ZCTUTATUNKCOKM-UHFFFAOYSA-N 2 0 271.364 2.556 50 0 CFAARP C[C@H](c1ccc(C[N@H+](C)CCn2ccnc2)cc1)[NH+](C)C ZINC000215353177 382778742 /nfs/dbraw/zinc/77/87/42/382778742.db2.gz SUOHSGAPMQOQAT-OAHLLOKOSA-N 2 0 286.423 2.638 50 0 CFAARP Cc1cc(C)nc(C[N@H+](C)Cc2ccc(CC[NH3+])cc2)c1 ZINC000216362258 382783026 /nfs/dbraw/zinc/78/30/26/382783026.db2.gz IQMAEXIICVMZKG-UHFFFAOYSA-N 2 0 283.419 2.832 50 0 CFAARP CCC(CC)[NH+]1CCC(N2CCC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000225410225 382815570 /nfs/dbraw/zinc/81/55/70/382815570.db2.gz RSSYKOUHCFKMGS-GJZGRUSLSA-N 3 0 281.488 2.699 50 0 CFAARP C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)C[C@H]1C ZINC000253370467 383453270 /nfs/dbraw/zinc/45/32/70/383453270.db2.gz RGFQUUVMZGPWSO-KONPQCLYSA-N 2 0 294.483 2.902 50 0 CFAARP COC[C@H](C)[NH2+]CCC1CC[NH+](C2CCCC2)CC1 ZINC000065432474 285352777 /nfs/dbraw/zinc/35/27/77/285352777.db2.gz CKOJYJHMXKFYNM-AWEZNQCLSA-N 2 0 268.445 2.656 50 0 CFAARP COCC[C@@H]1CCC[N@H+](CC(C)(C)C[NH+]2CCCC2)C1 ZINC000824384148 781990906 /nfs/dbraw/zinc/99/09/06/781990906.db2.gz PXWHLNSYBMQWAK-INIZCTEOSA-N 2 0 282.472 2.857 50 0 CFAARP Cc1c[nH+]ccc1N1CCCN(c2cc[nH+]cc2C)CC1 ZINC000004721656 393458980 /nfs/dbraw/zinc/45/89/80/393458980.db2.gz ASILHPOFVOONEE-UHFFFAOYSA-N 2 0 282.391 2.810 50 0 CFAARP O=c1[nH]c2ccccc2cc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000071939942 176303323 /nfs/dbraw/zinc/30/33/23/176303323.db2.gz WRHVLAHSOUXIHZ-CYBMUJFWSA-N 2 0 297.402 2.514 50 0 CFAARP CCC[NH+]1CCC(C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000241564188 276257261 /nfs/dbraw/zinc/25/72/61/276257261.db2.gz OSAZFWMIPVEPLZ-GVDBMIGSSA-N 2 0 294.483 2.902 50 0 CFAARP CC(C)(C[NH+]1CCCC1)C[N@@H+]1CCC[C@@H](CCCO)C1 ZINC000828748556 782105400 /nfs/dbraw/zinc/10/54/00/782105400.db2.gz KBXDVRGXCBFXJN-INIZCTEOSA-N 2 0 282.472 2.593 50 0 CFAARP C[N@H+](CCCc1cccnc1)C[C@@H]1CC[NH+](C)C1(C)C ZINC000252482845 619060835 /nfs/dbraw/zinc/06/08/35/619060835.db2.gz DOZVRYVISFQAGJ-INIZCTEOSA-N 2 0 275.440 2.676 50 0 CFAARP CCCC[N@H+](CCCCO)CCC1CC[NH+](C)CC1 ZINC000032547773 779035878 /nfs/dbraw/zinc/03/58/78/779035878.db2.gz HVPJUIYANFUDNK-UHFFFAOYSA-N 2 0 270.461 2.593 50 0 CFAARP C[N@@H+]1CC[C@@H](C[NH3+])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000101424696 283041643 /nfs/dbraw/zinc/04/16/43/283041643.db2.gz IXNHRSPFKLGGAC-CMPLNLGQSA-N 2 0 258.287 2.657 50 0 CFAARP CC[NH+]1CCN(C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000019888980 372203874 /nfs/dbraw/zinc/20/38/74/372203874.db2.gz YILRBLMNNNHMEW-FUHWJXTLSA-N 2 0 293.499 2.667 50 0 CFAARP c1[nH]nc(-c2ccccc2)c1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000042229099 372891445 /nfs/dbraw/zinc/89/14/45/372891445.db2.gz GSWMTSBZBQORJB-CQSZACIVSA-N 2 0 296.418 2.651 50 0 CFAARP Cc1n[nH]c(C)c1CCC[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000067855985 374011013 /nfs/dbraw/zinc/01/10/13/374011013.db2.gz PQCRONXPEUCBMS-UHFFFAOYSA-N 2 0 292.471 2.669 50 0 CFAARP C(=C/c1ccccc1)\C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000067955865 374017230 /nfs/dbraw/zinc/01/72/30/374017230.db2.gz DWOGWBSAGUEGPZ-QPJJXVBHSA-N 2 0 256.393 2.775 50 0 CFAARP C[C@H](C1CC[NH+](Cc2cccs2)CC1)[NH+]1CCOCC1 ZINC000072480272 374256290 /nfs/dbraw/zinc/25/62/90/374256290.db2.gz VTIINHJPIFIFRA-CQSZACIVSA-N 2 0 294.464 2.681 50 0 CFAARP OCc1ccc(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)o1 ZINC000080373598 374652491 /nfs/dbraw/zinc/65/24/91/374652491.db2.gz FHFTXMLIVZOYQW-UHFFFAOYSA-N 2 0 292.423 2.659 50 0 CFAARP COc1cccc(CCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000089549539 374921600 /nfs/dbraw/zinc/92/16/00/374921600.db2.gz DQHPUMSWRXQKSJ-IAGOWNOFSA-N 2 0 288.435 2.844 50 0 CFAARP Cc1ccccc1C[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000089689312 374938550 /nfs/dbraw/zinc/93/85/50/374938550.db2.gz QGBWPOXQNBJZAK-CVEARBPZSA-N 2 0 272.436 3.000 50 0 CFAARP O[C@@H]1CC[C@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000189312769 382590262 /nfs/dbraw/zinc/59/02/62/382590262.db2.gz NNTHZSWCDKARBH-WMLDXEAASA-N 2 0 280.456 2.534 50 0 CFAARP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000221869233 382799850 /nfs/dbraw/zinc/79/98/50/382799850.db2.gz RMTOIAKLZVQARC-BBRMVZONSA-N 2 0 284.407 2.554 50 0 CFAARP CC[C@H](C)[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000230217218 382857418 /nfs/dbraw/zinc/85/74/18/382857418.db2.gz TUSXVMKYEJGDTC-KKUMJFAQSA-N 2 0 268.445 2.606 50 0 CFAARP Fc1cccc2ccc(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)nc12 ZINC000426701344 383409897 /nfs/dbraw/zinc/40/98/97/383409897.db2.gz CKLNEHPMNPHJGM-UHFFFAOYSA-N 2 0 299.393 2.949 50 0 CFAARP C[C@H]([NH2+][C@H]1CCSC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000252485894 397628497 /nfs/dbraw/zinc/62/84/97/397628497.db2.gz BWUXZJWQECJIGD-IHRRRGAJSA-N 2 0 268.470 2.735 50 0 CFAARP CCO[C@H]1C[C@H]([NH2+]C2CC[NH+](C(C)C)CC2)C12CCC2 ZINC000087709184 276490222 /nfs/dbraw/zinc/49/02/22/276490222.db2.gz ATKRYHLUUZEZQF-HOTGVXAUSA-N 2 0 280.456 2.797 50 0 CFAARP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000085636000 278342064 /nfs/dbraw/zinc/34/20/64/278342064.db2.gz BVTLXIGKCFSFJA-ZNMIVQPWSA-N 2 0 280.456 2.652 50 0 CFAARP C[C@H](O)C[NH+]1CCC(C[NH2+]Cc2ccc(Cl)cc2)CC1 ZINC000069329483 290086031 /nfs/dbraw/zinc/08/60/31/290086031.db2.gz BARSLAVRVXVJOD-ZDUSSCGKSA-N 2 0 296.842 2.522 50 0 CFAARP CCSC[C@@H](C)[NH2+]CC1(C[NH+]2CCCC2)CC1 ZINC000534675291 328355963 /nfs/dbraw/zinc/35/59/63/328355963.db2.gz IHHZKHLLDJPGKY-CYBMUJFWSA-N 2 0 256.459 2.594 50 0 CFAARP c1cnc2ccc(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)cc2c1 ZINC000262128806 526544735 /nfs/dbraw/zinc/54/47/35/526544735.db2.gz XZFQCILWCFUZCD-UHFFFAOYSA-N 2 0 281.403 2.810 50 0 CFAARP CC[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1cccc(OC)n1 ZINC000888098538 619132439 /nfs/dbraw/zinc/13/24/39/619132439.db2.gz KGWRDVUYCYBNDJ-OAHLLOKOSA-N 2 0 291.439 2.863 50 0 CFAARP O[C@@H]1C[N@H+](CC2CCCCC2)CC[C@H]1[NH+]1CCCCCC1 ZINC000011772276 626186278 /nfs/dbraw/zinc/18/62/78/626186278.db2.gz DDJMVGJILXXBHL-QZTJIDSGSA-N 2 0 294.483 2.878 50 0 CFAARP Cc1[nH+]c2ccccc2c(NCC[N@@H+]2CCCOCC2)c1C ZINC000188496740 650334123 /nfs/dbraw/zinc/33/41/23/650334123.db2.gz DMAVZRHYLJENCF-UHFFFAOYSA-N 2 0 299.418 2.986 50 0 CFAARP CC(C)(C[NH+]1CCCC1)C[N@@H+]1CCC[C@H](C(C)(C)O)C1 ZINC000821259989 781881112 /nfs/dbraw/zinc/88/11/12/781881112.db2.gz CVRTVFIJIXBROK-HNNXBMFYSA-N 2 0 282.472 2.591 50 0 CFAARP CC(C)C[NH+]1CCC([NH2+][C@H](C)CCCC[NH+](C)C)CC1 ZINC000096006898 185062675 /nfs/dbraw/zinc/06/26/75/185062675.db2.gz RDEQAKKPBHXRJB-MRXNPFEDSA-N 3 0 283.504 2.817 50 0 CFAARP C[C@H](CC[C@@H]1CCCO1)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000110693587 347748904 /nfs/dbraw/zinc/74/89/04/347748904.db2.gz YBZJXKRRDPZJQF-QXSJWSMHSA-N 2 0 266.429 2.551 50 0 CFAARP CCc1nccn1C[C@@H](C)[NH2+]Cc1nc2ccccc2n1C ZINC000584884932 348726324 /nfs/dbraw/zinc/72/63/24/348726324.db2.gz QJGBPKKQNMYHOE-CYBMUJFWSA-N 2 0 297.406 2.511 50 0 CFAARP C[NH+]1CCC2(CC1)C[C@H](c1ccccc1)C[N@H+](C)C2 ZINC000091626124 180210273 /nfs/dbraw/zinc/21/02/73/180210273.db2.gz COWOILUANTXDLX-INIZCTEOSA-N 2 0 258.409 2.818 50 0 CFAARP C[N@@H+]1CCC[C@@H]1CC[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000000277390 371576835 /nfs/dbraw/zinc/57/68/35/371576835.db2.gz RSNBIESXEKYLMW-OBYDGYHJSA-N 2 0 262.441 2.885 50 0 CFAARP O=C1[C@@H](C[NH+]2CCCCC2)CCC[C@H]1C[NH+]1CCCCC1 ZINC000004134601 371836119 /nfs/dbraw/zinc/83/61/19/371836119.db2.gz UZXQQNLALYSWNF-CALCHBBNSA-N 2 0 292.467 2.944 50 0 CFAARP c1ccc2c(c1)cccc2C[NH2+]CC1CC[NH2+]CC1 ZINC000010434634 371908426 /nfs/dbraw/zinc/90/84/26/371908426.db2.gz RXCVTSXGQIWUNK-UHFFFAOYSA-N 2 0 254.377 2.929 50 0 CFAARP CC[NH+]1CCN(C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000019888978 372203975 /nfs/dbraw/zinc/20/39/75/372203975.db2.gz YILRBLMNNNHMEW-AEFFLSMTSA-N 2 0 293.499 2.667 50 0 CFAARP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1ccccc1F ZINC000036907736 372610047 /nfs/dbraw/zinc/61/00/47/372610047.db2.gz WFPZAPNLWPQIOM-WWGRRREGSA-N 2 0 264.388 2.687 50 0 CFAARP CC(C)[NH+]1CCC([NH2+]CCCOc2ccccc2)CC1 ZINC000049825178 373319295 /nfs/dbraw/zinc/31/92/95/373319295.db2.gz CBYLFRIKKWQABO-UHFFFAOYSA-N 2 0 276.424 2.918 50 0 CFAARP Cc1cccc(N2CCC([NH2+][C@@H]3CC[C@@H]([NH3+])C3)CC2)c1C ZINC000077469864 374562183 /nfs/dbraw/zinc/56/21/83/374562183.db2.gz RFXOLKMSGSCADI-NVXWUHKLSA-N 2 0 287.451 2.742 50 0 CFAARP CCC[NH+]1CCC([NH2+][C@@H]2C[C@@H](OCC)C23CCC3)CC1 ZINC000087709189 374828234 /nfs/dbraw/zinc/82/82/34/374828234.db2.gz GPACHYKNZQBJDA-HZPDHXFCSA-N 2 0 280.456 2.798 50 0 CFAARP C[NH+](C)CCOCC[NH2+]Cc1ccc2ccccc2c1 ZINC000097101480 375518674 /nfs/dbraw/zinc/51/86/74/375518674.db2.gz OBAKIWKYWLGNLC-UHFFFAOYSA-N 2 0 272.392 2.508 50 0 CFAARP CO[C@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1cc(C[NH+](C)C)cs1)C2 ZINC000102521313 375678336 /nfs/dbraw/zinc/67/83/36/375678336.db2.gz SGSNAPCGBQJNJW-FOLVSLTJSA-N 2 0 294.464 2.667 50 0 CFAARP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCc2ccccc2C1 ZINC000299872892 382051244 /nfs/dbraw/zinc/05/12/44/382051244.db2.gz ZDYVYGLUBXDKJC-DLBZAZTESA-N 2 0 258.409 2.618 50 0 CFAARP O[C@H]1CC[C@@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000189312698 382590385 /nfs/dbraw/zinc/59/03/85/382590385.db2.gz NNTHZSWCDKARBH-PBHICJAKSA-N 2 0 280.456 2.534 50 0 CFAARP CC(C)[NH2+]CCN1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000193441764 382719795 /nfs/dbraw/zinc/71/97/95/382719795.db2.gz VFYBPYWPTSHAFI-QGZVFWFLSA-N 2 0 294.414 2.569 50 0 CFAARP CC[C@H](C)C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000221854598 382799931 /nfs/dbraw/zinc/79/99/31/382799931.db2.gz QJZLPMYSRGDOBI-JYJNAYRXSA-N 2 0 282.472 2.854 50 0 CFAARP CC[C@H](c1ccccn1)[N@H+](C)C[C@H]1CC[C@@H]([NH3+])CC1 ZINC000244831572 382993409 /nfs/dbraw/zinc/99/34/09/382993409.db2.gz UGJSHBVSLXRHGJ-IJEWVQPXSA-N 2 0 261.413 2.982 50 0 CFAARP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](CC)C[C@H]2C)C12CCC2 ZINC000247950018 383202263 /nfs/dbraw/zinc/20/22/63/383202263.db2.gz DXSRRUVTCJPAEB-FXUDXRNXSA-N 2 0 280.456 2.654 50 0 CFAARP C[NH2+]C[C@@H]1CCC[N@@H+]([C@H](C)c2cccc(OC)c2)C1 ZINC000251557512 383390246 /nfs/dbraw/zinc/39/02/46/383390246.db2.gz RRFBGSKHALYDPT-KGLIPLIRSA-N 2 0 262.397 2.688 50 0 CFAARP C[C@@H]1C[C@@](CC[NH3+])(Cc2ccccc2)[C@@H](C)C[N@@H+]1C ZINC000013510381 393477572 /nfs/dbraw/zinc/47/75/72/393477572.db2.gz RYJLDVIZDHEQLN-UXLLHSPISA-N 2 0 260.425 2.924 50 0 CFAARP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2ccncc2)cc1 ZINC000408514036 397564892 /nfs/dbraw/zinc/56/48/92/397564892.db2.gz GCCAIPKVTOMVMV-UHFFFAOYSA-N 2 0 269.392 2.775 50 0 CFAARP COc1ccc([C@]2(CC[NH3+])C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000004340228 286381111 /nfs/dbraw/zinc/38/11/11/286381111.db2.gz QCPLMTXDUPTFBC-JKIFEVAISA-N 2 0 276.424 2.642 50 0 CFAARP Brc1ccc(C[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000010434623 275369287 /nfs/dbraw/zinc/36/92/87/275369287.db2.gz YQMFZSSRWASLHF-UHFFFAOYSA-N 2 0 283.213 2.538 50 0 CFAARP CC[C@H](C)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000170637855 280733084 /nfs/dbraw/zinc/73/30/84/280733084.db2.gz TUSXVMKYEJGDTC-RRFJBIMHSA-N 2 0 268.445 2.606 50 0 CFAARP C[NH+](C)C1CCC([NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)CC1 ZINC000225635438 289066350 /nfs/dbraw/zinc/06/63/50/289066350.db2.gz QVGKBBQQCDHIST-YWWDTZIBSA-N 2 0 292.467 2.797 50 0 CFAARP c1cc2ccc(C[N@@H+]3CCCC4(CC[NH2+]CC4)C3)nc2[nH]1 ZINC000534592130 328318691 /nfs/dbraw/zinc/31/86/91/328318691.db2.gz WAGMJABGRPODPB-UHFFFAOYSA-N 2 0 284.407 2.529 50 0 CFAARP CC(C)[C@@H]1[NH2+]CC12CC[NH+](Cc1ccccc1)CC2 ZINC000757115591 617715737 /nfs/dbraw/zinc/71/57/37/617715737.db2.gz HCHZOVDFSRMRQR-INIZCTEOSA-N 2 0 258.409 2.897 50 0 CFAARP C[C@@H](CC[C@H]1CC1(Cl)Cl)[NH2+]CCn1ccnc1 ZINC000888098222 619132210 /nfs/dbraw/zinc/13/22/10/619132210.db2.gz DIQDWIMYXSMTPD-QWRGUYRKSA-N 2 0 276.211 2.835 50 0 CFAARP C[C@H](CC[C@@H]1CCCO1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000096484330 230381092 /nfs/dbraw/zinc/38/10/92/230381092.db2.gz YBZJXKRRDPZJQF-FPCVCCKLSA-N 2 0 266.429 2.551 50 0 CFAARP C[NH+](C)Cc1csc(CN2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000097831171 230387619 /nfs/dbraw/zinc/38/76/19/230387619.db2.gz WAEKZAIDHILBQU-HNNXBMFYSA-N 2 0 295.496 2.726 50 0 CFAARP C[C@H](CCC[NH+](C)C)[NH2+]CCc1ccccc1F ZINC000096009134 185063548 /nfs/dbraw/zinc/06/35/48/185063548.db2.gz LUZNLFWBZSYXED-CYBMUJFWSA-N 2 0 252.377 2.688 50 0 CFAARP CC(C)[NH2+]CC(C[NH2+]C(C)C)OCc1ccccc1 ZINC000006256356 346214431 /nfs/dbraw/zinc/21/44/31/346214431.db2.gz OSKILWVTHDIETO-UHFFFAOYSA-N 2 0 264.413 2.568 50 0 CFAARP Cc1c[nH+]c(C2CC2)n1[C@@H]1CC[N@H+](Cc2cccnc2)C1 ZINC000409421096 348600707 /nfs/dbraw/zinc/60/07/07/348600707.db2.gz HIYRTICAPBLHOZ-MRXNPFEDSA-N 2 0 282.391 2.911 50 0 CFAARP C[NH+]1CCC(C[NH2+][C@@H]2CCSC2)(c2ccccc2)CC1 ZINC000584885706 348727525 /nfs/dbraw/zinc/72/75/25/348727525.db2.gz ZJTHGXGCWUGLAF-MRXNPFEDSA-N 2 0 290.476 2.745 50 0 CFAARP C[N@@H+](Cc1cc(C[NH+]2CCCC2)cs1)C[C@H]1CCOC1 ZINC000670448033 540998336 /nfs/dbraw/zinc/99/83/36/540998336.db2.gz GLKANSVRLGTRQC-CQSZACIVSA-N 2 0 294.464 2.812 50 0 CFAARP C[N@@H+]1CCC2(C1)CC[NH+](C[C@H]1CCOC(C)(C)C1)CC2 ZINC000823769864 781937254 /nfs/dbraw/zinc/93/72/54/781937254.db2.gz JOHPZLZKEPIGJC-HNNXBMFYSA-N 2 0 280.456 2.609 50 0 CFAARP C(C[NH2+]C1C2CC3CC(C2)CC1C3)C[NH+]1CCCC1 ZINC000001821711 371708676 /nfs/dbraw/zinc/70/86/76/371708676.db2.gz NRCPSSPRJLREJB-UHFFFAOYSA-N 2 0 262.441 2.887 50 0 CFAARP Cc1cc(C[n+]2ccccc2)c(C)cc1C[n+]1ccccc1 ZINC000003122811 371774189 /nfs/dbraw/zinc/77/41/89/371774189.db2.gz RZWBINZHDFDNPJ-UHFFFAOYSA-N 2 0 290.410 2.975 50 0 CFAARP CSCCC[N@@H+]1CC[C@]2(C1)CCC[NH+](CC1CC1)C2 ZINC000012580229 371976816 /nfs/dbraw/zinc/97/68/16/371976816.db2.gz IHTGGNDJTVLQRI-INIZCTEOSA-N 2 0 282.497 2.937 50 0 CFAARP c1[nH]nc(-c2ccccc2)c1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000042229096 372890602 /nfs/dbraw/zinc/89/06/02/372890602.db2.gz GSWMTSBZBQORJB-AWEZNQCLSA-N 2 0 296.418 2.651 50 0 CFAARP Cc1ccccc1C[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000089689313 374938454 /nfs/dbraw/zinc/93/84/54/374938454.db2.gz QGBWPOXQNBJZAK-HOTGVXAUSA-N 2 0 272.436 3.000 50 0 CFAARP c1cc(C[NH2+]CCC2CCN(c3cc[nH+]cc3)CC2)ccn1 ZINC000095999408 375466330 /nfs/dbraw/zinc/46/63/30/375466330.db2.gz BMZJZOXUMVNXGZ-UHFFFAOYSA-N 2 0 296.418 2.873 50 0 CFAARP Cc1cc(NCC2([NH+]3CCOCC3)CCCCC2)cc[nH+]1 ZINC000302277416 382234710 /nfs/dbraw/zinc/23/47/10/382234710.db2.gz IFGAZURWHCWQFH-UHFFFAOYSA-N 2 0 289.423 2.837 50 0 CFAARP CC1=CCC[C@H](C)[C@H]1C[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000191119370 382691890 /nfs/dbraw/zinc/69/18/90/382691890.db2.gz QFVUVBKRHQVZGU-BZSNNMDCSA-N 2 0 293.499 2.594 50 0 CFAARP Cc1c(F)cccc1C[N@H+](C)CCCC[NH+]1CCOCC1 ZINC000216296745 382782991 /nfs/dbraw/zinc/78/29/91/382782991.db2.gz HQIWLRDTGHXDDQ-UHFFFAOYSA-N 2 0 294.414 2.678 50 0 CFAARP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccccc2F)[C@@H](C)C1 ZINC000222107674 382800797 /nfs/dbraw/zinc/80/07/97/382800797.db2.gz UWGIMAMCYKMEOJ-XJKSGUPXSA-N 2 0 264.388 2.688 50 0 CFAARP [NH3+][C@@H]1CC[C@@H]2CN(Cc3ncc(-c4ccccc4)s3)C[C@H]12 ZINC000225616055 382819504 /nfs/dbraw/zinc/81/95/04/382819504.db2.gz UVTCEELAJRNNTR-QLFBSQMISA-N 2 0 299.443 2.979 50 0 CFAARP Cc1cc(C)c[n+](CCC[n+]2cc(C)cc(C)c2)c1 ZINC000000396352 393449613 /nfs/dbraw/zinc/44/96/13/393449613.db2.gz PZUCIYDCAXZVQT-UHFFFAOYSA-N 2 0 256.393 2.586 50 0 CFAARP CCS[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](CC)C[C@@H]2C)C1 ZINC000108324462 397598059 /nfs/dbraw/zinc/59/80/59/397598059.db2.gz PCPAWUNGKCLTJV-BYNSBNAKSA-N 2 0 270.486 2.981 50 0 CFAARP C[C@@H](c1ccc(-c2ncccc2C[NH3+])cc1)[NH+](C)C ZINC000426647421 287130484 /nfs/dbraw/zinc/13/04/84/287130484.db2.gz XQWAZXXVVBVIBX-LBPRGKRZSA-N 2 0 255.365 2.830 50 0 CFAARP C[C@H](c1ccc(F)c(F)c1)[NH+]1CCC(C[NH3+])CC1 ZINC000044512045 175188147 /nfs/dbraw/zinc/18/81/47/175188147.db2.gz QRJSEADGOKBRGM-SNVBAGLBSA-N 2 0 254.324 2.697 50 0 CFAARP c1ccc(CC[N@@H+]2CC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000071422252 176160717 /nfs/dbraw/zinc/16/07/17/176160717.db2.gz PAUPVPHCSXHNKM-KRWDZBQOSA-N 2 0 258.409 2.551 50 0 CFAARP Cc1cc(N2CCC[N@H+](Cc3cccc(O)c3)CC2)cc[nH+]1 ZINC000072126444 176320567 /nfs/dbraw/zinc/32/05/67/176320567.db2.gz ILEOJDFREBEONH-UHFFFAOYSA-N 2 0 297.402 2.808 50 0 CFAARP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000191119401 276180603 /nfs/dbraw/zinc/18/06/03/276180603.db2.gz QFVUVBKRHQVZGU-OKZBNKHCSA-N 2 0 293.499 2.594 50 0 CFAARP C1CC[NH+](C2C3CC4CC2CC(C3)C4[NH+]2CCCC2)C1 ZINC000004727684 277759243 /nfs/dbraw/zinc/75/92/43/277759243.db2.gz DHMVYLKPSRWGRR-UHFFFAOYSA-N 2 0 274.452 2.981 50 0 CFAARP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1N(C)C ZINC000093942263 278354805 /nfs/dbraw/zinc/35/48/05/278354805.db2.gz GNLNYDMSBAMWIL-HUUCEWRRSA-N 2 0 287.451 2.888 50 0 CFAARP CC(C)CCOc1ccc(CC[NH2+]C2CC[NH2+]CC2)cc1 ZINC000952967850 614057192 /nfs/dbraw/zinc/05/71/92/614057192.db2.gz ONGHAYPCKRPWPX-UHFFFAOYSA-N 2 0 290.451 2.996 50 0 CFAARP CCc1ccc(C[NH2+]CCNc2cc[nH+]cc2C)s1 ZINC000952965615 615673999 /nfs/dbraw/zinc/67/39/99/615673999.db2.gz QPEUGLQSDAINCN-UHFFFAOYSA-N 2 0 275.421 2.638 50 0 CFAARP COc1c(C)cc(C)cc1C[NH2+]CCNc1cc[nH+]cc1C ZINC000952974534 617145211 /nfs/dbraw/zinc/14/52/11/617145211.db2.gz UHJUMVDBEJITED-UHFFFAOYSA-N 2 0 299.418 2.639 50 0 CFAARP Cc1ncn(CC[NH2+]Cc2cccc(OC(F)F)c2)c1C ZINC000952984518 650791803 /nfs/dbraw/zinc/79/18/03/650791803.db2.gz XJRNILPNOAEXBU-UHFFFAOYSA-N 2 0 295.333 2.891 50 0 CFAARP Cc1n[nH]c(C)c1C[NH2+]Cc1ccccc1C[NH+]1CCCC1 ZINC000097159201 185549937 /nfs/dbraw/zinc/54/99/37/185549937.db2.gz HMYUQBYONDCFPT-UHFFFAOYSA-N 2 0 298.434 2.912 50 0 CFAARP C[NH+]1CCC(OCCCNc2nccc3ccccc32)CC1 ZINC000584885221 348726572 /nfs/dbraw/zinc/72/65/72/348726572.db2.gz KZISKMWBEHXDBE-UHFFFAOYSA-N 2 0 299.418 2.570 50 0 CFAARP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC(C)(C)OC2(C)C)C[C@H]1C ZINC000685939688 540020480 /nfs/dbraw/zinc/02/04/80/540020480.db2.gz WFXWISMKVMFDQC-HZSPNIEDSA-N 2 0 268.445 2.795 50 0 CFAARP CC[NH+]1CCC(N[C@H](Cn2cccn2)c2ccccc2)CC1 ZINC000670454881 541000778 /nfs/dbraw/zinc/00/07/78/541000778.db2.gz RYTOABJOVNZBKS-GOSISDBHSA-N 2 0 298.434 2.698 50 0 CFAARP Cc1cc(N2CCCN(c3cc[nH+]c(C)c3)CC2)cc[nH+]1 ZINC000001425851 371673974 /nfs/dbraw/zinc/67/39/74/371673974.db2.gz YTIAAFZWMGINDZ-UHFFFAOYSA-N 2 0 282.391 2.810 50 0 CFAARP [NH3+]CCSc1sc(=S)sc1SCC[NH3+] ZINC000004185689 371840467 /nfs/dbraw/zinc/84/04/67/371840467.db2.gz BLYODLNRWWMGGM-UHFFFAOYSA-N 2 0 284.522 2.641 50 0 CFAARP CCC[NH+]1CCC([N@H+](C)CCC2CCOCC2)CC1 ZINC000019336382 372156536 /nfs/dbraw/zinc/15/65/36/372156536.db2.gz RNGDLNFMOFJHTA-UHFFFAOYSA-N 2 0 268.445 2.609 50 0 CFAARP [NH3+]CCC[NH2+]Cc1sc2ccccc2c1Cl ZINC000038009216 372763208 /nfs/dbraw/zinc/76/32/08/372763208.db2.gz PJHKZXPJQZBVFY-UHFFFAOYSA-N 2 0 254.786 2.993 50 0 CFAARP COc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000054976518 373532352 /nfs/dbraw/zinc/53/23/52/373532352.db2.gz GDGJJJMFINQFHI-DVOMOZLQSA-N 2 0 262.397 2.514 50 0 CFAARP Cn1cncc1C[N@@H+]1CCC[C@@H]1c1ccc(C[NH+](C)C)cc1 ZINC000067834073 374006623 /nfs/dbraw/zinc/00/66/23/374006623.db2.gz LYNROLIJXYJAQG-GOSISDBHSA-N 2 0 298.434 2.819 50 0 CFAARP COc1c(C)cc(C[NH2+]CC(C)(C)C[NH+](C)C)cc1C ZINC000067182567 373971626 /nfs/dbraw/zinc/97/16/26/373971626.db2.gz DZOLASJEXAFJGR-UHFFFAOYSA-N 2 0 278.440 2.989 50 0 CFAARP C[C@H](O)C[NH+]1CCC(C[NH2+]Cc2cccc(Cl)c2)CC1 ZINC000069436530 374063145 /nfs/dbraw/zinc/06/31/45/374063145.db2.gz IFRBFMJSRWMSHZ-ZDUSSCGKSA-N 2 0 296.842 2.522 50 0 CFAARP CCc1oc2ccccc2c1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000347102623 380939386 /nfs/dbraw/zinc/93/93/86/380939386.db2.gz MQMBROOVKUVJHF-LBPRGKRZSA-N 2 0 258.365 2.776 50 0 CFAARP CN(Cc1ccc(Cl)c(F)c1)C[C@H]1CC[N@H+](C)C1 ZINC000216479557 382783739 /nfs/dbraw/zinc/78/37/39/382783739.db2.gz ZNWMEBREPBJVJE-LBPRGKRZSA-N 2 0 270.779 2.863 50 0 CFAARP CCS[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](CC)C[C@@H]2C)C1 ZINC000241588374 382983387 /nfs/dbraw/zinc/98/33/87/382983387.db2.gz PCPAWUNGKCLTJV-XQLPTFJDSA-N 2 0 270.486 2.981 50 0 CFAARP C[C@H](CC[C@@H]1CCCO1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000245344205 382997852 /nfs/dbraw/zinc/99/78/52/382997852.db2.gz YBZJXKRRDPZJQF-WCVJEAGWSA-N 2 0 266.429 2.551 50 0 CFAARP Cc1cc(C)cc([C@H](O)C[NH2+]C2CC[NH+](C(C)C)CC2)c1 ZINC000282525069 385334712 /nfs/dbraw/zinc/33/47/12/385334712.db2.gz UXQQIOUQCOCCFI-GOSISDBHSA-N 2 0 290.451 2.799 50 0 CFAARP COc1ccccc1[C@H](C)[N@H+](C)CC1CC[NH2+]CC1 ZINC000067841442 175796098 /nfs/dbraw/zinc/79/60/98/175796098.db2.gz YOLXLZWGETWTKJ-ZDUSSCGKSA-N 2 0 262.397 2.688 50 0 CFAARP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccccc2)C1 ZINC000071820824 176270450 /nfs/dbraw/zinc/27/04/50/176270450.db2.gz FTQLWOLODNIXHL-HNNXBMFYSA-N 2 0 298.434 2.897 50 0 CFAARP c1ccc(CCC2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000077378747 177260741 /nfs/dbraw/zinc/26/07/41/177260741.db2.gz ZYPRVKCWFPGFBH-GOSISDBHSA-N 2 0 272.436 2.941 50 0 CFAARP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCC[C@H]3OCC[C@H]32)CC1 ZINC000230164069 277152182 /nfs/dbraw/zinc/15/21/82/277152182.db2.gz MOINEFTZFLKOLB-ARFHVFGLSA-N 2 0 280.456 2.797 50 0 CFAARP CS[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000095968627 278162337 /nfs/dbraw/zinc/16/23/37/278162337.db2.gz CNTSAFSVTBXPHM-CABCVRRESA-N 2 0 270.486 2.981 50 0 CFAARP CC[C@H]([NH2+]C1CC[NH+](CC(C)C)CC1)[C@H]1CCCO1 ZINC000096491741 288035116 /nfs/dbraw/zinc/03/51/16/288035116.db2.gz LTOHEWCDCPPCSW-JKSUJKDBSA-N 2 0 268.445 2.654 50 0 CFAARP C[N@@H+]1CC[C@@H](C[NH3+])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000068575519 290127393 /nfs/dbraw/zinc/12/73/93/290127393.db2.gz IXNHRSPFKLGGAC-JQWIXIFHSA-N 2 0 258.287 2.657 50 0 CFAARP C[C@H](NCC[NH+]1CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000096502720 533857630 /nfs/dbraw/zinc/85/76/30/533857630.db2.gz JZUXBIADDVIZDY-DLBZAZTESA-N 2 0 293.499 2.715 50 0 CFAARP CCC[NH+]1CCC(N2CCC[N@@H+](C3CCCC3)CC2)CC1 ZINC000020234809 651297333 /nfs/dbraw/zinc/29/73/33/651297333.db2.gz NXYXJFADYVQCAU-UHFFFAOYSA-N 2 0 293.499 2.811 50 0 CFAARP Cc1cccc([C@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)c1 ZINC000095967720 185047140 /nfs/dbraw/zinc/04/71/40/185047140.db2.gz WPRLLMAFGUTIEJ-KRWDZBQOSA-N 2 0 289.467 2.673 50 0 CFAARP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCc2ccccc2C1 ZINC000000757260 346205597 /nfs/dbraw/zinc/20/55/97/346205597.db2.gz ZDYVYGLUBXDKJC-IAGOWNOFSA-N 2 0 258.409 2.618 50 0 CFAARP C[N@@H+](Cc1cc(C[NH+]2CCCC2)cs1)C[C@@H]1CCOC1 ZINC000670448032 540998352 /nfs/dbraw/zinc/99/83/52/540998352.db2.gz GLKANSVRLGTRQC-AWEZNQCLSA-N 2 0 294.464 2.812 50 0 CFAARP CC(C)=CCC[C@H](C)[NH2+]CC1(CN2CC[NH+](C)CC2)CC1 ZINC000823789120 781939185 /nfs/dbraw/zinc/93/91/85/781939185.db2.gz IPJHTADSFWYHKO-KRWDZBQOSA-N 2 0 293.499 2.739 50 0 CFAARP C1=C(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)CCCC1 ZINC000450268128 242334139 /nfs/dbraw/zinc/33/41/39/242334139.db2.gz ZACVRNNOMDVKJN-UHFFFAOYSA-N 2 0 278.440 2.531 50 0 CFAARP C[C@H]([NH2+][C@@H]1CCSC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000096004791 299393821 /nfs/dbraw/zinc/39/38/21/299393821.db2.gz BWUXZJWQECJIGD-MELADBBJSA-N 2 0 268.470 2.735 50 0 CFAARP CC[NH+](CC)CCOc1ccc(C[C@H](C)[NH+](C)C)cc1 ZINC000000347816 371590690 /nfs/dbraw/zinc/59/06/90/371590690.db2.gz SIRAESQCZIFMCQ-HNNXBMFYSA-N 2 0 278.440 2.900 50 0 CFAARP Cc1ccc(-c2nc(C[NH+](C)C)cc(C[NH+](C)C)c2O)cc1 ZINC000000346814 371591271 /nfs/dbraw/zinc/59/12/71/371591271.db2.gz CWGUIDDLEINBHJ-UHFFFAOYSA-N 2 0 299.418 2.886 50 0 CFAARP c1ccc2c(c1)CCO[C@H]2C[NH2+]CCC[NH+]1CCCCC1 ZINC000001836149 371708492 /nfs/dbraw/zinc/70/84/92/371708492.db2.gz JMUZORWKBQAOBK-SFHVURJKSA-N 2 0 288.435 2.766 50 0 CFAARP COc1ccc2ccccc2c1C[NH2+]CC1CC[NH2+]CC1 ZINC000010434695 371908689 /nfs/dbraw/zinc/90/86/89/371908689.db2.gz PXFPPSQMDIZPCU-UHFFFAOYSA-N 2 0 284.403 2.938 50 0 CFAARP [NH3+]CCC[N@H+](CCc1ccccc1)Cc1ccco1 ZINC000032919848 372476381 /nfs/dbraw/zinc/47/63/81/372476381.db2.gz BDRHULMQNZEOFS-UHFFFAOYSA-N 2 0 258.365 2.673 50 0 CFAARP Cc1ccnc(NCC[NH2+]C2CC[NH+](CC(C)C)CC2)c1 ZINC000067772618 374001207 /nfs/dbraw/zinc/00/12/07/374001207.db2.gz WKNJIVSCNJCNEE-UHFFFAOYSA-N 2 0 290.455 2.512 50 0 CFAARP CCC[N@@H+]1CC[C@H](C[NH2+]C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000067842622 374007384 /nfs/dbraw/zinc/00/73/84/374007384.db2.gz JARLZMZHYLFSEB-MRXNPFEDSA-N 3 0 293.499 2.620 50 0 CFAARP COc1cc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)c(Cl)cc1O ZINC000067871958 374013389 /nfs/dbraw/zinc/01/33/89/374013389.db2.gz BVCVZZVERLAASP-NSHDSACASA-N 2 0 298.814 2.615 50 0 CFAARP CC(C)C[NH+]1CCC([N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)CC1 ZINC000067920193 374015391 /nfs/dbraw/zinc/01/53/91/374015391.db2.gz HQLQWMJMNWSXQH-OAHLLOKOSA-N 2 0 290.455 2.710 50 0 CFAARP C[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccccc1Cl ZINC000069511832 374071062 /nfs/dbraw/zinc/07/10/62/374071062.db2.gz DZBSDLDPBOACKM-ZDUSSCGKSA-N 2 0 296.842 2.695 50 0 CFAARP c1ccc(COC2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000072476642 374255721 /nfs/dbraw/zinc/25/57/21/374255721.db2.gz MWOBFGQYQOXYLG-KRWDZBQOSA-N 2 0 288.435 2.667 50 0 CFAARP c1cc(N2CCC[C@@H](C[NH+]3CCCCC3)C2)cc[nH+]1 ZINC000077425514 374561681 /nfs/dbraw/zinc/56/16/81/374561681.db2.gz ICQMZYLDDFMTKJ-HNNXBMFYSA-N 2 0 259.397 2.784 50 0 CFAARP c1cc(N2CCC[C@H](C[NH+]3CCCCC3)C2)cc[nH+]1 ZINC000077425510 374561731 /nfs/dbraw/zinc/56/17/31/374561731.db2.gz ICQMZYLDDFMTKJ-OAHLLOKOSA-N 2 0 259.397 2.784 50 0 CFAARP C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)C[C@@H]1C ZINC000097146632 375531372 /nfs/dbraw/zinc/53/13/72/375531372.db2.gz RGFQUUVMZGPWSO-CVYDXHPNSA-N 2 0 294.483 2.902 50 0 CFAARP COCCC[NH+]1CCC([NH2+][C@@H]2CC[C@@H](C)[C@@H](C)C2)CC1 ZINC000097146562 375531835 /nfs/dbraw/zinc/53/18/35/375531835.db2.gz VOSZRWVKSHDDNX-HLLBOEOZSA-N 2 0 282.472 2.902 50 0 CFAARP CC(C)Cc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)s1 ZINC000097515120 375568957 /nfs/dbraw/zinc/56/89/57/375568957.db2.gz BCJLCDFQNSSIPH-LBPRGKRZSA-N 2 0 252.427 2.727 50 0 CFAARP C[C@H]1CC[N@H+](CC[C@H]2CCCC[NH+]2C)CCS1 ZINC000390835076 382619572 /nfs/dbraw/zinc/61/95/72/382619572.db2.gz CCDQOCXZUHTZMX-UONOGXRCSA-N 2 0 256.459 2.688 50 0 CFAARP Cc1cccc([C@@H](C)[N@@H+]2CC[C@@H](CN3CCOCC3)C2)c1 ZINC000229838797 382853681 /nfs/dbraw/zinc/85/36/81/382853681.db2.gz MCELIRJKBGHNNR-SJORKVTESA-N 2 0 288.435 2.710 50 0 CFAARP C[NH+](C)[C@H]1CCC[N@H+](CCCc2ccco2)CC1 ZINC000252503964 383415327 /nfs/dbraw/zinc/41/53/27/383415327.db2.gz VHNNLUGNNNTFQU-AWEZNQCLSA-N 2 0 250.386 2.628 50 0 CFAARP COc1cc(CN2CCCC[C@H]2[C@@H](C)[NH3+])ccc1C ZINC000261950878 383584485 /nfs/dbraw/zinc/58/44/85/383584485.db2.gz FYCOWUFFGMNIPM-HIFRSBDPSA-N 2 0 262.397 2.705 50 0 CFAARP COCC[C@H]1CCC[N@H+](CC(C)(C)C[NH+]2CCCC2)C1 ZINC000824384149 781991278 /nfs/dbraw/zinc/99/12/78/781991278.db2.gz PXWHLNSYBMQWAK-MRXNPFEDSA-N 2 0 282.472 2.857 50 0 CFAARP CSCC[C@@H](C)[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000095968199 286670144 /nfs/dbraw/zinc/67/01/44/286670144.db2.gz SQQPNWNQFZLKLN-CYBMUJFWSA-N 2 0 258.475 2.838 50 0 CFAARP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(F)cc1N(C)C ZINC000095421892 287020577 /nfs/dbraw/zinc/02/05/77/287020577.db2.gz YVXXGPDXDVXPED-CYBMUJFWSA-N 2 0 293.430 2.884 50 0 CFAARP C[NH2+]CCC[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000008377105 170333644 /nfs/dbraw/zinc/33/36/44/170333644.db2.gz GBQORNGICCDZBP-UHFFFAOYSA-N 2 0 284.403 2.965 50 0 CFAARP COc1ccccc1C[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000044533348 175197341 /nfs/dbraw/zinc/19/73/41/175197341.db2.gz VFETUJSFKPCWAY-GJZGRUSLSA-N 2 0 276.424 2.558 50 0 CFAARP c1ccc(CCC[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000067742427 175788548 /nfs/dbraw/zinc/78/85/48/175788548.db2.gz LHPRONYAFGUAMR-UHFFFAOYSA-N 2 0 258.409 2.695 50 0 CFAARP C[C@H](O)C[NH+]1CCC(C[NH2+][C@@H](C)c2ccccc2F)CC1 ZINC000069514042 175836107 /nfs/dbraw/zinc/83/61/07/175836107.db2.gz KOIQCHZIKRLTRB-KBPBESRZSA-N 2 0 294.414 2.569 50 0 CFAARP CC[NH+]1CCC([NH2+]C/C=C/c2ccccc2OC)CC1 ZINC000071924519 176301783 /nfs/dbraw/zinc/30/17/83/176301783.db2.gz WDLJWZYNKVDFSV-SOFGYWHQSA-N 2 0 274.408 2.782 50 0 CFAARP COCCC[C@@H]1CCC[N@H+](Cc2cccc(CC[NH3+])c2)C1 ZINC000077518616 177277669 /nfs/dbraw/zinc/27/76/69/177277669.db2.gz BNURZHCLEHTNSN-KRWDZBQOSA-N 2 0 290.451 2.826 50 0 CFAARP CC1CC[NH+](C[C@@H]2CCC[N@H+](CC[C@H]3CCCO3)C2)CC1 ZINC000241515756 276198551 /nfs/dbraw/zinc/19/85/51/276198551.db2.gz OHTMGXMSENDZNW-QZTJIDSGSA-N 2 0 294.483 2.999 50 0 CFAARP C[NH+](C)CC(C)(C)C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000000280600 327636887 /nfs/dbraw/zinc/63/68/87/327636887.db2.gz XTEMEOMVCBTCNK-UHFFFAOYSA-N 2 0 264.457 2.989 50 0 CFAARP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)C1CC1 ZINC000177603252 323699439 /nfs/dbraw/zinc/69/94/39/323699439.db2.gz HDUZKTROGXQAMC-AWEZNQCLSA-N 2 0 288.435 2.531 50 0 CFAARP C[N@@H+](Cc1ccc(-n2cccn2)cc1)C[C@H]1CC[C@@H]([NH3+])CC1 ZINC000243893648 523196697 /nfs/dbraw/zinc/19/66/97/523196697.db2.gz ATAKZSJOUFPZLL-WOVMCDHWSA-N 2 0 298.434 2.822 50 0 CFAARP CO[C@H]1CC[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000188806723 524001327 /nfs/dbraw/zinc/00/13/27/524001327.db2.gz WVLNUFGPFOQVIA-WBVHZDCISA-N 2 0 280.456 2.941 50 0 CFAARP CC(C)CSC[C@@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000096477142 528226810 /nfs/dbraw/zinc/22/68/10/528226810.db2.gz FQJVVYHXNMGWJV-CYBMUJFWSA-N 2 0 258.475 2.696 50 0 CFAARP CC(C)[C@H]1[NH2+]CC12CC[NH+](Cc1ccccc1)CC2 ZINC000757115596 617715884 /nfs/dbraw/zinc/71/58/84/617715884.db2.gz HCHZOVDFSRMRQR-MRXNPFEDSA-N 2 0 258.409 2.897 50 0 CFAARP COCC[C@@H](C)[NH2+]CC1CC[NH+](C2CCCC2)CC1 ZINC000584900881 348732279 /nfs/dbraw/zinc/73/22/79/348732279.db2.gz LCOOUECSFYESGV-CQSZACIVSA-N 2 0 268.445 2.656 50 0 CFAARP FC(F)(F)c1ccccc1C[NH2+]CC1CC[NH2+]CC1 ZINC000040719360 282925128 /nfs/dbraw/zinc/92/51/28/282925128.db2.gz CGVOSNRBXVUKPI-UHFFFAOYSA-N 2 0 272.314 2.795 50 0 CFAARP C[N@@H+]1CC[C@H](C[NH3+])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000068575517 283113830 /nfs/dbraw/zinc/11/38/30/283113830.db2.gz IXNHRSPFKLGGAC-PWSUYJOCSA-N 2 0 258.287 2.657 50 0 CFAARP COc1ccccc1C[C@H](C)[NH2+]CC(C)(C)C[NH+](C)C ZINC000002499014 371729804 /nfs/dbraw/zinc/72/98/04/371729804.db2.gz AQSJXSUFNUALAG-AWEZNQCLSA-N 2 0 278.440 2.804 50 0 CFAARP [NH3+]CCCCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000020072491 372224681 /nfs/dbraw/zinc/22/46/81/372224681.db2.gz OVKXBNRZNKVLSI-UHFFFAOYSA-N 2 0 275.440 2.718 50 0 CFAARP C[C@@H]1CCC[N@H+](CCC[NH2+]Cc2cccs2)C1 ZINC000032919222 372476510 /nfs/dbraw/zinc/47/65/10/372476510.db2.gz BGTXITFOQAWWOI-CYBMUJFWSA-N 2 0 252.427 2.960 50 0 CFAARP Cn1c(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc2ccccc21 ZINC000067773526 374002068 /nfs/dbraw/zinc/00/20/68/374002068.db2.gz MHOCMDQDVSHETC-UHFFFAOYSA-N 2 0 283.419 2.754 50 0 CFAARP c1[nH]c2ccccc2c1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000067561108 373982991 /nfs/dbraw/zinc/98/29/91/373982991.db2.gz QUTSZDLTAVQJJD-QGZVFWFLSA-N 2 0 269.392 2.743 50 0 CFAARP C[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc(Cl)cc1 ZINC000069493296 374068441 /nfs/dbraw/zinc/06/84/41/374068441.db2.gz BSUADPGBESJXNA-CYBMUJFWSA-N 2 0 296.842 2.695 50 0 CFAARP [NH3+]CCc1cccc(-c2cccc3c2CC[NH2+]C3)c1 ZINC000071775573 374223357 /nfs/dbraw/zinc/22/33/57/374223357.db2.gz UHNHRYXHSYDCLG-UHFFFAOYSA-N 2 0 252.361 2.501 50 0 CFAARP C[NH+]1CCC(C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000077538792 374564544 /nfs/dbraw/zinc/56/45/44/374564544.db2.gz DBTOXEWQCUAIJN-UHFFFAOYSA-N 2 0 259.397 2.640 50 0 CFAARP C[N@H+](CCc1cccs1)CC1CC[NH+](C)CC1 ZINC000089375204 374898538 /nfs/dbraw/zinc/89/85/38/374898538.db2.gz CEYPLSHVWBGZLG-UHFFFAOYSA-N 2 0 252.427 2.564 50 0 CFAARP COc1cccc(CCC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000089549540 374923283 /nfs/dbraw/zinc/92/32/83/374923283.db2.gz DQHPUMSWRXQKSJ-DLBZAZTESA-N 2 0 288.435 2.844 50 0 CFAARP COCCC[NH+]1CCC([NH2+][C@@H]2CC[C@H](C)[C@@H](C)C2)CC1 ZINC000097146563 375531652 /nfs/dbraw/zinc/53/16/52/375531652.db2.gz VOSZRWVKSHDDNX-YQQAZPJKSA-N 2 0 282.472 2.902 50 0 CFAARP C[N@@H+]1CCC[C@H]1CC[NH2+][C@H]1CCc2ccccc2C1 ZINC000299872893 382051178 /nfs/dbraw/zinc/05/11/78/382051178.db2.gz ZDYVYGLUBXDKJC-IRXDYDNUSA-N 2 0 258.409 2.618 50 0 CFAARP CCn1cc(C[N@@H+]2CC[C@@H](n3c(C)c[nH+]c3C3CC3)C2)cn1 ZINC000575547950 382773819 /nfs/dbraw/zinc/77/38/19/382773819.db2.gz AZHZNBCJNWIXQO-MRXNPFEDSA-N 2 0 299.422 2.732 50 0 CFAARP CCS[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](CC)C[C@H]2C)C1 ZINC000241588372 382983276 /nfs/dbraw/zinc/98/32/76/382983276.db2.gz PCPAWUNGKCLTJV-BARDWOONSA-N 2 0 270.486 2.981 50 0 CFAARP COc1cccc([C@H]2C[C@@H](C)C[N@@H+]2CCn2ccnc2)c1 ZINC000241316691 382983834 /nfs/dbraw/zinc/98/38/34/382983834.db2.gz LUBNCXLQDUSJGG-RHSMWYFYSA-N 2 0 285.391 2.975 50 0 CFAARP CC[C@@H](c1nc(-c2ccc(C[NH+](C)C)cc2)no1)[NH+](C)C ZINC000351583080 163150262 /nfs/dbraw/zinc/15/02/62/163150262.db2.gz GXDXCOAPBFVICF-AWEZNQCLSA-N 2 0 288.395 2.811 50 0 CFAARP C[NH2+]CC1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000011889174 170453350 /nfs/dbraw/zinc/45/33/50/170453350.db2.gz NTHSLRJKAGCQIA-UHFFFAOYSA-N 2 0 252.789 2.771 50 0 CFAARP CC(=O)Nc1ccc(C[NH2+]CCC[NH+]2CCCCC2)cc1 ZINC000020128729 171016686 /nfs/dbraw/zinc/01/66/86/171016686.db2.gz UBNCMGRSDIINOT-UHFFFAOYSA-N 2 0 289.423 2.611 50 0 CFAARP CCCC[N@H+](CCCCO)C[C@H]1CCC[NH+](C(C)C)C1 ZINC000020864280 171276777 /nfs/dbraw/zinc/27/67/77/171276777.db2.gz QHAUDDBHXNALJV-QGZVFWFLSA-N 2 0 284.488 2.981 50 0 CFAARP CCn1cc(C[NH2+]CC2CC[NH2+]CC2)c2ccccc21 ZINC000020968442 171282858 /nfs/dbraw/zinc/28/28/58/171282858.db2.gz LLEVDQQDYYZRJA-UHFFFAOYSA-N 2 0 271.408 2.750 50 0 CFAARP CC[NH+]1CCC(C[NH2+]Cc2ccccc2OC)CC1 ZINC000044517323 175190546 /nfs/dbraw/zinc/19/05/46/175190546.db2.gz ZRAKFOTWNSAOCT-UHFFFAOYSA-N 2 0 262.397 2.517 50 0 CFAARP COc1ccccc1C[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000044533352 175197877 /nfs/dbraw/zinc/19/78/77/175197877.db2.gz VFETUJSFKPCWAY-LSDHHAIUSA-N 2 0 276.424 2.558 50 0 CFAARP C[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc(Cl)cc1 ZINC000069493294 175834911 /nfs/dbraw/zinc/83/49/11/175834911.db2.gz BSUADPGBESJXNA-ZDUSSCGKSA-N 2 0 296.842 2.695 50 0 CFAARP CC[NH+](CC)CC1CC[NH+](Cc2ccccn2)CC1 ZINC000069531188 175837714 /nfs/dbraw/zinc/83/77/14/175837714.db2.gz PRMSXSCAIIKYCZ-UHFFFAOYSA-N 2 0 261.413 2.635 50 0 CFAARP O=c1[nH]c2ccccc2cc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000071939941 176303174 /nfs/dbraw/zinc/30/31/74/176303174.db2.gz WRHVLAHSOUXIHZ-ZDUSSCGKSA-N 2 0 297.402 2.514 50 0 CFAARP CC[NH+]1CCC(C[NH2+][C@@H]2Cc3ccccc3[C@@H]2OC)CC1 ZINC000952993723 615099614 /nfs/dbraw/zinc/09/96/14/615099614.db2.gz JKJZCWKJNGQPPA-MSOLQXFVSA-N 2 0 288.435 2.620 50 0 CFAARP C[C@H](CC[C@H]1CC1(Cl)Cl)[NH2+]CCn1ccnc1 ZINC000888098221 619132162 /nfs/dbraw/zinc/13/21/62/619132162.db2.gz DIQDWIMYXSMTPD-MNOVXSKESA-N 2 0 276.211 2.835 50 0 CFAARP Cc1cccc2c(NCC[N@@H+]3CCCOCC3)cc[nH+]c12 ZINC000188490413 650333909 /nfs/dbraw/zinc/33/39/09/650333909.db2.gz BUYUPYTZGSKBPH-UHFFFAOYSA-N 2 0 285.391 2.677 50 0 CFAARP COc1ncccc1C[NH2+]CCCn1ccnc1C(C)C ZINC000952990910 650791590 /nfs/dbraw/zinc/79/15/90/650791590.db2.gz JVDKBXUZGSMIOE-UHFFFAOYSA-N 2 0 288.395 2.590 50 0 CFAARP C(CC[NH+]1CCCCCC1)C[NH2+][C@H]1CCSC1 ZINC000820385511 781867513 /nfs/dbraw/zinc/86/75/13/781867513.db2.gz LRVZPZHWBWOHPE-AWEZNQCLSA-N 2 0 256.459 2.738 50 0 CFAARP Cc1cc(C)n(C[C@@H](C)C[NH2+]C2CC[NH+](C(C)C)CC2)n1 ZINC000095967322 185046662 /nfs/dbraw/zinc/04/66/62/185046662.db2.gz SLWYTSDRRCVAAS-AWEZNQCLSA-N 2 0 292.471 2.598 50 0 CFAARP COCCC[NH+]1CCC([NH2+]C2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000097020449 185152755 /nfs/dbraw/zinc/15/27/55/185152755.db2.gz HLGONIWBYQGTHY-GJZGRUSLSA-N 2 0 282.472 2.902 50 0 CFAARP C[NH+](C)C1CCC([NH2+]C[C@@H](CCO)c2ccccc2)CC1 ZINC000170609061 348056790 /nfs/dbraw/zinc/05/67/90/348056790.db2.gz KDHOJAMGKWWOQU-WWDZGPRUSA-N 2 0 290.451 2.615 50 0 CFAARP C/C=C\C[C@H](CO)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000606441166 351270483 /nfs/dbraw/zinc/27/04/83/351270483.db2.gz JPPGUHAJHPWQKD-RXYHWBRQSA-N 2 0 280.456 2.700 50 0 CFAARP CCC[NH+]1CCC([NH2+][C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000094422840 283321560 /nfs/dbraw/zinc/32/15/60/283321560.db2.gz GMUOHQKORQYQND-AWEZNQCLSA-N 2 0 268.445 2.797 50 0 CFAARP C[NH+](C)CCNc1c2c([nH+]c3ccccc31)CCC2 ZINC000001780063 371706497 /nfs/dbraw/zinc/70/64/97/371706497.db2.gz PEDAJVYCBFXCPV-UHFFFAOYSA-N 2 0 255.365 2.697 50 0 CFAARP Fc1cccc(OC2CC[NH+](CCn3ccnc3)CC2)c1 ZINC000020781023 372238812 /nfs/dbraw/zinc/23/88/12/372238812.db2.gz IFXMWUPSDRFIIS-UHFFFAOYSA-N 2 0 289.354 2.566 50 0 CFAARP CCC[NH+]1CCC([N@H+](C)CCC[C@@H]2CCCO2)CC1 ZINC000032541230 372443362 /nfs/dbraw/zinc/44/33/62/372443362.db2.gz INOMOGODLUVEJE-MRXNPFEDSA-N 2 0 268.445 2.752 50 0 CFAARP CCOc1ccc(C[NH2+]C[C@@H]2CC[N@H+](CC)C2)cc1OC ZINC000037644250 372681035 /nfs/dbraw/zinc/68/10/35/372681035.db2.gz WTNLQOYWLBWMMW-HNNXBMFYSA-N 2 0 292.423 2.525 50 0 CFAARP C[NH2+]CCC[NH2+]Cc1cn(C(C)C)c2ccccc12 ZINC000057353475 373589970 /nfs/dbraw/zinc/58/99/70/373589970.db2.gz QSBKFPONBILUOU-UHFFFAOYSA-N 2 0 259.397 2.921 50 0 CFAARP CSCCC[NH2+]C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000055211292 373544126 /nfs/dbraw/zinc/54/41/26/373544126.db2.gz LHCNHIFWZMYIBE-UONOGXRCSA-N 2 0 256.459 2.594 50 0 CFAARP CCC[N@@H+]1CCC[C@H](C[NH2+]C2Cc3ccccc3C2)C1 ZINC000065375887 373861604 /nfs/dbraw/zinc/86/16/04/373861604.db2.gz DBWPCPONXHDKQH-OAHLLOKOSA-N 2 0 272.436 2.865 50 0 CFAARP C[NH+]1CCC2(CC[N@H+](CCOCc3ccccc3)C2)CC1 ZINC000065405860 373865898 /nfs/dbraw/zinc/86/58/98/373865898.db2.gz KBLCTUYEMOPZEN-UHFFFAOYSA-N 2 0 288.435 2.621 50 0 CFAARP Cc1cc(O)cc(C)c1C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000067724289 373996785 /nfs/dbraw/zinc/99/67/85/373996785.db2.gz WGACHEIXFSVPBZ-GOSISDBHSA-N 2 0 288.435 2.927 50 0 CFAARP CCC[N@@H+]1CC[C@@H](C[NH2+]C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000067842623 374005994 /nfs/dbraw/zinc/00/59/94/374005994.db2.gz JARLZMZHYLFSEB-INIZCTEOSA-N 3 0 293.499 2.620 50 0 CFAARP Cc1ccsc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000067675699 373991700 /nfs/dbraw/zinc/99/17/00/373991700.db2.gz GYWPQJZBTWUKND-UHFFFAOYSA-N 2 0 250.411 2.632 50 0 CFAARP C[C@H](c1ccccc1F)[N@H+](C)CC1CC[NH+](CCO)CC1 ZINC000069626925 374080532 /nfs/dbraw/zinc/08/05/32/374080532.db2.gz ZAUGAIWQMZSCGN-CQSZACIVSA-N 2 0 294.414 2.523 50 0 CFAARP C[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1cccc(Cl)c1 ZINC000069493291 374068693 /nfs/dbraw/zinc/06/86/93/374068693.db2.gz GSMHXHDGELQSGP-ZDUSSCGKSA-N 2 0 296.842 2.695 50 0 CFAARP Cc1n[nH]cc1C[NH2+]Cc1ccccc1C[NH+]1CCCC1 ZINC000069533354 374072897 /nfs/dbraw/zinc/07/28/97/374072897.db2.gz QIIVDHAOTSJHQG-UHFFFAOYSA-N 2 0 284.407 2.604 50 0 CFAARP CC(C)C[N@@H+]1CCCn2nc(C[NH2+]C3CCCC3)cc2C1 ZINC000082121794 374726182 /nfs/dbraw/zinc/72/61/82/374726182.db2.gz QYLYJBZOTQJCDB-UHFFFAOYSA-N 2 0 290.455 2.777 50 0 CFAARP CC(C)[C@H]([NH2+]CCOCC[NH+](C)C)c1ccccc1 ZINC000170676490 379137487 /nfs/dbraw/zinc/13/74/87/379137487.db2.gz YHBFXYKSVVTRAE-INIZCTEOSA-N 2 0 264.413 2.552 50 0 CFAARP COc1ccc(C[N@H+](C)CCn2ccnc2)cc1Cl ZINC000215369770 382778495 /nfs/dbraw/zinc/77/84/95/382778495.db2.gz UNMITVJVDMRHSU-UHFFFAOYSA-N 2 0 279.771 2.677 50 0 CFAARP FCCC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000230099221 382855581 /nfs/dbraw/zinc/85/55/81/382855581.db2.gz SOYFSAMBNCLAOL-BRWVUGGUSA-N 2 0 276.399 2.846 50 0 CFAARP COCCC[NH+]1CCC([NH2+][C@@H]2CC[C@H](C)[C@H](C)C2)CC1 ZINC000108501918 397598397 /nfs/dbraw/zinc/59/83/97/397598397.db2.gz VOSZRWVKSHDDNX-ZMSDIMECSA-N 2 0 282.472 2.902 50 0 CFAARP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCCCCO)C1 ZINC000071905405 176296178 /nfs/dbraw/zinc/29/61/78/176296178.db2.gz OFYHBCULHPANFM-IAGOWNOFSA-N 2 0 282.472 2.735 50 0 CFAARP CCCC[N@H+](C/C=C/c1ccccc1)C[C@]1(O)CC[NH2+]C1 ZINC000077458283 177271168 /nfs/dbraw/zinc/27/11/68/177271168.db2.gz KETPQHSSICBLNK-HKMNZKMDSA-N 2 0 288.435 2.526 50 0 CFAARP CC[NH+](CC)CCC[NH2+]C[C@H]1CCOC(C)(C)C1 ZINC000021149464 276097444 /nfs/dbraw/zinc/09/74/44/276097444.db2.gz LKMGFVZKGCFLPW-AWEZNQCLSA-N 2 0 256.434 2.513 50 0 CFAARP C[NH+](C)/C=C/C=C/C=C/C(=O)/C=C/C=C/C=C\[NH+](C)C ZINC000022339640 618145121 /nfs/dbraw/zinc/14/51/21/618145121.db2.gz YIJIBJODGCPIBA-UAIZVKBOSA-N 2 0 272.392 2.931 50 0 CFAARP C[N@@H+]1CC[C@H](C[NH+]2CCC(OCc3ccccc3)CC2)C1 ZINC000020535329 651299898 /nfs/dbraw/zinc/29/98/98/651299898.db2.gz JSQOPRTXVVOROJ-KRWDZBQOSA-N 2 0 288.435 2.619 50 0 CFAARP CCC[NH+]1CCC(C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000095987883 185057149 /nfs/dbraw/zinc/05/71/49/185057149.db2.gz OSAZFWMIPVEPLZ-ZACQAIPSSA-N 2 0 294.483 2.902 50 0 CFAARP CC[C@H]([NH2+]C1CC[NH+](CC(C)C)CC1)[C@@H]1CCCO1 ZINC000096491739 529584149 /nfs/dbraw/zinc/58/41/49/529584149.db2.gz LTOHEWCDCPPCSW-HOTGVXAUSA-N 2 0 268.445 2.654 50 0 CFAARP COC[C@@H]1C[N@H+](Cc2sccc2C)CC12CC[NH2+]CC2 ZINC000169789797 348052089 /nfs/dbraw/zinc/05/20/89/348052089.db2.gz YLVTXHXTCSIMNF-AWEZNQCLSA-N 2 0 294.464 2.505 50 0 CFAARP CC[NH+](CC)CCOc1ccc(C[C@@H](C)[NH+](C)C)cc1 ZINC000000347815 371590980 /nfs/dbraw/zinc/59/09/80/371590980.db2.gz SIRAESQCZIFMCQ-OAHLLOKOSA-N 2 0 278.440 2.900 50 0 CFAARP C[C@@H](Cc1ccc(OCCC[NH+](C)C)cc1)[NH+](C)C ZINC000002049875 371714824 /nfs/dbraw/zinc/71/48/24/371714824.db2.gz SPGRKRODFRAMCW-AWEZNQCLSA-N 2 0 264.413 2.510 50 0 CFAARP c1ccc(C[NH2+]CCC[NH2+]Cc2ccccc2)cc1 ZINC000001684571 371697185 /nfs/dbraw/zinc/69/71/85/371697185.db2.gz RXLUOFXICZSZIB-UHFFFAOYSA-N 2 0 254.377 2.956 50 0 CFAARP C[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000011889170 371934009 /nfs/dbraw/zinc/93/40/09/371934009.db2.gz GJEFZFYIWDTCJU-UHFFFAOYSA-N 2 0 252.789 2.771 50 0 CFAARP CSCCC[N@@H+]1CC[C@@]2(C1)CCC[NH+](CC1CC1)C2 ZINC000012580237 371976169 /nfs/dbraw/zinc/97/61/69/371976169.db2.gz IHTGGNDJTVLQRI-MRXNPFEDSA-N 2 0 282.497 2.937 50 0 CFAARP C([NH2+][C@H]1CCSC1)C1CC[NH+](C2CCCC2)CC1 ZINC000065403285 373865936 /nfs/dbraw/zinc/86/59/36/373865936.db2.gz KBAAMLHNGDVWFY-AWEZNQCLSA-N 2 0 268.470 2.736 50 0 CFAARP COc1ccccc1[C@@H](C)[N@H+](C)CC1CC[NH2+]CC1 ZINC000067841444 374006349 /nfs/dbraw/zinc/00/63/49/374006349.db2.gz YOLXLZWGETWTKJ-CYBMUJFWSA-N 2 0 262.397 2.688 50 0 CFAARP C=Cc1cccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000067674203 373989431 /nfs/dbraw/zinc/98/94/31/373989431.db2.gz FVCHJIWWQZZSMQ-QGZVFWFLSA-N 2 0 256.393 2.905 50 0 CFAARP CC[NH+](CC)CC1CC[NH+](Cc2cccnc2)CC1 ZINC000069531062 374072841 /nfs/dbraw/zinc/07/28/41/374072841.db2.gz AUJRCXGOLVBCME-UHFFFAOYSA-N 2 0 261.413 2.635 50 0 CFAARP c1ccc(CC[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000071776406 374224159 /nfs/dbraw/zinc/22/41/59/374224159.db2.gz PWIGMDODIDRUBJ-KRWDZBQOSA-N 2 0 258.409 2.551 50 0 CFAARP C[NH+](C)Cc1ccc(C[NH2+][C@@H]2CCCSC2)cc1F ZINC000097084664 375511708 /nfs/dbraw/zinc/51/17/08/375511708.db2.gz GWPNRFVHWXOCKK-CQSZACIVSA-N 2 0 282.428 2.873 50 0 CFAARP CC(C)[NH+]1CCC([NH2+]CCSC(C)(C)C)CC1 ZINC000097238374 375545038 /nfs/dbraw/zinc/54/50/38/375545038.db2.gz AMGXCQKTCUPUMJ-UHFFFAOYSA-N 2 0 258.475 2.981 50 0 CFAARP CC(=O)c1cc(CN(C)CCn2ccnc2C)cs1 ZINC000215398104 382778398 /nfs/dbraw/zinc/77/83/98/382778398.db2.gz SAJGOROSNQGFEW-UHFFFAOYSA-N 2 0 277.393 2.588 50 0 CFAARP CC1=CCC[C@H](C)[C@H]1C[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000225516169 382817593 /nfs/dbraw/zinc/81/75/93/382817593.db2.gz QFVUVBKRHQVZGU-KSZLIROESA-N 2 0 293.499 2.594 50 0 CFAARP COC(C)(C)C[C@@H](C)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000824250075 781989344 /nfs/dbraw/zinc/98/93/44/781989344.db2.gz GDAQNJZZSPDFPR-CQSZACIVSA-N 2 0 282.472 2.902 50 0 CFAARP C[N@H+](C1CC[NH+](C2CCOCC2)CC1)[C@H]1C=CCCC1 ZINC000066497760 543107180 /nfs/dbraw/zinc/10/71/80/543107180.db2.gz WLNODZHKLGETPP-HNNXBMFYSA-N 2 0 278.440 2.670 50 0 CFAARP FCCC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000108464647 397598134 /nfs/dbraw/zinc/59/81/34/397598134.db2.gz SOYFSAMBNCLAOL-YESZJQIVSA-N 2 0 276.399 2.846 50 0 CFAARP C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)C[C@@H]1C ZINC000108476986 397598432 /nfs/dbraw/zinc/59/84/32/397598432.db2.gz RGFQUUVMZGPWSO-HPFXQQBRSA-N 2 0 294.483 2.902 50 0 CFAARP C[NH2+]CCC[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000008377191 170333847 /nfs/dbraw/zinc/33/38/47/170333847.db2.gz XHOOWKNWPBZMAS-UHFFFAOYSA-N 2 0 284.403 2.965 50 0 CFAARP COc1cc(C[NH2+]CC2CC[NH2+]CC2)ccc1OC(C)C ZINC000040719622 174385139 /nfs/dbraw/zinc/38/51/39/174385139.db2.gz QHVXOTVJDXMKCD-UHFFFAOYSA-N 2 0 292.423 2.572 50 0 CFAARP CC(C)Oc1ccccc1C[NH2+]CC1CC[NH2+]CC1 ZINC000040719708 174385311 /nfs/dbraw/zinc/38/53/11/174385311.db2.gz HAVNOUNYQBLXBX-UHFFFAOYSA-N 2 0 262.397 2.563 50 0 CFAARP CC(C)=CCN1CCC([NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000095968974 277324502 /nfs/dbraw/zinc/32/45/02/277324502.db2.gz OHKPOXLHGKWAGQ-MSOLQXFVSA-N 2 0 293.499 2.879 50 0 CFAARP C[C@H]([NH2+][C@H]1CCSC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000221772864 278283960 /nfs/dbraw/zinc/28/39/60/278283960.db2.gz BWUXZJWQECJIGD-MJBXVCDLSA-N 2 0 268.470 2.735 50 0 CFAARP CCSC[C@H](C)[NH2+]CC1(C[NH+]2CCCC2)CC1 ZINC000534675292 328356039 /nfs/dbraw/zinc/35/60/39/328356039.db2.gz IHHZKHLLDJPGKY-ZDUSSCGKSA-N 2 0 256.459 2.594 50 0 CFAARP Cc1cc(C[C@H](C)[NH2+]C2CCC3(CC[NH2+]CC3)CC2)[nH]n1 ZINC000067982565 524836393 /nfs/dbraw/zinc/83/63/93/524836393.db2.gz WGCMKLKUMVAVMA-ZDUSSCGKSA-N 2 0 290.455 2.551 50 0 CFAARP CC[N@@H+]1CCC[C@H](N2CCC[C@@H](C[NH+]3CCCCC3)C2)C1 ZINC000032519410 779019522 /nfs/dbraw/zinc/01/95/22/779019522.db2.gz GNIWFILOVKJHGZ-ROUUACIJSA-N 2 0 293.499 2.669 50 0 CFAARP Cc1ccccc1OC[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000096484326 230381155 /nfs/dbraw/zinc/38/11/55/230381155.db2.gz VUWRZGJYAXLRIP-YESZJQIVSA-N 2 0 288.435 2.979 50 0 CFAARP C[N@H+](C/C=C/c1ccc(F)cc1)C[C@H]1CCC[NH2+]C1 ZINC000097743427 529820158 /nfs/dbraw/zinc/82/01/58/529820158.db2.gz YEIOVYMYNLDQRR-UJAVWCLSSA-N 2 0 262.372 2.770 50 0 CFAARP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC(C)(C)OC2(C)C)C[C@@H]1C ZINC000095422527 540724346 /nfs/dbraw/zinc/72/43/46/540724346.db2.gz WFXWISMKVMFDQC-MELADBBJSA-N 2 0 268.445 2.795 50 0 CFAARP [NH3+]C[C@H]1CCC2(CC[NH+](CCCc3ccccc3)CC2)O1 ZINC000299800181 200880273 /nfs/dbraw/zinc/88/02/73/200880273.db2.gz VSWNOLIDBXVREM-QGZVFWFLSA-N 2 0 288.435 2.592 50 0 CFAARP COc1cc(F)ccc1C[N@@H+]1CCC[C@@H](CC[NH+](C)C)C1 ZINC000670456137 541001432 /nfs/dbraw/zinc/00/14/32/541001432.db2.gz SWXDTLGDGUJGCA-AWEZNQCLSA-N 2 0 294.414 2.998 50 0 CFAARP Cc1cc[n+](CCC[n+]2ccc(C)c(C)c2)cc1C ZINC000000396354 371605060 /nfs/dbraw/zinc/60/50/60/371605060.db2.gz KHMHAVUEZNXMIK-UHFFFAOYSA-N 2 0 256.393 2.586 50 0 CFAARP [NH3+]CCC[NH2+]C1CCN(c2ccc(-c3ccco3)cc2)CC1 ZINC000063847279 373817141 /nfs/dbraw/zinc/81/71/41/373817141.db2.gz JXCGKIINBGVXTP-UHFFFAOYSA-N 2 0 299.418 2.854 50 0 CFAARP c1ccc(CC[NH2+]C2CCC3(CC[NH2+]CC3)CC2)nc1 ZINC000067834089 374006260 /nfs/dbraw/zinc/00/62/60/374006260.db2.gz HOAFTIBRNKTFRK-UHFFFAOYSA-N 2 0 273.424 2.526 50 0 CFAARP CCc1csc(CNC2CC[NH+](CC(C)C)CC2)n1 ZINC000067965757 374017438 /nfs/dbraw/zinc/01/74/38/374017438.db2.gz ZXDRQUIJPAEFNK-UHFFFAOYSA-N 2 0 281.469 2.916 50 0 CFAARP C[N@H+](Cc1ccsc1)Cc1ccc(CC[NH3+])cc1 ZINC000070542593 374190777 /nfs/dbraw/zinc/19/07/77/374190777.db2.gz GYICTPLKQAMYFU-UHFFFAOYSA-N 2 0 260.406 2.881 50 0 CFAARP CC(C)C[NH+]1CCC([NH2+][C@@H](C)c2cccc(CO)c2)CC1 ZINC000095988798 375467127 /nfs/dbraw/zinc/46/71/27/375467127.db2.gz JXSHDVAQRAFKTB-HNNXBMFYSA-N 2 0 290.451 2.950 50 0 CFAARP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)C1CC1 ZINC000177603266 380359893 /nfs/dbraw/zinc/35/98/93/380359893.db2.gz HDUZKTROGXQAMC-CQSZACIVSA-N 2 0 288.435 2.531 50 0 CFAARP C[C@H](C[NH3+])Oc1cccc(C[N@H+](C)Cc2ccoc2)c1 ZINC000299781795 382045387 /nfs/dbraw/zinc/04/53/87/382045387.db2.gz WLYWWVVWXSTJRO-CYBMUJFWSA-N 2 0 274.364 2.638 50 0 CFAARP [NH3+]C[C@@H]1CCC2(CC[NH+](CCCc3ccccc3)CC2)O1 ZINC000299800178 382050367 /nfs/dbraw/zinc/05/03/67/382050367.db2.gz VSWNOLIDBXVREM-KRWDZBQOSA-N 2 0 288.435 2.592 50 0 CFAARP Cc1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1Cl ZINC000235870152 382889527 /nfs/dbraw/zinc/88/95/27/382889527.db2.gz XJKSUTBYHZUHLH-UHFFFAOYSA-N 2 0 252.789 2.819 50 0 CFAARP COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2CCn2ccnc2)c1 ZINC000241316693 382983676 /nfs/dbraw/zinc/98/36/76/382983676.db2.gz LUBNCXLQDUSJGG-YOEHRIQHSA-N 2 0 285.391 2.975 50 0 CFAARP Clc1ccc(CN2[C@@H]3CC[C@H]2[C@H]2C[NH2+]C[C@H]23)s1 ZINC000426442667 383400111 /nfs/dbraw/zinc/40/01/11/383400111.db2.gz OTQGULXMQALUPU-BKUVIOGVSA-N 2 0 268.813 2.584 50 0 CFAARP C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)C[C@H]1C ZINC000253370466 383453199 /nfs/dbraw/zinc/45/31/99/383453199.db2.gz RGFQUUVMZGPWSO-CBZIJGRNSA-N 2 0 294.483 2.902 50 0 CFAARP Fc1ccc(OC[C@@H]2CCC[N@@H+]2C[C@@H]2CCC[NH2+]C2)cc1 ZINC000262020315 383595622 /nfs/dbraw/zinc/59/56/22/383595622.db2.gz WCFVEGRVBDGFKY-ZBFHGGJFSA-N 2 0 292.398 2.669 50 0 CFAARP C[N@H+](CCC(=O)Nc1ccc(C[NH3+])cc1)Cc1ccccc1 ZINC000022224384 171380130 /nfs/dbraw/zinc/38/01/30/171380130.db2.gz IYFLUPZUCRRCIR-UHFFFAOYSA-N 2 0 297.402 2.606 50 0 CFAARP CC(C)Oc1cccc(C[NH2+]CC2CC[NH2+]CC2)c1 ZINC000040719706 174385469 /nfs/dbraw/zinc/38/54/69/174385469.db2.gz VHXMUVYATPDMNN-UHFFFAOYSA-N 2 0 262.397 2.563 50 0 CFAARP C[C@@H](c1ccc(F)c(F)c1)[NH+]1CCC(C[NH3+])CC1 ZINC000044512043 175188517 /nfs/dbraw/zinc/18/85/17/175188517.db2.gz QRJSEADGOKBRGM-JTQLQIEISA-N 2 0 254.324 2.697 50 0 CFAARP CSc1cccc(C[N@H+](C)CC2CC[NH2+]CC2)c1 ZINC000067885573 175799992 /nfs/dbraw/zinc/79/99/92/175799992.db2.gz WCNZTQXKPBHWHJ-UHFFFAOYSA-N 2 0 264.438 2.840 50 0 CFAARP CC(C)=CCN1CCC([NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000095968977 277324514 /nfs/dbraw/zinc/32/45/14/277324514.db2.gz OHKPOXLHGKWAGQ-ZWKOTPCHSA-N 2 0 293.499 2.879 50 0 CFAARP C/C1=[NH+]\CCC[NH2+]C(C)(C)C/C(C)=[NH+]/CCNC(C)(C)C1 ZINC000068604553 277733338 /nfs/dbraw/zinc/73/33/38/277733338.db2.gz ZVOBKJJHLCZQSV-JSAVKQRWSA-N 3 0 294.487 2.829 50 0 CFAARP Cc1ccccc1C[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000089689314 281345005 /nfs/dbraw/zinc/34/50/05/281345005.db2.gz QGBWPOXQNBJZAK-HZPDHXFCSA-N 2 0 272.436 3.000 50 0 CFAARP COc1ccccc1C[C@@H](C)[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000004021839 618886617 /nfs/dbraw/zinc/88/66/17/618886617.db2.gz XTNDQECBOQUYKJ-ZBFHGGJFSA-N 2 0 276.424 2.700 50 0 CFAARP COCC[N@@H+]1CCC[C@@]2(CC[NH+](CC3CCCC3)C2)C1 ZINC000015067944 651184607 /nfs/dbraw/zinc/18/46/07/651184607.db2.gz ZWGOEISOIYLHRQ-QGZVFWFLSA-N 2 0 280.456 2.611 50 0 CFAARP C[N@@H+]1CC[C@@H](C[NH+]2CCC(OCc3ccccc3)CC2)C1 ZINC000020535327 651299728 /nfs/dbraw/zinc/29/97/28/651299728.db2.gz JSQOPRTXVVOROJ-QGZVFWFLSA-N 2 0 288.435 2.619 50 0 CFAARP CC1(C[N@@H+]2CCCC3(CC[NH2+]CC3)CC2)CCOCC1 ZINC000426550451 776947738 /nfs/dbraw/zinc/94/77/38/776947738.db2.gz NIVMNXFIXYDYCZ-UHFFFAOYSA-N 2 0 280.456 2.659 50 0 CFAARP CC[C@@H](O)C1CC[NH+](CC(C)(C)C[NH+]2CCCC2)CC1 ZINC000822594969 781906990 /nfs/dbraw/zinc/90/69/90/781906990.db2.gz PEUPQCICSZXYJD-MRXNPFEDSA-N 2 0 282.472 2.591 50 0 CFAARP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccccc2F)[C@H](C)C1 ZINC000095967134 185046175 /nfs/dbraw/zinc/04/61/75/185046175.db2.gz UWGIMAMCYKMEOJ-CJNGLKHVSA-N 2 0 264.388 2.688 50 0 CFAARP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000085635991 179109093 /nfs/dbraw/zinc/10/90/93/179109093.db2.gz BVTLXIGKCFSFJA-KFWWJZLASA-N 2 0 280.456 2.652 50 0 CFAARP C[NH+]1CCC(C[NH2+][C@H]2CCSC2)(c2ccccc2)CC1 ZINC000584885705 348727589 /nfs/dbraw/zinc/72/75/89/348727589.db2.gz ZJTHGXGCWUGLAF-INIZCTEOSA-N 2 0 290.476 2.745 50 0 CFAARP CC[NH+]1CCC(N[C@@H](Cn2cccn2)c2ccccc2)CC1 ZINC000670454882 541000811 /nfs/dbraw/zinc/00/08/11/541000811.db2.gz RYTOABJOVNZBKS-SFHVURJKSA-N 2 0 298.434 2.698 50 0 CFAARP COc1ccccc1C[C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C ZINC000002499015 371729955 /nfs/dbraw/zinc/72/99/55/371729955.db2.gz AQSJXSUFNUALAG-CQSZACIVSA-N 2 0 278.440 2.804 50 0 CFAARP O=C1[C@@H](C[NH+]2CCCCC2)CCC[C@@H]1C[NH+]1CCCCC1 ZINC000004134602 371836629 /nfs/dbraw/zinc/83/66/29/371836629.db2.gz UZXQQNLALYSWNF-IAGOWNOFSA-N 2 0 292.467 2.944 50 0 CFAARP C[C@@H]1C[C@@](CC[NH3+])(Cc2ccccc2)[C@H](C)C[N@@H+]1C ZINC000004154856 371838222 /nfs/dbraw/zinc/83/82/22/371838222.db2.gz RYJLDVIZDHEQLN-INMHGKMJSA-N 2 0 260.425 2.924 50 0 CFAARP C[C@H]1CCC[N@H+](CCC[NH2+]Cc2cccs2)C1 ZINC000032919224 372476681 /nfs/dbraw/zinc/47/66/81/372476681.db2.gz BGTXITFOQAWWOI-ZDUSSCGKSA-N 2 0 252.427 2.960 50 0 CFAARP CC[NH+]1CCC([NH2+]Cc2c[nH]nc2-c2cccs2)CC1 ZINC000037979521 372746581 /nfs/dbraw/zinc/74/65/81/372746581.db2.gz RPXOQRUXCRHISE-UHFFFAOYSA-N 2 0 290.436 2.712 50 0 CFAARP CC[NH+](CC)CC1CC[NH+](CCc2ccncc2)CC1 ZINC000065608934 373895254 /nfs/dbraw/zinc/89/52/54/373895254.db2.gz IXWDCORASYATRZ-UHFFFAOYSA-N 2 0 275.440 2.678 50 0 CFAARP Cn1cncc1C[N@@H+]1CCC[C@H]1c1ccc(C[NH+](C)C)cc1 ZINC000067834074 374006087 /nfs/dbraw/zinc/00/60/87/374006087.db2.gz LYNROLIJXYJAQG-SFHVURJKSA-N 2 0 298.434 2.819 50 0 CFAARP COc1cc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)c(Cl)cc1O ZINC000067871957 374013497 /nfs/dbraw/zinc/01/34/97/374013497.db2.gz BVCVZZVERLAASP-LLVKDONJSA-N 2 0 298.814 2.615 50 0 CFAARP C[NH+](C)Cc1ccccc1Oc1ccc2c(c1)C[C@@H](C[NH3+])O2 ZINC000067920911 374015520 /nfs/dbraw/zinc/01/55/20/374015520.db2.gz GFHPSQTVYQKNRQ-INIZCTEOSA-N 2 0 298.386 2.803 50 0 CFAARP C[NH2+]CC1CC[NH+](Cc2cccc(C3CC3)c2)CC1 ZINC000094522079 375365282 /nfs/dbraw/zinc/36/52/82/375365282.db2.gz OHOPXCMPDJOBPD-UHFFFAOYSA-N 2 0 258.409 2.995 50 0 CFAARP C[N@@H+](Cc1ccc2cc(O)ccc2c1)C[C@@H]1CC[NH+](C)C1 ZINC000097259216 375546991 /nfs/dbraw/zinc/54/69/91/375546991.db2.gz XJGNMFGKNHOWGY-OAHLLOKOSA-N 2 0 284.403 2.929 50 0 CFAARP c1cc(C[NH+]2CCCC2)ccc1C[NH2+][C@@H]1CCCOC1 ZINC000162929845 378942534 /nfs/dbraw/zinc/94/25/34/378942534.db2.gz MZJJWRWCILOSOA-QGZVFWFLSA-N 2 0 274.408 2.551 50 0 CFAARP c1cc(C[NH+]2CCCC2)ccc1CC1CC[NH2+]CC1 ZINC000169676876 379109403 /nfs/dbraw/zinc/10/94/03/379109403.db2.gz HYWKOEPIMZIRFO-UHFFFAOYSA-N 2 0 258.409 2.825 50 0 CFAARP [NH3+][C@H]1CCCN(C2CCN(c3ccccc3Cl)CC2)C1 ZINC000426494338 383403070 /nfs/dbraw/zinc/40/30/70/383403070.db2.gz PCQMRZODOWZNMP-ZDUSSCGKSA-N 2 0 293.842 2.732 50 0 CFAARP Cc1cccc(N2CCC([N@H+]3C[C@H]4CC[C@@H](C3)[C@@H]4[NH3+])CC2)c1 ZINC000426545081 383404956 /nfs/dbraw/zinc/40/49/56/383404956.db2.gz NQZJKSZPVFFRNZ-HGKCTWBKSA-N 2 0 299.462 2.633 50 0 CFAARP Fc1ccc(OC[C@H]2CCC[N@@H+]2C[C@H]2CCC[NH2+]C2)cc1 ZINC000262020311 383595637 /nfs/dbraw/zinc/59/56/37/383595637.db2.gz WCFVEGRVBDGFKY-GOEBONIOSA-N 2 0 292.398 2.669 50 0 CFAARP Cc1cc[n+](CCC[n+]2ccc(C)cc2C)c(C)c1 ZINC000000396353 393450307 /nfs/dbraw/zinc/45/03/07/393450307.db2.gz GTPISKKBTHLOST-UHFFFAOYSA-N 2 0 256.393 2.586 50 0 CFAARP CC[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000095967807 286919745 /nfs/dbraw/zinc/91/97/45/286919745.db2.gz VANCZKSBRLNGBW-WMLDXEAASA-N 2 0 293.430 2.502 50 0 CFAARP CCCOc1ccccc1C[NH2+]CC1CC[NH2+]CC1 ZINC000020967282 171282341 /nfs/dbraw/zinc/28/23/41/171282341.db2.gz MCVSUSQGPGDLJW-UHFFFAOYSA-N 2 0 262.397 2.565 50 0 CFAARP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccc3cccnc32)C1 ZINC000040601294 174351395 /nfs/dbraw/zinc/35/13/95/174351395.db2.gz PORYXGKEHZSMDO-AWEZNQCLSA-N 2 0 269.392 2.666 50 0 CFAARP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2c[nH]nc2-c2ccccc2)C1 ZINC000071820823 176270777 /nfs/dbraw/zinc/27/07/77/176270777.db2.gz FTQLWOLODNIXHL-OAHLLOKOSA-N 2 0 298.434 2.897 50 0 CFAARP c1ccc2c(c1)[nH+]c1c(c2N2CC[NH2+]CC2)CCCC1 ZINC000253495842 275071514 /nfs/dbraw/zinc/07/15/14/275071514.db2.gz SIVRCFKUZDWTJH-UHFFFAOYSA-N 2 0 267.376 2.523 50 0 CFAARP C[C@@H]1C[C@](CC[NH3+])(Cc2ccccc2)[C@H](C)C[N@@H+]1C ZINC000004154858 279009916 /nfs/dbraw/zinc/00/99/16/279009916.db2.gz RYJLDVIZDHEQLN-BFYDXBDKSA-N 2 0 260.425 2.924 50 0 CFAARP C[C@H](c1ccc(-c2ncccc2C[NH3+])cc1)[NH+](C)C ZINC000426647420 290216836 /nfs/dbraw/zinc/21/68/36/290216836.db2.gz XQWAZXXVVBVIBX-GFCCVEGCSA-N 2 0 255.365 2.830 50 0 CFAARP [NH3+]CCCCC[NH2+]CC12CC3CC(CC(C3)C1)C2 ZINC000034011228 303374988 /nfs/dbraw/zinc/37/49/88/303374988.db2.gz UWWMQHVWAYFCDT-UHFFFAOYSA-N 2 0 250.430 2.921 50 0 in-vitro CFAARP CCN(C)c1ccccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000095974242 185049994 /nfs/dbraw/zinc/04/99/94/185049994.db2.gz AZAGKHNKHOSHAZ-DLBZAZTESA-N 2 0 287.451 2.859 50 0 CFAARP COc1cc(CC[NH2+]C2CC[NH+](C(C)C)CC2)ccc1F ZINC000170073616 348053424 /nfs/dbraw/zinc/05/34/24/348053424.db2.gz QKYMKMPQJBTZKF-UHFFFAOYSA-N 2 0 294.414 2.839 50 0 CFAARP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CC(C)(C)OC2(C)C)C[C@H]1C ZINC000685939690 540020676 /nfs/dbraw/zinc/02/06/76/540020676.db2.gz WFXWISMKVMFDQC-RDBSUJKOSA-N 2 0 268.445 2.795 50 0 CFAARP CCn1ccc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000091009816 540384451 /nfs/dbraw/zinc/38/44/51/540384451.db2.gz UQWPTSKVFYULMU-UHFFFAOYSA-N 2 0 263.429 2.907 50 0 CFAARP c1ccc(COC(C[NH+]2CCCC2)C[NH+]2CCCC2)cc1 ZINC000000218672 371561213 /nfs/dbraw/zinc/56/12/13/371561213.db2.gz IBMPUALBEUMVNC-UHFFFAOYSA-N 2 0 288.435 2.763 50 0 CFAARP CC[N@@H+]1CC[C@H](C[NH2+]Cc2c[nH]nc2-c2ccccc2)C1 ZINC000041651850 372858196 /nfs/dbraw/zinc/85/81/96/372858196.db2.gz MMHVGNHORNINFX-CQSZACIVSA-N 2 0 284.407 2.508 50 0 CFAARP C[C@H](c1cccc(F)c1)[N@H+](C)CC1CC[NH+](CCO)CC1 ZINC000069630105 374080387 /nfs/dbraw/zinc/08/03/87/374080387.db2.gz YNQCJMOTJZIATE-CQSZACIVSA-N 2 0 294.414 2.523 50 0 CFAARP C[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1cccc(Cl)c1 ZINC000069493292 374068078 /nfs/dbraw/zinc/06/80/78/374068078.db2.gz GSMHXHDGELQSGP-CYBMUJFWSA-N 2 0 296.842 2.695 50 0 CFAARP CCn1cc(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)cn1 ZINC000080347945 374651216 /nfs/dbraw/zinc/65/12/16/374651216.db2.gz RQQOXGILVPYSPS-UHFFFAOYSA-N 2 0 290.455 2.790 50 0 CFAARP CCC[NH+]1CCC([NH2+][C@H]2C[C@@H](OCC)C23CCC3)CC1 ZINC000087709190 374828216 /nfs/dbraw/zinc/82/82/16/374828216.db2.gz GPACHYKNZQBJDA-JKSUJKDBSA-N 2 0 280.456 2.798 50 0 CFAARP CCO[C@H]1C[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C12CCC2 ZINC000095968521 375465362 /nfs/dbraw/zinc/46/53/62/375465362.db2.gz DOMCDIBRVQOPJM-IRXDYDNUSA-N 2 0 292.467 2.798 50 0 CFAARP C[C@@H](C[NH3+])Oc1cccc(C[N@H+](C)Cc2ccoc2)c1 ZINC000299781810 382045514 /nfs/dbraw/zinc/04/55/14/382045514.db2.gz WLYWWVVWXSTJRO-ZDUSSCGKSA-N 2 0 274.364 2.638 50 0 CFAARP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1cc3ccccc3o1)C2 ZINC000426698276 383409985 /nfs/dbraw/zinc/40/99/85/383409985.db2.gz OBFDBHHSXUHXIG-YWVIFJGQSA-N 2 0 256.349 2.602 50 0 CFAARP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)CC1 ZINC000251109602 383385047 /nfs/dbraw/zinc/38/50/47/383385047.db2.gz BVTLXIGKCFSFJA-RRFJBIMHSA-N 2 0 280.456 2.652 50 0 CFAARP CCN(C)c1ccccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252510634 393936950 /nfs/dbraw/zinc/93/69/50/393936950.db2.gz AZAGKHNKHOSHAZ-IRXDYDNUSA-N 2 0 287.451 2.859 50 0 CFAARP CN(C)c1ccccc1C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000355769763 155080572 /nfs/dbraw/zinc/08/05/72/155080572.db2.gz SBYQKAOYBXRKFM-UHFFFAOYSA-N 2 0 275.440 2.574 50 0 CFAARP CC[NH+]1CCC([NH2+]CCc2c[nH]c3ccccc23)CC1 ZINC000020122475 171002835 /nfs/dbraw/zinc/00/28/35/171002835.db2.gz FWBYJMCGXLLPIC-UHFFFAOYSA-N 2 0 271.408 2.784 50 0 CFAARP CSc1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1 ZINC000044512200 175188493 /nfs/dbraw/zinc/18/84/93/175188493.db2.gz OYEWODYNSDXZOY-UHFFFAOYSA-N 2 0 250.411 2.579 50 0 CFAARP Fc1ccc(CC2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000072154516 176328206 /nfs/dbraw/zinc/32/82/06/176328206.db2.gz OXQQHVNXRBRISI-INIZCTEOSA-N 2 0 276.399 2.690 50 0 CFAARP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000225516209 276180710 /nfs/dbraw/zinc/18/07/10/276180710.db2.gz QFVUVBKRHQVZGU-RCCFBDPRSA-N 2 0 293.499 2.594 50 0 CFAARP CC(C)[NH+]1CCC(C[N@@H+]2CC[C@@H](O)CC(C)(C)C2)CC1 ZINC000828630075 782099745 /nfs/dbraw/zinc/09/97/45/782099745.db2.gz TZAMVGUAAMYIEA-MRXNPFEDSA-N 2 0 282.472 2.590 50 0 CFAARP Cc1ccc(NCCC[NH2+]Cc2cnc(C(C)C)nc2)nc1 ZINC000952989099 650791887 /nfs/dbraw/zinc/79/18/87/650791887.db2.gz BYWZAVOJWBMHKM-UHFFFAOYSA-N 2 0 299.422 2.895 50 0 CFAARP CC(C)[NH+]1CCC([NH2+][C@H](C)C[C@H](O)c2ccco2)CC1 ZINC000097238265 347708667 /nfs/dbraw/zinc/70/86/67/347708667.db2.gz WJNLRSDGVACJSB-HIFRSBDPSA-N 2 0 280.412 2.554 50 0 CFAARP COc1cc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)ccc1F ZINC000169789054 348052592 /nfs/dbraw/zinc/05/25/92/348052592.db2.gz UZODTCXHSKQVEM-HNNXBMFYSA-N 2 0 292.398 2.656 50 0 CFAARP C[NH+](C)CCCN(CCC[NH+](C)C)CC1CCCCC1 ZINC000002479841 371727399 /nfs/dbraw/zinc/72/73/99/371727399.db2.gz UDZPQLZRUGBSBV-UHFFFAOYSA-N 2 0 283.504 2.772 50 0 CFAARP C[C@@H](C[NH2+]Cc1cccs1)C[NH+]1CCCCC1 ZINC000037997549 372755955 /nfs/dbraw/zinc/75/59/55/372755955.db2.gz GNGPMOJIFSTOAY-ZDUSSCGKSA-N 2 0 252.427 2.960 50 0 CFAARP C[C@H](C[NH2+]Cc1cccs1)C[NH+]1CCCCC1 ZINC000037997550 372756063 /nfs/dbraw/zinc/75/60/63/372756063.db2.gz GNGPMOJIFSTOAY-CYBMUJFWSA-N 2 0 252.427 2.960 50 0 CFAARP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CC[C@H](C[NH3+])C2)c1C ZINC000067784528 374002498 /nfs/dbraw/zinc/00/24/98/374002498.db2.gz XLQSXRRTHLXQSR-OAHLLOKOSA-N 2 0 274.408 2.595 50 0 CFAARP C[C@@H](c1cccc(F)c1)[N@H+](C)CC1CC[NH+](CCO)CC1 ZINC000069630103 374080839 /nfs/dbraw/zinc/08/08/39/374080839.db2.gz YNQCJMOTJZIATE-AWEZNQCLSA-N 2 0 294.414 2.523 50 0 CFAARP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C(C)C)CC2)C12CCC2 ZINC000087709183 374827983 /nfs/dbraw/zinc/82/79/83/374827983.db2.gz ATKRYHLUUZEZQF-JKSUJKDBSA-N 2 0 280.456 2.797 50 0 CFAARP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1 ZINC000097095600 375516117 /nfs/dbraw/zinc/51/61/17/375516117.db2.gz RMTOIAKLZVQARC-CJNGLKHVSA-N 2 0 284.407 2.554 50 0 CFAARP CCn1ccc2ccc(C[N@@H+]3CCC[C@H]([NH3+])CC3)cc21 ZINC000097601116 375571158 /nfs/dbraw/zinc/57/11/58/375571158.db2.gz COXDYCUSSWKWDF-INIZCTEOSA-N 2 0 271.408 2.974 50 0 CFAARP c1ccc2c(c1)CC([NH+]1CCC([NH2+]CC3CC3)CC1)C2 ZINC000133608773 377943251 /nfs/dbraw/zinc/94/32/51/377943251.db2.gz FGKCLUTYMVGLJD-UHFFFAOYSA-N 2 0 270.420 2.618 50 0 CFAARP [NH3+]CC1CC[NH+](Cc2cc(F)cc(Cl)c2)CC1 ZINC000161134950 378823986 /nfs/dbraw/zinc/82/39/86/378823986.db2.gz WEPSSHGMTYBYBD-UHFFFAOYSA-N 2 0 256.752 2.650 50 0 CFAARP c1cc(C[NH+]2CCCC2)ccc1C[NH2+][C@H]1CCCOC1 ZINC000162929961 378943494 /nfs/dbraw/zinc/94/34/94/378943494.db2.gz MZJJWRWCILOSOA-KRWDZBQOSA-N 2 0 274.408 2.551 50 0 CFAARP Cc1c[nH+]c(C)n1C[C@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000409420906 380959383 /nfs/dbraw/zinc/95/93/83/380959383.db2.gz BNUFMXYTLRFCIH-KRWDZBQOSA-N 2 0 284.407 2.807 50 0 CFAARP Cc1c[nH+]c(C)n1C[C@@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000409420907 380959718 /nfs/dbraw/zinc/95/97/18/380959718.db2.gz BNUFMXYTLRFCIH-QGZVFWFLSA-N 2 0 284.407 2.807 50 0 CFAARP CC[C@@H]1C=CC[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000215704859 382780330 /nfs/dbraw/zinc/78/03/30/382780330.db2.gz XXCIXSTVHSDRRG-MRXNPFEDSA-N 2 0 274.408 2.777 50 0 CFAARP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1 ZINC000221869179 382799837 /nfs/dbraw/zinc/79/98/37/382799837.db2.gz RMTOIAKLZVQARC-XJKSGUPXSA-N 2 0 284.407 2.554 50 0 CFAARP COc1cc(CN2CCCC[C@@H]2[C@H](C)[NH3+])ccc1C ZINC000261950877 383584724 /nfs/dbraw/zinc/58/47/24/383584724.db2.gz FYCOWUFFGMNIPM-DZGCQCFKSA-N 2 0 262.397 2.705 50 0 CFAARP Fc1ccc(OC[C@H]2CCC[N@@H+]2C[C@@H]2CCC[NH2+]C2)cc1 ZINC000262020310 383596462 /nfs/dbraw/zinc/59/64/62/383596462.db2.gz WCFVEGRVBDGFKY-GDBMZVCRSA-N 2 0 292.398 2.669 50 0 CFAARP CC[C@@H]([NH2+]C1CC[NH+](CC(C)C)CC1)[C@@H]1CCCO1 ZINC000096491740 393834884 /nfs/dbraw/zinc/83/48/84/393834884.db2.gz LTOHEWCDCPPCSW-CVEARBPZSA-N 2 0 268.445 2.654 50 0 CFAARP COCCC[NH+]1CCC([NH2+][C@H]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000252486267 393935440 /nfs/dbraw/zinc/93/54/40/393935440.db2.gz HLGONIWBYQGTHY-QLPKVWCKSA-N 2 0 282.472 2.902 50 0 CFAARP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)C12CCC2 ZINC000108324377 397598087 /nfs/dbraw/zinc/59/80/87/397598087.db2.gz AWTPMGAGJUTLCY-CQJMVSDSSA-N 2 0 280.456 2.652 50 0 CFAARP CCCOc1ccc(C[NH2+]CC2CC[NH2+]CC2)cc1OC ZINC000020968025 171282920 /nfs/dbraw/zinc/28/29/20/171282920.db2.gz NSYSZQOMSABMDJ-UHFFFAOYSA-N 2 0 292.423 2.573 50 0 CFAARP C[NH2+]C[C@H]1CCC[N@@H+]([C@H](C)c2cccc(OC)c2)C1 ZINC000040592876 174347803 /nfs/dbraw/zinc/34/78/03/174347803.db2.gz RRFBGSKHALYDPT-ZIAGYGMSSA-N 2 0 262.397 2.688 50 0 CFAARP Fc1cccc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1F ZINC000071681293 176245350 /nfs/dbraw/zinc/24/53/50/176245350.db2.gz XJPNJXQSIAZYOR-ZDUSSCGKSA-N 2 0 280.362 2.786 50 0 CFAARP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1N(C)C ZINC000093942260 278262210 /nfs/dbraw/zinc/26/22/10/278262210.db2.gz GNLNYDMSBAMWIL-GJZGRUSLSA-N 2 0 287.451 2.888 50 0 CFAARP CC[C@@H](Cn1ccnc1)[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC000952970812 615497735 /nfs/dbraw/zinc/49/77/35/615497735.db2.gz BGCSXOKDAGURKO-HNNXBMFYSA-N 2 0 290.455 2.564 50 0 CFAARP C[N@H+](CCCc1cccnc1)C[C@H]1CC[NH+](C)C1(C)C ZINC000252482846 619060978 /nfs/dbraw/zinc/06/09/78/619060978.db2.gz DOZVRYVISFQAGJ-MRXNPFEDSA-N 2 0 275.440 2.676 50 0 CFAARP C[C@H](NC1CC[NH+](C)CC1)c1cccc(Br)n1 ZINC000863983591 637833026 /nfs/dbraw/zinc/83/30/26/637833026.db2.gz IOOBLBVOVPCNKD-JTQLQIEISA-N 2 0 298.228 2.589 50 0 CFAARP C[C@@H](NC1CC[NH+](C)CC1)c1cccc(Br)n1 ZINC000863983592 637833269 /nfs/dbraw/zinc/83/32/69/637833269.db2.gz IOOBLBVOVPCNKD-SNVBAGLBSA-N 2 0 298.228 2.589 50 0 CFAARP CC[NH+]1CCC(N2CCC[C@@H](C[NH+]3CCCCC3)C2)CC1 ZINC000032561769 769938292 /nfs/dbraw/zinc/93/82/92/769938292.db2.gz LBGIJMJUEKQTTQ-KRWDZBQOSA-N 2 0 293.499 2.669 50 0 CFAARP CC1(C)CC([NH2+]CCc2nccs2)CC(C)(C)[NH2+]1 ZINC000822293571 781896581 /nfs/dbraw/zinc/89/65/81/781896581.db2.gz MMQHWINTXMLRPO-UHFFFAOYSA-N 2 0 267.442 2.584 50 0 CFAARP Cc1cnccc1CC[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000095985133 185055027 /nfs/dbraw/zinc/05/50/27/185055027.db2.gz PKUXEWFZVNZMCO-UHFFFAOYSA-N 2 0 275.440 2.643 50 0 CFAARP COc1cc(F)ccc1C[N@@H+]1CCC[C@H](CC[NH+](C)C)C1 ZINC000670456138 541001588 /nfs/dbraw/zinc/00/15/88/541001588.db2.gz SWXDTLGDGUJGCA-CQSZACIVSA-N 2 0 294.414 2.998 50 0 CFAARP CC(C)=CCC[C@@H](C)[NH2+]CC1(N(C)C)CC[NH+](C)CC1 ZINC000823759624 781937489 /nfs/dbraw/zinc/93/74/89/781937489.db2.gz XZUFQIUWUPFVJB-MRXNPFEDSA-N 2 0 281.488 2.737 50 0 CFAARP CCCCOc1ccc(C[NH+](C)C)cc1C[NH+](C)C ZINC000002315579 371721817 /nfs/dbraw/zinc/72/18/17/371721817.db2.gz MFQTVVLKGLORPU-UHFFFAOYSA-N 2 0 264.413 2.989 50 0 CFAARP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000012381811 371957129 /nfs/dbraw/zinc/95/71/29/371957129.db2.gz XMFGCDSMXOCPDW-MRXNPFEDSA-N 2 0 260.425 2.721 50 0 CFAARP Cc1cccc(N2CC[NH+](CCCC[NH2+]C(C)C)CC2)c1 ZINC000037634905 372679448 /nfs/dbraw/zinc/67/94/48/372679448.db2.gz ODSGDNXCSFKECE-UHFFFAOYSA-N 2 0 289.467 2.895 50 0 CFAARP Cc1ccc(NCCC[NH2+]C2CC[NH+](C(C)C)CC2)nc1 ZINC000065382808 373861449 /nfs/dbraw/zinc/86/14/49/373861449.db2.gz WWFDYEHQIPPYTP-UHFFFAOYSA-N 2 0 290.455 2.654 50 0 CFAARP C/C=C(\C)C[N@@H+]1CCCN(c2cc[nH+]c(C)c2)CC1 ZINC000065407308 373868363 /nfs/dbraw/zinc/86/83/63/373868363.db2.gz LVCPQBHLIHEHSM-LNKIKWGQSA-N 2 0 259.397 2.868 50 0 CFAARP CC[C@@H](C)C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000088504630 374849813 /nfs/dbraw/zinc/84/98/13/374849813.db2.gz QJZLPMYSRGDOBI-OAGGEKHMSA-N 2 0 282.472 2.854 50 0 CFAARP [NH3+][C@H]1CCC[N@H+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000097413392 375557622 /nfs/dbraw/zinc/55/76/22/375557622.db2.gz OGLQAFXYTBODCH-LBPRGKRZSA-N 2 0 288.313 2.898 50 0 CFAARP CC(C)c1csc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)n1 ZINC000097474978 375564167 /nfs/dbraw/zinc/56/41/67/375564167.db2.gz XMMOCKRYTAKRHF-UHFFFAOYSA-N 2 0 279.453 2.842 50 0 CFAARP [NH3+][C@@H]1CC[C@H]2CN(Cc3ncc(-c4ccccc4)s3)C[C@H]12 ZINC000225616000 382819469 /nfs/dbraw/zinc/81/94/69/382819469.db2.gz UVTCEELAJRNNTR-SOUVJXGZSA-N 2 0 299.443 2.979 50 0 CFAARP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCN(C)[C@@H](C)C2)C12CCCC2 ZINC000241969513 382985042 /nfs/dbraw/zinc/98/50/42/382985042.db2.gz UWXAJPDRJCFLFO-YHUYYLMFSA-N 2 0 280.456 2.797 50 0 CFAARP C[C@@H]([NH3+])C1CC[NH+](Cc2cnc3ccccc3c2)CC1 ZINC000261596693 383525775 /nfs/dbraw/zinc/52/57/75/383525775.db2.gz MQEPPBQPLJMOHW-CYBMUJFWSA-N 2 0 269.392 2.794 50 0 CFAARP C[NH+]1CCC2(CC[N@H+](Cc3ccsc3)C2)CC1 ZINC000215097827 397619218 /nfs/dbraw/zinc/61/92/18/397619218.db2.gz XFBAGAGGGJQJGQ-UHFFFAOYSA-N 2 0 250.411 2.666 50 0 CFAARP Fc1cccc(Cl)c1C[NH2+]CC1CC[NH2+]CC1 ZINC000010434640 170406431 /nfs/dbraw/zinc/40/64/31/170406431.db2.gz RIFUUTZSXYOLCJ-UHFFFAOYSA-N 2 0 256.752 2.568 50 0 CFAARP CCCC[N@H+](CCCCO)C[C@@H]1CCC[NH+](C(C)C)C1 ZINC000020864276 171276637 /nfs/dbraw/zinc/27/66/37/171276637.db2.gz QHAUDDBHXNALJV-KRWDZBQOSA-N 2 0 284.488 2.981 50 0 CFAARP CCCOc1ccc(C[NH2+]CCC[NH2+]C)cc1OCC ZINC000020968258 171282643 /nfs/dbraw/zinc/28/26/43/171282643.db2.gz SECUWTUTEJRUQP-UHFFFAOYSA-N 2 0 280.412 2.573 50 0 CFAARP C[NH+](C)/C=C/C=C/c1cc(=O)cc(/C=C/C=C/[NH+](C)C)o1 ZINC000038159587 174135151 /nfs/dbraw/zinc/13/51/51/174135151.db2.gz RLZQAEFMWQGNMY-HFBXSBKTSA-N 2 0 286.375 2.817 50 0 CFAARP Cc1n[nH]cc1C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000071819539 176270553 /nfs/dbraw/zinc/27/05/53/176270553.db2.gz IWDGNMXXIRQRAI-UHFFFAOYSA-N 2 0 284.407 2.604 50 0 CFAARP CCc1ccc(C[NH+]2CCC3(CC[NH2+]CC3)CC2)o1 ZINC000072140259 176323462 /nfs/dbraw/zinc/32/34/62/176323462.db2.gz KCKNWWMFNULBEI-UHFFFAOYSA-N 2 0 262.397 2.808 50 0 CFAARP CCCC[N@H+](C/C=C/c1ccccc1)C[C@@]1(O)CC[NH2+]C1 ZINC000077458285 177271025 /nfs/dbraw/zinc/27/10/25/177271025.db2.gz KETPQHSSICBLNK-RUJXFNLJSA-N 2 0 288.435 2.526 50 0 CFAARP C[N@@H+]1CC[C@H](C[NH3+])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000101424698 277162360 /nfs/dbraw/zinc/16/23/60/277162360.db2.gz IXNHRSPFKLGGAC-ZYHUDNBSSA-N 2 0 258.287 2.657 50 0 CFAARP CC[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1cccc(OC)n1 ZINC000888098535 619132477 /nfs/dbraw/zinc/13/24/77/619132477.db2.gz KGWRDVUYCYBNDJ-HNNXBMFYSA-N 2 0 291.439 2.863 50 0 CFAARP CCCC[N@H+](CCCCO)CC[C@H]1CCCC[NH+]1C ZINC000019809918 651294479 /nfs/dbraw/zinc/29/44/79/651294479.db2.gz LCIVSDZDSMVYTE-MRXNPFEDSA-N 2 0 270.461 2.735 50 0 CFAARP C[C@@H](C1CC[NH+](CC2(C)CCOCC2)CC1)[NH+]1CCCC1 ZINC000821745995 781885337 /nfs/dbraw/zinc/88/53/37/781885337.db2.gz DZIUFTFLHGNWLT-INIZCTEOSA-N 2 0 294.483 2.999 50 0 CFAARP COCC[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)C(C)C ZINC000095969329 185047548 /nfs/dbraw/zinc/04/75/48/185047548.db2.gz UPMMTFKTLXJFJF-HNNXBMFYSA-N 2 0 256.434 2.510 50 0 CFAARP CCC[NH+]1CCC(C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000095987881 185057010 /nfs/dbraw/zinc/05/70/10/185057010.db2.gz OSAZFWMIPVEPLZ-BBWFWOEESA-N 2 0 294.483 2.902 50 0 CFAARP CCCOc1ccc(C[NH+](C)C)cc1C[NH+](C)C ZINC000015746312 346236846 /nfs/dbraw/zinc/23/68/46/346236846.db2.gz HEWVYQOFPCPYCG-UHFFFAOYSA-N 2 0 250.386 2.599 50 0 CFAARP Clc1ccccc1OCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000245281183 348251551 /nfs/dbraw/zinc/25/15/51/348251551.db2.gz ABTYTCCTLAHUKK-KBPBESRZSA-N 2 0 294.826 2.935 50 0 CFAARP C[C@H](Cc1ccc(OCCC[NH+](C)C)cc1)[NH+](C)C ZINC000002049876 371714891 /nfs/dbraw/zinc/71/48/91/371714891.db2.gz SPGRKRODFRAMCW-CQSZACIVSA-N 2 0 264.413 2.510 50 0 CFAARP CC(C)[NH+]1CCC([N@H+](C)CCC[C@H]2CCCO2)CC1 ZINC000032503404 372441231 /nfs/dbraw/zinc/44/12/31/372441231.db2.gz KSUFFOUHGNQUQD-INIZCTEOSA-N 2 0 268.445 2.750 50 0 CFAARP CC(C)[NH+]1CCC([N@H+](C)CCC[C@@H]2CCCO2)CC1 ZINC000032503402 372441398 /nfs/dbraw/zinc/44/13/98/372441398.db2.gz KSUFFOUHGNQUQD-MRXNPFEDSA-N 2 0 268.445 2.750 50 0 CFAARP CC[N@@H+]1CCC[C@@H](C[NH+](C)C2CCSCC2)C1 ZINC000032593227 372447134 /nfs/dbraw/zinc/44/71/34/372447134.db2.gz NTYIEYPUKUXUHT-ZDUSSCGKSA-N 2 0 256.459 2.546 50 0 CFAARP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccccc2)C1 ZINC000041651856 372856854 /nfs/dbraw/zinc/85/68/54/372856854.db2.gz MMHVGNHORNINFX-AWEZNQCLSA-N 2 0 284.407 2.508 50 0 CFAARP COc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000054976516 373532237 /nfs/dbraw/zinc/53/22/37/373532237.db2.gz GDGJJJMFINQFHI-XJKCOSOUSA-N 2 0 262.397 2.514 50 0 CFAARP CC(C)[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000053659635 373483323 /nfs/dbraw/zinc/48/33/23/373483323.db2.gz RETMOKRZBQMNLE-UHFFFAOYSA-N 2 0 252.427 2.958 50 0 CFAARP Cc1cc(C)n(CCC[NH2+]C2CC[NH+](CC(C)C)CC2)n1 ZINC000065421100 373868284 /nfs/dbraw/zinc/86/82/84/373868284.db2.gz BKWDPJCPZZSCHS-UHFFFAOYSA-N 2 0 292.471 2.600 50 0 CFAARP CSc1ccccc1C[NH+]1CCC(C[NH3+])CC1 ZINC000090397576 375010715 /nfs/dbraw/zinc/01/07/15/375010715.db2.gz TZJGKXLVGSFVMV-UHFFFAOYSA-N 2 0 250.411 2.579 50 0 CFAARP COc1cc(C[N@H+](C)C[C@@H]2CCC[NH2+]C2)ccc1SC ZINC000097228996 375541989 /nfs/dbraw/zinc/54/19/89/375541989.db2.gz FRBWSYJJPFDJAU-CQSZACIVSA-N 2 0 294.464 2.849 50 0 CFAARP Cc1c2ccccc2oc1[C@@H](C)[NH2+]CCOCC[NH+](C)C ZINC000170606796 379127695 /nfs/dbraw/zinc/12/76/95/379127695.db2.gz XYDSRGPMFCYUDN-CQSZACIVSA-N 2 0 290.407 2.970 50 0 CFAARP COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2CCn2ccnc2)c1 ZINC000241316690 382983690 /nfs/dbraw/zinc/98/36/90/382983690.db2.gz LUBNCXLQDUSJGG-PBHICJAKSA-N 2 0 285.391 2.975 50 0 CFAARP Cc1cc(N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)c2ccccc2[nH+]1 ZINC000077524091 393699745 /nfs/dbraw/zinc/69/97/45/393699745.db2.gz YHQBTXMHKQBDIM-SUMWQHHRSA-N 2 0 267.376 2.684 50 0 CFAARP CC1CC[NH+](C[C@H]2CCC[N@H+](CC[C@H]3CCCO3)C2)CC1 ZINC000241515757 393798146 /nfs/dbraw/zinc/79/81/46/393798146.db2.gz OHTMGXMSENDZNW-ZWKOTPCHSA-N 2 0 294.483 2.999 50 0 CFAARP CC(C)Oc1ccc(C[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000040719704 174385118 /nfs/dbraw/zinc/38/51/18/174385118.db2.gz NHVPABCWGRDLDP-UHFFFAOYSA-N 2 0 262.397 2.563 50 0 CFAARP c1ccc(N2CC[C@H]([N@@H+]3CCCC4(CC[NH2+]CC4)C3)C2)cc1 ZINC000426473374 275067863 /nfs/dbraw/zinc/06/78/63/275067863.db2.gz DMNMQCLATUTFSL-SFHVURJKSA-N 2 0 299.462 2.731 50 0 CFAARP CC(C)=CCN1CCC([NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000095968975 277324535 /nfs/dbraw/zinc/32/45/35/277324535.db2.gz OHKPOXLHGKWAGQ-ROUUACIJSA-N 2 0 293.499 2.879 50 0 CFAARP CC(C)C[C@]1(CO)CCC[N@H+](C[C@H]2CC[C@@H]([NH3+])CC2)C1 ZINC000243901875 519424300 /nfs/dbraw/zinc/42/43/00/519424300.db2.gz BFAOUEIXMYXTJV-IXDOHACOSA-N 2 0 282.472 2.625 50 0 CFAARP Cc1ccc2[nH]c(C[NH2+][C@H]3CC[C@@H]([NH3+])CC3)cc(=O)c2c1 ZINC000244619932 526248867 /nfs/dbraw/zinc/24/88/67/526248867.db2.gz FISRMAPOAZLLSC-BETUJISGSA-N 2 0 285.391 2.608 50 0 CFAARP [NH3+][C@@H]1CCN(Cc2ccc(-c3ccccc3)s2)C1 ZINC000216044197 570304979 /nfs/dbraw/zinc/30/49/79/570304979.db2.gz NLOZKOKGQJHPAA-CYBMUJFWSA-N 2 0 258.390 2.948 50 0 CFAARP Cn1ccc2cc(C[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)ccc21 ZINC000097742955 230386768 /nfs/dbraw/zinc/38/67/68/230386768.db2.gz USVKVFWZUYYMRC-GOSISDBHSA-N 2 0 283.419 2.754 50 0 CFAARP CC[C@@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000095967809 185046774 /nfs/dbraw/zinc/04/67/74/185046774.db2.gz VANCZKSBRLNGBW-RHSMWYFYSA-N 2 0 293.430 2.502 50 0 CFAARP CC(C)C[NH+]1CCC([NH2+][C@@H](C)CCCC[NH+](C)C)CC1 ZINC000096006897 185063018 /nfs/dbraw/zinc/06/30/18/185063018.db2.gz RDEQAKKPBHXRJB-INIZCTEOSA-N 3 0 283.504 2.817 50 0 CFAARP C[N@@H+]1CCC2(C1)CC[NH+]([C@@H]1CCN(c3ccccc3)C1)CC2 ZINC000584885332 348727439 /nfs/dbraw/zinc/72/74/39/348727439.db2.gz MCBOZNFRQWWWCC-GOSISDBHSA-N 2 0 299.462 2.683 50 0 CFAARP C[C@H](c1ccc(F)cc1)N1CC[C@@H](C[NH+](C)C)C1 ZINC000108322581 186212116 /nfs/dbraw/zinc/21/21/16/186212116.db2.gz YPYAKHUBXKRALR-OLZOCXBDSA-N 2 0 250.361 2.770 50 0 CFAARP Cc1ccccc1CN(CCC[NH+](C)C)CCC[NH+](C)C ZINC000002464076 371728042 /nfs/dbraw/zinc/72/80/42/371728042.db2.gz DMLQEPMGSWFZQX-UHFFFAOYSA-N 2 0 291.483 2.700 50 0 CFAARP Cc1ccsc1CN(CCC[NH+](C)C)CCC[NH+](C)C ZINC000002498760 371729666 /nfs/dbraw/zinc/72/96/66/371729666.db2.gz AXPMFOPLXISTCB-UHFFFAOYSA-N 2 0 297.512 2.762 50 0 CFAARP O=C1[C@H](C[NH+]2CCCCC2)CCC[C@H]1C[NH+]1CCCCC1 ZINC000004134603 371836016 /nfs/dbraw/zinc/83/60/16/371836016.db2.gz UZXQQNLALYSWNF-IRXDYDNUSA-N 2 0 292.467 2.944 50 0 CFAARP C[NH2+]CC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000011889179 371933253 /nfs/dbraw/zinc/93/32/53/371933253.db2.gz YCYILTHAUSXKHN-UHFFFAOYSA-N 2 0 252.789 2.771 50 0 CFAARP Cc1cc(C)c(C[NH2+]CCC[NH+]2CCC(O)CC2)c(C)c1 ZINC000058160270 373629027 /nfs/dbraw/zinc/62/90/27/373629027.db2.gz REROQDBIGGGCHZ-UHFFFAOYSA-N 2 0 290.451 2.548 50 0 CFAARP CCC[C@H](CNC1CC(C)(C)[NH2+]C(C)(C)C1)[NH+](C)C ZINC000067713273 373994068 /nfs/dbraw/zinc/99/40/68/373994068.db2.gz CWXCBIFNMBGORV-CQSZACIVSA-N 2 0 269.477 2.616 50 0 CFAARP CS[C@H](C)CC[NH+]1CCN(c2cc(C)[nH+]c(C)c2)CC1 ZINC000072419750 374252176 /nfs/dbraw/zinc/25/21/76/374252176.db2.gz BBKHNRAJAWRRPQ-OAHLLOKOSA-N 2 0 293.480 2.962 50 0 CFAARP CCn1cc(C[N@@H+]2CC[C@H](n3c(C)c[nH+]c3C3CC3)C2)cn1 ZINC000575547949 382773809 /nfs/dbraw/zinc/77/38/09/382773809.db2.gz AZHZNBCJNWIXQO-INIZCTEOSA-N 2 0 299.422 2.732 50 0 CFAARP C[C@@H](c1ccc(C[N@H+](C)CCn2ccnc2)cc1)[NH+](C)C ZINC000215353135 382778594 /nfs/dbraw/zinc/77/85/94/382778594.db2.gz SUOHSGAPMQOQAT-HNNXBMFYSA-N 2 0 286.423 2.638 50 0 CFAARP CC[C@H](c1cccnc1)[N@H+](C)C[C@H]1CC[C@@H]([NH3+])CC1 ZINC000253378333 383453793 /nfs/dbraw/zinc/45/37/93/383453793.db2.gz BZWQUENPWHRRFE-VNQPRFMTSA-N 2 0 261.413 2.982 50 0 CFAARP Cc1cc(C)cc([C@@H](O)C[NH2+]C2CC[NH+](C(C)C)CC2)c1 ZINC000282525072 385334983 /nfs/dbraw/zinc/33/49/83/385334983.db2.gz UXQQIOUQCOCCFI-SFHVURJKSA-N 2 0 290.451 2.799 50 0 CFAARP C[C@H]([NH2+][C@@H]1CCSC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000096004789 393814424 /nfs/dbraw/zinc/81/44/24/393814424.db2.gz BWUXZJWQECJIGD-BFHYXJOUSA-N 2 0 268.470 2.735 50 0 CFAARP Clc1ccc(/C=C/C[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000010434743 170406642 /nfs/dbraw/zinc/40/66/42/170406642.db2.gz JBTHCCPSXGBYQZ-OWOJBTEDSA-N 2 0 264.800 2.942 50 0 CFAARP CCCOc1ccc(C[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000020967372 171282430 /nfs/dbraw/zinc/28/24/30/171282430.db2.gz GGUYOMWCCVKMOL-UHFFFAOYSA-N 2 0 262.397 2.565 50 0 CFAARP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H](C)c2cccc(OC)c2)C1 ZINC000040592873 174347968 /nfs/dbraw/zinc/34/79/68/174347968.db2.gz RRFBGSKHALYDPT-UONOGXRCSA-N 2 0 262.397 2.688 50 0 CFAARP c1ccc(CC[N@@H+]2CC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000071422253 176160790 /nfs/dbraw/zinc/16/07/90/176160790.db2.gz PAUPVPHCSXHNKM-QGZVFWFLSA-N 2 0 258.409 2.551 50 0 CFAARP CCCc1ccc(C[N@@H+]2CCC[C@](O)(C[NH+](C)C)CC2)o1 ZINC000072161007 176329880 /nfs/dbraw/zinc/32/98/80/176329880.db2.gz LERDGMWGEGIJHY-QGZVFWFLSA-N 2 0 294.439 2.511 50 0 CFAARP CS[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000095968630 278144504 /nfs/dbraw/zinc/14/45/04/278144504.db2.gz CNTSAFSVTBXPHM-LSDHHAIUSA-N 2 0 270.486 2.981 50 0 CFAARP c1cc2ccc(C[N@@H+]3CCCC4(CC[NH2+]CC4)CC3)nc2[nH]1 ZINC000534657135 328340800 /nfs/dbraw/zinc/34/08/00/328340800.db2.gz UUADXEWOGKXIJR-UHFFFAOYSA-N 2 0 298.434 2.919 50 0 CFAARP CC(C)[NH+]1CCC(C[N@H+](C)CC2(CO)CCCC2)CC1 ZINC000828686728 782103514 /nfs/dbraw/zinc/10/35/14/782103514.db2.gz ABDKMPXDKPVZPK-UHFFFAOYSA-N 2 0 282.472 2.591 50 0 CFAARP CC(C)Oc1ccc(C[NH+](C)C)cc1C[NH+](C)C ZINC000005094188 619085729 /nfs/dbraw/zinc/08/57/29/619085729.db2.gz ACMKIZQQCLBIQE-UHFFFAOYSA-N 2 0 250.386 2.597 50 0 CFAARP C[N@@H+](Cc1ccc2ncccc2c1)CC1CC[NH2+]CC1 ZINC000067934939 624966216 /nfs/dbraw/zinc/96/62/16/624966216.db2.gz FOOBIJSQWOTYBO-UHFFFAOYSA-N 2 0 269.392 2.666 50 0 CFAARP CN1CCC([N@H+](C)C[C@H]2CCN(c3ccccc3)C2)CC1 ZINC000952973715 626115721 /nfs/dbraw/zinc/11/57/21/626115721.db2.gz PAYBUJDVYQKALR-MRXNPFEDSA-N 2 0 287.451 2.539 50 0 CFAARP CC[N@@H+]1CCC[C@H](CN2CCC[NH+](C3CCCC3)CC2)C1 ZINC000020999196 651302428 /nfs/dbraw/zinc/30/24/28/651302428.db2.gz GDAJOKJEOCFCAI-KRWDZBQOSA-N 2 0 293.499 2.669 50 0 CFAARP C[NH+](C)Cc1csc(CN2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000097831172 230387767 /nfs/dbraw/zinc/38/77/67/230387767.db2.gz WAEKZAIDHILBQU-OAHLLOKOSA-N 2 0 295.496 2.726 50 0 CFAARP COc1cc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)ccc1F ZINC000169789053 348052112 /nfs/dbraw/zinc/05/21/12/348052112.db2.gz UZODTCXHSKQVEM-OAHLLOKOSA-N 2 0 292.398 2.656 50 0 CFAARP COC[C@H]1C[N@H+](C)CC12CC[NH+](Cc1ccsc1)CC2 ZINC000169789909 348052486 /nfs/dbraw/zinc/05/24/86/348052486.db2.gz RYWIZZMUDZJGHX-OAHLLOKOSA-N 2 0 294.464 2.538 50 0 CFAARP Cc1ccccc1OC[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000245343817 348252027 /nfs/dbraw/zinc/25/20/27/348252027.db2.gz VUWRZGJYAXLRIP-ULQDDVLXSA-N 2 0 288.435 2.979 50 0 CFAARP CC1(C)CC([NH2+]Cc2ccc3[nH]cnc3c2)CC(C)(C)[NH2+]1 ZINC000590880807 348961408 /nfs/dbraw/zinc/96/14/08/348961408.db2.gz ITPIJXZHVKUNAJ-UHFFFAOYSA-N 2 0 286.423 2.962 50 0 CFAARP Clc1ccccc1OCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000090772480 180038001 /nfs/dbraw/zinc/03/80/01/180038001.db2.gz ABTYTCCTLAHUKK-ZIAGYGMSSA-N 2 0 294.826 2.935 50 0 CFAARP C[NH2+]CC1CC[NH+](Cc2cc(F)ccc2C)CC1 ZINC000157078161 188296350 /nfs/dbraw/zinc/29/63/50/188296350.db2.gz VVUOTUPYYFARJB-UHFFFAOYSA-N 2 0 250.361 2.566 50 0 CFAARP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CC(C)(C)OC2(C)C)C[C@@H]1C ZINC000685939689 540020395 /nfs/dbraw/zinc/02/03/95/540020395.db2.gz WFXWISMKVMFDQC-IHRRRGAJSA-N 2 0 268.445 2.795 50 0 CFAARP C[NH+]1CCC(Cc2ccc(C[NH2+]C3CC3)cc2)CC1 ZINC000169676878 188662032 /nfs/dbraw/zinc/66/20/32/188662032.db2.gz VFIQMWCLNRJGTO-UHFFFAOYSA-N 2 0 258.409 2.823 50 0 CFAARP C[N@@H+]1CCC2(C1)CC[NH+](C[C@@H]1CCOC(C)(C)C1)CC2 ZINC000823770036 781938239 /nfs/dbraw/zinc/93/82/39/781938239.db2.gz JOHPZLZKEPIGJC-OAHLLOKOSA-N 2 0 280.456 2.609 50 0 CFAARP CC(C)=CCC[C@H](C)[NH2+]CC1(N(C)C)CC[NH+](C)CC1 ZINC000823759623 781938441 /nfs/dbraw/zinc/93/84/41/781938441.db2.gz XZUFQIUWUPFVJB-INIZCTEOSA-N 2 0 281.488 2.737 50 0 CFAARP CC(C)=CCC[C@@H](C)[NH2+]CC1(CN2CC[NH+](C)CC2)CC1 ZINC000823789121 781938827 /nfs/dbraw/zinc/93/88/27/781938827.db2.gz IPJHTADSFWYHKO-QGZVFWFLSA-N 2 0 293.499 2.739 50 0 CFAARP CCOc1ccc(Cl)cc1C[NH2+]CC1CC[NH2+]CC1 ZINC000010434675 371908593 /nfs/dbraw/zinc/90/85/93/371908593.db2.gz RFWAILQBKBAFHN-UHFFFAOYSA-N 2 0 282.815 2.828 50 0 CFAARP CC[NH+]1CCN(C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000019888982 372204022 /nfs/dbraw/zinc/20/40/22/372204022.db2.gz YILRBLMNNNHMEW-WMZOPIPTSA-N 2 0 293.499 2.667 50 0 CFAARP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CC[C@@H](C[NH3+])C2)c1C ZINC000067784532 374002737 /nfs/dbraw/zinc/00/27/37/374002737.db2.gz XLQSXRRTHLXQSR-HNNXBMFYSA-N 2 0 274.408 2.595 50 0 CFAARP C[C@@H](c1ccccc1F)[N@H+](C)CC1CC[NH+](CCO)CC1 ZINC000069626923 374081361 /nfs/dbraw/zinc/08/13/61/374081361.db2.gz ZAUGAIWQMZSCGN-AWEZNQCLSA-N 2 0 294.414 2.523 50 0 CFAARP C[C@@H](O)C[NH+]1CCC(C[NH2+]Cc2ccccc2Cl)CC1 ZINC000069347447 374056098 /nfs/dbraw/zinc/05/60/98/374056098.db2.gz OLDVVVZEUABYJY-CYBMUJFWSA-N 2 0 296.842 2.522 50 0 CFAARP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1N(C)C ZINC000093942262 375331986 /nfs/dbraw/zinc/33/19/86/375331986.db2.gz GNLNYDMSBAMWIL-LSDHHAIUSA-N 2 0 287.451 2.888 50 0 CFAARP CSCC[C@H](C)[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000095968198 375465244 /nfs/dbraw/zinc/46/52/44/375465244.db2.gz SQQPNWNQFZLKLN-ZDUSSCGKSA-N 2 0 258.475 2.838 50 0 CFAARP CCc1c(C)[nH+]c(N)nc1NCc1ccc(C[NH+](C)C)cc1 ZINC000095362293 375421942 /nfs/dbraw/zinc/42/19/42/375421942.db2.gz JCWLSNCXGHDTMS-UHFFFAOYSA-N 2 0 299.422 2.603 50 0 CFAARP COCCC1(C[NH2+]C2CC[NH+](CC3CC3)CC2)CCC1 ZINC000095423768 375441992 /nfs/dbraw/zinc/44/19/92/375441992.db2.gz NJKMOQAWIMSJAT-UHFFFAOYSA-N 2 0 280.456 2.657 50 0 CFAARP C[C@@H](NCC[NH+]1CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000096502723 375488963 /nfs/dbraw/zinc/48/89/63/375488963.db2.gz JZUXBIADDVIZDY-SJORKVTESA-N 2 0 293.499 2.715 50 0 CFAARP C[N@@H+](Cc1ccc2cc(O)ccc2c1)C[C@H]1CC[NH+](C)C1 ZINC000097259215 375547248 /nfs/dbraw/zinc/54/72/48/375547248.db2.gz XJGNMFGKNHOWGY-HNNXBMFYSA-N 2 0 284.403 2.929 50 0 CFAARP c1ccc2c(c1)CC[N@@H+](Cc1ccc3c(c1)C[NH2+]CCO3)C2 ZINC000169676641 379107664 /nfs/dbraw/zinc/10/76/64/379107664.db2.gz ZHVLCFHYQCYCBJ-UHFFFAOYSA-N 2 0 294.398 2.727 50 0 CFAARP COc1ccc(CN(C)C[C@@]2(C)CC[N@H+](C)C2)c(F)c1 ZINC000215391289 382778685 /nfs/dbraw/zinc/77/86/85/382778685.db2.gz JAOVIJNMVOXDBZ-INIZCTEOSA-N 2 0 280.387 2.608 50 0 CFAARP Cc1nccn1C[C@@H]1CCCN1c1nc2ccccc2[nH]1 ZINC000225597134 382819040 /nfs/dbraw/zinc/81/90/40/382819040.db2.gz YYRQMOOKWCSNJS-ZDUSSCGKSA-N 2 0 281.363 2.737 50 0 CFAARP CC[C@@H](c1ccccn1)[N@H+](C)C[C@H]1CC[C@@H]([NH3+])CC1 ZINC000244831573 382992466 /nfs/dbraw/zinc/99/24/66/382992466.db2.gz UGJSHBVSLXRHGJ-LZWOXQAQSA-N 2 0 261.413 2.982 50 0 CFAARP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)C12CCC2 ZINC000247136704 383145825 /nfs/dbraw/zinc/14/58/25/383145825.db2.gz AWTPMGAGJUTLCY-DGADGQDISA-N 2 0 280.456 2.652 50 0 CFAARP CC[NH2+]CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000048784586 393601365 /nfs/dbraw/zinc/60/13/65/393601365.db2.gz RFEDXRAWMNTZSX-UHFFFAOYSA-N 2 0 260.425 2.941 50 0 CFAARP COc1ccccc1C[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000044533350 175196775 /nfs/dbraw/zinc/19/67/75/175196775.db2.gz VFETUJSFKPCWAY-CABCVRRESA-N 2 0 276.424 2.558 50 0 CFAARP CCCc1ccc(C[N@@H+]2CCC[C@@](O)(C[NH+](C)C)CC2)o1 ZINC000072161008 176330136 /nfs/dbraw/zinc/33/01/36/176330136.db2.gz LERDGMWGEGIJHY-KRWDZBQOSA-N 2 0 294.439 2.511 50 0 CFAARP COc1ccccc1C[C@H](C)[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000000217695 651101345 /nfs/dbraw/zinc/10/13/45/651101345.db2.gz XTNDQECBOQUYKJ-GOEBONIOSA-N 2 0 276.424 2.700 50 0 CFAARP C[NH+](C)CCOc1ccccc1-c1ccccc1C[NH3+] ZINC000096130274 185103839 /nfs/dbraw/zinc/10/38/39/185103839.db2.gz MPWCKZZZRRGCCD-UHFFFAOYSA-N 2 0 270.376 2.753 50 0 CFAARP COc1cccc(CCC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000245289719 348251655 /nfs/dbraw/zinc/25/16/55/348251655.db2.gz DQHPUMSWRXQKSJ-IRXDYDNUSA-N 2 0 288.435 2.844 50 0 CFAARP CCc1nccn1C[C@H](C)[NH2+]Cc1nc2ccccc2n1C ZINC000584884933 348726651 /nfs/dbraw/zinc/72/66/51/348726651.db2.gz QJGBPKKQNMYHOE-ZDUSSCGKSA-N 2 0 297.406 2.511 50 0 CFAARP C[NH+]1CCC2(CC1)C[C@@H](c1ccccc1)C[N@H+](C)C2 ZINC000091626125 180210552 /nfs/dbraw/zinc/21/05/52/180210552.db2.gz COWOILUANTXDLX-MRXNPFEDSA-N 2 0 258.409 2.818 50 0 CFAARP CN1CCC(CNc2ccc3ccccc3n2)([NH+](C)C)CC1 ZINC000823759423 781938037 /nfs/dbraw/zinc/93/80/37/781938037.db2.gz ITAKYEIICCNSTR-UHFFFAOYSA-N 2 0 298.434 2.673 50 0 CFAARP C[N@@H+]1CCC[C@H]1CC[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000000277387 371576467 /nfs/dbraw/zinc/57/64/67/371576467.db2.gz RSNBIESXEKYLMW-IKXAHOJESA-N 2 0 262.441 2.885 50 0 CFAARP Cc1cc(C)c(CSC(N)=[NH2+])c(C)c1CSC(N)=[NH2+] ZINC000004323658 371848560 /nfs/dbraw/zinc/84/85/60/371848560.db2.gz JTFHJACDFMAMNL-UHFFFAOYSA-N 2 0 296.465 2.865 50 0 CFAARP CC(C)COc1ccc(C[NH+](C)C)cc1C[NH+](C)C ZINC000004507107 371860313 /nfs/dbraw/zinc/86/03/13/371860313.db2.gz PRVFVQYIYXLGCO-UHFFFAOYSA-N 2 0 264.413 2.845 50 0 CFAARP Brc1cccc(C[NH2+]CC2CC[NH2+]CC2)c1 ZINC000010434660 371908676 /nfs/dbraw/zinc/90/86/76/371908676.db2.gz ZLEAFTGSKYQFSO-UHFFFAOYSA-N 2 0 283.213 2.538 50 0 CFAARP CCN(CC)[C@@H](C[NH2+]CC1CC[NH+](C)CC1)c1ccco1 ZINC000032592837 372447907 /nfs/dbraw/zinc/44/79/07/372447907.db2.gz HUKCKZLKRYNABC-INIZCTEOSA-N 2 0 293.455 2.594 50 0 CFAARP C[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccccc1Cl ZINC000069511835 374069769 /nfs/dbraw/zinc/06/97/69/374069769.db2.gz DZBSDLDPBOACKM-CYBMUJFWSA-N 2 0 296.842 2.695 50 0 CFAARP Cc1cc(N2CCC(C3CC[NH+](C)CC3)CC2)cc[nH+]1 ZINC000096130326 375469248 /nfs/dbraw/zinc/46/92/48/375469248.db2.gz HYLYNDOBKSBZQB-UHFFFAOYSA-N 2 0 273.424 2.948 50 0 CFAARP Fc1ccccc1CC1CC[NH+](C[C@H]2[C@@H]3C[NH2+]C[C@H]23)CC1 ZINC000101986511 375662723 /nfs/dbraw/zinc/66/27/23/375662723.db2.gz PAYZXXOVJHOABT-FVQHAEBGSA-N 2 0 288.410 2.546 50 0 CFAARP Cc1ccc(F)cc1CN1CC[C@H](C[NH+](C)C)C1 ZINC000170593006 379121269 /nfs/dbraw/zinc/12/12/69/379121269.db2.gz JELLUJGBHPEFPV-CYBMUJFWSA-N 2 0 250.361 2.518 50 0 CFAARP Cc1ccc(F)cc1CN1CC[C@@H](C[NH+](C)C)C1 ZINC000170593007 379122500 /nfs/dbraw/zinc/12/25/00/379122500.db2.gz JELLUJGBHPEFPV-ZDUSSCGKSA-N 2 0 250.361 2.518 50 0 CFAARP C[C@@H]1CC[N@H+](CC[C@H]2CCCC[NH+]2C)CCS1 ZINC000390835077 382619550 /nfs/dbraw/zinc/61/95/50/382619550.db2.gz CCDQOCXZUHTZMX-ZIAGYGMSSA-N 2 0 256.459 2.688 50 0 CFAARP C[C@@H]1CC[N@H+](CC[C@@H]2CCCC[NH+]2C)CCS1 ZINC000390835075 382619870 /nfs/dbraw/zinc/61/98/70/382619870.db2.gz CCDQOCXZUHTZMX-KGLIPLIRSA-N 2 0 256.459 2.688 50 0 CFAARP CCC(CC)[NH+]1CCC(N2CCC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000225410268 382815296 /nfs/dbraw/zinc/81/52/96/382815296.db2.gz RSSYKOUHCFKMGS-LSDHHAIUSA-N 3 0 281.488 2.699 50 0 CFAARP C[NH+](C)[C@@H]1CCC[N@H+](CCCc2ccco2)CC1 ZINC000252503966 383415072 /nfs/dbraw/zinc/41/50/72/383415072.db2.gz VHNNLUGNNNTFQU-CQSZACIVSA-N 2 0 250.386 2.628 50 0 CFAARP Fc1ccc(OC[C@@H]2CCC[N@@H+]2C[C@H]2CCC[NH2+]C2)cc1 ZINC000262020313 383596433 /nfs/dbraw/zinc/59/64/33/383596433.db2.gz WCFVEGRVBDGFKY-HOCLYGCPSA-N 2 0 292.398 2.669 50 0 CFAARP COCCC[NH+]1CCC([NH2+][C@@H]2CC[C@@H](C)[C@H](C)C2)CC1 ZINC000108501925 397598426 /nfs/dbraw/zinc/59/84/26/397598426.db2.gz VOSZRWVKSHDDNX-BFYDXBDKSA-N 2 0 282.472 2.902 50 0 CFAARP COCC1([NH2+]C2CCC3(CC[NH2+]CC3)CC2)CCCC1 ZINC000067674060 292252158 /nfs/dbraw/zinc/25/21/58/292252158.db2.gz GZZWRUCUOLXDRB-UHFFFAOYSA-N 2 0 280.456 2.848 50 0 CFAARP COCCC[C@H]1CCC[N@H+](Cc2cccc(CC[NH3+])c2)C1 ZINC000077518619 177277477 /nfs/dbraw/zinc/27/74/77/177277477.db2.gz BNURZHCLEHTNSN-QGZVFWFLSA-N 2 0 290.451 2.826 50 0 CFAARP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C12CCC2 ZINC000095968522 276344266 /nfs/dbraw/zinc/34/42/66/276344266.db2.gz DOMCDIBRVQOPJM-IAGOWNOFSA-N 2 0 292.467 2.798 50 0 CFAARP CS[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000095968628 277528217 /nfs/dbraw/zinc/52/82/17/277528217.db2.gz CNTSAFSVTBXPHM-GJZGRUSLSA-N 2 0 270.486 2.981 50 0 CFAARP CC(C)(C[NH+]1CCCC1)C[N@@H+]1CCC[C@H](CCCO)C1 ZINC000828748557 782105277 /nfs/dbraw/zinc/10/52/77/782105277.db2.gz KBXDVRGXCBFXJN-MRXNPFEDSA-N 2 0 282.472 2.593 50 0 CFAARP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC)c(Cl)c2)C1 ZINC000086585493 179310268 /nfs/dbraw/zinc/31/02/68/179310268.db2.gz BDOJVAGKAPCIRE-ZDUSSCGKSA-N 2 0 282.815 2.780 50 0 CFAARP C[NH2+]C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000011888811 371933618 /nfs/dbraw/zinc/93/36/18/371933618.db2.gz UBQXDXFPOHBPAE-CQSZACIVSA-N 2 0 266.816 2.814 50 0 CFAARP CCN(CC[NH+](C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000019636227 372178790 /nfs/dbraw/zinc/17/87/90/372178790.db2.gz YLJQMZZGVLFQCW-UHFFFAOYSA-N 2 0 289.467 2.535 50 0 CFAARP CC[NH+]1CCN(C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000019888976 372203313 /nfs/dbraw/zinc/20/33/13/372203313.db2.gz YILRBLMNNNHMEW-SJLPKXTDSA-N 2 0 293.499 2.667 50 0 CFAARP CCC[NH+]1CCC([N@H+](C)CCC[C@H]2CCCO2)CC1 ZINC000032541231 372443265 /nfs/dbraw/zinc/44/32/65/372443265.db2.gz INOMOGODLUVEJE-INIZCTEOSA-N 2 0 268.445 2.752 50 0 CFAARP C[C@H](O)C[NH+]1CCC(C[NH2+]Cc2ccccc2Cl)CC1 ZINC000069347445 374056233 /nfs/dbraw/zinc/05/62/33/374056233.db2.gz OLDVVVZEUABYJY-ZDUSSCGKSA-N 2 0 296.842 2.522 50 0 CFAARP Cc1ccccc1N1CCC([N@@H+]2C[C@H]([NH3+])[C@@H](C3CC3)C2)CC1 ZINC000091593152 375053667 /nfs/dbraw/zinc/05/36/67/375053667.db2.gz SVMAZJRJXHOCRC-MSOLQXFVSA-N 2 0 299.462 2.633 50 0 CFAARP Cc1n[nH]cc1C[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000097159177 375532276 /nfs/dbraw/zinc/53/22/76/375532276.db2.gz DQPORTNPTCOLQY-UHFFFAOYSA-N 2 0 298.434 2.994 50 0 CFAARP C/C=C/C[C@H](CO)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000186493440 381926500 /nfs/dbraw/zinc/92/65/00/381926500.db2.gz JPPGUHAJHPWQKD-WOMSROEHSA-N 2 0 280.456 2.700 50 0 CFAARP c1ccc(COCCC[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000420304358 382353612 /nfs/dbraw/zinc/35/36/12/382353612.db2.gz IRIACQOSOYSGPV-UHFFFAOYSA-N 2 0 288.435 2.669 50 0 CFAARP O[C@@H]1CC[C@@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000189312739 382590307 /nfs/dbraw/zinc/59/03/07/382590307.db2.gz NNTHZSWCDKARBH-RHSMWYFYSA-N 2 0 280.456 2.534 50 0 CFAARP Cc1nnc([C@H](C)N2CC[C@@H](C)[C@H](n3ccnc3)C2)s1 ZINC000230246021 382857877 /nfs/dbraw/zinc/85/78/77/382857877.db2.gz VHHKUNNWRMAQFJ-NTZNESFSSA-N 2 0 291.424 2.687 50 0 CFAARP COc1cccc([C@H]2C[C@H](C)C[N@@H+]2CCn2ccnc2)c1 ZINC000241316692 382983336 /nfs/dbraw/zinc/98/33/36/382983336.db2.gz LUBNCXLQDUSJGG-WMLDXEAASA-N 2 0 285.391 2.975 50 0 CFAARP CCCOc1cccc(C[NH2+]CC2CC[NH2+]CC2)c1 ZINC000020967326 171282488 /nfs/dbraw/zinc/28/24/88/171282488.db2.gz BVMXXLVEWQPGLW-UHFFFAOYSA-N 2 0 262.397 2.565 50 0 CFAARP CCOc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1OC ZINC000044533720 175196970 /nfs/dbraw/zinc/19/69/70/175196970.db2.gz SXPCKPACECQRKL-OAHLLOKOSA-N 2 0 292.423 2.525 50 0 CFAARP Cc1n[nH]cc1C[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000071828196 176272474 /nfs/dbraw/zinc/27/24/74/176272474.db2.gz VZSBFJWJWPIKMG-UHFFFAOYSA-N 2 0 298.434 2.720 50 0 CFAARP C[C@@H](C1CC[NH+](CCCc2cn[nH]c2)CC1)[NH+]1CCCC1 ZINC000032577580 779064900 /nfs/dbraw/zinc/06/49/00/779064900.db2.gz KINPMQJCHRQLRN-HNNXBMFYSA-N 2 0 290.455 2.539 50 0 CFAARP C(CC[NH+]1CCCCCC1)C[NH2+][C@@H]1CCSC1 ZINC000820385524 781867846 /nfs/dbraw/zinc/86/78/46/781867846.db2.gz LRVZPZHWBWOHPE-CQSZACIVSA-N 2 0 256.459 2.738 50 0 CFAARP CC(C)(C[NH+]1CCCC1)C[NH+]1CCC(C(C)(C)O)CC1 ZINC000821260092 781881606 /nfs/dbraw/zinc/88/16/06/781881606.db2.gz MRVGDILRHQWUBT-UHFFFAOYSA-N 2 0 282.472 2.591 50 0 CFAARP C[C@H](C1CC[NH+](CC2(C)CCOCC2)CC1)[NH+]1CCCC1 ZINC000821745996 781886004 /nfs/dbraw/zinc/88/60/04/781886004.db2.gz DZIUFTFLHGNWLT-MRXNPFEDSA-N 2 0 294.483 2.999 50 0 CFAARP CC[C@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000095967806 185046778 /nfs/dbraw/zinc/04/67/78/185046778.db2.gz VANCZKSBRLNGBW-YOEHRIQHSA-N 2 0 293.430 2.502 50 0 CFAARP CC(C)=CC[NH+]1CCC(N2CCCC[C@H]([NH+](C)C)C2)CC1 ZINC000082137791 540079736 /nfs/dbraw/zinc/07/97/36/540079736.db2.gz OTDRLMNWLZFGQA-SFHVURJKSA-N 2 0 293.499 2.833 50 0 CFAARP [NH3+]CCCOCCCCCCCCCCOCCC[NH3+] ZINC000004582473 371866157 /nfs/dbraw/zinc/86/61/57/371866157.db2.gz FVVUIKUMXGZZBD-UHFFFAOYSA-N 2 0 288.476 2.838 50 0 CFAARP COc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000013424570 372026451 /nfs/dbraw/zinc/02/64/51/372026451.db2.gz GDGJJJMFINQFHI-WOSRLPQWSA-N 2 0 262.397 2.514 50 0 CFAARP C[N@H+](CC1CC[NH+](Cc2ccco2)CC1)C1CCOCC1 ZINC000019335601 372156522 /nfs/dbraw/zinc/15/65/22/372156522.db2.gz MTLCWBLYMUQPMJ-UHFFFAOYSA-N 2 0 292.423 2.602 50 0 CFAARP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1ccccc1F ZINC000036907735 372610030 /nfs/dbraw/zinc/61/00/30/372610030.db2.gz WFPZAPNLWPQIOM-IOASZLSFSA-N 2 0 264.388 2.687 50 0 CFAARP C[C@@H](O)C[NH+]1CCC(C[NH2+][C@@H](C)c2ccccc2F)CC1 ZINC000069514045 374070034 /nfs/dbraw/zinc/07/00/34/374070034.db2.gz KOIQCHZIKRLTRB-KGLIPLIRSA-N 2 0 294.414 2.569 50 0 CFAARP CCC[NH+]1CCC([NH2+][C@H]2C[C@H](OCC)C23CCC3)CC1 ZINC000087709188 374827359 /nfs/dbraw/zinc/82/73/59/374827359.db2.gz GPACHYKNZQBJDA-HOTGVXAUSA-N 2 0 280.456 2.798 50 0 CFAARP [NH3+][C@@H]1CCC[N@H+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000097413393 375558610 /nfs/dbraw/zinc/55/86/10/375558610.db2.gz OGLQAFXYTBODCH-GFCCVEGCSA-N 2 0 288.313 2.898 50 0 CFAARP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc(-n3cccn3)cc2)CC1 ZINC000097655503 375575251 /nfs/dbraw/zinc/57/52/51/375575251.db2.gz XVISUGFYYLUPHG-QGZVFWFLSA-N 2 0 298.434 2.788 50 0 CFAARP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc(-n3cccn3)cc2)CC1 ZINC000097655504 375575346 /nfs/dbraw/zinc/57/53/46/375575346.db2.gz XVISUGFYYLUPHG-KRWDZBQOSA-N 2 0 298.434 2.788 50 0 CFAARP Cc1nccn1CCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000124773325 377087151 /nfs/dbraw/zinc/08/71/51/377087151.db2.gz FTMFRIQOZSZRDZ-UHFFFAOYSA-N 2 0 298.434 2.712 50 0 CFAARP Cc1c2ccccc2oc1[C@H](C)[NH2+]CCOCC[NH+](C)C ZINC000170606797 379127468 /nfs/dbraw/zinc/12/74/68/379127468.db2.gz XYDSRGPMFCYUDN-AWEZNQCLSA-N 2 0 290.407 2.970 50 0 CFAARP CC[C@@H](C)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000170637851 379133571 /nfs/dbraw/zinc/13/35/71/379133571.db2.gz TUSXVMKYEJGDTC-KFWWJZLASA-N 2 0 268.445 2.606 50 0 CFAARP CC(C)[C@@H]([NH2+]CCOCC[NH+](C)C)c1ccccc1 ZINC000170676492 379138046 /nfs/dbraw/zinc/13/80/46/379138046.db2.gz YHBFXYKSVVTRAE-MRXNPFEDSA-N 2 0 264.413 2.552 50 0 CFAARP C[C@H]1CC[N@H+](CC[C@@H]2CCCC[NH+]2C)CCS1 ZINC000390835074 382619662 /nfs/dbraw/zinc/61/96/62/382619662.db2.gz CCDQOCXZUHTZMX-KBPBESRZSA-N 2 0 256.459 2.688 50 0 CFAARP CC(C)[NH2+]CCN1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000193441779 382719894 /nfs/dbraw/zinc/71/98/94/382719894.db2.gz VFYBPYWPTSHAFI-KRWDZBQOSA-N 2 0 294.414 2.569 50 0 CFAARP CC[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccc3cc[nH]c32)C1 ZINC000215893872 382781408 /nfs/dbraw/zinc/78/14/08/382781408.db2.gz QAOAHNSIJLNRCB-AWEZNQCLSA-N 2 0 271.408 2.942 50 0 CFAARP CC(C)[C@H](C(=O)OCC1([NH+](C)C)CCC1)[NH+]1CCCCC1 ZINC000225857116 382823031 /nfs/dbraw/zinc/82/30/31/382823031.db2.gz LOLZQKMCQYBGNA-OAHLLOKOSA-N 2 0 296.455 2.524 50 0 CFAARP Clc1ccccc1N1CCC([NH2+]C[C@H]2CCC[NH2+]2)CC1 ZINC000426716827 383410064 /nfs/dbraw/zinc/41/00/64/383410064.db2.gz GRIKRMAPOOFODY-CQSZACIVSA-N 2 0 293.842 2.650 50 0 CFAARP COc1cc(CN2CCCC[C@H]2[C@H](C)[NH3+])ccc1C ZINC000261950880 383583824 /nfs/dbraw/zinc/58/38/24/383583824.db2.gz FYCOWUFFGMNIPM-ZFWWWQNUSA-N 2 0 262.397 2.705 50 0 CFAARP COc1cc(CN2CCCC[C@@H]2[C@@H](C)[NH3+])ccc1C ZINC000261950879 383584834 /nfs/dbraw/zinc/58/48/34/383584834.db2.gz FYCOWUFFGMNIPM-UKRRQHHQSA-N 2 0 262.397 2.705 50 0 CFAARP [NH3+]C[C@H]1CCC[N@@H+](C2CCc3ccccc3CC2)C1 ZINC000426401869 393888533 /nfs/dbraw/zinc/88/85/33/393888533.db2.gz MCCHRWKZGQHPML-CQSZACIVSA-N 2 0 258.409 2.605 50 0 CFAARP Cc1cc[n+](CCCC[n+]2ccc(C)c(C)c2)cc1C ZINC000002156598 292027968 /nfs/dbraw/zinc/02/79/68/292027968.db2.gz TWERZOKGMSNCFV-UHFFFAOYSA-N 2 0 270.420 2.976 50 0 CFAARP C(CC1CC[NH+](C[C@@H]2CCCO2)CC1)C[NH+]1CCCC1 ZINC000095433975 397591842 /nfs/dbraw/zinc/59/18/42/397591842.db2.gz OXIXICISVCYJHG-KRWDZBQOSA-N 2 0 280.456 2.753 50 0 CFAARP c1cc(N2CCC(C[NH+]3CCCCC3)CC2)cc[nH+]1 ZINC000077458424 296604632 /nfs/dbraw/zinc/60/46/32/296604632.db2.gz HKEYTJALMVHTNE-UHFFFAOYSA-N 2 0 259.397 2.784 50 0 CFAARP Cc1ccc(C)[n+](CCCC[n+]2cc(C)ccc2C)c1 ZINC000002156589 169777473 /nfs/dbraw/zinc/77/74/73/169777473.db2.gz NJUZSFLBYOOVRL-UHFFFAOYSA-N 2 0 270.420 2.976 50 0 CFAARP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000248869196 287219728 /nfs/dbraw/zinc/21/97/28/287219728.db2.gz ZJROJJVTXSZWPC-UMVBOHGHSA-N 2 0 250.430 2.885 50 0 CFAARP Brc1csc(C[NH2+]CC2CC[NH2+]CC2)c1 ZINC000040720697 174385594 /nfs/dbraw/zinc/38/55/94/174385594.db2.gz WKOAZBJFBSUCEA-UHFFFAOYSA-N 2 0 289.242 2.600 50 0 CFAARP Fc1cccc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c1F ZINC000071681291 176245319 /nfs/dbraw/zinc/24/53/19/176245319.db2.gz XJPNJXQSIAZYOR-CYBMUJFWSA-N 2 0 280.362 2.786 50 0 CFAARP Clc1ccc(OC2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000072152698 176327490 /nfs/dbraw/zinc/32/74/90/176327490.db2.gz YEIPBNXKHAHORT-CYBMUJFWSA-N 2 0 294.826 2.793 50 0 CFAARP Fc1ccc(CC2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000072154515 176328154 /nfs/dbraw/zinc/32/81/54/176328154.db2.gz OXQQHVNXRBRISI-MRXNPFEDSA-N 2 0 276.399 2.690 50 0 CFAARP c1ccc(CCCC[N@H+]2[C@@H]3CC[C@H]2[C@H]2C[NH2+]C[C@H]23)cc1 ZINC000534675289 328356025 /nfs/dbraw/zinc/35/60/25/328356025.db2.gz CJNPKWAUXLSRPG-USTZCAOPSA-N 2 0 270.420 2.692 50 0 CFAARP COc1ccccc1C[C@@H](C)[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000002498203 618172575 /nfs/dbraw/zinc/17/25/75/618172575.db2.gz XTNDQECBOQUYKJ-GDBMZVCRSA-N 2 0 276.424 2.700 50 0 CFAARP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1cccc2c1OCO2 ZINC000888098288 619132136 /nfs/dbraw/zinc/13/21/36/619132136.db2.gz FPAVLANJIOMSLN-CYBMUJFWSA-N 2 0 290.407 2.798 50 0 CFAARP COc1ccccc1/C=C/C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000067947911 624967199 /nfs/dbraw/zinc/96/71/99/624967199.db2.gz JDDFLVFFTPYFNQ-GQCTYLIASA-N 2 0 286.419 2.784 50 0 CFAARP Clc1ccccc1OCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000245281184 348251632 /nfs/dbraw/zinc/25/16/32/348251632.db2.gz ABTYTCCTLAHUKK-KGLIPLIRSA-N 2 0 294.826 2.935 50 0 CFAARP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCCCCO)C1 ZINC000106853299 186141981 /nfs/dbraw/zinc/14/19/81/186141981.db2.gz OFYHBCULHPANFM-IRXDYDNUSA-N 2 0 282.472 2.735 50 0 CFAARP CCOc1ccc(C[NH2+]CC2CC[NH2+]CC2)cc1Cl ZINC000010435482 371907725 /nfs/dbraw/zinc/90/77/25/371907725.db2.gz WZGYCILRCQGIIK-UHFFFAOYSA-N 2 0 282.815 2.828 50 0 CFAARP CCN1CCC[C@@H]([NH2+]CC2CC[NH+](C3CCCC3)CC2)C1 ZINC000065381895 373861092 /nfs/dbraw/zinc/86/10/92/373861092.db2.gz WCOBHBJVUXGATQ-QGZVFWFLSA-N 2 0 293.499 2.715 50 0 CFAARP C/C(=C\c1ccco1)CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000067674964 373989873 /nfs/dbraw/zinc/98/98/73/373989873.db2.gz BXOYCRAQIMQUTH-HFQYIWAZSA-N 2 0 260.381 2.758 50 0 CFAARP Cc1c[nH+]ccc1NCC[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000067713640 373994004 /nfs/dbraw/zinc/99/40/04/373994004.db2.gz MFYJWHIZRXXQDA-UHFFFAOYSA-N 2 0 290.455 2.512 50 0 CFAARP C[C@@H](O)C[NH+]1CCC(C[NH2+]Cc2cccc(Cl)c2)CC1 ZINC000069436535 374063303 /nfs/dbraw/zinc/06/33/03/374063303.db2.gz IFRBFMJSRWMSHZ-CYBMUJFWSA-N 2 0 296.842 2.522 50 0 CFAARP c1ccc(CC[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000071776405 374222929 /nfs/dbraw/zinc/22/29/29/374222929.db2.gz PWIGMDODIDRUBJ-QGZVFWFLSA-N 2 0 258.409 2.551 50 0 CFAARP CCc1oc2ccccc2c1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000347102616 380940137 /nfs/dbraw/zinc/94/01/37/380940137.db2.gz MQMBROOVKUVJHF-GFCCVEGCSA-N 2 0 258.365 2.776 50 0 CFAARP Cc1nccn1C[C@H]1CCCN1c1nc2ccccc2[nH]1 ZINC000225597169 382818930 /nfs/dbraw/zinc/81/89/30/382818930.db2.gz YYRQMOOKWCSNJS-CYBMUJFWSA-N 2 0 281.363 2.737 50 0 CFAARP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCN(C)[C@H](C)C2)C12CCCC2 ZINC000241969512 382985056 /nfs/dbraw/zinc/98/50/56/382985056.db2.gz UWXAJPDRJCFLFO-FXUDXRNXSA-N 2 0 280.456 2.797 50 0 CFAARP Cc1csc(C[N@@H+]2CCCC3(CC[NH2+]CC3)CC2)n1 ZINC000244899755 382995470 /nfs/dbraw/zinc/99/54/70/382995470.db2.gz ZPNZJWYICZQQEJ-UHFFFAOYSA-N 2 0 279.453 2.807 50 0 CFAARP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](CC)C[C@@H]2C)C12CCC2 ZINC000247950020 383202335 /nfs/dbraw/zinc/20/23/35/383202335.db2.gz DXSRRUVTCJPAEB-YHUYYLMFSA-N 2 0 280.456 2.654 50 0 CFAARP Clc1ccc(N2CCC([N@@H+]3CCC[NH2+]CC3)CC2)cc1 ZINC000426404206 383398818 /nfs/dbraw/zinc/39/88/18/383398818.db2.gz HRKDZPKGTCBIJO-UHFFFAOYSA-N 2 0 293.842 2.604 50 0 CFAARP COc1cccc(F)c1C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC000426531783 383404157 /nfs/dbraw/zinc/40/41/57/383404157.db2.gz PJHLXKZDSWXBEV-UHFFFAOYSA-N 2 0 292.398 2.800 50 0 CFAARP c1cc(N2CCC[N@@H+](C3CCCCC3)CC2)cc[nH+]1 ZINC000077470994 177272630 /nfs/dbraw/zinc/27/26/30/177272630.db2.gz SWXWVQHOISKGST-UHFFFAOYSA-N 2 0 259.397 2.926 50 0 CFAARP CC[C@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000095967808 288077841 /nfs/dbraw/zinc/07/78/41/288077841.db2.gz VANCZKSBRLNGBW-PBHICJAKSA-N 2 0 293.430 2.502 50 0 CFAARP c1ccc(OCCCC[N@H+]2[C@@H]3CC[C@H]2[C@H]2C[NH2+]C[C@H]23)cc1 ZINC000534636963 328334100 /nfs/dbraw/zinc/33/41/00/328334100.db2.gz PADUVQISQAYGEG-USTZCAOPSA-N 2 0 286.419 2.528 50 0 CFAARP CCC[NH+]1CCC([NH2+]CCc2cccc(F)c2)CC1 ZINC000000757691 528202685 /nfs/dbraw/zinc/20/26/85/528202685.db2.gz YODGLLGBMCAJGA-UHFFFAOYSA-N 2 0 264.388 2.832 50 0 CFAARP CC1(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC3)C2)CCOCC1 ZINC000822307007 781897472 /nfs/dbraw/zinc/89/74/72/781897472.db2.gz HQKNRJAXZCIUPG-INIZCTEOSA-N 2 0 280.456 2.611 50 0 CFAARP CCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C12CCC2 ZINC000095968523 185047767 /nfs/dbraw/zinc/04/77/67/185047767.db2.gz DOMCDIBRVQOPJM-SJORKVTESA-N 2 0 292.467 2.798 50 0 CFAARP CC1(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)CCOCC1 ZINC000097102379 347707142 /nfs/dbraw/zinc/70/71/42/347707142.db2.gz KVJVJUBQCCHYHN-UHFFFAOYSA-N 2 0 268.445 2.702 50 0 CFAARP CC(C)[NH+]1CCC([NH2+][C@@H](C)C[C@H](O)c2ccco2)CC1 ZINC000097238263 347708507 /nfs/dbraw/zinc/70/85/07/347708507.db2.gz WJNLRSDGVACJSB-ZFWWWQNUSA-N 2 0 280.412 2.554 50 0 CFAARP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCC[C@H]3OCC[C@@H]32)CC1 ZINC000089643067 179837282 /nfs/dbraw/zinc/83/72/82/179837282.db2.gz MOINEFTZFLKOLB-BZUAXINKSA-N 2 0 280.456 2.797 50 0 CFAARP Cc1ccc2[nH]c(C[NH2+]CCC[NH+]3CCCC3)cc(=O)c2c1 ZINC000092045650 180310881 /nfs/dbraw/zinc/31/08/81/180310881.db2.gz NBWGMPNZRQQDMN-UHFFFAOYSA-N 2 0 299.418 2.824 50 0 CFAARP CCc1nccn1C[C@@H](C)N1CC(Oc2ccc(C)cc2)C1 ZINC000670438598 540995422 /nfs/dbraw/zinc/99/54/22/540995422.db2.gz ZZJGSWQSCNUFIQ-OAHLLOKOSA-N 2 0 299.418 2.906 50 0 CFAARP CC[NH+]1CCC([NH2+]CCc2ccccc2Cl)CC1 ZINC000000227296 371562433 /nfs/dbraw/zinc/56/24/33/371562433.db2.gz REGCFOMHORGNPE-UHFFFAOYSA-N 2 0 266.816 2.956 50 0 CFAARP C[NH+](C)CC(C)(C)C[NH2+][C@H]1CCc2ccccc2C1 ZINC000012381812 371957195 /nfs/dbraw/zinc/95/71/95/371957195.db2.gz XMFGCDSMXOCPDW-INIZCTEOSA-N 2 0 260.425 2.721 50 0 CFAARP CC(C)[NH+]1CCC([NH2+]Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000032740398 372457379 /nfs/dbraw/zinc/45/73/79/372457379.db2.gz IBNXUPVVDGCGTB-UHFFFAOYSA-N 2 0 298.434 2.835 50 0 CFAARP C[N@H+](CCCOc1ccccc1C[NH3+])C1CCCC1 ZINC000037083942 372646658 /nfs/dbraw/zinc/64/66/58/372646658.db2.gz CMKHUSMKCLWWCY-UHFFFAOYSA-N 2 0 262.397 2.789 50 0 CFAARP CCOc1cc(C[NH2+]C[C@@H]2CC[N@H+](CC)C2)ccc1OC ZINC000037644238 372680803 /nfs/dbraw/zinc/68/08/03/372680803.db2.gz LKLLGNPVOCCTPT-HNNXBMFYSA-N 2 0 292.423 2.525 50 0 CFAARP C[NH+](C)Cc1ccc(Oc2ccc(C[NH3+])cc2)cc1 ZINC000067605832 373987645 /nfs/dbraw/zinc/98/76/45/373987645.db2.gz ZXNSWLSGEDNFEG-UHFFFAOYSA-N 2 0 256.349 2.999 50 0 CFAARP Oc1cccc2ccc(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)nc12 ZINC000067650430 373987941 /nfs/dbraw/zinc/98/79/41/373987941.db2.gz LFTQQEYHHOJYEW-UHFFFAOYSA-N 2 0 297.402 2.516 50 0 CFAARP CCc1ccc(CC[N@@H+]2CC[C@H]3C[NH+](C)CC[C@@H]32)cc1 ZINC000095466740 375458677 /nfs/dbraw/zinc/45/86/77/375458677.db2.gz BOBPORJLRLGBGL-ROUUACIJSA-N 2 0 272.436 2.818 50 0 CFAARP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)C12CCC2 ZINC000095968526 375464755 /nfs/dbraw/zinc/46/47/55/375464755.db2.gz AWTPMGAGJUTLCY-ARKGTOAJSA-N 2 0 280.456 2.652 50 0 CFAARP [NH3+]CC1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000162308606 378906098 /nfs/dbraw/zinc/90/60/98/378906098.db2.gz AWMUVRHGLGVLSK-UHFFFAOYSA-N 2 0 256.752 2.650 50 0 CFAARP Clc1cnccc1N1CCN(Cc2ccco2)CC1 ZINC000176753314 380270812 /nfs/dbraw/zinc/27/08/12/380270812.db2.gz WVQWAIHXBPLMAG-UHFFFAOYSA-N 2 0 277.755 2.650 50 0 CFAARP C/C=C/C[C@@H](CO)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000186493424 381925928 /nfs/dbraw/zinc/92/59/28/381925928.db2.gz JPPGUHAJHPWQKD-KZSQQDEKSA-N 2 0 280.456 2.700 50 0 CFAARP CC[N@H+](Cc1ccncc1)Cc1ccc2c(c1)C[NH2+]CCO2 ZINC000299791956 382049022 /nfs/dbraw/zinc/04/90/22/382049022.db2.gz DHXQVEKZFBCZBG-UHFFFAOYSA-N 2 0 297.402 2.586 50 0 CFAARP Cc1cc(Cl)ccc1C[NH+]1CCC(C[NH3+])CC1 ZINC000219479759 382794055 /nfs/dbraw/zinc/79/40/55/382794055.db2.gz YSYIPKIEHZZSAJ-UHFFFAOYSA-N 2 0 252.789 2.819 50 0 CFAARP CC[C@H]1C=CC[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000215704909 382780490 /nfs/dbraw/zinc/78/04/90/382780490.db2.gz XXCIXSTVHSDRRG-INIZCTEOSA-N 2 0 274.408 2.777 50 0 CFAARP [NH3+]C[C@@H]1CCC[N@@H+](C2CCc3ccccc3CC2)C1 ZINC000426401868 383398179 /nfs/dbraw/zinc/39/81/79/383398179.db2.gz MCCHRWKZGQHPML-AWEZNQCLSA-N 2 0 258.409 2.605 50 0 CFAARP c1ccc(N2CC[C@@H]([N@@H+]3CCCC4(CC[NH2+]CC4)C3)C2)cc1 ZINC000426473366 383401648 /nfs/dbraw/zinc/40/16/48/383401648.db2.gz DMNMQCLATUTFSL-GOSISDBHSA-N 2 0 299.462 2.731 50 0 CFAARP CC[C@H](C)C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000088504633 393762804 /nfs/dbraw/zinc/76/28/04/393762804.db2.gz QJZLPMYSRGDOBI-ARFHVFGLSA-N 2 0 282.472 2.854 50 0 CFAARP CCOc1ccc(C[NH2+]CC2CC[NH2+]CC2)cc1OCC ZINC000010434686 170406343 /nfs/dbraw/zinc/40/63/43/170406343.db2.gz NOEQBVKWDKAHIW-UHFFFAOYSA-N 2 0 292.423 2.573 50 0 CFAARP C[C@@H](C1CC[NH+](Cc2ccsc2)CC1)[NH+]1CCOCC1 ZINC000072410882 176398554 /nfs/dbraw/zinc/39/85/54/176398554.db2.gz BGWODXCSHSBXBK-AWEZNQCLSA-N 2 0 294.464 2.681 50 0 CFAARP C[C@H](C1CC[NH+](Cc2ccsc2)CC1)[NH+]1CCOCC1 ZINC000072410883 176398613 /nfs/dbraw/zinc/39/86/13/176398613.db2.gz BGWODXCSHSBXBK-CQSZACIVSA-N 2 0 294.464 2.681 50 0 CFAARP c1ccc(CCC2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000077378750 177260546 /nfs/dbraw/zinc/26/05/46/177260546.db2.gz ZYPRVKCWFPGFBH-SFHVURJKSA-N 2 0 272.436 2.941 50 0 CFAARP CC[NH+]1CCC(N2CCC[C@H](C[NH+]3CCCCC3)C2)CC1 ZINC000032561770 279258690 /nfs/dbraw/zinc/25/86/90/279258690.db2.gz LBGIJMJUEKQTTQ-QGZVFWFLSA-N 2 0 293.499 2.669 50 0 CFAARP CC(C)[NH+]1CCC(C[N@@H+]2CC[C@H](O)CC(C)(C)C2)CC1 ZINC000828630074 782098352 /nfs/dbraw/zinc/09/83/52/782098352.db2.gz TZAMVGUAAMYIEA-INIZCTEOSA-N 2 0 282.472 2.590 50 0 CFAARP Cc1cc(C[C@@H](C)[NH2+]C2CCC3(CC[NH2+]CC3)CC2)[nH]n1 ZINC000067982564 524827601 /nfs/dbraw/zinc/82/76/01/524827601.db2.gz WGCMKLKUMVAVMA-CYBMUJFWSA-N 2 0 290.455 2.551 50 0 CFAARP [NH3+][C@H]1CCN(Cc2ccc(-c3ccccc3)s2)C1 ZINC000216044151 570305021 /nfs/dbraw/zinc/30/50/21/570305021.db2.gz NLOZKOKGQJHPAA-ZDUSSCGKSA-N 2 0 258.390 2.948 50 0 CFAARP CCC[NH+]1CCC([NH2+]CCc2ccc(OC)cc2)CC1 ZINC000096876697 185119106 /nfs/dbraw/zinc/11/91/06/185119106.db2.gz KYQRPXTXRILIHQ-UHFFFAOYSA-N 2 0 276.424 2.702 50 0 CFAARP c1ccc(CCC2CC[NH+](C[C@H]3[C@@H]4C[NH2+]C[C@H]34)CC2)cc1 ZINC000102163425 185771090 /nfs/dbraw/zinc/77/10/90/185771090.db2.gz HJQPZOZTXACNFS-BWTSREIZSA-N 2 0 284.447 2.797 50 0 CFAARP CC(C)C[N@@H+]1CCC[C@H]1CNC1CC[NH+](C(C)C)CC1 ZINC000195557909 348146063 /nfs/dbraw/zinc/14/60/63/348146063.db2.gz BMZMWDWDSCTIKO-KRWDZBQOSA-N 2 0 281.488 2.569 50 0 CFAARP CC(C)c1nc(CC[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)no1 ZINC000584886232 348727559 /nfs/dbraw/zinc/72/75/59/348727559.db2.gz KBXDHJGPHCHYPD-UHFFFAOYSA-N 2 0 294.443 2.634 50 0 CFAARP CC1(C)CC(OC(=O)CC[NH+]2CCCCC2)CC(C)(C)[NH2+]1 ZINC000000135702 371540511 /nfs/dbraw/zinc/54/05/11/371540511.db2.gz ARULKMQCJDYQEW-UHFFFAOYSA-N 2 0 296.455 2.715 50 0 CFAARP Cn1c2ccccc2[n+](C)c1-c1cc[n+](C)c2ccccc12 ZINC000000246425 371568350 /nfs/dbraw/zinc/56/83/50/371568350.db2.gz BGIHWDWKOXXMFH-UHFFFAOYSA-N 2 0 289.382 2.648 50 0 CFAARP Cc1cc(CSC(N)=[NH2+])c(CSC(N)=[NH2+])cc1C ZINC000004376774 371853128 /nfs/dbraw/zinc/85/31/28/371853128.db2.gz MRKOGRHCQDFSMR-UHFFFAOYSA-N 2 0 282.438 2.557 50 0 CFAARP Cc1noc(C)c1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000047971450 373134606 /nfs/dbraw/zinc/13/46/06/373134606.db2.gz BDBFYXDHDNBJKI-UHFFFAOYSA-N 2 0 277.412 2.599 50 0 CFAARP C[N@@H+](Cc1cnc[nH]1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000072478762 374256231 /nfs/dbraw/zinc/25/62/31/374256231.db2.gz GHEBTPJFPNDNLV-UHFFFAOYSA-N 2 0 298.434 2.754 50 0 CFAARP Cc1nc(C)c([C@H](C)[N@H+](C)CC2CC[NH2+]CC2)s1 ZINC000094010671 375335257 /nfs/dbraw/zinc/33/52/57/375335257.db2.gz XANKFCVWAYKDPR-NSHDSACASA-N 2 0 267.442 2.752 50 0 CFAARP COc1cc(C[N@H+](C)C[C@H]2CCC[NH2+]C2)ccc1SC ZINC000097228997 375542384 /nfs/dbraw/zinc/54/23/84/375542384.db2.gz FRBWSYJJPFDJAU-AWEZNQCLSA-N 2 0 294.464 2.849 50 0 CFAARP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1 ZINC000097095601 375516718 /nfs/dbraw/zinc/51/67/18/375516718.db2.gz RMTOIAKLZVQARC-CZUORRHYSA-N 2 0 284.407 2.554 50 0 CFAARP CCC(CC)[NH+]1CCC(N2CCC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000097102802 375518547 /nfs/dbraw/zinc/51/85/47/375518547.db2.gz RSSYKOUHCFKMGS-HUUCEWRRSA-N 2 0 281.488 2.699 50 0 CFAARP CCC(CC)[NH+]1CCC(N2CCC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000097102801 375518715 /nfs/dbraw/zinc/51/87/15/375518715.db2.gz RSSYKOUHCFKMGS-CABCVRRESA-N 2 0 281.488 2.699 50 0 CFAARP [NH3+]C1CC[NH+](Cc2ccccc2-c2ccco2)CC1 ZINC000097532813 375568823 /nfs/dbraw/zinc/56/88/23/375568823.db2.gz SUXGOLBLQURMPM-UHFFFAOYSA-N 2 0 256.349 2.870 50 0 CFAARP Cc1c[nH+]c(CC2CC[NH2+]CC2)n1Cc1ccc(F)cc1 ZINC000169676622 379107765 /nfs/dbraw/zinc/10/77/65/379107765.db2.gz UEXGEWHKBKRPAY-UHFFFAOYSA-N 2 0 287.382 2.921 50 0 CFAARP CC[N@@H+]1CC[C@H](C[NH+](C)Cc2cccc3cc[nH]c32)C1 ZINC000215893837 382781316 /nfs/dbraw/zinc/78/13/16/382781316.db2.gz QAOAHNSIJLNRCB-CQSZACIVSA-N 2 0 271.408 2.942 50 0 CFAARP CCc1nccn1CCN(C)Cc1nc2c(cccc2C)[nH]1 ZINC000244874717 382994832 /nfs/dbraw/zinc/99/48/32/382994832.db2.gz XGBZOPOUPGUHET-UHFFFAOYSA-N 2 0 297.406 2.762 50 0 CFAARP CC(C)=CCN1CCC([NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000095968976 393814867 /nfs/dbraw/zinc/81/48/67/393814867.db2.gz OHKPOXLHGKWAGQ-QZTJIDSGSA-N 2 0 293.499 2.879 50 0 CFAARP CCN(C)c1ccccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252510635 393936865 /nfs/dbraw/zinc/93/68/65/393936865.db2.gz AZAGKHNKHOSHAZ-SJORKVTESA-N 2 0 287.451 2.859 50 0 CFAARP C(CC1CC[NH+](C[C@H]2CCCO2)CC1)C[NH+]1CCCC1 ZINC000095433976 397591865 /nfs/dbraw/zinc/59/18/65/397591865.db2.gz OXIXICISVCYJHG-QGZVFWFLSA-N 2 0 280.456 2.753 50 0 CFAARP Clc1ccc(/C=C\C[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000103377387 397595064 /nfs/dbraw/zinc/59/50/64/397595064.db2.gz JBTHCCPSXGBYQZ-UPHRSURJSA-N 2 0 264.800 2.942 50 0 CFAARP CC(C)[NH+](CCNCC[NH+](C(C)C)C(C)C)C(C)C ZINC000044076159 175140584 /nfs/dbraw/zinc/14/05/84/175140584.db2.gz DVVORTHDQVBZOO-UHFFFAOYSA-N 2 0 271.493 2.814 50 0 CFAARP Clc1ccc(OC2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000072152699 176327279 /nfs/dbraw/zinc/32/72/79/176327279.db2.gz YEIPBNXKHAHORT-ZDUSSCGKSA-N 2 0 294.826 2.793 50 0 CFAARP [NH3+]Cc1ccc(C[NH2+]C2CCC3(CC[NH2+]CC3)CC2)cc1 ZINC000067956379 295278263 /nfs/dbraw/zinc/27/82/63/295278263.db2.gz FDWXBCSUMIWKCD-UHFFFAOYSA-N 3 0 287.451 2.547 50 0 CFAARP CC(C)CSC[C@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000096477145 528227191 /nfs/dbraw/zinc/22/71/91/528227191.db2.gz FQJVVYHXNMGWJV-ZDUSSCGKSA-N 2 0 258.475 2.696 50 0 CFAARP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1cccc2c1OCO2 ZINC000888098292 619131761 /nfs/dbraw/zinc/13/17/61/619131761.db2.gz FPAVLANJIOMSLN-ZDUSSCGKSA-N 2 0 290.407 2.798 50 0 CFAARP Cc1cccc([C@@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)c1 ZINC000095967719 185046182 /nfs/dbraw/zinc/04/61/82/185046182.db2.gz WPRLLMAFGUTIEJ-QGZVFWFLSA-N 2 0 289.467 2.673 50 0 CFAARP c1ccc(CCC[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC000082729022 178245713 /nfs/dbraw/zinc/24/57/13/178245713.db2.gz NMHGTASCHLGLDR-SJORKVTESA-N 2 0 258.409 2.693 50 0 CFAARP COc1cccc(CCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000245289720 348251690 /nfs/dbraw/zinc/25/16/90/348251690.db2.gz DQHPUMSWRXQKSJ-SJORKVTESA-N 2 0 288.435 2.844 50 0 CFAARP Cc1c[nH+]c(C2CC2)n1[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC000409421095 348600726 /nfs/dbraw/zinc/60/07/26/348600726.db2.gz HIYRTICAPBLHOZ-INIZCTEOSA-N 2 0 282.391 2.911 50 0 CFAARP Clc1ccccc1OCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000090772481 180037631 /nfs/dbraw/zinc/03/76/31/180037631.db2.gz ABTYTCCTLAHUKK-UONOGXRCSA-N 2 0 294.826 2.935 50 0 CFAARP COc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000013424572 372026037 /nfs/dbraw/zinc/02/60/37/372026037.db2.gz GDGJJJMFINQFHI-HEHGZKQESA-N 2 0 262.397 2.514 50 0 CFAARP C[C@@H]1C[C@](CC[NH3+])(Cc2ccccc2)[C@@H](C)C[N@@H+]1C ZINC000013510387 372030578 /nfs/dbraw/zinc/03/05/78/372030578.db2.gz RYJLDVIZDHEQLN-ZMSDIMECSA-N 2 0 260.425 2.924 50 0 CFAARP CCCn1cc(C[NH2+]CCC[NH2+]C)c2ccccc21 ZINC000057353483 373589986 /nfs/dbraw/zinc/58/99/86/373589986.db2.gz DOLPUFSOQQINSZ-UHFFFAOYSA-N 2 0 259.397 2.750 50 0 CFAARP Cc1n[nH]c(C)c1C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000065548330 373887821 /nfs/dbraw/zinc/88/78/21/373887821.db2.gz XPSVPNJUGQKAQP-UHFFFAOYSA-N 2 0 298.434 2.912 50 0 CFAARP CCC[C@@H](CNC1CC(C)(C)[NH2+]C(C)(C)C1)[NH+](C)C ZINC000067713272 373994354 /nfs/dbraw/zinc/99/43/54/373994354.db2.gz CWXCBIFNMBGORV-AWEZNQCLSA-N 2 0 269.477 2.616 50 0 CFAARP c1ccc(C[N@@H+]2CCC[NH2+]CCCSCCC2)cc1 ZINC000068604634 374033819 /nfs/dbraw/zinc/03/38/19/374033819.db2.gz CIWYKIVUODJLCF-UHFFFAOYSA-N 2 0 278.465 2.995 50 0 CFAARP CS[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000095968629 375464503 /nfs/dbraw/zinc/46/45/03/375464503.db2.gz CNTSAFSVTBXPHM-HUUCEWRRSA-N 2 0 270.486 2.981 50 0 CFAARP C[NH+]1CCC2(CC[N@H+](Cc3ccc(F)cc3F)C2)CC1 ZINC000097288748 375548722 /nfs/dbraw/zinc/54/87/22/375548722.db2.gz ANBVXLCDTSKUTA-UHFFFAOYSA-N 2 0 280.362 2.883 50 0 CFAARP CC[NH+](CC)CCC[C@@]1(C[NH3+])OCCc2ccccc21 ZINC000000207115 284606921 /nfs/dbraw/zinc/60/69/21/284606921.db2.gz VXKMWKHCSLNYBI-KRWDZBQOSA-N 2 0 276.424 2.535 50 0 CFAARP c1cc2c(cc1C[NH+]1CCCCCC1)C[NH2+]CCO2 ZINC000169676639 379107455 /nfs/dbraw/zinc/10/74/55/379107455.db2.gz XHIHECKJZOJDEE-UHFFFAOYSA-N 2 0 260.381 2.545 50 0 CFAARP CC[C@H](C)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000170637853 379132482 /nfs/dbraw/zinc/13/24/82/379132482.db2.gz TUSXVMKYEJGDTC-SOUVJXGZSA-N 2 0 268.445 2.606 50 0 CFAARP C[N@@H+]1CCC[C@H]1CCOc1cccc(C[NH2+]C2CC2)c1 ZINC000299795599 382049957 /nfs/dbraw/zinc/04/99/57/382049957.db2.gz LLIHFGDVKDWWIN-INIZCTEOSA-N 2 0 274.408 2.802 50 0 CFAARP CO[C@H]1CC[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000188806674 382480813 /nfs/dbraw/zinc/48/08/13/382480813.db2.gz WVLNUFGPFOQVIA-RDJZCZTQSA-N 2 0 280.456 2.941 50 0 CFAARP Cc1nccn1CC[N@@H+](C)Cc1ccc(-n2ccnc2)cc1 ZINC000216499041 382783417 /nfs/dbraw/zinc/78/34/17/382783417.db2.gz RGOOOPNJHTWIPB-UHFFFAOYSA-N 3 0 295.390 2.509 50 0 CFAARP CC1=CC[N@H+](Cc2cc(C[NH+](C)C)cs2)CC1 ZINC000216413213 382783671 /nfs/dbraw/zinc/78/36/71/382783671.db2.gz XQIQQHGVWQIMFS-UHFFFAOYSA-N 2 0 250.411 2.962 50 0 CFAARP Cc1ccc2ncccc2c1C[N@@H+](C)CCC[NH+](C)C ZINC000219282647 382793397 /nfs/dbraw/zinc/79/33/97/382793397.db2.gz GCVIOZNEDRBVMF-UHFFFAOYSA-N 2 0 271.408 2.927 50 0 CFAARP CCOCCC[N@@H+]1CC[C@H](Nc2ccccn2)[C@@H](C)C1 ZINC000229813500 382853340 /nfs/dbraw/zinc/85/33/40/382853340.db2.gz MZIUZDABHUDNKE-GJZGRUSLSA-N 2 0 277.412 2.631 50 0 CFAARP CCS[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](CC)C[C@H]2C)C1 ZINC000241588373 382983707 /nfs/dbraw/zinc/98/37/07/382983707.db2.gz PCPAWUNGKCLTJV-LXTVHRRPSA-N 2 0 270.486 2.981 50 0 CFAARP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)C12CCC2 ZINC000247136721 383146154 /nfs/dbraw/zinc/14/61/54/383146154.db2.gz AWTPMGAGJUTLCY-DGXTUMSLSA-N 2 0 280.456 2.652 50 0 CFAARP Cc1cc(C)cc(N2CCC([N@@H+]3CC[C@H]4C[NH2+]C[C@H]43)CC2)c1 ZINC000426544635 383405362 /nfs/dbraw/zinc/40/53/62/383405362.db2.gz CDXSGOGGILBGFT-QFBILLFUSA-N 2 0 299.462 2.566 50 0 CFAARP C[NH+](C)C1CCC([NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)CC1 ZINC000252549110 383420156 /nfs/dbraw/zinc/42/01/56/383420156.db2.gz QVGKBBQQCDHIST-IRKLFDGPSA-N 2 0 292.467 2.797 50 0 CFAARP COC(C)(C)C[C@H](C)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000824250074 781988860 /nfs/dbraw/zinc/98/88/60/781988860.db2.gz GDAQNJZZSPDFPR-AWEZNQCLSA-N 2 0 282.472 2.902 50 0 CFAARP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1ccccc1F ZINC000036907738 393525176 /nfs/dbraw/zinc/52/51/76/393525176.db2.gz WFPZAPNLWPQIOM-DVOMOZLQSA-N 2 0 264.388 2.687 50 0 CFAARP CC[C@H](C)C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000088504631 393762310 /nfs/dbraw/zinc/76/23/10/393762310.db2.gz QJZLPMYSRGDOBI-HRCADAONSA-N 2 0 282.472 2.854 50 0 CFAARP FC(F)(F)CC[N@@H+]1CCCC2(CC[NH2+]CC2)CC1 ZINC000825679696 782014269 /nfs/dbraw/zinc/01/42/69/782014269.db2.gz HLAWWCBZCAPUBT-UHFFFAOYSA-N 2 0 264.335 2.795 50 0 CFAARP C[NH2+]C[C@H]1CCC[N@H+](Cc2cccc3cccnc32)C1 ZINC000040601296 174351517 /nfs/dbraw/zinc/35/15/17/174351517.db2.gz PORYXGKEHZSMDO-CQSZACIVSA-N 2 0 269.392 2.666 50 0 CFAARP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)CC1 ZINC000089643069 277151775 /nfs/dbraw/zinc/15/17/75/277151775.db2.gz MOINEFTZFLKOLB-OAGGEKHMSA-N 2 0 280.456 2.797 50 0 CFAARP COC[C@@H](C)[NH2+]CCC1CC[NH+](C2CCCC2)CC1 ZINC000065432476 277244941 /nfs/dbraw/zinc/24/49/41/277244941.db2.gz CKOJYJHMXKFYNM-CQSZACIVSA-N 2 0 268.445 2.656 50 0 CFAARP Cc1ccccc1N1CCC[N@H+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000244735121 281346839 /nfs/dbraw/zinc/34/68/39/281346839.db2.gz NTEBIMNUANLZEA-KRWDZBQOSA-N 2 0 287.451 2.507 50 0 CFAARP CC1(C)CC([NH2+]Cc2cccc3c[nH]nc32)CC(C)(C)[NH2+]1 ZINC000097102377 323619115 /nfs/dbraw/zinc/61/91/15/323619115.db2.gz GLJBGPHHTHDQDH-UHFFFAOYSA-N 2 0 286.423 2.962 50 0 CFAARP CCC[NH+]1CCC([NH2+]C2Cc3ccccc3C2)CC1 ZINC000097971394 528202279 /nfs/dbraw/zinc/20/22/79/528202279.db2.gz CUJBSNUPQOWYPW-UHFFFAOYSA-N 2 0 258.409 2.618 50 0 CFAARP CC[C@H](Cn1ccnc1)[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC000952970834 615751473 /nfs/dbraw/zinc/75/14/73/615751473.db2.gz BGCSXOKDAGURKO-OAHLLOKOSA-N 2 0 290.455 2.564 50 0 CFAARP COc1ccccc1C[C@H](C)[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000004021838 619391413 /nfs/dbraw/zinc/39/14/13/619391413.db2.gz XTNDQECBOQUYKJ-HOCLYGCPSA-N 2 0 276.424 2.700 50 0 CFAARP Cc1ccc(-c2ccccc2C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)o1 ZINC000216025603 645987249 /nfs/dbraw/zinc/98/72/49/645987249.db2.gz LXKSKCYEUICUFC-IYBDPMFKSA-N 2 0 282.387 2.906 50 0 CFAARP C[NH+]1CCC([C@@H](C[NH3+])c2ccc(Cl)cc2)CC1 ZINC000082729062 178246001 /nfs/dbraw/zinc/24/60/01/178246001.db2.gz OFGCMWHQOOMDPF-AWEZNQCLSA-N 2 0 252.789 2.724 50 0 CFAARP CC(C)[NH+]1CCC([NH2+][C@H](C)C[C@@H](O)c2ccco2)CC1 ZINC000097238268 347708772 /nfs/dbraw/zinc/70/87/72/347708772.db2.gz WJNLRSDGVACJSB-UKRRQHHQSA-N 2 0 280.412 2.554 50 0 CFAARP Cn1cncc1CN1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000670460101 541002619 /nfs/dbraw/zinc/00/26/19/541002619.db2.gz HSZHMTPVJUPMHQ-UHFFFAOYSA-N 2 0 298.434 2.517 50 0 CFAARP COc1ccc(CC[C@@H](C)[NH2+]CCC[NH+](C)C)cc1 ZINC000012383435 371959243 /nfs/dbraw/zinc/95/92/43/371959243.db2.gz HIRPXTQYHKMJFL-CQSZACIVSA-N 2 0 264.413 2.558 50 0 CFAARP COc1ccc([C@]2(CC[NH3+])C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000013118893 372015201 /nfs/dbraw/zinc/01/52/01/372015201.db2.gz QCPLMTXDUPTFBC-JJRVBVJISA-N 2 0 276.424 2.642 50 0 CFAARP [NH3+]CCCNc1c2ccccc2[nH+]c2c1CCCC2 ZINC000029047185 372373077 /nfs/dbraw/zinc/37/30/77/372373077.db2.gz LUDRRADCGGTCHH-UHFFFAOYSA-N 2 0 255.365 2.874 50 0 CFAARP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1ccccc1F ZINC000036907737 372609964 /nfs/dbraw/zinc/60/99/64/372609964.db2.gz WFPZAPNLWPQIOM-XJKCOSOUSA-N 2 0 264.388 2.687 50 0 CFAARP CS[C@@H](C)CC[NH+]1CCN(c2cc(C)[nH+]c(C)c2)CC1 ZINC000072419751 374251681 /nfs/dbraw/zinc/25/16/81/374251681.db2.gz BBKHNRAJAWRRPQ-HNNXBMFYSA-N 2 0 293.480 2.962 50 0 CFAARP c1ccc(COC2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000072476641 374255568 /nfs/dbraw/zinc/25/55/68/374255568.db2.gz MWOBFGQYQOXYLG-QGZVFWFLSA-N 2 0 288.435 2.667 50 0 CFAARP Cc1ccccc1C[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000089689315 374938817 /nfs/dbraw/zinc/93/88/17/374938817.db2.gz QGBWPOXQNBJZAK-JKSUJKDBSA-N 2 0 272.436 3.000 50 0 CFAARP CC(C)C[NH+]1CCC([NH2+][C@H](C)c2cccc(CO)c2)CC1 ZINC000095988799 375467194 /nfs/dbraw/zinc/46/71/94/375467194.db2.gz JXSHDVAQRAFKTB-OAHLLOKOSA-N 2 0 290.451 2.950 50 0 CFAARP CCn1ccc2ccc(C[N@@H+]3CCC[C@@H]([NH3+])CC3)cc21 ZINC000097601117 375570900 /nfs/dbraw/zinc/57/09/00/375570900.db2.gz COXDYCUSSWKWDF-MRXNPFEDSA-N 2 0 271.408 2.974 50 0 CFAARP CCOc1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1F ZINC000192839120 382712858 /nfs/dbraw/zinc/71/28/58/382712858.db2.gz VABYZGQFEBVOEU-GOOCMWNKSA-N 2 0 292.398 2.939 50 0 CFAARP CCc1ccc(CN(C)CC[C@H](C)[NH+]2CCCC2)nc1 ZINC000219741912 382794441 /nfs/dbraw/zinc/79/44/41/382794441.db2.gz BKIDKRXOKYQSPE-HNNXBMFYSA-N 2 0 275.440 2.950 50 0 CFAARP C[NH+](C)C1CCC([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CC1 ZINC000225635376 382819404 /nfs/dbraw/zinc/81/94/04/382819404.db2.gz QVGKBBQQCDHIST-ZKLCHKPXSA-N 2 0 292.467 2.797 50 0 CFAARP CC(C)[C@@H](C(=O)OCC1([NH+](C)C)CCC1)[NH+]1CCCCC1 ZINC000225857093 382822896 /nfs/dbraw/zinc/82/28/96/382822896.db2.gz LOLZQKMCQYBGNA-HNNXBMFYSA-N 2 0 296.455 2.524 50 0 CFAARP Cc1cccc([C@H](C)[N@@H+]2CC[C@@H](CN3CCOCC3)C2)c1 ZINC000229838804 382853528 /nfs/dbraw/zinc/85/35/28/382853528.db2.gz MCELIRJKBGHNNR-IRXDYDNUSA-N 2 0 288.435 2.710 50 0 CFAARP CCc1ccc(CC[N@@H+]2CC[C@H]3C[NH+](C)CC[C@H]32)cc1 ZINC000230228719 382857733 /nfs/dbraw/zinc/85/77/33/382857733.db2.gz BOBPORJLRLGBGL-ZWKOTPCHSA-N 2 0 272.436 2.818 50 0 CFAARP Cc1cc(C)n(CCC[NH+](C)C[C@@H]2CC[N@@H+](C(C)C)C2)n1 ZINC000244690846 382990101 /nfs/dbraw/zinc/99/01/01/382990101.db2.gz IXZOGUHGXSGMEM-KRWDZBQOSA-N 2 0 292.471 2.552 50 0 CFAARP C[NH+]1CCC2(CC1)C[N@@H+](C1CCC1)Cc1ccccc1O2 ZINC000257183962 383491138 /nfs/dbraw/zinc/49/11/38/383491138.db2.gz IBRPWAXOQYSLDK-UHFFFAOYSA-N 2 0 286.419 2.898 50 0 CFAARP C[C@H]([NH3+])C1CC[NH+](Cc2cnc3ccccc3c2)CC1 ZINC000261596694 383524867 /nfs/dbraw/zinc/52/48/67/383524867.db2.gz MQEPPBQPLJMOHW-ZDUSSCGKSA-N 2 0 269.392 2.794 50 0 CFAARP C[N@H+](C1CC[NH+](C2CCOCC2)CC1)[C@@H]1C=CCCC1 ZINC000066497761 543107199 /nfs/dbraw/zinc/10/71/99/543107199.db2.gz WLNODZHKLGETPP-OAHLLOKOSA-N 2 0 278.440 2.670 50 0 CFAARP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](CC)C[C@@H]2C)C12CCC2 ZINC000108324364 397598100 /nfs/dbraw/zinc/59/81/00/397598100.db2.gz DXSRRUVTCJPAEB-XUWVNRHRSA-N 2 0 280.456 2.654 50 0 CFAARP CCn1cc(C[NH2+]CCC[NH+](C)C)c2ccccc21 ZINC000020968466 171282665 /nfs/dbraw/zinc/28/26/65/171282665.db2.gz FVGWCEDOUPSJIN-UHFFFAOYSA-N 2 0 259.397 2.703 50 0 CFAARP CC(C)(C)[NH+]1CCC([NH2+]C2CCC3(CC2)OCCO3)CC1 ZINC000037786284 260118120 /nfs/dbraw/zinc/11/81/20/260118120.db2.gz AAZDFOUQIVGLSC-UHFFFAOYSA-N 2 0 296.455 2.525 50 0 CFAARP CC[NH+](CC)CCC[NH2+]C[C@@H]1CCOC(C)(C)C1 ZINC000021149461 279099685 /nfs/dbraw/zinc/09/96/85/279099685.db2.gz LKMGFVZKGCFLPW-CQSZACIVSA-N 2 0 256.434 2.513 50 0 CFAARP C[NH+](C)C1CCC([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)CC1 ZINC000252549111 289066351 /nfs/dbraw/zinc/06/63/51/289066351.db2.gz QVGKBBQQCDHIST-SWHNLWLKSA-N 2 0 292.467 2.797 50 0 CFAARP CCSCC[N@@H+]1CCCC2(CC[NH2+]CC2)CC1 ZINC000534669406 328346756 /nfs/dbraw/zinc/34/67/56/328346756.db2.gz PCECEYHLKJEMQQ-UHFFFAOYSA-N 2 0 256.459 2.595 50 0 CFAARP CC[NH2+]CC1CC[NH+](Cc2cc(F)ccc2C)CC1 ZINC000157104344 519915005 /nfs/dbraw/zinc/91/50/05/519915005.db2.gz KGZMHWCZECTIBR-UHFFFAOYSA-N 2 0 264.388 2.956 50 0 CFAARP COCC[N@@H+]1CCC[C@]2(CC[NH+](CC3CCCC3)C2)C1 ZINC000015067946 651184844 /nfs/dbraw/zinc/18/48/44/651184844.db2.gz ZWGOEISOIYLHRQ-KRWDZBQOSA-N 2 0 280.456 2.611 50 0 CFAARP CC1(C[N@@H+]2CCC[C@H](C[NH+]3CCCC3)C2)CCOCC1 ZINC000822307010 781896483 /nfs/dbraw/zinc/89/64/83/781896483.db2.gz HQKNRJAXZCIUPG-MRXNPFEDSA-N 2 0 280.456 2.611 50 0 CFAARP Cn1ccc2cc(C[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)ccc21 ZINC000097742956 230386826 /nfs/dbraw/zinc/38/68/26/230386826.db2.gz USVKVFWZUYYMRC-SFHVURJKSA-N 2 0 283.419 2.754 50 0 CFAARP Cc1cc(C)n(C[C@H](C)C[NH2+]C2CC[NH+](C(C)C)CC2)n1 ZINC000095967323 185046998 /nfs/dbraw/zinc/04/69/98/185046998.db2.gz SLWYTSDRRCVAAS-CQSZACIVSA-N 2 0 292.471 2.598 50 0 CFAARP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C12CCC2 ZINC000095968520 185048072 /nfs/dbraw/zinc/04/80/72/185048072.db2.gz DOMCDIBRVQOPJM-DLBZAZTESA-N 2 0 292.467 2.798 50 0 CFAARP COCCC[NH+]1CCC([NH2+]C2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000097020451 185152740 /nfs/dbraw/zinc/15/27/40/185152740.db2.gz HLGONIWBYQGTHY-HUUCEWRRSA-N 2 0 282.472 2.902 50 0 CFAARP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(OC)c(Cl)c2)C1 ZINC000086585491 179309874 /nfs/dbraw/zinc/30/98/74/179309874.db2.gz BDOJVAGKAPCIRE-CYBMUJFWSA-N 2 0 282.815 2.780 50 0 CFAARP COC[C@H]1C[N@H+](Cc2sccc2C)CC12CC[NH2+]CC2 ZINC000169789798 348052637 /nfs/dbraw/zinc/05/26/37/348052637.db2.gz YLVTXHXTCSIMNF-CQSZACIVSA-N 2 0 294.464 2.505 50 0 CFAARP Cc1cc[n+](Cc2ccccc2C[n+]2ccc(C)cc2)cc1 ZINC000002525047 371732889 /nfs/dbraw/zinc/73/28/89/371732889.db2.gz IEYIYGKVHIPRCF-UHFFFAOYSA-N 2 0 290.410 2.975 50 0 CFAARP CCN1CCC[C@H]([NH+]2CCC(C[NH+]3CCCCC3)CC2)C1 ZINC000032511794 372441372 /nfs/dbraw/zinc/44/13/72/372441372.db2.gz SNKYYSOJPXDMBK-SFHVURJKSA-N 2 0 293.499 2.669 50 0 CFAARP CCN1CCC[C@@H]([NH+]2CCC(C[NH+]3CCCCC3)CC2)C1 ZINC000032511793 372441794 /nfs/dbraw/zinc/44/17/94/372441794.db2.gz SNKYYSOJPXDMBK-GOSISDBHSA-N 2 0 293.499 2.669 50 0 CFAARP C/C(=C\c1ccco1)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000067714344 373997494 /nfs/dbraw/zinc/99/74/94/373997494.db2.gz IWYJDWJXRFYPQU-SDNWHVSQSA-N 2 0 260.381 2.758 50 0 CFAARP C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccncc1Cl)CC2 ZINC000067885232 374012290 /nfs/dbraw/zinc/01/22/90/374012290.db2.gz QCFLJPRMIBSAJN-UHFFFAOYSA-N 2 0 279.815 2.653 50 0 CFAARP COc1ccc(C[N@H+](CC2CC[NH2+]CC2)C2CC2)cc1 ZINC000094021621 375335459 /nfs/dbraw/zinc/33/54/59/375335459.db2.gz RSXFLMXFDDBTQO-UHFFFAOYSA-N 2 0 274.408 2.659 50 0 CFAARP COCC[N@H+](C)CCC[NH2+]Cc1ccc(C(C)C)cc1 ZINC000097287848 375548001 /nfs/dbraw/zinc/54/80/01/375548001.db2.gz TZOQHHNGODUBDG-UHFFFAOYSA-N 2 0 278.440 2.868 50 0 CFAARP CC1(C)CC([NH2+]Cc2ccc3c[nH]nc3c2)CC(C)(C)[NH2+]1 ZINC000236739340 382912579 /nfs/dbraw/zinc/91/25/79/382912579.db2.gz RDSSLOLWLDILJV-UHFFFAOYSA-N 2 0 286.423 2.962 50 0 CFAARP C[C@H](C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)c1ccc(F)cc1 ZINC000262033456 383597244 /nfs/dbraw/zinc/59/72/44/383597244.db2.gz XKYSIIQWJNVUPP-WXYCVUISSA-N 2 0 262.372 2.598 50 0 CFAARP C[NH+]1CCN(c2ccccc2C[NH2+]Cc2ccccc2)CC1 ZINC000078553890 135001767 /nfs/dbraw/zinc/00/17/67/135001767.db2.gz NZFZCVMURVRQBS-UHFFFAOYSA-N 2 0 295.430 2.728 50 0 CFAARP FCCC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000108464651 397598022 /nfs/dbraw/zinc/59/80/22/397598022.db2.gz SOYFSAMBNCLAOL-IXDOHACOSA-N 2 0 276.399 2.846 50 0 CFAARP C[NH+](C)CCCC[N@H+](C)Cc1cc(-c2ccccn2)no1 ZINC000020994088 171283856 /nfs/dbraw/zinc/28/38/56/171283856.db2.gz XDFOEKCEMHYHTR-UHFFFAOYSA-N 2 0 288.395 2.510 50 0 CFAARP CCOc1cc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)ccc1OC ZINC000044534373 175197830 /nfs/dbraw/zinc/19/78/30/175197830.db2.gz QITFIDSJVMMNJP-OAHLLOKOSA-N 2 0 292.423 2.525 50 0 CFAARP C[NH2+]Cc1cc(-c2cccc3c2CC[NH2+]C3)ccc1OC ZINC000071749344 176259357 /nfs/dbraw/zinc/25/93/57/176259357.db2.gz IFEPXRONJJYJCH-UHFFFAOYSA-N 2 0 282.387 2.727 50 0 CFAARP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)CC1 ZINC000251109601 277152151 /nfs/dbraw/zinc/15/21/51/277152151.db2.gz BVTLXIGKCFSFJA-RBSFLKMASA-N 2 0 280.456 2.652 50 0 CFAARP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1N(C)C ZINC000093942261 278351248 /nfs/dbraw/zinc/35/12/48/278351248.db2.gz GNLNYDMSBAMWIL-CABCVRRESA-N 2 0 287.451 2.888 50 0 CFAARP CCC[NH+]1CCC([NH2+]CCc2ccc(F)cc2)CC1 ZINC000000279789 327636546 /nfs/dbraw/zinc/63/65/46/327636546.db2.gz DSCHNSVTAFVSKT-UHFFFAOYSA-N 2 0 264.388 2.832 50 0 CFAARP CC(C)C[C@@]1(CO)CCC[N@H+](C[C@H]2CC[C@@H]([NH3+])CC2)C1 ZINC000243901874 519287977 /nfs/dbraw/zinc/28/79/77/519287977.db2.gz BFAOUEIXMYXTJV-BBWFWOEESA-N 2 0 282.472 2.625 50 0 CFAARP C[C@H](CC[C@@H]1CC1(Cl)Cl)[NH2+]CCn1ccnc1 ZINC000888098210 619132203 /nfs/dbraw/zinc/13/22/03/619132203.db2.gz DIQDWIMYXSMTPD-GHMZBOCLSA-N 2 0 276.211 2.835 50 0 CFAARP CC1(C)C[C@@H](C[NH+]2CCC(C[NH+]3CCCC3)CC2)CCO1 ZINC000822304191 781897185 /nfs/dbraw/zinc/89/71/85/781897185.db2.gz DYKRFEFVBSQUQU-KRWDZBQOSA-N 2 0 294.483 2.999 50 0 CFAARP Cc1ccccc1OC[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000096484324 230381215 /nfs/dbraw/zinc/38/12/15/230381215.db2.gz VUWRZGJYAXLRIP-GVDBMIGSSA-N 2 0 288.435 2.979 50 0 CFAARP COCC[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)C(C)C ZINC000095969328 185047708 /nfs/dbraw/zinc/04/77/08/185047708.db2.gz UPMMTFKTLXJFJF-OAHLLOKOSA-N 2 0 256.434 2.510 50 0 CFAARP C[C@@H](CCC[NH+](C)C)[NH2+]CCc1ccccc1F ZINC000096009133 185064109 /nfs/dbraw/zinc/06/41/09/185064109.db2.gz LUZNLFWBZSYXED-ZDUSSCGKSA-N 2 0 252.377 2.688 50 0 CFAARP [NH3+][C@H](CC[C@@H]([NH3+])Cc1ccccc1)Cc1ccccc1 ZINC000059153990 346656064 /nfs/dbraw/zinc/65/60/64/346656064.db2.gz CTVQBUFULGSGGL-QZTJIDSGSA-N 2 0 268.404 2.907 50 0 CFAARP COC[C@@H]1C[N@H+](C)CC12CC[NH+](Cc1ccsc1)CC2 ZINC000169789908 348052444 /nfs/dbraw/zinc/05/24/44/348052444.db2.gz RYWIZZMUDZJGHX-HNNXBMFYSA-N 2 0 294.464 2.538 50 0 CFAARP C[NH+](C)Cc1cc(C[NH+](C)C)c(O)c(-c2ccccc2)n1 ZINC000000198830 371556036 /nfs/dbraw/zinc/55/60/36/371556036.db2.gz HCJHGDCFMSUTAV-UHFFFAOYSA-N 2 0 285.391 2.577 50 0 CFAARP CC(C)NC(=[NH2+])NC(=[NH2+])Nc1ccc(Cl)c(Cl)c1 ZINC000000001136 371508070 /nfs/dbraw/zinc/50/80/70/371508070.db2.gz ISZNZKHCRKXXAU-UHFFFAOYSA-N 2 0 288.182 2.862 50 0 world CFAARP CCC[NH+]1CCC([NH2+][C@H](C)CCCC(C)(C)O)CC1 ZINC000000280323 371576961 /nfs/dbraw/zinc/57/69/61/371576961.db2.gz BECLWCGMUKTBLF-CQSZACIVSA-N 2 0 270.461 2.780 50 0 CFAARP CCC[NH+]1CCC([NH2+]CCc2ccccc2F)CC1 ZINC000003683644 371816752 /nfs/dbraw/zinc/81/67/52/371816752.db2.gz BYYYILOJRBKFPB-UHFFFAOYSA-N 2 0 264.388 2.832 50 0 CFAARP CCOc1ccc(C[NH2+]C[C@H]2CC[N@H+](CC)C2)cc1OC ZINC000037644249 372680758 /nfs/dbraw/zinc/68/07/58/372680758.db2.gz WTNLQOYWLBWMMW-OAHLLOKOSA-N 2 0 292.423 2.525 50 0 CFAARP CCN1CCC[C@H]([NH2+]CC2CC[NH+](C3CCCC3)CC2)C1 ZINC000065381894 373861578 /nfs/dbraw/zinc/86/15/78/373861578.db2.gz WCOBHBJVUXGATQ-KRWDZBQOSA-N 2 0 293.499 2.715 50 0 CFAARP Cc1cc(O)cc(C)c1C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000067724293 373996440 /nfs/dbraw/zinc/99/64/40/373996440.db2.gz WGACHEIXFSVPBZ-SFHVURJKSA-N 2 0 288.435 2.927 50 0 CFAARP C=Cc1cccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000067674204 373989911 /nfs/dbraw/zinc/98/99/11/373989911.db2.gz FVCHJIWWQZZSMQ-KRWDZBQOSA-N 2 0 256.393 2.905 50 0 CFAARP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CC2CCCCC2)CC1 ZINC000069592784 374077406 /nfs/dbraw/zinc/07/74/06/374077406.db2.gz SMHYBVHVKKCVFZ-SFHVURJKSA-N 2 0 293.499 2.669 50 0 CFAARP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CC2CCCCC2)CC1 ZINC000069592778 374076186 /nfs/dbraw/zinc/07/61/86/374076186.db2.gz SMHYBVHVKKCVFZ-GOSISDBHSA-N 2 0 293.499 2.669 50 0 CFAARP C[NH+](C)C1CCN(C(C)(C)C[NH2+]C[C@H]2CC=CCC2)CC1 ZINC000095433997 375446847 /nfs/dbraw/zinc/44/68/47/375446847.db2.gz PINXDXDNBYDOAN-INIZCTEOSA-N 2 0 293.499 2.737 50 0 CFAARP C[NH+](C)Cc1ccc(C[NH2+][C@H]2CCCSC2)cc1F ZINC000097084665 375512404 /nfs/dbraw/zinc/51/24/04/375512404.db2.gz GWPNRFVHWXOCKK-AWEZNQCLSA-N 2 0 282.428 2.873 50 0 CFAARP CCc1ccc(CN(C)CC[C@@H](C)[NH+]2CCCC2)nc1 ZINC000219741845 382794444 /nfs/dbraw/zinc/79/44/44/382794444.db2.gz BKIDKRXOKYQSPE-OAHLLOKOSA-N 2 0 275.440 2.950 50 0 CFAARP COC[C@@H]1CCC[N@@H+]1Cc1cc(C[NH+]2CCCC2)cs1 ZINC000215468217 382779242 /nfs/dbraw/zinc/77/92/42/382779242.db2.gz RWJAQEFZYHXQIE-HNNXBMFYSA-N 2 0 294.464 2.955 50 0 CFAARP Cc1n[nH]c(C)c1CC[N@@H+](C)CC(C)(C)C[NH+]1CCCC1 ZINC000216109362 382782254 /nfs/dbraw/zinc/78/22/54/382782254.db2.gz AEXKGPSRKCPCOU-UHFFFAOYSA-N 2 0 292.471 2.623 50 0 CFAARP CN(Cc1ccc(Cl)c(F)c1)C[C@@H]1CC[N@H+](C)C1 ZINC000216479602 382783450 /nfs/dbraw/zinc/78/34/50/382783450.db2.gz ZNWMEBREPBJVJE-GFCCVEGCSA-N 2 0 270.779 2.863 50 0 CFAARP [NH3+][C@@H]1CCCN(C2CCN(c3ccccc3Cl)CC2)C1 ZINC000426494336 383402340 /nfs/dbraw/zinc/40/23/40/383402340.db2.gz PCQMRZODOWZNMP-CYBMUJFWSA-N 2 0 293.842 2.732 50 0 CFAARP Cc1cc(CSC(N)=[NH2+])c(C)cc1CSC(N)=[NH2+] ZINC000004376795 169963062 /nfs/dbraw/zinc/96/30/62/169963062.db2.gz MVXKEWOQELXFTO-UHFFFAOYSA-N 2 0 282.438 2.557 50 0 CFAARP C[C@@H]([NH2+]CC1CC[NH+](C[C@H](C)O)CC1)c1ccccc1F ZINC000069514048 175835833 /nfs/dbraw/zinc/83/58/33/175835833.db2.gz KOIQCHZIKRLTRB-UONOGXRCSA-N 2 0 294.414 2.569 50 0 CFAARP c1ccc(COCC[NH+]2CCC3(CC[NH2+]CC3)CC2)cc1 ZINC000072159378 176329972 /nfs/dbraw/zinc/32/99/72/176329972.db2.gz GQGRPBVEQBSIGU-UHFFFAOYSA-N 2 0 288.435 2.669 50 0 CFAARP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)CC1 ZINC000230164056 277151784 /nfs/dbraw/zinc/15/17/84/277151784.db2.gz MOINEFTZFLKOLB-XHSDSOJGSA-N 2 0 280.456 2.797 50 0 CFAARP Cc1c[nH+]ccc1NCC[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000952982658 650791922 /nfs/dbraw/zinc/79/19/22/650791922.db2.gz QYUASSHNZBPLDC-UHFFFAOYSA-N 2 0 293.773 2.806 50 0 CFAARP CC(C)(C[NH+]1CCCC1)C[N@@H+]1CCC[C@@H](C(C)(C)O)C1 ZINC000821259990 781880248 /nfs/dbraw/zinc/88/02/48/781880248.db2.gz CVRTVFIJIXBROK-OAHLLOKOSA-N 2 0 282.472 2.591 50 0 CFAARP CC1(C)C[C@H](C[NH+]2CCC(C[NH+]3CCCC3)CC2)CCO1 ZINC000822304192 781897275 /nfs/dbraw/zinc/89/72/75/781897275.db2.gz DYKRFEFVBSQUQU-QGZVFWFLSA-N 2 0 294.483 2.999 50 0 CFAARP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccccc2F)[C@H](C)C1 ZINC000095967135 185046741 /nfs/dbraw/zinc/04/67/41/185046741.db2.gz UWGIMAMCYKMEOJ-CZUORRHYSA-N 2 0 264.388 2.688 50 0 CFAARP C[N@H+](C/C=C/c1ccc(F)cc1)C[C@@H]1CCC[NH2+]C1 ZINC000097743426 529820086 /nfs/dbraw/zinc/82/00/86/529820086.db2.gz YEIOVYMYNLDQRR-SJDLMVEWSA-N 2 0 262.372 2.770 50 0 CFAARP Cc1scc(C[n+]2ccc(C)c3ccccc32)[n+]1C ZINC000032106646 346300332 /nfs/dbraw/zinc/30/03/32/346300332.db2.gz FOKMOYVWTGNERH-UHFFFAOYSA-N 2 0 270.401 2.678 50 0 CFAARP CC(C)[NH+]1CCC([NH2+][C@@H](C)C[C@@H](O)c2ccco2)CC1 ZINC000097238266 347708551 /nfs/dbraw/zinc/70/85/51/347708551.db2.gz WJNLRSDGVACJSB-DZGCQCFKSA-N 2 0 280.412 2.554 50 0 CFAARP C[N@@H+]1CCC2(C1)CC[NH+]([C@H]1CCN(c3ccccc3)C1)CC2 ZINC000584885333 348727179 /nfs/dbraw/zinc/72/71/79/348727179.db2.gz MCBOZNFRQWWWCC-SFHVURJKSA-N 2 0 299.462 2.683 50 0 CFAARP c1cc(C[NH+]2CCCC2)ccc1C[NH2+]C1CCOCC1 ZINC000584902559 348733057 /nfs/dbraw/zinc/73/30/57/348733057.db2.gz DRZHWYPSEWGRSR-UHFFFAOYSA-N 2 0 274.408 2.551 50 0 CFAARP CN1CCC(CNc2nccc3ccccc32)([NH+](C)C)CC1 ZINC000823759413 781937308 /nfs/dbraw/zinc/93/73/08/781937308.db2.gz IJZWVUVDNUCXCC-UHFFFAOYSA-N 2 0 298.434 2.673 50 0 CFAARP CCC[NH+]1CCC([NH2+]CCc2ccccc2OC)CC1 ZINC000000761383 371649380 /nfs/dbraw/zinc/64/93/80/371649380.db2.gz YIOFMJAQYKCYRI-UHFFFAOYSA-N 2 0 276.424 2.702 50 0 CFAARP c1ccc2c(c1)CCO[C@@H]2C[NH2+]CCC[NH+]1CCCCC1 ZINC000001836150 371708412 /nfs/dbraw/zinc/70/84/12/371708412.db2.gz JMUZORWKBQAOBK-GOSISDBHSA-N 2 0 288.435 2.766 50 0 CFAARP C[C@H]1CN(C2CC[NH+](C3CCCCC3)CC2)C[C@H](C)O1 ZINC000002734587 371748456 /nfs/dbraw/zinc/74/84/56/371748456.db2.gz LGZGLORGIAFKQY-GJZGRUSLSA-N 2 0 280.456 2.893 50 0 CFAARP CC[NH+](CC)CC1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000047978357 373137631 /nfs/dbraw/zinc/13/76/31/373137631.db2.gz YIXGKXNCKDBLJH-UHFFFAOYSA-N 2 0 279.428 2.845 50 0 CFAARP [NH3+]CCC[NH2+]C1CCN(c2cccc(-c3ccco3)c2)CC1 ZINC000063846706 373817157 /nfs/dbraw/zinc/81/71/57/373817157.db2.gz XENFERYFYBXMAH-UHFFFAOYSA-N 2 0 299.418 2.854 50 0 CFAARP C/C(=C\c1ccco1)CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000067674965 373990124 /nfs/dbraw/zinc/99/01/24/373990124.db2.gz BXOYCRAQIMQUTH-DKGMDFAASA-N 2 0 260.381 2.758 50 0 CFAARP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C(C)C)CC2)C12CCC2 ZINC000087709185 374828000 /nfs/dbraw/zinc/82/80/00/374828000.db2.gz ATKRYHLUUZEZQF-HZPDHXFCSA-N 2 0 280.456 2.797 50 0 CFAARP Cc1nc(C)c([C@@H](C)[N@H+](C)CC2CC[NH2+]CC2)s1 ZINC000094010670 375335712 /nfs/dbraw/zinc/33/57/12/375335712.db2.gz XANKFCVWAYKDPR-LLVKDONJSA-N 2 0 267.442 2.752 50 0 CFAARP CCc1ccc(CC[N@@H+]2CC[C@@H]3C[NH+](C)CC[C@@H]32)cc1 ZINC000095466741 375458566 /nfs/dbraw/zinc/45/85/66/375458566.db2.gz BOBPORJLRLGBGL-MSOLQXFVSA-N 2 0 272.436 2.818 50 0 CFAARP CO[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000188806697 382480422 /nfs/dbraw/zinc/48/04/22/382480422.db2.gz WVLNUFGPFOQVIA-NVXWUHKLSA-N 2 0 280.456 2.941 50 0 CFAARP COc1ccc(CN(C)C[C@]2(C)CC[N@H+](C)C2)c(F)c1 ZINC000215391334 382778517 /nfs/dbraw/zinc/77/85/17/382778517.db2.gz JAOVIJNMVOXDBZ-MRXNPFEDSA-N 2 0 280.387 2.608 50 0 CFAARP CCOCCC[N@@H+]1CC[C@@H](Nc2ccccn2)[C@@H](C)C1 ZINC000229813493 382853420 /nfs/dbraw/zinc/85/34/20/382853420.db2.gz MZIUZDABHUDNKE-LSDHHAIUSA-N 2 0 277.412 2.631 50 0 CFAARP C[C@H](C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)c1ccc(F)cc1 ZINC000262033459 383597564 /nfs/dbraw/zinc/59/75/64/383597564.db2.gz XKYSIIQWJNVUPP-XTBFLFJDSA-N 2 0 262.372 2.598 50 0 CFAARP [NH3+]CCC[NH2+]CCOc1ccc(-c2ccccc2)cc1 ZINC000004832170 170026006 /nfs/dbraw/zinc/02/60/06/170026006.db2.gz CWEUZHROVCHQRW-UHFFFAOYSA-N 2 0 270.376 2.671 50 0 CFAARP [NH3+]C1CC[NH+](Cc2ccc3cc(F)ccc3c2)CC1 ZINC000005514379 170106831 /nfs/dbraw/zinc/10/68/31/170106831.db2.gz VORWTFWMZCRIGW-UHFFFAOYSA-N 2 0 258.340 2.902 50 0 CFAARP CCOc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1OC ZINC000044533718 175197870 /nfs/dbraw/zinc/19/78/70/175197870.db2.gz SXPCKPACECQRKL-HNNXBMFYSA-N 2 0 292.423 2.525 50 0 CFAARP CC[NH+](CC)CCC[NH2+]Cc1cn(C)c2ccccc12 ZINC000045946164 175388132 /nfs/dbraw/zinc/38/81/32/175388132.db2.gz DMZPLEBMAYBESM-UHFFFAOYSA-N 2 0 273.424 3.000 50 0 CFAARP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCCCCO)C1 ZINC000071905407 176296487 /nfs/dbraw/zinc/29/64/87/176296487.db2.gz OFYHBCULHPANFM-DLBZAZTESA-N 2 0 282.472 2.735 50 0 CFAARP Cc1cccc(C[N@@H+]2CCCN(c3cc[nH+]c(C)c3)CC2)n1 ZINC000072131798 176321550 /nfs/dbraw/zinc/32/15/50/176321550.db2.gz OEKMETKDBQTXDK-UHFFFAOYSA-N 2 0 296.418 2.806 50 0 CFAARP CCCc1ccc(C[NH+]2CCC(OCC[NH+](C)C)CC2)o1 ZINC000214979419 521397720 /nfs/dbraw/zinc/39/77/20/521397720.db2.gz UTARNNVBHOZWNL-UHFFFAOYSA-N 2 0 294.439 2.775 50 0 CFAARP Cc1cc(N2C[C@H]([NH3+])[C@@H](C3CC3)C2)c2ccccc2[nH+]1 ZINC000095356025 650971192 /nfs/dbraw/zinc/97/11/92/650971192.db2.gz QVKWBYAXIZUZDI-CABCVRRESA-N 2 0 267.376 2.717 50 0 CFAARP C[C@@H]([NH2+]C[C@]1(O)CCC[N@@H+]2CCCC[C@@H]21)c1ccccc1 ZINC000063872578 781562669 /nfs/dbraw/zinc/56/26/69/781562669.db2.gz YSMSGWNMWMGGFC-KBAYOESNSA-N 2 0 288.435 2.717 50 0 CFAARP C[NH+]1CCC([C@H](C[NH3+])c2ccc(Cl)cc2)CC1 ZINC000082729063 178245942 /nfs/dbraw/zinc/24/59/42/178245942.db2.gz OFGCMWHQOOMDPF-CQSZACIVSA-N 2 0 252.789 2.724 50 0 CFAARP C/C=C\C[C@@H](CO)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000606441180 351269992 /nfs/dbraw/zinc/26/99/92/351269992.db2.gz JPPGUHAJHPWQKD-YPQKKHBXSA-N 2 0 280.456 2.700 50 0 CFAARP C[C@@H](c1cccc(C[N@H+](C)CC2(C)COC2)c1)[NH+](C)C ZINC000823683730 781935693 /nfs/dbraw/zinc/93/56/93/781935693.db2.gz IWJOHFJVJRZBHW-AWEZNQCLSA-N 2 0 276.424 2.778 50 0 CFAARP CC[NH+]1CCC([NH2+]Cc2ccc(Cl)cc2)CC1 ZINC000000757758 371649050 /nfs/dbraw/zinc/64/90/50/371649050.db2.gz CVPPIYQJNBRFBQ-UHFFFAOYSA-N 2 0 252.789 2.914 50 0 CFAARP CCC[N@@H+]1CCC[C@@H](C[NH2+]C2Cc3ccccc3C2)C1 ZINC000065375888 373861125 /nfs/dbraw/zinc/86/11/25/373861125.db2.gz DBWPCPONXHDKQH-HNNXBMFYSA-N 2 0 272.436 2.865 50 0 CFAARP C[NH+](C)Cc1ccccc1Oc1ccc2c(c1)C[C@H](C[NH3+])O2 ZINC000067920909 374015534 /nfs/dbraw/zinc/01/55/34/374015534.db2.gz GFHPSQTVYQKNRQ-MRXNPFEDSA-N 2 0 298.386 2.803 50 0 CFAARP c1cc(CCC2CC[NH2+]CC2)[nH]c1CCC1CC[NH2+]CC1 ZINC000071772941 374223154 /nfs/dbraw/zinc/22/31/54/374223154.db2.gz MWWHGEQZDXOISQ-UHFFFAOYSA-N 2 0 289.467 2.879 50 0 CFAARP C[NH+](C)C1CCN(C(C)(C)C[NH2+]C[C@@H]2CC=CCC2)CC1 ZINC000095433998 375446976 /nfs/dbraw/zinc/44/69/76/375446976.db2.gz PINXDXDNBYDOAN-MRXNPFEDSA-N 2 0 293.499 2.737 50 0 CFAARP Fc1ccc(CC2CC[NH+](C[C@H]3[C@@H]4C[NH2+]C[C@H]34)CC2)cc1 ZINC000102368053 375672679 /nfs/dbraw/zinc/67/26/79/375672679.db2.gz HSPJQIHYPHCOJP-PIIMJCKOSA-N 2 0 288.410 2.546 50 0 CFAARP O[C@H]1CC[C@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000189312720 382590372 /nfs/dbraw/zinc/59/03/72/382590372.db2.gz NNTHZSWCDKARBH-YOEHRIQHSA-N 2 0 280.456 2.534 50 0 CFAARP Cc1cc(C)n(CCC[NH+](C)C[C@H]2CC[N@@H+](C(C)C)C2)n1 ZINC000244690847 382990081 /nfs/dbraw/zinc/99/00/81/382990081.db2.gz IXZOGUHGXSGMEM-QGZVFWFLSA-N 2 0 292.471 2.552 50 0 CFAARP CSc1ccc(C[NH2+]CC2(C)CC[NH+](C)CC2)o1 ZINC000585118327 383114962 /nfs/dbraw/zinc/11/49/62/383114962.db2.gz KPRYXDZRPZDFPD-UHFFFAOYSA-N 2 0 268.426 2.823 50 0 CFAARP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](CC)C[C@H]2C)C12CCC2 ZINC000247950019 383201610 /nfs/dbraw/zinc/20/16/10/383201610.db2.gz DXSRRUVTCJPAEB-LVQVYYBASA-N 2 0 280.456 2.654 50 0 CFAARP C[C@H](C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)c1ccc(F)cc1 ZINC000262033453 383597597 /nfs/dbraw/zinc/59/75/97/383597597.db2.gz XKYSIIQWJNVUPP-SHPPOPEUSA-N 2 0 262.372 2.598 50 0 CFAARP CSCCC[N@@H+]1CCCN(c2cc[nH+]cc2C)CC1 ZINC000077555074 393699500 /nfs/dbraw/zinc/69/95/00/393699500.db2.gz XEXJICLDAJXJRZ-UHFFFAOYSA-N 2 0 279.453 2.655 50 0 CFAARP C([NH2+][C@@H]1CCSC1)C1CC[NH+](C2CCCC2)CC1 ZINC000065403284 275395544 /nfs/dbraw/zinc/39/55/44/275395544.db2.gz KBAAMLHNGDVWFY-CQSZACIVSA-N 2 0 268.470 2.736 50 0 CFAARP CC1(C)CC([NH2+]CCC2(O)CCCC2)CC(C)(C)[NH2+]1 ZINC000828605321 782098959 /nfs/dbraw/zinc/09/89/59/782098959.db2.gz FHHPAPHHSZJVPP-UHFFFAOYSA-N 2 0 268.445 2.580 50 0 CFAARP CC1(C)CN(c2cc[nH+]cc2C(F)(F)F)CCC[NH2+]1 ZINC000952995427 614683499 /nfs/dbraw/zinc/68/34/99/614683499.db2.gz LTDDHJPUACZJAX-UHFFFAOYSA-N 2 0 273.302 2.679 50 0 CFAARP C[C@@H](CC[C@@H]1CC1(Cl)Cl)[NH2+]CCn1ccnc1 ZINC000888098224 619132100 /nfs/dbraw/zinc/13/21/00/619132100.db2.gz DIQDWIMYXSMTPD-WDEREUQCSA-N 2 0 276.211 2.835 50 0 CFAARP C[N@@H+]1CC[C@@H]2C[NH+](CCCc3c(F)cccc3F)C[C@@H]2C1 ZINC000864091343 637871492 /nfs/dbraw/zinc/87/14/92/637871492.db2.gz SQJCOTSXCIELHL-KGLIPLIRSA-N 2 0 294.389 2.781 50 0 CFAARP CSc1cccc(C[NH2+]CCNc2cc[nH+]cc2C)c1 ZINC000952969624 650790900 /nfs/dbraw/zinc/79/09/00/650790900.db2.gz MMXNSLCTBKNMOA-UHFFFAOYSA-N 2 0 287.432 2.736 50 0 CFAARP CC[N@@H+]1CCC[C@@H](N2CCC[C@@H](C[NH+]3CCCCC3)C2)C1 ZINC000032519409 779019032 /nfs/dbraw/zinc/01/90/32/779019032.db2.gz GNIWFILOVKJHGZ-ZWKOTPCHSA-N 2 0 293.499 2.669 50 0 CFAARP CCN(C)c1ccccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000095974241 185049650 /nfs/dbraw/zinc/04/96/50/185049650.db2.gz AZAGKHNKHOSHAZ-IAGOWNOFSA-N 2 0 287.451 2.859 50 0 CFAARP COCC[C@H](C)[NH2+]CC1CC[NH+](C2CCCC2)CC1 ZINC000584900880 348732039 /nfs/dbraw/zinc/73/20/39/348732039.db2.gz LCOOUECSFYESGV-AWEZNQCLSA-N 2 0 268.445 2.656 50 0 CFAARP C[C@H](c1cccc(C[N@H+](C)CC2(C)COC2)c1)[NH+](C)C ZINC000823683731 781936171 /nfs/dbraw/zinc/93/61/71/781936171.db2.gz IWJOHFJVJRZBHW-CQSZACIVSA-N 2 0 276.424 2.778 50 0 CFAARP C[N@H+](CCOc1ccc(F)cc1)C[C@@H]1CC[NH+](C)C1(C)C ZINC000670450945 540999630 /nfs/dbraw/zinc/99/96/30/540999630.db2.gz AQWFPTXNPHONCW-AWEZNQCLSA-N 2 0 294.414 2.867 50 0 CFAARP CCC[NH+]1CCC([NH2+][C@@H](C)CCCC(C)(C)O)CC1 ZINC000000280322 371576502 /nfs/dbraw/zinc/57/65/02/371576502.db2.gz BECLWCGMUKTBLF-AWEZNQCLSA-N 2 0 270.461 2.780 50 0 CFAARP c1ccc(NCC[NH2+]C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000055074686 373539219 /nfs/dbraw/zinc/53/92/19/373539219.db2.gz CAISHGLDTJLOKC-FUHWJXTLSA-N 2 0 287.451 2.953 50 0 CFAARP c1[nH]c2ccccc2c1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000067561104 373983329 /nfs/dbraw/zinc/98/33/29/373983329.db2.gz QUTSZDLTAVQJJD-KRWDZBQOSA-N 2 0 269.392 2.743 50 0 CFAARP Cc1cc(C)cc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000067588906 373986049 /nfs/dbraw/zinc/98/60/49/373986049.db2.gz ZWTCUEHKIVKJLX-UHFFFAOYSA-N 2 0 258.409 2.879 50 0 CFAARP C[C@@H](C1CC[NH+](Cc2cccs2)CC1)[NH+]1CCOCC1 ZINC000072480271 374255937 /nfs/dbraw/zinc/25/59/37/374255937.db2.gz VTIINHJPIFIFRA-AWEZNQCLSA-N 2 0 294.464 2.681 50 0 CFAARP CCC[NH+]1CCC([NH2+][C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000094422839 375360203 /nfs/dbraw/zinc/36/02/03/375360203.db2.gz GMUOHQKORQYQND-CQSZACIVSA-N 2 0 268.445 2.797 50 0 CFAARP COCCC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000048562751 284892299 /nfs/dbraw/zinc/89/22/99/284892299.db2.gz FXTRDSPNQWTWKS-UHFFFAOYSA-N 2 0 268.445 2.611 50 0 CFAARP COc1ccc2cc(C[N@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)ccc2c1 ZINC000194535213 382747299 /nfs/dbraw/zinc/74/72/99/382747299.db2.gz UIVFRUFQIKYIHU-HDICACEKSA-N 2 0 296.414 2.842 50 0 CFAARP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccccc2F)[C@@H](C)C1 ZINC000222107742 382800761 /nfs/dbraw/zinc/80/07/61/382800761.db2.gz UWGIMAMCYKMEOJ-BBRMVZONSA-N 2 0 264.388 2.688 50 0 CFAARP COc1cc(F)ccc1C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC000426471689 383401060 /nfs/dbraw/zinc/40/10/60/383401060.db2.gz SUVMWRGAKFSBAB-UHFFFAOYSA-N 2 0 292.398 2.800 50 0 CFAARP CC[C@@H](c1cccnc1)[N@H+](C)C[C@H]1CC[C@@H]([NH3+])CC1 ZINC000253378332 383453799 /nfs/dbraw/zinc/45/37/99/383453799.db2.gz BZWQUENPWHRRFE-IMJJTQAJSA-N 2 0 261.413 2.982 50 0 CFAARP C[C@@H]1CC[C@@H]([NH2+]CC2(N(C)C)CCOCC2)C[C@H]1C ZINC000253370763 383453816 /nfs/dbraw/zinc/45/38/16/383453816.db2.gz VPWWILHCIIOHIF-RBSFLKMASA-N 2 0 268.445 2.512 50 0 CFAARP CC[NH+]1CCC([NH2+]C/C=C\c2ccccc2OC)CC1 ZINC000096297184 393818475 /nfs/dbraw/zinc/81/84/75/393818475.db2.gz WDLJWZYNKVDFSV-VURMDHGXSA-N 2 0 274.408 2.782 50 0 CFAARP C[C@@H](NCC[NH+]1CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000096502721 287027608 /nfs/dbraw/zinc/02/76/08/287027608.db2.gz JZUXBIADDVIZDY-IAGOWNOFSA-N 2 0 293.499 2.715 50 0 CFAARP CCC[NH+]1CCC(C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000241564187 276257060 /nfs/dbraw/zinc/25/70/60/276257060.db2.gz OSAZFWMIPVEPLZ-BRWVUGGUSA-N 2 0 294.483 2.902 50 0 CFAARP COC(=O)CC[N@H+](C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000069451228 277316675 /nfs/dbraw/zinc/31/66/75/277316675.db2.gz SJKBORIRXDXTCE-UHFFFAOYSA-N 2 0 296.455 2.524 50 0 CFAARP CO[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000188806651 523721050 /nfs/dbraw/zinc/72/10/50/523721050.db2.gz WVLNUFGPFOQVIA-DOTOQJQBSA-N 2 0 280.456 2.941 50 0 CFAARP CCCC[N@H+](CCCCO)CC[C@@H]1CCCC[NH+]1C ZINC000019809914 651294296 /nfs/dbraw/zinc/29/42/96/651294296.db2.gz LCIVSDZDSMVYTE-INIZCTEOSA-N 2 0 270.461 2.735 50 0 CFAARP CCC[NH+]1CCC(N2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000020869343 651302152 /nfs/dbraw/zinc/30/21/52/651302152.db2.gz WTMSRVHXQXGDSX-UHFFFAOYSA-N 2 0 293.499 2.811 50 0 CFAARP C[NH+](C)C1CCN(CC[NH2+]C2CCCCCCC2)CC1 ZINC000096479043 230379973 /nfs/dbraw/zinc/37/99/73/230379973.db2.gz JITGEXJUEGPFTC-UHFFFAOYSA-N 2 0 281.488 2.715 50 0 CFAARP C[NH+]1CCC(OCCCNc2cc[nH+]c3ccccc23)CC1 ZINC000584888661 348728409 /nfs/dbraw/zinc/72/84/09/348728409.db2.gz UZEFHVQKLGZUSJ-UHFFFAOYSA-N 2 0 299.418 2.570 50 0 CFAARP C[N@H+](CCOc1ccc(F)cc1)C[C@H]1CC[NH+](C)C1(C)C ZINC000670450946 540999294 /nfs/dbraw/zinc/99/92/94/540999294.db2.gz AQWFPTXNPHONCW-CQSZACIVSA-N 2 0 294.414 2.867 50 0 CFAARP c1cncc(C[NH2+]CC2CC[NH+](C3CCCC3)CC2)c1 ZINC000019735506 372182076 /nfs/dbraw/zinc/18/20/76/372182076.db2.gz MATITPVZYUNSTM-UHFFFAOYSA-N 2 0 273.424 2.826 50 0 CFAARP c1coc(C[NH+]2CCC(C[NH+]3CCSCC3)CC2)c1 ZINC000019595461 372175542 /nfs/dbraw/zinc/17/55/42/372175542.db2.gz FYTQXRYDJCREGX-UHFFFAOYSA-N 2 0 280.437 2.540 50 0 CFAARP CC(C)[NH+]1CCC([NH2+]CCc2ccccc2F)CC1 ZINC000019912615 372208178 /nfs/dbraw/zinc/20/81/78/372208178.db2.gz MEPQTBJVVIBYAB-UHFFFAOYSA-N 2 0 264.388 2.831 50 0 CFAARP CCN(CC)[C@H](C[NH2+]CC1CC[NH+](C)CC1)c1ccco1 ZINC000032592838 372447845 /nfs/dbraw/zinc/44/78/45/372447845.db2.gz HUKCKZLKRYNABC-MRXNPFEDSA-N 2 0 293.455 2.594 50 0 CFAARP CCC[NH+]1CCC(Cc2noc([C@@H]3CCCCN3)n2)CC1 ZINC000067968078 374018344 /nfs/dbraw/zinc/01/83/44/374018344.db2.gz DQUOBAODIYYMFV-AWEZNQCLSA-N 2 0 292.427 2.549 50 0 CFAARP OCC[NH+]1CCC(C[NH2+]Cc2cccc3ccccc32)CC1 ZINC000069436337 374064303 /nfs/dbraw/zinc/06/43/03/374064303.db2.gz SNOYYFYPQNMHAN-UHFFFAOYSA-N 2 0 298.430 2.634 50 0 CFAARP CCC[NH+]1CCC([NH2+][C@@H]2C[C@H](OCC)C23CCC3)CC1 ZINC000087709187 374828105 /nfs/dbraw/zinc/82/81/05/374828105.db2.gz GPACHYKNZQBJDA-CVEARBPZSA-N 2 0 280.456 2.798 50 0 CFAARP C[N@@H+]1CCCN(CCC[NH2+]C2CCCCCCC2)CC1 ZINC000095421923 375441187 /nfs/dbraw/zinc/44/11/87/375441187.db2.gz GZSDUZKDYLVYTB-UHFFFAOYSA-N 2 0 281.488 2.717 50 0 CFAARP [NH3+]C[C@@H]1CC[N@H+](Cc2ccccc2OC2CCCC2)C1 ZINC000097499507 375566842 /nfs/dbraw/zinc/56/68/42/375566842.db2.gz XMJXTTUVJYTRIY-AWEZNQCLSA-N 2 0 274.408 2.789 50 0 CFAARP [NH3+]C[C@H]1CC[N@H+](Cc2ccccc2OC2CCCC2)C1 ZINC000097499506 375567023 /nfs/dbraw/zinc/56/70/23/375567023.db2.gz XMJXTTUVJYTRIY-CQSZACIVSA-N 2 0 274.408 2.789 50 0 CFAARP CSCCC[N@H+](C)Cc1cccc(C[NH+](C)C)c1 ZINC000097756345 375582499 /nfs/dbraw/zinc/58/24/99/375582499.db2.gz CYJRYEBDDRKYLS-UHFFFAOYSA-N 2 0 266.454 2.933 50 0 CFAARP C[N@@H+]1CCC[C@@H](COc2cccc(C[NH2+]C3CC3)c2)C1 ZINC000299763700 382043987 /nfs/dbraw/zinc/04/39/87/382043987.db2.gz ZOUBQGGFEZBWJJ-OAHLLOKOSA-N 2 0 274.408 2.659 50 0 CFAARP C[N@@H+]1CCC[C@H](COc2cccc(C[NH2+]C3CC3)c2)C1 ZINC000299763698 382044054 /nfs/dbraw/zinc/04/40/54/382044054.db2.gz ZOUBQGGFEZBWJJ-HNNXBMFYSA-N 2 0 274.408 2.659 50 0 CFAARP FCCC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000230099226 382855674 /nfs/dbraw/zinc/85/56/74/382855674.db2.gz SOYFSAMBNCLAOL-GVDBMIGSSA-N 2 0 276.399 2.846 50 0 CFAARP CCc1ccc(CC[N@@H+]2CC[C@@H]3C[NH+](C)CC[C@H]32)cc1 ZINC000230228713 382857833 /nfs/dbraw/zinc/85/78/33/382857833.db2.gz BOBPORJLRLGBGL-QZTJIDSGSA-N 2 0 272.436 2.818 50 0 CFAARP C[C@H](CC[C@@H]1CCCO1)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000245344204 382997876 /nfs/dbraw/zinc/99/78/76/382997876.db2.gz YBZJXKRRDPZJQF-UGUYLWEFSA-N 2 0 266.429 2.551 50 0 CFAARP C[C@@H]1CC[C@H]([NH2+]CC2(N(C)C)CCOCC2)C[C@H]1C ZINC000253370762 383453645 /nfs/dbraw/zinc/45/36/45/383453645.db2.gz VPWWILHCIIOHIF-KFWWJZLASA-N 2 0 268.445 2.512 50 0 CFAARP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000248869193 287218754 /nfs/dbraw/zinc/21/87/54/287218754.db2.gz ZJROJJVTXSZWPC-NFAWXSAZSA-N 2 0 250.430 2.885 50 0 CFAARP COc1ccc([C@]2(CC[NH3+])C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000004340227 169959610 /nfs/dbraw/zinc/95/96/10/169959610.db2.gz QCPLMTXDUPTFBC-CKEIUWERSA-N 2 0 276.424 2.642 50 0 CFAARP CCOc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)ccc1OC ZINC000044534371 175196927 /nfs/dbraw/zinc/19/69/27/175196927.db2.gz QITFIDSJVMMNJP-HNNXBMFYSA-N 2 0 292.423 2.525 50 0 CFAARP C=Cc1cccc(C[N@H+]2CCN(C)C3(CC[NH+](C)CC3)C2)c1 ZINC000067642403 175780118 /nfs/dbraw/zinc/78/01/18/175780118.db2.gz GXEVFBXHKRORPL-UHFFFAOYSA-N 2 0 299.462 2.541 50 0 CFAARP C[C@@H](O)C[NH+]1CCC(C[NH2+][C@H](C)c2ccccc2F)CC1 ZINC000069514052 175835765 /nfs/dbraw/zinc/83/57/65/175835765.db2.gz KOIQCHZIKRLTRB-ZIAGYGMSSA-N 2 0 294.414 2.569 50 0 CFAARP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(F)cc1N(C)C ZINC000095421891 279464243 /nfs/dbraw/zinc/46/42/43/279464243.db2.gz YVXXGPDXDVXPED-ZDUSSCGKSA-N 2 0 293.430 2.884 50 0 CFAARP Cc1ccccc1N1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000072137084 281346753 /nfs/dbraw/zinc/34/67/53/281346753.db2.gz NTEBIMNUANLZEA-QGZVFWFLSA-N 2 0 287.451 2.507 50 0 CFAARP