smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1cc(=O)[nH]c(-c2ccc(C[N@H+](C)Cc3nc4ccccc4[nH]3)cc2)n1 ZINC000023214487 937155906 /nfs/dbraw/zinc/15/59/06/937155906.db2.gz QYNXQERNOWYZDS-UHFFFAOYSA-N 1 2 373.460 3.508 50 0 FHAALO CCc1cc(=O)[nH]c(-c2ccc(C[N@@H+](C)Cc3nc4ccccc4[nH]3)cc2)n1 ZINC000023214487 937155908 /nfs/dbraw/zinc/15/59/08/937155908.db2.gz QYNXQERNOWYZDS-UHFFFAOYSA-N 1 2 373.460 3.508 50 0 FHAALO O[C@@H](c1ccc2c(c1)C[N@@H+](C/C=C/c1ccco1)CCO2)c1ccccn1 ZINC000299767383 945124987 /nfs/dbraw/zinc/12/49/87/945124987.db2.gz KJZGXJPWEFZXCL-YXMLYAQVSA-N 1 2 362.429 3.664 50 0 FHAALO O[C@@H](c1ccc2c(c1)C[N@H+](C/C=C/c1ccco1)CCO2)c1ccccn1 ZINC000299767383 945124993 /nfs/dbraw/zinc/12/49/93/945124993.db2.gz KJZGXJPWEFZXCL-YXMLYAQVSA-N 1 2 362.429 3.664 50 0 FHAALO COc1cc(C[C@H](C)N2CC[NH+](C/C=C/c3ccccc3)CC2)ccc1O ZINC000023281064 939966258 /nfs/dbraw/zinc/96/62/58/939966258.db2.gz XZVWXUVQSALEME-AIADIJKESA-N 1 2 366.505 3.663 50 0 FHAALO Cc1[nH+]c(N2CCCC2)ccc1NC(=O)N1CCCc2ccccc2C1 ZINC000178593664 942090636 /nfs/dbraw/zinc/09/06/36/942090636.db2.gz KDPHQRWNCXVUDR-UHFFFAOYSA-N 1 2 350.466 3.971 50 0 FHAALO O[C@H](c1ccc2c(c1)C[N@@H+](C/C=C/c1ccco1)CCO2)c1ccccn1 ZINC000299767380 203758967 /nfs/dbraw/zinc/75/89/67/203758967.db2.gz KJZGXJPWEFZXCL-WTCGPSRQSA-N 1 2 362.429 3.664 50 0 FHAALO O[C@H](c1ccc2c(c1)C[N@H+](C/C=C/c1ccco1)CCO2)c1ccccn1 ZINC000299767380 203758970 /nfs/dbraw/zinc/75/89/70/203758970.db2.gz KJZGXJPWEFZXCL-WTCGPSRQSA-N 1 2 362.429 3.664 50 0 FHAALO CCOC(=O)c1ccc(-n2cc[nH+]c2)c(NC(=O)c2ccc(Cl)cc2)c1 ZINC000003269874 204086747 /nfs/dbraw/zinc/08/67/47/204086747.db2.gz LKAPABPKUDAHCX-UHFFFAOYSA-N 1 2 369.808 3.955 50 0 FHAALO C[N@H+](CC(=O)Nc1cccc(Br)c1)Cc1cccc(F)c1 ZINC000003335529 204092654 /nfs/dbraw/zinc/09/26/54/204092654.db2.gz AZNDNGJRBTXEIZ-UHFFFAOYSA-N 1 2 351.219 3.659 50 0 FHAALO C[N@@H+](CC(=O)Nc1cccc(Br)c1)Cc1cccc(F)c1 ZINC000003335529 204092657 /nfs/dbraw/zinc/09/26/57/204092657.db2.gz AZNDNGJRBTXEIZ-UHFFFAOYSA-N 1 2 351.219 3.659 50 0 FHAALO CCCCNc1[nH+]c2ccccc2n1CC(=O)N1CCc2ccccc2C1 ZINC000003412247 204099154 /nfs/dbraw/zinc/09/91/54/204099154.db2.gz UWJZRTBNCXDJLS-UHFFFAOYSA-N 1 2 362.477 3.833 50 0 FHAALO O=C(Cn1c2ccccc2[nH+]c1NCCO)c1ccc(Cl)c(Cl)c1 ZINC000004599225 204149133 /nfs/dbraw/zinc/14/91/33/204149133.db2.gz RBXLUSXGJVJVMP-UHFFFAOYSA-N 1 2 364.232 3.630 50 0 FHAALO COc1cc2c(cc1OC)[C@H](C)[N@H+](CC(=O)Nc1ccc(C)c(C)c1)CC2 ZINC000005450778 204209227 /nfs/dbraw/zinc/20/92/27/204209227.db2.gz ASWJAALUTIYYKY-INIZCTEOSA-N 1 2 368.477 3.878 50 0 FHAALO COc1cc2c(cc1OC)[C@H](C)[N@@H+](CC(=O)Nc1ccc(C)c(C)c1)CC2 ZINC000005450778 204209231 /nfs/dbraw/zinc/20/92/31/204209231.db2.gz ASWJAALUTIYYKY-INIZCTEOSA-N 1 2 368.477 3.878 50 0 FHAALO CCCc1cc(NCCCn2cc[nH+]c2)n2nc3nc(C)cc(C)c3c2n1 ZINC000005208444 204197034 /nfs/dbraw/zinc/19/70/34/204197034.db2.gz KZUNTRKMYMXAOD-UHFFFAOYSA-N 1 2 363.469 3.546 50 0 FHAALO C[C@@H](C(=O)NC1CCCCC1)[N@H+](C)CC(=O)Nc1cccc2ccccc21 ZINC000007267757 204292873 /nfs/dbraw/zinc/29/28/73/204292873.db2.gz IDBUAMXNSINLNM-INIZCTEOSA-N 1 2 367.493 3.548 50 0 FHAALO C[C@@H](C(=O)NC1CCCCC1)[N@@H+](C)CC(=O)Nc1cccc2ccccc21 ZINC000007267757 204292878 /nfs/dbraw/zinc/29/28/78/204292878.db2.gz IDBUAMXNSINLNM-INIZCTEOSA-N 1 2 367.493 3.548 50 0 FHAALO C[N@H+](CC(=O)Nc1ccccc1C(=O)c1ccccc1)Cc1ccccc1 ZINC000007785790 204308172 /nfs/dbraw/zinc/30/81/72/204308172.db2.gz CAYOTHYMSGZETO-UHFFFAOYSA-N 1 2 358.441 3.988 50 0 FHAALO C[N@@H+](CC(=O)Nc1ccccc1C(=O)c1ccccc1)Cc1ccccc1 ZINC000007785790 204308174 /nfs/dbraw/zinc/30/81/74/204308174.db2.gz CAYOTHYMSGZETO-UHFFFAOYSA-N 1 2 358.441 3.988 50 0 FHAALO Cc1ccc(Nc2nn(C[N@@H+]3CCC[C@@H](O)C3)c(=S)s2)cc1Cl ZINC000008993961 204351966 /nfs/dbraw/zinc/35/19/66/204351966.db2.gz RAWNVEIIEWPXGI-GFCCVEGCSA-N 1 2 370.931 3.794 50 0 FHAALO Cc1ccc(Nc2nn(C[N@H+]3CCC[C@@H](O)C3)c(=S)s2)cc1Cl ZINC000008993961 204351968 /nfs/dbraw/zinc/35/19/68/204351968.db2.gz RAWNVEIIEWPXGI-GFCCVEGCSA-N 1 2 370.931 3.794 50 0 FHAALO Cn1cc[nH+]c1[C@@H](NC(=O)Cc1c(F)cccc1Cl)c1ccccc1 ZINC000009156638 204356847 /nfs/dbraw/zinc/35/68/47/204356847.db2.gz HNQVHKGKMATYDH-SFHVURJKSA-N 1 2 357.816 3.661 50 0 FHAALO c1cc(-c2nnc(Nc3ccc([NH+]4CCCC4)cc3)o2)cc2c1OCO2 ZINC000009365189 204365196 /nfs/dbraw/zinc/36/51/96/204365196.db2.gz TVLVJPVECRLPCR-UHFFFAOYSA-N 1 2 350.378 3.809 50 0 FHAALO Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)ccc1N1CCCC1 ZINC000009367900 204365940 /nfs/dbraw/zinc/36/59/40/204365940.db2.gz BYRONGBDZFMHSM-OAHLLOKOSA-N 1 2 369.431 3.808 50 0 FHAALO Cc1cc(NC(=O)C[N@H+]2CCC[C@@H](C(F)(F)F)C2)ccc1N1CCCC1 ZINC000009367900 204365944 /nfs/dbraw/zinc/36/59/44/204365944.db2.gz BYRONGBDZFMHSM-OAHLLOKOSA-N 1 2 369.431 3.808 50 0 FHAALO COc1cccc([C@H](NC(=O)Cc2ccc(Cl)cc2)c2[nH+]ccn2C)c1 ZINC000009466605 204369489 /nfs/dbraw/zinc/36/94/89/204369489.db2.gz BLIVKWTUNRXWDE-IBGZPJMESA-N 1 2 369.852 3.530 50 0 FHAALO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc(C(C)=O)cc2)cc1 ZINC000009577653 204374171 /nfs/dbraw/zinc/37/41/71/204374171.db2.gz JKAGGHZYULTRBV-FQEVSTJZSA-N 1 2 352.434 3.673 50 0 FHAALO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc(C(C)=O)cc2)cc1 ZINC000009577653 204374176 /nfs/dbraw/zinc/37/41/76/204374176.db2.gz JKAGGHZYULTRBV-FQEVSTJZSA-N 1 2 352.434 3.673 50 0 FHAALO COc1ccc(C[NH2+][C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)cn1 ZINC000010185660 204391713 /nfs/dbraw/zinc/39/17/13/204391713.db2.gz FLYPHYWHYGVNCL-FQEVSTJZSA-N 1 2 365.408 3.699 50 0 FHAALO COc1ccccc1[C@@H](NC(=O)Nc1ccc(C)cc1)c1[nH+]ccn1C ZINC000012531639 204470719 /nfs/dbraw/zinc/47/07/19/204470719.db2.gz SIDZCAHNWNITDI-GOSISDBHSA-N 1 2 350.422 3.648 50 0 FHAALO CC(C)COC[C@H](O)C[N@H+](Cc1ccco1)Cc1ccc(F)cc1F ZINC000036104044 205004629 /nfs/dbraw/zinc/00/46/29/205004629.db2.gz JZSPSFIZNUBZRI-QGZVFWFLSA-N 1 2 353.409 3.594 50 0 FHAALO CC(C)COC[C@H](O)C[N@@H+](Cc1ccco1)Cc1ccc(F)cc1F ZINC000036104044 205004633 /nfs/dbraw/zinc/00/46/33/205004633.db2.gz JZSPSFIZNUBZRI-QGZVFWFLSA-N 1 2 353.409 3.594 50 0 FHAALO O[C@H](COCc1ccco1)C[N@H+](Cc1ccco1)Cc1ccccc1F ZINC000036102963 205005952 /nfs/dbraw/zinc/00/59/52/205005952.db2.gz RJPALVUYHPIFBT-KRWDZBQOSA-N 1 2 359.397 3.592 50 0 FHAALO O[C@H](COCc1ccco1)C[N@@H+](Cc1ccco1)Cc1ccccc1F ZINC000036102963 205005953 /nfs/dbraw/zinc/00/59/53/205005953.db2.gz RJPALVUYHPIFBT-KRWDZBQOSA-N 1 2 359.397 3.592 50 0 FHAALO c1sc2ncnc(SCC[NH+]3CCOCC3)c2c1-c1ccccc1 ZINC000036646071 205019602 /nfs/dbraw/zinc/01/96/02/205019602.db2.gz SKWRURBFKLCNLH-UHFFFAOYSA-N 1 2 357.504 3.783 50 0 FHAALO Cn1cc[nH+]c1CNC(=O)C[C@@H](c1cccc(O)c1)c1ccccc1Cl ZINC000039379831 205044349 /nfs/dbraw/zinc/04/43/49/205044349.db2.gz VPULOEHMNJRQGI-KRWDZBQOSA-N 1 2 369.852 3.618 50 0 FHAALO CC[C@@H](C)CNC(=O)C[N@H+]1Cc2ccccc2O[C@H](c2ccccc2)C1 ZINC000039355368 205044798 /nfs/dbraw/zinc/04/47/98/205044798.db2.gz QXJJCLHDOFHKPN-UTKZUKDTSA-N 1 2 352.478 3.785 50 0 FHAALO CC[C@@H](C)CNC(=O)C[N@@H+]1Cc2ccccc2O[C@H](c2ccccc2)C1 ZINC000039355368 205044801 /nfs/dbraw/zinc/04/48/01/205044801.db2.gz QXJJCLHDOFHKPN-UTKZUKDTSA-N 1 2 352.478 3.785 50 0 FHAALO COC(=O)C[N@H+](C)Cc1cn(-c2cc(C)ccc2C)nc1-c1ccccc1 ZINC000039447009 205046431 /nfs/dbraw/zinc/04/64/31/205046431.db2.gz WPSZVJSBDBKXFC-UHFFFAOYSA-N 1 2 363.461 3.761 50 0 FHAALO COC(=O)C[N@@H+](C)Cc1cn(-c2cc(C)ccc2C)nc1-c1ccccc1 ZINC000039447009 205046434 /nfs/dbraw/zinc/04/64/34/205046434.db2.gz WPSZVJSBDBKXFC-UHFFFAOYSA-N 1 2 363.461 3.761 50 0 FHAALO C[N@@H+]1CCN(C(=O)c2csc(-c3ccccc3)n2)[C@H](c2ccccc2)C1 ZINC000040013015 205049975 /nfs/dbraw/zinc/04/99/75/205049975.db2.gz NHQUYZGUBFFKNX-IBGZPJMESA-N 1 2 363.486 3.939 50 0 FHAALO C[N@H+]1CCN(C(=O)c2csc(-c3ccccc3)n2)[C@H](c2ccccc2)C1 ZINC000040013015 205049979 /nfs/dbraw/zinc/04/99/79/205049979.db2.gz NHQUYZGUBFFKNX-IBGZPJMESA-N 1 2 363.486 3.939 50 0 FHAALO COc1cc(C(=O)Nc2ccc3[nH]c(C(C)C)[nH+]c3c2)cc(OC)c1OC ZINC000040267539 205064380 /nfs/dbraw/zinc/06/43/80/205064380.db2.gz JDXHZDXQPXSNTN-UHFFFAOYSA-N 1 2 369.421 3.964 50 0 FHAALO O=C(CCC1CCCC1)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000045769467 205125314 /nfs/dbraw/zinc/12/53/14/205125314.db2.gz GYOCGLASDHFAID-UHFFFAOYSA-N 1 2 374.916 3.602 50 0 FHAALO COc1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2nc3ccccc3s2)cc1 ZINC000052714368 205187875 /nfs/dbraw/zinc/18/78/75/205187875.db2.gz PRCSQHXHJRMEOD-QGZVFWFLSA-N 1 2 367.474 3.908 50 0 FHAALO COc1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2nc3ccccc3s2)cc1 ZINC000052714368 205187880 /nfs/dbraw/zinc/18/78/80/205187880.db2.gz PRCSQHXHJRMEOD-QGZVFWFLSA-N 1 2 367.474 3.908 50 0 FHAALO Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCc2ccc(N(C)C)[nH+]c2)c1 ZINC000048364514 205160884 /nfs/dbraw/zinc/16/08/84/205160884.db2.gz YIIPCQYBUZUTOP-MRXNPFEDSA-N 1 2 355.482 3.663 50 0 FHAALO Cc1cc(C(=O)C[NH+]2CCC(O)CC2)c(C)n1CCc1ccc(Cl)cc1 ZINC000049967954 205176440 /nfs/dbraw/zinc/17/64/40/205176440.db2.gz RDJXDEMNRRCZKF-UHFFFAOYSA-N 1 2 374.912 3.640 50 0 FHAALO O=C1OCC[C@@H]1[NH2+]C[C@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000057293267 205237386 /nfs/dbraw/zinc/23/73/86/205237386.db2.gz IYPVYUWXWJFWSS-KXBFYZLASA-N 1 2 354.837 3.858 50 0 FHAALO COc1cccc(NC(=S)N2CCC[N@H+](Cc3ccc(F)cc3)C2)c1 ZINC000058096403 205249554 /nfs/dbraw/zinc/24/95/54/205249554.db2.gz CVPTVBGYYWRXAP-UHFFFAOYSA-N 1 2 359.470 3.697 50 0 FHAALO COc1cccc(NC(=S)N2CCC[N@@H+](Cc3ccc(F)cc3)C2)c1 ZINC000058096403 205249560 /nfs/dbraw/zinc/24/95/60/205249560.db2.gz CVPTVBGYYWRXAP-UHFFFAOYSA-N 1 2 359.470 3.697 50 0 FHAALO OCCCc1[nH+]c2ccccc2n1C[C@@H](O)c1ccccc1C(F)(F)F ZINC000058160921 205251761 /nfs/dbraw/zinc/25/17/61/205251761.db2.gz HHDOTQJHDAWDFD-QGZVFWFLSA-N 1 2 364.367 3.714 50 0 FHAALO CCc1[nH+]c2cc3c(cc2n1CC(=O)Nc1cccc(C)c1C)OCCO3 ZINC000064795121 205304409 /nfs/dbraw/zinc/30/44/09/205304409.db2.gz NSMSJAPNHVHFCU-UHFFFAOYSA-N 1 2 365.433 3.625 50 0 FHAALO CCOC(=O)C1CC[NH+]([C@H](C)C(=O)c2c(C)[nH]c3cc(C)ccc32)CC1 ZINC000059866374 205282447 /nfs/dbraw/zinc/28/24/47/205282447.db2.gz ZOTSXTWPWNFHMW-OAHLLOKOSA-N 1 2 356.466 3.631 50 0 FHAALO COc1cc(-c2nc(C[N@H+](C)[C@@H](C)c3ccncn3)c(C)o2)ccc1F ZINC000059855042 205282840 /nfs/dbraw/zinc/28/28/40/205282840.db2.gz MISZQUXHEZZVBD-LBPRGKRZSA-N 1 2 356.401 3.781 50 0 FHAALO COc1cc(-c2nc(C[N@@H+](C)[C@@H](C)c3ccncn3)c(C)o2)ccc1F ZINC000059855042 205282843 /nfs/dbraw/zinc/28/28/43/205282843.db2.gz MISZQUXHEZZVBD-LBPRGKRZSA-N 1 2 356.401 3.781 50 0 FHAALO COc1ccccc1C[N@@H+]1CCOc2c(O)cc(-c3cccnc3)cc2C1 ZINC000064157716 205297533 /nfs/dbraw/zinc/29/75/33/205297533.db2.gz TXKCAIYSHDMYNW-UHFFFAOYSA-N 1 2 362.429 3.857 50 0 FHAALO COc1ccccc1C[N@H+]1CCOc2c(O)cc(-c3cccnc3)cc2C1 ZINC000064157716 205297536 /nfs/dbraw/zinc/29/75/36/205297536.db2.gz TXKCAIYSHDMYNW-UHFFFAOYSA-N 1 2 362.429 3.857 50 0 FHAALO C[C@H]1C[N@H+](Cc2ccn(-c3cccc(F)c3)n2)C[C@H](c2ccccc2)O1 ZINC000064557914 205300247 /nfs/dbraw/zinc/30/02/47/205300247.db2.gz IBKZXKUXGOFREK-HRAATJIYSA-N 1 2 351.425 3.973 50 0 FHAALO C[C@H]1C[N@@H+](Cc2ccn(-c3cccc(F)c3)n2)C[C@H](c2ccccc2)O1 ZINC000064557914 205300250 /nfs/dbraw/zinc/30/02/50/205300250.db2.gz IBKZXKUXGOFREK-HRAATJIYSA-N 1 2 351.425 3.973 50 0 FHAALO CCCNc1cc(N2CCC[C@@H](CCC(=O)N3CCCCCC3)C2)nc[nH+]1 ZINC000065244921 205328933 /nfs/dbraw/zinc/32/89/33/205328933.db2.gz PWAATPZDIUSYDR-SFHVURJKSA-N 1 2 373.545 3.698 50 0 FHAALO CCCNc1cc(N2CCC[C@@H](CCC(=O)N3CCCCCC3)C2)[nH+]cn1 ZINC000065244921 205328938 /nfs/dbraw/zinc/32/89/38/205328938.db2.gz PWAATPZDIUSYDR-SFHVURJKSA-N 1 2 373.545 3.698 50 0 FHAALO CCN(CC)c1cc(CCC(=O)Nc2ccc(OC)c(OC)c2)cc[nH+]1 ZINC000065269942 205332536 /nfs/dbraw/zinc/33/25/36/205332536.db2.gz XNBBVBSOIGVHGK-UHFFFAOYSA-N 1 2 357.454 3.516 50 0 FHAALO COC(=O)Cn1c[nH+]c(-c2ccccc2)c1C[C@@H](C)CCCC(C)(C)O ZINC000065423301 205350695 /nfs/dbraw/zinc/35/06/95/205350695.db2.gz IOIOYSXXVGSGIO-INIZCTEOSA-N 1 2 358.482 3.843 50 0 FHAALO Cc1nn2cc(Cn3c[nH+]c(-c4ccccc4)c3[C@H]3CCOC3)nc2s1 ZINC000065372489 205342242 /nfs/dbraw/zinc/34/22/42/205342242.db2.gz KCRDHVAXZMXTAZ-HNNXBMFYSA-N 1 2 365.462 3.515 50 0 FHAALO Cn1cc[nH+]c1CN(Cc1cccc(C(=O)Nc2ccccc2)c1)C1CC1 ZINC000065395619 205345330 /nfs/dbraw/zinc/34/53/30/205345330.db2.gz KQHCZOJPQGTZGV-UHFFFAOYSA-N 1 2 360.461 3.837 50 0 FHAALO CCc1nccc(CN2CCc3[nH+]c[nH]c3[C@@H]2c2ccc(Cl)s2)n1 ZINC000067446777 205371643 /nfs/dbraw/zinc/37/16/43/205371643.db2.gz ZZQGTSVGLYLJCQ-KRWDZBQOSA-N 1 2 359.886 3.625 50 0 FHAALO c1cc(C[N@@H+]2CCC[C@@H]2c2nc(-c3ccncc3)no2)n(-c2ccccc2)n1 ZINC000067447215 205372629 /nfs/dbraw/zinc/37/26/29/205372629.db2.gz NDKRKKGXNKKUBC-LJQANCHMSA-N 1 2 372.432 3.654 50 0 FHAALO c1cc(C[N@H+]2CCC[C@@H]2c2nc(-c3ccncc3)no2)n(-c2ccccc2)n1 ZINC000067447215 205372633 /nfs/dbraw/zinc/37/26/33/205372633.db2.gz NDKRKKGXNKKUBC-LJQANCHMSA-N 1 2 372.432 3.654 50 0 FHAALO CC(=O)NCCc1cn(Cc2nc(-c3ccc4ccccc4c3)oc2C)c[nH+]1 ZINC000067559113 205374275 /nfs/dbraw/zinc/37/42/75/205374275.db2.gz MWDFWPLJWXAJCP-UHFFFAOYSA-N 1 2 374.444 3.727 50 0 FHAALO CN(CCc1ccccn1)c1[nH+]cccc1CNc1cnc2ccccc2n1 ZINC000067675788 205381578 /nfs/dbraw/zinc/38/15/78/205381578.db2.gz BCARTUIKBYVOFG-UHFFFAOYSA-N 1 2 370.460 3.711 50 0 FHAALO Cc1c(O)cccc1C(=O)NCc1ccc[nH+]c1N(C)C1CCCCC1 ZINC000067676045 205382669 /nfs/dbraw/zinc/38/26/69/205382669.db2.gz PFBKNGRZEJCCGR-UHFFFAOYSA-N 1 2 353.466 3.795 50 0 FHAALO Cc1c([C@@H]2c3[nH]c[nH+]c3CCN2Cc2c(Cl)ccc(C)c2F)cnn1C ZINC000067727132 205387232 /nfs/dbraw/zinc/38/72/32/205387232.db2.gz MXAVHEVTAYZTMO-LJQANCHMSA-N 1 2 373.863 3.700 50 0 FHAALO CCC[C@H]1C=CCN1C(=O)c1cc(Cn2c[nH+]c3cc(C)c(C)cc32)n[nH]1 ZINC000067741902 205387366 /nfs/dbraw/zinc/38/73/66/205387366.db2.gz OMSFXJSYKQQGHB-KRWDZBQOSA-N 1 2 363.465 3.605 50 0 FHAALO Cc1nc(N2Cc3cnn(Cc4ccc(F)cc4)c3C2)cc(C(C)C)[nH+]1 ZINC000067725979 205387399 /nfs/dbraw/zinc/38/73/99/205387399.db2.gz FGKAQEVAFAFDIV-UHFFFAOYSA-N 1 2 351.429 3.813 50 0 FHAALO C[C@H](c1nccs1)N(C)C(=O)c1cc(C[N@H+](C)Cc2ccccc2)on1 ZINC000067804734 205391691 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50 0 FHAALO O=C(Cc1ccc(O)c(Cl)c1)N1CCC(c2[nH+]ccn2CC2CC2)CC1 ZINC000095506306 570464490 /nfs/dbraw/zinc/46/44/90/570464490.db2.gz NVNWRCOBDDXBNW-UHFFFAOYSA-N 1 2 373.884 3.601 50 0 FHAALO Cc1ccc(C(=O)N2CCC(c3[nH+]ccn3Cc3ccncc3)CC2)cc1C ZINC000095516588 570466191 /nfs/dbraw/zinc/46/61/91/570466191.db2.gz NRCPSJTWELIYPJ-UHFFFAOYSA-N 1 2 374.488 3.963 50 0 FHAALO O=C(c1ccc2ncccc2c1)N1CCC[C@@H](c2[nH+]ccn2CC2CC2)C1 ZINC000095530364 570469812 /nfs/dbraw/zinc/46/98/12/570469812.db2.gz OQDKUWRVWCTQIH-LJQANCHMSA-N 1 2 360.461 3.861 50 0 FHAALO CSCCc1nc(Cc2ccc3[nH]c(C)[nH+]c3c2)n(CC(F)(F)F)n1 ZINC000096141153 570476869 /nfs/dbraw/zinc/47/68/69/570476869.db2.gz UWTHZZQMOUHMRO-UHFFFAOYSA-N 1 2 369.416 3.521 50 0 FHAALO CSCCc1nc(Cc2ccc3[nH+]c(C)[nH]c3c2)n(CC(F)(F)F)n1 ZINC000096141153 570476871 /nfs/dbraw/zinc/47/68/71/570476871.db2.gz UWTHZZQMOUHMRO-UHFFFAOYSA-N 1 2 369.416 3.521 50 0 FHAALO Cc1cc(OC(F)F)ccc1NC(=O)NCc1c[nH+]cn1CC(C)C ZINC000096150833 570477664 /nfs/dbraw/zinc/47/76/64/570477664.db2.gz RHVFNAAMAHEIGE-UHFFFAOYSA-N 1 2 352.385 3.771 50 0 FHAALO CCCC[C@H](c1cccnc1)N(C)C(=O)Cc1c[nH+]c2c(C)cccn12 ZINC000097732994 570493757 /nfs/dbraw/zinc/49/37/57/570493757.db2.gz LLNXPRHOIIVVJP-LJQANCHMSA-N 1 2 350.466 3.970 50 0 FHAALO O=C([C@@H]1CCCN(c2cccc[nH+]2)C1)N1CCC2(C=Cc3ccccc32)CC1 ZINC000097775991 570494620 /nfs/dbraw/zinc/49/46/20/570494620.db2.gz AXMSMMIYQMVFLD-HXUWFJFHSA-N 1 2 373.500 3.885 50 0 FHAALO O=C([C@H]1CCCN(c2cccc[nH+]2)C1)N1CCC2(C=Cc3ccccc32)CC1 ZINC000097775992 570494669 /nfs/dbraw/zinc/49/46/69/570494669.db2.gz AXMSMMIYQMVFLD-FQEVSTJZSA-N 1 2 373.500 3.885 50 0 FHAALO CCOc1ccc(C[NH2+]Cc2nc(C)n(-c3ccc(Cl)cc3)n2)cc1 ZINC000098212042 570498081 /nfs/dbraw/zinc/49/80/81/570498081.db2.gz IGBZZTKFEWCHBN-UHFFFAOYSA-N 1 2 356.857 3.918 50 0 FHAALO O=C(CC1=CSC2=[NH+]CCN12)N1CCC[C@H](CCc2ccc(F)cc2)C1 ZINC000102605836 570516063 /nfs/dbraw/zinc/51/60/63/570516063.db2.gz ZKGWNSSOAIQVJT-MRXNPFEDSA-N 1 2 373.497 3.647 50 0 FHAALO COc1cc2c(cc1O)CC[N@H+](CC(=O)c1c[nH]c3ccccc13)[C@@H]2C ZINC000034688079 570528454 /nfs/dbraw/zinc/52/84/54/570528454.db2.gz LLVSVKHRBSSHMR-CYBMUJFWSA-N 1 2 350.418 3.684 50 0 FHAALO COc1cc2c(cc1O)CC[N@@H+](CC(=O)c1c[nH]c3ccccc13)[C@@H]2C ZINC000034688079 570528462 /nfs/dbraw/zinc/52/84/62/570528462.db2.gz LLVSVKHRBSSHMR-CYBMUJFWSA-N 1 2 350.418 3.684 50 0 FHAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)N(C)CC3CCC3)csc2C1 ZINC000426503502 570613455 /nfs/dbraw/zinc/61/34/55/570613455.db2.gz WQVUGPJVUGOLRM-UHFFFAOYSA-N 1 2 373.522 3.783 50 0 FHAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)N(C)CC3CCC3)csc2C1 ZINC000426503502 570613456 /nfs/dbraw/zinc/61/34/56/570613456.db2.gz WQVUGPJVUGOLRM-UHFFFAOYSA-N 1 2 373.522 3.783 50 0 FHAALO c1ccc(COC2CC[NH+](Cc3nc(Cc4ccccc4)no3)CC2)cc1 ZINC000012000634 570713953 /nfs/dbraw/zinc/71/39/53/570713953.db2.gz NXGKSWRAXPOIDJ-UHFFFAOYSA-N 1 2 363.461 3.842 50 0 FHAALO Fc1cc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c2c(c1)COCO2 ZINC000012635498 570755166 /nfs/dbraw/zinc/75/51/66/570755166.db2.gz HOMNHLKAPMAQAL-UHFFFAOYSA-N 1 2 362.832 3.668 50 0 FHAALO C[N@H+](Cc1ccc(Cl)s1)[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000012849881 570765691 /nfs/dbraw/zinc/76/56/91/570765691.db2.gz GFXTZKNTTJXMRV-MRXNPFEDSA-N 1 2 352.862 3.992 50 0 FHAALO C[N@@H+](Cc1ccc(Cl)s1)[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000012849881 570765695 /nfs/dbraw/zinc/76/56/95/570765695.db2.gz GFXTZKNTTJXMRV-MRXNPFEDSA-N 1 2 352.862 3.992 50 0 FHAALO CCOC(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000013038429 570772483 /nfs/dbraw/zinc/77/24/83/570772483.db2.gz PNDIFIAKEIJXMF-NSHDSACASA-N 1 2 373.280 3.596 50 0 FHAALO Cc1nc2cc(Cl)ccc2cc1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000032690497 570772561 /nfs/dbraw/zinc/77/25/61/570772561.db2.gz BVORLSWXLFKFRM-UHFFFAOYSA-N 1 2 354.841 3.588 50 0 FHAALO Cc1ccc(-c2[nH]cc(CCNC(=O)Cc3ccc(Cl)cc3)[nH+]2)cc1 ZINC000013608043 570780855 /nfs/dbraw/zinc/78/08/55/570780855.db2.gz BERWKCLFKWDLMG-UHFFFAOYSA-N 1 2 353.853 3.940 50 0 FHAALO Cc1ccc(-c2[nH]c(CCNC(=O)Cc3ccc(Cl)cc3)c[nH+]2)cc1 ZINC000013608043 570780859 /nfs/dbraw/zinc/78/08/59/570780859.db2.gz BERWKCLFKWDLMG-UHFFFAOYSA-N 1 2 353.853 3.940 50 0 FHAALO O=C(CSc1[nH+][nH]cc2c3cc(F)ccc3nc1-2)Nc1ccccc1 ZINC000032752891 570792119 /nfs/dbraw/zinc/79/21/19/570792119.db2.gz AJZJQKBVWDCZAT-UHFFFAOYSA-N 1 2 352.394 3.981 50 0 FHAALO O=C(c1ccccc1)C1CC[NH+](Cn2c(=O)oc3cc(Cl)ccc32)CC1 ZINC000014134792 570807652 /nfs/dbraw/zinc/80/76/52/570807652.db2.gz CSMXZECOSHHALT-UHFFFAOYSA-N 1 2 370.836 3.800 50 0 FHAALO Cc1cc(C)n(-c2cc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c(-c3ccccc3)n2)n1 ZINC000018188249 570814293 /nfs/dbraw/zinc/81/42/93/570814293.db2.gz XBJDAUWGUXZRDP-CALCHBBNSA-N 1 2 363.465 3.560 50 0 FHAALO COc1ccc([C@@H]2CCC[N@@H+]2Cc2nc(N)c3ccccc3n2)c(OC)c1 ZINC000032851034 570821727 /nfs/dbraw/zinc/82/17/27/570821727.db2.gz PYJLQHNGTXBMCQ-SFHVURJKSA-N 1 2 364.449 3.566 50 0 FHAALO COc1ccc([C@@H]2CCC[N@H+]2Cc2nc(N)c3ccccc3n2)c(OC)c1 ZINC000032851034 570821729 /nfs/dbraw/zinc/82/17/29/570821729.db2.gz PYJLQHNGTXBMCQ-SFHVURJKSA-N 1 2 364.449 3.566 50 0 FHAALO CN(Cc1ccccc1)c1[nH+]cccc1CNC(=O)C[C@@H]1C[C@@H]2C=C[C@H]1C2 ZINC000014975324 570828127 /nfs/dbraw/zinc/82/81/27/570828127.db2.gz UNBIECATADFHHR-DYXWJJEUSA-N 1 2 361.489 3.937 50 0 FHAALO COc1ccc(Nc2ncc3c(n2)CC[N@@H+](Cc2ccc(F)cc2)C3)cc1 ZINC000015778907 570843918 /nfs/dbraw/zinc/84/39/18/570843918.db2.gz AKMQZSZOGQRUKW-UHFFFAOYSA-N 1 2 364.424 3.926 50 0 FHAALO COc1ccc(Nc2ncc3c(n2)CC[N@H+](Cc2ccc(F)cc2)C3)cc1 ZINC000015778907 570843921 /nfs/dbraw/zinc/84/39/21/570843921.db2.gz AKMQZSZOGQRUKW-UHFFFAOYSA-N 1 2 364.424 3.926 50 0 FHAALO C[C@@H]1CCC[C@@H](NC(=O)C2CCN(c3[nH]c4ccccc4[nH+]3)CC2)[C@H]1C ZINC000103886225 570853228 /nfs/dbraw/zinc/85/32/28/570853228.db2.gz GDNFFEAOZCRBBS-HLLBOEOZSA-N 1 2 354.498 3.720 50 0 FHAALO O=C(NC12CC3CC(CC(C3)C1)C2)N1CC[NH+](Cc2cccs2)CC1 ZINC000017074160 570866538 /nfs/dbraw/zinc/86/65/38/570866538.db2.gz ONGJVBLMZLUOMT-UHFFFAOYSA-N 1 2 359.539 3.544 50 0 FHAALO CCn1cc(C2N3CC4(CC)C[NH+]2CC(CC)(C3)C4=O)c2ccccc21 ZINC000019322797 570885837 /nfs/dbraw/zinc/88/58/37/570885837.db2.gz BIXZCGDSKGXFLQ-UHFFFAOYSA-N 1 2 351.494 3.667 50 0 FHAALO COc1cc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc(OC)c1 ZINC000019360128 570887619 /nfs/dbraw/zinc/88/76/19/570887619.db2.gz WIWCNXCJBFNQJZ-UHFFFAOYSA-N 1 2 360.885 3.675 50 0 FHAALO COc1cc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc(OC)c1 ZINC000019360128 570887621 /nfs/dbraw/zinc/88/76/21/570887621.db2.gz WIWCNXCJBFNQJZ-UHFFFAOYSA-N 1 2 360.885 3.675 50 0 FHAALO COc1cccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)c1OC ZINC000019781662 570902765 /nfs/dbraw/zinc/90/27/65/570902765.db2.gz HFEKDKYOFDLBPF-UHFFFAOYSA-N 1 2 360.885 3.675 50 0 FHAALO COc1cccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1OC ZINC000019781662 570902772 /nfs/dbraw/zinc/90/27/72/570902772.db2.gz HFEKDKYOFDLBPF-UHFFFAOYSA-N 1 2 360.885 3.675 50 0 FHAALO O=C(c1cccc(C(F)(F)F)c1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000020437805 570916184 /nfs/dbraw/zinc/91/61/84/570916184.db2.gz AYOIWWFJVVMSSO-UHFFFAOYSA-N 1 2 366.358 3.803 50 0 FHAALO Cc1c(Cl)cccc1-n1nnnc1[C@H]1c2ccccc2CC(C)(C)[N@@H+]1C ZINC000020478006 570917537 /nfs/dbraw/zinc/91/75/37/570917537.db2.gz UCDQYIIWFBHUAY-GOSISDBHSA-N 1 2 367.884 3.980 50 0 FHAALO Cc1c(Cl)cccc1-n1nnnc1[C@H]1c2ccccc2CC(C)(C)[N@H+]1C ZINC000020478006 570917540 /nfs/dbraw/zinc/91/75/40/570917540.db2.gz UCDQYIIWFBHUAY-GOSISDBHSA-N 1 2 367.884 3.980 50 0 FHAALO CC(C)Oc1ccc(NC(=O)c2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000020567856 570919958 /nfs/dbraw/zinc/91/99/58/570919958.db2.gz GROGPWNSKHHYLF-UHFFFAOYSA-N 1 2 354.450 3.558 50 0 FHAALO CCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CC[N@@H+](C)C3 ZINC000020842185 570926028 /nfs/dbraw/zinc/92/60/28/570926028.db2.gz GGEIBDPHTROCTM-UHFFFAOYSA-N 1 2 371.531 3.856 50 0 FHAALO CCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CC[N@H+](C)C3 ZINC000020842185 570926031 /nfs/dbraw/zinc/92/60/31/570926031.db2.gz GGEIBDPHTROCTM-UHFFFAOYSA-N 1 2 371.531 3.856 50 0 FHAALO COc1cccc(Nc2ncc3c(n2)CC[N@@H+](Cc2ccc(F)cc2)C3)c1 ZINC000021639380 570932368 /nfs/dbraw/zinc/93/23/68/570932368.db2.gz SWUBQDXDRFSQGB-UHFFFAOYSA-N 1 2 364.424 3.926 50 0 FHAALO COc1cccc(Nc2ncc3c(n2)CC[N@H+](Cc2ccc(F)cc2)C3)c1 ZINC000021639380 570932369 /nfs/dbraw/zinc/93/23/69/570932369.db2.gz SWUBQDXDRFSQGB-UHFFFAOYSA-N 1 2 364.424 3.926 50 0 FHAALO CN1CC[NH+](Cc2ccc(C(=O)c3cccc(C(F)(F)F)c3)cc2)CC1 ZINC000022027935 570937805 /nfs/dbraw/zinc/93/78/05/570937805.db2.gz WPVVKVIDYNUOFE-UHFFFAOYSA-N 1 2 362.395 3.684 50 0 FHAALO Cc1cc(N2CCN(C(=O)Nc3c(C)cccc3C)CC2)nc(C(C)C)[nH+]1 ZINC000043358175 570951611 /nfs/dbraw/zinc/95/16/11/570951611.db2.gz SVMUTCZKUSXRMF-UHFFFAOYSA-N 1 2 367.497 3.879 50 0 FHAALO Cc1ccccc1Nc1nc(N)nc(C[N@H+](C)Cc2ccc(Cl)cc2)n1 ZINC000023425518 570963791 /nfs/dbraw/zinc/96/37/91/570963791.db2.gz KNSLFDWFKKNCHR-UHFFFAOYSA-N 1 2 368.872 3.791 50 0 FHAALO Cc1ccccc1Nc1nc(N)nc(C[N@@H+](C)Cc2ccc(Cl)cc2)n1 ZINC000023425518 570963795 /nfs/dbraw/zinc/96/37/95/570963795.db2.gz KNSLFDWFKKNCHR-UHFFFAOYSA-N 1 2 368.872 3.791 50 0 FHAALO Cc1c2c(c(C)n1-c1ccccc1)[C@@]1([NH2+]CC2)c2cc(C)ccc2NC1=O ZINC000023882931 570968972 /nfs/dbraw/zinc/96/89/72/570968972.db2.gz IWMLGPZIDVRQJY-QHCPKHFHSA-N 1 2 357.457 3.744 50 0 FHAALO COc1ccc(C[N@H+](C)Cc2cnn(-c3ccccc3)c2)c(OC)c1OC ZINC000024952160 570986393 /nfs/dbraw/zinc/98/63/93/570986393.db2.gz ICDCTGULQQKZMC-UHFFFAOYSA-N 1 2 367.449 3.530 50 0 FHAALO COc1ccc(C[N@@H+](C)Cc2cnn(-c3ccccc3)c2)c(OC)c1OC ZINC000024952160 570986395 /nfs/dbraw/zinc/98/63/95/570986395.db2.gz ICDCTGULQQKZMC-UHFFFAOYSA-N 1 2 367.449 3.530 50 0 FHAALO Cc1cccn2cc(CSCC(=O)N3c4ccccc4C[C@H]3C)[nH+]c12 ZINC000024971513 570987396 /nfs/dbraw/zinc/98/73/96/570987396.db2.gz XTACLJDWIDYSCZ-OAHLLOKOSA-N 1 2 351.475 3.854 50 0 FHAALO Cc1cccn2cc(CSCC(=O)N3c4ccccc4C[C@@H]3C)[nH+]c12 ZINC000024971519 570987446 /nfs/dbraw/zinc/98/74/46/570987446.db2.gz XTACLJDWIDYSCZ-HNNXBMFYSA-N 1 2 351.475 3.854 50 0 FHAALO CC(C)c1noc(CSc2[nH+]cnc3c2cnn3-c2ccc(F)cc2)n1 ZINC000025055576 570989627 /nfs/dbraw/zinc/98/96/27/570989627.db2.gz KALOUYVQAGGESH-UHFFFAOYSA-N 1 2 370.413 3.753 50 0 FHAALO O=C(Nc1cccc(Cn2cc[nH+]c2)c1)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000025175132 570991979 /nfs/dbraw/zinc/99/19/79/570991979.db2.gz MVTSRAUUXIPVKO-GOSISDBHSA-N 1 2 353.809 3.527 50 0 FHAALO CCCCc1noc(C[N@@H+]2CCCC[C@H]2CNC(=O)Nc2ccccc2)n1 ZINC000026181963 571003514 /nfs/dbraw/zinc/00/35/14/571003514.db2.gz WCUJSRKZZASKLN-KRWDZBQOSA-N 1 2 371.485 3.588 50 0 FHAALO CCCCc1noc(C[N@H+]2CCCC[C@H]2CNC(=O)Nc2ccccc2)n1 ZINC000026181963 571003516 /nfs/dbraw/zinc/00/35/16/571003516.db2.gz WCUJSRKZZASKLN-KRWDZBQOSA-N 1 2 371.485 3.588 50 0 FHAALO COc1cccc(C[N@H+](C)Cc2cc(Cl)cc3c2OCOC3)c1OC ZINC000026330860 571004776 /nfs/dbraw/zinc/00/47/76/571004776.db2.gz UHGZWUNXRRHOAY-UHFFFAOYSA-N 1 2 363.841 3.856 50 0 FHAALO COc1cccc(C[N@@H+](C)Cc2cc(Cl)cc3c2OCOC3)c1OC ZINC000026330860 571004781 /nfs/dbraw/zinc/00/47/81/571004781.db2.gz UHGZWUNXRRHOAY-UHFFFAOYSA-N 1 2 363.841 3.856 50 0 FHAALO Cc1ccccc1C(=O)NC[C@H](c1ccc(C(C)C)cc1)[NH+]1CCOCC1 ZINC000028290935 571029957 /nfs/dbraw/zinc/02/99/57/571029957.db2.gz FIKKPFQBTIUJMI-JOCHJYFZSA-N 1 2 366.505 3.922 50 0 FHAALO COc1cccc(N2CC[NH+]([C@H](C)c3nnc(-c4ccccc4)o3)CC2)c1 ZINC000030963842 571053117 /nfs/dbraw/zinc/05/31/17/571053117.db2.gz PJAGNKDAKJWYPM-MRXNPFEDSA-N 1 2 364.449 3.628 50 0 FHAALO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ncc(C(C)(C)C)o1 ZINC000060269224 571081938 /nfs/dbraw/zinc/08/19/38/571081938.db2.gz YNKALABSQCPVTN-AWEZNQCLSA-N 1 2 351.491 3.851 50 0 FHAALO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ncc(C(C)(C)C)o1 ZINC000060269224 571081940 /nfs/dbraw/zinc/08/19/40/571081940.db2.gz YNKALABSQCPVTN-AWEZNQCLSA-N 1 2 351.491 3.851 50 0 FHAALO O=C(Nc1ccc(OC(F)F)cc1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000084475284 571086546 /nfs/dbraw/zinc/08/65/46/571086546.db2.gz FYGIJMZMPDYRPQ-UHFFFAOYSA-N 1 2 367.421 3.699 50 0 FHAALO CCN(CC)c1ccc(CNC(=O)N2CCC[C@H]2Cc2ccccc2)c[nH+]1 ZINC000069950552 571106260 /nfs/dbraw/zinc/10/62/60/571106260.db2.gz MXBBXUXDBAEYEG-FQEVSTJZSA-N 1 2 366.509 3.845 50 0 FHAALO CCOc1cc(C[NH2+][C@H](CC)c2ncnn2C)c(Cl)cc1OC(C)C ZINC000055576470 571121380 /nfs/dbraw/zinc/12/13/80/571121380.db2.gz XBYVLVDXSGPOID-OAHLLOKOSA-N 1 2 366.893 3.895 50 0 FHAALO CCOc1cc(C[NH2+][C@@H](CC)c2ncnn2C)c(Cl)cc1OC(C)C ZINC000055576468 571121402 /nfs/dbraw/zinc/12/14/02/571121402.db2.gz XBYVLVDXSGPOID-HNNXBMFYSA-N 1 2 366.893 3.895 50 0 FHAALO O=C(NC1CC1)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000071800789 571125797 /nfs/dbraw/zinc/12/57/97/571125797.db2.gz HRTNLAYVVCIMFI-UHFFFAOYSA-N 1 2 359.470 3.544 50 0 FHAALO C[N@H+](CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1)Cc1ccco1 ZINC000058191237 571128099 /nfs/dbraw/zinc/12/80/99/571128099.db2.gz WAAHJWKFZYNZJH-UHFFFAOYSA-N 1 2 369.446 3.664 50 0 FHAALO C[N@@H+](CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1)Cc1ccco1 ZINC000058191237 571128101 /nfs/dbraw/zinc/12/81/01/571128101.db2.gz WAAHJWKFZYNZJH-UHFFFAOYSA-N 1 2 369.446 3.664 50 0 FHAALO CSc1ccc(C[N@H+](C)Cc2nc3ccc(Cl)cc3c(=O)[nH]2)cc1 ZINC000012849204 571128270 /nfs/dbraw/zinc/12/82/70/571128270.db2.gz NOHTXMKKMPIMBF-UHFFFAOYSA-N 1 2 359.882 3.930 50 0 FHAALO CSc1ccc(C[N@@H+](C)Cc2nc3ccc(Cl)cc3c(=O)[nH]2)cc1 ZINC000012849204 571128273 /nfs/dbraw/zinc/12/82/73/571128273.db2.gz NOHTXMKKMPIMBF-UHFFFAOYSA-N 1 2 359.882 3.930 50 0 FHAALO Cc1nc2ccccc2nc1NC[C@H](c1cccc(F)c1)[NH+]1CCOCC1 ZINC000058356472 571131333 /nfs/dbraw/zinc/13/13/33/571131333.db2.gz BIHTUCXTOATEJY-HXUWFJFHSA-N 1 2 366.440 3.563 50 0 FHAALO Cc1ccc2[nH]c(C[NH+]3CCC([C@H](O)c4ccccn4)CC3)nc2c1C ZINC000252484312 571132204 /nfs/dbraw/zinc/13/22/04/571132204.db2.gz FUGDEZGSVJPNER-NRFANRHFSA-N 1 2 350.466 3.520 50 0 FHAALO Cc1ccc2nc(C[NH+]3CCC([C@H](O)c4ccccn4)CC3)[nH]c2c1C ZINC000252484312 571132205 /nfs/dbraw/zinc/13/22/05/571132205.db2.gz FUGDEZGSVJPNER-NRFANRHFSA-N 1 2 350.466 3.520 50 0 FHAALO Cc1ccc(CNC(=O)[C@H]2CCCN(c3[nH]c4ccc(C)cc4[nH+]3)C2)cc1 ZINC000033071999 571153875 /nfs/dbraw/zinc/15/38/75/571153875.db2.gz QHHKNHQBDJESKQ-SFHVURJKSA-N 1 2 362.477 3.713 50 0 FHAALO Cc1ccc(CNC(=O)[C@H]2CCCN(c3[nH]c4cc(C)ccc4[nH+]3)C2)cc1 ZINC000033071999 571153877 /nfs/dbraw/zinc/15/38/77/571153877.db2.gz QHHKNHQBDJESKQ-SFHVURJKSA-N 1 2 362.477 3.713 50 0 FHAALO Cc1cccc(CNC(=O)C2CCN(c3ccc(-n4cccc4)c[nH+]3)CC2)c1 ZINC000033106200 571155717 /nfs/dbraw/zinc/15/57/17/571155717.db2.gz OTVCRHUXRRGMOH-UHFFFAOYSA-N 1 2 374.488 3.714 50 0 FHAALO CC(C)[C@@H]1C[N@H+](Cc2nccs2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071388613 571161092 /nfs/dbraw/zinc/16/10/92/571161092.db2.gz PTVDCFVPZOFEDX-KRWDZBQOSA-N 1 2 361.486 3.541 50 0 FHAALO CC(C)[C@@H]1C[N@@H+](Cc2nccs2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071388613 571161095 /nfs/dbraw/zinc/16/10/95/571161095.db2.gz PTVDCFVPZOFEDX-KRWDZBQOSA-N 1 2 361.486 3.541 50 0 FHAALO COc1ccc2n[nH]c(C[N@@H+]3CCO[C@@H](c4ccc(Cl)cc4)C3)c2c1 ZINC000071747548 571164318 /nfs/dbraw/zinc/16/43/18/571164318.db2.gz MMUQWFOLBIJNAG-LJQANCHMSA-N 1 2 357.841 3.798 50 0 FHAALO COc1ccc2n[nH]c(C[N@H+]3CCO[C@@H](c4ccc(Cl)cc4)C3)c2c1 ZINC000071747548 571164319 /nfs/dbraw/zinc/16/43/19/571164319.db2.gz MMUQWFOLBIJNAG-LJQANCHMSA-N 1 2 357.841 3.798 50 0 FHAALO CCn1cc(C[N@H+](C)Cc2nc(-c3ccc(OC)cc3F)oc2C)cn1 ZINC000071753317 571165133 /nfs/dbraw/zinc/16/51/33/571165133.db2.gz FROKBZKQOXAISN-UHFFFAOYSA-N 1 2 358.417 3.646 50 0 FHAALO CCn1cc(C[N@@H+](C)Cc2nc(-c3ccc(OC)cc3F)oc2C)cn1 ZINC000071753317 571165137 /nfs/dbraw/zinc/16/51/37/571165137.db2.gz FROKBZKQOXAISN-UHFFFAOYSA-N 1 2 358.417 3.646 50 0 FHAALO Cc1cc(C)c(OCC(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)c(C)c1 ZINC000012507410 571173212 /nfs/dbraw/zinc/17/32/12/571173212.db2.gz PQXOKPMNIKFVGL-FQEVSTJZSA-N 1 2 363.461 3.630 50 0 FHAALO FC(F)(F)c1nnc2ccc(Nc3ccc([NH+]4CCCCC4)cc3)nn21 ZINC000012516051 571173559 /nfs/dbraw/zinc/17/35/59/571173559.db2.gz LOWDABKQUVIQLL-UHFFFAOYSA-N 1 2 362.359 3.877 50 0 FHAALO COc1ccccc1[C@H](NC(=O)Nc1ccc(C)cc1)c1[nH+]ccn1C ZINC000012531641 571175154 /nfs/dbraw/zinc/17/51/54/571175154.db2.gz SIDZCAHNWNITDI-SFHVURJKSA-N 1 2 350.422 3.648 50 0 FHAALO Fc1ccc(C[N@@H+]2CCCN(Cc3cccc(-n4cccn4)c3)CC2)cc1 ZINC000072164884 571176451 /nfs/dbraw/zinc/17/64/51/571176451.db2.gz SJBNBKGWHWARHU-UHFFFAOYSA-N 1 2 364.468 3.719 50 0 FHAALO Fc1ccc(C[N@H+]2CCCN(Cc3cccc(-n4cccn4)c3)CC2)cc1 ZINC000072164884 571176452 /nfs/dbraw/zinc/17/64/52/571176452.db2.gz SJBNBKGWHWARHU-UHFFFAOYSA-N 1 2 364.468 3.719 50 0 FHAALO COc1cccc(-n2cc(C[N@H+](C)Cc3cc(C(C)(C)C)n[nH]3)cn2)c1 ZINC000072163728 571176489 /nfs/dbraw/zinc/17/64/89/571176489.db2.gz KHNZMUYUUTYDQC-UHFFFAOYSA-N 1 2 353.470 3.534 50 0 FHAALO COc1cccc(-n2cc(C[N@@H+](C)Cc3cc(C(C)(C)C)n[nH]3)cn2)c1 ZINC000072163728 571176490 /nfs/dbraw/zinc/17/64/90/571176490.db2.gz KHNZMUYUUTYDQC-UHFFFAOYSA-N 1 2 353.470 3.534 50 0 FHAALO Fc1ccc(-c2n[nH]cc2CN2CC[NH+](Cc3cccc(F)c3)CC2)cc1 ZINC000072172388 571177820 /nfs/dbraw/zinc/17/78/20/571177820.db2.gz YSGZMSFJSISPRT-UHFFFAOYSA-N 1 2 368.431 3.673 50 0 FHAALO Nc1nc(C[N@@H+]2CCC[C@@H]2c2cccs2)nc(Nc2ccccc2)n1 ZINC000012554878 571180755 /nfs/dbraw/zinc/18/07/55/571180755.db2.gz DQNWKKZRAQJZEU-CQSZACIVSA-N 1 2 352.467 3.596 50 0 FHAALO Nc1nc(C[N@H+]2CCC[C@@H]2c2cccs2)nc(Nc2ccccc2)n1 ZINC000012554878 571180756 /nfs/dbraw/zinc/18/07/56/571180756.db2.gz DQNWKKZRAQJZEU-CQSZACIVSA-N 1 2 352.467 3.596 50 0 FHAALO O=C(NCC[N@@H+]1CCO[C@H](c2ccccc2)C1)c1ccc2ccccc2c1 ZINC000023127762 571184353 /nfs/dbraw/zinc/18/43/53/571184353.db2.gz RIKPPOUZYUDXIQ-QFIPXVFZSA-N 1 2 360.457 3.643 50 0 FHAALO O=C(NCC[N@H+]1CCO[C@H](c2ccccc2)C1)c1ccc2ccccc2c1 ZINC000023127762 571184355 /nfs/dbraw/zinc/18/43/55/571184355.db2.gz RIKPPOUZYUDXIQ-QFIPXVFZSA-N 1 2 360.457 3.643 50 0 FHAALO Cc1ccc(O[C@@H](C)C(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(F)cc2)cc1 ZINC000012576826 571185284 /nfs/dbraw/zinc/18/52/84/571185284.db2.gz DEUAOYKCBQEOOZ-HNAYVOBHSA-N 1 2 367.424 3.541 50 0 FHAALO Cc1cc(NC(=O)N(C)[C@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)no1 ZINC000012574979 571185333 /nfs/dbraw/zinc/18/53/33/571185333.db2.gz TUCTUQIYVBQQEG-HNNXBMFYSA-N 1 2 359.817 3.623 50 0 FHAALO CC(C)(C)c1cc([C@H]2c3[nH]c[nH+]c3CCN2Cc2ccc(F)c(F)c2)[nH]n1 ZINC000072423241 571193545 /nfs/dbraw/zinc/19/35/45/571193545.db2.gz PUBTZCLVBJLXNJ-IBGZPJMESA-N 1 2 371.435 3.856 50 0 FHAALO O=C(CC1=CSC2=[NH+]CCN12)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000299764896 571194326 /nfs/dbraw/zinc/19/43/26/571194326.db2.gz VXTQTPKSXFVLDY-CQSZACIVSA-N 1 2 370.503 3.610 50 0 FHAALO Cc1ccsc1CN(C)C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000299781101 571198046 /nfs/dbraw/zinc/19/80/46/571198046.db2.gz ODRGXGGIWFPYJW-UHFFFAOYSA-N 1 2 359.495 3.553 50 0 FHAALO CCOC(=O)c1ccc(Cn2c3ccc(F)cc3c3c2CC[N@@H+](C)C3)cc1 ZINC000075567486 571200739 /nfs/dbraw/zinc/20/07/39/571200739.db2.gz RURBNFXDTDTSGQ-UHFFFAOYSA-N 1 2 366.436 3.993 50 0 FHAALO CCOC(=O)c1ccc(Cn2c3ccc(F)cc3c3c2CC[N@H+](C)C3)cc1 ZINC000075567486 571200740 /nfs/dbraw/zinc/20/07/40/571200740.db2.gz RURBNFXDTDTSGQ-UHFFFAOYSA-N 1 2 366.436 3.993 50 0 FHAALO O=C(c1ccccc1-c1[nH]cc[nH+]1)N1CCCN(c2ccc(F)cc2)CC1 ZINC000077288023 571206548 /nfs/dbraw/zinc/20/65/48/571206548.db2.gz ORFXBRBCGFVCPK-UHFFFAOYSA-N 1 2 364.424 3.568 50 0 FHAALO CC(C)CCN1c2ccccc2[C@@]2([NH2+]CCc3c4ccccc4[nH]c32)C1=O ZINC000020064196 571207971 /nfs/dbraw/zinc/20/79/71/571207971.db2.gz NLTXWWVPKVSZRQ-QHCPKHFHSA-N 1 2 359.473 3.950 50 0 FHAALO Cc1ccccc1OC1CCN(C(=O)NCc2c[nH+]cn2CC(C)C)CC1 ZINC000534673764 571209037 /nfs/dbraw/zinc/20/90/37/571209037.db2.gz HOYGCRPOSNQASH-UHFFFAOYSA-N 1 2 370.497 3.601 50 0 FHAALO Cc1ccc([C@@H](CNC(=O)c2cccc3ccccc32)[NH+]2CCOCC2)cc1 ZINC000023105840 571215783 /nfs/dbraw/zinc/21/57/83/571215783.db2.gz NCWNBHQZPGABEY-HSZRJFAPSA-N 1 2 374.484 3.952 50 0 FHAALO CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000426369823 571215973 /nfs/dbraw/zinc/21/59/73/571215973.db2.gz AKPKVGYWUQTINS-GOSISDBHSA-N 1 2 371.460 3.760 50 0 FHAALO Cn1ccnc1[C@H]([NH2+]CCc1cn2ccccc2n1)c1ccccc1Cl ZINC000097236449 571216909 /nfs/dbraw/zinc/21/69/09/571216909.db2.gz ZXAWHYPVPYIQSY-LJQANCHMSA-N 1 2 365.868 3.643 50 0 FHAALO O=C(Cc1cccc2ccccc21)NCC[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000023127758 571217405 /nfs/dbraw/zinc/21/74/05/571217405.db2.gz VYOUZAXJBVKPGK-QHCPKHFHSA-N 1 2 374.484 3.572 50 0 FHAALO O=C(Cc1cccc2ccccc21)NCC[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000023127758 571217409 /nfs/dbraw/zinc/21/74/09/571217409.db2.gz VYOUZAXJBVKPGK-QHCPKHFHSA-N 1 2 374.484 3.572 50 0 FHAALO Cc1nc2n(n1)C(=O)C([C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H](C)C1)S2 ZINC000023157449 571218875 /nfs/dbraw/zinc/21/88/75/571218875.db2.gz ZKQVYCGRFVCSRZ-ABAIWWIYSA-N 1 2 360.458 3.765 50 0 FHAALO Cc1nc2n(n1)C(=O)C([C@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H](C)C1)S2 ZINC000023157449 571218878 /nfs/dbraw/zinc/21/88/78/571218878.db2.gz ZKQVYCGRFVCSRZ-ABAIWWIYSA-N 1 2 360.458 3.765 50 0 FHAALO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cc3cccc(Cl)c3n2C)C1 ZINC000082083529 571227644 /nfs/dbraw/zinc/22/76/44/571227644.db2.gz KECGXQAOXFIALL-CQSZACIVSA-N 1 2 356.857 3.585 50 0 FHAALO CC(C)c1noc(C[N@@H+]2CCC[C@@H](c3nccn3Cc3ccccc3)C2)n1 ZINC000082121386 571228794 /nfs/dbraw/zinc/22/87/94/571228794.db2.gz CZWPUQMLYBYKJK-GOSISDBHSA-N 1 2 365.481 3.817 50 0 FHAALO CC(C)c1noc(C[N@H+]2CCC[C@@H](c3nccn3Cc3ccccc3)C2)n1 ZINC000082121386 571228795 /nfs/dbraw/zinc/22/87/95/571228795.db2.gz CZWPUQMLYBYKJK-GOSISDBHSA-N 1 2 365.481 3.817 50 0 FHAALO Cc1nc(C(=O)N2CCC[C@H](c3[nH+]ccn3Cc3ccccc3)C2)cs1 ZINC000082157780 571229556 /nfs/dbraw/zinc/22/95/56/571229556.db2.gz DWOUSJUQOKNOHS-KRWDZBQOSA-N 1 2 366.490 3.716 50 0 FHAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)N3[C@H](C)CC[C@@H]3C)csc2C1 ZINC000426598909 571233057 /nfs/dbraw/zinc/23/30/57/571233057.db2.gz OYJXUSNOVVBKFJ-BETUJISGSA-N 1 2 373.522 3.924 50 0 FHAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)N3[C@H](C)CC[C@@H]3C)csc2C1 ZINC000426598909 571233058 /nfs/dbraw/zinc/23/30/58/571233058.db2.gz OYJXUSNOVVBKFJ-BETUJISGSA-N 1 2 373.522 3.924 50 0 FHAALO Cc1cc([N-][NH+]=Cc2ccc(N(C)C)cc2)nc(NCc2ccccc2)[nH+]1 ZINC000013143917 571258442 /nfs/dbraw/zinc/25/84/42/571258442.db2.gz CYJFBURBBCQKBM-UHFFFAOYSA-N 1 2 360.465 3.909 50 0 FHAALO Fc1ccc(C[N@@H+]2CCCC[C@H]2c2nc(-c3cnccn3)no2)cc1F ZINC000065286287 571260200 /nfs/dbraw/zinc/26/02/00/571260200.db2.gz FGFKFJFOQREMGE-INIZCTEOSA-N 1 2 357.364 3.532 50 0 FHAALO Fc1ccc(C[N@H+]2CCCC[C@H]2c2nc(-c3cnccn3)no2)cc1F ZINC000065286287 571260201 /nfs/dbraw/zinc/26/02/01/571260201.db2.gz FGFKFJFOQREMGE-INIZCTEOSA-N 1 2 357.364 3.532 50 0 FHAALO Fc1ccc(C[N@@H+]2CCCC[C@@H]2c2nc(-c3cnccn3)no2)cc1F ZINC000065286285 571260206 /nfs/dbraw/zinc/26/02/06/571260206.db2.gz FGFKFJFOQREMGE-MRXNPFEDSA-N 1 2 357.364 3.532 50 0 FHAALO Fc1ccc(C[N@H+]2CCCC[C@@H]2c2nc(-c3cnccn3)no2)cc1F ZINC000065286285 571260207 /nfs/dbraw/zinc/26/02/07/571260207.db2.gz FGFKFJFOQREMGE-MRXNPFEDSA-N 1 2 357.364 3.532 50 0 FHAALO C[C@@H](C(=O)Nc1ccc(Br)cc1F)[N@H+](C)Cc1ccco1 ZINC000014016668 571271482 /nfs/dbraw/zinc/27/14/82/571271482.db2.gz LOTNANCWIAHEOU-JTQLQIEISA-N 1 2 355.207 3.640 50 0 FHAALO C[C@@H](C(=O)Nc1ccc(Br)cc1F)[N@@H+](C)Cc1ccco1 ZINC000014016668 571271484 /nfs/dbraw/zinc/27/14/84/571271484.db2.gz LOTNANCWIAHEOU-JTQLQIEISA-N 1 2 355.207 3.640 50 0 FHAALO Fc1ccc(N2CC[NH+](Cc3cc(Cl)c4c(c3)OCCO4)CC2)cc1 ZINC000007905153 571292765 /nfs/dbraw/zinc/29/27/65/571292765.db2.gz PHSLMYWQRYCRMU-UHFFFAOYSA-N 1 2 362.832 3.573 50 0 FHAALO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2noc(-c3ccc(Cl)cc3)n2)[C@@H]1SC ZINC000253428332 571313261 /nfs/dbraw/zinc/31/32/61/571313261.db2.gz CURUZOYOSCXUCH-KAOXEZKKSA-N 1 2 367.902 3.950 50 0 FHAALO COCc1nc([C@@H]2CCCN(c3cccc[nH+]3)C2)n(C2CCCCC2)n1 ZINC000584889017 571314247 /nfs/dbraw/zinc/31/42/47/571314247.db2.gz HCQUFNYHCASUOI-MRXNPFEDSA-N 1 2 355.486 3.709 50 0 FHAALO CC(C)n1c2ccccc2nc1[C@@H]1CCCN1c1cc(-n2cc[nH+]c2)ncn1 ZINC000079048005 571326687 /nfs/dbraw/zinc/32/66/87/571326687.db2.gz BYYGNLMUCPRPSM-SFHVURJKSA-N 1 2 373.464 3.934 50 0 FHAALO Clc1cc(Cl)c2nc(CN3CCc4c([nH+]cn4C4CC4)C3)cn2c1 ZINC000095394562 571329267 /nfs/dbraw/zinc/32/92/67/571329267.db2.gz XQNGKARYNPIYCD-UHFFFAOYSA-N 1 2 362.264 3.731 50 0 FHAALO CC(C)C[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(F)c(F)c3)c2C1 ZINC000095455179 571330007 /nfs/dbraw/zinc/33/00/07/571330007.db2.gz PZITYWWXRCNLJV-UHFFFAOYSA-N 1 2 366.433 3.737 50 0 FHAALO CC(C)C[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(F)c(F)c3)c2C1 ZINC000095455179 571330008 /nfs/dbraw/zinc/33/00/08/571330008.db2.gz PZITYWWXRCNLJV-UHFFFAOYSA-N 1 2 366.433 3.737 50 0 FHAALO O=C(Nc1cccc(C(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)c1)c1cccs1 ZINC000095458562 571330138 /nfs/dbraw/zinc/33/01/38/571330138.db2.gz ZGRZQPFKPNJHHR-HNNXBMFYSA-N 1 2 366.446 3.701 50 0 FHAALO Cn1c[nH+]cc1Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1 ZINC000095466453 571330496 /nfs/dbraw/zinc/33/04/96/571330496.db2.gz IWIIOUHIIVGZFG-UHFFFAOYSA-N 1 2 356.838 3.629 50 0 FHAALO C[C@H](c1ccccn1)[NH+]1CCN(C(=O)[C@@H](C)Cc2ccccc2Cl)CC1 ZINC000095943194 571332458 /nfs/dbraw/zinc/33/24/58/571332458.db2.gz RDEZBZSFHJSBHJ-DLBZAZTESA-N 1 2 371.912 3.819 50 0 FHAALO O=C(N[C@H]1CCCc2ccccc21)C1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000021158575 571333308 /nfs/dbraw/zinc/33/33/08/571333308.db2.gz RCKDIFXWVDYDEC-IBGZPJMESA-N 1 2 374.488 3.973 50 0 FHAALO CCC[C@](C)([NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)C(=O)OC ZINC000095997162 571333669 /nfs/dbraw/zinc/33/36/69/571333669.db2.gz WEGZQUTWQNKXDK-KRWDZBQOSA-N 1 2 369.387 3.713 50 0 FHAALO O=C(N[C@H]1C[C@H]1c1cccc(Cl)c1Cl)c1cccc(-n2cc[nH+]c2)n1 ZINC000096008225 571333873 /nfs/dbraw/zinc/33/38/73/571333873.db2.gz JXMPOBPHEPDWRR-WFASDCNBSA-N 1 2 373.243 3.860 50 0 FHAALO O=C(N[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl)c1cccc(-n2cc[nH+]c2)n1 ZINC000096008228 571333897 /nfs/dbraw/zinc/33/38/97/571333897.db2.gz JXMPOBPHEPDWRR-IUODEOHRSA-N 1 2 373.243 3.860 50 0 FHAALO Cn1ncc2c1nc(N1CCCCC1)[nH+]c2NCc1cccc(Cl)c1 ZINC000021930228 571336218 /nfs/dbraw/zinc/33/62/18/571336218.db2.gz UPXMUOONDDNLSR-UHFFFAOYSA-N 1 2 356.861 3.619 50 0 FHAALO O=C(O[C@@H](c1cccc(F)c1)c1ccccn1)c1ccc(-n2cc[nH+]c2)nc1 ZINC000097164831 571336986 /nfs/dbraw/zinc/33/69/86/571336986.db2.gz FIYVMGXFKHHOOH-FQEVSTJZSA-N 1 2 374.375 3.748 50 0 FHAALO Cc1nnc([C@H]2Cc3ccccc3CN2Cc2cn3cccc(C)c3[nH+]2)o1 ZINC000058428035 571351425 /nfs/dbraw/zinc/35/14/25/571351425.db2.gz OXCVMQITNOLELV-LJQANCHMSA-N 1 2 359.433 3.634 50 0 FHAALO O=C(c1cccnc1)N1CC[NH+](Cc2ccc(-c3ccccc3)s2)CC1 ZINC000031938120 571354534 /nfs/dbraw/zinc/35/45/34/571354534.db2.gz BDYPNQDSUJBTNQ-UHFFFAOYSA-N 1 2 363.486 3.768 50 0 FHAALO O=C(N[C@@H]1CC[C@@H](Cc2ccccc2)C1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000333762677 945334654 /nfs/dbraw/zinc/33/46/54/945334654.db2.gz WBCXJDCVXZCPJO-GBESFXJTSA-N 1 2 352.482 3.710 50 0 FHAALO Cc1oc2nc(C[N@@H+]3CC[C@@H](Oc4cccc(Cl)c4)C3)nc(N)c2c1C ZINC000120405394 945489499 /nfs/dbraw/zinc/48/94/99/945489499.db2.gz SMKQSJFKKBHVAD-OAHLLOKOSA-N 1 2 372.856 3.729 50 0 FHAALO Cc1oc2nc(C[N@H+]3CC[C@@H](Oc4cccc(Cl)c4)C3)nc(N)c2c1C ZINC000120405394 945489507 /nfs/dbraw/zinc/48/95/07/945489507.db2.gz SMKQSJFKKBHVAD-OAHLLOKOSA-N 1 2 372.856 3.729 50 0 FHAALO O=C(NCCSc1ccc(Cl)cc1)NCCc1cn2ccccc2[nH+]1 ZINC000012544617 220005988 /nfs/dbraw/zinc/00/59/88/220005988.db2.gz ZRDUDRPDRSGCNF-UHFFFAOYSA-N 1 2 374.897 3.622 50 0 FHAALO Cn1c2ccccc2[nH+]c1N1CCN(C(=O)Nc2ccccc2Cl)CC1 ZINC000001370872 204002125 /nfs/dbraw/zinc/00/21/25/204002125.db2.gz IOQVVWHCSUJHPT-UHFFFAOYSA-N 1 2 369.856 3.581 50 0 FHAALO Cc1ccc(S(=O)(=O)NCCCCCc2[nH]c3ccccc3[nH+]2)cc1 ZINC000002022987 204024278 /nfs/dbraw/zinc/02/42/78/204024278.db2.gz ANQMELNQWMVBSP-UHFFFAOYSA-N 1 2 357.479 3.563 50 0 biogenic FHAALO COc1ccc(C[N@H+](C)CC(=O)Nc2ccc(F)c(Cl)c2)c(OC)c1 ZINC000003334776 204092978 /nfs/dbraw/zinc/09/29/78/204092978.db2.gz NIOQDJCPWPRNMQ-UHFFFAOYSA-N 1 2 366.820 3.567 50 0 FHAALO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(F)c(Cl)c2)c(OC)c1 ZINC000003334776 204092981 /nfs/dbraw/zinc/09/29/81/204092981.db2.gz NIOQDJCPWPRNMQ-UHFFFAOYSA-N 1 2 366.820 3.567 50 0 FHAALO Cc1sc2[nH]c(CSCc3cn4cc(C)ccc4[nH+]3)nc(=O)c2c1C ZINC000005254810 204199906 /nfs/dbraw/zinc/19/99/06/204199906.db2.gz JWWUAFYVVCNXHR-UHFFFAOYSA-N 1 2 370.503 3.991 50 0 FHAALO Cc1ccc2nc(-c3ccncc3)cc(C(=O)NCCCn3cc[nH+]c3)c2c1 ZINC000006401283 204246761 /nfs/dbraw/zinc/24/67/61/204246761.db2.gz WEZWWPBXIHXNBO-UHFFFAOYSA-N 1 2 371.444 3.622 50 0 FHAALO Cc1cc(C)n(CCc2[nH+]c3cc(NC(=O)CC(C)C)ccc3n2C)n1 ZINC000006665318 204259055 /nfs/dbraw/zinc/25/90/55/204259055.db2.gz AIBINPATVKQSEL-UHFFFAOYSA-N 1 2 353.470 3.614 50 0 FHAALO Cc1[nH+]c2ccccc2n1CC(=O)N1CCc2cc(Br)ccc21 ZINC000007461421 204297933 /nfs/dbraw/zinc/29/79/33/204297933.db2.gz RLUIYXGKRKYUSH-UHFFFAOYSA-N 1 2 370.250 3.697 50 0 FHAALO Cc1cc(N2CCCC2)nc(SCc2ccc(C(=O)NC(C)C)cc2)[nH+]1 ZINC000006869737 204276724 /nfs/dbraw/zinc/27/67/24/204276724.db2.gz IZLYKXOFDUEADU-UHFFFAOYSA-N 1 2 370.522 3.816 50 0 FHAALO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc(C)c(F)c2)c(OC)c1 ZINC000007739657 204306084 /nfs/dbraw/zinc/30/60/84/204306084.db2.gz LGKQSHLMRIULIB-IBGZPJMESA-N 1 2 372.440 3.927 50 0 FHAALO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc(C)c(F)c2)c(OC)c1 ZINC000007739657 204306088 /nfs/dbraw/zinc/30/60/88/204306088.db2.gz LGKQSHLMRIULIB-IBGZPJMESA-N 1 2 372.440 3.927 50 0 FHAALO O=C(COc1ccccc1Cc1ccccc1)NCc1cn2ccccc2[nH+]1 ZINC000007799002 204308034 /nfs/dbraw/zinc/30/80/34/204308034.db2.gz ARDAHDBXSAKVHM-UHFFFAOYSA-N 1 2 371.440 3.620 50 0 FHAALO C[C@@H](NC(=O)c1cc2c(c(Cl)c1)OCO2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000007987059 204312387 /nfs/dbraw/zinc/31/23/87/204312387.db2.gz FSQSTLQNCOAUAK-GFCCVEGCSA-N 1 2 369.808 3.745 50 0 FHAALO CCC[C@@H](C)NC(=O)Cn1c2ccccc2[nH+]c1NCc1ccccc1 ZINC000007989841 204313486 /nfs/dbraw/zinc/31/34/86/204313486.db2.gz KKTTTXINQRNYFU-MRXNPFEDSA-N 1 2 350.466 3.953 50 0 FHAALO Cc1cc(C)n2c(nc(=S)n2C[NH+]2CCC(Cc3ccccc3)CC2)n1 ZINC000008061913 204316569 /nfs/dbraw/zinc/31/65/69/204316569.db2.gz DNBGCGPVOISUCI-UHFFFAOYSA-N 1 2 367.522 3.789 50 0 FHAALO Cc1[nH+]c2ccccc2n1CCNC(=O)Cc1cccc(C(F)(F)F)c1 ZINC000008134542 204319109 /nfs/dbraw/zinc/31/91/09/204319109.db2.gz FMPAPYJUEFXNPU-UHFFFAOYSA-N 1 2 361.367 3.722 50 0 FHAALO COC(=O)c1ccc(C)c(NC(=O)C[N@H+](C)Cc2ccc(Cl)s2)c1 ZINC000008157939 204320284 /nfs/dbraw/zinc/32/02/84/204320284.db2.gz WQOHMVPJWJNOHG-UHFFFAOYSA-N 1 2 366.870 3.567 50 0 FHAALO COC(=O)c1ccc(C)c(NC(=O)C[N@@H+](C)Cc2ccc(Cl)s2)c1 ZINC000008157939 204320286 /nfs/dbraw/zinc/32/02/86/204320286.db2.gz WQOHMVPJWJNOHG-UHFFFAOYSA-N 1 2 366.870 3.567 50 0 FHAALO Cc1cc(NC(=O)C[N@@H+](C)Cc2ccc(-c3ccc(Cl)cc3)o2)no1 ZINC000008310768 204326471 /nfs/dbraw/zinc/32/64/71/204326471.db2.gz QCRKCMGRFBDGFZ-UHFFFAOYSA-N 1 2 359.813 3.967 50 0 FHAALO Cc1cc(NC(=O)C[N@H+](C)Cc2ccc(-c3ccc(Cl)cc3)o2)no1 ZINC000008310768 204326475 /nfs/dbraw/zinc/32/64/75/204326475.db2.gz QCRKCMGRFBDGFZ-UHFFFAOYSA-N 1 2 359.813 3.967 50 0 FHAALO O=C(C[N@@H+](Cc1ccc(F)cc1)C1CC1)Nc1ccc(F)c(F)c1F ZINC000008777094 204346139 /nfs/dbraw/zinc/34/61/39/204346139.db2.gz CPDJONSGNRBPSL-UHFFFAOYSA-N 1 2 352.331 3.846 50 0 FHAALO O=C(C[N@H+](Cc1ccc(F)cc1)C1CC1)Nc1ccc(F)c(F)c1F ZINC000008777094 204346144 /nfs/dbraw/zinc/34/61/44/204346144.db2.gz CPDJONSGNRBPSL-UHFFFAOYSA-N 1 2 352.331 3.846 50 0 FHAALO c1nn(-c2ccccc2)c2nc[nH+]c(NCCCn3cnc4ccccc43)c12 ZINC000009220908 204358494 /nfs/dbraw/zinc/35/84/94/204358494.db2.gz CABZZEZJNGJFGS-UHFFFAOYSA-N 1 2 369.432 3.667 50 0 FHAALO COc1ccc([C@H](NC(=O)Nc2ccc(Cl)cc2)c2[nH+]ccn2C)cc1 ZINC000009366308 204366225 /nfs/dbraw/zinc/36/62/25/204366225.db2.gz HXLJYTVJJKHRSP-KRWDZBQOSA-N 1 2 370.840 3.993 50 0 FHAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc2ncsc2c1)c1ccc(F)cc1 ZINC000010656408 204399584 /nfs/dbraw/zinc/39/95/84/204399584.db2.gz DPIKYTHNOCRKEI-KRWDZBQOSA-N 1 2 366.421 3.688 50 0 FHAALO Cc1ccc(NC(=O)C[N@@H+]2CCc3sccc3C2)cc1Br ZINC000010341548 204394434 /nfs/dbraw/zinc/39/44/34/204394434.db2.gz NWRDIUNNRCVWPF-UHFFFAOYSA-N 1 2 365.296 3.816 50 0 FHAALO Cc1ccc(NC(=O)C[N@H+]2CCc3sccc3C2)cc1Br ZINC000010341548 204394438 /nfs/dbraw/zinc/39/44/38/204394438.db2.gz NWRDIUNNRCVWPF-UHFFFAOYSA-N 1 2 365.296 3.816 50 0 FHAALO CC1CC[NH+](Cc2csc(NC(=O)c3cc(F)cc(F)c3)n2)CC1 ZINC000012972329 204514444 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C[C@H](NC(=O)C[N@H+]1CCn2cccc2[C@H]1C)c1ccc2c(c1)CCCC2 ZINC000037117560 205023252 /nfs/dbraw/zinc/02/32/52/205023252.db2.gz XCXQTJIWUKBRJN-DLBZAZTESA-N 1 2 351.494 3.621 50 0 FHAALO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@]3(C)CC3(Cl)Cl)n2)C1 ZINC000037132926 205023410 /nfs/dbraw/zinc/02/34/10/205023410.db2.gz KUCSFPTUYSENCF-YGRLFVJLSA-N 1 2 362.326 3.897 50 0 FHAALO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@]3(C)CC3(Cl)Cl)n2)C1 ZINC000037132926 205023413 /nfs/dbraw/zinc/02/34/13/205023413.db2.gz KUCSFPTUYSENCF-YGRLFVJLSA-N 1 2 362.326 3.897 50 0 FHAALO C[C@H](NC(=O)N1CCc2sccc2C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000040038943 205050007 /nfs/dbraw/zinc/05/00/07/205050007.db2.gz FYJHGWFOMRCITA-AWEZNQCLSA-N 1 2 352.463 3.763 50 0 FHAALO Cc1ccc(C(=O)CCC(=O)NCc2ccccc2Cn2cc[nH+]c2)s1 ZINC000040023582 205050211 /nfs/dbraw/zinc/05/02/11/205050211.db2.gz AXKOUKRIUKDLMF-UHFFFAOYSA-N 1 2 367.474 3.581 50 0 FHAALO O=C(CC[N@@H+]1CCO[C@@H](c2ccc(F)cc2)C1)Nc1ccccc1Cl ZINC000040086075 205053541 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3.510 50 0 FHAALO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000077389444 205594702 /nfs/dbraw/zinc/59/47/02/205594702.db2.gz UFVCTJWZXXCCED-UHFFFAOYSA-N 1 2 365.408 3.695 50 0 FHAALO CCc1cc(NC[C@@H]2CC(=O)Nc3ccccc32)nc(-c2ccncc2)[nH+]1 ZINC000095963881 205799907 /nfs/dbraw/zinc/79/99/07/205799907.db2.gz SNGLYZVYDFPYJA-HNNXBMFYSA-N 1 2 359.433 3.639 50 0 FHAALO Cc1nn(Cc2ccc(C)cc2)c(Cl)c1CN(C)Cc1[nH+]ccn1C ZINC000096003579 205803261 /nfs/dbraw/zinc/80/32/61/205803261.db2.gz PCEJOHNVVSBUBX-UHFFFAOYSA-N 1 2 357.889 3.567 50 0 FHAALO CCOc1c(CN(C)C(=O)c2ccccc2-c2[nH]cc[nH+]2)cccc1OC ZINC000097742812 205923330 /nfs/dbraw/zinc/92/33/30/205923330.db2.gz DOOQGEVXDHPSQI-UHFFFAOYSA-N 1 2 365.433 3.756 50 0 FHAALO Cn1c2ccccc2nc1CN1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000049372159 206086826 /nfs/dbraw/zinc/08/68/26/206086826.db2.gz YUYRTPKZDJAMRW-UHFFFAOYSA-N 1 2 354.885 3.545 50 0 FHAALO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2cccc(F)c2)c(OC)c1 ZINC000007739552 206212878 /nfs/dbraw/zinc/21/28/78/206212878.db2.gz XOUMIOQZZYVLTQ-GOSISDBHSA-N 1 2 358.413 3.619 50 0 FHAALO COc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2cccc(F)c2)c(OC)c1 ZINC000007739552 206212882 /nfs/dbraw/zinc/21/28/82/206212882.db2.gz XOUMIOQZZYVLTQ-GOSISDBHSA-N 1 2 358.413 3.619 50 0 FHAALO Nc1[nH+]c(-c2ccccc2)c2cc3c(nn12)C[C@@H](c1ccccc1)CC3=O ZINC000169681369 206255305 /nfs/dbraw/zinc/25/53/05/206255305.db2.gz SMXUIXUSMXSLFJ-MRXNPFEDSA-N 1 2 354.413 3.891 50 0 FHAALO Cn1cc([C@H]2C[N@H+](CCCc3c(Cl)cccc3Cl)CCO2)cn1 ZINC000170616053 206274267 /nfs/dbraw/zinc/27/42/67/206274267.db2.gz FHHANMRNKUVMMS-QGZVFWFLSA-N 1 2 354.281 3.733 50 0 FHAALO Cn1cc([C@H]2C[N@@H+](CCCc3c(Cl)cccc3Cl)CCO2)cn1 ZINC000170616053 206274269 /nfs/dbraw/zinc/27/42/69/206274269.db2.gz FHHANMRNKUVMMS-QGZVFWFLSA-N 1 2 354.281 3.733 50 0 FHAALO COc1ccc([C@@H](NC(=O)c2ccc(Cl)cc2)c2[nH+]ccn2C)cc1 ZINC000012560432 206294066 /nfs/dbraw/zinc/29/40/66/206294066.db2.gz YUVIXCIWSOEVGU-QGZVFWFLSA-N 1 2 355.825 3.602 50 0 FHAALO Cc1ccc([C@@H](C2Sc3ncnn3C2=O)[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000013144152 206301583 /nfs/dbraw/zinc/30/15/83/206301583.db2.gz QSFMLTRNMJEJIR-LZWOXQAQSA-N 1 2 356.495 3.872 50 0 FHAALO Cc1ccc([C@@H](C2Sc3ncnn3C2=O)[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000013144152 206301586 /nfs/dbraw/zinc/30/15/86/206301586.db2.gz QSFMLTRNMJEJIR-LZWOXQAQSA-N 1 2 356.495 3.872 50 0 FHAALO CCc1cc2c(cc1O)oc([C@H]1CCC[NH2+]1)c(-c1nc(C)cs1)c2=O ZINC000019703413 206327312 /nfs/dbraw/zinc/32/73/12/206327312.db2.gz BIGWHEBJLPCCRA-CYBMUJFWSA-N 1 2 356.447 3.917 50 0 FHAALO Cc1nn(C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c(=O)c2ccccc12 ZINC000054466632 206335154 /nfs/dbraw/zinc/33/51/54/206335154.db2.gz CXIZVGZTZCTYOM-MRXNPFEDSA-N 1 2 374.444 3.683 50 0 FHAALO Cc1nn(C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c(=O)c2ccccc12 ZINC000054466632 206335158 /nfs/dbraw/zinc/33/51/58/206335158.db2.gz CXIZVGZTZCTYOM-MRXNPFEDSA-N 1 2 374.444 3.683 50 0 FHAALO COCCc1noc([C@H]2CCCC[N@@H+]2Cc2[nH]c3ccc(F)cc3c2C)n1 ZINC000215530265 206346986 /nfs/dbraw/zinc/34/69/86/206346986.db2.gz HVDZTCKWRYBLMS-GOSISDBHSA-N 1 2 372.444 3.915 50 0 FHAALO COCCc1noc([C@H]2CCCC[N@H+]2Cc2[nH]c3ccc(F)cc3c2C)n1 ZINC000215530265 206346993 /nfs/dbraw/zinc/34/69/93/206346993.db2.gz HVDZTCKWRYBLMS-GOSISDBHSA-N 1 2 372.444 3.915 50 0 FHAALO c1cc([C@@H]2CCCCO2)sc1C[NH+]1CCN(Cc2cccnc2)CC1 ZINC000215597866 206348133 /nfs/dbraw/zinc/34/81/33/206348133.db2.gz OPAZYVNCFCJUFJ-IBGZPJMESA-N 1 2 357.523 3.703 50 0 FHAALO FC(F)Oc1ccccc1C[N@@H+]1CCc2nc(-c3cccnc3)[nH]c2C1 ZINC000215744763 206350110 /nfs/dbraw/zinc/35/01/10/206350110.db2.gz NFKHPMSGLARYKP-UHFFFAOYSA-N 1 2 356.376 3.631 50 0 FHAALO FC(F)Oc1ccccc1C[N@H+]1CCc2nc(-c3cccnc3)[nH]c2C1 ZINC000215744763 206350113 /nfs/dbraw/zinc/35/01/13/206350113.db2.gz NFKHPMSGLARYKP-UHFFFAOYSA-N 1 2 356.376 3.631 50 0 FHAALO Cc1c(C[NH+]2CCN(CCOc3ccccc3)CC2)[nH]c2ccc(F)cc12 ZINC000216031408 206353696 /nfs/dbraw/zinc/35/36/96/206353696.db2.gz ZBEIESHTYQEFGA-UHFFFAOYSA-N 1 2 367.468 3.812 50 0 FHAALO c1csc(-c2ncc(C[N@@H+](Cc3ccncc3)C[C@@H]3CCCO3)cn2)c1 ZINC000216138466 206356584 /nfs/dbraw/zinc/35/65/84/206356584.db2.gz RHPLJNLKZGGFGM-SFHVURJKSA-N 1 2 366.490 3.781 50 0 FHAALO c1csc(-c2ncc(C[N@H+](Cc3ccncc3)C[C@@H]3CCCO3)cn2)c1 ZINC000216138466 206356590 /nfs/dbraw/zinc/35/65/90/206356590.db2.gz RHPLJNLKZGGFGM-SFHVURJKSA-N 1 2 366.490 3.781 50 0 FHAALO Cc1cc(-c2nn(C)c(Cl)c2C[N@@H+]2CCC[C@@H]2c2cc(C)on2)no1 ZINC000216342237 206357361 /nfs/dbraw/zinc/35/73/61/206357361.db2.gz XXYFDBHVGDVRJU-OAHLLOKOSA-N 1 2 361.833 3.670 50 0 FHAALO Cc1cc(-c2nn(C)c(Cl)c2C[N@H+]2CCC[C@@H]2c2cc(C)on2)no1 ZINC000216342237 206357364 /nfs/dbraw/zinc/35/73/64/206357364.db2.gz XXYFDBHVGDVRJU-OAHLLOKOSA-N 1 2 361.833 3.670 50 0 FHAALO COc1ccc(C2(C(=O)N[C@@H](c3[nH+]ccn3C)C3CC3)CCCC2)cc1 ZINC000218853827 206374635 /nfs/dbraw/zinc/37/46/35/206374635.db2.gz GWXWLIBXHHOLAZ-GOSISDBHSA-N 1 2 353.466 3.508 50 0 FHAALO CCc1[nH+]c2ccccc2n1CC(=O)Nc1cccc(Cl)c1N(C)C ZINC000048236027 221002085 /nfs/dbraw/zinc/00/20/85/221002085.db2.gz HBVKXFJAQTXYKQ-UHFFFAOYSA-N 1 2 356.857 3.957 50 0 FHAALO CCc1nc2c(ncnc2N2CCC[C@@H](Cc3[nH]c4ccccc4[nH+]3)C2)o1 ZINC000077287768 132179881 /nfs/dbraw/zinc/17/98/81/132179881.db2.gz DLHWLOMPPVEROA-ZDUSSCGKSA-N 1 2 362.437 3.516 50 0 FHAALO Cc1ccccc1N1CCN(C(=O)c2ccccc2-c2[nH]cc[nH+]2)[C@@H](C)C1 ZINC000077504783 132187671 /nfs/dbraw/zinc/18/76/71/132187671.db2.gz LFSSYAOZKCFZCL-KRWDZBQOSA-N 1 2 360.461 3.736 50 0 FHAALO Cc1cc(N2CCC3(CC2)Nc2ccccc2NC3=O)[nH+]c2ccccc12 ZINC000082106917 132194957 /nfs/dbraw/zinc/19/49/57/132194957.db2.gz HQPYJNMDKLDBTN-UHFFFAOYSA-N 1 2 358.445 3.946 50 0 FHAALO O=C1CC2(CN1C/C=C/c1ccccc1)CCN(c1cc[nH+]cc1F)CC2 ZINC000095382280 132209931 /nfs/dbraw/zinc/20/99/31/132209931.db2.gz WSZZBRYEBAJORL-QPJJXVBHSA-N 1 2 365.452 3.753 50 0 FHAALO O=C(Nc1cc[nH+]cc1N1CCCCC1)c1occc1Br ZINC000096012128 132217094 /nfs/dbraw/zinc/21/70/94/132217094.db2.gz IHOULUAKRGRNSR-UHFFFAOYSA-N 1 2 350.216 3.680 50 0 FHAALO Cc1cc(N2CCO[C@@H](c3nc(C(C)(C)C)cs3)C2)nc(C2CC2)[nH+]1 ZINC000116260548 132247501 /nfs/dbraw/zinc/24/75/01/132247501.db2.gz RIEGPYJZNHAKNU-CQSZACIVSA-N 1 2 358.511 3.994 50 0 FHAALO COc1ccc(N2CC[N@H+](Cc3oc4ccccc4c3C)[C@H](C)C2=O)cc1 ZINC000215144573 132269779 /nfs/dbraw/zinc/26/97/79/132269779.db2.gz OKOHDLGVLJUDTN-MRXNPFEDSA-N 1 2 364.445 3.987 50 0 FHAALO COc1ccc(N2CC[N@@H+](Cc3oc4ccccc4c3C)[C@H](C)C2=O)cc1 ZINC000215144573 132269780 /nfs/dbraw/zinc/26/97/80/132269780.db2.gz OKOHDLGVLJUDTN-MRXNPFEDSA-N 1 2 364.445 3.987 50 0 FHAALO Cc1cc(N2C[C@@H](C)O[C@@H](c3ccsc3)C2)nc(-c2ccncc2)[nH+]1 ZINC000225472664 132284961 /nfs/dbraw/zinc/28/49/61/132284961.db2.gz HBXZVEXSRSCDLG-RHSMWYFYSA-N 1 2 352.463 3.875 50 0 FHAALO CCCC(=O)NC[C@@H]1CCCN(c2c(C)c[nH+]c3c(OC)cccc32)C1 ZINC000239667820 132289187 /nfs/dbraw/zinc/28/91/87/132289187.db2.gz BRNLUERZKNUHOS-INIZCTEOSA-N 1 2 355.482 3.685 50 0 FHAALO COc1ccccc1N1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000055543153 132376289 /nfs/dbraw/zinc/37/62/89/132376289.db2.gz FJVYRIPCWAORAE-UHFFFAOYSA-N 1 2 361.283 3.780 50 0 FHAALO Cc1ccc(N2CC[NH+]([C@@H](C)C(=O)Nc3cccc(Cl)c3)CC2)cc1 ZINC000034682365 136117952 /nfs/dbraw/zinc/11/79/52/136117952.db2.gz FBNCWDFRWKDWPD-INIZCTEOSA-N 1 2 357.885 3.798 50 0 FHAALO Cc1cc(C)cc(NC(=O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000052537408 136124407 /nfs/dbraw/zinc/12/44/07/136124407.db2.gz KYDOLRFKHXJXAD-UHFFFAOYSA-N 1 2 357.885 3.718 50 0 FHAALO Cc1ccc(N2CC[NH+](CC(=O)Nc3ccc(F)cc3)CC2)cc1Cl ZINC000054225106 136125346 /nfs/dbraw/zinc/12/53/46/136125346.db2.gz ZCRUBESNBBLDRG-UHFFFAOYSA-N 1 2 361.848 3.548 50 0 FHAALO COc1ccccc1N1CC[NH+](CC(=O)Nc2ccccc2C(C)C)CC1 ZINC000055565635 136127262 /nfs/dbraw/zinc/12/72/62/136127262.db2.gz YGDDFOFIOSMJDH-UHFFFAOYSA-N 1 2 367.493 3.579 50 0 FHAALO C[C@@H](C(=O)Nc1ccccc1F)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000057292134 136128419 /nfs/dbraw/zinc/12/84/19/136128419.db2.gz BAVURJAIMYWTSI-AWEZNQCLSA-N 1 2 361.848 3.628 50 0 FHAALO CC(C)c1cc(NC[C@@H]2CCCN(c3cccc[nH+]3)C2)n2nccc2n1 ZINC000072433904 136147117 /nfs/dbraw/zinc/14/71/17/136147117.db2.gz WNIXKYZVGCKRTH-INIZCTEOSA-N 1 2 350.470 3.576 50 0 FHAALO C=Cc1ccc(N2CCC[C@]3(CCC(=O)N(Cc4ccncc4)C3)C2)[nH+]c1 ZINC000072479876 136149774 /nfs/dbraw/zinc/14/97/74/136149774.db2.gz RYDSFHPVMDONDM-QFIPXVFZSA-N 1 2 362.477 3.529 50 0 FHAALO COc1ccc(C[NH+]2CCN(Cc3ccc(SC)cc3)CC2)cc1OC ZINC000019781854 263376843 /nfs/dbraw/zinc/37/68/43/263376843.db2.gz NAHZFABZFDPIME-UHFFFAOYSA-N 1 2 372.534 3.744 50 0 FHAALO CC(=O)c1ccc(NC(=S)N2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000020310901 518380856 /nfs/dbraw/zinc/38/08/56/518380856.db2.gz SKYXEAMWGMDEAK-UHFFFAOYSA-N 1 2 371.481 3.543 50 0 FHAALO CC(C)c1ccc(OCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000019929065 519838043 /nfs/dbraw/zinc/83/80/43/519838043.db2.gz RGXCBEFJHZVVIR-UHFFFAOYSA-N 1 2 368.477 3.660 50 0 FHAALO CCCN(Cc1[nH+]ccn1C)C(=O)c1ccc2nc(-c3ccccc3)cn2c1 ZINC000082108523 521694459 /nfs/dbraw/zinc/69/44/59/521694459.db2.gz BKLUKHPMKOFRIX-UHFFFAOYSA-N 1 2 373.460 3.787 50 0 FHAALO C[N@@H+]1CC[C@H](NC(=O)[C@H]2Cc3ccccc3S2)[C@@H]1c1ccc(F)c(F)c1 ZINC000241961384 523987445 /nfs/dbraw/zinc/98/74/45/523987445.db2.gz URZWFIYWJNWTAQ-UHOSZYNNSA-N 1 2 374.456 3.543 50 0 FHAALO C[N@H+]1CC[C@H](NC(=O)[C@H]2Cc3ccccc3S2)[C@@H]1c1ccc(F)c(F)c1 ZINC000241961384 523987450 /nfs/dbraw/zinc/98/74/50/523987450.db2.gz URZWFIYWJNWTAQ-UHOSZYNNSA-N 1 2 374.456 3.543 50 0 FHAALO COc1ccc(C[N@@H+]2CCCC[C@H]2c2nccs2)cc1Cn1cncn1 ZINC000216356905 524026669 /nfs/dbraw/zinc/02/66/69/524026669.db2.gz WMZPBYLEZIVLLS-KRWDZBQOSA-N 1 2 369.494 3.519 50 0 FHAALO COc1ccc(C[N@H+]2CCCC[C@H]2c2nccs2)cc1Cn1cncn1 ZINC000216356905 524026673 /nfs/dbraw/zinc/02/66/73/524026673.db2.gz WMZPBYLEZIVLLS-KRWDZBQOSA-N 1 2 369.494 3.519 50 0 FHAALO Cc1cccc(CC(=O)N2CCC(c3[nH+]ccn3CC3CCC3)CC2)c1 ZINC000091691485 524338231 /nfs/dbraw/zinc/33/82/31/524338231.db2.gz OUYNPJFUBJDBCU-UHFFFAOYSA-N 1 2 351.494 3.940 50 0 FHAALO COc1ccccc1NC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000020668177 524610210 /nfs/dbraw/zinc/61/02/10/524610210.db2.gz LQRUYXMFRBLSQN-UHFFFAOYSA-N 1 2 359.857 3.698 50 0 FHAALO Cc1cccc(NC(=S)N(CC[NH+]2CCOCC2)C[C@H]2CC=CCC2)c1 ZINC000020408308 524666685 /nfs/dbraw/zinc/66/66/85/524666685.db2.gz QREBWMIYTAGJHK-IBGZPJMESA-N 1 2 373.566 3.682 50 0 FHAALO Cc1ccccc1C[NH+]1CCN(C(=O)c2cc(-c3ccccc3)on2)CC1 ZINC000020608289 525142647 /nfs/dbraw/zinc/14/26/47/525142647.db2.gz STTLIRLJKLVPJR-UHFFFAOYSA-N 1 2 361.445 3.608 50 0 FHAALO Cc1c([C@@H](C)NC(=O)Cc2c[nH+]c3c(C)cccn23)cnn1-c1ccccc1 ZINC000091551142 525887758 /nfs/dbraw/zinc/88/77/58/525887758.db2.gz DGXIHGGYIHSJKY-MRXNPFEDSA-N 1 2 373.460 3.557 50 0 FHAALO COc1cccc(C[NH+]2CCN(C(=O)Nc3ccc4c(c3)CCC4)CC2)c1 ZINC000020274208 525941217 /nfs/dbraw/zinc/94/12/17/525941217.db2.gz YKZUGCSYODLILH-UHFFFAOYSA-N 1 2 365.477 3.534 50 0 FHAALO Fc1cccc(C[NH+]2CCN(Cc3c[nH]c(-c4ccccc4)n3)CC2)c1 ZINC000020918360 526387178 /nfs/dbraw/zinc/38/71/78/526387178.db2.gz SMFRSXYYFBXSBG-UHFFFAOYSA-N 1 2 350.441 3.534 50 0 FHAALO O=C(CCc1c[nH]c2ccccc12)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000020623416 526578221 /nfs/dbraw/zinc/57/82/21/526578221.db2.gz ZLSKENBMIBESKY-RMKNXTFCSA-N 1 2 373.500 3.958 50 0 FHAALO O=C(c1cc(Cl)ccc1O)N1CCC(c2[nH+]ccn2CC2CC2)CC1 ZINC000082136836 526610113 /nfs/dbraw/zinc/61/01/13/526610113.db2.gz BLKZNDGCMXHEFN-UHFFFAOYSA-N 1 2 359.857 3.672 50 0 FHAALO O=C(Nc1ccc(F)c(F)c1)N1CCC[C@@H](c2[nH+]ccn2CC2CC2)C1 ZINC000082087672 527194169 /nfs/dbraw/zinc/19/41/69/527194169.db2.gz WDTCCKKLQSXEAU-CQSZACIVSA-N 1 2 360.408 3.983 50 0 FHAALO O=C(NC1CCCCC1)N1CCC[C@H](c2[nH+]ccn2Cc2ccncc2)C1 ZINC000091624623 527512377 /nfs/dbraw/zinc/51/23/77/527512377.db2.gz YKZQBOOZYFCTDA-SFHVURJKSA-N 1 2 367.497 3.548 50 0 FHAALO CCc1ccccc1NC(=O)C[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000055060389 535949420 /nfs/dbraw/zinc/94/94/20/535949420.db2.gz SCKCCGSFZJFOID-UHFFFAOYSA-N 1 2 351.494 3.627 50 0 FHAALO Cn1cc[nH+]c1C1CCN(C(=O)[C@@]2(c3ccccc3F)CC2(C)C)CC1 ZINC000091932258 570442563 /nfs/dbraw/zinc/44/25/63/570442563.db2.gz PKIVHUIRSLVPAA-NRFANRHFSA-N 1 2 355.457 3.633 50 0 FHAALO CCOc1ccccc1C[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1ccncc1)C2 ZINC000091951458 570443383 /nfs/dbraw/zinc/44/33/83/570443383.db2.gz LNMNRYGWUYWXEO-PZJWPPBQSA-N 1 2 351.494 3.577 50 0 FHAALO CCOc1ccccc1C[N@H+]1C[C@H]2CC[C@@H]1CN(Cc1ccncc1)C2 ZINC000091951458 570443385 /nfs/dbraw/zinc/44/33/85/570443385.db2.gz LNMNRYGWUYWXEO-PZJWPPBQSA-N 1 2 351.494 3.577 50 0 FHAALO COCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cc(C(C)C)oc2C)C1 ZINC000091986795 570443930 /nfs/dbraw/zinc/44/39/30/570443930.db2.gz WIFWNCUQQZOUMI-MRXNPFEDSA-N 1 2 359.470 3.574 50 0 FHAALO C[C@H](NC(=O)Cn1cc[nH+]c1-c1ccccc1)c1ccccc1-n1cccn1 ZINC000092028478 570445364 /nfs/dbraw/zinc/44/53/64/570445364.db2.gz QFXGRNLTLWKXPX-KRWDZBQOSA-N 1 2 371.444 3.613 50 0 FHAALO CN(CCc1[nH]c2ccc(Cl)cc2[nH+]1)c1ccnc(C(F)(F)F)n1 ZINC000092028503 570445415 /nfs/dbraw/zinc/44/54/15/570445415.db2.gz MTHQBSKTIYRJFM-UHFFFAOYSA-N 1 2 355.751 3.704 50 0 FHAALO COc1ccc(F)c(F)c1C(=O)N1CCC(c2[nH+]ccn2C(C)C)CC1 ZINC000092062035 570446450 /nfs/dbraw/zinc/44/64/50/570446450.db2.gz KIFACLXHZGKQFE-UHFFFAOYSA-N 1 2 363.408 3.771 50 0 FHAALO O=C(c1cccnc1)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccc(F)cc2Cl)C1 ZINC000092078410 570447132 /nfs/dbraw/zinc/44/71/32/570447132.db2.gz SXOXCBAEVHUGRF-RDTXWAMCSA-N 1 2 373.859 3.611 50 0 FHAALO O=C(c1cccnc1)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccc(F)cc2Cl)C1 ZINC000092078410 570447134 /nfs/dbraw/zinc/44/71/34/570447134.db2.gz SXOXCBAEVHUGRF-RDTXWAMCSA-N 1 2 373.859 3.611 50 0 FHAALO O=C(C1CCCCC1)N1CCC[C@@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095366833 570455426 /nfs/dbraw/zinc/45/54/26/570455426.db2.gz NUMNGUPJSUNEPG-MRXNPFEDSA-N 1 2 358.511 3.674 50 0 FHAALO Cc1ccc2nc(SCCC(=O)N3CCc4[nH]c[nH+]c4C3)cc(C)c2c1 ZINC000095382326 570459072 /nfs/dbraw/zinc/45/90/72/570459072.db2.gz UJPSOJABRTVVQS-UHFFFAOYSA-N 1 2 366.490 3.642 50 0 FHAALO Cc1ccc2nc(SCCC(=O)N3CCc4[nH+]c[nH]c4C3)cc(C)c2c1 ZINC000095382326 570459075 /nfs/dbraw/zinc/45/90/75/570459075.db2.gz UJPSOJABRTVVQS-UHFFFAOYSA-N 1 2 366.490 3.642 50 0 FHAALO CCCCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cn3c(cccc3C)n2)C1 ZINC000095386519 570460320 /nfs/dbraw/zinc/46/03/20/570460320.db2.gz FOPISZWPSYXOEO-KRWDZBQOSA-N 1 2 365.481 3.659 50 0 FHAALO Cc1cc(C(=O)N2CCC[C@H](c3[nH+]ccn3Cc3cscn3)C2)c(C)o1 ZINC000095497414 570461737 /nfs/dbraw/zinc/46/17/37/570461737.db2.gz MHKJJLCGKMZTDR-HNNXBMFYSA-N 1 2 370.478 3.618 50 0 FHAALO COc1cccc(O[C@H](C)C(=O)N2CCC(c3[nH+]ccn3C(C)C)CC2)c1 ZINC000095497617 570462404 /nfs/dbraw/zinc/46/24/04/570462404.db2.gz VIXLNQMXBGNFGS-MRXNPFEDSA-N 1 2 371.481 3.646 50 0 FHAALO COc1cc(F)c(C(=O)N2CCC[C@@H](c3[nH+]ccn3C(C)C)C2)c(F)c1 ZINC000095501308 570462938 /nfs/dbraw/zinc/46/29/38/570462938.db2.gz BXEFJDNHFOUEBA-CYBMUJFWSA-N 1 2 363.408 3.771 50 0 FHAALO Cc1cccn2cc(-c3ccc(S(=O)(=O)N4CCCCCC4)cc3)[nH+]c12 ZINC000000906379 570463647 /nfs/dbraw/zinc/46/36/47/570463647.db2.gz VFLWUSYZCZUYCS-UHFFFAOYSA-N 1 2 369.490 3.874 50 0 FHAALO Cn1cc[nH+]c1C1CCN(C(=O)[C@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000095505855 570464549 /nfs/dbraw/zinc/46/45/49/570464549.db2.gz VKWVSAAWJLPXHZ-SFHVURJKSA-N 1 2 362.477 3.728 50 0 FHAALO O=C(CC1CCCC1)N1CCC(c2[nH+]ccn2Cc2ccncc2)CC1 ZINC000095523605 570468063 /nfs/dbraw/zinc/46/80/63/570468063.db2.gz AQROHPMNOKSQFW-UHFFFAOYSA-N 1 2 352.482 3.613 50 0 FHAALO CCc1n[nH]c(C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+]2CCCC2)c1C ZINC000096164584 570478110 /nfs/dbraw/zinc/47/81/10/570478110.db2.gz CHZYADQFFGJDFN-QGZVFWFLSA-N 1 2 360.889 3.501 50 0 FHAALO COc1ccc(C[NH2+]Cc2coc(-c3ccc(C)cc3)n2)c(OC)c1OC ZINC000072927049 570483730 /nfs/dbraw/zinc/48/37/30/570483730.db2.gz JAFYJEYUHZMBJF-UHFFFAOYSA-N 1 2 368.433 3.966 50 0 FHAALO COc1ccc(CN(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)c2cccnc12 ZINC000097529018 570489672 /nfs/dbraw/zinc/48/96/72/570489672.db2.gz LTPYSOCVCYZUMY-UHFFFAOYSA-N 1 2 372.428 3.701 50 0 FHAALO CC(C)n1cc[nH+]c1[C@H]1CCCN(C(=O)c2cccc(-c3cn[nH]c3)c2)C1 ZINC000097681819 570492177 /nfs/dbraw/zinc/49/21/77/570492177.db2.gz PQGVOLCCWCFIHN-SFHVURJKSA-N 1 2 363.465 3.874 50 0 FHAALO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1nc2cc(Cl)ccc2n1C ZINC000248098862 570597346 /nfs/dbraw/zinc/59/73/46/570597346.db2.gz ZRZKWKVYJSKZPY-MJEQTWJJSA-N 1 2 361.873 3.533 50 0 FHAALO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1nc2cc(Cl)ccc2n1C ZINC000248098862 570597349 /nfs/dbraw/zinc/59/73/49/570597349.db2.gz ZRZKWKVYJSKZPY-MJEQTWJJSA-N 1 2 361.873 3.533 50 0 FHAALO Cc1ccc(Oc2ncccc2CNC(=O)[C@@H](C)n2cc[nH+]c2)c(F)c1F ZINC000011664110 570704853 /nfs/dbraw/zinc/70/48/53/570704853.db2.gz OLDZNHMTCJZUMT-CYBMUJFWSA-N 1 2 372.375 3.534 50 0 FHAALO O=C(Nc1ccc(-c2cscn2)cc1)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000011820479 570708319 /nfs/dbraw/zinc/70/83/19/570708319.db2.gz UPOIVBJKAPKDLB-LJQANCHMSA-N 1 2 364.474 3.808 50 0 FHAALO O=C(Nc1ccc(-c2cscn2)cc1)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000011820479 570708323 /nfs/dbraw/zinc/70/83/23/570708323.db2.gz UPOIVBJKAPKDLB-LJQANCHMSA-N 1 2 364.474 3.808 50 0 FHAALO O=C(c1ccc2nc(C3CC3)oc2c1)N1CCCC[C@@H]1CCn1cc[nH+]c1 ZINC000012299735 570733249 /nfs/dbraw/zinc/73/32/49/570733249.db2.gz XIQQNUKJXXGENO-QGZVFWFLSA-N 1 2 364.449 3.987 50 0 FHAALO c1csc(-c2noc(C[NH+]3CCC(OCc4ccccc4)CC3)n2)c1 ZINC000012597723 570753566 /nfs/dbraw/zinc/75/35/66/570753566.db2.gz AVGYCRBISSWZQF-UHFFFAOYSA-N 1 2 355.463 3.979 50 0 FHAALO C[N@@H+](Cc1nc(Cc2cccc(C(F)(F)F)c2)no1)C[C@H]1CCCCO1 ZINC000012705210 570757139 /nfs/dbraw/zinc/75/71/39/570757139.db2.gz YCSGAUSPLCXJPG-OAHLLOKOSA-N 1 2 369.387 3.680 50 0 FHAALO C[N@H+](Cc1nc(Cc2cccc(C(F)(F)F)c2)no1)C[C@H]1CCCCO1 ZINC000012705210 570757142 /nfs/dbraw/zinc/75/71/42/570757142.db2.gz YCSGAUSPLCXJPG-OAHLLOKOSA-N 1 2 369.387 3.680 50 0 FHAALO C[N@H+](CCOc1ccccc1)Cc1nc(Cc2ccccc2Cl)no1 ZINC000012835903 570765224 /nfs/dbraw/zinc/76/52/24/570765224.db2.gz BZHSUYYQNBISFG-UHFFFAOYSA-N 1 2 357.841 3.825 50 0 FHAALO C[N@@H+](CCOc1ccccc1)Cc1nc(Cc2ccccc2Cl)no1 ZINC000012835903 570765227 /nfs/dbraw/zinc/76/52/27/570765227.db2.gz BZHSUYYQNBISFG-UHFFFAOYSA-N 1 2 357.841 3.825 50 0 FHAALO CN(C)c1ccc(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)cc1 ZINC000032772753 570797454 /nfs/dbraw/zinc/79/74/54/570797454.db2.gz QUXCUVAIWOFADN-GOSISDBHSA-N 1 2 368.868 3.659 50 0 FHAALO COCc1ccc(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)cc1 ZINC000014141724 570808922 /nfs/dbraw/zinc/80/89/22/570808922.db2.gz HBLBQPBHGXFPPQ-AWEZNQCLSA-N 1 2 359.495 3.774 50 0 FHAALO COCc1ccc(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)cc1 ZINC000014141724 570808926 /nfs/dbraw/zinc/80/89/26/570808926.db2.gz HBLBQPBHGXFPPQ-AWEZNQCLSA-N 1 2 359.495 3.774 50 0 FHAALO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)COc3cccc(F)c3)n2)C1 ZINC000014183708 570810741 /nfs/dbraw/zinc/81/07/41/570810741.db2.gz WZLOFPUDMJRKNX-CYBMUJFWSA-N 1 2 363.458 3.532 50 0 FHAALO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)COc3cccc(F)c3)n2)C1 ZINC000014183708 570810745 /nfs/dbraw/zinc/81/07/45/570810745.db2.gz WZLOFPUDMJRKNX-CYBMUJFWSA-N 1 2 363.458 3.532 50 0 FHAALO Cc1[nH]c2ccc(C(=O)NCc3ccccc3Cn3cc[nH+]c3)cc2c1C ZINC000032860016 570823822 /nfs/dbraw/zinc/82/38/22/570823822.db2.gz ADQYJDFYAJNJKF-UHFFFAOYSA-N 1 2 358.445 3.960 50 0 FHAALO CN(Cc1ccccc1)c1[nH+]cccc1CNC(=O)Cc1ccsc1 ZINC000015079271 570832476 /nfs/dbraw/zinc/83/24/76/570832476.db2.gz RRDWCPXXBKVGJD-UHFFFAOYSA-N 1 2 351.475 3.638 50 0 FHAALO O=C(C[N@H+](Cc1ccco1)Cc1cccs1)N1CCc2ccccc2C1 ZINC000016350038 570854740 /nfs/dbraw/zinc/85/47/40/570854740.db2.gz YKVXJTORSRNTNI-UHFFFAOYSA-N 1 2 366.486 3.928 50 0 FHAALO O=C(C[N@@H+](Cc1ccco1)Cc1cccs1)N1CCc2ccccc2C1 ZINC000016350038 570854742 /nfs/dbraw/zinc/85/47/42/570854742.db2.gz YKVXJTORSRNTNI-UHFFFAOYSA-N 1 2 366.486 3.928 50 0 FHAALO CCSc1nc(=O)c2c3c(sc2[nH]1)C[N@@H+](Cc1ccccc1)CC3 ZINC000017194678 570870217 /nfs/dbraw/zinc/87/02/17/570870217.db2.gz BEOIBOLRJFCRIW-UHFFFAOYSA-N 1 2 357.504 3.655 50 0 FHAALO CCSc1nc(=O)c2c3c(sc2[nH]1)C[N@H+](Cc1ccccc1)CC3 ZINC000017194678 570870219 /nfs/dbraw/zinc/87/02/19/570870219.db2.gz BEOIBOLRJFCRIW-UHFFFAOYSA-N 1 2 357.504 3.655 50 0 FHAALO CCOC(=O)c1c(NC(=O)C[NH+]2CCCCC2)sc2c1[C@H](C)CCC2 ZINC000019796988 570903246 /nfs/dbraw/zinc/90/32/46/570903246.db2.gz XTUUSADQGCCLSX-CYBMUJFWSA-N 1 2 364.511 3.789 50 0 FHAALO C[C@@]1(C(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)CC1(Cl)Cl ZINC000020472607 570917525 /nfs/dbraw/zinc/91/75/25/570917525.db2.gz VTLMRORELIEFTG-HNNXBMFYSA-N 1 2 361.700 3.568 50 0 FHAALO CCN1CC[NH+](Cc2ccc(NC(=O)Nc3cc(F)ccc3F)cc2)CC1 ZINC000020500786 570918660 /nfs/dbraw/zinc/91/86/60/570918660.db2.gz LMBXYHYXCRYICY-UHFFFAOYSA-N 1 2 374.435 3.746 50 0 FHAALO C[C@@H]1CCCC[C@@H]1OCCNC(=O)Nc1cccc(Cn2cc[nH+]c2)c1 ZINC000048288451 570941167 /nfs/dbraw/zinc/94/11/67/570941167.db2.gz KUDOUDWBAPPHCE-APWZRJJASA-N 1 2 356.470 3.648 50 0 FHAALO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1cncn1-c1ccccc1 ZINC000022289754 570942711 /nfs/dbraw/zinc/94/27/11/570942711.db2.gz SSHNHPPYFSJZSF-UHFFFAOYSA-N 1 2 367.478 3.567 50 0 FHAALO O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)c1ccccc1O ZINC000022283603 570942961 /nfs/dbraw/zinc/94/29/61/570942961.db2.gz OUCOAVBFMVUJFT-UHFFFAOYSA-N 1 2 365.458 3.659 50 0 FHAALO O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)c1ccccc1O ZINC000022283603 570942962 /nfs/dbraw/zinc/94/29/62/570942962.db2.gz OUCOAVBFMVUJFT-UHFFFAOYSA-N 1 2 365.458 3.659 50 0 FHAALO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CCO[C@H](C)C2)cc1 ZINC000022384983 570943353 /nfs/dbraw/zinc/94/33/53/570943353.db2.gz IQXRMCYGAGOEHW-QGZVFWFLSA-N 1 2 363.461 3.769 50 0 FHAALO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CCO[C@H](C)C2)cc1 ZINC000022384983 570943356 /nfs/dbraw/zinc/94/33/56/570943356.db2.gz IQXRMCYGAGOEHW-QGZVFWFLSA-N 1 2 363.461 3.769 50 0 FHAALO C[C@@H](NC(=O)CSCc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000023156470 570957968 /nfs/dbraw/zinc/95/79/68/570957968.db2.gz NRPRGKBUULWZCM-MRXNPFEDSA-N 1 2 351.475 3.983 50 0 FHAALO COc1ccccc1CN1C[C@@H](c2[nH]c(C)c(-c3ccccc3)[nH+]2)CC1=O ZINC000023580589 570965245 /nfs/dbraw/zinc/96/52/45/570965245.db2.gz DNORZGHRDAPMKZ-SFHVURJKSA-N 1 2 361.445 3.910 50 0 FHAALO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1cccc(C(F)(F)F)c1 ZINC000023730898 570966805 /nfs/dbraw/zinc/96/68/05/570966805.db2.gz JTWXPMVUBZPSAU-UHFFFAOYSA-N 1 2 364.367 3.790 50 0 FHAALO Cc1c(C[NH+]2CCN(c3ccccn3)CC2)noc1-c1ccc(F)cc1 ZINC000023818997 570967637 /nfs/dbraw/zinc/96/76/37/570967637.db2.gz CIEUNBYIBJZLOO-UHFFFAOYSA-N 1 2 352.413 3.506 50 0 FHAALO C[C@H]1c2cccn2CC[N@H+]1CC(=O)NCC(c1ccccc1)c1ccccc1 ZINC000024841059 570984524 /nfs/dbraw/zinc/98/45/24/570984524.db2.gz KSWIYQDSPNPEDU-IBGZPJMESA-N 1 2 373.500 3.813 50 0 FHAALO C[C@H]1c2cccn2CC[N@@H+]1CC(=O)NCC(c1ccccc1)c1ccccc1 ZINC000024841059 570984526 /nfs/dbraw/zinc/98/45/26/570984526.db2.gz KSWIYQDSPNPEDU-IBGZPJMESA-N 1 2 373.500 3.813 50 0 FHAALO O=C(Nc1ccc(-n2cc[nH+]c2)nc1)c1cccc2c3c([nH]c21)CCCC3 ZINC000024907856 570985882 /nfs/dbraw/zinc/98/58/82/570985882.db2.gz OFSPAKBVSLGWTC-UHFFFAOYSA-N 1 2 357.417 3.880 50 0 FHAALO O=C(NCCc1cn2ccccc2[nH+]1)N1CCC(Cc2ccccc2)CC1 ZINC000026288571 571004074 /nfs/dbraw/zinc/00/40/74/571004074.db2.gz IHTZUTJWICMZJY-UHFFFAOYSA-N 1 2 362.477 3.541 50 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O=C(Nc1ccc(-n2cccn2)c(Cl)c1)N[C@@H]1CCC[C@H]1n1cc[nH+]c1 ZINC000079019655 571326610 /nfs/dbraw/zinc/32/66/10/571326610.db2.gz CUIOBYDOEYRVNI-NVXWUHKLSA-N 1 2 370.844 3.638 50 0 FHAALO CCn1cc(S(=O)(=O)Nc2ccc3[nH]c(C4CCCCC4)[nH+]c3c2)cn1 ZINC000079052787 571326738 /nfs/dbraw/zinc/32/67/38/571326738.db2.gz RIZFVQYZOPIDJM-UHFFFAOYSA-N 1 2 373.482 3.628 50 0 FHAALO Cc1cccc([C@@H](CC(=O)N2CCN(c3cccc[nH+]3)CC2)n2cccc2)c1 ZINC000020999061 571332168 /nfs/dbraw/zinc/33/21/68/571332168.db2.gz KEMJTYLOSSCNEH-OAQYLSRUSA-N 1 2 374.488 3.520 50 0 FHAALO CCc1cc(NC[C@H]2CC(=O)Nc3ccccc32)nc(-c2ccncc2)[nH+]1 ZINC000095963882 571333118 /nfs/dbraw/zinc/33/31/18/571333118.db2.gz SNGLYZVYDFPYJA-OAHLLOKOSA-N 1 2 359.433 3.639 50 0 FHAALO O=C(NCCCc1ccccc1)C1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000021158559 571333349 /nfs/dbraw/zinc/33/33/49/571333349.db2.gz QFFHOADAUKGFKG-UHFFFAOYSA-N 1 2 362.477 3.528 50 0 FHAALO C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)c2n[nH]c3ccccc32)CC1 ZINC000031214254 571351536 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Cc1ccc(-c2cc(C[N@@H+]3CCNC(=O)C[C@@H]3c3ccccc3)on2)cc1 ZINC000194318162 935354295 /nfs/dbraw/zinc/35/42/95/935354295.db2.gz LHLOXFRDAPTRFU-OAQYLSRUSA-N 1 2 361.445 3.713 50 0 FHAALO Cc1ccc(-c2cc(C[N@H+]3CCNC(=O)C[C@@H]3c3ccccc3)on2)cc1 ZINC000194318162 935354302 /nfs/dbraw/zinc/35/43/02/935354302.db2.gz LHLOXFRDAPTRFU-OAQYLSRUSA-N 1 2 361.445 3.713 50 0 FHAALO CC(C)(C)c1nc2ccc(S(=O)(=O)N3CCc4c[nH+]ccc43)cc2s1 ZINC000176737677 935971141 /nfs/dbraw/zinc/97/11/41/935971141.db2.gz INYNOOILBLLGJB-UHFFFAOYSA-N 1 2 373.503 3.740 50 0 FHAALO Cc1ccccc1C(=O)NC1CC[NH+](Cc2csc(C3CC3)n2)CC1 ZINC000136036370 941743537 /nfs/dbraw/zinc/74/35/37/941743537.db2.gz KFQLTWPESMQYPH-UHFFFAOYSA-N 1 2 355.507 3.723 50 0 FHAALO COc1ccc(C(C)=O)cc1C[C@@H](C(=O)c1ccc(C)c(C)c1)[NH+](C)C ZINC000003339983 204092300 /nfs/dbraw/zinc/09/23/00/204092300.db2.gz BZSMWPDPZNXDIN-FQEVSTJZSA-N 1 2 353.462 3.870 50 0 FHAALO O=C(Nc1ccccc1C(F)(F)F)N1CC[NH+](Cc2ccco2)CC1 ZINC000002853029 204061764 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CC(C)(C)OC[C@H](O)C[N@@H+](Cc1ccco1)Cc1ccc(F)cc1F ZINC000036104064 205005034 /nfs/dbraw/zinc/00/50/34/205005034.db2.gz RTSUQDBJWHONAE-MRXNPFEDSA-N 1 2 353.409 3.736 50 0 FHAALO CN(C)c1ncc(C[N@@H+]2CCc3onc(-c4ccccc4F)c3C2)s1 ZINC000039532777 205046083 /nfs/dbraw/zinc/04/60/83/205046083.db2.gz QJBWRBQFMHOHFP-UHFFFAOYSA-N 1 2 358.442 3.562 50 0 FHAALO CN(C)c1ncc(C[N@H+]2CCc3onc(-c4ccccc4F)c3C2)s1 ZINC000039532777 205046085 /nfs/dbraw/zinc/04/60/85/205046085.db2.gz QJBWRBQFMHOHFP-UHFFFAOYSA-N 1 2 358.442 3.562 50 0 FHAALO c1cn(-c2ccc(CNc3nn4cc(-c5ccccc5)nc4s3)cn2)c[nH+]1 ZINC000040059621 205051315 /nfs/dbraw/zinc/05/13/15/205051315.db2.gz PPDPVFMAJAQGJO-UHFFFAOYSA-N 1 2 373.445 3.651 50 0 FHAALO O=S(=O)(CC[N@H+]1CCC[C@H]1c1ccc(O)cc1)c1ccc(Cl)cc1 ZINC000048299632 205155861 /nfs/dbraw/zinc/15/58/61/205155861.db2.gz LHYRPVNGEKXGCO-SFHVURJKSA-N 1 2 365.882 3.656 50 0 FHAALO O=S(=O)(CC[N@@H+]1CCC[C@H]1c1ccc(O)cc1)c1ccc(Cl)cc1 ZINC000048299632 205155865 /nfs/dbraw/zinc/15/58/65/205155865.db2.gz 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Cc1cc(Cl)ccc1NC(=O)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000055566572 136127122 /nfs/dbraw/zinc/12/71/22/136127122.db2.gz IBQFUHPPXVGXPS-UHFFFAOYSA-N 1 2 361.848 3.548 50 0 FHAALO Cc1cccc(-c2noc(C[NH+]3CCN(c4ccc(F)cc4)CC3)n2)c1 ZINC000055562724 136127250 /nfs/dbraw/zinc/12/72/50/136127250.db2.gz DZYQNCIARVKTSN-UHFFFAOYSA-N 1 2 352.413 3.506 50 0 FHAALO Clc1cccc(-c2noc(C[NH+]3CCN(c4ccccc4)CC3)n2)c1 ZINC000057315239 136128621 /nfs/dbraw/zinc/12/86/21/136128621.db2.gz FYYUXFJVGOJORM-UHFFFAOYSA-N 1 2 354.841 3.712 50 0 FHAALO CC(C)(C)COC(=O)N1CCC(c2[nH+]ccn2Cc2cccnc2)CC1 ZINC000091563019 518671278 /nfs/dbraw/zinc/67/12/78/518671278.db2.gz APDZLTMMBDGMAG-UHFFFAOYSA-N 1 2 356.470 3.689 50 0 FHAALO CCOc1ccccc1C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000020189973 521455573 /nfs/dbraw/zinc/45/55/73/521455573.db2.gz HHZRQYXXYPSONC-DHZHZOJOSA-N 1 2 350.462 3.557 50 0 FHAALO CCCc1nc(C(=O)N2CCC[C@H](c3[nH+]ccn3CC3CC3)C2)cs1 ZINC000082138364 521476108 /nfs/dbraw/zinc/47/61/08/521476108.db2.gz 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O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000069949658 571105747 /nfs/dbraw/zinc/10/57/47/571105747.db2.gz NEERSHUGBBCXJQ-FQEVSTJZSA-N 1 2 371.444 3.785 50 0 FHAALO CC(C)Cc1ccc([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000009340578 571105753 /nfs/dbraw/zinc/10/57/53/571105753.db2.gz FZFHVNOYUKOSLR-GOSISDBHSA-N 1 2 351.494 3.732 50 0 FHAALO Cc1c(C[N@H+](C)Cc2c(F)cccc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000033034003 571111274 /nfs/dbraw/zinc/11/12/74/571111274.db2.gz LGSUUZWWARLEGM-UHFFFAOYSA-N 1 2 373.859 3.909 50 0 FHAALO Cc1c(C[N@@H+](C)Cc2c(F)cccc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000033034003 571111279 /nfs/dbraw/zinc/11/12/79/571111279.db2.gz LGSUUZWWARLEGM-UHFFFAOYSA-N 1 2 373.859 3.909 50 0 FHAALO Oc1cccc(C[NH+]2CCN(Cc3ccc4cc(Cl)ccc4n3)CC2)c1 ZINC000244866405 571118269 /nfs/dbraw/zinc/11/82/69/571118269.db2.gz VVNAKQNOOSGLHV-UHFFFAOYSA-N 1 2 367.880 3.912 50 0 FHAALO C[C@@H]1C(=O)N(C[N@H+]2CC=C(c3ccccc3)CC2)C(=O)N1c1ccccc1 ZINC000012869203 571130796 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Cc1ccc2[nH]c(=O)c(C[N@@H+](C)Cc3nnc(-c4ccccc4)o3)cc2c1 ZINC000067896206 571151508 /nfs/dbraw/zinc/15/15/08/571151508.db2.gz PXHSNNOFWHDZEL-UHFFFAOYSA-N 1 2 360.417 3.519 50 0 FHAALO CNc1ncc(C[N@H+](C)Cc2nc(-c3cccc(Cl)c3)oc2C)cn1 ZINC000067907958 571151626 /nfs/dbraw/zinc/15/16/26/571151626.db2.gz YNCAGBQKMQERHW-UHFFFAOYSA-N 1 2 357.845 3.767 50 0 FHAALO CNc1ncc(C[N@@H+](C)Cc2nc(-c3cccc(Cl)c3)oc2C)cn1 ZINC000067907958 571151627 /nfs/dbraw/zinc/15/16/27/571151627.db2.gz YNCAGBQKMQERHW-UHFFFAOYSA-N 1 2 357.845 3.767 50 0 FHAALO CCCSCCCNC(=O)[C@H]1CCCN(c2[nH]c3ccc(C)cc3[nH+]2)C1 ZINC000033072199 571153830 /nfs/dbraw/zinc/15/38/30/571153830.db2.gz SODVOIGLBKBADS-INIZCTEOSA-N 1 2 374.554 3.737 50 0 FHAALO CCCSCCCNC(=O)[C@H]1CCCN(c2[nH]c3cc(C)ccc3[nH+]2)C1 ZINC000033072199 571153831 /nfs/dbraw/zinc/15/38/31/571153831.db2.gz SODVOIGLBKBADS-INIZCTEOSA-N 1 2 374.554 3.737 50 0 FHAALO Cc1ccc2[nH]c(N3CCC[C@H](C(=O)NCc4cccc(C)c4)C3)[nH+]c2c1 ZINC000033072029 571153837 /nfs/dbraw/zinc/15/38/37/571153837.db2.gz ZLAIXANBENFMOM-SFHVURJKSA-N 1 2 362.477 3.713 50 0 FHAALO Cc1ccc2[nH+]c(N3CCC[C@H](C(=O)NCc4cccc(C)c4)C3)[nH]c2c1 ZINC000033072029 571153838 /nfs/dbraw/zinc/15/38/38/571153838.db2.gz ZLAIXANBENFMOM-SFHVURJKSA-N 1 2 362.477 3.713 50 0 FHAALO Cc1ccc2[nH]c(N3CCC[C@H](C(=O)NCCc4cccs4)C3)[nH+]c2c1 ZINC000033072207 571153866 /nfs/dbraw/zinc/15/38/66/571153866.db2.gz XQJWTNFZDAHCLQ-HNNXBMFYSA-N 1 2 368.506 3.508 50 0 FHAALO Cc1ccc2[nH+]c(N3CCC[C@H](C(=O)NCCc4cccs4)C3)[nH]c2c1 ZINC000033072207 571153867 /nfs/dbraw/zinc/15/38/67/571153867.db2.gz XQJWTNFZDAHCLQ-HNNXBMFYSA-N 1 2 368.506 3.508 50 0 FHAALO Cc1cc(NC(=O)CCCc2ccc(C)cc2)n(-c2cc(C)[nH+]c(C)n2)n1 ZINC000075107662 571155588 /nfs/dbraw/zinc/15/55/88/571155588.db2.gz YRGQVBFUKDINRG-UHFFFAOYSA-N 1 2 363.465 3.857 50 0 FHAALO Fc1ccc(/C=C/C[NH+]2CCN(CCOCc3ccc(F)cc3)CC2)cc1 ZINC000075270664 571158900 /nfs/dbraw/zinc/15/89/00/571158900.db2.gz WDQYGKQTXAOIKK-OWOJBTEDSA-N 1 2 372.459 3.812 50 0 FHAALO Cc1ccc(-c2ccnc(N[C@H](C)c3nc(-c4ccccn4)no3)n2)c(C)[nH+]1 ZINC000071551647 571162805 /nfs/dbraw/zinc/16/28/05/571162805.db2.gz HMTIROBMLRYWMW-CQSZACIVSA-N 1 2 373.420 3.774 50 0 FHAALO COCc1cc(CN2CC[NH+](Cc3cccc(Cl)c3)CC2)ccc1OC ZINC000072145365 571172948 /nfs/dbraw/zinc/17/29/48/571172948.db2.gz LPLOGGVKQUOIMV-UHFFFAOYSA-N 1 2 374.912 3.813 50 0 FHAALO Clc1ccc(C[NH+]2CCN(c3cc4c(nn3)CCC4)CC2)c(Cl)c1 ZINC000575621592 571173184 /nfs/dbraw/zinc/17/31/84/571173184.db2.gz ZCTSJCLKZXVARY-UHFFFAOYSA-N 1 2 363.292 3.594 50 0 FHAALO COc1nc2ccccc2cc1CN1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000072154269 571174654 /nfs/dbraw/zinc/17/46/54/571174654.db2.gz MIYLZGNREMNYFO-UHFFFAOYSA-N 1 2 365.452 3.700 50 0 FHAALO COc1nc2ccccc2cc1C[NH+]1CCN(Cc2cccc(F)c2)CC1 ZINC000072154269 571174655 /nfs/dbraw/zinc/17/46/55/571174655.db2.gz MIYLZGNREMNYFO-UHFFFAOYSA-N 1 2 365.452 3.700 50 0 FHAALO CN(C)c1ncc(C[N@@H+]2CCC[C@H]2c2nc(-c3ccccc3)no2)s1 ZINC000072154914 571175075 /nfs/dbraw/zinc/17/50/75/571175075.db2.gz 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ZINC000019148063 571184962 /nfs/dbraw/zinc/18/49/62/571184962.db2.gz XMBZPQXSWRNERI-ZDUSSCGKSA-N 1 2 372.494 3.607 50 0 FHAALO CC(=O)c1ccc(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)s1 ZINC000013003971 571187727 /nfs/dbraw/zinc/18/77/27/571187727.db2.gz HHSOAUGPDKRYOC-CQSZACIVSA-N 1 2 350.871 3.637 50 0 FHAALO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1ccc(F)cc1F)c1ccc(F)cc1 ZINC000012604489 571190536 /nfs/dbraw/zinc/19/05/36/571190536.db2.gz CQDNOMRNPGSUEO-INIZCTEOSA-N 1 2 360.339 3.749 50 0 FHAALO CC(C)n1c2ccccc2nc1[C@H]1c2[nH]c[nH+]c2CCN1Cc1cccnc1 ZINC000072423137 571193633 /nfs/dbraw/zinc/19/36/33/571193633.db2.gz PVFGGUWDJKBCDU-OAQYLSRUSA-N 1 2 372.476 3.883 50 0 FHAALO CCc1ccc2nc(NC3=[NH+]CN([C@H]4CCCC[C@H]4C)CN3)nc(C)c2c1 ZINC000239425729 571195896 /nfs/dbraw/zinc/19/58/96/571195896.db2.gz VCUKEXCNGCUBKI-KUHUBIRLSA-N 1 2 366.513 3.667 50 0 FHAALO Cc1[nH+]ccn1CCCC(=O)N1CCCC[C@@H]1c1nc2ccc(F)cc2[nH]1 ZINC000072436569 571196551 /nfs/dbraw/zinc/19/65/51/571196551.db2.gz RATQAJHDURPCPB-GOSISDBHSA-N 1 2 369.444 3.741 50 0 FHAALO O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCC[C@H](Cn2cc[nH+]c2)C1 ZINC000299803086 571203734 /nfs/dbraw/zinc/20/37/34/571203734.db2.gz WETUWTPFXGPSMP-CYBMUJFWSA-N 1 2 368.359 3.726 50 0 FHAALO CCCN(Cc1ccccc1OC)C(=O)N[C@H](c1[nH+]ccn1C)C(C)C ZINC000534640150 571207325 /nfs/dbraw/zinc/20/73/25/571207325.db2.gz RPWAMTOJNJRPLC-SFHVURJKSA-N 1 2 358.486 3.748 50 0 FHAALO CC(C)CCN1c2ccccc2[C@]2([NH2+]CCc3c4ccccc4[nH]c32)C1=O ZINC000020064195 571207930 /nfs/dbraw/zinc/20/79/30/571207930.db2.gz NLTXWWVPKVSZRQ-HSZRJFAPSA-N 1 2 359.473 3.950 50 0 FHAALO CO[C@H]1CCCN(C(=O)NCC2CCC(c3[nH]c4ccccc4[nH+]3)CC2)C1 ZINC000534676916 571209266 /nfs/dbraw/zinc/20/92/66/571209266.db2.gz ZINBBYCZKBGHQP-JCYILVPMSA-N 1 2 370.497 3.657 50 0 FHAALO CCCNc1ncc(C[N@@H+]2CCC[C@H]2c2nc3cc(F)ccc3[nH]2)cn1 ZINC000077554759 571215349 /nfs/dbraw/zinc/21/53/49/571215349.db2.gz FBARKBMTDIYNDY-KRWDZBQOSA-N 1 2 354.433 3.651 50 0 FHAALO CCCNc1ncc(C[N@H+]2CCC[C@H]2c2nc3cc(F)ccc3[nH]2)cn1 ZINC000077554759 571215352 /nfs/dbraw/zinc/21/53/52/571215352.db2.gz FBARKBMTDIYNDY-KRWDZBQOSA-N 1 2 354.433 3.651 50 0 FHAALO CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000426369824 571215970 /nfs/dbraw/zinc/21/59/70/571215970.db2.gz AKPKVGYWUQTINS-SFHVURJKSA-N 1 2 371.460 3.760 50 0 FHAALO C[C@H](NC(=O)/C=C\c1ccc2c(c1)CCO2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000098002305 571217560 /nfs/dbraw/zinc/21/75/60/571217560.db2.gz YDJITBWQPRSBET-QBIOEUEZSA-N 1 2 359.429 3.698 50 0 FHAALO C[C@@H](NC(=O)c1cccc(Cl)c1)[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000023180996 571226548 /nfs/dbraw/zinc/22/65/48/571226548.db2.gz RZVPOMVMQRGSHT-DYVFJYSZSA-N 1 2 364.898 3.593 50 0 FHAALO C[C@H](NC(=O)c1ccc(Cl)cc1)[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000023181014 571226574 /nfs/dbraw/zinc/22/65/74/571226574.db2.gz GSNHPMOHBGCPTK-GUYCJALGSA-N 1 2 364.898 3.593 50 0 FHAALO Cc1cn2cc(C(=O)N3CCC[C@@H]3c3nc4cc(F)ccc4[nH]3)ccc2[nH+]1 ZINC000082098960 571228144 /nfs/dbraw/zinc/22/81/44/571228144.db2.gz HFLNWYPRLVLFDF-QGZVFWFLSA-N 1 2 363.396 3.635 50 0 FHAALO Cc1nc(-c2ccccc2)c(C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)s1 ZINC000082097744 571228166 /nfs/dbraw/zinc/22/81/66/571228166.db2.gz CWUUNSVAKDULGU-MRXNPFEDSA-N 1 2 366.490 3.872 50 0 FHAALO O=C(NCc1cccc(C(F)(F)F)c1)N1CCC[C@@H](Cn2cc[nH+]c2)C1 ZINC000426500087 571228685 /nfs/dbraw/zinc/22/86/85/571228685.db2.gz LFIBXNUKOWKIFN-HNNXBMFYSA-N 1 2 366.387 3.524 50 0 FHAALO CCCC1(NC(=O)c2csc3c2CC[N@H+](Cc2c(C)noc2C)C3)CC1 ZINC000426632839 571234015 /nfs/dbraw/zinc/23/40/15/571234015.db2.gz DTGDMKYSTKDUMS-UHFFFAOYSA-N 1 2 373.522 3.974 50 0 FHAALO CCCC1(NC(=O)c2csc3c2CC[N@@H+](Cc2c(C)noc2C)C3)CC1 ZINC000426632839 571234016 /nfs/dbraw/zinc/23/40/16/571234016.db2.gz DTGDMKYSTKDUMS-UHFFFAOYSA-N 1 2 373.522 3.974 50 0 FHAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)N3CC=C(C)CC3)csc2C1 ZINC000426661263 571234399 /nfs/dbraw/zinc/23/43/99/571234399.db2.gz NSCRFUZTUCCQKF-UHFFFAOYSA-N 1 2 371.506 3.703 50 0 FHAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)N3CC=C(C)CC3)csc2C1 ZINC000426661263 571234400 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CC(=O)Nc1ccc(C(=O)[C@H](C)[N@H+](C)CCOc2cccc(Cl)c2)cc1 ZINC000014078842 571271553 /nfs/dbraw/zinc/27/15/53/571271553.db2.gz FGKHJVCLVYLLLE-AWEZNQCLSA-N 1 2 374.868 3.880 50 0 FHAALO CC(=O)Nc1ccc(C(=O)[C@H](C)[N@@H+](C)CCOc2cccc(Cl)c2)cc1 ZINC000014078842 571271555 /nfs/dbraw/zinc/27/15/55/571271555.db2.gz FGKHJVCLVYLLLE-AWEZNQCLSA-N 1 2 374.868 3.880 50 0 FHAALO Cc1[nH+]c2ccccc2n1CCNC(=O)[C@H]1C[C@H]1c1ccccc1Cl ZINC000089729980 571272687 /nfs/dbraw/zinc/27/26/87/571272687.db2.gz ARQZRRSIRYMEQU-HOTGVXAUSA-N 1 2 353.853 3.918 50 0 FHAALO Cc1cc(C)cc(C(=O)N2CCC[C@H](Nc3ccc(N(C)C)[nH+]c3)CC2)c1 ZINC000252487221 571280504 /nfs/dbraw/zinc/28/05/04/571280504.db2.gz HTBTZPBIVLSAGU-IBGZPJMESA-N 1 2 366.509 3.871 50 0 FHAALO CCc1ccc(NC(=O)[C@@H](C)[NH+]2CCN(c3cccc(C)c3)CC2)cc1 ZINC000027382082 571288893 /nfs/dbraw/zinc/28/88/93/571288893.db2.gz FIHDJOUKDNZAIK-GOSISDBHSA-N 1 2 351.494 3.707 50 0 FHAALO CCOc1cccc(CNC(=O)C[N@@H+]2CC(C)(C)[C@@H]2c2cccs2)c1 ZINC000253420031 571312885 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COc1cccc(Cl)c1C[N@H+]1CCn2c(nnc2-c2ccccc2)C1 ZINC000093842646 571327247 /nfs/dbraw/zinc/32/72/47/571327247.db2.gz GMQYKULCMSOGJH-UHFFFAOYSA-N 1 2 354.841 3.623 50 0 FHAALO COc1cc(C)ccc1CN[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000095454578 571330033 /nfs/dbraw/zinc/33/00/33/571330033.db2.gz LZCAHYULHGVFOL-RTWAWAEBSA-N 1 2 374.912 3.819 50 0 FHAALO COc1cc(C)ccc1CN[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000095454578 571330034 /nfs/dbraw/zinc/33/00/34/571330034.db2.gz LZCAHYULHGVFOL-RTWAWAEBSA-N 1 2 374.912 3.819 50 0 FHAALO Cc1ccc(OC2CC[NH+](CC(=O)Nc3ccccc3Cl)CC2)nc1 ZINC000095462518 571330237 /nfs/dbraw/zinc/33/02/37/571330237.db2.gz VVTPRDHFFONJBP-UHFFFAOYSA-N 1 2 359.857 3.525 50 0 FHAALO Cc1ccc(C)c(NC(=S)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000020725838 571331669 /nfs/dbraw/zinc/33/16/69/571331669.db2.gz LCHQFHXCHOAZPB-UHFFFAOYSA-N 1 2 355.507 3.945 50 0 FHAALO C[N@H+](CN1N=C(c2ccc(F)cc2)CCC1=O)[C@H]1CCc2ccccc21 ZINC000095949321 571332653 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CCc1ccc(-c2n[nH]c3c2C[N@H+](Cc2nn(C)cc2Cl)CC3)cc1 ZINC000020999409 206335436 /nfs/dbraw/zinc/33/54/36/206335436.db2.gz BMPYTUYTCDCPFP-UHFFFAOYSA-N 1 2 355.873 3.584 50 0 FHAALO CCc1ccc(-c2n[nH]c3c2C[N@@H+](Cc2nn(C)cc2Cl)CC3)cc1 ZINC000020999409 206335440 /nfs/dbraw/zinc/33/54/40/206335440.db2.gz BMPYTUYTCDCPFP-UHFFFAOYSA-N 1 2 355.873 3.584 50 0 FHAALO COc1ccccc1-c1ncc(CN(Cc2[nH+]ccn2C)C2CC2)s1 ZINC000215571187 206347695 /nfs/dbraw/zinc/34/76/95/206347695.db2.gz VGQWKPOCBAZDSV-UHFFFAOYSA-N 1 2 354.479 3.717 50 0 FHAALO COC[C@@H](c1ccccn1)[N@H+](C)Cc1cc(OC)c(OC)cc1Cl ZINC000215428828 206347916 /nfs/dbraw/zinc/34/79/16/206347916.db2.gz JNRNAHBJRPELPO-INIZCTEOSA-N 1 2 350.846 3.572 50 0 FHAALO COC[C@@H](c1ccccn1)[N@@H+](C)Cc1cc(OC)c(OC)cc1Cl ZINC000215428828 206347918 /nfs/dbraw/zinc/34/79/18/206347918.db2.gz JNRNAHBJRPELPO-INIZCTEOSA-N 1 2 350.846 3.572 50 0 FHAALO CC[C@H](O)c1cc2n(n1)CCC[N@H+](Cc1[nH]c3ccc(OC)cc3c1C)C2 ZINC000219732590 206390614 /nfs/dbraw/zinc/39/06/14/206390614.db2.gz ZWQCPBRLPAZJSC-NRFANRHFSA-N 1 2 368.481 3.531 50 0 FHAALO CC[C@H](O)c1cc2n(n1)CCC[N@@H+](Cc1[nH]c3ccc(OC)cc3c1C)C2 ZINC000219732590 206390617 /nfs/dbraw/zinc/39/06/17/206390617.db2.gz ZWQCPBRLPAZJSC-NRFANRHFSA-N 1 2 368.481 3.531 50 0 FHAALO CCc1nc2n(n1)C(=O)C([C@@H](c1ccc(CC)cc1)[NH+]1CCCC1)S2 ZINC000022852974 206394389 /nfs/dbraw/zinc/39/43/89/206394389.db2.gz SUTAXLAOSAOIBW-MRXNPFEDSA-N 1 2 356.495 3.806 50 0 FHAALO CCn1nc(Cc2cccs2)nc1[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000095353120 132206922 /nfs/dbraw/zinc/20/69/22/132206922.db2.gz ISCPMLFDCSQGCT-OAHLLOKOSA-N 1 2 353.495 3.729 50 0 FHAALO Cc1nc(N2CCSCC2)c(N)c(-c2ccc(C(F)(F)F)cc2)[nH+]1 ZINC000096282085 132224754 /nfs/dbraw/zinc/22/47/54/132224754.db2.gz PUZNJZYCESSKDH-UHFFFAOYSA-N 1 2 354.401 3.606 50 0 FHAALO O=C(NCc1ccc(N2CCCCC2)[nH+]c1)c1ccc(Br)cc1 ZINC000096372496 132225210 /nfs/dbraw/zinc/22/52/10/132225210.db2.gz ZIDFFIGHEMUYHR-UHFFFAOYSA-N 1 2 374.282 3.764 50 0 FHAALO CCn1cc[nH+]c1[C@@H]1CCCCN1c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000225479080 132285015 /nfs/dbraw/zinc/28/50/15/132285015.db2.gz AZWCLDIEXAOEHT-HNNXBMFYSA-N 1 2 369.437 3.631 50 0 FHAALO Cc1cccc(NC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)c1C ZINC000033280283 136117535 /nfs/dbraw/zinc/11/75/35/136117535.db2.gz LSANHLJOPQCFNV-UHFFFAOYSA-N 1 2 356.495 3.573 50 0 FHAALO O=C(/C=C/c1ccccc1Cl)NCC1CCN(c2cccc[nH+]2)CC1 ZINC000043975905 136121475 /nfs/dbraw/zinc/12/14/75/136121475.db2.gz IFVYSOSOGWDKED-CMDGGOBGSA-N 1 2 355.869 3.781 50 0 FHAALO Cc1ncc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)s1 ZINC000048325226 136123524 /nfs/dbraw/zinc/12/35/24/136123524.db2.gz YPGQYGPBJRDVOC-HNNXBMFYSA-N 1 2 372.538 3.901 50 0 FHAALO Cc1ncc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)s1 ZINC000048325226 136123525 /nfs/dbraw/zinc/12/35/25/136123525.db2.gz YPGQYGPBJRDVOC-HNNXBMFYSA-N 1 2 372.538 3.901 50 0 FHAALO Cc1ccc(Cl)cc1N1CC[NH+](CC(=O)Nc2ccc(F)cc2)CC1 ZINC000054225111 136125375 /nfs/dbraw/zinc/12/53/75/136125375.db2.gz JEMYJFNZROOUQL-UHFFFAOYSA-N 1 2 361.848 3.548 50 0 FHAALO COc1ccccc1N1CC[NH+](Cc2ncc(-c3ccc(F)cc3)o2)CC1 ZINC000057463325 136129564 /nfs/dbraw/zinc/12/95/64/136129564.db2.gz NMLHONRYZSYZTG-UHFFFAOYSA-N 1 2 367.424 3.812 50 0 FHAALO CCOc1ccccc1N1CC[NH+](Cc2cc(C(C)=O)ccc2OC)CC1 ZINC000057562980 136129636 /nfs/dbraw/zinc/12/96/36/136129636.db2.gz YROWICFNBWKKGQ-UHFFFAOYSA-N 1 2 368.477 3.619 50 0 FHAALO c1cc2nc(-c3ccccc3)cc(N3CCC[C@@H](Cn4cc[nH+]c4)C3)n2n1 ZINC000072165832 136143563 /nfs/dbraw/zinc/14/35/63/136143563.db2.gz JFLVIDIETFTCBN-KRWDZBQOSA-N 1 2 358.449 3.509 50 0 FHAALO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000009114562 263359143 /nfs/dbraw/zinc/35/91/43/263359143.db2.gz QTKGFERNMQMCMN-CQSZACIVSA-N 1 2 370.403 3.610 50 0 FHAALO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000009114562 263359144 /nfs/dbraw/zinc/35/91/44/263359144.db2.gz QTKGFERNMQMCMN-CQSZACIVSA-N 1 2 370.403 3.610 50 0 FHAALO C/C=C/c1ccc(OCC[NH+]2CCN(Cc3ccccc3)CC2)c(OC)c1 ZINC000020482330 518554483 /nfs/dbraw/zinc/55/44/83/518554483.db2.gz VNWZCGDMZXMVPF-XVNBXDOJSA-N 1 2 366.505 3.925 50 0 FHAALO CCOc1ccc(CC(=O)N2CCC[C@@H](c3[nH+]ccn3CC3CC3)C2)cc1 ZINC000082091496 520935024 /nfs/dbraw/zinc/93/50/24/520935024.db2.gz HVOCRIBKMCDZOB-LJQANCHMSA-N 1 2 367.493 3.641 50 0 FHAALO COc1cccc(-c2ccc(C(=O)N3CCC[C@@H](c4[nH+]ccn4C)C3)o2)c1 ZINC000082098604 525713720 /nfs/dbraw/zinc/71/37/20/525713720.db2.gz MKTILPTYKMQJAL-MRXNPFEDSA-N 1 2 365.433 3.709 50 0 FHAALO Cc1cn2cc(C(=O)N3CCC[C@H](COc4cccc(C)c4)C3)ccc2[nH+]1 ZINC000082126108 525945768 /nfs/dbraw/zinc/94/57/68/525945768.db2.gz JJGDUBNBSMTOMP-SFHVURJKSA-N 1 2 363.461 3.882 50 0 FHAALO Cc1ccc(C(=O)N2CCC[C@H](c3[nH+]ccn3Cc3ccncc3)C2)s1 ZINC000091518835 526104431 /nfs/dbraw/zinc/10/44/31/526104431.db2.gz VFHLWKCEPSMCQO-KRWDZBQOSA-N 1 2 366.490 3.716 50 0 FHAALO Cn1c(=[NH2+])n(CC(=O)c2cccc(Br)c2)cc1-c1ccccc1 ZINC000334157600 527020881 /nfs/dbraw/zinc/02/08/81/527020881.db2.gz RAGGEJUPTIWCDC-UHFFFAOYSA-N 1 2 370.250 3.618 50 0 FHAALO O=C(Nc1ccc(F)c(F)c1)N1CCC[C@H](c2[nH+]ccn2CC2CC2)C1 ZINC000082087671 527194190 /nfs/dbraw/zinc/19/41/90/527194190.db2.gz WDTCCKKLQSXEAU-AWEZNQCLSA-N 1 2 360.408 3.983 50 0 FHAALO O=C(Nc1cccc2cnccc21)N1CC[NH+](Cc2ccsc2)CC1 ZINC000085858847 567958568 /nfs/dbraw/zinc/95/85/68/567958568.db2.gz NFFLCRXXTFMFMC-UHFFFAOYSA-N 1 2 352.463 3.646 50 0 FHAALO CC(=O)c1cc(C(=O)N[C@H](CCn2cc[nH+]c2)c2ccccc2)cs1 ZINC000215889979 568094245 /nfs/dbraw/zinc/09/42/45/568094245.db2.gz GNPOSICFHOQTGF-QGZVFWFLSA-N 1 2 353.447 3.709 50 0 FHAALO Cc1ccc2nc(SCCC(=O)NC[C@@H](C)n3cc[nH+]c3)cc(C)c2c1 ZINC000222744658 568559120 /nfs/dbraw/zinc/55/91/20/568559120.db2.gz BXTIMKBXNBUBJI-MRXNPFEDSA-N 1 2 368.506 3.908 50 0 FHAALO Cn1cc[nH+]c1CN(C(=O)C[C@@H](Cc1ccccc1)c1ccco1)C1CC1 ZINC000223074125 568606040 /nfs/dbraw/zinc/60/60/40/568606040.db2.gz KRUHDMYUXQUBII-GOSISDBHSA-N 1 2 363.461 3.921 50 0 FHAALO O=C1[C@H]2CC[C@H](C[N@@H+](Cc3cc(F)ccc3C(F)(F)F)C2)N1CC1CC1 ZINC000091779259 570438379 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O=C(CCSCc1ccc(F)cc1)N1CCC[C@H](Cn2cc[nH+]c2)C1 ZINC000091998153 570444506 /nfs/dbraw/zinc/44/45/06/570444506.db2.gz JCCCSIYRHCYAKP-QGZVFWFLSA-N 1 2 361.486 3.584 50 0 FHAALO Cc1ccccc1-c1ncc(-c2cn(C[C@@H](C)n3cc[nH+]c3)nn2)s1 ZINC000092022451 570445183 /nfs/dbraw/zinc/44/51/83/570445183.db2.gz RBMAMHHIMSJWMA-CQSZACIVSA-N 1 2 350.451 3.835 50 0 FHAALO Cc1ccc(-c2cc(C(=O)N3CCC[C@@H](c4[nH+]ccn4C(C)C)C3)[nH]n2)o1 ZINC000095354468 570452881 /nfs/dbraw/zinc/45/28/81/570452881.db2.gz QAZZHDOXYWFNAS-OAHLLOKOSA-N 1 2 367.453 3.775 50 0 FHAALO CC(C)n1cc[nH+]c1[C@H]1CCCN(C(=O)c2cn(C)c3ccccc23)C1 ZINC000095360919 570454050 /nfs/dbraw/zinc/45/40/50/570454050.db2.gz SAIOFYZJBZCAIC-INIZCTEOSA-N 1 2 350.466 3.976 50 0 FHAALO O=C(c1ccnc2ccccc21)N1CCC(c2[nH+]ccn2CC2CC2)CC1 ZINC000095375550 570457430 /nfs/dbraw/zinc/45/74/30/570457430.db2.gz RMRORSWHKIDPLL-UHFFFAOYSA-N 1 2 360.461 3.861 50 0 FHAALO Cc1cc(N[C@H](c2nccn2C)C(C)C)nc(Nc2cccc(O)c2)[nH+]1 ZINC000095379763 570458368 /nfs/dbraw/zinc/45/83/68/570458368.db2.gz GMXMERQLQTZZQA-KRWDZBQOSA-N 1 2 352.442 3.777 50 0 FHAALO C[C@H](NC(=O)Cn1cc[nH+]c1-c1ccccc1)c1nc2c(s1)CCCC2 ZINC000095497187 570461847 /nfs/dbraw/zinc/46/18/47/570461847.db2.gz WPWJCSYKIIVYHS-AWEZNQCLSA-N 1 2 366.490 3.763 50 0 FHAALO COc1cc(F)c(C(=O)N2CCC[C@H](c3[nH+]ccn3C(C)C)C2)c(F)c1 ZINC000095501309 570462911 /nfs/dbraw/zinc/46/29/11/570462911.db2.gz BXEFJDNHFOUEBA-ZDUSSCGKSA-N 1 2 363.408 3.771 50 0 FHAALO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc(N3CCCC3)c(Cl)c2)C1 ZINC000095509263 570465251 /nfs/dbraw/zinc/46/52/51/570465251.db2.gz VVSKJZYODHZJPI-MRXNPFEDSA-N 1 2 372.900 3.694 50 0 FHAALO Cn1cc[nH+]c1C1CCN(C(=O)CSCc2ccccc2Cl)CC1 ZINC000095512251 570465626 /nfs/dbraw/zinc/46/56/26/570465626.db2.gz KLFVSTPGZCDJLV-UHFFFAOYSA-N 1 2 363.914 3.713 50 0 FHAALO COc1cc(Cl)cc2cc(C(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)oc21 ZINC000095516832 570466392 /nfs/dbraw/zinc/46/63/92/570466392.db2.gz YTSUZUAXHLDSAP-NSHDSACASA-N 1 2 359.813 3.838 50 0 FHAALO O=C(Cc1ccc(F)cc1F)N1CCC[C@@H](c2[nH+]ccn2CC2CC2)C1 ZINC000095526404 570468889 /nfs/dbraw/zinc/46/88/89/570468889.db2.gz WKWFWFXUCYFJTM-MRXNPFEDSA-N 1 2 359.420 3.520 50 0 FHAALO CCCCn1cc[nH+]c1[C@H]1CCCN(C(=O)CCc2scnc2C)C1 ZINC000095531228 570470088 /nfs/dbraw/zinc/47/00/88/570470088.db2.gz LXTLXQGZDZKYPA-INIZCTEOSA-N 1 2 360.527 3.787 50 0 FHAALO Cc1[nH]nc(CCC(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+]2CCCC2)c1C ZINC000096140990 570476687 /nfs/dbraw/zinc/47/66/87/570476687.db2.gz XXDUJDHKXUDWAO-IBGZPJMESA-N 1 2 374.916 3.566 50 0 FHAALO O=C(CCc1cn2ccccc2[nH+]1)N(Cc1ccsc1)C[C@H]1CCCO1 ZINC000097259192 570485963 /nfs/dbraw/zinc/48/59/63/570485963.db2.gz QVPKGUYFOGCQCR-GOSISDBHSA-N 1 2 369.490 3.536 50 0 FHAALO Cc1cc(OC(F)F)ccc1NC(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000097463637 570487873 /nfs/dbraw/zinc/48/78/73/570487873.db2.gz GBXNOBCZBHHBNM-AWEZNQCLSA-N 1 2 350.369 3.603 50 0 FHAALO O=C(c1ccc(-n2cc[nH+]c2)cc1)N(Cc1ccco1)Cc1ccccn1 ZINC000097574959 570491335 /nfs/dbraw/zinc/49/13/35/570491335.db2.gz ONEWOWLABSHMJU-UHFFFAOYSA-N 1 2 358.401 3.703 50 0 FHAALO CCc1nc(C)sc1C[N@@H+]1CCc2nc(-c3cccc(OC)c3)[nH]c2C1 ZINC000097698917 570492562 /nfs/dbraw/zinc/49/25/62/570492562.db2.gz LRQZTJZBPVBPEC-UHFFFAOYSA-N 1 2 368.506 3.971 50 0 FHAALO CCc1nc(C)sc1C[N@H+]1CCc2nc(-c3cccc(OC)c3)[nH]c2C1 ZINC000097698917 570492564 /nfs/dbraw/zinc/49/25/64/570492564.db2.gz LRQZTJZBPVBPEC-UHFFFAOYSA-N 1 2 368.506 3.971 50 0 FHAALO Cc1ccc([C@H](C2Sc3ncnn3C2=O)[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000033384230 570513304 /nfs/dbraw/zinc/51/33/04/570513304.db2.gz QSFMLTRNMJEJIR-IJEWVQPXSA-N 1 2 356.495 3.872 50 0 FHAALO Cc1ccc([C@H](C2Sc3ncnn3C2=O)[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000033384230 570513305 /nfs/dbraw/zinc/51/33/05/570513305.db2.gz QSFMLTRNMJEJIR-IJEWVQPXSA-N 1 2 356.495 3.872 50 0 FHAALO Cc1ccoc1C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000011767170 570594851 /nfs/dbraw/zinc/59/48/51/570594851.db2.gz ZPFYFAZBMINVEK-UHFFFAOYSA-N 1 2 353.447 3.855 50 0 FHAALO Cc1ccoc1C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000011767170 570594853 /nfs/dbraw/zinc/59/48/53/570594853.db2.gz ZPFYFAZBMINVEK-UHFFFAOYSA-N 1 2 353.447 3.855 50 0 FHAALO CN(Cc1cc(-c2ccccc2)n[nH]1)C(=O)c1ccccc1-c1[nH+]ccn1C ZINC000426477620 570606266 /nfs/dbraw/zinc/60/62/66/570606266.db2.gz AUCVGTHPNIHELV-UHFFFAOYSA-N 1 2 371.444 3.749 50 0 FHAALO COc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3cc(C(C)C)n[nH]3)C2)cc1OC ZINC000011817990 570707674 /nfs/dbraw/zinc/70/76/74/570707674.db2.gz YJGOKAPJWUPADQ-INIZCTEOSA-N 1 2 371.481 3.645 50 0 FHAALO COc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3cc(C(C)C)n[nH]3)C2)cc1OC ZINC000011817990 570707677 /nfs/dbraw/zinc/70/76/77/570707677.db2.gz YJGOKAPJWUPADQ-INIZCTEOSA-N 1 2 371.481 3.645 50 0 FHAALO O=C(C[C@@H](c1ccccc1)c1cccc(Cl)c1)NCCc1c[nH+]c[nH]1 ZINC000011934419 570712042 /nfs/dbraw/zinc/71/20/42/570712042.db2.gz AEMAQMMRIUGHJE-IBGZPJMESA-N 1 2 353.853 3.944 50 0 FHAALO O=C(C[C@@H](c1ccccc1)c1cccc(Cl)c1)NCCc1c[nH]c[nH+]1 ZINC000011934419 570712046 /nfs/dbraw/zinc/71/20/46/570712046.db2.gz AEMAQMMRIUGHJE-IBGZPJMESA-N 1 2 353.853 3.944 50 0 FHAALO Cc1nn2c(nc3c(c2NCCCn2cc[nH+]c2)CCC3)c1-c1ccccc1 ZINC000012421717 570743656 /nfs/dbraw/zinc/74/36/56/570743656.db2.gz ACADMFZOXGIZBL-UHFFFAOYSA-N 1 2 372.476 3.892 50 0 FHAALO O=C(CCC(=O)c1ccccc1)N[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000012438592 570745447 /nfs/dbraw/zinc/74/54/47/570745447.db2.gz BCPWKFKSUGCSLC-LJQANCHMSA-N 1 2 368.452 3.569 50 0 FHAALO O=C(CCC(=O)c1ccccc1)N[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000012438592 570745451 /nfs/dbraw/zinc/74/54/51/570745451.db2.gz BCPWKFKSUGCSLC-LJQANCHMSA-N 1 2 368.452 3.569 50 0 FHAALO O=C(NCc1[nH]cc[nH+]1)c1ccc2nc(Cc3cccc(Cl)c3)oc2c1 ZINC000012440786 570746150 /nfs/dbraw/zinc/74/61/50/570746150.db2.gz MAPZSMJVXFJHDR-UHFFFAOYSA-N 1 2 366.808 3.725 50 0 FHAALO C[C@@H]1CCc2c(C(=O)N3CC[NH+](Cc4ccccc4)CC3)csc2C1 ZINC000017357837 570750402 /nfs/dbraw/zinc/75/04/02/570750402.db2.gz WVDAGBHSSYFZPD-MRXNPFEDSA-N 1 2 354.519 3.831 50 0 FHAALO c1ccc(CO[C@@H]2CCC[N@H+](Cc3nc(Cc4ccccc4)no3)C2)cc1 ZINC000013594416 570780023 /nfs/dbraw/zinc/78/00/23/570780023.db2.gz OXQUWTGXGUJSBI-HXUWFJFHSA-N 1 2 363.461 3.842 50 0 FHAALO c1ccc(CO[C@@H]2CCC[N@@H+](Cc3nc(Cc4ccccc4)no3)C2)cc1 ZINC000013594416 570780027 /nfs/dbraw/zinc/78/00/27/570780027.db2.gz OXQUWTGXGUJSBI-HXUWFJFHSA-N 1 2 363.461 3.842 50 0 FHAALO O=C(C[N@H+]1CCC[C@H]1c1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2 ZINC000032777618 570795829 /nfs/dbraw/zinc/79/58/29/570795829.db2.gz ZRMRAWGFEVNOPS-INIZCTEOSA-N 1 2 358.825 3.844 50 0 FHAALO O=C(C[N@@H+]1CCC[C@H]1c1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2 ZINC000032777618 570795834 /nfs/dbraw/zinc/79/58/34/570795834.db2.gz ZRMRAWGFEVNOPS-INIZCTEOSA-N 1 2 358.825 3.844 50 0 FHAALO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc(F)c(F)c2F)cc1F ZINC000014095880 570805424 /nfs/dbraw/zinc/80/54/24/570805424.db2.gz JVUNYPINJJKUSK-JTQLQIEISA-N 1 2 370.346 3.711 50 0 FHAALO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(F)c(F)c2F)cc1F ZINC000014095880 570805428 /nfs/dbraw/zinc/80/54/28/570805428.db2.gz JVUNYPINJJKUSK-JTQLQIEISA-N 1 2 370.346 3.711 50 0 FHAALO Fc1ccc(C(c2ccc(F)cc2)[NH+]2CCN(c3cnccn3)CC2)cc1 ZINC000014112805 570806283 /nfs/dbraw/zinc/80/62/83/570806283.db2.gz ZECVIYLGRUGIFS-UHFFFAOYSA-N 1 2 366.415 3.666 50 0 FHAALO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cn2nc3ccccn3c2=S)c1 ZINC000014121048 570806949 /nfs/dbraw/zinc/80/69/49/570806949.db2.gz IFBPHAMBQBWKLJ-INIZCTEOSA-N 1 2 370.478 3.677 50 0 FHAALO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cn2nc3ccccn3c2=S)c1 ZINC000014121048 570806951 /nfs/dbraw/zinc/80/69/51/570806951.db2.gz IFBPHAMBQBWKLJ-INIZCTEOSA-N 1 2 370.478 3.677 50 0 FHAALO Cc1ccc(N2CC[N@@H+](CC(=O)Nc3cccc(C)c3C)C[C@H]2C)cc1 ZINC000014216278 570813015 /nfs/dbraw/zinc/81/30/15/570813015.db2.gz NKXFFBLWMFVXMQ-GOSISDBHSA-N 1 2 351.494 3.761 50 0 FHAALO Cc1ccc(N2CC[N@H+](CC(=O)Nc3cccc(C)c3C)C[C@H]2C)cc1 ZINC000014216278 570813018 /nfs/dbraw/zinc/81/30/18/570813018.db2.gz NKXFFBLWMFVXMQ-GOSISDBHSA-N 1 2 351.494 3.761 50 0 FHAALO O=C(Cc1cccc(C(F)(F)F)c1)NCc1ccccc1Cn1cc[nH+]c1 ZINC000032855868 570822112 /nfs/dbraw/zinc/82/21/12/570822112.db2.gz IMZXLXWVVNLCAE-UHFFFAOYSA-N 1 2 373.378 3.809 50 0 FHAALO CC[C@@H]1CCCC[N@@H+]1Cc1cc(=O)n2nc(-c3ccc(Cl)cc3)[nH]c2n1 ZINC000101747351 570823281 /nfs/dbraw/zinc/82/32/81/570823281.db2.gz WCDNOYFJTHYSFO-MRXNPFEDSA-N 1 2 371.872 3.503 50 0 FHAALO CC[C@@H]1CCCC[N@H+]1Cc1cc(=O)n2nc(-c3ccc(Cl)cc3)[nH]c2n1 ZINC000101747351 570823286 /nfs/dbraw/zinc/82/32/86/570823286.db2.gz WCDNOYFJTHYSFO-MRXNPFEDSA-N 1 2 371.872 3.503 50 0 FHAALO O=C(CC[C@@H]1CCCN(c2cc(NC3CC3)[nH+]cn2)C1)Nc1ccccc1 ZINC000065245326 570825435 /nfs/dbraw/zinc/82/54/35/570825435.db2.gz BRKKBLQVMPEWKD-INIZCTEOSA-N 1 2 365.481 3.686 50 0 FHAALO O=C(CC[C@@H]1CCCN(c2cc(NC3CC3)nc[nH+]2)C1)Nc1ccccc1 ZINC000065245326 570825438 /nfs/dbraw/zinc/82/54/38/570825438.db2.gz BRKKBLQVMPEWKD-INIZCTEOSA-N 1 2 365.481 3.686 50 0 FHAALO C[N@@H+](Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)C[C@H]1CCCCO1 ZINC000014963312 570827376 /nfs/dbraw/zinc/82/73/76/570827376.db2.gz WYZVVJZHYHGPKV-CQSZACIVSA-N 1 2 355.360 3.756 50 0 FHAALO C[N@H+](Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)C[C@H]1CCCCO1 ZINC000014963312 570827378 /nfs/dbraw/zinc/82/73/78/570827378.db2.gz WYZVVJZHYHGPKV-CQSZACIVSA-N 1 2 355.360 3.756 50 0 FHAALO COc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2nc3ccccc3s2)cc1 ZINC000015025718 570829849 /nfs/dbraw/zinc/82/98/49/570829849.db2.gz AWMSAEDNESYRTK-ZDUSSCGKSA-N 1 2 355.463 3.764 50 0 FHAALO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2nc3ccccc3s2)cc1 ZINC000015025718 570829851 /nfs/dbraw/zinc/82/98/51/570829851.db2.gz AWMSAEDNESYRTK-ZDUSSCGKSA-N 1 2 355.463 3.764 50 0 FHAALO COc1ccccc1CC(=O)NCc1ccc[nH+]c1N1CCCCCCC1 ZINC000015070162 570831462 /nfs/dbraw/zinc/83/14/62/570831462.db2.gz YASXZPPSWJNVFP-UHFFFAOYSA-N 1 2 367.493 3.720 50 0 FHAALO c1s/c(=N\c2ccccc2)n(CC[NH+]2CCOCC2)c1-c1ccccc1 ZINC000015227358 570835948 /nfs/dbraw/zinc/83/59/48/570835948.db2.gz AWOZOTYYIIZEQB-DQRAZIAOSA-N 1 2 365.502 3.781 50 0 FHAALO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(Cl)cc1Cl ZINC000016378462 570855135 /nfs/dbraw/zinc/85/51/35/570855135.db2.gz CKRWSEWFGOMXBV-GFCCVEGCSA-N 1 2 369.296 3.803 50 0 FHAALO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(Cl)cc1Cl ZINC000016378462 570855138 /nfs/dbraw/zinc/85/51/38/570855138.db2.gz CKRWSEWFGOMXBV-GFCCVEGCSA-N 1 2 369.296 3.803 50 0 FHAALO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1ccc2ccccc2c1O ZINC000032914492 570856357 /nfs/dbraw/zinc/85/63/57/570856357.db2.gz WFJFAQYAHBFLJJ-UHFFFAOYSA-N 1 2 357.413 3.720 50 0 FHAALO CCCOc1ccc(C(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)cc1 ZINC000016605793 570859193 /nfs/dbraw/zinc/85/91/93/570859193.db2.gz XTVBBBCOIGMELQ-UHFFFAOYSA-N 1 2 356.441 3.573 50 0 FHAALO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1cc2cc(F)ccc2s1 ZINC000032930281 570869677 /nfs/dbraw/zinc/86/96/77/570869677.db2.gz QYZJEWBSEWMOEW-UHFFFAOYSA-N 1 2 355.438 3.834 50 0 FHAALO Cc1cc(NC(=O)c2ccc(SCc3cn4ccccc4[nH+]3)cc2)n[nH]1 ZINC000032937096 570873617 /nfs/dbraw/zinc/87/36/17/570873617.db2.gz ACIUFVCURFBOLC-UHFFFAOYSA-N 1 2 363.446 3.910 50 0 FHAALO COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H]3c3nonc3C)c(C)o2)cc1C ZINC000019218667 570882238 /nfs/dbraw/zinc/88/22/38/570882238.db2.gz DXACVTXXWGZCSN-QGZVFWFLSA-N 1 2 368.437 3.996 50 0 FHAALO COc1ccc(-c2nc(C[N@H+]3CCC[C@@H]3c3nonc3C)c(C)o2)cc1C ZINC000019218667 570882240 /nfs/dbraw/zinc/88/22/40/570882240.db2.gz DXACVTXXWGZCSN-QGZVFWFLSA-N 1 2 368.437 3.996 50 0 FHAALO CN1CC[N@H+](Cc2cccc(Oc3ccc(Cl)cc3)c2)C[C@@H]1CCO ZINC000019222371 570882543 /nfs/dbraw/zinc/88/25/43/570882543.db2.gz RWYSOLKCGUOJGJ-SFHVURJKSA-N 1 2 360.885 3.631 50 0 FHAALO CN1CC[N@@H+](Cc2cccc(Oc3ccc(Cl)cc3)c2)C[C@@H]1CCO ZINC000019222371 570882545 /nfs/dbraw/zinc/88/25/45/570882545.db2.gz RWYSOLKCGUOJGJ-SFHVURJKSA-N 1 2 360.885 3.631 50 0 FHAALO COc1cccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H](C)c2nnc[nH]2)c1 ZINC000019742897 570901803 /nfs/dbraw/zinc/90/18/03/570901803.db2.gz DTDGHDXYEAYSGD-HNNXBMFYSA-N 1 2 374.448 3.517 50 0 FHAALO O=c1[nH]c(=S)n(-c2ccc(F)cc2)c2c1C[N@H+](C1CCCCC1)CN2 ZINC000020479198 570917829 /nfs/dbraw/zinc/91/78/29/570917829.db2.gz NNUWUSVUIRFIPP-UHFFFAOYSA-N 1 2 360.458 3.552 50 0 FHAALO O=c1[nH]c(=S)n(-c2ccc(F)cc2)c2c1C[N@@H+](C1CCCCC1)CN2 ZINC000020479198 570917835 /nfs/dbraw/zinc/91/78/35/570917835.db2.gz NNUWUSVUIRFIPP-UHFFFAOYSA-N 1 2 360.458 3.552 50 0 FHAALO C[C@@H]1c2ccsc2CC[N@H+]1CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000021584708 570931412 /nfs/dbraw/zinc/93/14/12/570931412.db2.gz YVXKMMKVKGRXBL-GFCCVEGCSA-N 1 2 355.912 3.795 50 0 FHAALO C[C@@H]1c2ccsc2CC[N@@H+]1CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000021584708 570931414 /nfs/dbraw/zinc/93/14/14/570931414.db2.gz YVXKMMKVKGRXBL-GFCCVEGCSA-N 1 2 355.912 3.795 50 0 FHAALO COc1cc(CNCC[NH+](C)C)ccc1OCc1ccc(F)cc1Cl ZINC000022074920 570939297 /nfs/dbraw/zinc/93/92/97/570939297.db2.gz FOKKRQHWQORCNJ-UHFFFAOYSA-N 1 2 366.864 3.718 50 0 FHAALO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1n[nH]c2ccccc21 ZINC000022619603 570947798 /nfs/dbraw/zinc/94/77/98/570947798.db2.gz MDJOFLMXDIHEMX-GOSISDBHSA-N 1 2 368.868 3.783 50 0 FHAALO Cc1cccc(C)c1NC(=O)[C@@H](C)N1CC[NH+](Cc2ccsc2)CC1 ZINC000022916252 570952470 /nfs/dbraw/zinc/95/24/70/570952470.db2.gz NRSJWIRQZZRPED-QGZVFWFLSA-N 1 2 357.523 3.510 50 0 FHAALO CC(C)(C)c1ccc(C(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000023955869 570969398 /nfs/dbraw/zinc/96/93/98/570969398.db2.gz HNGMREOSFHUSGX-UHFFFAOYSA-N 1 2 366.505 3.746 50 0 FHAALO C[C@H](Oc1ccccc1Cl)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000024437865 570975686 /nfs/dbraw/zinc/97/56/86/570975686.db2.gz OBIVTPVYSLIXGQ-HNNXBMFYSA-N 1 2 369.852 3.669 50 0 FHAALO O=C(C[N@@H+]1CCc2ccccc2C1)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000024716275 570980558 /nfs/dbraw/zinc/98/05/58/570980558.db2.gz GZPMAQQZWYMOHM-UHFFFAOYSA-N 1 2 372.472 3.747 50 0 FHAALO O=C(C[N@H+]1CCc2ccccc2C1)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000024716275 570980562 /nfs/dbraw/zinc/98/05/62/570980562.db2.gz GZPMAQQZWYMOHM-UHFFFAOYSA-N 1 2 372.472 3.747 50 0 FHAALO CC[N@H+](Cc1nc(-c2ccsc2)no1)Cc1ccc(OC)c(OC)c1 ZINC000025357999 570995053 /nfs/dbraw/zinc/99/50/53/570995053.db2.gz HOQDXOPVJQFCRJ-UHFFFAOYSA-N 1 2 359.451 3.837 50 0 FHAALO CC[N@@H+](Cc1nc(-c2ccsc2)no1)Cc1ccc(OC)c(OC)c1 ZINC000025357999 570995057 /nfs/dbraw/zinc/99/50/57/570995057.db2.gz HOQDXOPVJQFCRJ-UHFFFAOYSA-N 1 2 359.451 3.837 50 0 FHAALO FC(F)(F)CN1CC[NH+](Cc2c(-c3ccccc3)nc3ccccn32)CC1 ZINC000025682539 570998465 /nfs/dbraw/zinc/99/84/65/570998465.db2.gz ILPZQHFLFZYWRO-UHFFFAOYSA-N 1 2 374.410 3.681 50 0 FHAALO CC(C)[C@@H](NC(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1ccccc1 ZINC000026302860 571004038 /nfs/dbraw/zinc/00/40/38/571004038.db2.gz ADKXYTQUEWKNEA-HXUWFJFHSA-N 1 2 352.482 3.878 50 0 FHAALO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1cc2c(s1)CCCC2 ZINC000027544850 571013379 /nfs/dbraw/zinc/01/33/79/571013379.db2.gz YRFBILQDMDXKCR-UHFFFAOYSA-N 1 2 351.475 3.802 50 0 FHAALO Cc1c2cc(F)ccc2oc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000028228398 571028245 /nfs/dbraw/zinc/02/82/45/571028245.db2.gz VHGPKASBAWCKBR-UHFFFAOYSA-N 1 2 352.409 3.838 50 0 FHAALO C[C@H](NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F)c1ccccc1F ZINC000029330509 571038730 /nfs/dbraw/zinc/03/87/30/571038730.db2.gz BIFKCODWDSBOSY-SCLBCKFNSA-N 1 2 370.403 3.848 50 0 FHAALO Cc1cc(N2CCN(Cc3csc(C(C)(C)C)n3)CC2)nc(C(C)C)[nH+]1 ZINC000029709464 571042964 /nfs/dbraw/zinc/04/29/64/571042964.db2.gz HBGIQORUICXPOL-UHFFFAOYSA-N 1 2 373.570 3.985 50 0 FHAALO Cc1[nH+]c2ccccc2n1CC1CCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000038534968 571044652 /nfs/dbraw/zinc/04/46/52/571044652.db2.gz ICWAIIYGFBTFMQ-UHFFFAOYSA-N 1 2 365.452 3.965 50 0 FHAALO C[C@H](c1nc(C(C)(C)C)no1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000029962233 571044967 /nfs/dbraw/zinc/04/49/67/571044967.db2.gz ZVPVOAYIDHXDEV-CQSZACIVSA-N 1 2 362.905 3.899 50 0 FHAALO COc1cc2c(cc1C[NH2+][C@H](c1nccn1C)c1ccccc1)O[C@@H](C)C2 ZINC000030643471 571048771 /nfs/dbraw/zinc/04/87/71/571048771.db2.gz XLPGIVOPMKAQCC-BTYIYWSLSA-N 1 2 363.461 3.631 50 0 FHAALO CC(C)c1nc2cc(NC(=O)[C@@H]3CCC[N@@H+]3Cc3ccccn3)ccc2o1 ZINC000072294367 571050479 /nfs/dbraw/zinc/05/04/79/571050479.db2.gz WJFYMQURXIGQDP-SFHVURJKSA-N 1 2 364.449 3.949 50 0 FHAALO CC(C)c1nc2cc(NC(=O)[C@@H]3CCC[N@H+]3Cc3ccccn3)ccc2o1 ZINC000072294367 571050483 /nfs/dbraw/zinc/05/04/83/571050483.db2.gz WJFYMQURXIGQDP-SFHVURJKSA-N 1 2 364.449 3.949 50 0 FHAALO O=C(N[C@@H]1CCCC[C@@H]1n1cccn1)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000072307220 571064295 /nfs/dbraw/zinc/06/42/95/571064295.db2.gz AOFXJYYCUKTACU-UXHICEINSA-N 1 2 362.433 3.984 50 0 FHAALO CNC(=S)N1[NH+]=C(c2ccc(N(C)C)cc2)C[C@@H]1c1cccc(C)c1 ZINC000225780596 571065348 /nfs/dbraw/zinc/06/53/48/571065348.db2.gz KTCTWUGDLJRJEJ-LJQANCHMSA-N 1 2 352.507 3.716 50 0 FHAALO O=C(C1CC=CC1)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000328589876 571082954 /nfs/dbraw/zinc/08/29/54/571082954.db2.gz MQFVVHRGGYYSMW-UHFFFAOYSA-N 1 2 374.282 3.641 50 0 FHAALO O=S(=O)(CC[N@H+]1CCC[C@H]1Cc1ccccc1Cl)c1ccccc1 ZINC000084558654 571089495 /nfs/dbraw/zinc/08/94/95/571089495.db2.gz XAGUWIXZILYAEP-KRWDZBQOSA-N 1 2 363.910 3.821 50 0 FHAALO O=S(=O)(CC[N@@H+]1CCC[C@H]1Cc1ccccc1Cl)c1ccccc1 ZINC000084558654 571089497 /nfs/dbraw/zinc/08/94/97/571089497.db2.gz XAGUWIXZILYAEP-KRWDZBQOSA-N 1 2 363.910 3.821 50 0 FHAALO Cc1cscc1C(=O)N1CCC[C@H](Nc2ccc(N(C)C)[nH+]c2)CC1 ZINC000241135405 571109561 /nfs/dbraw/zinc/10/95/61/571109561.db2.gz JPBVQFIYRIKUCS-HNNXBMFYSA-N 1 2 358.511 3.624 50 0 FHAALO CC(C)c1cc(CNC(=O)[C@H](c2ccc(F)cc2)[NH+]2CCCCC2)no1 ZINC000244788089 571116465 /nfs/dbraw/zinc/11/64/65/571116465.db2.gz QJFLXUPWZBWFEE-IBGZPJMESA-N 1 2 359.445 3.781 50 0 FHAALO Cc1cc(C)c(NC(=O)C[N@@H+](C)Cc2cc(F)cc3c2OCOC3)c(C)c1 ZINC000012906138 571143410 /nfs/dbraw/zinc/14/34/10/571143410.db2.gz OQSNQGGWKLAEKL-UHFFFAOYSA-N 1 2 372.440 3.688 50 0 FHAALO Cc1cc(C)c(NC(=O)C[N@H+](C)Cc2cc(F)cc3c2OCOC3)c(C)c1 ZINC000012906138 571143413 /nfs/dbraw/zinc/14/34/13/571143413.db2.gz OQSNQGGWKLAEKL-UHFFFAOYSA-N 1 2 372.440 3.688 50 0 FHAALO CCOc1ccc(OCC)c(NC(=O)C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000011218640 571151652 /nfs/dbraw/zinc/15/16/52/571151652.db2.gz YBEKOCLVOPGZDM-CYBMUJFWSA-N 1 2 374.403 3.697 50 0 FHAALO CCOc1ccc(OCC)c(NC(=O)C[N@H+]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000011218640 571151654 /nfs/dbraw/zinc/15/16/54/571151654.db2.gz YBEKOCLVOPGZDM-CYBMUJFWSA-N 1 2 374.403 3.697 50 0 FHAALO O=C(NC1CCCCC1)C1CC[NH+](Cc2cnc(-c3cccs3)[nH]2)CC1 ZINC000075109095 571155842 /nfs/dbraw/zinc/15/58/42/571155842.db2.gz ZOTYBVKDVSCEHM-UHFFFAOYSA-N 1 2 372.538 3.799 50 0 FHAALO Cc1cc(C)c2[nH]c(=O)c([C@@H]3c4[nH+]c[nH]c4CCN3Cc3ccco3)cc2c1 ZINC000071415682 571161353 /nfs/dbraw/zinc/16/13/53/571161353.db2.gz ILMDARXBEIJEBS-OAQYLSRUSA-N 1 2 374.444 3.609 50 0 FHAALO Clc1nc2sccn2c1C[N@@H+]1CCC[C@@H](OCc2cccnc2)C1 ZINC000071589606 571162938 /nfs/dbraw/zinc/16/29/38/571162938.db2.gz ISVFFAGMVNWANB-CQSZACIVSA-N 1 2 362.886 3.625 50 0 FHAALO Clc1nc2sccn2c1C[N@H+]1CCC[C@@H](OCc2cccnc2)C1 ZINC000071589606 571162939 /nfs/dbraw/zinc/16/29/39/571162939.db2.gz ISVFFAGMVNWANB-CQSZACIVSA-N 1 2 362.886 3.625 50 0 FHAALO COc1nc2ccccc2cc1[C@@H]1c2[nH]c[nH+]c2CCN1Cc1ccoc1 ZINC000071750412 571164626 /nfs/dbraw/zinc/16/46/26/571164626.db2.gz UEPVTIKXIZNTLA-HXUWFJFHSA-N 1 2 360.417 3.707 50 0 FHAALO COc1ccc2oc(C(=O)N3CCC[C@@H](Oc4cc[nH+]cc4)C3)cc2c1 ZINC000575614275 571165956 /nfs/dbraw/zinc/16/59/56/571165956.db2.gz YDXUOTKBFOMRCK-QGZVFWFLSA-N 1 2 352.390 3.520 50 0 FHAALO CCn1cc(C[N@@H+]2CCO[C@@H](c3ccc4cc(OC)ccc4c3)C2)c(C)n1 ZINC000071764174 571166112 /nfs/dbraw/zinc/16/61/12/571166112.db2.gz VQMFHLJLUABOBF-JOCHJYFZSA-N 1 2 365.477 3.947 50 0 FHAALO CCn1cc(C[N@H+]2CCO[C@@H](c3ccc4cc(OC)ccc4c3)C2)c(C)n1 ZINC000071764174 571166113 /nfs/dbraw/zinc/16/61/13/571166113.db2.gz VQMFHLJLUABOBF-JOCHJYFZSA-N 1 2 365.477 3.947 50 0 FHAALO O=C(N[C@H](Cc1[nH]cc[nH+]1)c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000012531934 571175199 /nfs/dbraw/zinc/17/51/99/571175199.db2.gz XRAARQAPRUUHKY-MRXNPFEDSA-N 1 2 357.360 3.725 50 0 FHAALO O=C(c1cc(-c2cccnc2)nc2ccccc21)N1CCCn2c[nH+]cc2C1 ZINC000072164319 571176287 /nfs/dbraw/zinc/17/62/87/571176287.db2.gz UAZKDFBEGNGUGN-UHFFFAOYSA-N 1 2 369.428 3.539 50 0 FHAALO C[C@H](Sc1ccccc1)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000012538800 571176611 /nfs/dbraw/zinc/17/66/11/571176611.db2.gz FMFPVDRCDRPREY-KBXCAEBGSA-N 1 2 369.465 3.946 50 0 FHAALO Cc1nn(C)c(C)c1C=CC(=O)Nc1ccc2[nH]c(C(C)(C)C)[nH+]c2c1 ZINC000032465485 571185231 /nfs/dbraw/zinc/18/52/31/571185231.db2.gz ZHFXLCOERQARHS-CSKARUKUSA-N 1 2 351.454 3.863 50 0 FHAALO CCOc1ccc(C[N@H+](C)Cc2nc3sc(C)c(C)c3c(N)n2)cc1 ZINC000012596902 571188216 /nfs/dbraw/zinc/18/82/16/571188216.db2.gz YWAMLZCQOMXWTH-UHFFFAOYSA-N 1 2 356.495 3.921 50 0 FHAALO CCOc1ccc(C[N@@H+](C)Cc2nc3sc(C)c(C)c3c(N)n2)cc1 ZINC000012596902 571188218 /nfs/dbraw/zinc/18/82/18/571188218.db2.gz YWAMLZCQOMXWTH-UHFFFAOYSA-N 1 2 356.495 3.921 50 0 FHAALO COc1cccc([C@@H](CNC(=O)c2ccc(C(C)=O)s2)[NH+]2CCCC2)c1 ZINC000013010719 571188296 /nfs/dbraw/zinc/18/82/96/571188296.db2.gz AOKCLUXNOFFKKI-QGZVFWFLSA-N 1 2 372.490 3.526 50 0 FHAALO CCc1sc(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(OC)cc2)cc1C ZINC000012602186 571190152 /nfs/dbraw/zinc/19/01/52/571190152.db2.gz PNOGGGZPENLYCO-GOSISDBHSA-N 1 2 369.490 3.880 50 0 FHAALO CCC[C@@H](C)n1nccc1NC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000299765495 571194602 /nfs/dbraw/zinc/19/46/02/571194602.db2.gz HLAJUMQPVMKBSF-OAHLLOKOSA-N 1 2 361.515 3.655 50 0 FHAALO Cc1ncoc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000072431632 571195646 /nfs/dbraw/zinc/19/56/46/571195646.db2.gz SLOADKQENNZBQK-UHFFFAOYSA-N 1 2 361.445 3.530 50 0 FHAALO Cc1nc(-n2ccnc2)cc(Nc2ccc(NC(=O)C(C)(C)C)cc2)[nH+]1 ZINC000072434193 571196254 /nfs/dbraw/zinc/19/62/54/571196254.db2.gz FMEUXWJFTAPMJG-UHFFFAOYSA-N 1 2 350.426 3.699 50 0 FHAALO Cc1c2[nH+]c[nH]c2cc(NC(=O)NCC[C@@H]2COc3ccccc3O2)c1C ZINC000299779015 571197558 /nfs/dbraw/zinc/19/75/58/571197558.db2.gz POQDPEMODWRQSU-CQSZACIVSA-N 1 2 366.421 3.531 50 0 FHAALO Cc1c2[nH]c[nH+]c2cc(NC(=O)NCC[C@@H]2COc3ccccc3O2)c1C ZINC000299779015 571197560 /nfs/dbraw/zinc/19/75/60/571197560.db2.gz POQDPEMODWRQSU-CQSZACIVSA-N 1 2 366.421 3.531 50 0 FHAALO C[C@H](C(=O)c1c[nH]c2ccccc12)[NH+]1CCN(c2ccccc2F)CC1 ZINC000035848172 571206779 /nfs/dbraw/zinc/20/67/79/571206779.db2.gz CRCDVIVLOUQHIJ-OAHLLOKOSA-N 1 2 351.425 3.700 50 0 FHAALO Cc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@]31c2ccccc2N(CC(C)C)C1=O ZINC000020064212 571207997 /nfs/dbraw/zinc/20/79/97/571207997.db2.gz JHUPDIVXBFEUFG-QHCPKHFHSA-N 1 2 359.473 3.868 50 0 FHAALO Cc1cccc(NC(=O)N[C@H](C)[C@@H](c2cccs2)[NH+]2CCOCC2)c1 ZINC000023182641 571225592 /nfs/dbraw/zinc/22/55/92/571225592.db2.gz ZGNNSNHCOUGADA-QAPCUYQASA-N 1 2 359.495 3.640 50 0 FHAALO Cn1cc[nH+]c1CC[C@@H]1CCCCN1C(=O)c1ccc2ncsc2c1 ZINC000082133785 571228857 /nfs/dbraw/zinc/22/88/57/571228857.db2.gz BFNCLSAFPCJRGU-HNNXBMFYSA-N 1 2 354.479 3.657 50 0 FHAALO O=C(NCC1CCC(c2[nH]c3ccccc3[nH+]2)CC1)Nc1ccc[nH]c1=O ZINC000426634103 571233994 /nfs/dbraw/zinc/23/39/94/571233994.db2.gz DTMZOFBLTGTHQC-UHFFFAOYSA-N 1 2 365.437 3.759 50 0 FHAALO CCCCn1cc[nH+]c1C1CCN(C(=O)c2c(C)nc3ccccn32)CC1 ZINC000091325908 571239081 /nfs/dbraw/zinc/23/90/81/571239081.db2.gz GSBUKVVAMMGCDU-UHFFFAOYSA-N 1 2 365.481 3.659 50 0 FHAALO Cc1oc2c(c1C(=O)NC1CCCC1)C[N@@H+](Cc1cccc(F)c1)CC2 ZINC000065291999 571260625 /nfs/dbraw/zinc/26/06/25/571260625.db2.gz SOSFWUSYPSVXOS-UHFFFAOYSA-N 1 2 356.441 3.958 50 0 FHAALO Cc1oc2c(c1C(=O)NC1CCCC1)C[N@H+](Cc1cccc(F)c1)CC2 ZINC000065291999 571260628 /nfs/dbraw/zinc/26/06/28/571260628.db2.gz SOSFWUSYPSVXOS-UHFFFAOYSA-N 1 2 356.441 3.958 50 0 FHAALO CCCOc1ccc(C(=O)N2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000013321136 571270691 /nfs/dbraw/zinc/27/06/91/571270691.db2.gz GTUGARHXFZTGGT-UHFFFAOYSA-N 1 2 356.441 3.573 50 0 FHAALO Cc1cccc2nc(C[N@@H+](C)Cc3ccc(Cl)cc3Cl)cc(=O)n12 ZINC000007606077 571283911 /nfs/dbraw/zinc/28/39/11/571283911.db2.gz UIFSVRLHRUDYBT-UHFFFAOYSA-N 1 2 362.260 3.942 50 0 FHAALO Cc1cccc2nc(C[N@H+](C)Cc3ccc(Cl)cc3Cl)cc(=O)n12 ZINC000007606077 571283912 /nfs/dbraw/zinc/28/39/12/571283912.db2.gz UIFSVRLHRUDYBT-UHFFFAOYSA-N 1 2 362.260 3.942 50 0 FHAALO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2noc(-c3ccc(Cl)cc3)n2)[C@@H]1SC ZINC000253428331 571313165 /nfs/dbraw/zinc/31/31/65/571313165.db2.gz CURUZOYOSCXUCH-HPEDKQMDSA-N 1 2 367.902 3.950 50 0 FHAALO Cc1c[nH]c(CN(C)C(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)[nH+]1 ZINC000584893411 571314966 /nfs/dbraw/zinc/31/49/66/571314966.db2.gz SPQZBQXDFHLYNI-MRXNPFEDSA-N 1 2 354.454 3.696 50 0 FHAALO Cn1cc[nH+]c1[C@H](NC(=O)/C=C/c1ccc(F)cc1)c1cccc(F)c1 ZINC000009335943 571321205 /nfs/dbraw/zinc/32/12/05/571321205.db2.gz QFNYEYOYFXXCMQ-QPGLYAHGSA-N 1 2 353.372 3.617 50 0 FHAALO CCn1c(C)c(C2N3CC4(C)C[N@@H+]2CC(CC)(C3)C4=O)c2ccccc21 ZINC000019322817 571324003 /nfs/dbraw/zinc/32/40/03/571324003.db2.gz QWMMTCFIMJBDET-UHFFFAOYSA-N 1 2 351.494 3.585 50 0 FHAALO CCn1c(C)c(C2N3CC4(C)C[N@H+]2CC(CC)(C3)C4=O)c2ccccc21 ZINC000019322817 571324004 /nfs/dbraw/zinc/32/40/04/571324004.db2.gz QWMMTCFIMJBDET-UHFFFAOYSA-N 1 2 351.494 3.585 50 0 FHAALO COc1ccc([C@@H](Nc2c(F)c(F)nc(F)c2F)c2[nH+]ccn2C)cc1 ZINC000079046776 571326637 /nfs/dbraw/zinc/32/66/37/571326637.db2.gz WMTMMPXMGQTMPP-CYBMUJFWSA-N 1 2 366.318 3.582 50 0 FHAALO COc1ccccc1-c1nc(C[N@@H+]2CCc3ccccc3[C@H]2CO)cs1 ZINC000079075050 571326891 /nfs/dbraw/zinc/32/68/91/571326891.db2.gz GXASCMJWOIHTAQ-LJQANCHMSA-N 1 2 366.486 3.910 50 0 FHAALO COc1ccccc1-c1nc(C[N@H+]2CCc3ccccc3[C@H]2CO)cs1 ZINC000079075050 571326892 /nfs/dbraw/zinc/32/68/92/571326892.db2.gz GXASCMJWOIHTAQ-LJQANCHMSA-N 1 2 366.486 3.910 50 0 FHAALO Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)Cc1[nH+]ccn1C ZINC000095469034 571330529 /nfs/dbraw/zinc/33/05/29/571330529.db2.gz BMXBYXQYZUUHLB-UHFFFAOYSA-N 1 2 357.889 3.567 50 0 FHAALO CCn1c(SCCCn2cc[nH+]c2)nc2sc3c(c2c1=O)CCCC3 ZINC000095468093 571330607 /nfs/dbraw/zinc/33/06/07/571330607.db2.gz JWOAONAIHGNCCD-UHFFFAOYSA-N 1 2 374.535 3.736 50 0 FHAALO O=C(CSc1ccc(F)cc1)N(Cc1c[nH+]c2ccccn12)C1CC1 ZINC000096097132 571334305 /nfs/dbraw/zinc/33/43/05/571334305.db2.gz OJCGXTLMUJTKOG-UHFFFAOYSA-N 1 2 355.438 3.757 50 0 FHAALO CC(C)Cc1[nH]c2ccc(NC(=O)c3cc(-c4cccnc4)[nH]n3)cc2[nH+]1 ZINC000096116858 571334475 /nfs/dbraw/zinc/33/44/75/571334475.db2.gz NRNUOWHYLJJIRO-UHFFFAOYSA-N 1 2 360.421 3.799 50 0 FHAALO O=C(N[C@H](c1ccco1)c1ccccc1)C1([NH+]2CCOCC2)CCCCC1 ZINC000670437999 571347540 /nfs/dbraw/zinc/34/75/40/571347540.db2.gz HOIWGLPYYJCCGU-FQEVSTJZSA-N 1 2 368.477 3.520 50 0 FHAALO Fc1ccc(-c2cnc(CNc3ccccc3C[NH+]3CCOCC3)o2)cc1 ZINC000079183369 938641321 /nfs/dbraw/zinc/64/13/21/938641321.db2.gz HSLOLAIAOSNIHQ-UHFFFAOYSA-N 1 2 367.424 3.925 50 0 FHAALO CC(C)(C)c1ccc(-c2n[nH]c(=S)n2CCC[NH+]2CCOCC2)cc1 ZINC000002855565 204063941 /nfs/dbraw/zinc/06/39/41/204063941.db2.gz ABQIAURGKYAINF-UHFFFAOYSA-N 1 2 360.527 3.627 50 0 FHAALO Cc1cc(I)ccc1OCCCCn1cc[nH+]c1 ZINC000004841236 204167948 /nfs/dbraw/zinc/16/79/48/204167948.db2.gz NRHQQNFRUCTSHJ-UHFFFAOYSA-N 1 2 356.207 3.655 50 0 FHAALO O=C(NC1CC[NH+](Cc2c(F)cccc2Cl)CC1)c1cccs1 ZINC000004395050 204138682 /nfs/dbraw/zinc/13/86/82/204138682.db2.gz CJTDYDIYKMNUKI-UHFFFAOYSA-N 1 2 352.862 3.935 50 0 FHAALO Nc1[nH]nc2nc(Nc3ccccc3)c3c(c12)CC[N@@H+](C1CCCCC1)C3 ZINC000005207650 204197760 /nfs/dbraw/zinc/19/77/60/204197760.db2.gz NDHXKRVDYQGKOP-UHFFFAOYSA-N 1 2 362.481 3.975 50 0 FHAALO Nc1[nH]nc2nc(Nc3ccccc3)c3c(c12)CC[N@H+](C1CCCCC1)C3 ZINC000005207650 204197764 /nfs/dbraw/zinc/19/77/64/204197764.db2.gz NDHXKRVDYQGKOP-UHFFFAOYSA-N 1 2 362.481 3.975 50 0 FHAALO C[N@H+](CCOc1ccc(Cl)cc1)CC(=O)Nc1cc(C(C)(C)C)no1 ZINC000006977227 204285078 /nfs/dbraw/zinc/28/50/78/204285078.db2.gz HJJDVEYBGUNODJ-UHFFFAOYSA-N 1 2 365.861 3.575 50 0 FHAALO C[N@@H+](CCOc1ccc(Cl)cc1)CC(=O)Nc1cc(C(C)(C)C)no1 ZINC000006977227 204285083 /nfs/dbraw/zinc/28/50/83/204285083.db2.gz HJJDVEYBGUNODJ-UHFFFAOYSA-N 1 2 365.861 3.575 50 0 FHAALO O=C(Nc1ccccc1C(=O)NCc1cn2ccccc2[nH+]1)c1ccccc1 ZINC000007047595 204287326 /nfs/dbraw/zinc/28/73/26/204287326.db2.gz MOAPFSPATRBGKV-UHFFFAOYSA-N 1 2 370.412 3.517 50 0 FHAALO Cc1cc(C)n(CCc2[nH+]c3cc(NC(=O)c4ccccc4)ccc3n2C)n1 ZINC000006665325 204259593 /nfs/dbraw/zinc/25/95/93/204259593.db2.gz IZNNSZOBFHGVNS-UHFFFAOYSA-N 1 2 373.460 3.882 50 0 FHAALO Clc1ccccc1Cn1ncc2c1nc[nH+]c2NCc1ccccn1 ZINC000006719171 204261601 /nfs/dbraw/zinc/26/16/01/204261601.db2.gz KWAFDIKZAZIMFI-UHFFFAOYSA-N 1 2 350.813 3.535 50 0 FHAALO Cc1ccc(NC(=O)c2sc3nc4c(cc3c2N)C[N@H+](C)CC4)c(F)c1 ZINC000006710409 204262570 /nfs/dbraw/zinc/26/25/70/204262570.db2.gz JNGMXKZQGADNAY-UHFFFAOYSA-N 1 2 370.453 3.566 50 0 FHAALO Cc1ccc(NC(=O)c2sc3nc4c(cc3c2N)C[N@@H+](C)CC4)c(F)c1 ZINC000006710409 204262574 /nfs/dbraw/zinc/26/25/74/204262574.db2.gz JNGMXKZQGADNAY-UHFFFAOYSA-N 1 2 370.453 3.566 50 0 FHAALO CCOC(=O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000007436445 204297815 /nfs/dbraw/zinc/29/78/15/204297815.db2.gz QYNVFLZSLOSVSD-RYUDHWBXSA-N 1 2 373.280 3.596 50 0 FHAALO CCOC(=O)[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000007436445 204297819 /nfs/dbraw/zinc/29/78/19/204297819.db2.gz QYNVFLZSLOSVSD-RYUDHWBXSA-N 1 2 373.280 3.596 50 0 FHAALO Cc1nn(C)c(C)c1NC(=O)C[NH+](Cc1cccs1)Cc1cccs1 ZINC000007688674 204302629 /nfs/dbraw/zinc/30/26/29/204302629.db2.gz ZZOSFOSCJODZEX-UHFFFAOYSA-N 1 2 374.535 3.801 50 0 FHAALO O=C(C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1)NCc1ccccc1 ZINC000007909693 204310025 /nfs/dbraw/zinc/31/00/25/204310025.db2.gz VHSHEJMRTCEXLO-QGZVFWFLSA-N 1 2 351.475 3.750 50 0 FHAALO O=C(C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1)NCc1ccccc1 ZINC000007909693 204310029 /nfs/dbraw/zinc/31/00/29/204310029.db2.gz VHSHEJMRTCEXLO-QGZVFWFLSA-N 1 2 351.475 3.750 50 0 FHAALO Cc1ccc(NC(=O)C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)c(C)c1 ZINC000007927249 204311256 /nfs/dbraw/zinc/31/12/56/204311256.db2.gz SIDSRWKVIKNXIM-KRWDZBQOSA-N 1 2 358.507 3.985 50 0 FHAALO Cc1ccc(NC(=O)C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)c(C)c1 ZINC000007927249 204311261 /nfs/dbraw/zinc/31/12/61/204311261.db2.gz SIDSRWKVIKNXIM-KRWDZBQOSA-N 1 2 358.507 3.985 50 0 FHAALO Cc1[nH+]c2ccccc2n1Cc1ccc(C(=O)NCCc2ccccc2)o1 ZINC000035597047 204323627 /nfs/dbraw/zinc/32/36/27/204323627.db2.gz CDGKHFIVPNLRNQ-UHFFFAOYSA-N 1 2 359.429 3.959 50 0 FHAALO O=C(C[N@@H+]1CCc2sccc2[C@H]1c1ccccc1)NCc1ccco1 ZINC000009316523 204361713 /nfs/dbraw/zinc/36/17/13/204361713.db2.gz QOWFJMWXGIFKNZ-HXUWFJFHSA-N 1 2 352.459 3.605 50 0 FHAALO O=C(C[N@H+]1CCc2sccc2[C@H]1c1ccccc1)NCc1ccco1 ZINC000009316523 204361715 /nfs/dbraw/zinc/36/17/15/204361715.db2.gz QOWFJMWXGIFKNZ-HXUWFJFHSA-N 1 2 352.459 3.605 50 0 FHAALO Cc1ccc(F)cc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000009458883 204368067 /nfs/dbraw/zinc/36/80/67/204368067.db2.gz SFDWBRMRMCCHBO-SFHVURJKSA-N 1 2 370.424 3.681 50 0 FHAALO Cc1ccc(F)cc1NC(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000009458883 204368070 /nfs/dbraw/zinc/36/80/70/204368070.db2.gz SFDWBRMRMCCHBO-SFHVURJKSA-N 1 2 370.424 3.681 50 0 FHAALO Cc1cccc(-n2nnnc2SCc2ccc(-n3cc[nH+]c3)cc2)c1C ZINC000008707816 204340268 /nfs/dbraw/zinc/34/02/68/204340268.db2.gz UZSPRUCCGFTYDB-UHFFFAOYSA-N 1 2 362.462 3.757 50 0 FHAALO C[N@H+](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)Cc1ccccn1 ZINC000008720672 204341372 /nfs/dbraw/zinc/34/13/72/204341372.db2.gz DMKXSHGLDDMWCM-UHFFFAOYSA-N 1 2 357.763 3.824 50 0 FHAALO C[N@@H+](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)Cc1ccccn1 ZINC000008720672 204341376 /nfs/dbraw/zinc/34/13/76/204341376.db2.gz DMKXSHGLDDMWCM-UHFFFAOYSA-N 1 2 357.763 3.824 50 0 FHAALO COc1cc(Cl)c(C)cc1NC(=O)C[N@@H+]1CCC[C@H]1c1cccn1C ZINC000009722086 204380190 /nfs/dbraw/zinc/38/01/90/204380190.db2.gz ZHXBDYJLRCQEIP-KRWDZBQOSA-N 1 2 361.873 3.771 50 0 FHAALO COc1cc(Cl)c(C)cc1NC(=O)C[N@H+]1CCC[C@H]1c1cccn1C ZINC000009722086 204380191 /nfs/dbraw/zinc/38/01/91/204380191.db2.gz ZHXBDYJLRCQEIP-KRWDZBQOSA-N 1 2 361.873 3.771 50 0 FHAALO Cc1cccn2cc(COc3ccc(C(=O)NCc4ccco4)cc3)[nH+]c12 ZINC000010356044 204394351 /nfs/dbraw/zinc/39/43/51/204394351.db2.gz KAIXSLQQCZLZPH-UHFFFAOYSA-N 1 2 361.401 3.745 50 0 FHAALO O=C(NCCCc1ccccc1)[C@@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000021159037 204747912 /nfs/dbraw/zinc/74/79/12/204747912.db2.gz CRNHEDFHYVQWGM-GOSISDBHSA-N 1 2 362.477 3.528 50 0 FHAALO C[C@@H](C(=O)Nc1ccccc1)N1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000022772316 204787061 /nfs/dbraw/zinc/78/70/61/204787061.db2.gz YCOADSIVEZLZPX-AWEZNQCLSA-N 1 2 363.914 3.546 50 0 FHAALO Cc1onc(-c2ccccc2)c1C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000024572951 204820139 /nfs/dbraw/zinc/82/01/39/204820139.db2.gz NIDAJSYTJRXTDA-UHFFFAOYSA-N 1 2 367.474 3.670 50 0 FHAALO CC(C)COC[C@@H](O)C[N@H+](Cc1ccco1)Cc1ccc(F)cc1F ZINC000036104046 205006008 /nfs/dbraw/zinc/00/60/08/205006008.db2.gz JZSPSFIZNUBZRI-KRWDZBQOSA-N 1 2 353.409 3.594 50 0 FHAALO CC(C)COC[C@@H](O)C[N@@H+](Cc1ccco1)Cc1ccc(F)cc1F ZINC000036104046 205006012 /nfs/dbraw/zinc/00/60/12/205006012.db2.gz JZSPSFIZNUBZRI-KRWDZBQOSA-N 1 2 353.409 3.594 50 0 FHAALO CC[N@@H+](Cc1cc(C(C)=O)ccc1OC)C[C@H]1COc2ccccc2O1 ZINC000036726036 205021266 /nfs/dbraw/zinc/02/12/66/205021266.db2.gz AMOYCHIMUKOJLF-SFHVURJKSA-N 1 2 355.434 3.560 50 0 FHAALO CC[N@H+](Cc1cc(C(C)=O)ccc1OC)C[C@H]1COc2ccccc2O1 ZINC000036726036 205021270 /nfs/dbraw/zinc/02/12/70/205021270.db2.gz AMOYCHIMUKOJLF-SFHVURJKSA-N 1 2 355.434 3.560 50 0 FHAALO Cc1ccc(C(=O)CCC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000039984804 205049402 /nfs/dbraw/zinc/04/94/02/205049402.db2.gz IGXFNGPUIHVBRY-UHFFFAOYSA-N 1 2 364.489 3.611 50 0 FHAALO Cc1ccc(C(=O)NC[C@H](c2ccc(C(C)C)cc2)[NH+]2CCOCC2)cc1 ZINC000041156435 205089905 /nfs/dbraw/zinc/08/99/05/205089905.db2.gz NMMLWBNNBRHNOM-JOCHJYFZSA-N 1 2 366.505 3.922 50 0 FHAALO CC(=O)c1c(F)cccc1NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000042848492 205098352 /nfs/dbraw/zinc/09/83/52/205098352.db2.gz HCOMTVQACCDNKE-UHFFFAOYSA-N 1 2 369.440 3.543 50 0 FHAALO COc1ccc2c(c1)CCC[C@@H]2NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000044856263 205112764 /nfs/dbraw/zinc/11/27/64/205112764.db2.gz NOHVWDXPFFIPQZ-NRFANRHFSA-N 1 2 361.445 3.747 50 0 FHAALO Cc1ccc([C@H](C)NC(=O)c2ccc(C[NH+]3CCOCC3)cc2)cc1C ZINC000044856402 205112823 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ZINC000004341770 206176249 /nfs/dbraw/zinc/17/62/49/206176249.db2.gz YDZWRHKXJGVZSK-INIZCTEOSA-N 1 2 370.478 3.866 50 0 FHAALO O=C(Cn1cc[nH+]c1)Nc1sc2c(c1C(=O)c1ccccc1)CCCC2 ZINC000010809524 206280686 /nfs/dbraw/zinc/28/06/86/206280686.db2.gz DAWFROJNYLUPHX-UHFFFAOYSA-N 1 2 365.458 3.693 50 0 FHAALO O=C(Cc1ccc(Cl)cc1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000013040778 206299727 /nfs/dbraw/zinc/29/97/27/206299727.db2.gz IIUHVTWCQLSUNP-UHFFFAOYSA-N 1 2 363.288 3.880 50 0 FHAALO CCOc1ccc(C[N@H+](C)CC(=O)Nc2cccc(Cl)c2)cc1OC ZINC000013068827 206300402 /nfs/dbraw/zinc/30/04/02/206300402.db2.gz SDDULVWMFFTUBW-UHFFFAOYSA-N 1 2 362.857 3.818 50 0 FHAALO CCOc1ccc(C[N@@H+](C)CC(=O)Nc2cccc(Cl)c2)cc1OC ZINC000013068827 206300407 /nfs/dbraw/zinc/30/04/07/206300407.db2.gz SDDULVWMFFTUBW-UHFFFAOYSA-N 1 2 362.857 3.818 50 0 FHAALO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccc3c(c2)N(C)CC3)CC1 ZINC000184113342 206317592 /nfs/dbraw/zinc/31/75/92/206317592.db2.gz OZSWHJDEHZIDBB-HNNXBMFYSA-N 1 2 370.522 3.651 50 0 FHAALO Fc1cccc(Cl)c1CN1CC[NH+](Cc2nc3ccccc3o2)CC1 ZINC000020815018 206346615 /nfs/dbraw/zinc/34/66/15/206346615.db2.gz CCFOZBOKOZPLTN-UHFFFAOYSA-N 1 2 359.832 3.938 50 0 FHAALO Fc1cccc(-n2cc(C[N@@H+](Cc3ccncc3)C[C@@H]3CCCO3)cn2)c1 ZINC000215444421 206347077 /nfs/dbraw/zinc/34/70/77/206347077.db2.gz MPKBFTAOAQGRPW-NRFANRHFSA-N 1 2 366.440 3.588 50 0 FHAALO Fc1cccc(-n2cc(C[N@H+](Cc3ccncc3)C[C@@H]3CCCO3)cn2)c1 ZINC000215444421 206347081 /nfs/dbraw/zinc/34/70/81/206347081.db2.gz MPKBFTAOAQGRPW-NRFANRHFSA-N 1 2 366.440 3.588 50 0 FHAALO Cc1nc(CN2CC[NH+](Cc3cnc(C4CCCCC4)nc3)CC2)cs1 ZINC000216015835 206354577 /nfs/dbraw/zinc/35/45/77/206354577.db2.gz NUHQXEIPMZMOKB-UHFFFAOYSA-N 1 2 371.554 3.607 50 0 FHAALO O=C(N[C@@H](C[NH+]1CCOCC1)c1ccccc1)c1ccc2ccccc2c1 ZINC000024114566 206409310 /nfs/dbraw/zinc/40/93/10/206409310.db2.gz FTENFNUJOSINGL-QFIPXVFZSA-N 1 2 360.457 3.643 50 0 FHAALO Cc1ccccc1N1CCN(C(=O)c2cccc(-c3[nH]cc[nH+]3)c2)[C@H](C)C1 ZINC000077354687 132182223 /nfs/dbraw/zinc/18/22/23/132182223.db2.gz NCGCPQPABPVJMM-QGZVFWFLSA-N 1 2 360.461 3.736 50 0 FHAALO Cc1noc2nc(C)nc(N3CCC(c4[nH]c5c(cccc5C)[nH+]4)CC3)c12 ZINC000077378096 132182788 /nfs/dbraw/zinc/18/27/88/132182788.db2.gz LXIGNKMHMHSGAI-UHFFFAOYSA-N 1 2 362.437 3.803 50 0 FHAALO Cc1noc2nc(C)nc(N3CCC(c4[nH]c5cccc(C)c5[nH+]4)CC3)c12 ZINC000077378096 132182790 /nfs/dbraw/zinc/18/27/90/132182790.db2.gz LXIGNKMHMHSGAI-UHFFFAOYSA-N 1 2 362.437 3.803 50 0 FHAALO Cc1cc(C)n(-c2cccc(C[N@H+]3CC(=O)N(c4ccccc4)C[C@@H]3C)c2)n1 ZINC000082156636 132197370 /nfs/dbraw/zinc/19/73/70/132197370.db2.gz MWEVOODTZAHIKT-IBGZPJMESA-N 1 2 374.488 3.726 50 0 FHAALO Cc1cc(C)n(-c2cccc(C[N@@H+]3CC(=O)N(c4ccccc4)C[C@@H]3C)c2)n1 ZINC000082156636 132197371 /nfs/dbraw/zinc/19/73/71/132197371.db2.gz MWEVOODTZAHIKT-IBGZPJMESA-N 1 2 374.488 3.726 50 0 FHAALO Cc1c2cc(C)ccc2[nH]c1C(=O)NC[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000092099913 132206051 /nfs/dbraw/zinc/20/60/51/132206051.db2.gz DBZYNDPIZLCPGB-QGZVFWFLSA-N 1 2 362.477 3.826 50 0 FHAALO Cc1ccc(-c2nc(C[NH+]3CCN(c4ccc(O)cc4)CC3)cs2)o1 ZINC000096524739 132225676 /nfs/dbraw/zinc/22/56/76/132225676.db2.gz CUNMTRPJXBCXFS-UHFFFAOYSA-N 1 2 355.463 3.739 50 0 FHAALO CCc1cc(C)c(C(=O)N2CCN(c3cc(C(F)(F)F)cc[nH+]3)CC2)o1 ZINC000170600520 132264395 /nfs/dbraw/zinc/26/43/95/132264395.db2.gz SJMXZJWAQDRFPJ-UHFFFAOYSA-N 1 2 367.371 3.527 50 0 FHAALO CCCC(=O)NC[C@H]1CCCN(c2c(C)c[nH+]c3c(OC)cccc32)C1 ZINC000239667821 132289272 /nfs/dbraw/zinc/28/92/72/132289272.db2.gz BRNLUERZKNUHOS-MRXNPFEDSA-N 1 2 355.482 3.685 50 0 FHAALO O=c1cc(C[NH+]2CCN(c3ccc(F)cc3)CC2)c2cc(Cl)ccc2o1 ZINC000054147549 132376237 /nfs/dbraw/zinc/37/62/37/132376237.db2.gz MYDBLFGUCKIUKF-UHFFFAOYSA-N 1 2 372.827 3.908 50 0 FHAALO COc1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1Br ZINC000000752248 132378288 /nfs/dbraw/zinc/37/82/88/132378288.db2.gz RIYNRRQSBJGAMC-UHFFFAOYSA-N 1 2 361.283 3.780 50 0 FHAALO CC[C@@H](C)c1ccc(NC(=O)C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000052537752 136124358 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HEHVLQQJMGNPAI-GOSISDBHSA-N 1 2 367.415 3.674 50 0 FHAALO COc1ccccc1NC(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000020661388 524610379 /nfs/dbraw/zinc/61/03/79/524610379.db2.gz AILWFUHFSIRDHE-UHFFFAOYSA-N 1 2 359.857 3.698 50 0 FHAALO Cc1c2cc(C)ccc2oc1CN1CC[NH+](Cc2ccccc2CO)CC1 ZINC000216486210 525951060 /nfs/dbraw/zinc/95/10/60/525951060.db2.gz ZKDRMDOUKOWSHN-UHFFFAOYSA-N 1 2 364.489 3.860 50 0 FHAALO CSc1ccc(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2cccnc2)C3)cc1 ZINC000091645003 525993527 /nfs/dbraw/zinc/99/35/27/525993527.db2.gz PDNGOECBGGBJCS-VQTJNVASSA-N 1 2 353.535 3.900 50 0 FHAALO CSc1ccc(CN2C[C@H]3CC[C@@H]2C[N@@H+](Cc2cccnc2)C3)cc1 ZINC000091645003 525993534 /nfs/dbraw/zinc/99/35/34/525993534.db2.gz PDNGOECBGGBJCS-VQTJNVASSA-N 1 2 353.535 3.900 50 0 FHAALO O[C@H](c1nc(CCCn2cc[nH+]c2)n(C2CCCCC2)n1)c1ccccc1 ZINC000091656921 526302265 /nfs/dbraw/zinc/30/22/65/526302265.db2.gz XLSILOHNZCUNAE-FQEVSTJZSA-N 1 2 365.481 3.694 50 0 FHAALO O=C(c1cccc(O)c1)N1CCC[C@H](c2[nH+]ccn2Cc2ccccc2)C1 ZINC000082108170 526769342 /nfs/dbraw/zinc/76/93/42/526769342.db2.gz BXRMJQOICGOSOG-IBGZPJMESA-N 1 2 361.445 3.657 50 0 FHAALO [NH2+]=c1n(Cc2ccccc2Cl)c2ccccc2n1C[C@@H](O)c1ccco1 ZINC000019790096 526843900 /nfs/dbraw/zinc/84/39/00/526843900.db2.gz UMRCSKGRDZLJHX-GOSISDBHSA-N 1 2 367.836 3.951 50 0 FHAALO Cn1c(=[NH2+])n(CC(=O)c2ccc(Br)cc2)cc1-c1ccccc1 ZINC000334157562 527020022 /nfs/dbraw/zinc/02/00/22/527020022.db2.gz LUMIKWQABDDFLV-UHFFFAOYSA-N 1 2 370.250 3.618 50 0 FHAALO O=S(=O)(/C=C/c1ccccc1)Nc1cccc(-c2c[nH+]c3n2CCC3)c1 ZINC000086071851 527157530 /nfs/dbraw/zinc/15/75/30/527157530.db2.gz KKEAZIAAJORMHR-ACCUITESSA-N 1 2 365.458 3.909 50 0 FHAALO Cc1[nH+]c[nH]c1CSCCNC(=O)c1csc(-c2cccs2)n1 ZINC000082137000 527215780 /nfs/dbraw/zinc/21/57/80/527215780.db2.gz CXGJNKZEOHWIRB-UHFFFAOYSA-N 1 2 364.521 3.566 50 0 FHAALO O=C(Cc1ccccc1)N1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000019831798 527279557 /nfs/dbraw/zinc/27/95/57/527279557.db2.gz CIRDNPXRJOOTJH-UHFFFAOYSA-N 1 2 362.395 3.592 50 0 FHAALO O=C(Cc1ccccc1Cl)N1CCC[C@H](c2[nH+]ccn2CC2CC2)C1 ZINC000082107310 527286108 /nfs/dbraw/zinc/28/61/08/527286108.db2.gz VYJMECJAJBXDTR-KRWDZBQOSA-N 1 2 357.885 3.895 50 0 FHAALO O=C(NC1CCCCC1)N1CCC[C@H](c2[nH+]ccn2Cc2cccnc2)C1 ZINC000091574103 527512440 /nfs/dbraw/zinc/51/24/40/527512440.db2.gz JUINVIHIDPUVEK-SFHVURJKSA-N 1 2 367.497 3.548 50 0 FHAALO COc1cccc(N2CC[NH+](CC(=O)c3cc(C)c(C)cc3C)CC2)c1 ZINC000067206356 537123383 /nfs/dbraw/zinc/12/33/83/537123383.db2.gz OAGMHMMNOYWTQN-UHFFFAOYSA-N 1 2 352.478 3.625 50 0 FHAALO C[NH+]1CCN(C(=O)c2ccc(COc3cc(Cl)ccc3Cl)o2)CC1 ZINC000000800745 568252732 /nfs/dbraw/zinc/25/27/32/568252732.db2.gz RMZVLXQPQCGFDK-UHFFFAOYSA-N 1 2 369.248 3.553 50 0 FHAALO CC(=O)c1ccccc1OC[C@H](O)Cn1c2ccccc2[nH+]c1C(C)C ZINC000000810218 568270428 /nfs/dbraw/zinc/27/04/28/568270428.db2.gz AKRJSLBYMTUSRP-MRXNPFEDSA-N 1 2 352.434 3.802 50 0 FHAALO Cc1[nH]nc(C2CC2)c1C(=O)N1CCC(c2[nH+]ccn2CC2CCC2)CC1 ZINC000091757137 570438077 /nfs/dbraw/zinc/43/80/77/570438077.db2.gz 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ZINC000095376317 570457836 /nfs/dbraw/zinc/45/78/36/570457836.db2.gz OQEHZNAMVSMHNA-INIZCTEOSA-N 1 2 371.456 3.851 50 0 FHAALO CN(C)c1ccc(C(=O)N2CCC[C@@H](c3[nH+]ccn3CC3CCC3)C2)cc1 ZINC000095392838 570461242 /nfs/dbraw/zinc/46/12/42/570461242.db2.gz XNJGZJDCBPCUFV-LJQANCHMSA-N 1 2 366.509 3.769 50 0 FHAALO COc1ccccc1CC(=O)N1CCC(c2[nH+]ccn2CC2CCC2)CC1 ZINC000095504919 570463787 /nfs/dbraw/zinc/46/37/87/570463787.db2.gz DMNVQGSVSGLSHG-UHFFFAOYSA-N 1 2 367.493 3.641 50 0 FHAALO CCCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000095515373 570466402 /nfs/dbraw/zinc/46/64/02/570466402.db2.gz PHZPMJDKNCNJTH-OAHLLOKOSA-N 1 2 370.453 3.823 50 0 FHAALO CCn1cc[nH+]c1[C@@H]1CCCN(C(=O)CCc2nc3ccccc3s2)C1 ZINC000095519210 570466882 /nfs/dbraw/zinc/46/68/82/570466882.db2.gz AKESUEYCSCQLRL-OAHLLOKOSA-N 1 2 368.506 3.852 50 0 FHAALO Cc1cc(NC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c(Cl)cc1F ZINC000095523006 570467986 /nfs/dbraw/zinc/46/79/86/570467986.db2.gz QRHYJBDDMNZZRM-AWEZNQCLSA-N 1 2 369.868 3.506 50 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/nfs/dbraw/zinc/47/92/04/570479204.db2.gz LBJXPEVQYGXJIR-UHFFFAOYSA-N 1 2 355.482 3.725 50 0 FHAALO O=C(c1cnc(C[NH+]2CCCC2)s1)N1CCCC[C@@H]1c1cccnc1 ZINC000097295070 570485938 /nfs/dbraw/zinc/48/59/38/570485938.db2.gz GLEJIBBFIBIUIQ-MRXNPFEDSA-N 1 2 356.495 3.501 50 0 FHAALO Cn1cc[nH+]c1CN(Cc1cnc(SCc2ccccc2)nc1)C1CC1 ZINC000097521927 570489655 /nfs/dbraw/zinc/48/96/55/570489655.db2.gz NBMBJCZIPBQQTP-UHFFFAOYSA-N 1 2 365.506 3.667 50 0 FHAALO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1cc(Cl)cc2c1OCOC2 ZINC000247807577 570492180 /nfs/dbraw/zinc/49/21/80/570492180.db2.gz APWWJBQESGQYHV-VUCTXSBTSA-N 1 2 365.857 3.513 50 0 FHAALO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1cc(Cl)cc2c1OCOC2 ZINC000247807577 570492181 /nfs/dbraw/zinc/49/21/81/570492181.db2.gz APWWJBQESGQYHV-VUCTXSBTSA-N 1 2 365.857 3.513 50 0 FHAALO Cc1c2[nH+]c[nH]c2cc(NC(=O)N[C@@H](C)c2nc(CC(C)C)no2)c1C ZINC000097696345 570492472 /nfs/dbraw/zinc/49/24/72/570492472.db2.gz IKMWYCOFFHKWKA-LBPRGKRZSA-N 1 2 356.430 3.644 50 0 FHAALO Cc1c2[nH]c[nH+]c2cc(NC(=O)N[C@@H](C)c2nc(CC(C)C)no2)c1C ZINC000097696345 570492477 /nfs/dbraw/zinc/49/24/77/570492477.db2.gz IKMWYCOFFHKWKA-LBPRGKRZSA-N 1 2 356.430 3.644 50 0 FHAALO Cc1ccc(C[C@H]2CC(=O)N([C@@H](C)c3ccc(-n4cc[nH+]c4)cc3)C2=O)cc1 ZINC000100188271 570539791 /nfs/dbraw/zinc/53/97/91/570539791.db2.gz XBSWHCIBLCFYRB-PXNSSMCTSA-N 1 2 373.456 3.860 50 0 FHAALO CC(C)Sc1ccc(CC(=O)N2CCC(Cn3cc[nH+]c3)CC2)cc1 ZINC000062128698 570651356 /nfs/dbraw/zinc/65/13/56/570651356.db2.gz HQKQSGCLDOHECE-UHFFFAOYSA-N 1 2 357.523 3.865 50 0 FHAALO Cc1ccc(OCC[N@@H+](C)Cc2nc(Cc3cccc(F)c3)no2)cc1 ZINC000011759300 570706274 /nfs/dbraw/zinc/70/62/74/570706274.db2.gz NPDLIVGBFKJBSZ-UHFFFAOYSA-N 1 2 355.413 3.619 50 0 FHAALO Cc1ccc(OCC[N@H+](C)Cc2nc(Cc3cccc(F)c3)no2)cc1 ZINC000011759300 570706276 /nfs/dbraw/zinc/70/62/76/570706276.db2.gz NPDLIVGBFKJBSZ-UHFFFAOYSA-N 1 2 355.413 3.619 50 0 FHAALO CCOC(=O)C1(CCCc2ccccc2)CC[NH+](Cc2cc[nH]n2)CC1 ZINC000011819081 570708426 /nfs/dbraw/zinc/70/84/26/570708426.db2.gz MBCHCYPZHRIWKS-UHFFFAOYSA-N 1 2 355.482 3.578 50 0 FHAALO CCn1cc[nH+]c1CNC(=O)C[C@H](c1ccccc1)c1ccccc1F ZINC000012433346 570744861 /nfs/dbraw/zinc/74/48/61/570744861.db2.gz VEDMMHGTHIUOII-GOSISDBHSA-N 1 2 351.425 3.881 50 0 FHAALO C[N@H+](Cc1nc(-c2cnccn2)no1)Cc1ccc(Oc2ccccc2)cc1 ZINC000012587978 570751846 /nfs/dbraw/zinc/75/18/46/570751846.db2.gz PEZHYXQRNMWYQJ-UHFFFAOYSA-N 1 2 373.416 3.951 50 0 FHAALO C[N@@H+](Cc1nc(-c2cnccn2)no1)Cc1ccc(Oc2ccccc2)cc1 ZINC000012587978 570751848 /nfs/dbraw/zinc/75/18/48/570751848.db2.gz PEZHYXQRNMWYQJ-UHFFFAOYSA-N 1 2 373.416 3.951 50 0 FHAALO O=C(Cc1ccccc1)N[C@H]([NH2+]C1CCCCC1)C(Cl)(Cl)Cl ZINC000013476760 570777982 /nfs/dbraw/zinc/77/79/82/570777982.db2.gz GVMXVRRNOOLCDW-HNNXBMFYSA-N 1 2 363.716 3.964 50 0 FHAALO CC(C)[C@H](NC(=O)c1ccc(C[NH+]2CCOCC2)cc1)c1ccc(F)cc1 ZINC000032744980 570792030 /nfs/dbraw/zinc/79/20/30/570792030.db2.gz BBJPVHAQSNJGDO-NRFANRHFSA-N 1 2 370.468 3.785 50 0 FHAALO O=C1C[C@@H]([N@H+](Cc2ccco2)Cc2ccccc2)C(=O)N1c1ccccc1 ZINC000100841714 570799299 /nfs/dbraw/zinc/79/92/99/570799299.db2.gz MWQVSUYPUGSZPL-HXUWFJFHSA-N 1 2 360.413 3.614 50 0 FHAALO O=C1C[C@@H]([N@@H+](Cc2ccco2)Cc2ccccc2)C(=O)N1c1ccccc1 ZINC000100841714 570799304 /nfs/dbraw/zinc/79/93/04/570799304.db2.gz MWQVSUYPUGSZPL-HXUWFJFHSA-N 1 2 360.413 3.614 50 0 FHAALO CCN1C[C@@H](C[N@H+](C)Cc2nc(-c3cccs3)no2)Oc2ccccc21 ZINC000032797330 570804213 /nfs/dbraw/zinc/80/42/13/570804213.db2.gz CAVOWADEKOAKRX-CQSZACIVSA-N 1 2 370.478 3.517 50 0 FHAALO CCN1C[C@@H](C[N@@H+](C)Cc2nc(-c3cccs3)no2)Oc2ccccc21 ZINC000032797330 570804215 /nfs/dbraw/zinc/80/42/15/570804215.db2.gz CAVOWADEKOAKRX-CQSZACIVSA-N 1 2 370.478 3.517 50 0 FHAALO Cc1ccc(C[N@@H+](C)Cn2nc(-c3cccnc3)n(C)c2=S)c(C)c1 ZINC000014135027 570807617 /nfs/dbraw/zinc/80/76/17/570807617.db2.gz JDGZRFFPKRNPJH-UHFFFAOYSA-N 1 2 353.495 3.719 50 0 FHAALO Cc1ccc(C[N@H+](C)Cn2nc(-c3cccnc3)n(C)c2=S)c(C)c1 ZINC000014135027 570807620 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571187659 /nfs/dbraw/zinc/18/76/59/571187659.db2.gz QQEKFDOVDYIWGY-UHFFFAOYSA-N 1 2 367.474 3.733 50 0 FHAALO Cc1nc(-c2ccc3c(c2)CCN3C(=O)C[N@H+](C)Cc2ccco2)cs1 ZINC000013003718 571187660 /nfs/dbraw/zinc/18/76/60/571187660.db2.gz QQEKFDOVDYIWGY-UHFFFAOYSA-N 1 2 367.474 3.733 50 0 FHAALO CC(C)Cc1noc([C@@H](C)n2ccnc2-c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000072419467 571192863 /nfs/dbraw/zinc/19/28/63/571192863.db2.gz UNUWNIJFNDDEFH-OAHLLOKOSA-N 1 2 362.437 3.927 50 0 FHAALO O=C(c1ccccc1-c1[nH]cc[nH+]1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000072436355 571196603 /nfs/dbraw/zinc/19/66/03/571196603.db2.gz ZGWKGJFYFZAQQI-HNNXBMFYSA-N 1 2 371.444 3.973 50 0 FHAALO Cc1cccc2cc(C[N@@H+]3CCN(C)C(=O)[C@H]3C)c(-c3cccs3)nc12 ZINC000072447831 571196967 /nfs/dbraw/zinc/19/69/67/571196967.db2.gz XMXSXLIILLCPQF-OAHLLOKOSA-N 1 2 365.502 3.934 50 0 FHAALO Cc1cccc2cc(C[N@H+]3CCN(C)C(=O)[C@H]3C)c(-c3cccs3)nc12 ZINC000072447831 571196969 /nfs/dbraw/zinc/19/69/69/571196969.db2.gz XMXSXLIILLCPQF-OAHLLOKOSA-N 1 2 365.502 3.934 50 0 FHAALO CCc1ccc([C@H](C)NC(=O)c2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000072446879 571197031 /nfs/dbraw/zinc/19/70/31/571197031.db2.gz FTBFQXALALEPDU-KRWDZBQOSA-N 1 2 352.478 3.572 50 0 FHAALO Cc1cc(C)c(NC(=O)N2CCN(Cc3cc(F)cc(F)c3)CC2)c(C)[nH+]1 ZINC000299781429 571198312 /nfs/dbraw/zinc/19/83/12/571198312.db2.gz DMMRIIUWFVXYPJ-UHFFFAOYSA-N 1 2 374.435 3.635 50 0 FHAALO CCOCCCNC(=O)c1ccc(CCc2[nH]c3ccccc3[nH+]2)cc1 ZINC000033264736 571200336 /nfs/dbraw/zinc/20/03/36/571200336.db2.gz PQHWHVJPJMKKGI-UHFFFAOYSA-N 1 2 351.450 3.505 50 0 FHAALO Cn1cc(C[NH2+]C2(c3noc(CC4CCCC4)n3)CCCCCC2)cn1 ZINC000097101246 571204176 /nfs/dbraw/zinc/20/41/76/571204176.db2.gz WDRMRPSHEULXCC-UHFFFAOYSA-N 1 2 357.502 3.875 50 0 FHAALO CC(C)c1noc([C@@H]2CCC[N@@H+]2Cc2cnn(-c3cccc(F)c3)c2)n1 ZINC000077354897 571208773 /nfs/dbraw/zinc/20/87/73/571208773.db2.gz KXPWYOYAHSGJJV-KRWDZBQOSA-N 1 2 355.417 3.855 50 0 FHAALO CC(C)c1noc([C@@H]2CCC[N@H+]2Cc2cnn(-c3cccc(F)c3)c2)n1 ZINC000077354897 571208776 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FHAALO C[C@@H](NC(=O)c1ccc(Cl)cc1)[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000023181011 571226581 /nfs/dbraw/zinc/22/65/81/571226581.db2.gz GSNHPMOHBGCPTK-DYVFJYSZSA-N 1 2 364.898 3.593 50 0 FHAALO CC(C)c1cc(CN(C)C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)on1 ZINC000426485499 571227730 /nfs/dbraw/zinc/22/77/30/571227730.db2.gz AMKBNHMAHMHTIA-IBGZPJMESA-N 1 2 367.453 3.577 50 0 FHAALO Cc1nc([C@H](C)NC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cs1 ZINC000426493094 571228246 /nfs/dbraw/zinc/22/82/46/571228246.db2.gz WJWTVDGCVOFJHD-FSNWXROXSA-N 1 2 370.522 3.553 50 0 FHAALO Cc1cc(C(=O)N2CCCC[C@@H]2CCn2cc[nH+]c2)c2ccc(F)cc2n1 ZINC000082120521 571228839 /nfs/dbraw/zinc/22/88/39/571228839.db2.gz PYONTFIANAVLBL-QGZVFWFLSA-N 1 2 366.440 3.964 50 0 FHAALO Cc1ncsc1CCCNC(=O)c1ccc(-c2c[nH+]c(N)c(C)c2)cc1 ZINC000426535023 571230825 /nfs/dbraw/zinc/23/08/25/571230825.db2.gz BXRNJNWHKZVJAL-UHFFFAOYSA-N 1 2 366.490 3.597 50 0 FHAALO CC1(C)C[C@@]1(C(=O)N1CCC(Nc2cccc[nH+]2)CC1)c1ccc(F)cc1 ZINC000091650697 571241782 /nfs/dbraw/zinc/24/17/82/571241782.db2.gz SVSIVAGKFMIILZ-QFIPXVFZSA-N 1 2 367.468 3.992 50 0 FHAALO O=C(Cn1cc[nH+]c1-c1ccccc1)N1CCCC[C@H]1c1nccs1 ZINC000091714013 571242696 /nfs/dbraw/zinc/24/26/96/571242696.db2.gz HFIVRWPKFRKTBV-INIZCTEOSA-N 1 2 352.463 3.760 50 0 FHAALO O=C(Cn1cc[nH+]c1-c1ccccc1)N1CCCC[C@@H]1c1nccs1 ZINC000091714012 571242706 /nfs/dbraw/zinc/24/27/06/571242706.db2.gz HFIVRWPKFRKTBV-MRXNPFEDSA-N 1 2 352.463 3.760 50 0 FHAALO CC(C)Cn1c[nH+]cc1CNC(=O)COc1ccc(Cl)cc1Cl ZINC000091713322 571242819 /nfs/dbraw/zinc/24/28/19/571242819.db2.gz ITBCGZKFGZYECS-UHFFFAOYSA-N 1 2 356.253 3.541 50 0 FHAALO COc1cccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2[nH]nc3c2cccc3Cl)c1 ZINC000170593840 571266263 /nfs/dbraw/zinc/26/62/63/571266263.db2.gz QJSAGYPHURWALV-NEPJUHHUSA-N 1 2 372.856 3.903 50 0 FHAALO CO[C@@H](C(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1)c1ccc(O)cc1 ZINC000170596521 571266655 /nfs/dbraw/zinc/26/66/55/571266655.db2.gz TYZUADVHSGRTQP-GOSISDBHSA-N 1 2 351.406 3.862 50 0 FHAALO O=C(NC[C@H](c1ccoc1)[NH+]1CCSCC1)c1ccc(F)cc1Cl ZINC000253408965 571291687 /nfs/dbraw/zinc/29/16/87/571291687.db2.gz ZDLBKUHXPGBTKR-MRXNPFEDSA-N 1 2 368.861 3.592 50 0 FHAALO Cc1cccc(SC2CCN(C(=O)NCc3c[nH+]cn3C3CC3)CC2)c1 ZINC000584897675 571315595 /nfs/dbraw/zinc/31/55/95/571315595.db2.gz OZKAJQNZCMTNCJ-UHFFFAOYSA-N 1 2 370.522 3.993 50 0 FHAALO O=C(Cc1c[nH+]cn1Cc1ccccc1)N(Cc1cccs1)C1CC1 ZINC000253433457 571316764 /nfs/dbraw/zinc/31/67/64/571316764.db2.gz XDIGHXZHRXCCPL-UHFFFAOYSA-N 1 2 351.475 3.727 50 0 FHAALO O=C(Nc1ccc(-n2cccn2)c(Cl)c1)N[C@H]1CCC[C@H]1n1cc[nH+]c1 ZINC000079019660 571326579 /nfs/dbraw/zinc/32/65/79/571326579.db2.gz CUIOBYDOEYRVNI-DOTOQJQBSA-N 1 2 370.844 3.638 50 0 FHAALO C[N@@H+]1CCc2nc3sc(C(=O)Nc4ccc(Cl)cc4)c(N)c3cc2C1 ZINC000019852678 571327461 /nfs/dbraw/zinc/32/74/61/571327461.db2.gz YCIKPGUSEZZDGL-UHFFFAOYSA-N 1 2 372.881 3.772 50 0 FHAALO C[N@H+]1CCc2nc3sc(C(=O)Nc4ccc(Cl)cc4)c(N)c3cc2C1 ZINC000019852678 571327462 /nfs/dbraw/zinc/32/74/62/571327462.db2.gz YCIKPGUSEZZDGL-UHFFFAOYSA-N 1 2 372.881 3.772 50 0 FHAALO Cc1[nH]c2ccccc2c1C1N2CC3(C)C[N@@H+]1CC(c1ccccc1)(C2)C3=O ZINC000020444165 571329517 /nfs/dbraw/zinc/32/95/17/571329517.db2.gz BSQLACWCYYXVEF-UHFFFAOYSA-N 1 2 371.484 3.633 50 0 FHAALO Cc1[nH]c2ccccc2c1C1N2CC3(C)C[N@H+]1CC(c1ccccc1)(C2)C3=O ZINC000020444165 571329518 /nfs/dbraw/zinc/32/95/18/571329518.db2.gz BSQLACWCYYXVEF-UHFFFAOYSA-N 1 2 371.484 3.633 50 0 FHAALO C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@H+]1CC=C(c2cccnc2)CC1 ZINC000095454758 571330081 /nfs/dbraw/zinc/33/00/81/571330081.db2.gz AVRJXPSWBLNBKT-CQSZACIVSA-N 1 2 373.403 3.799 50 0 FHAALO C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@@H+]1CC=C(c2cccnc2)CC1 ZINC000095454758 571330082 /nfs/dbraw/zinc/33/00/82/571330082.db2.gz AVRJXPSWBLNBKT-CQSZACIVSA-N 1 2 373.403 3.799 50 0 FHAALO Cc1ccccc1C[NH+]1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 ZINC000020767407 571331693 /nfs/dbraw/zinc/33/16/93/571331693.db2.gz MLWXQDGEFVWYFB-UHFFFAOYSA-N 1 2 372.534 3.625 50 0 FHAALO C[C@H](Cc1ccccc1Cl)C(=O)N1CC[NH+]([C@@H](C)c2ccccn2)CC1 ZINC000095943193 571332443 /nfs/dbraw/zinc/33/24/43/571332443.db2.gz RDEZBZSFHJSBHJ-SJORKVTESA-N 1 2 371.912 3.819 50 0 FHAALO Cc1cc(Nc2ccc([NH+](C)C)cc2)n2nc(Cc3ccccc3)nc2n1 ZINC000021173849 571333461 /nfs/dbraw/zinc/33/34/61/571333461.db2.gz HFIFUNKOKXRYKJ-UHFFFAOYSA-N 1 2 358.449 3.833 50 0 FHAALO COc1ccccc1NC(=S)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000096472085 571336052 /nfs/dbraw/zinc/33/60/52/571336052.db2.gz PWXLUYKVAVBBHX-YFHOEESVSA-N 1 2 367.518 3.723 50 0 FHAALO Cc1cccc(C)c1N1C(=O)C[C@@H]([N@H+](C)Cc2cccc(Cl)c2)C1=O ZINC000097011560 571336541 /nfs/dbraw/zinc/33/65/41/571336541.db2.gz JIIZRJHZCRWDNF-QGZVFWFLSA-N 1 2 356.853 3.721 50 0 FHAALO Cc1cccc(C)c1N1C(=O)C[C@@H]([N@@H+](C)Cc2cccc(Cl)c2)C1=O ZINC000097011560 571336542 /nfs/dbraw/zinc/33/65/42/571336542.db2.gz JIIZRJHZCRWDNF-QGZVFWFLSA-N 1 2 356.853 3.721 50 0 FHAALO FC(F)(F)c1cccc(-c2noc(C[N@@H+]3CCO[C@H]4CCCC[C@H]43)n2)c1 ZINC000230136032 571344276 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Cc1cccc(NC(=S)N(CCC[NH+]2CCOCC2)Cc2ccco2)c1 ZINC000020107814 524665545 /nfs/dbraw/zinc/66/55/45/524665545.db2.gz MGFGYHQTZJPNPP-UHFFFAOYSA-N 1 2 373.522 3.509 50 0 FHAALO Cc1cccc(OCC(=O)N2CCC[C@H](c3[nH+]ccn3CC3CC3)C2)c1C ZINC000082147549 524712631 /nfs/dbraw/zinc/71/26/31/524712631.db2.gz FRCGLYSPSKXNOK-IBGZPJMESA-N 1 2 367.493 3.695 50 0 FHAALO C[C@H](c1nc(C(C)(C)C)no1)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000089905217 526171720 /nfs/dbraw/zinc/17/17/20/526171720.db2.gz ALLZXAGNALPOLH-LSDHHAIUSA-N 1 2 360.477 3.946 50 0 FHAALO Cn1cc(C(=O)N2CCC[C@H](c3[nH+]ccn3CC3CC3)C2)c2ccccc21 ZINC000082133857 527159968 /nfs/dbraw/zinc/15/99/68/527159968.db2.gz OCLILUFCWJFDPN-KRWDZBQOSA-N 1 2 362.477 3.805 50 0 FHAALO O=C(Nc1ccc(Cl)c(Cl)c1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000020467238 527173463 /nfs/dbraw/zinc/17/34/63/527173463.db2.gz AWVQWJVEJKHYRZ-UHFFFAOYSA-N 1 2 365.264 3.738 50 0 FHAALO O=C(Nc1ccc2c(c1)CCC2)N1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000020457801 527272708 /nfs/dbraw/zinc/27/27/08/527272708.db2.gz LGTOQMBLKCPWIQ-UHFFFAOYSA-N 1 2 353.441 3.664 50 0 FHAALO Cn1cc[nH+]c1CC[C@@H]1CCCCN1C(=O)c1cc(-c2ccccc2)on1 ZINC000077440900 527428870 /nfs/dbraw/zinc/42/88/70/527428870.db2.gz NGVODUBPAHSYQN-KRWDZBQOSA-N 1 2 364.449 3.703 50 0 FHAALO Cc1[nH+]c2ccccc2n1C[C@@H](O)Cn1c2ccccc2nc1C(F)(F)F ZINC000000644439 567990063 /nfs/dbraw/zinc/99/00/63/567990063.db2.gz MMOUCXVOYKZSPD-CYBMUJFWSA-N 1 2 374.366 3.774 50 0 FHAALO Clc1ccc(-c2nnc(NCC[NH+]3CCOCC3)c3ccccc32)cc1 ZINC000000712447 568123787 /nfs/dbraw/zinc/12/37/87/568123787.db2.gz FBAHDBPEBDEZBK-UHFFFAOYSA-N 1 2 368.868 3.694 50 0 FHAALO OCc1cc2n(n1)CCC[N@H+](Cc1ccc(SC3CCCCC3)o1)C2 ZINC000221185032 568390204 /nfs/dbraw/zinc/39/02/04/568390204.db2.gz CFTLZGCVRFLJKP-UHFFFAOYSA-N 1 2 361.511 3.799 50 0 FHAALO OCc1cc2n(n1)CCC[N@@H+](Cc1ccc(SC3CCCCC3)o1)C2 ZINC000221185032 568390205 /nfs/dbraw/zinc/39/02/05/568390205.db2.gz CFTLZGCVRFLJKP-UHFFFAOYSA-N 1 2 361.511 3.799 50 0 FHAALO Cc1cccc([C@@H]2CCCN(C(=O)CC3=CSC4=[NH+]CCCN34)C2)c1 ZINC000222934968 568579858 /nfs/dbraw/zinc/57/98/58/568579858.db2.gz AFJOHVJTEIVDLD-QGZVFWFLSA-N 1 2 355.507 3.741 50 0 FHAALO O=C(Nc1ccccc1)N1CCC[C@H](c2[nH+]ccn2Cc2cccnc2)C1 ZINC000091769899 570438415 /nfs/dbraw/zinc/43/84/15/570438415.db2.gz GTMAPGRUPDFKRG-SFHVURJKSA-N 1 2 361.449 3.738 50 0 FHAALO O=C1[C@H]2CC[C@H](C[N@@H+](Cc3cc(Cl)ccc3Cl)C2)N1CC1CC1 ZINC000091907367 570442494 /nfs/dbraw/zinc/44/24/94/570442494.db2.gz GNTXACFEVIHCEQ-XJKSGUPXSA-N 1 2 353.293 3.826 50 0 FHAALO O=C1[C@H]2CC[C@H](C[N@H+](Cc3cc(Cl)ccc3Cl)C2)N1CC1CC1 ZINC000091907367 570442497 /nfs/dbraw/zinc/44/24/97/570442497.db2.gz GNTXACFEVIHCEQ-XJKSGUPXSA-N 1 2 353.293 3.826 50 0 FHAALO CCc1cc(CN(C)C(=O)[C@H](CC)n2c(CC)[nH+]c3ccccc32)on1 ZINC000095369915 570455932 /nfs/dbraw/zinc/45/59/32/570455932.db2.gz AQGNJPNXADVPJT-KRWDZBQOSA-N 1 2 354.454 3.759 50 0 FHAALO Cc1[nH+]c2ccccc2n1C[C@@H](O)COc1ccc(Br)cc1 ZINC000000857470 570461138 /nfs/dbraw/zinc/46/11/38/570461138.db2.gz NMRYYCZBJPZFQD-CQSZACIVSA-N 1 2 361.239 3.547 50 0 FHAALO Cc1nccc(-c2cccc(NC(=O)NCc3c[nH+]cn3CC(C)C)c2)n1 ZINC000095524684 570468488 /nfs/dbraw/zinc/46/84/88/570468488.db2.gz WVFRQRPPQXHRQU-UHFFFAOYSA-N 1 2 364.453 3.626 50 0 FHAALO CCCCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cccnc2SC)C1 ZINC000095529097 570469542 /nfs/dbraw/zinc/46/95/42/570469542.db2.gz JDLPZJRZGUAOOD-HNNXBMFYSA-N 1 2 358.511 3.820 50 0 FHAALO Cc1ccc(-n2nc([C@@H]3CCOC3)nc2CCc2cn3ccccc3[nH+]2)cc1 ZINC000096148156 570477232 /nfs/dbraw/zinc/47/72/32/570477232.db2.gz STLKKFSHLNMMEB-QGZVFWFLSA-N 1 2 373.460 3.513 50 0 FHAALO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1cccc(-c2cc[nH]n2)c1 ZINC000096162028 570478042 /nfs/dbraw/zinc/47/80/42/570478042.db2.gz DJWZHZCBGVEZLK-QGZVFWFLSA-N 1 2 352.442 3.510 50 0 FHAALO Cc1oc(-c2ccsc2)nc1C[N@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000096879100 570482376 /nfs/dbraw/zinc/48/23/76/570482376.db2.gz JNHLEJSLCRZBBD-OAHLLOKOSA-N 1 2 356.447 3.983 50 0 FHAALO Cc1oc(-c2ccsc2)nc1C[N@@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000096879100 570482380 /nfs/dbraw/zinc/48/23/80/570482380.db2.gz JNHLEJSLCRZBBD-OAHLLOKOSA-N 1 2 356.447 3.983 50 0 FHAALO O=C(N[C@@H](CCn1cc[nH+]c1)c1ccccc1)c1ccccc1-c1ncc[nH]1 ZINC000097173305 570484975 /nfs/dbraw/zinc/48/49/75/570484975.db2.gz GUCVIFJFBQUFRK-FQEVSTJZSA-N 1 2 371.444 3.835 50 0 FHAALO CC(C)n1cc[nH+]c1[C@H]1CCCN(C(=O)c2cnc3c(c2)CCCC3)C1 ZINC000097413222 570486852 /nfs/dbraw/zinc/48/68/52/570486852.db2.gz SWMORPWAFFVRJL-KRWDZBQOSA-N 1 2 352.482 3.758 50 0 FHAALO Cc1nn(C(C)C)c(C)c1NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000097402484 570486904 /nfs/dbraw/zinc/48/69/04/570486904.db2.gz RKMGXKDFMUIGCD-SFHVURJKSA-N 1 2 366.469 3.840 50 0 FHAALO COc1ccc([C@H](C)N(C)C(=O)c2ccccc2-c2[nH]cc[nH+]2)c(OC)c1 ZINC000097480440 570487773 /nfs/dbraw/zinc/48/77/73/570487773.db2.gz CQSDJCGWZULZOI-AWEZNQCLSA-N 1 2 365.433 3.927 50 0 FHAALO Cn1cc[nH+]c1C1CCN(C(=O)c2cccc(-c3ccc(O)cc3)c2)CC1 ZINC000097602521 570491127 /nfs/dbraw/zinc/49/11/27/570491127.db2.gz JCVMVIFCBMCNSL-UHFFFAOYSA-N 1 2 361.445 3.813 50 0 FHAALO COC1(c2ccccc2)CCN(C(=O)c2ccccc2-c2[nH]cc[nH+]2)CC1 ZINC000097815369 570495021 /nfs/dbraw/zinc/49/50/21/570495021.db2.gz RVGJUBPVDUFVPU-UHFFFAOYSA-N 1 2 361.445 3.855 50 0 FHAALO O=C(CC1=CSC2=[NH+]CCN12)N1CCC[C@@H](CCc2cccc(F)c2)C1 ZINC000102202874 570514608 /nfs/dbraw/zinc/51/46/08/570514608.db2.gz NQCVPLZVZLWRHP-INIZCTEOSA-N 1 2 373.497 3.647 50 0 FHAALO Cc1ccc2nc(C[N@H+](Cc3ccco3)Cc3ccccc3)cc(=O)n2c1 ZINC000023992979 570547603 /nfs/dbraw/zinc/54/76/03/570547603.db2.gz KEDSOQFAMRZPRI-UHFFFAOYSA-N 1 2 359.429 3.798 50 0 FHAALO Cc1ccc2nc(C[N@@H+](Cc3ccco3)Cc3ccccc3)cc(=O)n2c1 ZINC000023992979 570547607 /nfs/dbraw/zinc/54/76/07/570547607.db2.gz KEDSOQFAMRZPRI-UHFFFAOYSA-N 1 2 359.429 3.798 50 0 FHAALO CC(C)CCn1c2ccccc2[nH+]c1N1CCC(C(=O)NC(C)C)CC1 ZINC000034906750 570559601 /nfs/dbraw/zinc/55/96/01/570559601.db2.gz LDCXDJPOKORDAU-UHFFFAOYSA-N 1 2 356.514 3.823 50 0 FHAALO O=C(c1cc2c(s1)CCCCCC2)N1CCN(c2cccc[nH+]2)CC1 ZINC000004749433 570605258 /nfs/dbraw/zinc/60/52/58/570605258.db2.gz MSMLBTLSRZMRER-UHFFFAOYSA-N 1 2 355.507 3.765 50 0 FHAALO CCc1[nH+]c2ccccc2n1CCC(=O)N1CC[C@H](Oc2ccccc2)C1 ZINC000426555363 570615760 /nfs/dbraw/zinc/61/57/60/570615760.db2.gz CGOCNTGOENAYCL-SFHVURJKSA-N 1 2 363.461 3.669 50 0 FHAALO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)c2nc3ccccc3s2)CC1 ZINC000022662119 570650951 /nfs/dbraw/zinc/65/09/51/570650951.db2.gz DZSJGTRWHHXCDZ-OAHLLOKOSA-N 1 2 351.475 3.815 50 0 FHAALO O=C(Nc1ccccc1Oc1cccnc1)[C@@H]1CCC[N@@H+]1Cc1cccnc1 ZINC000012301287 570733833 /nfs/dbraw/zinc/73/38/33/570733833.db2.gz DVNBUBVKPOQHPD-FQEVSTJZSA-N 1 2 374.444 3.872 50 0 FHAALO O=C(Nc1ccccc1Oc1cccnc1)[C@@H]1CCC[N@H+]1Cc1cccnc1 ZINC000012301287 570733836 /nfs/dbraw/zinc/73/38/36/570733836.db2.gz DVNBUBVKPOQHPD-FQEVSTJZSA-N 1 2 374.444 3.872 50 0 FHAALO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCC[C@H](Nc2cccc(F)c2)C1 ZINC000012304751 570734282 /nfs/dbraw/zinc/73/42/82/570734282.db2.gz VLBQXNTWFPLDBB-IBGZPJMESA-N 1 2 364.424 3.728 50 0 FHAALO CSc1cccc(NC(=O)[C@H](C)[NH+]2CCN(c3ccccc3F)CC2)c1 ZINC000012380881 570740993 /nfs/dbraw/zinc/74/09/93/570740993.db2.gz DMQFASYNPZTUIQ-HNNXBMFYSA-N 1 2 373.497 3.697 50 0 FHAALO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCCC[C@H]2c2nccn2C)cc1F ZINC000012446099 570746650 /nfs/dbraw/zinc/74/66/50/570746650.db2.gz SJNIXDYJADOEJM-KRWDZBQOSA-N 1 2 369.444 3.685 50 0 FHAALO COc1ccc(-c2n[nH]cc2C[N@H+]2CCCC[C@H]2c2nccn2C)cc1F ZINC000012446099 570746655 /nfs/dbraw/zinc/74/66/55/570746655.db2.gz SJNIXDYJADOEJM-KRWDZBQOSA-N 1 2 369.444 3.685 50 0 FHAALO CC(=O)c1ccc(C(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3F)C2)s1 ZINC000012594758 570753057 /nfs/dbraw/zinc/75/30/57/570753057.db2.gz WMKHHXWSTGCLKZ-INIZCTEOSA-N 1 2 374.481 3.826 50 0 FHAALO CC(=O)c1ccc(C(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)s1 ZINC000012594758 570753059 /nfs/dbraw/zinc/75/30/59/570753059.db2.gz WMKHHXWSTGCLKZ-INIZCTEOSA-N 1 2 374.481 3.826 50 0 FHAALO Cc1ccc(C2(c3noc(C[N@@H+]4CCCC[C@@H]4CO)n3)CCCC2)cc1 ZINC000012713408 570757616 /nfs/dbraw/zinc/75/76/16/570757616.db2.gz KCZYEBADHWSZSL-GOSISDBHSA-N 1 2 355.482 3.585 50 0 FHAALO Cc1ccc(C2(c3noc(C[N@H+]4CCCC[C@@H]4CO)n3)CCCC2)cc1 ZINC000012713408 570757620 /nfs/dbraw/zinc/75/76/20/570757620.db2.gz KCZYEBADHWSZSL-GOSISDBHSA-N 1 2 355.482 3.585 50 0 FHAALO Cc1ccc(C2(c3noc(C[N@@H+]4CCCC[C@H]4CO)n3)CCCC2)cc1 ZINC000012713412 570757741 /nfs/dbraw/zinc/75/77/41/570757741.db2.gz KCZYEBADHWSZSL-SFHVURJKSA-N 1 2 355.482 3.585 50 0 FHAALO Cc1ccc(C2(c3noc(C[N@H+]4CCCC[C@H]4CO)n3)CCCC2)cc1 ZINC000012713412 570757744 /nfs/dbraw/zinc/75/77/44/570757744.db2.gz KCZYEBADHWSZSL-SFHVURJKSA-N 1 2 355.482 3.585 50 0 FHAALO O=C(Cc1ccccc1)N[C@@H]([NH2+]C1CCCCC1)C(Cl)(Cl)Cl ZINC000013476762 570778057 /nfs/dbraw/zinc/77/80/57/570778057.db2.gz GVMXVRRNOOLCDW-OAHLLOKOSA-N 1 2 363.716 3.964 50 0 FHAALO COc1ccc(-c2[nH]cc(CCNC(=O)Cc3ccc(Cl)cc3)[nH+]2)cc1 ZINC000013627624 570781169 /nfs/dbraw/zinc/78/11/69/570781169.db2.gz GDKRPJQVIIZKLR-UHFFFAOYSA-N 1 2 369.852 3.640 50 0 FHAALO COc1ccc(-c2[nH]c(CCNC(=O)Cc3ccc(Cl)cc3)c[nH+]2)cc1 ZINC000013627624 570781172 /nfs/dbraw/zinc/78/11/72/570781172.db2.gz GDKRPJQVIIZKLR-UHFFFAOYSA-N 1 2 369.852 3.640 50 0 FHAALO O=C(CSc1[nH+][nH]cc2c3cc(F)ccc3nc1-2)NC1CCCCC1 ZINC000032752899 570792152 /nfs/dbraw/zinc/79/21/52/570792152.db2.gz CTBYPTZHSFVTBJ-UHFFFAOYSA-N 1 2 358.442 3.791 50 0 FHAALO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc(F)c(F)c2F)cc1F ZINC000014095881 570805373 /nfs/dbraw/zinc/80/53/73/570805373.db2.gz JVUNYPINJJKUSK-SNVBAGLBSA-N 1 2 370.346 3.711 50 0 FHAALO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc(F)c(F)c2F)cc1F ZINC000014095881 570805377 /nfs/dbraw/zinc/80/53/77/570805377.db2.gz JVUNYPINJJKUSK-SNVBAGLBSA-N 1 2 370.346 3.711 50 0 FHAALO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000014110450 570806299 /nfs/dbraw/zinc/80/62/99/570806299.db2.gz UGPNIHJTMPAAGK-HNNXBMFYSA-N 1 2 361.445 3.579 50 0 FHAALO Cn1c(=S)n(C[N@@H+]2CCC[C@H]2c2ccccc2)nc1-c1cccnc1 ZINC000014159073 570809411 /nfs/dbraw/zinc/80/94/11/570809411.db2.gz FXCXZPZYLYMUOD-KRWDZBQOSA-N 1 2 351.479 3.808 50 0 FHAALO Cn1c(=S)n(C[N@H+]2CCC[C@H]2c2ccccc2)nc1-c1cccnc1 ZINC000014159073 570809414 /nfs/dbraw/zinc/80/94/14/570809414.db2.gz FXCXZPZYLYMUOD-KRWDZBQOSA-N 1 2 351.479 3.808 50 0 FHAALO CC(=O)Nc1ccc(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)cc1 ZINC000014199688 570812164 /nfs/dbraw/zinc/81/21/64/570812164.db2.gz PHJRKFXKISIMCL-UHFFFAOYSA-N 1 2 372.494 3.586 50 0 FHAALO C[C@@H](CCc1ccccc1)NC(=O)C[N@H+](Cc1ccccc1F)C1CC1 ZINC000014247195 570815816 /nfs/dbraw/zinc/81/58/16/570815816.db2.gz LDXKVTDULQDUJN-KRWDZBQOSA-N 1 2 354.469 3.928 50 0 FHAALO C[C@@H](CCc1ccccc1)NC(=O)C[N@@H+](Cc1ccccc1F)C1CC1 ZINC000014247195 570815818 /nfs/dbraw/zinc/81/58/18/570815818.db2.gz LDXKVTDULQDUJN-KRWDZBQOSA-N 1 2 354.469 3.928 50 0 FHAALO O=Cc1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(Br)c1 ZINC000014628802 570821361 /nfs/dbraw/zinc/82/13/61/570821361.db2.gz RJQOEOHVLBKVHV-UHFFFAOYSA-N 1 2 359.267 3.584 50 0 FHAALO O=C(c1cc2ccccc2o1)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000014900579 570825888 /nfs/dbraw/zinc/82/58/88/570825888.db2.gz KMPDWYNXHWDIRW-UHFFFAOYSA-N 1 2 371.440 3.939 50 0 FHAALO O=C(c1cccs1)[C@@H]1CCC[N@H+](Cc2nc(-c3ccccc3)no2)C1 ZINC000014965574 570827269 /nfs/dbraw/zinc/82/72/69/570827269.db2.gz CNIMEMROKIHISF-OAHLLOKOSA-N 1 2 353.447 3.893 50 0 FHAALO O=C(c1cccs1)[C@@H]1CCC[N@@H+](Cc2nc(-c3ccccc3)no2)C1 ZINC000014965574 570827273 /nfs/dbraw/zinc/82/72/73/570827273.db2.gz CNIMEMROKIHISF-OAHLLOKOSA-N 1 2 353.447 3.893 50 0 FHAALO Cc1ccc(OCCC(=O)NCc2ccccc2Cn2cc[nH+]c2)c(C)c1 ZINC000024437802 570832089 /nfs/dbraw/zinc/83/20/89/570832089.db2.gz RLBSWXLLKFMEDT-UHFFFAOYSA-N 1 2 363.461 3.634 50 0 FHAALO Cc1nc2sc3c(c2c(NCc2ccc(-n4cc[nH+]c4)nc2)n1)CCC3 ZINC000032888353 570835915 /nfs/dbraw/zinc/83/59/15/570835915.db2.gz SKBIWPNYKQTCAJ-UHFFFAOYSA-N 1 2 362.462 3.681 50 0 FHAALO Cc1ccc(-n2c(=S)n(C[NH+]3CCCC3)nc2-c2ccncc2)cc1 ZINC000015554000 570840161 /nfs/dbraw/zinc/84/01/61/570840161.db2.gz YKTOTXZZSXFZPR-UHFFFAOYSA-N 1 2 351.479 3.827 50 0 FHAALO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+](C)Cc1cccc(Cl)c1Cl ZINC000016376434 570855338 /nfs/dbraw/zinc/85/53/38/570855338.db2.gz HHSJJDLIELIRFO-LBPRGKRZSA-N 1 2 369.296 3.803 50 0 FHAALO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+](C)Cc1cccc(Cl)c1Cl ZINC000016376434 570855342 /nfs/dbraw/zinc/85/53/42/570855342.db2.gz HHSJJDLIELIRFO-LBPRGKRZSA-N 1 2 369.296 3.803 50 0 FHAALO O=C(c1ccc(-c2ccccc2Cl)o1)N1CCN(c2cccc[nH+]2)CC1 ZINC000016638371 570859103 /nfs/dbraw/zinc/85/91/03/570859103.db2.gz FUPWZQGEVFLSJA-UHFFFAOYSA-N 1 2 367.836 3.957 50 0 FHAALO CCCOc1ccc(C(=O)[C@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000019313985 570885579 /nfs/dbraw/zinc/88/55/79/570885579.db2.gz WVAHEPZRTLCPMI-OAQYLSRUSA-N 1 2 353.462 3.774 50 0 FHAALO CCn1c2ccccc2n(C[C@H](O)c2ccc(Cl)c(Cl)c2)c1=[NH2+] ZINC000019708050 570898978 /nfs/dbraw/zinc/89/89/78/570898978.db2.gz HEDISQHZLJWIDR-INIZCTEOSA-N 1 2 350.249 3.983 50 0 FHAALO O=C(C1CC1)N1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000019928961 570907137 /nfs/dbraw/zinc/90/71/37/570907137.db2.gz LWWIBRRRUDBIPK-UHFFFAOYSA-N 1 2 356.416 3.608 50 0 FHAALO O=C(Nc1ccccc1-n1cc[nH+]c1)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000045940328 570915276 /nfs/dbraw/zinc/91/52/76/570915276.db2.gz HJOSSHMXUONKSF-SFHVURJKSA-N 1 2 363.417 3.682 50 0 FHAALO CC(=O)c1c(C)cc(C)c(C[NH+]2CCN(Cc3ccccn3)CC2)c1C ZINC000022134209 570940301 /nfs/dbraw/zinc/94/03/01/570940301.db2.gz KKOINUCEKKISEK-UHFFFAOYSA-N 1 2 351.494 3.527 50 0 FHAALO S=c1sc2ccccc2n1CN1CC[NH+](Cc2ccncc2)CC1 ZINC000022924538 570953304 /nfs/dbraw/zinc/95/33/04/570953304.db2.gz QTAQBNMUPSKUTD-UHFFFAOYSA-N 1 2 356.520 3.603 50 0 FHAALO Cc1nn(C(C)C)c(C)c1NC(=O)Nc1cccc(Cn2cc[nH+]c2)c1 ZINC000048373947 570953541 /nfs/dbraw/zinc/95/35/41/570953541.db2.gz OXOFOHINDCWXTC-UHFFFAOYSA-N 1 2 352.442 3.970 50 0 FHAALO COc1cccc(C(=O)[C@H]2CCC[N@H+](Cc3nc4cc(F)ccc4[nH]3)C2)c1 ZINC000023129956 570956995 /nfs/dbraw/zinc/95/69/95/570956995.db2.gz GBCCQQKHPJLNSG-HNNXBMFYSA-N 1 2 367.424 3.806 50 0 FHAALO COc1cccc(C(=O)[C@H]2CCC[N@@H+](Cc3nc4cc(F)ccc4[nH]3)C2)c1 ZINC000023129956 570956998 /nfs/dbraw/zinc/95/69/98/570956998.db2.gz GBCCQQKHPJLNSG-HNNXBMFYSA-N 1 2 367.424 3.806 50 0 FHAALO C[N@@H+](Cc1ccc(F)cc1)Cc1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000023508573 570964555 /nfs/dbraw/zinc/96/45/55/570964555.db2.gz FVDVQUOMBLTULO-UHFFFAOYSA-N 1 2 357.454 3.635 50 0 FHAALO C[N@H+](Cc1ccc(F)cc1)Cc1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000023508573 570964561 /nfs/dbraw/zinc/96/45/61/570964561.db2.gz FVDVQUOMBLTULO-UHFFFAOYSA-N 1 2 357.454 3.635 50 0 FHAALO COc1ccc(C[N@H+](Cc2nc3cc(Cl)ccc3c(=O)[nH]2)C2CC2)cc1 ZINC000023731992 570967443 /nfs/dbraw/zinc/96/74/43/570967443.db2.gz QQWLWLRSZARJKO-UHFFFAOYSA-N 1 2 369.852 3.750 50 0 FHAALO COc1ccc(C[N@@H+](Cc2nc3cc(Cl)ccc3c(=O)[nH]2)C2CC2)cc1 ZINC000023731992 570967446 /nfs/dbraw/zinc/96/74/46/570967446.db2.gz QQWLWLRSZARJKO-UHFFFAOYSA-N 1 2 369.852 3.750 50 0 FHAALO O=C(Cc1cccc2ccccc21)NCc1ccccc1C[NH+]1CCOCC1 ZINC000023844879 570968024 /nfs/dbraw/zinc/96/80/24/570968024.db2.gz NYHHQBJLUTWDPB-UHFFFAOYSA-N 1 2 374.484 3.531 50 0 FHAALO Cc1ccc(-c2cc(C(=O)N3CC[N@@H+](C)C[C@H]3c3ccccc3)[nH]n2)s1 ZINC000024443911 570975859 /nfs/dbraw/zinc/97/58/59/570975859.db2.gz GNNZTHXLSRWFQW-SFHVURJKSA-N 1 2 366.490 3.576 50 0 FHAALO Cc1ccc(-c2cc(C(=O)N3CC[N@H+](C)C[C@H]3c3ccccc3)[nH]n2)s1 ZINC000024443911 570975862 /nfs/dbraw/zinc/97/58/62/570975862.db2.gz GNNZTHXLSRWFQW-SFHVURJKSA-N 1 2 366.490 3.576 50 0 FHAALO O=C(Nc1ccccc1N1CCCCCC1)c1ccc(-n2cc[nH+]c2)nc1 ZINC000024868239 570984772 /nfs/dbraw/zinc/98/47/72/570984772.db2.gz KVOSGAKBJHLVMV-UHFFFAOYSA-N 1 2 361.449 3.900 50 0 FHAALO O=C(Nc1ccc(-n2cc[nH+]c2)nc1)c1occc1COc1ccccc1 ZINC000024905512 570985681 /nfs/dbraw/zinc/98/56/81/570985681.db2.gz FHDYRLWXBLUPFJ-UHFFFAOYSA-N 1 2 360.373 3.692 50 0 FHAALO CC1CC[NH+]([C@H](CNC(=O)c2n[nH]c3ccccc32)c2cccs2)CC1 ZINC000025139570 570991420 /nfs/dbraw/zinc/99/14/20/570991420.db2.gz JZWTXJIDBXMJMB-QGZVFWFLSA-N 1 2 368.506 3.827 50 0 FHAALO Cn1cc[nH+]c1[C@H](NC(=O)c1cc(-c2ccccc2)on1)c1ccccc1 ZINC000025159644 570991819 /nfs/dbraw/zinc/99/18/19/570991819.db2.gz OQKRYHJKZSIHLU-LJQANCHMSA-N 1 2 358.401 3.595 50 0 FHAALO O[C@@H](COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)Cn1cc[nH+]c1 ZINC000025693048 570999301 /nfs/dbraw/zinc/99/93/01/570999301.db2.gz DJVNDAABPHREFM-MYZSEDEFSA-N 1 2 352.478 3.791 50 0 FHAALO CCCCc1noc(C[N@@H+]2CCCC[C@@H]2CNC(=O)Nc2ccccc2)n1 ZINC000026181958 571003504 /nfs/dbraw/zinc/00/35/04/571003504.db2.gz WCUJSRKZZASKLN-QGZVFWFLSA-N 1 2 371.485 3.588 50 0 FHAALO CCCCc1noc(C[N@H+]2CCCC[C@@H]2CNC(=O)Nc2ccccc2)n1 ZINC000026181958 571003507 /nfs/dbraw/zinc/00/35/07/571003507.db2.gz WCUJSRKZZASKLN-QGZVFWFLSA-N 1 2 371.485 3.588 50 0 FHAALO C[C@@H](NC(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1ccc(Cl)cc1 ZINC000026303465 571003935 /nfs/dbraw/zinc/00/39/35/571003935.db2.gz RIYARLZMNZTGFH-CQSZACIVSA-N 1 2 358.873 3.896 50 0 FHAALO O=C([C@@H]1C[C@@H]1c1ccc(Cl)cc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000028631874 571033891 /nfs/dbraw/zinc/03/38/91/571033891.db2.gz FTCGBFPGIMPIGD-QZTJIDSGSA-N 1 2 360.910 3.849 50 0 FHAALO C[C@H]1c2ccsc2CC[N@@H+]1CC(=O)Nc1ccccc1OC(F)F ZINC000029194343 571037606 /nfs/dbraw/zinc/03/76/06/571037606.db2.gz RNKDOTAQDUTJLF-NSHDSACASA-N 1 2 352.406 3.907 50 0 FHAALO C[C@H]1c2ccsc2CC[N@H+]1CC(=O)Nc1ccccc1OC(F)F ZINC000029194343 571037604 /nfs/dbraw/zinc/03/76/04/571037604.db2.gz RNKDOTAQDUTJLF-NSHDSACASA-N 1 2 352.406 3.907 50 0 FHAALO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+]2CC=C(c3ccc(O)cc3)CC2)c1C ZINC000025680226 571044572 /nfs/dbraw/zinc/04/45/72/571044572.db2.gz QBZZGCXFPWFXPW-HNNXBMFYSA-N 1 2 366.461 3.900 50 0 FHAALO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+]2CC=C(c3ccc(O)cc3)CC2)c1C ZINC000025680226 571044575 /nfs/dbraw/zinc/04/45/75/571044575.db2.gz QBZZGCXFPWFXPW-HNNXBMFYSA-N 1 2 366.461 3.900 50 0 FHAALO Cc1ccc(C[NH2+][C@@H]2CNC(=O)c3cc(-c4ccc(Cl)cc4)nn32)cc1 ZINC000263615452 571045932 /nfs/dbraw/zinc/04/59/32/571045932.db2.gz CLPOHKJOJONULA-IBGZPJMESA-N 1 2 366.852 3.544 50 0 FHAALO Cc1ccc(OCC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c(C)c1 ZINC000012750149 571072963 /nfs/dbraw/zinc/07/29/63/571072963.db2.gz HAUWNUMJJJYYGT-UHFFFAOYSA-N 1 2 359.495 3.763 50 0 FHAALO CC1CC[NH+](Cc2csc(NC(=O)COc3cccc(F)c3)n2)CC1 ZINC000012784512 571099959 /nfs/dbraw/zinc/09/99/59/571099959.db2.gz BMNDCHOXKKIJPO-UHFFFAOYSA-N 1 2 363.458 3.532 50 0 FHAALO CCC[C@H](C)[NH+]1CCN(C(=O)c2cc(-c3ccc(CC)cc3)[nH]n2)CC1 ZINC000015679309 571103337 /nfs/dbraw/zinc/10/33/37/571103337.db2.gz QGPQBTMCNPWSHE-INIZCTEOSA-N 1 2 354.498 3.586 50 0 FHAALO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000069949661 571105930 /nfs/dbraw/zinc/10/59/30/571105930.db2.gz NEERSHUGBBCXJQ-HXUWFJFHSA-N 1 2 371.444 3.785 50 0 FHAALO CC(C)Cc1noc(C[N@H+](C)Cc2ccc3c4c2cccc4C(=O)OC3)n1 ZINC000244872993 571118206 /nfs/dbraw/zinc/11/82/06/571118206.db2.gz WICWXAROFMAFRH-UHFFFAOYSA-N 1 2 365.433 3.724 50 0 FHAALO CC(C)Cc1noc(C[N@@H+](C)Cc2ccc3c4c2cccc4C(=O)OC3)n1 ZINC000244872993 571118210 /nfs/dbraw/zinc/11/82/10/571118210.db2.gz WICWXAROFMAFRH-UHFFFAOYSA-N 1 2 365.433 3.724 50 0 FHAALO COc1cc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(Cl)s2)cc(OC)c1 ZINC000018939009 571124952 /nfs/dbraw/zinc/12/49/52/571124952.db2.gz FSLCZUKWRNIYJO-NSHDSACASA-N 1 2 368.886 3.878 50 0 FHAALO COc1cc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(Cl)s2)cc(OC)c1 ZINC000018939009 571124949 /nfs/dbraw/zinc/12/49/49/571124949.db2.gz FSLCZUKWRNIYJO-NSHDSACASA-N 1 2 368.886 3.878 50 0 FHAALO c1coc(-c2nnc(C[N@@H+]3CCC[C@@H]3c3ccc4c(c3)OCCCO4)o2)c1 ZINC000012868066 571130897 /nfs/dbraw/zinc/13/08/97/571130897.db2.gz FCLISXPUUQZHOL-OAHLLOKOSA-N 1 2 367.405 3.828 50 0 FHAALO c1coc(-c2nnc(C[N@H+]3CCC[C@@H]3c3ccc4c(c3)OCCCO4)o2)c1 ZINC000012868066 571130900 /nfs/dbraw/zinc/13/09/00/571130900.db2.gz FCLISXPUUQZHOL-OAHLLOKOSA-N 1 2 367.405 3.828 50 0 FHAALO CC(C)c1noc(C2CC[NH+](Cc3nccn3Cc3ccccc3)CC2)n1 ZINC000252488430 571132617 /nfs/dbraw/zinc/13/26/17/571132617.db2.gz IRSHJKDYNYOQTH-UHFFFAOYSA-N 1 2 365.481 3.817 50 0 FHAALO COc1ccccc1NC(=O)C[N@H+](C)Cc1ccccc1N1CCCCC1 ZINC000015103727 571139828 /nfs/dbraw/zinc/13/98/28/571139828.db2.gz NZJIQHHLZFNIHU-UHFFFAOYSA-N 1 2 367.493 3.756 50 0 FHAALO COc1ccccc1NC(=O)C[N@@H+](C)Cc1ccccc1N1CCCCC1 ZINC000015103727 571139830 /nfs/dbraw/zinc/13/98/30/571139830.db2.gz NZJIQHHLZFNIHU-UHFFFAOYSA-N 1 2 367.493 3.756 50 0 FHAALO Cc1noc(-c2ccc(C(=O)Nc3cccc(Cn4cc[nH+]c4)c3)cc2)n1 ZINC000025178396 571140647 /nfs/dbraw/zinc/14/06/47/571140647.db2.gz WFJLSKNUBBAZKB-UHFFFAOYSA-N 1 2 359.389 3.542 50 0 FHAALO CCOc1cccc(C[N@@H+]2CCc3nc(N4CCC(C)CC4)ncc3C2)c1 ZINC000021640308 571144664 /nfs/dbraw/zinc/14/46/64/571144664.db2.gz UKNHRLLBFNDZJW-UHFFFAOYSA-N 1 2 366.509 3.670 50 0 FHAALO CCOc1cccc(C[N@H+]2CCc3nc(N4CCC(C)CC4)ncc3C2)c1 ZINC000021640308 571144667 /nfs/dbraw/zinc/14/46/67/571144667.db2.gz UKNHRLLBFNDZJW-UHFFFAOYSA-N 1 2 366.509 3.670 50 0 FHAALO CCn1c2ccc(F)cc2[nH+]c1Cn1nc(-c2ccccc2F)ccc1=O ZINC000150985141 571145581 /nfs/dbraw/zinc/14/55/81/571145581.db2.gz GQUNIWSPNSGNNI-UHFFFAOYSA-N 1 2 366.371 3.606 50 0 FHAALO O=C(CCCC(=O)Nc1cccc(Cl)c1)Nc1c[nH+]c2n1CCCC2 ZINC000067921285 571151891 /nfs/dbraw/zinc/15/18/91/571151891.db2.gz HHPUTPHXHPFFNQ-UHFFFAOYSA-N 1 2 360.845 3.620 50 0 FHAALO C[C@H](C(=O)NCc1ccc[nH+]c1N(C)CCc1ccccn1)c1ccccc1 ZINC000067956223 571152592 /nfs/dbraw/zinc/15/25/92/571152592.db2.gz LATACAWDYZQXAL-SFHVURJKSA-N 1 2 374.488 3.575 50 0 FHAALO O=C(Cc1ccc(Cl)cc1F)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000071375960 571160998 /nfs/dbraw/zinc/16/09/98/571160998.db2.gz ICBBFYZEQKILBF-QPJJXVBHSA-N 1 2 372.871 3.879 50 0 FHAALO COc1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000071759930 571165559 /nfs/dbraw/zinc/16/55/59/571165559.db2.gz YMFNAOAONFXTPQ-AWEZNQCLSA-N 1 2 357.281 3.589 50 0 FHAALO COc1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000071759930 571165561 /nfs/dbraw/zinc/16/55/61/571165561.db2.gz 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/nfs/dbraw/zinc/17/51/59/571175159.db2.gz ASRXDMFBFFYHCF-UHFFFAOYSA-N 1 2 366.446 3.917 50 0 FHAALO O=C(N[C@@H](Cc1[nH]cc[nH+]1)c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000012531933 571175202 /nfs/dbraw/zinc/17/52/02/571175202.db2.gz XRAARQAPRUUHKY-INIZCTEOSA-N 1 2 357.360 3.725 50 0 FHAALO Cc1cc(C(=O)N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)c2ccccc2n1 ZINC000012532059 571175253 /nfs/dbraw/zinc/17/52/53/571175253.db2.gz ZLUMIMWBVKEOOZ-FQEVSTJZSA-N 1 2 374.419 3.935 50 0 FHAALO C[C@H](NC(=O)c1ccccc1OC(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012535386 571175870 /nfs/dbraw/zinc/17/58/70/571175870.db2.gz BFRSWJUEUQXTGO-ZDUSSCGKSA-N 1 2 357.360 3.965 50 0 FHAALO O=C(Cn1cc[nH+]c1)N1N=C(c2cc3ccccc3o2)C[C@@H]1c1ccco1 ZINC000012535541 571175910 /nfs/dbraw/zinc/17/59/10/571175910.db2.gz CHCAKICCSSBHOC-MRXNPFEDSA-N 1 2 360.373 3.600 50 0 FHAALO O=C(N[C@@H](Cc1[nH]cc[nH+]1)c1ccccc1)c1cccc(-n2cccc2)c1 ZINC000012538762 571176525 /nfs/dbraw/zinc/17/65/25/571176525.db2.gz UJRLPKRLZBPEDZ-FQEVSTJZSA-N 1 2 356.429 3.914 50 0 FHAALO Cc1cc(NC(=O)N(C)CCCn2cc[nH+]c2)ccc1Oc1cccnc1 ZINC000122983578 571183177 /nfs/dbraw/zinc/18/31/77/571183177.db2.gz BSJVINVUOMLSCH-UHFFFAOYSA-N 1 2 365.437 3.933 50 0 FHAALO COc1ccc(OC)c(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)c1 ZINC000013010843 571188228 /nfs/dbraw/zinc/18/82/28/571188228.db2.gz SKWKFTWYZNRFBT-SFHVURJKSA-N 1 2 358.413 3.619 50 0 FHAALO COc1ccc(OC)c(NC(=O)C[N@H+]2CCC[C@H]2c2ccc(F)cc2)c1 ZINC000013010843 571188230 /nfs/dbraw/zinc/18/82/30/571188230.db2.gz SKWKFTWYZNRFBT-SFHVURJKSA-N 1 2 358.413 3.619 50 0 FHAALO CC(C)(C)c1cc([C@@H]2c3[nH]c[nH+]c3CCN2Cc2ccc(F)c(F)c2)[nH]n1 ZINC000072423240 571193604 /nfs/dbraw/zinc/19/36/04/571193604.db2.gz PUBTZCLVBJLXNJ-LJQANCHMSA-N 1 2 371.435 3.856 50 0 FHAALO O=C(c1cccc(-c2[nH]cc[nH+]2)c1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000072427832 571194768 /nfs/dbraw/zinc/19/47/68/571194768.db2.gz NGYXNAIXHGGUIH-QGZVFWFLSA-N 1 2 371.444 3.973 50 0 FHAALO CC(C)[C@H](NC(=O)c1ccc(N2CCCC2)c(Cl)c1)c1[nH+]ccn1C ZINC000299776541 571197006 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OCCOc1ccccc1C[N@@H+]1CCCC[C@@H]1c1nc2cc(F)ccc2[nH]1 ZINC000077286471 571206065 /nfs/dbraw/zinc/20/60/65/571206065.db2.gz CTOVJSIDYDCVHF-LJQANCHMSA-N 1 2 369.440 3.800 50 0 FHAALO OCCOc1ccccc1C[N@H+]1CCCC[C@@H]1c1nc2cc(F)ccc2[nH]1 ZINC000077286471 571206067 /nfs/dbraw/zinc/20/60/67/571206067.db2.gz CTOVJSIDYDCVHF-LJQANCHMSA-N 1 2 369.440 3.800 50 0 FHAALO CCCO[C@@H]1CCCN(C(=O)c2cccc(-c3[nH+]cnc4[nH]ccc43)c2)C1 ZINC000534637071 571207116 /nfs/dbraw/zinc/20/71/16/571207116.db2.gz UYUKHNMSYBKIQG-QGZVFWFLSA-N 1 2 364.449 3.608 50 0 FHAALO Cc1cc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c2cc(Cl)ccc2n1 ZINC000077321118 571207609 /nfs/dbraw/zinc/20/76/09/571207609.db2.gz FZPCITVRULCZEA-CYBMUJFWSA-N 1 2 354.841 3.940 50 0 FHAALO Nc1cc2cc(-c3cccc(C(=O)N4CCC5(CCO5)CC4)c3)ccc2c[nH+]1 ZINC000534664670 571208525 /nfs/dbraw/zinc/20/85/25/571208525.db2.gz UQBPYHSSXMCDQY-UHFFFAOYSA-N 1 2 373.456 3.709 50 0 FHAALO CC(C)Cn1c[nH+]cc1CNC(=O)N(C)Cc1cc(-c2ccccc2)no1 ZINC000534675036 571208531 /nfs/dbraw/zinc/20/85/31/571208531.db2.gz YHLDQVWRGKUKOK-UHFFFAOYSA-N 1 2 367.453 3.536 50 0 FHAALO CCCN(CCOC)C(=O)c1ccc(-c2ccc3c[nH+]c(N)cc3c2)cc1 ZINC000534672455 571208629 /nfs/dbraw/zinc/20/86/29/571208629.db2.gz VHQQMJOMEGBGBB-UHFFFAOYSA-N 1 2 363.461 3.813 50 0 FHAALO Cc1ccc(-c2cc(C(=O)N(C)C[C@@H]3Cc4ccccc4C[N@@H+]3C)n[nH]2)cc1 ZINC000077375552 571209291 /nfs/dbraw/zinc/20/92/91/571209291.db2.gz ZNZIYGDBSMJPPA-FQEVSTJZSA-N 1 2 374.488 3.514 50 0 FHAALO Cc1ccc(-c2cc(C(=O)N(C)C[C@@H]3Cc4ccccc4C[N@H+]3C)n[nH]2)cc1 ZINC000077375552 571209294 /nfs/dbraw/zinc/20/92/94/571209294.db2.gz ZNZIYGDBSMJPPA-FQEVSTJZSA-N 1 2 374.488 3.514 50 0 FHAALO Cc1c(C(=O)NCc2[nH+]ccn2C)c(-c2ccccc2)nn1-c1ccccc1 ZINC000426360482 571215293 /nfs/dbraw/zinc/21/52/93/571215293.db2.gz VRWQTVRFDYGLKK-UHFFFAOYSA-N 1 2 371.444 3.511 50 0 FHAALO COc1ccc([C@@H](C2Sc3nc(C)nn3C2=O)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000023157251 571218789 /nfs/dbraw/zinc/21/87/89/571218789.db2.gz KMUYYDKGQKKFLS-WBMJQRKESA-N 1 2 372.494 3.635 50 0 FHAALO COc1ccc([C@@H](C2Sc3nc(C)nn3C2=O)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000023157251 571218790 /nfs/dbraw/zinc/21/87/90/571218790.db2.gz KMUYYDKGQKKFLS-WBMJQRKESA-N 1 2 372.494 3.635 50 0 FHAALO Cc1nc2n(n1)C(=O)C([C@H](c1ccccc1)[NH+]1C[C@@H](C)C[C@H](C)C1)S2 ZINC000023156790 571219082 /nfs/dbraw/zinc/21/90/82/571219082.db2.gz TWNXXGNDLYDOKC-XEZPLFJOSA-N 1 2 356.495 3.872 50 0 FHAALO C[C@H](NC(=O)c1cccc(Cl)c1)[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000023180992 571226567 /nfs/dbraw/zinc/22/65/67/571226567.db2.gz RZVPOMVMQRGSHT-SUMWQHHRSA-N 1 2 364.898 3.593 50 0 FHAALO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1csc(-c2cccs2)n1 ZINC000082121214 571228888 /nfs/dbraw/zinc/22/88/88/571228888.db2.gz UIHHGCDHAHETAQ-AWEZNQCLSA-N 1 2 360.508 3.913 50 0 FHAALO Cc1cc(C(=O)N2CCC(Nc3cccc[nH+]3)CC2)c2cccc(C)c2n1 ZINC000082121411 571228915 /nfs/dbraw/zinc/22/89/15/571228915.db2.gz HKAGCHZIMXYVBZ-UHFFFAOYSA-N 1 2 360.461 3.963 50 0 FHAALO Fc1cccc(Cl)c1Cn1ncnc1[C@@H](c1cccnc1)[NH+]1CCCC1 ZINC000091462345 571239819 /nfs/dbraw/zinc/23/98/19/571239819.db2.gz RDROMBLHWBBOLZ-GOSISDBHSA-N 1 2 371.847 3.699 50 0 FHAALO CC(C)(C)COC(=O)N1CCC[C@@H](c2[nH+]ccn2Cc2cccnc2)C1 ZINC000091713886 571242752 /nfs/dbraw/zinc/24/27/52/571242752.db2.gz YFBJAXKCDQFLCH-QGZVFWFLSA-N 1 2 356.470 3.689 50 0 FHAALO CCC(=O)N1CCN(c2nc(-c3cccc(C)c3)[nH+]c(C)c2C(C)C)CC1 ZINC000006836265 571249672 /nfs/dbraw/zinc/24/96/72/571249672.db2.gz MAWKWDQOXHNRTL-UHFFFAOYSA-N 1 2 366.509 3.942 50 0 FHAALO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H](C)Oc1ccccc1Cl ZINC000170613657 571268054 /nfs/dbraw/zinc/26/80/54/571268054.db2.gz NEFZGRHRYYVICG-OAHLLOKOSA-N 1 2 363.889 3.805 50 0 FHAALO CCCCOc1ccc(C[NH+]2CCN(C(=O)NC3CCCC3)CC2)cc1 ZINC000013328296 571270823 /nfs/dbraw/zinc/27/08/23/571270823.db2.gz WEPSMICMLJGMKD-UHFFFAOYSA-N 1 2 359.514 3.635 50 0 FHAALO Cc1cccc(C[N@H+]2CCN(c3cccc(Br)c3)C(=O)[C@H]2C)c1 ZINC000037521668 571286972 /nfs/dbraw/zinc/28/69/72/571286972.db2.gz CNYYEOGNNBPLRC-OAHLLOKOSA-N 1 2 373.294 3.995 50 0 FHAALO COc1ccc(Cl)cc1N1CC[N@H+](Cc2cccc(C)c2)[C@@H](C)C1=O ZINC000037519713 571286735 /nfs/dbraw/zinc/28/67/35/571286735.db2.gz YGMNSVJSTAGMGZ-HNNXBMFYSA-N 1 2 358.869 3.894 50 0 FHAALO COc1ccc(Cl)cc1N1CC[N@@H+](Cc2cccc(C)c2)[C@@H](C)C1=O ZINC000037519713 571286736 /nfs/dbraw/zinc/28/67/36/571286736.db2.gz YGMNSVJSTAGMGZ-HNNXBMFYSA-N 1 2 358.869 3.894 50 0 FHAALO Cc1cccc(C[N@@H+]2CCN(c3cccc(Br)c3)C(=O)[C@H]2C)c1 ZINC000037521668 571286970 /nfs/dbraw/zinc/28/69/70/571286970.db2.gz CNYYEOGNNBPLRC-OAHLLOKOSA-N 1 2 373.294 3.995 50 0 FHAALO CC(C)n1nccc1C[N@@H+]1C[C@H](O)C[C@@H]1c1ccccc1C(F)(F)F ZINC000253395996 571311985 /nfs/dbraw/zinc/31/19/85/571311985.db2.gz JOVYKKPALUIKHC-RHSMWYFYSA-N 1 2 353.388 3.791 50 0 FHAALO CC(C)n1nccc1C[N@H+]1C[C@H](O)C[C@@H]1c1ccccc1C(F)(F)F ZINC000253395996 571311986 /nfs/dbraw/zinc/31/19/86/571311986.db2.gz JOVYKKPALUIKHC-RHSMWYFYSA-N 1 2 353.388 3.791 50 0 FHAALO CC(C)n1nccc1C[N@@H+]1C[C@@H](O)C[C@@H]1c1ccccc1C(F)(F)F ZINC000253395998 571312007 /nfs/dbraw/zinc/31/20/07/571312007.db2.gz JOVYKKPALUIKHC-WMLDXEAASA-N 1 2 353.388 3.791 50 0 FHAALO CC(C)n1nccc1C[N@H+]1C[C@@H](O)C[C@@H]1c1ccccc1C(F)(F)F ZINC000253395998 571312008 /nfs/dbraw/zinc/31/20/08/571312008.db2.gz JOVYKKPALUIKHC-WMLDXEAASA-N 1 2 353.388 3.791 50 0 FHAALO O=C([C@H](c1ccccc1)C1CCCC1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000584892847 571314842 /nfs/dbraw/zinc/31/48/42/571314842.db2.gz JRAYPJBPBPZFRP-JOCHJYFZSA-N 1 2 363.505 3.700 50 0 FHAALO Cn1ncc(C(F)(F)F)c1C[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000585093568 571320340 /nfs/dbraw/zinc/32/03/40/571320340.db2.gz AFTTUZHINZCECG-UHFFFAOYSA-N 1 2 352.385 3.852 50 0 FHAALO O=C([C@H]1C[C@@H]1c1ccccc1)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000027924406 571326515 /nfs/dbraw/zinc/32/65/15/571326515.db2.gz JKHIEEJUWLBWRF-MOPGFXCFSA-N 1 2 354.881 3.788 50 0 FHAALO CCOc1ccc2nc(NC(=O)C[N@@H+]3CCc4ccccc4C3)sc2c1 ZINC000095351685 571328956 /nfs/dbraw/zinc/32/89/56/571328956.db2.gz PKMCUFGPNOBLCU-UHFFFAOYSA-N 1 2 367.474 3.692 50 0 FHAALO CCOc1ccc2nc(NC(=O)C[N@H+]3CCc4ccccc4C3)sc2c1 ZINC000095351685 571328957 /nfs/dbraw/zinc/32/89/57/571328957.db2.gz PKMCUFGPNOBLCU-UHFFFAOYSA-N 1 2 367.474 3.692 50 0 FHAALO O=C(Nc1cccc(C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)c1)c1cccs1 ZINC000095458561 571330092 /nfs/dbraw/zinc/33/00/92/571330092.db2.gz ZGRZQPFKPNJHHR-OAHLLOKOSA-N 1 2 366.446 3.701 50 0 FHAALO Cc1noc(-c2ccccc2)c1C(=O)OCc1ccc(-n2cc[nH+]c2)nc1 ZINC000095941172 571332341 /nfs/dbraw/zinc/33/23/41/571332341.db2.gz YKZXURCZPQTPBH-UHFFFAOYSA-N 1 2 360.373 3.588 50 0 FHAALO O=C(NCc1ccc(Cl)cc1)C1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000021162169 571333334 /nfs/dbraw/zinc/33/33/34/571333334.db2.gz HXXAUNZXCUUOBI-UHFFFAOYSA-N 1 2 368.868 3.749 50 0 FHAALO CCCOc1c(Cl)cc(C[N@@H+]2CCN(C(C)=O)CC2(C)C)cc1OC ZINC000096003632 571333839 /nfs/dbraw/zinc/33/38/39/571333839.db2.gz GAACBVAMBFAVPE-UHFFFAOYSA-N 1 2 368.905 3.580 50 0 FHAALO CCCOc1c(Cl)cc(C[N@H+]2CCN(C(C)=O)CC2(C)C)cc1OC ZINC000096003632 571333840 /nfs/dbraw/zinc/33/38/40/571333840.db2.gz 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O=C(C[N@@H+]1CCc2onc(-c3ccc(F)c(F)c3)c2C1)Nc1ccccc1 ZINC000067433271 205371763 /nfs/dbraw/zinc/37/17/63/205371763.db2.gz FDQLYUXGIRNHHT-UHFFFAOYSA-N 1 2 369.371 3.617 50 0 FHAALO O=C(C[N@H+]1CCc2onc(-c3ccc(F)c(F)c3)c2C1)Nc1ccccc1 ZINC000067433271 205371768 /nfs/dbraw/zinc/37/17/68/205371768.db2.gz FDQLYUXGIRNHHT-UHFFFAOYSA-N 1 2 369.371 3.617 50 0 FHAALO C[N@H+](Cc1cc(-c2cccs2)n[nH]1)Cc1coc2ccccc2c1=O ZINC000067458185 205373702 /nfs/dbraw/zinc/37/37/02/205373702.db2.gz MVWSFLLEGZHJOH-UHFFFAOYSA-N 1 2 351.431 3.877 50 0 FHAALO C[N@@H+](Cc1cc(-c2cccs2)n[nH]1)Cc1coc2ccccc2c1=O ZINC000067458185 205373707 /nfs/dbraw/zinc/37/37/07/205373707.db2.gz MVWSFLLEGZHJOH-UHFFFAOYSA-N 1 2 351.431 3.877 50 0 FHAALO Cc1[nH]c2c(c1CC(=O)NCc1cccnc1-n1cc[nH+]c1)c(C)ccc2C ZINC000067561099 205374478 /nfs/dbraw/zinc/37/44/78/205374478.db2.gz PFOSIHNALAEQTF-UHFFFAOYSA-N 1 2 373.460 3.533 50 0 FHAALO Cc1cccc(C(C)C)c1NC(=O)C[N@@H+]1CCc2[nH]nc(C(C)C)c2C1 ZINC000067654737 205380301 /nfs/dbraw/zinc/38/03/01/205380301.db2.gz SLWTUJYNYWKOCT-UHFFFAOYSA-N 1 2 354.498 3.962 50 0 FHAALO Cc1cccc(C(C)C)c1NC(=O)C[N@H+]1CCc2[nH]nc(C(C)C)c2C1 ZINC000067654737 205380304 /nfs/dbraw/zinc/38/03/04/205380304.db2.gz SLWTUJYNYWKOCT-UHFFFAOYSA-N 1 2 354.498 3.962 50 0 FHAALO CCn1c(CN2CCc3[nH+]c[nH]c3[C@H]2c2cccc(O)c2)nc2ccccc21 ZINC000067688394 205383770 /nfs/dbraw/zinc/38/37/70/205383770.db2.gz JIJNRJVPKZWYFE-JOCHJYFZSA-N 1 2 373.460 3.633 50 0 FHAALO CC(C)n1c(CN2CCc3[nH+]c[nH]c3[C@@H]2c2ccncc2)nc2ccccc21 ZINC000067770114 205388750 /nfs/dbraw/zinc/38/87/50/205388750.db2.gz WUHMGWNOFLVAPQ-QFIPXVFZSA-N 1 2 372.476 3.883 50 0 FHAALO Cc1[nH]c2c(cccc2[C@H]2CC(=O)NCc3[nH+]c4ccc(C)cn4c32)c1C ZINC000067771005 205391539 /nfs/dbraw/zinc/39/15/39/205391539.db2.gz DRWNFJVONRPJJF-QGZVFWFLSA-N 1 2 358.445 3.893 50 0 FHAALO O=C(CCCn1cc[nH+]c1)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000067856183 205398133 /nfs/dbraw/zinc/39/81/33/205398133.db2.gz BJVMMSPCAXRIGS-MRXNPFEDSA-N 1 2 368.264 3.570 50 0 FHAALO c1ccc2nc(Oc3ccc(C[NH+]4CCOCC4)c4cccnc34)cnc2c1 ZINC000067856167 205398176 /nfs/dbraw/zinc/39/81/76/205398176.db2.gz TVJUCBLSEATNTN-UHFFFAOYSA-N 1 2 372.428 3.803 50 0 FHAALO c1coc(CN2CCc3[nH+]c[nH]c3[C@@H]2c2c[nH]nc2C2CCCCC2)c1 ZINC000071714833 205436126 /nfs/dbraw/zinc/43/61/26/205436126.db2.gz DKHGKFBIDLCZJN-FQEVSTJZSA-N 1 2 351.454 3.921 50 0 FHAALO COc1ccc(C2(C(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)CCCC2)cc1 ZINC000075533724 205578761 /nfs/dbraw/zinc/57/87/61/205578761.db2.gz UOFFPIICSOCJFB-INIZCTEOSA-N 1 2 353.466 3.636 50 0 FHAALO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1cccc(Br)c1)C2 ZINC000112664537 206089493 /nfs/dbraw/zinc/08/94/93/206089493.db2.gz AEVYOKQYFUOIFA-UHFFFAOYSA-N 1 2 362.271 3.505 50 0 FHAALO Cc1cccc(OCC(=O)Nc2cccc3ccc(-n4cc[nH+]c4)nc32)c1 ZINC000049416134 206087712 /nfs/dbraw/zinc/08/77/12/206087712.db2.gz STRBIUBEGYNRCS-UHFFFAOYSA-N 1 2 358.401 3.746 50 0 FHAALO Cc1ccc(S(=O)(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c(C)c1 ZINC000007050212 206207455 /nfs/dbraw/zinc/20/74/55/206207455.db2.gz FBKYWJLCGYBHNW-MRXNPFEDSA-N 1 2 355.463 3.529 50 0 FHAALO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@@H+](C)Cc1cccc(F)c1 ZINC000007791492 206209498 /nfs/dbraw/zinc/20/94/98/206209498.db2.gz DFUHXXBCYMLWOV-UHFFFAOYSA-N 1 2 366.440 3.699 50 0 FHAALO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@H+](C)Cc1cccc(F)c1 ZINC000007791492 206209503 /nfs/dbraw/zinc/20/95/03/206209503.db2.gz DFUHXXBCYMLWOV-UHFFFAOYSA-N 1 2 366.440 3.699 50 0 FHAALO CCc1cccc(CC)c1NC(=O)C[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000007639602 206211451 /nfs/dbraw/zinc/21/14/51/206211451.db2.gz PHCQIZBEEZAFBL-UHFFFAOYSA-N 1 2 354.450 3.611 50 0 FHAALO CCc1cccc(CC)c1NC(=O)C[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC000007639602 206211455 /nfs/dbraw/zinc/21/14/55/206211455.db2.gz PHCQIZBEEZAFBL-UHFFFAOYSA-N 1 2 354.450 3.611 50 0 FHAALO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccncc2C(F)(F)F)CC1 ZINC000170614701 206274539 /nfs/dbraw/zinc/27/45/39/206274539.db2.gz HQPLUCOHDLEKPR-GFCCVEGCSA-N 1 2 369.412 3.681 50 0 FHAALO COCC[N@H+](Cc1cnc(-c2ccccc2)s1)Cc1c(C)nn(C)c1C ZINC000215320049 206345929 /nfs/dbraw/zinc/34/59/29/206345929.db2.gz SERWXQCRHGUGQG-UHFFFAOYSA-N 1 2 370.522 3.809 50 0 FHAALO COCC[N@@H+](Cc1cnc(-c2ccccc2)s1)Cc1c(C)nn(C)c1C ZINC000215320049 206345934 /nfs/dbraw/zinc/34/59/34/206345934.db2.gz SERWXQCRHGUGQG-UHFFFAOYSA-N 1 2 370.522 3.809 50 0 FHAALO Cc1cc(C)n2ncc(C[N@H+]3CCC[C@H]3c3nc4ccccc4n3C)c2n1 ZINC000215540431 206347292 /nfs/dbraw/zinc/34/72/92/206347292.db2.gz OYFNURDDJKYFJF-IBGZPJMESA-N 1 2 360.465 3.570 50 0 FHAALO Cc1cc(C)n2ncc(C[N@@H+]3CCC[C@H]3c3nc4ccccc4n3C)c2n1 ZINC000215540431 206347297 /nfs/dbraw/zinc/34/72/97/206347297.db2.gz OYFNURDDJKYFJF-IBGZPJMESA-N 1 2 360.465 3.570 50 0 FHAALO Cc1nc(CN2CC[NH+](Cc3ccc([C@H]4CCCO4)s3)CC2)cs1 ZINC000215756778 206350260 /nfs/dbraw/zinc/35/02/60/206350260.db2.gz XZWSHMLGZOGTJB-QGZVFWFLSA-N 1 2 363.552 3.682 50 0 FHAALO O=C(CCc1c[nH]c2ccccc12)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000218852432 206374458 /nfs/dbraw/zinc/37/44/58/206374458.db2.gz GEHUCXAWYOKTSC-OAQYLSRUSA-N 1 2 358.445 3.855 50 0 FHAALO CCN1CC[NH+]([C@@H](c2cccs2)[C@@H](C)NC(=O)c2cccc(C)c2)CC1 ZINC000022460070 206378541 /nfs/dbraw/zinc/37/85/41/206378541.db2.gz BNNOXCNTTHVEHA-YLJYHZDGSA-N 1 2 371.550 3.554 50 0 FHAALO O=C(c1cccc(-c2ccccc2)c1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000219291110 206380925 /nfs/dbraw/zinc/38/09/25/206380925.db2.gz FYLBBHRFOPKGAL-JOCHJYFZSA-N 1 2 364.489 3.681 50 0 FHAALO CCc1nc2n(n1)C(=O)C([C@H](c1ccc(OC)cc1)[NH+]1CCCCC1)S2 ZINC000022853116 206393095 /nfs/dbraw/zinc/39/30/95/206393095.db2.gz AXZMVBHKRQZPQN-INIZCTEOSA-N 1 2 372.494 3.643 50 0 FHAALO CCOc1ccc([C@@H](C2Sc3nc(CC)nn3C2=O)[NH+]2CCCC2)cc1 ZINC000022852997 206393436 /nfs/dbraw/zinc/39/34/36/206393436.db2.gz PXENRKVJMAYZHY-INIZCTEOSA-N 1 2 372.494 3.643 50 0 FHAALO CCc1nc2n(n1)C(=O)C([C@H](c1ccc(F)cc1)[NH+]1CCCCC1)S2 ZINC000022853061 206394252 /nfs/dbraw/zinc/39/42/52/206394252.db2.gz XSLVDBDCLQMSHJ-HNNXBMFYSA-N 1 2 360.458 3.773 50 0 FHAALO CC(=O)N1CCN(c2ccc(-n3cc[nH+]c3-c3ccc(C)c(C)c3)cc2)CC1 ZINC000077470029 132186139 /nfs/dbraw/zinc/18/61/39/132186139.db2.gz ZJXFLMYESPACFG-UHFFFAOYSA-N 1 2 374.488 3.825 50 0 FHAALO Cc1cc(NC(=O)c2ccc3c(c2)OCO3)c[nH+]c1N1CCCC[C@H]1C ZINC000095468406 132211509 /nfs/dbraw/zinc/21/15/09/132211509.db2.gz GRCPEPIKRYOBLV-CQSZACIVSA-N 1 2 353.422 3.750 50 0 FHAALO Cc1cc(NC(=O)c2ccc3c(c2)OCO3)c[nH+]c1N1CCCC[C@@H]1C ZINC000095468405 132211531 /nfs/dbraw/zinc/21/15/31/132211531.db2.gz GRCPEPIKRYOBLV-AWEZNQCLSA-N 1 2 353.422 3.750 50 0 FHAALO Cc1cnc([C@@H]2CCCN(c3cc(C)[nH+]c(-c4ccncc4)n3)C2)s1 ZINC000225391359 132284278 /nfs/dbraw/zinc/28/42/78/132284278.db2.gz RTXBMFLPZXJCBA-MRXNPFEDSA-N 1 2 351.479 3.996 50 0 FHAALO O=c1cc(C[NH+]2CCN(c3ccccc3)CC2)c2cc(Cl)ccc2o1 ZINC000054147546 132376282 /nfs/dbraw/zinc/37/62/82/132376282.db2.gz XTZJJAZTJYAANR-UHFFFAOYSA-N 1 2 354.837 3.769 50 0 FHAALO Cc1ccc(Cl)cc1N1CC[NH+](CC(=O)c2ccc3c(c2)CCN3)CC1 ZINC000036092337 132938367 /nfs/dbraw/zinc/93/83/67/132938367.db2.gz SZNPGOHRFSJTPB-UHFFFAOYSA-N 1 2 369.896 3.621 50 0 FHAALO Cc1nc(C[NH2+]Cc2ccc(N3CCc4ccccc4C3)nc2)cs1 ZINC000048744328 136123718 /nfs/dbraw/zinc/12/37/18/136123718.db2.gz HJVURPIKWQXLTR-UHFFFAOYSA-N 1 2 350.491 3.699 50 0 FHAALO COc1cccc(N2CC[NH+](Cc3cc(Br)cs3)CC2)c1 ZINC000055291962 136126328 /nfs/dbraw/zinc/12/63/28/136126328.db2.gz PQMRYBKWZYQGNR-UHFFFAOYSA-N 1 2 367.312 3.841 50 0 FHAALO Cc1cc(C)c(NC(=O)[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)c(C)c1 ZINC000057024228 136128193 /nfs/dbraw/zinc/12/81/93/136128193.db2.gz UTEPNNRQBPFYBK-LJQANCHMSA-N 1 2 351.494 3.761 50 0 FHAALO Oc1ccccc1N1CC[NH+](Cc2ncc(-c3ccc(F)cc3)o2)CC1 ZINC000057442428 136129329 /nfs/dbraw/zinc/12/93/29/136129329.db2.gz DOONEFVLLWJGLE-UHFFFAOYSA-N 1 2 353.397 3.509 50 0 FHAALO c1ccc2c(c1)CCN(c1[nH+]cccc1CNc1cc(C3CC3)ncn1)C2 ZINC000067677658 136137490 /nfs/dbraw/zinc/13/74/90/136137490.db2.gz APIMHGAJKINBTC-UHFFFAOYSA-N 1 2 357.461 3.924 50 0 FHAALO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc(F)cc2F)cc1F ZINC000009114600 263359436 /nfs/dbraw/zinc/35/94/36/263359436.db2.gz VWEYXQQVEHBUQT-NSHDSACASA-N 1 2 352.356 3.572 50 0 FHAALO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(F)cc2F)cc1F ZINC000009114600 263359437 /nfs/dbraw/zinc/35/94/37/263359437.db2.gz VWEYXQQVEHBUQT-NSHDSACASA-N 1 2 352.356 3.572 50 0 FHAALO CCOc1cccc(C(=O)N2CCC[C@@H](c3[nH+]ccn3CC3CC3)C2)c1 ZINC000082083271 521318713 /nfs/dbraw/zinc/31/87/13/521318713.db2.gz YPLHRSBJLZLPEC-GOSISDBHSA-N 1 2 353.466 3.712 50 0 FHAALO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)CCC(=O)c1ccccc1 ZINC000081087738 523597989 /nfs/dbraw/zinc/59/79/89/523597989.db2.gz OCHSFNIFDPCJKP-UHFFFAOYSA-N 1 2 361.445 3.553 50 0 FHAALO COc1ccc(C(=O)N2CCC[C@H](c3[nH+]ccn3Cc3ccccc3)C2)o1 ZINC000082157203 523641977 /nfs/dbraw/zinc/64/19/77/523641977.db2.gz HQEFWEDFUSFISJ-KRWDZBQOSA-N 1 2 365.433 3.553 50 0 FHAALO Cc1cccc(C)c1NC(=O)CN1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000020418128 524274844 /nfs/dbraw/zinc/27/48/44/524274844.db2.gz ZESRQJHXFPGYBD-UHFFFAOYSA-N 1 2 371.912 3.713 50 0 FHAALO COc1ccccc1CCC(=O)N1CCC(c2[nH+]ccn2CC2CC2)CC1 ZINC000082134543 524392419 /nfs/dbraw/zinc/39/24/19/524392419.db2.gz FSWGXNXUNXRNAD-UHFFFAOYSA-N 1 2 367.493 3.641 50 0 FHAALO Cc1cn2cc(C(=O)N3CCC[C@@H](COc4cccc(C)c4)C3)ccc2[nH+]1 ZINC000082126105 525944899 /nfs/dbraw/zinc/94/48/99/525944899.db2.gz JJGDUBNBSMTOMP-GOSISDBHSA-N 1 2 363.461 3.882 50 0 FHAALO Cc1ccc2[nH+]c(CSCC(=O)N3CCCOc4ccccc43)cn2c1 ZINC000089668956 526249992 /nfs/dbraw/zinc/24/99/92/526249992.db2.gz GTZZEQDYXNSTAV-UHFFFAOYSA-N 1 2 367.474 3.692 50 0 FHAALO O=C(CCC(F)(F)F)N1CCC[C@H](c2[nH+]ccn2Cc2ccccc2)C1 ZINC000082145757 526390768 /nfs/dbraw/zinc/39/07/68/526390768.db2.gz SUOWVFXQYBLPIV-INIZCTEOSA-N 1 2 365.399 3.980 50 0 FHAALO O=C(c1ccc(Cn2cc[nH+]c2)o1)N1CCC(Cc2ccccc2F)CC1 ZINC000091505413 526684940 /nfs/dbraw/zinc/68/49/40/526684940.db2.gz IVFSMZTUBMAKPE-UHFFFAOYSA-N 1 2 367.424 3.758 50 0 FHAALO CCc1ccccc1NC(=O)C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000055058986 535948872 /nfs/dbraw/zinc/94/88/72/535948872.db2.gz YCMPBLTVYLZOLX-UHFFFAOYSA-N 1 2 357.885 3.663 50 0 FHAALO CC[N@H+](CC(=O)NCc1ccccc1)Cc1ccc(Br)s1 ZINC000020814727 568428865 /nfs/dbraw/zinc/42/88/65/568428865.db2.gz IWPOBCZESCGARG-UHFFFAOYSA-N 1 2 367.312 3.649 50 0 FHAALO CC[N@@H+](CC(=O)NCc1ccccc1)Cc1ccc(Br)s1 ZINC000020814727 568428866 /nfs/dbraw/zinc/42/88/66/568428866.db2.gz IWPOBCZESCGARG-UHFFFAOYSA-N 1 2 367.312 3.649 50 0 FHAALO Cc1ccc2nc(SCCC(=O)NC[C@H](C)n3cc[nH+]c3)cc(C)c2c1 ZINC000222744717 568559098 /nfs/dbraw/zinc/55/90/98/568559098.db2.gz BXTIMKBXNBUBJI-INIZCTEOSA-N 1 2 368.506 3.908 50 0 FHAALO Cc1cc(C(=O)N2CCC[C@H](c3[nH+]ccn3Cc3ccncc3)C2)c(C)o1 ZINC000091950870 570443548 /nfs/dbraw/zinc/44/35/48/570443548.db2.gz JRIKTRKUDOYPNZ-SFHVURJKSA-N 1 2 364.449 3.556 50 0 FHAALO Cn1cc[nH+]c1C1CCN(C(=O)C[C@@H](c2ccco2)c2ccccc2)CC1 ZINC000091966518 570444078 /nfs/dbraw/zinc/44/40/78/570444078.db2.gz IXPIFUSMMTYWNK-LJQANCHMSA-N 1 2 363.461 3.941 50 0 FHAALO O=C(NCC1CCC(c2nc3ccccc3[nH]2)CC1)c1ccc2[nH+]ccn2c1 ZINC000092028020 570445097 /nfs/dbraw/zinc/44/50/97/570445097.db2.gz UDSVENFUXVUALQ-UHFFFAOYSA-N 1 2 373.460 3.914 50 0 FHAALO CCc1[nH+]c2ccccc2n1[C@@H](CC)C(=O)N(C)Cc1cccc(O)c1 ZINC000095358379 570453394 /nfs/dbraw/zinc/45/33/94/570453394.db2.gz WPUOCIKRUUANRN-SFHVURJKSA-N 1 2 351.450 3.914 50 0 FHAALO CCCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc(N(C)C)cc2)C1 ZINC000095375967 570457826 /nfs/dbraw/zinc/45/78/26/570457826.db2.gz HNAAIPZHKVNJCN-GOSISDBHSA-N 1 2 354.498 3.769 50 0 FHAALO CCOC(=O)c1c(NC(=O)C[NH+]2CCCCC2)sc2c1CCCCC2 ZINC000000837701 570459891 /nfs/dbraw/zinc/45/98/91/570459891.db2.gz UQSHWRIEPIPSNH-UHFFFAOYSA-N 1 2 364.511 3.618 50 0 FHAALO Cc1nc(C)c(CC(=O)N2CCC(c3[nH+]ccn3CC3CCC3)CC2)s1 ZINC000095498824 570462418 /nfs/dbraw/zinc/46/24/18/570462418.db2.gz FLHHNWSENYMFLU-UHFFFAOYSA-N 1 2 372.538 3.705 50 0 FHAALO CC(C)c1cc(C(=O)N2CCC(c3[nH+]ccn3CC3CCC3)CC2)no1 ZINC000095506312 570464342 /nfs/dbraw/zinc/46/43/42/570464342.db2.gz LDSXTDXAPIWQLY-UHFFFAOYSA-N 1 2 356.470 3.814 50 0 FHAALO CCn1cc[nH+]c1[C@H]1CCCN(C(=O)Cc2ccccc2C(F)(F)F)C1 ZINC000095512531 570465945 /nfs/dbraw/zinc/46/59/45/570465945.db2.gz ICKYAGNUYKCCDP-HNNXBMFYSA-N 1 2 365.399 3.871 50 0 FHAALO O=C(Cn1cc[nH+]c1-c1ccccc1)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000095515350 570466499 /nfs/dbraw/zinc/46/64/99/570466499.db2.gz PGHAOQOPDURVBL-UHFFFAOYSA-N 1 2 374.419 3.755 50 0 FHAALO Cc1ccc(C)c(C(=O)N2CCC[C@@H](c3[nH+]ccn3Cc3ccncc3)C2)c1 ZINC000095522914 570467764 /nfs/dbraw/zinc/46/77/64/570467764.db2.gz YJTGRDBGKTUXBS-HXUWFJFHSA-N 1 2 374.488 3.963 50 0 FHAALO CCn1cc[nH+]c1C1CCN(C(=O)c2[nH]c(-c3ccccc3)nc2C)CC1 ZINC000095523806 570468027 /nfs/dbraw/zinc/46/80/27/570468027.db2.gz UMUTVRPOJBJIQJ-UHFFFAOYSA-N 1 2 363.465 3.621 50 0 FHAALO Cc1ccc(C(=O)N2CCC[C@H](c3[nH+]ccn3Cc3cscn3)C2)s1 ZINC000095527838 570469562 /nfs/dbraw/zinc/46/95/62/570469562.db2.gz SDWDHIYMBBMXCG-AWEZNQCLSA-N 1 2 372.519 3.778 50 0 FHAALO O=C(NCCc1cn2ccccc2[nH+]1)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000011534427 570470905 /nfs/dbraw/zinc/47/09/05/570470905.db2.gz MXSJEUBBGLVGBT-UHFFFAOYSA-N 1 2 358.445 3.667 50 0 FHAALO Clc1ccc2[nH]c(CCNc3nccc(-c4ccncc4)n3)[nH+]c2c1 ZINC000096136508 570476277 /nfs/dbraw/zinc/47/62/77/570476277.db2.gz QZGLPCAGXMOJKH-UHFFFAOYSA-N 1 2 350.813 3.723 50 0 FHAALO CC(C)(C)n1nc(C2CCOCC2)nc1Cn1cc[nH+]c1-c1ccccc1 ZINC000096138432 570476720 /nfs/dbraw/zinc/47/67/20/570476720.db2.gz WQCGLFWHLXNKAL-UHFFFAOYSA-N 1 2 365.481 3.839 50 0 FHAALO Cn1cc[nH+]c1CN(C(=O)Nc1ccc(OCc2ccco2)cc1)C1CC1 ZINC000096152318 570477522 /nfs/dbraw/zinc/47/75/22/570477522.db2.gz IRLOZHDZLOXXKK-UHFFFAOYSA-N 1 2 366.421 3.789 50 0 FHAALO O=C(Nc1ccc(-c2cscn2)cc1)N1CCC[C@H](Cn2cc[nH+]c2)C1 ZINC000096167230 570478587 /nfs/dbraw/zinc/47/85/87/570478587.db2.gz OZPYFKQDYJGMCD-OAHLLOKOSA-N 1 2 367.478 3.951 50 0 FHAALO O=C(Nc1ccc(-c2cscn2)cc1)N1CCC[C@@H](Cn2cc[nH+]c2)C1 ZINC000096167231 570478662 /nfs/dbraw/zinc/47/86/62/570478662.db2.gz OZPYFKQDYJGMCD-HNNXBMFYSA-N 1 2 367.478 3.951 50 0 FHAALO CS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cccc(Oc3ccccc3)c2)C1 ZINC000097425348 570487572 /nfs/dbraw/zinc/48/75/72/570487572.db2.gz WFVJBRBZKRBXNS-GOSISDBHSA-N 1 2 359.491 3.736 50 0 FHAALO CS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2cccc(Oc3ccccc3)c2)C1 ZINC000097425348 570487576 /nfs/dbraw/zinc/48/75/76/570487576.db2.gz WFVJBRBZKRBXNS-GOSISDBHSA-N 1 2 359.491 3.736 50 0 FHAALO Oc1c([C@@H](c2ccccc2)[NH+]2CCCC2)sc2nc(-c3ccco3)nn12 ZINC000023666846 570542978 /nfs/dbraw/zinc/54/29/78/570542978.db2.gz OYGQMGFDJXZFHQ-OAHLLOKOSA-N 1 2 366.446 3.942 50 0 FHAALO C[C@@H]1CCc2sc3ncnc(N4CCN(c5cccc[nH+]5)CC4)c3c2C1 ZINC000004289978 570583610 /nfs/dbraw/zinc/58/36/10/570583610.db2.gz NQQNCKPVJCXPHP-CQSZACIVSA-N 1 2 365.506 3.538 50 0 FHAALO O=C(c1ccc(OCc2ccccc2)cc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000004843258 570610392 /nfs/dbraw/zinc/61/03/92/570610392.db2.gz LCXDIGRDDFRBMD-UHFFFAOYSA-N 1 2 373.456 3.623 50 0 FHAALO C[C@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCC(F)(c2ccccn2)CC1 ZINC000329640658 570618878 /nfs/dbraw/zinc/61/88/78/570618878.db2.gz ZKJKGFOMRYDGAY-CQSZACIVSA-N 1 2 352.413 3.752 50 0 FHAALO CC1(C)Cc2cccc(NC(=O)NCc3cc[nH+]c(N4CCCC4)c3)c2O1 ZINC000252488900 570622520 /nfs/dbraw/zinc/62/25/20/570622520.db2.gz JBIVKXISWRFLAH-UHFFFAOYSA-N 1 2 366.465 3.717 50 0 FHAALO O=C(Nc1cc(Cl)cc(Cl)c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000006726124 570653079 /nfs/dbraw/zinc/65/30/79/570653079.db2.gz FJKXBJGZIIBPFI-UHFFFAOYSA-N 1 2 351.237 3.743 50 0 FHAALO OC[C@]1(CCc2ccccc2)CCC[N@H+](Cc2nc3ccc(F)cc3[nH]2)C1 ZINC000011935322 570711778 /nfs/dbraw/zinc/71/17/78/570711778.db2.gz JQWXZDGLSYUITM-QFIPXVFZSA-N 1 2 367.468 3.909 50 0 FHAALO OC[C@]1(CCc2ccccc2)CCC[N@@H+](Cc2nc3ccc(F)cc3[nH]2)C1 ZINC000011935322 570711780 /nfs/dbraw/zinc/71/17/80/570711780.db2.gz JQWXZDGLSYUITM-QFIPXVFZSA-N 1 2 367.468 3.909 50 0 FHAALO CCc1noc([C@H](C)[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)n1 ZINC000012633934 570755089 /nfs/dbraw/zinc/75/50/89/570755089.db2.gz JBMDOSHYFURJFN-LBPRGKRZSA-N 1 2 354.376 3.534 50 0 FHAALO CCCCCOc1ccc(C(=O)N2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000032623997 570759540 /nfs/dbraw/zinc/75/95/40/570759540.db2.gz ABLXXICEBDQNAE-UHFFFAOYSA-N 1 2 367.493 3.609 50 0 FHAALO C[N@H+](Cc1ccc(Cl)s1)[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000012849885 570765750 /nfs/dbraw/zinc/76/57/50/570765750.db2.gz GFXTZKNTTJXMRV-INIZCTEOSA-N 1 2 352.862 3.992 50 0 FHAALO C[N@@H+](Cc1ccc(Cl)s1)[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000012849885 570765754 /nfs/dbraw/zinc/76/57/54/570765754.db2.gz GFXTZKNTTJXMRV-INIZCTEOSA-N 1 2 352.862 3.992 50 0 FHAALO C[C@H](NC(=O)[C@H]1Cc2cc(Cl)ccc2O1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000018048785 570806978 /nfs/dbraw/zinc/80/69/78/570806978.db2.gz JPGAMBDDWMXFDL-ORAYPTAESA-N 1 2 367.836 3.707 50 0 FHAALO Cc1sc2nc(-c3cccs3)nc(NCC[NH+]3CCOCC3)c2c1C ZINC000014128934 570807666 /nfs/dbraw/zinc/80/76/66/570807666.db2.gz SNABWVWVVUUOSA-UHFFFAOYSA-N 1 2 374.535 3.781 50 0 FHAALO COc1ccc(OCc2noc(C[NH2+][C@@H](c3ccccc3)C3CC3)n2)cc1 ZINC000032868835 570824504 /nfs/dbraw/zinc/82/45/04/570824504.db2.gz NHGPKGKWDSOAQE-NRFANRHFSA-N 1 2 365.433 3.898 50 0 FHAALO Cc1cccc2nc(C(=O)Nc3ccc4c(c3)[nH+]c3n4CCCCC3)cn21 ZINC000014910343 570826342 /nfs/dbraw/zinc/82/63/42/570826342.db2.gz ZYKFZMDSPCYYNE-UHFFFAOYSA-N 1 2 359.433 3.971 50 0 FHAALO Cn1cc(C[N@@H+]2CCOc3ccc(C4=Cc5ccccc5C4)cc3C2)cn1 ZINC000014966286 570827403 /nfs/dbraw/zinc/82/74/03/570827403.db2.gz OFQJOOLZMCPAEI-UHFFFAOYSA-N 1 2 357.457 3.911 50 0 FHAALO Cn1cc(C[N@H+]2CCOc3ccc(C4=Cc5ccccc5C4)cc3C2)cn1 ZINC000014966286 570827404 /nfs/dbraw/zinc/82/74/04/570827404.db2.gz OFQJOOLZMCPAEI-UHFFFAOYSA-N 1 2 357.457 3.911 50 0 FHAALO CCCc1cc([C@H]2CCC[N@@H+]2Cc2ccc(OC)c(OC)c2OC)no1 ZINC000015866888 570847043 /nfs/dbraw/zinc/84/70/43/570847043.db2.gz HANJTUAWPQLJCN-QGZVFWFLSA-N 1 2 360.454 3.990 50 0 FHAALO CCCc1cc([C@H]2CCC[N@H+]2Cc2ccc(OC)c(OC)c2OC)no1 ZINC000015866888 570847047 /nfs/dbraw/zinc/84/70/47/570847047.db2.gz HANJTUAWPQLJCN-QGZVFWFLSA-N 1 2 360.454 3.990 50 0 FHAALO Cc1ccc(C[NH+]2CCN(C(=O)c3cccc(Br)c3)CC2)cc1 ZINC000016605183 570858527 /nfs/dbraw/zinc/85/85/27/570858527.db2.gz KMKXGROFOOAKMB-UHFFFAOYSA-N 1 2 373.294 3.716 50 0 FHAALO COc1ccccc1[C@@H](Nc1nnc(C)c2ccccc12)c1[nH+]ccn1C ZINC000024586217 570870060 /nfs/dbraw/zinc/87/00/60/570870060.db2.gz INDVWEDNYPEXON-LJQANCHMSA-N 1 2 359.433 3.882 50 0 FHAALO Cc1[nH]c2cc(C)ccc2c1C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000019372538 570887881 /nfs/dbraw/zinc/88/78/81/570887881.db2.gz NDKFHKBXDWZSOC-UHFFFAOYSA-N 1 2 361.489 3.785 50 0 FHAALO O=c1c(CN2CC[NH+](C/C=C/c3ccccc3)CC2)coc2ccccc21 ZINC000019536346 570892002 /nfs/dbraw/zinc/89/20/02/570892002.db2.gz XPZAXCXESFVXCH-RMKNXTFCSA-N 1 2 360.457 3.624 50 0 FHAALO O=c1c(C[NH+]2CCN(C/C=C/c3ccccc3)CC2)coc2ccccc21 ZINC000019536346 570892006 /nfs/dbraw/zinc/89/20/06/570892006.db2.gz XPZAXCXESFVXCH-RMKNXTFCSA-N 1 2 360.457 3.624 50 0 FHAALO CC(=O)Nc1ccc(C[N@@H+]2CCO[C@H](Cc3ccccc3Cl)C2)cc1 ZINC000019792291 570903370 /nfs/dbraw/zinc/90/33/70/570903370.db2.gz GTGMRMCAJFVEAV-LJQANCHMSA-N 1 2 358.869 3.742 50 0 FHAALO CC(=O)Nc1ccc(C[N@H+]2CCO[C@H](Cc3ccccc3Cl)C2)cc1 ZINC000019792291 570903372 /nfs/dbraw/zinc/90/33/72/570903372.db2.gz GTGMRMCAJFVEAV-LJQANCHMSA-N 1 2 358.869 3.742 50 0 FHAALO Cc1ccc(-n2c3c(c(=O)[nH]c2=S)C[N@@H+](CC2CCCC2)CN3)cc1 ZINC000020394325 570914934 /nfs/dbraw/zinc/91/49/34/570914934.db2.gz AFIUVBQBPGERES-UHFFFAOYSA-N 1 2 356.495 3.579 50 0 FHAALO Cc1ccc(-n2c3c(c(=O)[nH]c2=S)C[N@H+](CC2CCCC2)CN3)cc1 ZINC000020394325 570914936 /nfs/dbraw/zinc/91/49/36/570914936.db2.gz AFIUVBQBPGERES-UHFFFAOYSA-N 1 2 356.495 3.579 50 0 FHAALO Cc1ccc(S(=O)(=O)N2C[C@H]3c4ccccc4CC[N@@H+]3[C@@H]2C(C)C)cc1 ZINC000020494202 570918644 /nfs/dbraw/zinc/91/86/44/570918644.db2.gz MHMRVWRMLNTTDY-SFTDATJTSA-N 1 2 370.518 3.581 50 0 FHAALO Cc1ccc(S(=O)(=O)N2C[C@H]3c4ccccc4CC[N@H+]3[C@@H]2C(C)C)cc1 ZINC000020494202 570918646 /nfs/dbraw/zinc/91/86/46/570918646.db2.gz MHMRVWRMLNTTDY-SFTDATJTSA-N 1 2 370.518 3.581 50 0 FHAALO CN1CC[NH+](Cc2ccc(C(=O)c3ccc(C(F)(F)F)cc3)cc2)CC1 ZINC000022027936 570937784 /nfs/dbraw/zinc/93/77/84/570937784.db2.gz VOQJSIBEKQISJJ-UHFFFAOYSA-N 1 2 362.395 3.684 50 0 FHAALO Cc1ccc(C(C)C)cc1OCC(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000023606653 570945642 /nfs/dbraw/zinc/94/56/42/570945642.db2.gz QTJCMTQQCRBRFG-UHFFFAOYSA-N 1 2 359.495 3.580 50 0 FHAALO Cc1ccc(C(C)C)cc1OCC(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000023606653 570945645 /nfs/dbraw/zinc/94/56/45/570945645.db2.gz QTJCMTQQCRBRFG-UHFFFAOYSA-N 1 2 359.495 3.580 50 0 FHAALO O=C(Cn1cc[nH+]c1-c1ccccc1)Nc1nn(CC2CC2)c2ccccc21 ZINC000023153630 570957977 /nfs/dbraw/zinc/95/79/77/570957977.db2.gz YWINQQFBBXKZAM-UHFFFAOYSA-N 1 2 371.444 3.949 50 0 FHAALO O=C(c1ccccn1)N1CC[NH+](Cc2sc3ccccc3c2Cl)CC1 ZINC000023865688 570968246 /nfs/dbraw/zinc/96/82/46/570968246.db2.gz WHPPVSIBOKTYOC-UHFFFAOYSA-N 1 2 371.893 3.908 50 0 FHAALO C[C@H]([NH2+]Cc1nc(=O)c2c3c(sc2[nH]1)CCC3)c1ccc(F)cc1F ZINC000023990262 570969847 /nfs/dbraw/zinc/96/98/47/570969847.db2.gz NRVJOEMLOJXNHW-VIFPVBQESA-N 1 2 361.417 3.602 50 0 FHAALO Cc1cccc(OCCNC(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000024748595 570981000 /nfs/dbraw/zinc/98/10/00/570981000.db2.gz OJVULHJXPJPHOH-KRWDZBQOSA-N 1 2 364.449 3.620 50 0 FHAALO COc1cccc([C@@H](NC(=O)N[C@@H](C)c2ccccc2)c2[nH+]ccn2C)c1 ZINC000029328256 571038816 /nfs/dbraw/zinc/03/88/16/571038816.db2.gz SKYNUHCOTXVYFC-HNAYVOBHSA-N 1 2 364.449 3.579 50 0 FHAALO COc1ccccc1NC(=O)C1CC[NH+]([C@H](C)c2nc(C(C)C)no2)CC1 ZINC000029911470 571044567 /nfs/dbraw/zinc/04/45/67/571044567.db2.gz XZAKGHMCVPIEGC-CQSZACIVSA-N 1 2 372.469 3.613 50 0 FHAALO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1cc2cc(Cl)ccc2[nH]1 ZINC000030216744 571046405 /nfs/dbraw/zinc/04/64/05/571046405.db2.gz LLXORNUVUDAXOE-UHFFFAOYSA-N 1 2 364.836 3.996 50 0 FHAALO CCOc1cc(C[NH+]2CCN(C/C=C/c3ccccc3)CC2)ccc1OC ZINC000019805711 571070535 /nfs/dbraw/zinc/07/05/35/571070535.db2.gz CBKWQKYYWFKNFT-JXMROGBWSA-N 1 2 366.505 3.925 50 0 FHAALO Cc1cc(C(=O)C[NH+]2CCN(c3cc(Cl)ccc3C)CC2)c(C)n1C ZINC000034802313 571074604 /nfs/dbraw/zinc/07/46/04/571074604.db2.gz CXHDGCULFUNYHI-UHFFFAOYSA-N 1 2 359.901 3.609 50 0 FHAALO CC(C)(C)OC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ncc(C(C)(C)C)o1 ZINC000060269222 571081921 /nfs/dbraw/zinc/08/19/21/571081921.db2.gz YNKALABSQCPVTN-CQSZACIVSA-N 1 2 351.491 3.851 50 0 FHAALO CC(C)(C)OC(=O)NC[C@H]1CCCC[N@H+]1Cc1ncc(C(C)(C)C)o1 ZINC000060269222 571081924 /nfs/dbraw/zinc/08/19/24/571081924.db2.gz YNKALABSQCPVTN-CQSZACIVSA-N 1 2 351.491 3.851 50 0 FHAALO O=C(NCc1ccccc1-n1cc[nH+]c1)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000084504756 571087404 /nfs/dbraw/zinc/08/74/04/571087404.db2.gz LFNMTNLGFXSFNG-ROUUACIJSA-N 1 2 351.837 3.946 50 0 FHAALO O=C(c1cc(Br)cs1)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC000245039139 571091909 /nfs/dbraw/zinc/09/19/09/571091909.db2.gz OHFMLUULAPDGEC-UHFFFAOYSA-N 1 2 367.268 3.589 50 0 FHAALO Cc1nc(NCCCc2nc3ccccc3s2)cc([C@H]2C[C@@H](O)C2)[nH+]1 ZINC000244716029 571114963 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Cc1nc2ccc(C(=O)N[C@H]3CC[N@H+](C)[C@@H]3c3ccc(F)c(F)c3)cc2o1 ZINC000332948803 571122195 /nfs/dbraw/zinc/12/21/95/571122195.db2.gz RUDPZZGRJUTVEV-PKOBYXMFSA-N 1 2 371.387 3.590 50 0 FHAALO CCC(=O)c1ccc(OCC(=O)Nc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000025182772 571140716 /nfs/dbraw/zinc/14/07/16/571140716.db2.gz KBQGKGNJYZKIFT-UHFFFAOYSA-N 1 2 363.417 3.542 50 0 FHAALO COc1ccc(OC)c([C@@H](C)NC(=O)C[N@@H+]2CCc3sccc3[C@@H]2C)c1 ZINC000012912863 571144169 /nfs/dbraw/zinc/14/41/69/571144169.db2.gz ICFAJLMCRGTFSB-KGLIPLIRSA-N 1 2 374.506 3.562 50 0 FHAALO COc1ccc(OC)c([C@@H](C)NC(=O)C[N@H+]2CCc3sccc3[C@@H]2C)c1 ZINC000012912863 571144171 /nfs/dbraw/zinc/14/41/71/571144171.db2.gz ICFAJLMCRGTFSB-KGLIPLIRSA-N 1 2 374.506 3.562 50 0 FHAALO Cc1ccc(-c2cc(O)c3c(c2)C[N@@H+](Cc2cccnc2N)CCO3)s1 ZINC000067947759 571152154 /nfs/dbraw/zinc/15/21/54/571152154.db2.gz MRLIDTXQLVNTGQ-UHFFFAOYSA-N 1 2 367.474 3.801 50 0 FHAALO Cc1ccc(-c2cc(O)c3c(c2)C[N@H+](Cc2cccnc2N)CCO3)s1 ZINC000067947759 571152156 /nfs/dbraw/zinc/15/21/56/571152156.db2.gz MRLIDTXQLVNTGQ-UHFFFAOYSA-N 1 2 367.474 3.801 50 0 FHAALO O=C(c1ccc(Br)cc1)N1CCC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000575606290 571163711 /nfs/dbraw/zinc/16/37/11/571163711.db2.gz NOZFERYAEXEXFN-MRXNPFEDSA-N 1 2 361.239 3.528 50 0 FHAALO O=C(c1ccc(OC(F)(F)F)cc1)N1CCC[C@H](Oc2cc[nH+]cc2)C1 ZINC000575611957 571165198 /nfs/dbraw/zinc/16/51/98/571165198.db2.gz HKDTZSIWELSFIE-INIZCTEOSA-N 1 2 366.339 3.664 50 0 FHAALO COc1ccc2oc(C(=O)N3CCC[C@H](Oc4cc[nH+]cc4)C3)cc2c1 ZINC000575614274 571165905 /nfs/dbraw/zinc/16/59/05/571165905.db2.gz YDXUOTKBFOMRCK-KRWDZBQOSA-N 1 2 352.390 3.520 50 0 FHAALO CCn1c2ccccc2[nH+]c1CCc1ccc(NC(=O)c2ccnn2C)cc1 ZINC000033252630 571168697 /nfs/dbraw/zinc/16/86/97/571168697.db2.gz JCQILTOVLXFJQA-UHFFFAOYSA-N 1 2 373.460 3.827 50 0 FHAALO Clc1ccc(C[NH+]2CCN(c3ccc(C4CC4)nn3)CC2)cc1Cl ZINC000575618399 571171055 /nfs/dbraw/zinc/17/10/55/571171055.db2.gz BEOXEPUXJFBNMJ-UHFFFAOYSA-N 1 2 363.292 3.983 50 0 FHAALO C[N@H+](Cc1ccc([C@@H]2CCCO2)s1)Cc1nc(-c2cccnc2)no1 ZINC000072132917 571171200 /nfs/dbraw/zinc/17/12/00/571171200.db2.gz PJZDCKJAXLSDEH-HNNXBMFYSA-N 1 2 356.451 3.677 50 0 FHAALO C[N@@H+](Cc1ccc([C@@H]2CCCO2)s1)Cc1nc(-c2cccnc2)no1 ZINC000072132917 571171201 /nfs/dbraw/zinc/17/12/01/571171201.db2.gz PJZDCKJAXLSDEH-HNNXBMFYSA-N 1 2 356.451 3.677 50 0 FHAALO Cn1cc[nH+]c1[C@H](NC(=O)c1ccccc1OC(F)F)c1ccccc1 ZINC000012531921 571175212 /nfs/dbraw/zinc/17/52/12/571175212.db2.gz KPEFFXNVCUVROH-MRXNPFEDSA-N 1 2 357.360 3.541 50 0 FHAALO CCCNc1ncc(C[N@@H+]2CCC[C@H]2c2nc(-c3ccccc3)no2)cn1 ZINC000072158912 571175326 /nfs/dbraw/zinc/17/53/26/571175326.db2.gz WLUYMXBXUKTKAB-KRWDZBQOSA-N 1 2 364.453 3.686 50 0 FHAALO CCCNc1ncc(C[N@H+]2CCC[C@H]2c2nc(-c3ccccc3)no2)cn1 ZINC000072158912 571175328 /nfs/dbraw/zinc/17/53/28/571175328.db2.gz WLUYMXBXUKTKAB-KRWDZBQOSA-N 1 2 364.453 3.686 50 0 FHAALO Cc1cc(OCC(=O)N[C@H](Cc2[nH]cc[nH+]2)c2ccccc2)ccc1Cl ZINC000012538759 571176569 /nfs/dbraw/zinc/17/65/69/571176569.db2.gz MRKFLVRFULXRHU-GOSISDBHSA-N 1 2 369.852 3.851 50 0 FHAALO CCOc1cc2c(cc1C[NH+]1CCN(Cc3ncccc3C)CC1)CCC2 ZINC000072168463 571176999 /nfs/dbraw/zinc/17/69/99/571176999.db2.gz SRTDDBJDUDOPSP-UHFFFAOYSA-N 1 2 365.521 3.595 50 0 FHAALO Cn1cc[nH+]c1[C@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000012559757 571181849 /nfs/dbraw/zinc/18/18/49/571181849.db2.gz KSXDUWXHMSEXSO-GOSISDBHSA-N 1 2 357.816 3.661 50 0 FHAALO COc1ccc(-c2cc(C[NH+]3CCN(c4ccccc4F)CC3)on2)cc1 ZINC000012562790 571183098 /nfs/dbraw/zinc/18/30/98/571183098.db2.gz TXCUNLCWOUQBGJ-UHFFFAOYSA-N 1 2 367.424 3.812 50 0 FHAALO O=C(C[N@H+]1CC=C(c2c[nH]c3ccccc32)CC1)NCc1cccs1 ZINC000013000614 571187634 /nfs/dbraw/zinc/18/76/34/571187634.db2.gz BAQGUMVVIURYTG-UHFFFAOYSA-N 1 2 351.475 3.635 50 0 FHAALO O=C(C[N@@H+]1CC=C(c2c[nH]c3ccccc32)CC1)NCc1cccs1 ZINC000013000614 571187638 /nfs/dbraw/zinc/18/76/38/571187638.db2.gz BAQGUMVVIURYTG-UHFFFAOYSA-N 1 2 351.475 3.635 50 0 FHAALO Cc1ccc(C)n1CCCC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000253409594 571190205 /nfs/dbraw/zinc/19/02/05/571190205.db2.gz MBVHVYHWPIGTNK-FQEVSTJZSA-N 1 2 350.466 3.524 50 0 FHAALO Cc1ccc(C(=O)C2CC[NH+](CC(=O)Nc3cccc(F)c3)CC2)c(C)c1 ZINC000026639371 571191626 /nfs/dbraw/zinc/19/16/26/571191626.db2.gz IWKBXEZJDQZITG-UHFFFAOYSA-N 1 2 368.452 3.976 50 0 FHAALO Cc1c(F)cccc1[C@H]1c2[nH]c[nH+]c2CCN1Cc1cnn(C)c1C1CC1 ZINC000072410641 571191928 /nfs/dbraw/zinc/19/19/28/571191928.db2.gz QVYKQANSUDTVQX-NRFANRHFSA-N 1 2 365.456 3.616 50 0 FHAALO O=C(Nc1cccc(-c2ccco2)c1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000299783383 571198865 /nfs/dbraw/zinc/19/88/65/571198865.db2.gz XQRHSSXCMDMNRW-IBGZPJMESA-N 1 2 369.465 3.665 50 0 FHAALO O=C(c1ccccc1-c1[nH]cc[nH+]1)N1CCC(Oc2cccc(F)c2)CC1 ZINC000072474385 571199009 /nfs/dbraw/zinc/19/90/09/571199009.db2.gz LZHYNDDLFHKRLV-UHFFFAOYSA-N 1 2 365.408 3.899 50 0 FHAALO Cc1cccc(NC(=O)N(Cc2ccccc2)[C@H](C)C[NH+]2CCOCC2)c1 ZINC000075582653 571201245 /nfs/dbraw/zinc/20/12/45/571201245.db2.gz MJIVDEHQIWESNI-LJQANCHMSA-N 1 2 367.493 3.750 50 0 FHAALO COC(=O)[C@@H](CC(C)C)[NH2+]Cc1ccc(OCc2csc(C)n2)cc1 ZINC000097164442 571205398 /nfs/dbraw/zinc/20/53/98/571205398.db2.gz KMVOUSOFUGVGKB-GOSISDBHSA-N 1 2 362.495 3.708 50 0 FHAALO Cc1[nH]c2c(c1CC(=O)N1CCC[C@@H](c3[nH]cc[nH+]3)C1)c(C)ccc2C ZINC000077356916 571209070 /nfs/dbraw/zinc/20/90/70/571209070.db2.gz SAVSGGNWDSBRRN-MRXNPFEDSA-N 1 2 350.466 3.765 50 0 FHAALO Cc1nc2n(n1)C(=O)C([C@H](c1ccccc1)[NH+]1C[C@H](C)C[C@@H](C)C1)S2 ZINC000023156786 571219123 /nfs/dbraw/zinc/21/91/23/571219123.db2.gz TWNXXGNDLYDOKC-IOASZLSFSA-N 1 2 356.495 3.872 50 0 FHAALO CCC[C@H](NC(=O)c1ccc(-c2ccc(OC)nc2)cc1)c1[nH+]ccn1C ZINC000426401920 571220613 /nfs/dbraw/zinc/22/06/13/571220613.db2.gz PNELUQHYWJCALD-SFHVURJKSA-N 1 2 364.449 3.762 50 0 FHAALO Cc1ccc(-c2cccc(C(=O)N3CC[NH+](Cc4ccco4)CC3)c2)cn1 ZINC000426491419 571227939 /nfs/dbraw/zinc/22/79/39/571227939.db2.gz KMLZYJKWUCGMMT-UHFFFAOYSA-N 1 2 361.445 3.608 50 0 FHAALO C[C@]1(C(=O)N2CCC(c3[nH+]ccn3Cc3ccccc3)CC2)CCCCO1 ZINC000082120404 571228632 /nfs/dbraw/zinc/22/86/32/571228632.db2.gz RSLAQQFGEQRSPA-JOCHJYFZSA-N 1 2 367.493 3.597 50 0 FHAALO Cc1cn2cc(C(=O)N3CCC[C@H](c4nc5ccccc5n4C)C3)ccc2[nH+]1 ZINC000082120396 571228673 /nfs/dbraw/zinc/22/86/73/571228673.db2.gz DMNFBRKXJLGXIE-INIZCTEOSA-N 1 2 373.460 3.549 50 0 FHAALO Cc1nc(C(=O)N2CCC[C@@H](c3[nH+]ccn3Cc3ccccc3)C2)cs1 ZINC000082157782 571229486 /nfs/dbraw/zinc/22/94/86/571229486.db2.gz DWOUSJUQOKNOHS-QGZVFWFLSA-N 1 2 366.490 3.716 50 0 FHAALO Cc1c(NC(=O)NCCCc2[nH]cc[nH+]2)cccc1NC(=O)C1CCCC1 ZINC000426613595 571233288 /nfs/dbraw/zinc/23/32/88/571233288.db2.gz HRCWEHXKABUSIX-UHFFFAOYSA-N 1 2 369.469 3.601 50 0 FHAALO COc1ccc2cc(C[NH+]3CCN(c4ccccn4)CC3)c(Cl)nc2c1 ZINC000006653762 571239585 /nfs/dbraw/zinc/23/95/85/571239585.db2.gz UARPZVLIDFNPFQ-UHFFFAOYSA-N 1 2 368.868 3.614 50 0 FHAALO COc1ccc(-c2ccc(C(=O)N3CCC(c4[nH+]ccn4C)CC3)o2)cc1 ZINC000091620053 571241237 /nfs/dbraw/zinc/24/12/37/571241237.db2.gz IMXOYOPRCXYYRJ-UHFFFAOYSA-N 1 2 365.433 3.709 50 0 FHAALO CCn1cc[nH+]c1[C@@H]1CCCN(C(=O)Nc2ccc(OC)c(Cl)c2)C1 ZINC000091680627 571242385 /nfs/dbraw/zinc/24/23/85/571242385.db2.gz MLQDXFLORMJVAJ-CYBMUJFWSA-N 1 2 362.861 3.977 50 0 FHAALO O=C(Cc1cccc(Cl)c1)N1CCC(CCOc2cc[nH+]cc2)CC1 ZINC000065181058 571255777 /nfs/dbraw/zinc/25/57/77/571255777.db2.gz XVOSRCFDHSPCNL-UHFFFAOYSA-N 1 2 358.869 3.985 50 0 FHAALO COc1cccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2[nH]nc3c2cccc3Cl)c1 ZINC000170593839 571266228 /nfs/dbraw/zinc/26/62/28/571266228.db2.gz QJSAGYPHURWALV-RYUDHWBXSA-N 1 2 372.856 3.903 50 0 FHAALO COc1cccc2cc(C(=O)NC[C@@H](c3ccsc3)[NH+]3CCC3)oc21 ZINC000252535986 571282811 /nfs/dbraw/zinc/28/28/11/571282811.db2.gz HJVFZNHZJWHZPK-HNNXBMFYSA-N 1 2 356.447 3.680 50 0 FHAALO CCC[N@H+](C)Cc1nnc(SCc2ccccc2C)n1C[C@@H]1CCCO1 ZINC000014977128 571308149 /nfs/dbraw/zinc/30/81/49/571308149.db2.gz IHSJLGXFESIZMU-SFHVURJKSA-N 1 2 374.554 3.900 50 0 FHAALO 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DLIBLGUAUHCCQC-UHFFFAOYSA-N 1 2 362.408 3.980 50 0 FHAALO C[N@@H+](Cc1nc(Cc2ccccc2F)no1)Cc1cccc2ncccc12 ZINC000055341741 205214161 /nfs/dbraw/zinc/21/41/61/205214161.db2.gz DLIBLGUAUHCCQC-UHFFFAOYSA-N 1 2 362.408 3.980 50 0 FHAALO Cc1[nH+]c2ccccc2n1CC(=O)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000055946463 205226013 /nfs/dbraw/zinc/22/60/13/205226013.db2.gz PSAUNNMCCLLIAD-FPOVZHCZSA-N 1 2 367.424 3.520 50 0 FHAALO CCc1cccc(CC)c1NC(=O)C[NH2+]C1(c2noc(C)n2)CCCCC1 ZINC000057265259 205237504 /nfs/dbraw/zinc/23/75/04/205237504.db2.gz MAHFVENUBGKCPD-UHFFFAOYSA-N 1 2 370.497 3.891 50 0 FHAALO COc1c(C)c[nH+]c(CN(C)C(=O)c2ccc(OC(F)(F)F)cc2)c1C ZINC000058166375 205251751 /nfs/dbraw/zinc/25/17/51/205251751.db2.gz HGGOPFAZVKBTQS-UHFFFAOYSA-N 1 2 368.355 3.878 50 0 FHAALO O=C(NCc1ccc(-n2cc[nH+]c2)nc1)c1ccc(-c2ccccc2F)o1 ZINC000058357423 205272922 /nfs/dbraw/zinc/27/29/22/205272922.db2.gz SFSLDIAMZGLHOJ-UHFFFAOYSA-N 1 2 362.364 3.596 50 0 FHAALO Cc1oc(-c2ccccc2)nc1CC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000057996946 205246878 /nfs/dbraw/zinc/24/68/78/205246878.db2.gz KKIXKQCRUVUSCU-UHFFFAOYSA-N 1 2 372.428 3.695 50 0 FHAALO Cc1ccc(Nc2c(C(=O)N3CCOCC3)c[nH+]c3ccccc32)cc1F ZINC000064471568 205298953 /nfs/dbraw/zinc/29/89/53/205298953.db2.gz OMIAYTNGEDBGSI-UHFFFAOYSA-N 1 2 365.408 3.898 50 0 FHAALO O=C(Cc1cccc(C(F)(F)F)c1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000065498091 205355814 /nfs/dbraw/zinc/35/58/14/205355814.db2.gz IGLOPLILBMZMIA-UHFFFAOYSA-N 1 2 359.351 3.750 50 0 FHAALO C[N@H+](Cc1nnc2sc(-c3cccc(F)c3)nn12)Cc1ccccc1 ZINC000065362673 205337956 /nfs/dbraw/zinc/33/79/56/205337956.db2.gz MUTKWNRHAGALOD-UHFFFAOYSA-N 1 2 353.426 3.624 50 0 FHAALO C[N@@H+](Cc1nnc2sc(-c3cccc(F)c3)nn12)Cc1ccccc1 ZINC000065362673 205337960 /nfs/dbraw/zinc/33/79/60/205337960.db2.gz MUTKWNRHAGALOD-UHFFFAOYSA-N 1 2 353.426 3.624 50 0 FHAALO Cc1ccccc1-c1noc(C[NH2+][C@@H](Cn2cccn2)c2ccccc2)n1 ZINC000065381498 205342570 /nfs/dbraw/zinc/34/25/70/205342570.db2.gz DELLWLWNUUDNKS-IBGZPJMESA-N 1 2 359.433 3.773 50 0 FHAALO Cc1[nH]cc(-c2c(-c3ccccc3)ncn2C[C@H](O)Cc2ccccc2)[nH+]1 ZINC000065397563 205346087 /nfs/dbraw/zinc/34/60/87/205346087.db2.gz LECJUPLVARUCMQ-LJQANCHMSA-N 1 2 358.445 3.852 50 0 FHAALO CCCn1cc[nH+]c1[C@H]1CC(=O)Nc2c1cnn2Cc1ccccc1Cl ZINC000065399214 205346321 /nfs/dbraw/zinc/34/63/21/205346321.db2.gz LPTGNZPWMKKTIM-AWEZNQCLSA-N 1 2 369.856 3.665 50 0 FHAALO Cc1c(O)cccc1C(=O)NCc1ccc[nH+]c1N1CCc2ccccc2C1 ZINC000067472704 205373265 /nfs/dbraw/zinc/37/32/65/205373265.db2.gz LMNOIPUPWMYABD-UHFFFAOYSA-N 1 2 373.456 3.588 50 0 FHAALO Cc1nn(C)c(C)c1[C@H](C)n1c[nH+]c(-c2ccccc2)c1CCn1cccn1 ZINC000067674667 205382855 /nfs/dbraw/zinc/38/28/55/205382855.db2.gz POUAXFFRBWKNAN-SFHVURJKSA-N 1 2 374.492 3.949 50 0 FHAALO CCc1oc2ccccc2c1C[N@@H+]1CCc2nc[nH]c2[C@H]1c1cnn(C)c1 ZINC000067688464 205384226 /nfs/dbraw/zinc/38/42/26/205384226.db2.gz GJGILNOZTMSMOH-OAQYLSRUSA-N 1 2 361.449 3.600 50 0 FHAALO CCc1oc2ccccc2c1C[N@H+]1CCc2nc[nH]c2[C@H]1c1cnn(C)c1 ZINC000067688464 205384231 /nfs/dbraw/zinc/38/42/31/205384231.db2.gz GJGILNOZTMSMOH-OAQYLSRUSA-N 1 2 361.449 3.600 50 0 FHAALO CCc1nccc(CN2CCc3[nH+]c[nH]c3[C@@H]2c2cc3ccccc3o2)n1 ZINC000067740259 205386764 /nfs/dbraw/zinc/38/67/64/205386764.db2.gz LUXFHUMARYCOIN-NRFANRHFSA-N 1 2 359.433 3.656 50 0 FHAALO CC(C)n1c(CN2CCc3[nH+]c[nH]c3[C@@H]2c2ccccn2)nc2ccccc21 ZINC000067739660 205387174 /nfs/dbraw/zinc/38/71/74/205387174.db2.gz QWGSGALBOWMPTO-QFIPXVFZSA-N 1 2 372.476 3.883 50 0 FHAALO C[N@H+](Cc1cc(C2CC2)n[nH]1)Cc1cccc(C(=O)Nc2ccccn2)c1 ZINC000067775011 205390411 /nfs/dbraw/zinc/39/04/11/205390411.db2.gz WZHOPDHGTCCWKP-UHFFFAOYSA-N 1 2 361.449 3.566 50 0 FHAALO C[N@@H+](Cc1cc(C2CC2)n[nH]1)Cc1cccc(C(=O)Nc2ccccn2)c1 ZINC000067775011 205390416 /nfs/dbraw/zinc/39/04/16/205390416.db2.gz WZHOPDHGTCCWKP-UHFFFAOYSA-N 1 2 361.449 3.566 50 0 FHAALO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc(N3CCCC3)c(Cl)c2)C1 ZINC000095509264 205775854 /nfs/dbraw/zinc/77/58/54/205775854.db2.gz VVSKJZYODHZJPI-INIZCTEOSA-N 1 2 372.900 3.694 50 0 FHAALO Cc1ccc(OCCC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1C ZINC000045056059 206076180 /nfs/dbraw/zinc/07/61/80/206076180.db2.gz IVBRSXJZLZKTGU-UHFFFAOYSA-N 1 2 363.461 3.634 50 0 FHAALO Cc1ccc2c(CC(=O)NCc3ccccc3Cn3cc[nH+]c3)coc2c1 ZINC000048235152 206084297 /nfs/dbraw/zinc/08/42/97/206084297.db2.gz BAYWLQSEZVPUPY-UHFFFAOYSA-N 1 2 359.429 3.845 50 0 FHAALO O=C(CSc1[nH+]cnc2c1cnn2-c1ccccc1)c1cccs1 ZINC000000790149 206132615 /nfs/dbraw/zinc/13/26/15/206132615.db2.gz AQUYMOTYOVAMBI-UHFFFAOYSA-N 1 2 352.444 3.852 50 0 FHAALO CC[C@H](Sc1[nH+]cnc2c1cnn2-c1ccc(Cl)cc1)C(=O)OC ZINC000004341673 206176369 /nfs/dbraw/zinc/17/63/69/206176369.db2.gz GZQLCSSMLRUMLC-ZDUSSCGKSA-N 1 2 362.842 3.513 50 0 FHAALO O=C(NCc1cccnc1-n1cc[nH+]c1)N1CCCCC[C@H]1c1ccco1 ZINC000152164023 206178081 /nfs/dbraw/zinc/17/80/81/206178081.db2.gz NPNGSCYTQSIZEM-KRWDZBQOSA-N 1 2 365.437 3.687 50 0 FHAALO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC(=O)Nc2cccc(C)c2)c1 ZINC000007716927 206211726 /nfs/dbraw/zinc/21/17/26/206211726.db2.gz JIYDLIMYQTUNDI-LJQANCHMSA-N 1 2 354.450 3.788 50 0 FHAALO COc1ccc(OC)c([C@H]2CCC[N@H+]2CC(=O)Nc2cccc(C)c2)c1 ZINC000007716927 206211728 /nfs/dbraw/zinc/21/17/28/206211728.db2.gz JIYDLIMYQTUNDI-LJQANCHMSA-N 1 2 354.450 3.788 50 0 FHAALO C[C@H](NS(=O)(=O)c1ccc(Cl)s1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000008013606 206215090 /nfs/dbraw/zinc/21/50/90/206215090.db2.gz PRFQNXOOBZDPJG-NSHDSACASA-N 1 2 367.883 3.627 50 0 FHAALO O=C1[C@@H]2CC=CC[C@H]2C(=O)N1C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000003345373 206233456 /nfs/dbraw/zinc/23/34/56/206233456.db2.gz UOEPNNGXPJHKQJ-NHCUHLMSSA-N 1 2 360.457 3.598 50 0 FHAALO C[C@H]1CCC[N@@H+]([C@@]2(O)c3ccccc3N(Cc3ccccc3Cl)C2=O)C1 ZINC000169679152 206255268 /nfs/dbraw/zinc/25/52/68/206255268.db2.gz OUNDQKWISRTBFZ-YCRPNKLZSA-N 1 2 370.880 3.764 50 0 FHAALO C[C@H]1CCC[N@H+]([C@@]2(O)c3ccccc3N(Cc3ccccc3Cl)C2=O)C1 ZINC000169679152 206255272 /nfs/dbraw/zinc/25/52/72/206255272.db2.gz OUNDQKWISRTBFZ-YCRPNKLZSA-N 1 2 370.880 3.764 50 0 FHAALO O=C(NC(c1ccccc1)c1ccccc1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000178851838 206248206 /nfs/dbraw/zinc/24/82/06/206248206.db2.gz WGYIHNSXBCUOFP-HXUWFJFHSA-N 1 2 372.472 3.749 50 0 FHAALO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1ccc(F)c(Cl)c1F)C2 ZINC000184514363 206316950 /nfs/dbraw/zinc/31/69/50/206316950.db2.gz BDRZTVPIFDESMN-UHFFFAOYSA-N 1 2 353.800 3.674 50 0 FHAALO O=C1[C@H]2CC=CC[C@@H]2C(=O)N1C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000015981583 206317574 /nfs/dbraw/zinc/31/75/74/206317574.db2.gz UOEPNNGXPJHKQJ-SFTDATJTSA-N 1 2 360.457 3.598 50 0 FHAALO C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000022018142 206366125 /nfs/dbraw/zinc/36/61/25/206366125.db2.gz WNDMBVYJDCWGJH-KURKYZTESA-N 1 2 368.477 3.702 50 0 FHAALO Cc1ccc(C(=O)CCC(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)s1 ZINC000048234940 221001927 /nfs/dbraw/zinc/00/19/27/221001927.db2.gz DYAXFRZBCIZGLM-IBGZPJMESA-N 1 2 367.474 3.659 50 0 FHAALO Cc1nc(N2CCC[C@@]3(CCC(=O)N(C4CCCC4)C3)C2)c(C)c(C)[nH+]1 ZINC000077506070 132188262 /nfs/dbraw/zinc/18/82/62/132188262.db2.gz IEJURPMCUWDVOA-OAQYLSRUSA-N 1 2 356.514 3.553 50 0 FHAALO Cc1cc(N2C[C@H](C)O[C@@H](c3ccsc3)C2)nc(-c2ccncc2)[nH+]1 ZINC000225472629 132284996 /nfs/dbraw/zinc/28/49/96/132284996.db2.gz HBXZVEXSRSCDLG-WMLDXEAASA-N 1 2 352.463 3.875 50 0 FHAALO CCOc1ccc(NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1 ZINC000033280223 136117589 /nfs/dbraw/zinc/11/75/89/136117589.db2.gz OKMUXFNKXQEMAK-UHFFFAOYSA-N 1 2 354.454 3.792 50 0 FHAALO Clc1cccc(N2CC[NH+](Cc3nc(-c4ccccc4)no3)CC2)c1 ZINC000055545166 136127045 /nfs/dbraw/zinc/12/70/45/136127045.db2.gz YJOAHLWLYTVYGJ-UHFFFAOYSA-N 1 2 354.841 3.712 50 0 aggregator FHAALO CCOc1ccccc1N1CC[NH+](Cc2coc3ccccc3c2=O)CC1 ZINC000055543943 136127078 /nfs/dbraw/zinc/12/70/78/136127078.db2.gz CILJCKNEIWNTPR-UHFFFAOYSA-N 1 2 364.445 3.514 50 0 FHAALO Clc1ccc(-c2noc(C[NH+]3CCN(c4ccccc4)CC3)n2)cc1 ZINC000055554740 136127147 /nfs/dbraw/zinc/12/71/47/136127147.db2.gz MFIWBVJOJPOURE-UHFFFAOYSA-N 1 2 354.841 3.712 50 0 FHAALO C[C@H](C(=O)N(C)Cc1ccccc1)[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000057024397 136128150 /nfs/dbraw/zinc/12/81/50/136128150.db2.gz KUSLWAACJMFAFO-QGZVFWFLSA-N 1 2 371.912 3.509 50 0 FHAALO Cc1cccc(NC(=O)C[NH+]2CCN(c3cccc(C)c3C)CC2)c1C ZINC000057364164 136128957 /nfs/dbraw/zinc/12/89/57/136128957.db2.gz GSIFHMVXJZGXRU-UHFFFAOYSA-N 1 2 351.494 3.681 50 0 FHAALO CC[C@H](Oc1ccccc1)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000020572931 522889800 /nfs/dbraw/zinc/88/98/00/522889800.db2.gz QFDRGUNGDNHZRT-FQTAANOTSA-N 1 2 364.489 3.702 50 0 FHAALO CCn1nc(C(C)C)cc1C(=O)N1CCC[C@@H](c2[nH+]ccn2CC2CC2)C1 ZINC000082121401 523615448 /nfs/dbraw/zinc/61/54/48/523615448.db2.gz GOKFZWDHWSNFAU-QGZVFWFLSA-N 1 2 369.513 3.653 50 0 FHAALO COc1cccc([C@H]2CC[N@@H+]2Cc2ccc(Sc3nncn3C)o2)c1 ZINC000216518583 524179478 /nfs/dbraw/zinc/17/94/78/524179478.db2.gz QWOSLZSUVQMSML-MRXNPFEDSA-N 1 2 356.451 3.515 50 0 FHAALO COc1cccc([C@H]2CC[N@H+]2Cc2ccc(Sc3nncn3C)o2)c1 ZINC000216518583 524179482 /nfs/dbraw/zinc/17/94/82/524179482.db2.gz QWOSLZSUVQMSML-MRXNPFEDSA-N 1 2 356.451 3.515 50 0 FHAALO Cc1ccc(N2C[C@H](C)[N@@H+](CCCC(=O)c3ccccc3)CC2=O)cc1 ZINC000091656788 524985455 /nfs/dbraw/zinc/98/54/55/524985455.db2.gz VWLFWOZKFVRRCZ-SFHVURJKSA-N 1 2 350.462 3.695 50 0 FHAALO Cc1ccc(N2C[C@H](C)[N@H+](CCCC(=O)c3ccccc3)CC2=O)cc1 ZINC000091656788 524985463 /nfs/dbraw/zinc/98/54/63/524985463.db2.gz VWLFWOZKFVRRCZ-SFHVURJKSA-N 1 2 350.462 3.695 50 0 FHAALO COc1cccc(CCC(=O)N2CCC[C@H](c3[nH+]ccn3CC3CC3)C2)c1 ZINC000082120002 525877884 /nfs/dbraw/zinc/87/78/84/525877884.db2.gz HIRNJSIFOOQKHB-IBGZPJMESA-N 1 2 367.493 3.641 50 0 FHAALO O=C(CCc1ccccc1)N1CCC(c2[nH+]ccn2Cc2ccncc2)CC1 ZINC000091587184 526605974 /nfs/dbraw/zinc/60/59/74/526605974.db2.gz MCWYSJLEFZSNRJ-UHFFFAOYSA-N 1 2 374.488 3.665 50 0 FHAALO O=C(COc1ccc(Cl)cc1)N1CCC[C@@H](c2[nH+]ccn2CC2CC2)C1 ZINC000082161290 526952048 /nfs/dbraw/zinc/95/20/48/526952048.db2.gz FJZHXDPIAZFUQC-MRXNPFEDSA-N 1 2 373.884 3.732 50 0 FHAALO Cc1[nH]c2ccc(CC(=O)N3CCCC[C@@H]3c3nc(C(C)C)no3)cc2[nH+]1 ZINC000299785366 527118893 /nfs/dbraw/zinc/11/88/93/527118893.db2.gz YXGKESKISGJYGT-QGZVFWFLSA-N 1 2 367.453 3.674 50 0 FHAALO Cc1[nH]c2cc(CC(=O)N3CCCC[C@@H]3c3nc(C(C)C)no3)ccc2[nH+]1 ZINC000299785366 527118895 /nfs/dbraw/zinc/11/88/95/527118895.db2.gz YXGKESKISGJYGT-QGZVFWFLSA-N 1 2 367.453 3.674 50 0 FHAALO CC(C)(C)c1cn2nc(Nc3ccc([NH+]4CCC(O)CC4)cc3)sc2n1 ZINC000054059429 535137816 /nfs/dbraw/zinc/13/78/16/535137816.db2.gz DBEPLQHMNYSEGJ-UHFFFAOYSA-N 1 2 371.510 3.793 50 0 FHAALO CC[NH+](/C=C1\c2ccccc2C(=O)N(c2ccc(OC)cc2)C1=O)CC ZINC000100190682 535651685 /nfs/dbraw/zinc/65/16/85/535651685.db2.gz YMALKYOTZPQWTM-XMHGGMMESA-N 1 2 350.418 3.565 50 0 FHAALO Cc1cc(C(=O)N2CCC[C@H](c3[nH+]ccn3Cc3ccccn3)C2)cs1 ZINC000091768948 570437952 /nfs/dbraw/zinc/43/79/52/570437952.db2.gz OHMXFKSMTRVINY-INIZCTEOSA-N 1 2 366.490 3.716 50 0 FHAALO CCn1cc[nH+]c1[C@H]1CCCN(C(=O)Cc2cccc(C(F)(F)F)c2)C1 ZINC000091818248 570439921 /nfs/dbraw/zinc/43/99/21/570439921.db2.gz SXWNVAIDELOXLU-HNNXBMFYSA-N 1 2 365.399 3.871 50 0 FHAALO CCn1cc[nH+]c1[C@@H]1CCCN(C(=O)CCn2c(C)cc3ccccc32)C1 ZINC000091931646 570442352 /nfs/dbraw/zinc/44/23/52/570442352.db2.gz QSQNOEWULLDMOP-LJQANCHMSA-N 1 2 364.493 3.962 50 0 FHAALO Cc1ccc2[nH]c(CCNC(=O)c3ccc(-c4cc[nH]n4)cc3)[nH+]c2c1C ZINC000095353389 570452215 /nfs/dbraw/zinc/45/22/15/570452215.db2.gz JIEHUGZVIHWRQL-UHFFFAOYSA-N 1 2 359.433 3.542 50 0 FHAALO C[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)NCCSCc1cccc(Cl)c1 ZINC000095353099 570452316 /nfs/dbraw/zinc/45/23/16/570452316.db2.gz LENDVQGVEROHLL-LJQANCHMSA-N 1 2 374.937 3.746 50 0 FHAALO C[N@H+]1Cc2ccccc2C[C@@H]1C(=O)NCCSCc1cccc(Cl)c1 ZINC000095353099 570452319 /nfs/dbraw/zinc/45/23/19/570452319.db2.gz LENDVQGVEROHLL-LJQANCHMSA-N 1 2 374.937 3.746 50 0 FHAALO Cc1nccc(-c2ccccc2)c1C(=O)N1CCC[C@H](Cn2cc[nH+]c2)C1 ZINC000095355336 570452707 /nfs/dbraw/zinc/45/27/07/570452707.db2.gz KPWRBWAFTMUKSC-GOSISDBHSA-N 1 2 360.461 3.806 50 0 FHAALO CSc1ncccc1C(=O)N1CCC[C@@H](c2[nH+]ccn2CC2CCC2)C1 ZINC000095364049 570454801 /nfs/dbraw/zinc/45/48/01/570454801.db2.gz OKJBQCIYDJDNRE-MRXNPFEDSA-N 1 2 370.522 3.820 50 0 FHAALO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)c1c[nH]nc1-c1ccccc1 ZINC000095365486 570455149 /nfs/dbraw/zinc/45/51/49/570455149.db2.gz NEZWOFZFDWIUSK-UHFFFAOYSA-N 1 2 371.444 3.594 50 0 FHAALO O=C(C1CCCCC1)N1CCC[C@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095366834 570455673 /nfs/dbraw/zinc/45/56/73/570455673.db2.gz NUMNGUPJSUNEPG-INIZCTEOSA-N 1 2 358.511 3.674 50 0 FHAALO Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CCc3nc[nH]c3C2)o1 ZINC000095382502 570458874 /nfs/dbraw/zinc/45/88/74/570458874.db2.gz QHDOLZUCRBZZGR-UHFFFAOYSA-N 1 2 359.433 3.722 50 0 FHAALO Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CCc3nc[nH]c3C2)o1 ZINC000095382502 570458876 /nfs/dbraw/zinc/45/88/76/570458876.db2.gz QHDOLZUCRBZZGR-UHFFFAOYSA-N 1 2 359.433 3.722 50 0 FHAALO CC(C)n1cc[nH+]c1[C@H]1CCCN(C(=O)Cn2ccc3ccccc32)C1 ZINC000095387772 570460205 /nfs/dbraw/zinc/46/02/05/570460205.db2.gz VWBRNGUTZQMWHY-SFHVURJKSA-N 1 2 350.466 3.825 50 0 FHAALO COCc1cc(C[N@@H+]2CCc3nc(-c4ccccc4)[nH]c3C2)ccc1OC ZINC000095515251 570465762 /nfs/dbraw/zinc/46/57/62/570465762.db2.gz LCWDITBVLGKIEV-UHFFFAOYSA-N 1 2 363.461 3.790 50 0 FHAALO COCc1cc(C[N@H+]2CCc3nc(-c4ccccc4)[nH]c3C2)ccc1OC ZINC000095515251 570465766 /nfs/dbraw/zinc/46/57/66/570465766.db2.gz LCWDITBVLGKIEV-UHFFFAOYSA-N 1 2 363.461 3.790 50 0 FHAALO COCCN(Cc1ccccc1F)C(=O)Nc1cc2[nH]c[nH+]c2c(C)c1C ZINC000096140656 570476743 /nfs/dbraw/zinc/47/67/43/570476743.db2.gz CGURPZZABJEOQK-UHFFFAOYSA-N 1 2 370.428 3.999 50 0 FHAALO COCCN(Cc1ccccc1F)C(=O)Nc1cc2[nH+]c[nH]c2c(C)c1C ZINC000096140656 570476746 /nfs/dbraw/zinc/47/67/46/570476746.db2.gz CGURPZZABJEOQK-UHFFFAOYSA-N 1 2 370.428 3.999 50 0 FHAALO Cc1[nH]nc(CCC(=O)NC[C@H](c2ccc(Cl)cc2)[NH+]2CCCC2)c1C ZINC000096140991 570476843 /nfs/dbraw/zinc/47/68/43/570476843.db2.gz XXDUJDHKXUDWAO-LJQANCHMSA-N 1 2 374.916 3.566 50 0 FHAALO Cc1cc(NC(=O)N2CCC[C@@H](Cn3cc[nH+]c3)C2)n(C2CCCCC2)n1 ZINC000096149647 570477208 /nfs/dbraw/zinc/47/72/08/570477208.db2.gz SYGCTZDVRSOQAT-KRWDZBQOSA-N 1 2 370.501 3.837 50 0 FHAALO Cc1cc(NC(=O)NCc2ccc3[nH]c(C)[nH+]c3c2)n(C2CCCC2)n1 ZINC000096152270 570477476 /nfs/dbraw/zinc/47/74/76/570477476.db2.gz ROGFBKDIWWGOTC-UHFFFAOYSA-N 1 2 352.442 3.813 50 0 FHAALO Cc1cc(NC(=O)NCc2ccc3[nH+]c(C)[nH]c3c2)n(C2CCCC2)n1 ZINC000096152270 570477477 /nfs/dbraw/zinc/47/74/77/570477477.db2.gz ROGFBKDIWWGOTC-UHFFFAOYSA-N 1 2 352.442 3.813 50 0 FHAALO c1cn(CCCc2nc(C3(c4ccccc4)CC3)nn2-c2ccccn2)c[nH+]1 ZINC000096180043 570478426 /nfs/dbraw/zinc/47/84/26/570478426.db2.gz UFJKZIAIORDIOB-UHFFFAOYSA-N 1 2 370.460 3.572 50 0 FHAALO CS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cccc(Oc3ccccc3)c2)C1 ZINC000097425350 570487437 /nfs/dbraw/zinc/48/74/37/570487437.db2.gz WFVJBRBZKRBXNS-SFHVURJKSA-N 1 2 359.491 3.736 50 0 FHAALO CS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2cccc(Oc3ccccc3)c2)C1 ZINC000097425350 570487439 /nfs/dbraw/zinc/48/74/39/570487439.db2.gz WFVJBRBZKRBXNS-SFHVURJKSA-N 1 2 359.491 3.736 50 0 FHAALO CCC[C@@H](NC(=O)Nc1ccc(C)c(N2CCCC2=O)c1)c1[nH+]ccn1C ZINC000097601029 570491095 /nfs/dbraw/zinc/49/10/95/570491095.db2.gz WYOFQCHZXAITNB-MRXNPFEDSA-N 1 2 369.469 3.518 50 0 FHAALO C[C@H](CCNC(=O)N(Cc1ccncc1)C1CCCCC1)n1cc[nH+]c1 ZINC000584903013 570510084 /nfs/dbraw/zinc/51/00/84/570510084.db2.gz JLNJKVVNVBUPSW-QGZVFWFLSA-N 1 2 355.486 3.774 50 0 FHAALO Cc1ccc(CCCC(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)s1 ZINC000257173175 570525881 /nfs/dbraw/zinc/52/58/81/570525881.db2.gz FSPIQUNTLUEJFN-UHFFFAOYSA-N 1 2 360.498 3.863 50 0 FHAALO Cn1ncc2c1nc[nH+]c2SCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000011683601 570541513 /nfs/dbraw/zinc/54/15/13/570541513.db2.gz NFIKHXDVDFXJJV-UHFFFAOYSA-N 1 2 357.826 3.964 50 0 FHAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)NC4CCCC4)csc3C2)nc1 ZINC000426536553 570615427 /nfs/dbraw/zinc/61/54/27/570615427.db2.gz SVKCSHAYNREZSM-UHFFFAOYSA-N 1 2 369.534 3.936 50 0 FHAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)NC4CCCC4)csc3C2)nc1 ZINC000426536553 570615431 /nfs/dbraw/zinc/61/54/31/570615431.db2.gz SVKCSHAYNREZSM-UHFFFAOYSA-N 1 2 369.534 3.936 50 0 FHAALO O=C(c1cccc(-c2ccccc2OCCn2cc[nH+]c2)c1)N1CCCC1 ZINC000426573326 570616808 /nfs/dbraw/zinc/61/68/08/570616808.db2.gz UQPPVLAEEUJVQZ-UHFFFAOYSA-N 1 2 361.445 3.865 50 0 FHAALO O=C(Nc1cccc(-c2ccco2)c1)C1CC[NH+](Cc2ncc[nH]2)CC1 ZINC000011663591 570704844 /nfs/dbraw/zinc/70/48/44/570704844.db2.gz CCUHWVGDTQSSPE-UHFFFAOYSA-N 1 2 350.422 3.520 50 0 FHAALO O=C(c1cccc(-c2[nH]cc[nH+]2)c1)N1CCC[C@@H](Nc2ccc(F)cc2)C1 ZINC000012301634 570733821 /nfs/dbraw/zinc/73/38/21/570733821.db2.gz DLRXADKETFHHJT-LJQANCHMSA-N 1 2 364.424 3.933 50 0 FHAALO Cn1cc[nH+]c1CNC(=O)C[C@@H](c1ccccc1)c1ccccc1Cl ZINC000012446142 570746668 /nfs/dbraw/zinc/74/66/68/570746668.db2.gz BCRDXLGBONRRGG-KRWDZBQOSA-N 1 2 353.853 3.912 50 0 FHAALO CC(=O)c1cc(C[N@@H+]2CCC[C@H](C(=O)c3ccc4c(c3)OCO4)C2)cs1 ZINC000012571781 570750885 /nfs/dbraw/zinc/75/08/85/570750885.db2.gz LTSLHGGPVCHVAC-INIZCTEOSA-N 1 2 371.458 3.774 50 0 FHAALO CC(=O)c1cc(C[N@H+]2CCC[C@H](C(=O)c3ccc4c(c3)OCO4)C2)cs1 ZINC000012571781 570750889 /nfs/dbraw/zinc/75/08/89/570750889.db2.gz LTSLHGGPVCHVAC-INIZCTEOSA-N 1 2 371.458 3.774 50 0 FHAALO COc1ccc(CCC(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000013324194 570776349 /nfs/dbraw/zinc/77/63/49/570776349.db2.gz SDJLPSITUQOTFI-UHFFFAOYSA-N 1 2 372.896 3.626 50 0 FHAALO O=C(NCc1ccc(N2CCOCC2)[nH+]c1)c1ccc(-c2ccccc2)cc1 ZINC000014138584 570808090 /nfs/dbraw/zinc/80/80/90/570808090.db2.gz QLKRUNGAMFXHGV-UHFFFAOYSA-N 1 2 373.456 3.515 50 0 FHAALO COc1ccc2oc(C(=O)N3CC[N@H+](C)C[C@@H]3c3ccccc3)c(C)c2c1 ZINC000014158897 570808976 /nfs/dbraw/zinc/80/89/76/570808976.db2.gz YJVNTCSESIFFHQ-LJQANCHMSA-N 1 2 364.445 3.879 50 0 FHAALO COc1ccc2oc(C(=O)N3CC[N@@H+](C)C[C@@H]3c3ccccc3)c(C)c2c1 ZINC000014158897 570808978 /nfs/dbraw/zinc/80/89/78/570808978.db2.gz YJVNTCSESIFFHQ-LJQANCHMSA-N 1 2 364.445 3.879 50 0 FHAALO O=C(c1cc(-c2ccc(Cl)cc2)[nH]n1)N1CC[NH+](C2CCCCC2)CC1 ZINC000015679402 570842739 /nfs/dbraw/zinc/84/27/39/570842739.db2.gz MVDSMBSSSRMOBK-UHFFFAOYSA-N 1 2 372.900 3.821 50 0 FHAALO COc1ccc(Nc2ncc3c(n2)CC[N@@H+](Cc2cccc(F)c2)C3)cc1 ZINC000015778887 570843933 /nfs/dbraw/zinc/84/39/33/570843933.db2.gz NRSZBFCTBLCRLO-UHFFFAOYSA-N 1 2 364.424 3.926 50 0 FHAALO COc1ccc(Nc2ncc3c(n2)CC[N@H+](Cc2cccc(F)c2)C3)cc1 ZINC000015778887 570843937 /nfs/dbraw/zinc/84/39/37/570843937.db2.gz NRSZBFCTBLCRLO-UHFFFAOYSA-N 1 2 364.424 3.926 50 0 FHAALO CC[C@H](C)CNC(=O)C[N@H+]1Cc2ccccc2O[C@@H](c2ccccc2)C1 ZINC000104301724 570858783 /nfs/dbraw/zinc/85/87/83/570858783.db2.gz QXJJCLHDOFHKPN-LAUBAEHRSA-N 1 2 352.478 3.785 50 0 FHAALO CC[C@H](C)CNC(=O)C[N@@H+]1Cc2ccccc2O[C@@H](c2ccccc2)C1 ZINC000104301724 570858786 /nfs/dbraw/zinc/85/87/86/570858786.db2.gz QXJJCLHDOFHKPN-LAUBAEHRSA-N 1 2 352.478 3.785 50 0 FHAALO Cc1cc(C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)c(C)n1Cc1ccccn1 ZINC000120232620 570861231 /nfs/dbraw/zinc/86/12/31/570861231.db2.gz RKQJSVHPZIQDBX-LJQANCHMSA-N 1 2 363.465 3.639 50 0 FHAALO CCCCn1c2ccccc2[nH+]c1N1CCC[C@@H](C(=O)N[C@H](C)CC)C1 ZINC000105092531 570868046 /nfs/dbraw/zinc/86/80/46/570868046.db2.gz NWGRSTBAGBWOTD-IAGOWNOFSA-N 1 2 356.514 3.968 50 0 FHAALO OCCNc1[nH+]c2ccccc2n1Cc1csc(-c2cccs2)n1 ZINC000047369954 570887008 /nfs/dbraw/zinc/88/70/08/570887008.db2.gz WWSQVBMXBJGDTE-UHFFFAOYSA-N 1 2 356.476 3.674 50 0 FHAALO O=C(C(c1ccccc1)c1ccccc1)N1CC[NH+](Cc2ccco2)CC1 ZINC000019369503 570888061 /nfs/dbraw/zinc/88/80/61/570888061.db2.gz KQVBYSASIQFYPY-UHFFFAOYSA-N 1 2 360.457 3.756 50 0 FHAALO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc2ncsc2c1)c1ccc(F)cc1 ZINC000010656407 570888739 /nfs/dbraw/zinc/88/87/39/570888739.db2.gz DPIKYTHNOCRKEI-QGZVFWFLSA-N 1 2 366.421 3.688 50 0 FHAALO C[C@@H](NC(=O)NCc1cc[nH+]c(N(C)C)c1)c1cccc(C(F)(F)F)c1 ZINC000047612220 570893315 /nfs/dbraw/zinc/89/33/15/570893315.db2.gz UKMPOVBERXELFW-GFCCVEGCSA-N 1 2 366.387 3.727 50 0 FHAALO [NH2+]=c1n(Cc2ccc(Cl)cc2)c2ccccc2n1C[C@H](O)c1ccco1 ZINC000019707039 570899078 /nfs/dbraw/zinc/89/90/78/570899078.db2.gz SLBPOUTXKRGMHU-SFHVURJKSA-N 1 2 367.836 3.951 50 0 FHAALO CC(C)[N@@H+]1CCc2nc3sc(C(=O)NC4CCCCC4)c(N)c3cc2C1 ZINC000019830725 570904381 /nfs/dbraw/zinc/90/43/81/570904381.db2.gz YLKDYYNZHQGXRI-UHFFFAOYSA-N 1 2 372.538 3.708 50 0 FHAALO CC(C)[N@H+]1CCc2nc3sc(C(=O)NC4CCCCC4)c(N)c3cc2C1 ZINC000019830725 570904385 /nfs/dbraw/zinc/90/43/85/570904385.db2.gz YLKDYYNZHQGXRI-UHFFFAOYSA-N 1 2 372.538 3.708 50 0 FHAALO Cn1c2ccccc2n(CCCOc2ccc(Br)cc2)c1=[NH2+] ZINC000019900335 570905852 /nfs/dbraw/zinc/90/58/52/570905852.db2.gz XITKTGZSCZCLNF-UHFFFAOYSA-N 1 2 360.255 3.691 50 0 FHAALO O=C(c1ccc(Br)cc1)[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020264557 570913830 /nfs/dbraw/zinc/91/38/30/570913830.db2.gz GBENPFHLRCFAOS-SFHVURJKSA-N 1 2 374.278 3.748 50 0 FHAALO CCCCCn1c2ccccc2n(C[C@@H](O)COc2cccc(C)c2)c1=[NH2+] ZINC000020292806 570914471 /nfs/dbraw/zinc/91/44/71/570914471.db2.gz FZFXKVXUQPPZJU-GOSISDBHSA-N 1 2 367.493 3.861 50 0 FHAALO CCCCCCOc1ccc(N2C(=O)C[C@H]([NH2+]Cc3ccco3)C2=O)cc1 ZINC000020582449 570920315 /nfs/dbraw/zinc/92/03/15/570920315.db2.gz BHMAQRJQOHDSFC-IBGZPJMESA-N 1 2 370.449 3.660 50 0 FHAALO Fc1ccccc1-c1noc2c1C[N@H+](Cc1ccc3c(c1)OCCO3)CC2 ZINC000020996578 570927379 /nfs/dbraw/zinc/92/73/79/570927379.db2.gz OYVLZGHKGWAYFW-UHFFFAOYSA-N 1 2 366.392 3.810 50 0 FHAALO Fc1ccccc1-c1noc2c1C[N@@H+](Cc1ccc3c(c1)OCCO3)CC2 ZINC000020996578 570927383 /nfs/dbraw/zinc/92/73/83/570927383.db2.gz OYVLZGHKGWAYFW-UHFFFAOYSA-N 1 2 366.392 3.810 50 0 FHAALO Cn1cc[nH+]c1[C@H](NC(=O)[C@@]1(C)CC1(Cl)Cl)c1ccc(Cl)cc1 ZINC000021600934 570931854 /nfs/dbraw/zinc/93/18/54/570931854.db2.gz QSUMDFGICLKQHG-IUODEOHRSA-N 1 2 372.683 3.863 50 0 FHAALO COc1ccc([C@@H](CNC(=O)c2ccc(C(C)=O)s2)[NH+]2CCCC2)cc1 ZINC000021912104 570936361 /nfs/dbraw/zinc/93/63/61/570936361.db2.gz ALNPYSUGIFEODI-QGZVFWFLSA-N 1 2 372.490 3.526 50 0 FHAALO CN1CC[NH+](Cc2ccc(C(=O)c3ccc(Cl)c(Cl)c3)cc2)CC1 ZINC000022027952 570937744 /nfs/dbraw/zinc/93/77/44/570937744.db2.gz WJUBHLPWRJSTSA-UHFFFAOYSA-N 1 2 363.288 3.972 50 0 FHAALO OCCN1CC[NH+]([C@H]2Cc3cc(Cl)ccc3Sc3ccccc32)CC1 ZINC000022043155 570937816 /nfs/dbraw/zinc/93/78/16/570937816.db2.gz BMQLWINJIGEDEK-SFHVURJKSA-N 1 2 374.937 3.698 50 0 FHAALO O=C(c1ccc2c3c(cccc31)CC2)N1CC[NH+](Cc2cccs2)CC1 ZINC000022692055 570948269 /nfs/dbraw/zinc/94/82/69/570948269.db2.gz FLALGAKTWZDVRB-UHFFFAOYSA-N 1 2 362.498 3.958 50 0 FHAALO CCc1[nH+]c2ccccc2n1CC(=O)N[C@@H](C)c1ccc(OC)c(F)c1 ZINC000024078904 570971399 /nfs/dbraw/zinc/97/13/99/570971399.db2.gz KPANTDZSGUTTBW-ZDUSSCGKSA-N 1 2 355.413 3.624 50 0 FHAALO S=c1n(Cc2ccccc2)ccn1C[NH+]1CCN(c2ccccc2)CC1 ZINC000024234145 570973156 /nfs/dbraw/zinc/97/31/56/570973156.db2.gz ODKVGOOWUNZBLR-UHFFFAOYSA-N 1 2 364.518 3.847 50 0 FHAALO C[C@@H]1Oc2c(cccc2C(=O)NCc2ccccc2Cn2cc[nH+]c2)[C@@H]1C ZINC000025666306 570998572 /nfs/dbraw/zinc/99/85/72/570998572.db2.gz LLDSMCTYSIALMN-CVEARBPZSA-N 1 2 361.445 3.746 50 0 FHAALO C[C@H](c1nc(-c2ccco2)no1)[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000025946840 571001411 /nfs/dbraw/zinc/00/14/11/571001411.db2.gz JUADOSCLYNNPRF-CQSZACIVSA-N 1 2 351.406 3.986 50 0 FHAALO CN(Cc1cccc(Cl)c1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000026303424 571003921 /nfs/dbraw/zinc/00/39/21/571003921.db2.gz OGHWUMQJIJHGEY-UHFFFAOYSA-N 1 2 358.873 3.677 50 0 FHAALO C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+](C)Cc1cnn(C)c1 ZINC000027539545 571013421 /nfs/dbraw/zinc/01/34/21/571013421.db2.gz KFZPQZIPRFLBHH-JTQLQIEISA-N 1 2 374.794 3.551 50 0 FHAALO C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@@H+](C)Cc1cnn(C)c1 ZINC000027539545 571013424 /nfs/dbraw/zinc/01/34/24/571013424.db2.gz KFZPQZIPRFLBHH-JTQLQIEISA-N 1 2 374.794 3.551 50 0 FHAALO C[N@@H+]1CCc2nc(NC(=O)c3cc(-c4ccc(Cl)cc4)on3)sc2C1 ZINC000027988993 571024977 /nfs/dbraw/zinc/02/49/77/571024977.db2.gz QVKAEXUEPJONOZ-UHFFFAOYSA-N 1 2 374.853 3.692 50 0 FHAALO C[N@H+]1CCc2nc(NC(=O)c3cc(-c4ccc(Cl)cc4)on3)sc2C1 ZINC000027988993 571024979 /nfs/dbraw/zinc/02/49/79/571024979.db2.gz QVKAEXUEPJONOZ-UHFFFAOYSA-N 1 2 374.853 3.692 50 0 FHAALO O[C@H](c1ccccc1)C1CC[NH+](Cc2nc(-c3cccs3)no2)CC1 ZINC000029477465 571040006 /nfs/dbraw/zinc/04/00/06/571040006.db2.gz RUYLNTGVGATJSG-GOSISDBHSA-N 1 2 355.463 3.744 50 0 FHAALO CC(C)(C)c1nnc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)s1 ZINC000072310095 571071529 /nfs/dbraw/zinc/07/15/29/571071529.db2.gz AHCSODAKBVMGAV-CQSZACIVSA-N 1 2 362.474 3.578 50 0 FHAALO CC(C)(C)c1nnc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)s1 ZINC000072310095 571071531 /nfs/dbraw/zinc/07/15/31/571071531.db2.gz AHCSODAKBVMGAV-CQSZACIVSA-N 1 2 362.474 3.578 50 0 FHAALO Cc1cccc(N2CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c3ccccc3)CC2)c1C ZINC000034684887 571073658 /nfs/dbraw/zinc/07/36/58/571073658.db2.gz OMYIVZZQDVTDRA-PMACEKPBSA-N 1 2 365.521 3.691 50 0 FHAALO C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000014110199 571097574 /nfs/dbraw/zinc/09/75/74/571097574.db2.gz DVZHCVANKATPKQ-WDEREUQCSA-N 1 2 366.330 3.889 50 0 FHAALO C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000014110199 571097576 /nfs/dbraw/zinc/09/75/76/571097576.db2.gz DVZHCVANKATPKQ-WDEREUQCSA-N 1 2 366.330 3.889 50 0 FHAALO Cc1cn2cc(NC(=O)c3cc(C)n(CC(F)(F)F)c3C)ccc2[nH+]1 ZINC000069493859 571098763 /nfs/dbraw/zinc/09/87/63/571098763.db2.gz HASPKXADWHZAQY-UHFFFAOYSA-N 1 2 350.344 3.876 50 0 FHAALO O=C(Nc1ccccc1)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000012807384 571111272 /nfs/dbraw/zinc/11/12/72/571111272.db2.gz IUZVKRFRSTUSCO-UHFFFAOYSA-N 1 2 359.857 3.569 50 0 FHAALO CCC[C@H]1NC(=O)N(C[N@H+](C)[C@@H](c2ccccc2)c2ccc(F)cc2)C1=O ZINC000012815681 571115537 /nfs/dbraw/zinc/11/55/37/571115537.db2.gz QLZNOLZVSRRYIY-MOPGFXCFSA-N 1 2 369.440 3.525 50 0 FHAALO CCC[C@H]1NC(=O)N(C[N@@H+](C)[C@@H](c2ccccc2)c2ccc(F)cc2)C1=O ZINC000012815681 571115538 /nfs/dbraw/zinc/11/55/38/571115538.db2.gz QLZNOLZVSRRYIY-MOPGFXCFSA-N 1 2 369.440 3.525 50 0 FHAALO Cc1cc2c(cc1C)CN(c1cccc(C(=O)NCc3ccc[nH+]c3N)c1)C2 ZINC000244748623 571115703 /nfs/dbraw/zinc/11/57/03/571115703.db2.gz OLGAMOSGKIWOTB-UHFFFAOYSA-N 1 2 372.472 3.731 50 0 FHAALO O=C(Cc1ccccc1)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000015880240 571140681 /nfs/dbraw/zinc/14/06/81/571140681.db2.gz ULNIXDJXVAENDT-UHFFFAOYSA-N 1 2 363.486 3.883 50 0 FHAALO O=C(Cc1ccccc1)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000015880240 571140682 /nfs/dbraw/zinc/14/06/82/571140682.db2.gz ULNIXDJXVAENDT-UHFFFAOYSA-N 1 2 363.486 3.883 50 0 FHAALO CC(C)c1[nH+]c2cc(NC(=O)C[C@H]3NC(=O)c4ccccc43)ccc2n1C ZINC000072403842 571141255 /nfs/dbraw/zinc/14/12/55/571141255.db2.gz JIIMZQZJNUMXJQ-MRXNPFEDSA-N 1 2 362.433 3.510 50 0 FHAALO Cc1[nH+]c2ccccc2n1[C@H]1CCN(C(=O)c2cccc(-n3cccn3)c2)C1 ZINC000575414682 571148840 /nfs/dbraw/zinc/14/88/40/571148840.db2.gz TZHKVVYERJAQNG-IBGZPJMESA-N 1 2 371.444 3.618 50 0 FHAALO COc1nc2ccccc2cc1CN1CCc2[nH+]c[nH]c2[C@H]1c1ccncc1 ZINC000067967443 571152468 /nfs/dbraw/zinc/15/24/68/571152468.db2.gz PRLRSDICXZURFM-OAQYLSRUSA-N 1 2 371.444 3.509 50 0 FHAALO CCCC[C@@H]1C=CCN1C(=O)c1cc(C[N@H+](C)Cc2ccccc2)on1 ZINC000067983208 571152795 /nfs/dbraw/zinc/15/27/95/571152795.db2.gz HOIARZDTMHJDCK-GOSISDBHSA-N 1 2 353.466 3.877 50 0 FHAALO CCCC[C@@H]1C=CCN1C(=O)c1cc(C[N@@H+](C)Cc2ccccc2)on1 ZINC000067983208 571152797 /nfs/dbraw/zinc/15/27/97/571152797.db2.gz HOIARZDTMHJDCK-GOSISDBHSA-N 1 2 353.466 3.877 50 0 FHAALO CC1CC[NH+](Cn2nc(-c3cccnc3)n(Cc3ccco3)c2=S)CC1 ZINC000012943005 571153208 /nfs/dbraw/zinc/15/32/08/571153208.db2.gz NJAZMUZLOFWMJZ-UHFFFAOYSA-N 1 2 369.494 3.807 50 0 FHAALO Cc1ccc2[nH]c(N3CCC[C@@H](C(=O)NCc4cccc(C)c4)C3)[nH+]c2c1 ZINC000033072026 571153765 /nfs/dbraw/zinc/15/37/65/571153765.db2.gz ZLAIXANBENFMOM-GOSISDBHSA-N 1 2 362.477 3.713 50 0 FHAALO Cc1ccc2[nH+]c(N3CCC[C@@H](C(=O)NCc4cccc(C)c4)C3)[nH]c2c1 ZINC000033072026 571153766 /nfs/dbraw/zinc/15/37/66/571153766.db2.gz ZLAIXANBENFMOM-GOSISDBHSA-N 1 2 362.477 3.713 50 0 FHAALO CCc1ccc(CNC(=O)[C@@H]2CCCN(c3[nH]c4ccccc4[nH+]3)C2)cc1 ZINC000033071940 571153816 /nfs/dbraw/zinc/15/38/16/571153816.db2.gz QDFNFGSULAOBTK-GOSISDBHSA-N 1 2 362.477 3.658 50 0 FHAALO Cc1cc(N2CCOCC2)[nH+]c2ccc(NC(=O)Cc3cccs3)cc12 ZINC000033084505 571154330 /nfs/dbraw/zinc/15/43/30/571154330.db2.gz LPLSGCSWUYPNDG-UHFFFAOYSA-N 1 2 367.474 3.623 50 0 FHAALO CCn1c2ccccc2[nH+]c1N1CCN(C(=O)Nc2ccccc2C)CC1 ZINC000033106432 571155704 /nfs/dbraw/zinc/15/57/04/571155704.db2.gz JRNXOWWVCDAKLO-UHFFFAOYSA-N 1 2 363.465 3.719 50 0 FHAALO CC(=O)Nc1ccc(-c2[nH+]ccn2[C@@H](C)c2ccc(-n3cncn3)cc2)cc1 ZINC000071714779 571163802 /nfs/dbraw/zinc/16/38/02/571163802.db2.gz QOCXVZANLFQBFI-HNNXBMFYSA-N 1 2 372.432 3.699 50 0 FHAALO O=C(C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1)NCc1ccco1 ZINC000035325911 571165926 /nfs/dbraw/zinc/16/59/26/571165926.db2.gz XRKOYRQFMUPXKE-GOSISDBHSA-N 1 2 358.488 3.667 50 0 FHAALO O=C(C[N@H+]1CCc2sccc2[C@@H]1c1cccs1)NCc1ccco1 ZINC000035325911 571165928 /nfs/dbraw/zinc/16/59/28/571165928.db2.gz XRKOYRQFMUPXKE-GOSISDBHSA-N 1 2 358.488 3.667 50 0 FHAALO Nc1ccc(-c2ccc(-c3nc(CCCc4ccccc4)no3)cn2)c[nH+]1 ZINC000072145342 571172965 /nfs/dbraw/zinc/17/29/65/571172965.db2.gz WHGUBDKGGNMPIX-UHFFFAOYSA-N 1 2 357.417 3.951 50 0 FHAALO Cc1cc(NC(=O)C[N@H+]2CCC[C@@H](Nc3ccc(C(C)C)cc3)C2)no1 ZINC000072149099 571174130 /nfs/dbraw/zinc/17/41/30/571174130.db2.gz USZTWINJRAODMG-GOSISDBHSA-N 1 2 356.470 3.621 50 0 FHAALO Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H](Nc3ccc(C(C)C)cc3)C2)no1 ZINC000072149099 571174133 /nfs/dbraw/zinc/17/41/33/571174133.db2.gz USZTWINJRAODMG-GOSISDBHSA-N 1 2 356.470 3.621 50 0 FHAALO Cn1cc[nH+]c1[C@H](NC(=O)COc1cccc2ccccc21)c1ccccc1 ZINC000012530319 571174897 /nfs/dbraw/zinc/17/48/97/571174897.db2.gz KXETUONTIZQDQN-JOCHJYFZSA-N 1 2 371.440 3.858 50 0 FHAALO Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CCN(c2ccccc2F)CC1 ZINC000012549171 571178864 /nfs/dbraw/zinc/17/88/64/571178864.db2.gz ODSIVTYRUCQOBF-KRWDZBQOSA-N 1 2 355.457 3.592 50 0 FHAALO C[N@H+](CC(=O)Nc1ccccc1F)Cc1ccccc1N1CCCCC1 ZINC000012562090 571182840 /nfs/dbraw/zinc/18/28/40/571182840.db2.gz ZFCSOWCYBGVHOC-UHFFFAOYSA-N 1 2 355.457 3.887 50 0 FHAALO C[N@@H+](CC(=O)Nc1ccccc1F)Cc1ccccc1N1CCCCC1 ZINC000012562090 571182842 /nfs/dbraw/zinc/18/28/42/571182842.db2.gz ZFCSOWCYBGVHOC-UHFFFAOYSA-N 1 2 355.457 3.887 50 0 FHAALO Cc1ccc(C(=O)CCC(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1C ZINC000013003533 571187645 /nfs/dbraw/zinc/18/76/45/571187645.db2.gz AAXNXSGNANZOFE-UHFFFAOYSA-N 1 2 365.477 3.578 50 0 FHAALO COc1ccccc1[C@H](CNC(=O)c1ccc(C(C)=O)s1)[NH+]1CCCC1 ZINC000013010403 571188235 /nfs/dbraw/zinc/18/82/35/571188235.db2.gz BJMUPUDDKIOKBT-INIZCTEOSA-N 1 2 372.490 3.526 50 0 FHAALO Cc1cccnc1C[NH+]1CCN(C(=O)c2ccc3sccc3c2)CC1 ZINC000072421807 571193346 /nfs/dbraw/zinc/19/33/46/571193346.db2.gz ZPOFPMGVASZXJA-UHFFFAOYSA-N 1 2 351.475 3.563 50 0 FHAALO Cc1cccnc1C[NH+]1CCN(C(=O)c2ccc(-c3ccco3)cc2)CC1 ZINC000072423385 571193597 /nfs/dbraw/zinc/19/35/97/571193597.db2.gz YJQDLAVLTUYWJB-UHFFFAOYSA-N 1 2 361.445 3.608 50 0 FHAALO CC(C)(O)CCc1cccc(C(=O)N2CCCC[C@@H]2CCn2cc[nH+]c2)c1 ZINC000072426983 571194470 /nfs/dbraw/zinc/19/44/70/571194470.db2.gz ZGHKOCRXKLXBCL-HXUWFJFHSA-N 1 2 369.509 3.672 50 0 FHAALO Cc1ccccc1NC(=O)Cn1cc[nH+]c1-c1cc2c(cc1Cl)OCO2 ZINC000072430646 571195401 /nfs/dbraw/zinc/19/54/01/571195401.db2.gz ARCGOVKNBCTLPY-UHFFFAOYSA-N 1 2 369.808 3.879 50 0 FHAALO Cn1cc[nH+]c1[C@H](NC(=O)CCc1ccc(-c2cccs2)o1)C1CC1 ZINC000299788456 571200025 /nfs/dbraw/zinc/20/00/25/571200025.db2.gz SRFYHJZFCCQBFZ-GOSISDBHSA-N 1 2 355.463 3.942 50 0 FHAALO COc1ccc(C2(C(=O)N3CCC[C@@H](c4[nH]cc[nH+]4)C3)CCCC2)cc1 ZINC000075533726 571203506 /nfs/dbraw/zinc/20/35/06/571203506.db2.gz UOFFPIICSOCJFB-MRXNPFEDSA-N 1 2 353.466 3.636 50 0 FHAALO CC(=O)Nc1ccc(-c2[nH+]ccn2Cc2nn(C)c3ccc(C)cc23)cc1 ZINC000077298718 571206785 /nfs/dbraw/zinc/20/67/85/571206785.db2.gz UIVAYNIIXKITQN-UHFFFAOYSA-N 1 2 359.433 3.752 50 0 FHAALO Cc1nc([C@@H](C)[N@H+](C)Cc2cc(=O)n3cc(Cl)ccc3n2)c(C)s1 ZINC000077453220 571212010 /nfs/dbraw/zinc/21/20/10/571212010.db2.gz GVZHMZIFAPXLAM-SNVBAGLBSA-N 1 2 362.886 3.614 50 0 FHAALO Cc1nc([C@@H](C)[N@@H+](C)Cc2cc(=O)n3cc(Cl)ccc3n2)c(C)s1 ZINC000077453220 571212011 /nfs/dbraw/zinc/21/20/11/571212011.db2.gz GVZHMZIFAPXLAM-SNVBAGLBSA-N 1 2 362.886 3.614 50 0 FHAALO Cc1cc(-c2[nH+]ccn2-c2ccc3c(c2)nc([C@@H](C)O)n3C)cc(C)c1O ZINC000077522475 571214514 /nfs/dbraw/zinc/21/45/14/571214514.db2.gz PHPQIKQVLSIMNM-CQSZACIVSA-N 1 2 362.433 3.802 50 0 FHAALO CN(Cc1cccc(-n2cccn2)c1)C(=O)c1cccc(-c2[nH]cc[nH+]2)c1 ZINC000077540274 571215113 /nfs/dbraw/zinc/21/51/13/571215113.db2.gz JUBFIWHEOZQNPE-UHFFFAOYSA-N 1 2 357.417 3.535 50 0 FHAALO C[NH+]1CCN(c2nnc(SCc3ccc(C(F)(F)F)cc3)s2)CC1 ZINC000023139745 571218290 /nfs/dbraw/zinc/21/82/90/571218290.db2.gz RVIYRJZESVWXJU-UHFFFAOYSA-N 1 2 374.457 3.601 50 0 FHAALO C[C@@H](NC(=O)Nc1cccc(-c2c[nH]c[nH+]2)c1)c1nncn1C1CCCC1 ZINC000426409061 571221279 /nfs/dbraw/zinc/22/12/79/571221279.db2.gz RTSRIQZQPPRBFJ-CYBMUJFWSA-N 1 2 365.441 3.666 50 0 FHAALO Cc1cccc(NC(=O)N[C@@H](C)[C@@H](c2cccs2)[NH+]2CCOCC2)c1 ZINC000023182645 571225620 /nfs/dbraw/zinc/22/56/20/571225620.db2.gz ZGNNSNHCOUGADA-YJBOKZPZSA-N 1 2 359.495 3.640 50 0 FHAALO CC(=O)c1cc(CC(=O)N2CCC[C@H](c3[nH+]ccn3CC3CC3)C2)cs1 ZINC000082092716 571227890 /nfs/dbraw/zinc/22/78/90/571227890.db2.gz VSBNOSDNJJETIS-KRWDZBQOSA-N 1 2 371.506 3.506 50 0 FHAALO Cc1ccccc1OCCCN(C)C(=O)c1ccc(-c2[nH+]ccn2C)cc1 ZINC000426490003 571227980 /nfs/dbraw/zinc/22/79/80/571227980.db2.gz GSUXWROSVGNOFX-UHFFFAOYSA-N 1 2 363.461 3.937 50 0 FHAALO Cc1cn2cc(C(=O)NCCc3c(C)[nH]c4c3cc(F)cc4F)ccc2[nH+]1 ZINC000082134430 571229041 /nfs/dbraw/zinc/22/90/41/571229041.db2.gz MDATWZCDQLBTBG-UHFFFAOYSA-N 1 2 368.387 3.683 50 0 FHAALO COCC[NH+]1CCN(C(=O)c2cccc(-c3ccc4occc4c3)c2)CC1 ZINC000426513461 571229328 /nfs/dbraw/zinc/22/93/28/571229328.db2.gz ANBOKPQDMMVSRN-UHFFFAOYSA-N 1 2 364.445 3.504 50 0 FHAALO Fc1cccc(Cl)c1Cn1ncnc1[C@H](c1cccnc1)[NH+]1CCCC1 ZINC000091462349 571239862 /nfs/dbraw/zinc/23/98/62/571239862.db2.gz RDROMBLHWBBOLZ-SFHVURJKSA-N 1 2 371.847 3.699 50 0 FHAALO CCC[C@H]1NC(=O)N(C[N@H+](C)[C@H](c2ccccc2)c2ccc(F)cc2)C1=O ZINC000036400902 571253432 /nfs/dbraw/zinc/25/34/32/571253432.db2.gz QLZNOLZVSRRYIY-RTBURBONSA-N 1 2 369.440 3.525 50 0 FHAALO CCC[C@H]1NC(=O)N(C[N@@H+](C)[C@H](c2ccccc2)c2ccc(F)cc2)C1=O ZINC000036400902 571253433 /nfs/dbraw/zinc/25/34/33/571253433.db2.gz QLZNOLZVSRRYIY-RTBURBONSA-N 1 2 369.440 3.525 50 0 FHAALO O=C(NC[C@@H]1CCCO1)c1ccc(-c2ccc(N3CCCCC3)[nH+]c2)cc1 ZINC000065178188 571256191 /nfs/dbraw/zinc/25/61/91/571256191.db2.gz DANMUKDUMIRBHH-FQEVSTJZSA-N 1 2 365.477 3.648 50 0 FHAALO CCOc1ccccc1NC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000013324821 571270736 /nfs/dbraw/zinc/27/07/36/571270736.db2.gz OTHNMLHAMBGGLD-UHFFFAOYSA-N 1 2 355.438 3.562 50 0 FHAALO COCCOc1cccc(CNc2cc[nH+]c(OCC(F)(F)F)c2)c1 ZINC000252491985 571280916 /nfs/dbraw/zinc/28/09/16/571280916.db2.gz MARNCFPQETWQPF-UHFFFAOYSA-N 1 2 356.344 3.660 50 0 FHAALO COc1ccc(C[N@@H+]2CCN(c3ccc(C)c(Cl)c3)C(=O)[C@H]2C)cc1 ZINC000037520423 571286692 /nfs/dbraw/zinc/28/66/92/571286692.db2.gz NDVYKHHTCSHCLV-OAHLLOKOSA-N 1 2 358.869 3.894 50 0 FHAALO COc1ccc(C[N@H+]2CCN(c3ccc(C)c(Cl)c3)C(=O)[C@H]2C)cc1 ZINC000037520423 571286694 /nfs/dbraw/zinc/28/66/94/571286694.db2.gz NDVYKHHTCSHCLV-OAHLLOKOSA-N 1 2 358.869 3.894 50 0 FHAALO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1c(O)cc(F)cc1F ZINC000066042437 571289720 /nfs/dbraw/zinc/28/97/20/571289720.db2.gz LOINTKZTHYTBKA-UHFFFAOYSA-N 1 2 360.404 3.586 50 0 FHAALO O=C(NC[C@H](c1ccco1)[NH+]1CCSCC1)c1ccc(Cl)s1 ZINC000253406503 571312260 /nfs/dbraw/zinc/31/22/60/571312260.db2.gz UQWXFEKCASYFLI-LLVKDONJSA-N 1 2 356.900 3.514 50 0 FHAALO O=C(NC[C@@H](c1ccco1)[NH+]1CCSCC1)c1ccc(Cl)s1 ZINC000253406506 571312264 /nfs/dbraw/zinc/31/22/64/571312264.db2.gz UQWXFEKCASYFLI-NSHDSACASA-N 1 2 356.900 3.514 50 0 FHAALO O=C(C[C@H](Cn1cccc1)c1ccc(Cl)cc1)NCCCn1cc[nH+]c1 ZINC000253413344 571320034 /nfs/dbraw/zinc/32/00/34/571320034.db2.gz UNYZJCDUXCCZHO-GOSISDBHSA-N 1 2 370.884 3.718 50 0 FHAALO O=C(Nc1ccc(Cl)cn1)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000079075933 571326880 /nfs/dbraw/zinc/32/68/80/571326880.db2.gz FEKQNECXLDUBMO-FUHWJXTLSA-N 1 2 367.840 3.982 50 0 FHAALO FC(F)COc1cccc(C[NH2+]Cc2csc(-c3ccccn3)n2)n1 ZINC000093970058 571327386 /nfs/dbraw/zinc/32/73/86/571327386.db2.gz NQXJVSCGFPVUFT-UHFFFAOYSA-N 1 2 362.405 3.534 50 0 FHAALO Cc1ccc2nc(Cl)c3cc(C(=O)N4CC[NH+](C)CC4)sc3c2c1 ZINC000020321200 571328765 /nfs/dbraw/zinc/32/87/65/571328765.db2.gz OWMJYALCUXXBBW-UHFFFAOYSA-N 1 2 359.882 3.799 50 0 FHAALO Cc1cccc(NC(=O)C[N@@H+](C)Cc2cccc(OC(C)(C)C)n2)c1C ZINC000095454138 571329941 /nfs/dbraw/zinc/32/99/41/571329941.db2.gz NICRBFBLTFGRPU-UHFFFAOYSA-N 1 2 355.482 3.946 50 0 FHAALO Cc1cccc(NC(=O)C[N@H+](C)Cc2cccc(OC(C)(C)C)n2)c1C ZINC000095454138 571329942 /nfs/dbraw/zinc/32/99/42/571329942.db2.gz NICRBFBLTFGRPU-UHFFFAOYSA-N 1 2 355.482 3.946 50 0 FHAALO CC(C)(C)OC(=O)N1CCC[N@H+](Cc2nc3cc(Cl)ccc3o2)CC1 ZINC000021155694 571333345 /nfs/dbraw/zinc/33/33/45/571333345.db2.gz AQVKJSCPDBVLAM-UHFFFAOYSA-N 1 2 365.861 3.924 50 0 FHAALO CC(C)(C)OC(=O)N1CCC[N@@H+](Cc2nc3cc(Cl)ccc3o2)CC1 ZINC000021155694 571333346 /nfs/dbraw/zinc/33/33/46/571333346.db2.gz AQVKJSCPDBVLAM-UHFFFAOYSA-N 1 2 365.861 3.924 50 0 FHAALO CC(C)c1nc([C@H]2CCCCCN2C(=O)Cc2cn3ccccc3[nH+]2)no1 ZINC000096001242 571333763 /nfs/dbraw/zinc/33/37/63/571333763.db2.gz ZLLKIIBLBYIWIK-MRXNPFEDSA-N 1 2 367.453 3.527 50 0 FHAALO COC(=O)C[C@@H](c1ccc(SC)cc1)c1c2[nH]s[nH+]c-2ccc1=O ZINC000096230830 571334912 /nfs/dbraw/zinc/33/49/12/571334912.db2.gz WYCMSYOJHGKZKQ-LBPRGKRZSA-N 1 2 360.460 3.814 50 0 FHAALO O=C(NC[C@@H]1CCCN1c1cccc[nH+]1)C(c1ccccc1)c1ccccc1 ZINC000225630182 571337560 /nfs/dbraw/zinc/33/75/60/571337560.db2.gz MPGRXWMTSUOUJT-NRFANRHFSA-N 1 2 371.484 3.999 50 0 FHAALO C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)c2ccc[nH]c2=S)CC1 ZINC000031214754 571351572 /nfs/dbraw/zinc/35/15/72/571351572.db2.gz FAYTWWRJANNIAR-CYBMUJFWSA-N 1 2 361.898 3.917 50 0 FHAALO Cc1ccc(C)n1-c1ccc[nH+]c1N1CCC(C(=O)NC2CCCC2)CC1 ZINC000033034468 930650351 /nfs/dbraw/zinc/65/03/51/930650351.db2.gz LXGZKZCEMIKFGZ-UHFFFAOYSA-N 1 2 366.509 3.764 50 0 FHAALO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N([C@@H](C)c1ccco1)C1CC1 ZINC000119050600 938582307 /nfs/dbraw/zinc/58/23/07/938582307.db2.gz WHTMJIAWDHIZFX-HNNXBMFYSA-N 1 2 370.453 3.577 50 0 FHAALO O=C(NCCc1csc2ccccc12)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000177422740 940188851 /nfs/dbraw/zinc/18/88/51/940188851.db2.gz CHDTXVURZNGMHC-INIZCTEOSA-N 1 2 354.479 3.515 50 0 FHAALO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)COc1ccc(Cl)cc1C ZINC000225490119 209816100 /nfs/dbraw/zinc/81/61/00/209816100.db2.gz FYIKXNGUWMZGQZ-MRXNPFEDSA-N 1 2 361.873 3.997 50 0 FHAALO Cc1ccc(C(=O)N[C@@H](C)[C@@H](c2cccs2)[NH+]2CCOCC2)cc1C ZINC000023180953 209708667 /nfs/dbraw/zinc/70/86/67/209708667.db2.gz UASPYWVWLKQUQL-LPHOPBHVSA-N 1 2 358.507 3.557 50 0 FHAALO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1nc2cc(Cl)ccc2n1C ZINC000106528141 209274452 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FHAALO O=C(CCC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1)c1cccs1 ZINC000096536639 209154789 /nfs/dbraw/zinc/15/47/89/209154789.db2.gz VBULTIPWCLWIFL-YWEYNIOJSA-N 1 2 368.502 3.569 50 0 FHAALO CC(C)c1ccc(NC(=O)N2CC[N@H+](Cc3ccoc3)[C@@H](CCO)C2)cc1 ZINC000096160810 209127651 /nfs/dbraw/zinc/12/76/51/209127651.db2.gz UHHAAYKJMOVSKZ-FQEVSTJZSA-N 1 2 371.481 3.504 50 0 FHAALO CC(C)c1ccc(NC(=O)N2CC[N@@H+](Cc3ccoc3)[C@@H](CCO)C2)cc1 ZINC000096160810 209127654 /nfs/dbraw/zinc/12/76/54/209127654.db2.gz UHHAAYKJMOVSKZ-FQEVSTJZSA-N 1 2 371.481 3.504 50 0 FHAALO O=C(Nc1ccccc1C1CC1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000096161307 209128183 /nfs/dbraw/zinc/12/81/83/209128183.db2.gz FYVPDOSZNOVUOX-UHFFFAOYSA-N 1 2 365.477 3.793 50 0 FHAALO Cc1c2cc(Cl)ccc2[nH]c1C(=O)N1CCC(c2[nH+]ccn2C)CC1 ZINC000096139388 209120164 /nfs/dbraw/zinc/12/01/64/209120164.db2.gz VSMBKMQWNYTIRD-UHFFFAOYSA-N 1 2 356.857 3.883 50 0 FHAALO CCCc1[nH+]c2ccccc2n1C[C@H](O)COc1ccc(C(C)=O)cc1 ZINC000004094506 207001010 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/nfs/dbraw/zinc/22/48/33/132224833.db2.gz MNXDKBRQBJSCTA-AWEZNQCLSA-N 1 2 361.848 3.628 50 0 FHAALO C[C@@H](NC(=O)[C@H](C)[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccccc1 ZINC000096490420 132225247 /nfs/dbraw/zinc/22/52/47/132225247.db2.gz RXERZDIWSHLRFW-SJORKVTESA-N 1 2 371.912 3.728 50 0 FHAALO Nc1nc(N2CCc3cccc(Br)c3C2)[nH+]c2ccccc12 ZINC000253417114 132293759 /nfs/dbraw/zinc/29/37/59/132293759.db2.gz VACXRARHJCQWQK-UHFFFAOYSA-N 1 2 355.239 3.537 50 0 FHAALO Cc1cc(N2CCOCC2)[nH+]c2ccc(NC(=O)c3cccc(F)c3)cc12 ZINC000003649796 132385636 /nfs/dbraw/zinc/38/56/36/132385636.db2.gz DEOQTYTYPCRCGR-UHFFFAOYSA-N 1 2 365.408 3.771 50 0 FHAALO O=C(/C=C\c1ccc(Cl)c(Cl)c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000033294557 132931750 /nfs/dbraw/zinc/93/17/50/132931750.db2.gz LQAGXOCTMREKOO-ALCCZGGFSA-N 1 2 362.260 3.750 50 0 FHAALO O=C(NCC1CCN(c2cccc[nH+]2)CC1)c1cccc(C(F)(F)F)c1 ZINC000043975941 136121414 /nfs/dbraw/zinc/12/14/14/136121414.db2.gz FFQOHVVIJPZOJG-UHFFFAOYSA-N 1 2 363.383 3.747 50 0 FHAALO 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ZINC000426415327 263582888 /nfs/dbraw/zinc/58/28/88/263582888.db2.gz KUXGZJBWRNZZLJ-UHFFFAOYSA-N 1 2 357.523 3.746 50 0 FHAALO CCCN(C)C(=O)c1csc2c1CC[N@@H+](Cc1ccc(CC)cn1)C2 ZINC000426415327 263582891 /nfs/dbraw/zinc/58/28/91/263582891.db2.gz KUXGZJBWRNZZLJ-UHFFFAOYSA-N 1 2 357.523 3.746 50 0 FHAALO C(=C/c1ccccc1)\C[NH+]1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000019836054 518370936 /nfs/dbraw/zinc/37/09/36/518370936.db2.gz QICYNPDJGFRWPE-XBXARRHUSA-N 1 2 366.490 3.629 50 0 FHAALO CCOc1cc(C[NH+]2CCN(Cc3ccccc3F)CC2)ccc1OC ZINC000019842407 520700583 /nfs/dbraw/zinc/70/05/83/520700583.db2.gz PXJGGLRGLGXUSW-UHFFFAOYSA-N 1 2 358.457 3.551 50 0 FHAALO CCOc1cc(CN2CC[NH+](Cc3ccccc3F)CC2)ccc1OC ZINC000019842407 520700592 /nfs/dbraw/zinc/70/05/92/520700592.db2.gz PXJGGLRGLGXUSW-UHFFFAOYSA-N 1 2 358.457 3.551 50 0 FHAALO CCOc1ccc(F)c(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)c1F ZINC000089768791 521018459 /nfs/dbraw/zinc/01/84/59/521018459.db2.gz GSCMAQCEWQCHNF-UHFFFAOYSA-N 1 2 361.323 3.941 50 0 FHAALO 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352.369 3.957 50 0 FHAALO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)C1(c2cccc(F)c2)CCC1 ZINC000079255864 526788925 /nfs/dbraw/zinc/78/89/25/526788925.db2.gz VJZISESCXHFWLI-UHFFFAOYSA-N 1 2 367.468 3.949 50 0 FHAALO Cc1[nH]c2c(cc(C)cc2C)c1CC(=O)NCCSCc1[nH]c[nH+]c1C ZINC000091445162 527216335 /nfs/dbraw/zinc/21/63/35/527216335.db2.gz FFHNZGYUSOTENG-UHFFFAOYSA-N 1 2 370.522 3.717 50 0 FHAALO CCCc1c[nH+]c(C)nc1N1CCC[C@H](Nc2ccc3c(c2)OCCO3)C1 ZINC000072157991 535437249 /nfs/dbraw/zinc/43/72/49/535437249.db2.gz JRYILDYGQXFUCA-SFHVURJKSA-N 1 2 368.481 3.590 50 0 FHAALO CCc1c(C)[nH+]c(C)nc1N1CCC[C@@]2(CCC(=O)N(C3CCCC3)C2)C1 ZINC000077471463 536069388 /nfs/dbraw/zinc/06/93/88/536069388.db2.gz ZFHLEPDUYXRXAX-JOCHJYFZSA-N 1 2 370.541 3.807 50 0 FHAALO CC[C@H](C)Sc1ncc(C[N@H+](C)Cc2cnc3ccccc3n2)cn1 ZINC000216076482 568104274 /nfs/dbraw/zinc/10/42/74/568104274.db2.gz SZMAGPSNBLSVLE-AWEZNQCLSA-N 1 2 353.495 3.942 50 0 FHAALO CC[C@H](C)Sc1ncc(C[N@@H+](C)Cc2cnc3ccccc3n2)cn1 ZINC000216076482 568104275 /nfs/dbraw/zinc/10/42/75/568104275.db2.gz SZMAGPSNBLSVLE-AWEZNQCLSA-N 1 2 353.495 3.942 50 0 FHAALO c1cc([C@@H]2CCCCO2)sc1C[NH+]1CCN(Cc2ccccn2)CC1 ZINC000216178599 568110055 /nfs/dbraw/zinc/11/00/55/568110055.db2.gz HGAJAIVEHPFOFT-IBGZPJMESA-N 1 2 357.523 3.703 50 0 FHAALO c1cc([C@@H]2CCCCO2)sc1CN1CC[NH+](Cc2ccccn2)CC1 ZINC000216178599 568110056 /nfs/dbraw/zinc/11/00/56/568110056.db2.gz HGAJAIVEHPFOFT-IBGZPJMESA-N 1 2 357.523 3.703 50 0 FHAALO Fc1ccccc1-c1ccc(CN2CC[NH+](Cc3ccccn3)CC2)o1 ZINC000216425191 568122810 /nfs/dbraw/zinc/12/28/10/568122810.db2.gz QTMQQUSISILPTJ-UHFFFAOYSA-N 1 2 351.425 3.799 50 0 FHAALO C(=C/c1ccccc1)\C[NH+]1CCN(Cc2ccc(Cn3cccn3)cc2)CC1 ZINC000216475755 568124840 /nfs/dbraw/zinc/12/48/40/568124840.db2.gz MORSGZOFGAVIBH-XBXARRHUSA-N 1 2 372.516 3.762 50 0 FHAALO Cn1cc[nH+]c1[C@@H](NC(=O)CCCCCn1cccc1)c1ccccc1 ZINC000604418709 568276420 /nfs/dbraw/zinc/27/64/20/568276420.db2.gz NYVDLDUGRWCIAX-FQEVSTJZSA-N 1 2 350.466 3.688 50 0 FHAALO Cc1[nH+]c2ccccc2n1CCC(=O)N(C)[C@@H](C)Cc1ncccc1C ZINC000220641966 568353162 /nfs/dbraw/zinc/35/31/62/568353162.db2.gz OQDOLZPGPOTDQR-INIZCTEOSA-N 1 2 350.466 3.528 50 0 FHAALO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)CCc1ccc(F)c(F)c1 ZINC000222535948 568537374 /nfs/dbraw/zinc/53/73/74/568537374.db2.gz XZVSFJBVCOGJFN-UHFFFAOYSA-N 1 2 369.415 3.801 50 0 FHAALO COc1cccc2c1OCCC[N@H+](Cc1nnc(-c3ccccc3)o1)C2 ZINC000222906910 568577827 /nfs/dbraw/zinc/57/78/27/568577827.db2.gz XHKJHZMYGYRCRP-UHFFFAOYSA-N 1 2 351.406 3.530 50 0 FHAALO COc1cccc2c1OCCC[N@@H+](Cc1nnc(-c3ccccc3)o1)C2 ZINC000222906910 568577829 /nfs/dbraw/zinc/57/78/29/568577829.db2.gz XHKJHZMYGYRCRP-UHFFFAOYSA-N 1 2 351.406 3.530 50 0 FHAALO CCn1cc[nH+]c1C1CCN(C(=O)[C@@H](C)Oc2cccc(Cl)c2)CC1 ZINC000091794084 570439440 /nfs/dbraw/zinc/43/94/40/570439440.db2.gz GGHVLRCQEFUIDY-CQSZACIVSA-N 1 2 361.873 3.730 50 0 FHAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N(CC)CC)csc3C2)nc1 ZINC000426411248 570450243 /nfs/dbraw/zinc/45/02/43/570450243.db2.gz GKHPWBUCEUZYJJ-UHFFFAOYSA-N 1 2 357.523 3.746 50 0 FHAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N(CC)CC)csc3C2)nc1 ZINC000426411248 570450246 /nfs/dbraw/zinc/45/02/46/570450246.db2.gz GKHPWBUCEUZYJJ-UHFFFAOYSA-N 1 2 357.523 3.746 50 0 FHAALO CCn1cc[nH+]c1CSc1n[nH]c(-c2ccccc2Br)n1 ZINC000071882589 570479346 /nfs/dbraw/zinc/47/93/46/570479346.db2.gz PBIXLXCXVYUVRO-UHFFFAOYSA-N 1 2 364.272 3.743 50 0 FHAALO Cc1cc(C)c(CNC(=O)N(C)Cc2nc3cc(C)c(C)cc3[nH]2)c[nH+]1 ZINC000584902513 570511113 /nfs/dbraw/zinc/51/11/13/570511113.db2.gz ATLMHYSEUODNCM-UHFFFAOYSA-N 1 2 351.454 3.533 50 0 FHAALO O=C(NCCCn1cc[nH+]c1)c1cc(-c2ccccc2)nc2ccccc21 ZINC000002081355 570513842 /nfs/dbraw/zinc/51/38/42/570513842.db2.gz RKQWILDVJCIPMT-UHFFFAOYSA-N 1 2 356.429 3.918 50 0 FHAALO CCCCNC(=O)c1csc2c1CC[N@H+](Cc1ccc(CC)cn1)C2 ZINC000426538022 570614736 /nfs/dbraw/zinc/61/47/36/570614736.db2.gz BOERSPDGNQCUBL-UHFFFAOYSA-N 1 2 357.523 3.794 50 0 FHAALO CCCCNC(=O)c1csc2c1CC[N@@H+](Cc1ccc(CC)cn1)C2 ZINC000426538022 570614737 /nfs/dbraw/zinc/61/47/37/570614737.db2.gz BOERSPDGNQCUBL-UHFFFAOYSA-N 1 2 357.523 3.794 50 0 FHAALO Cn1ncc(C(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)c1-n1cccc1 ZINC000050805816 570617348 /nfs/dbraw/zinc/61/73/48/570617348.db2.gz DXMUKBVMVPEECN-UHFFFAOYSA-N 1 2 359.389 3.650 50 0 FHAALO COc1cc2c(cc1OC)[C@H](C)[N@H+](CC(=O)Nc1ccc(C)cc1)CC2 ZINC000005426872 570655189 /nfs/dbraw/zinc/65/51/89/570655189.db2.gz XTXPRYMZLAZNTC-HNNXBMFYSA-N 1 2 354.450 3.570 50 0 FHAALO COc1cc2c(cc1OC)[C@H](C)[N@@H+](CC(=O)Nc1ccc(C)cc1)CC2 ZINC000005426872 570655193 /nfs/dbraw/zinc/65/51/93/570655193.db2.gz XTXPRYMZLAZNTC-HNNXBMFYSA-N 1 2 354.450 3.570 50 0 FHAALO CCc1nc2n(n1)C(=O)C([C@H](c1ccc(Cl)cc1)[NH+]1CCCC1)S2 ZINC000022852938 570694654 /nfs/dbraw/zinc/69/46/54/570694654.db2.gz UGINFDZXLKSHLE-AWEZNQCLSA-N 1 2 362.886 3.897 50 0 FHAALO CCc1nc2n(n1)C(=O)C([C@H](c1cccc(C)c1)[NH+]1CCCCC1)S2 ZINC000022853073 570694836 /nfs/dbraw/zinc/69/48/36/570694836.db2.gz SZIWCHIMSLAPEQ-INIZCTEOSA-N 1 2 356.495 3.943 50 0 FHAALO CCc1nc2n(n1)C(=O)C([C@H](c1ccc(C)cc1)[NH+]1CCCCC1)S2 ZINC000022853079 570695286 /nfs/dbraw/zinc/69/52/86/570695286.db2.gz NPUMRJIJMMRYSM-INIZCTEOSA-N 1 2 356.495 3.943 50 0 FHAALO O=C(NC[C@H](c1ccco1)[N@@H+]1CCc2ccccc2C1)c1cccc(F)c1 ZINC000022906937 570697620 /nfs/dbraw/zinc/69/76/20/570697620.db2.gz INRSXGJYWMZXSQ-HXUWFJFHSA-N 1 2 364.420 3.948 50 0 FHAALO O=C(NC[C@H](c1ccco1)[N@H+]1CCc2ccccc2C1)c1cccc(F)c1 ZINC000022906937 570697622 /nfs/dbraw/zinc/69/76/22/570697622.db2.gz INRSXGJYWMZXSQ-HXUWFJFHSA-N 1 2 364.420 3.948 50 0 FHAALO CCc1[nH+]c2ccccc2n1CC(=O)N1CCC(c2ccc(O)cc2)CC1 ZINC000012627484 570754343 /nfs/dbraw/zinc/75/43/43/570754343.db2.gz GAEZHXYBRFADKY-UHFFFAOYSA-N 1 2 363.461 3.711 50 0 FHAALO O=C(C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)Nc1ccccc1Cl ZINC000012937966 570767732 /nfs/dbraw/zinc/76/77/32/570767732.db2.gz WAFYUBLDTLEMRA-HNNXBMFYSA-N 1 2 371.868 3.629 50 0 FHAALO O=C(C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)Nc1ccccc1Cl ZINC000012937966 570767734 /nfs/dbraw/zinc/76/77/34/570767734.db2.gz WAFYUBLDTLEMRA-HNNXBMFYSA-N 1 2 371.868 3.629 50 0 FHAALO COc1ccc(C(=O)N2CCN(c3cc(C)c4ccccc4[nH+]3)CC2)cc1 ZINC000013681012 570784109 /nfs/dbraw/zinc/78/41/09/570784109.db2.gz AERXGJAZDWDSNG-UHFFFAOYSA-N 1 2 361.445 3.514 50 0 FHAALO C[N@H+](CC(=O)c1c[nH]c2ccccc12)Cc1cnn(Cc2ccccc2)c1 ZINC000014019739 570801863 /nfs/dbraw/zinc/80/18/63/570801863.db2.gz DCSBJFBHYQCSCW-UHFFFAOYSA-N 1 2 358.445 3.727 50 0 FHAALO C[N@@H+](CC(=O)c1c[nH]c2ccccc12)Cc1cnn(Cc2ccccc2)c1 ZINC000014019739 570801866 /nfs/dbraw/zinc/80/18/66/570801866.db2.gz DCSBJFBHYQCSCW-UHFFFAOYSA-N 1 2 358.445 3.727 50 0 FHAALO O=c1[nH]c(C[NH+]2CCC(OCc3ccccc3)CC2)nc2ccsc21 ZINC000014076613 570803810 /nfs/dbraw/zinc/80/38/10/570803810.db2.gz QJPXVMFZRSPFNC-UHFFFAOYSA-N 1 2 355.463 3.578 50 0 FHAALO Cc1ccccc1-n1c(=S)n(C[NH+]2CCCC2)nc1-c1cccnc1 ZINC000014093783 570804948 /nfs/dbraw/zinc/80/49/48/570804948.db2.gz VRNXFXJCIXYVOF-UHFFFAOYSA-N 1 2 351.479 3.827 50 0 FHAALO Cc1ccc([C@H]([NH2+]Cc2nnnn2-c2ccccc2)c2ccccc2)cc1 ZINC000014095375 570805365 /nfs/dbraw/zinc/80/53/65/570805365.db2.gz GKHJLTFIQHECBK-JOCHJYFZSA-N 1 2 355.445 3.850 50 0 FHAALO COc1ccc([C@@H]([NH2+]Cc2nnnn2-c2ccccc2)c2ccccc2)cc1 ZINC000014169623 570809938 /nfs/dbraw/zinc/80/99/38/570809938.db2.gz SKPCPIDOAQCDJK-QFIPXVFZSA-N 1 2 371.444 3.550 50 0 FHAALO COc1cc(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)ccc1C ZINC000014527564 570819494 /nfs/dbraw/zinc/81/94/94/570819494.db2.gz HKIITGNXUBJXMK-UHFFFAOYSA-N 1 2 359.495 3.944 50 0 FHAALO CCCCc1ncc(C[N@@H+]2CCC[C@@H](Nc3ccc(OC)c(OC)c3)C2)[nH]1 ZINC000015064204 570830517 /nfs/dbraw/zinc/83/05/17/570830517.db2.gz QXDIKAFPKJQBHY-QGZVFWFLSA-N 1 2 372.513 3.846 50 0 FHAALO CCCCc1ncc(C[N@H+]2CCC[C@@H](Nc3ccc(OC)c(OC)c3)C2)[nH]1 ZINC000015064204 570830518 /nfs/dbraw/zinc/83/05/18/570830518.db2.gz QXDIKAFPKJQBHY-QGZVFWFLSA-N 1 2 372.513 3.846 50 0 FHAALO CCOC(=O)C1CC[NH+](Cc2nc(-c3ccc(F)cc3F)oc2C)CC1 ZINC000015065220 570831053 /nfs/dbraw/zinc/83/10/53/570831053.db2.gz ATKSXJDDPVHKTB-UHFFFAOYSA-N 1 2 364.392 3.703 50 0 FHAALO C[C@H](C(=O)NCc1cccs1)[N@H+](C)Cc1ccccc1Br ZINC000016388661 570855363 /nfs/dbraw/zinc/85/53/63/570855363.db2.gz NKHBARCGZHHUNB-GFCCVEGCSA-N 1 2 367.312 3.647 50 0 FHAALO C[C@H](C(=O)NCc1cccs1)[N@@H+](C)Cc1ccccc1Br ZINC000016388661 570855367 /nfs/dbraw/zinc/85/53/67/570855367.db2.gz NKHBARCGZHHUNB-GFCCVEGCSA-N 1 2 367.312 3.647 50 0 FHAALO OC[C@@]1(Cc2ccc(F)cc2F)CCC[N@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000015073620 570832059 /nfs/dbraw/zinc/83/20/59/570832059.db2.gz GWOYSVZGFIQEDQ-OAQYLSRUSA-N 1 2 371.431 3.658 50 0 FHAALO OC[C@@]1(Cc2ccc(F)cc2F)CCC[N@@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000015073620 570832061 /nfs/dbraw/zinc/83/20/61/570832061.db2.gz GWOYSVZGFIQEDQ-OAQYLSRUSA-N 1 2 371.431 3.658 50 0 FHAALO Cc1cccc(C(C)C)c1NC(=O)C[N@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000016628918 570859066 /nfs/dbraw/zinc/85/90/66/570859066.db2.gz BDQPIJBBQVTHKG-QGZVFWFLSA-N 1 2 368.477 3.829 50 0 FHAALO Cc1cccc(C(C)C)c1NC(=O)C[N@@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000016628918 570859068 /nfs/dbraw/zinc/85/90/68/570859068.db2.gz BDQPIJBBQVTHKG-QGZVFWFLSA-N 1 2 368.477 3.829 50 0 FHAALO CC(=O)Nc1ccc(C(=O)[C@@H](C)[N@H+](C)CCOc2ccc(Cl)cc2)cc1 ZINC000016633050 570859113 /nfs/dbraw/zinc/85/91/13/570859113.db2.gz PSISNRWZNCIWJP-CQSZACIVSA-N 1 2 374.868 3.880 50 0 FHAALO CC(=O)Nc1ccc(C(=O)[C@@H](C)[N@@H+](C)CCOc2ccc(Cl)cc2)cc1 ZINC000016633050 570859117 /nfs/dbraw/zinc/85/91/17/570859117.db2.gz PSISNRWZNCIWJP-CQSZACIVSA-N 1 2 374.868 3.880 50 0 FHAALO C[C@@H](CCc1ccccc1)NC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000017116133 570868801 /nfs/dbraw/zinc/86/88/01/570868801.db2.gz JZQZUZVIKQMUMD-KRWDZBQOSA-N 1 2 357.523 3.597 50 0 FHAALO O=C(Nc1cccc(Cl)c1Cl)N1CCN(c2cccc[nH+]2)CC1 ZINC000018162224 570875720 /nfs/dbraw/zinc/87/57/20/570875720.db2.gz HNTNCYRVBZCITQ-UHFFFAOYSA-N 1 2 351.237 3.743 50 0 FHAALO Cn1c(C[N@@H+]2CCc3[nH]nc(Cc4cccs4)c3C2)nc2ccccc21 ZINC000019111951 570880343 /nfs/dbraw/zinc/88/03/43/570880343.db2.gz LPHCSAYFGKDOSF-UHFFFAOYSA-N 1 2 363.490 3.507 50 0 FHAALO Cn1c(C[N@H+]2CCc3[nH]nc(Cc4cccs4)c3C2)nc2ccccc21 ZINC000019111951 570880346 /nfs/dbraw/zinc/88/03/46/570880346.db2.gz LPHCSAYFGKDOSF-UHFFFAOYSA-N 1 2 363.490 3.507 50 0 FHAALO Cn1c(C[N@@H+]2CCc3n[nH]c(Cc4cccs4)c3C2)nc2ccccc21 ZINC000019111951 570880349 /nfs/dbraw/zinc/88/03/49/570880349.db2.gz LPHCSAYFGKDOSF-UHFFFAOYSA-N 1 2 363.490 3.507 50 0 FHAALO Cn1c(C[N@H+]2CCc3n[nH]c(Cc4cccs4)c3C2)nc2ccccc21 ZINC000019111951 570880351 /nfs/dbraw/zinc/88/03/51/570880351.db2.gz LPHCSAYFGKDOSF-UHFFFAOYSA-N 1 2 363.490 3.507 50 0 FHAALO Fc1ccc(-c2ccc(CNc3ccc(N4CCOCC4)c[nH+]3)o2)cc1 ZINC000194075590 570885199 /nfs/dbraw/zinc/88/51/99/570885199.db2.gz WDHLNAKQGDVWEW-UHFFFAOYSA-N 1 2 353.397 3.929 50 0 FHAALO Fc1ccc(C[NH+]2CCN(Cc3ccccc3Br)CC2)cc1 ZINC000019361450 570887200 /nfs/dbraw/zinc/88/72/00/570887200.db2.gz CVIBWJOZLCOOQJ-UHFFFAOYSA-N 1 2 363.274 3.906 50 0 FHAALO Fc1ccc(CN2CC[NH+](Cc3ccccc3Br)CC2)cc1 ZINC000019361450 570887203 /nfs/dbraw/zinc/88/72/03/570887203.db2.gz CVIBWJOZLCOOQJ-UHFFFAOYSA-N 1 2 363.274 3.906 50 0 FHAALO COc1ccc(OC)c(C[NH+]2CCN(Cc3ccccc3Cl)CC2)c1 ZINC000019360161 570887464 /nfs/dbraw/zinc/88/74/64/570887464.db2.gz PYGKSLBUFSYJDG-UHFFFAOYSA-N 1 2 360.885 3.675 50 0 FHAALO COc1ccc(OC)c(CN2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000019360161 570887469 /nfs/dbraw/zinc/88/74/69/570887469.db2.gz PYGKSLBUFSYJDG-UHFFFAOYSA-N 1 2 360.885 3.675 50 0 FHAALO C[C@@H](NC(=O)NCc1cc[nH+]c(N(C)C)c1)c1ccc2c(c1)CCCC2 ZINC000047612165 570893196 /nfs/dbraw/zinc/89/31/96/570893196.db2.gz HUVGWWPTVPAJMB-OAHLLOKOSA-N 1 2 352.482 3.587 50 0 FHAALO CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1C)CC[N@@H+](C)C3 ZINC000019681875 570898597 /nfs/dbraw/zinc/89/85/97/570898597.db2.gz QZPXINQFXDRLAC-UHFFFAOYSA-N 1 2 371.531 3.856 50 0 FHAALO CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1C)CC[N@H+](C)C3 ZINC000019681875 570898599 /nfs/dbraw/zinc/89/85/99/570898599.db2.gz QZPXINQFXDRLAC-UHFFFAOYSA-N 1 2 371.531 3.856 50 0 FHAALO CCCCn1c2ccccc2n(C[C@@H](O)COc2ccc(Cl)cc2)c1=[NH2+] ZINC000019757739 570902216 /nfs/dbraw/zinc/90/22/16/570902216.db2.gz DXJYMDWCYWQLET-MRXNPFEDSA-N 1 2 373.884 3.816 50 0 FHAALO CCN1c2ccccc2[N@@H+](CC(=O)c2ccc(Br)cc2)C1=N ZINC000019847959 570904849 /nfs/dbraw/zinc/90/48/49/570904849.db2.gz SGTLSWBZAZJZBR-UHFFFAOYSA-N 1 2 358.239 3.588 50 0 FHAALO CCN1c2ccccc2[N@H+](CC(=O)c2ccc(Br)cc2)C1=N ZINC000019847959 570904854 /nfs/dbraw/zinc/90/48/54/570904854.db2.gz SGTLSWBZAZJZBR-UHFFFAOYSA-N 1 2 358.239 3.588 50 0 FHAALO O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000020363931 570914901 /nfs/dbraw/zinc/91/49/01/570914901.db2.gz FGDAZKGJPZGOKI-UHFFFAOYSA-N 1 2 364.367 3.790 50 0 FHAALO Cc1ccc(-n2c3c(c(=O)[nH]c2=S)C[N@H+](C2CCCCC2)CN3)cc1 ZINC000020394319 570914999 /nfs/dbraw/zinc/91/49/99/570914999.db2.gz VQNUPRXVQGHJJB-UHFFFAOYSA-N 1 2 356.495 3.721 50 0 FHAALO Cc1ccc(-n2c3c(c(=O)[nH]c2=S)C[N@@H+](C2CCCCC2)CN3)cc1 ZINC000020394319 570915003 /nfs/dbraw/zinc/91/50/03/570915003.db2.gz VQNUPRXVQGHJJB-UHFFFAOYSA-N 1 2 356.495 3.721 50 0 FHAALO Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3Br)CC2)cc1 ZINC000020367221 570915200 /nfs/dbraw/zinc/91/52/00/570915200.db2.gz DMXHTAJDNHJZLM-UHFFFAOYSA-N 1 2 373.294 3.716 50 0 FHAALO Cc1cccc(-n2c3c(c(=O)[nH]c2=S)C[N@H+](C2CCCCC2)CN3)c1 ZINC000020567588 570919993 /nfs/dbraw/zinc/91/99/93/570919993.db2.gz PXWKPEDZPWNFBT-UHFFFAOYSA-N 1 2 356.495 3.721 50 0 FHAALO Cc1cccc(-n2c3c(c(=O)[nH]c2=S)C[N@@H+](C2CCCCC2)CN3)c1 ZINC000020567588 570919995 /nfs/dbraw/zinc/91/99/95/570919995.db2.gz PXWKPEDZPWNFBT-UHFFFAOYSA-N 1 2 356.495 3.721 50 0 FHAALO c1nnc2c3ccccc3c(N3CCC(c4[nH]c5ccccc5[nH+]4)CC3)nn12 ZINC000021798675 570934506 /nfs/dbraw/zinc/93/45/06/570934506.db2.gz IRZHMVFFBJEHNP-UHFFFAOYSA-N 1 2 369.432 3.538 50 0 FHAALO CCN1c2ccccc2[C@]2([NH2+]CCc3c(C)n(-c4ccccc4)c(C)c32)C1=O ZINC000022096348 570939834 /nfs/dbraw/zinc/93/98/34/570939834.db2.gz RXRZNCJMQXAVLK-XMMPIXPASA-N 1 2 371.484 3.850 50 0 FHAALO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(N2CCc3ccccc32)cc1 ZINC000048332524 570947727 /nfs/dbraw/zinc/94/77/27/570947727.db2.gz STUCISYEHJIGPC-INIZCTEOSA-N 1 2 361.449 3.788 50 0 FHAALO CCOC(=O)c1c(C)[nH]c(C(=O)Cn2c[nH+]c3cc(C)c(C)cc32)c1C ZINC000022813844 570950147 /nfs/dbraw/zinc/95/01/47/570950147.db2.gz BOJDCPFYNBQQTF-UHFFFAOYSA-N 1 2 353.422 3.658 50 0 FHAALO C[C@H](c1cccs1)[N@H+](C)Cc1nnnn1-c1ccc(C(F)(F)F)cc1 ZINC000048368475 570953069 /nfs/dbraw/zinc/95/30/69/570953069.db2.gz SSPGASYUOAKNHM-LLVKDONJSA-N 1 2 367.400 3.936 50 0 FHAALO C[C@H](c1cccs1)[N@@H+](C)Cc1nnnn1-c1ccc(C(F)(F)F)cc1 ZINC000048368475 570953074 /nfs/dbraw/zinc/95/30/74/570953074.db2.gz SSPGASYUOAKNHM-LLVKDONJSA-N 1 2 367.400 3.936 50 0 FHAALO O=C(c1ccc2ccccc2c1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000023079129 570956226 /nfs/dbraw/zinc/95/62/26/570956226.db2.gz GODLHBFOYDURFN-UHFFFAOYSA-N 1 2 360.457 3.677 50 0 FHAALO CCN(CC)c1ccc(-c2noc(C[N@@H+]3CCc4ccccc4C3)n2)cn1 ZINC000049409706 570963236 /nfs/dbraw/zinc/96/32/36/570963236.db2.gz HYJXFWWRFDCQEN-UHFFFAOYSA-N 1 2 363.465 3.536 50 0 FHAALO CCN(CC)c1ccc(-c2noc(C[N@H+]3CCc4ccccc4C3)n2)cn1 ZINC000049409706 570963239 /nfs/dbraw/zinc/96/32/39/570963239.db2.gz HYJXFWWRFDCQEN-UHFFFAOYSA-N 1 2 363.465 3.536 50 0 FHAALO CC[N@@H+](Cc1ccc(Cl)s1)CN1C(=O)NC2(CCCCCC2)C1=O ZINC000023652866 570966136 /nfs/dbraw/zinc/96/61/36/570966136.db2.gz SHRVDDNBSBKNFI-UHFFFAOYSA-N 1 2 369.918 3.826 50 0 FHAALO CC[N@H+](Cc1ccc(Cl)s1)CN1C(=O)NC2(CCCCCC2)C1=O ZINC000023652866 570966140 /nfs/dbraw/zinc/96/61/40/570966140.db2.gz SHRVDDNBSBKNFI-UHFFFAOYSA-N 1 2 369.918 3.826 50 0 FHAALO CCOc1ccc(NC(=O)c2c3ccccc3nc3c2C[N@H+](C)CC3)cc1 ZINC000023873000 570968403 /nfs/dbraw/zinc/96/84/03/570968403.db2.gz JSPVLHKUYNCMHH-UHFFFAOYSA-N 1 2 361.445 3.874 50 0 FHAALO CCOc1ccc(NC(=O)c2c3ccccc3nc3c2C[N@@H+](C)CC3)cc1 ZINC000023873000 570968405 /nfs/dbraw/zinc/96/84/05/570968405.db2.gz JSPVLHKUYNCMHH-UHFFFAOYSA-N 1 2 361.445 3.874 50 0 FHAALO CC(C)c1ccc(C[N@H+](C)CN2C(=O)NC3(CCC(C)CC3)C2=O)cc1 ZINC000023996038 570970044 /nfs/dbraw/zinc/97/00/44/570970044.db2.gz CLPDMAVXAPSZLP-UHFFFAOYSA-N 1 2 357.498 3.700 50 0 FHAALO CC(C)c1ccc(C[N@@H+](C)CN2C(=O)NC3(CCC(C)CC3)C2=O)cc1 ZINC000023996038 570970047 /nfs/dbraw/zinc/97/00/47/570970047.db2.gz CLPDMAVXAPSZLP-UHFFFAOYSA-N 1 2 357.498 3.700 50 0 FHAALO Cc1cc(NC(=O)[C@@H]([NH2+]Cc2ccc(C)c(F)c2)c2ccccc2)no1 ZINC000023994659 570970054 /nfs/dbraw/zinc/97/00/54/570970054.db2.gz VAJMVCMXBIYCDW-IBGZPJMESA-N 1 2 353.397 3.900 50 0 FHAALO COc1ccc(C)cc1NC(=O)c1c2ccccc2nc2c1C[N@H+](C)CC2 ZINC000024572553 570978026 /nfs/dbraw/zinc/97/80/26/570978026.db2.gz IJBKQDGGXLMMFD-UHFFFAOYSA-N 1 2 361.445 3.792 50 0 FHAALO COc1ccc(C)cc1NC(=O)c1c2ccccc2nc2c1C[N@@H+](C)CC2 ZINC000024572553 570978030 /nfs/dbraw/zinc/97/80/30/570978030.db2.gz IJBKQDGGXLMMFD-UHFFFAOYSA-N 1 2 361.445 3.792 50 0 FHAALO C=C1c2ccccc2NC(=O)N1C[C@@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000025065984 570990549 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570896380 /nfs/dbraw/zinc/89/63/80/570896380.db2.gz FIIJLAQYDOEZDO-UHFFFAOYSA-N 1 2 373.464 3.856 50 0 FHAALO CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[N@@H+](C)C3 ZINC000019758854 570902323 /nfs/dbraw/zinc/90/23/23/570902323.db2.gz VMHBDACXDBASHI-UHFFFAOYSA-N 1 2 357.504 3.547 50 0 FHAALO CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[N@H+](C)C3 ZINC000019758854 570902326 /nfs/dbraw/zinc/90/23/26/570902326.db2.gz VMHBDACXDBASHI-UHFFFAOYSA-N 1 2 357.504 3.547 50 0 FHAALO COc1ccc(NC(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000020249362 570914036 /nfs/dbraw/zinc/91/40/36/570914036.db2.gz QYHKZNARUCDNFO-UHFFFAOYSA-N 1 2 359.857 3.698 50 0 FHAALO Cn1cccc1C[NH+]1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000021348203 570929827 /nfs/dbraw/zinc/92/98/27/570929827.db2.gz DQDSUZFMGYVXIL-UHFFFAOYSA-N 1 2 359.473 3.650 50 0 FHAALO Cn1cc[nH+]c1[C@H](NC(=O)[C@]1(C)CC1(Cl)Cl)c1ccc(Cl)cc1 ZINC000021600937 570931925 /nfs/dbraw/zinc/93/19/25/570931925.db2.gz QSUMDFGICLKQHG-DOMZBBRYSA-N 1 2 372.683 3.863 50 0 FHAALO C[C@@H]1Oc2c(cccc2C(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@@H]1C ZINC000022696536 570948312 /nfs/dbraw/zinc/94/83/12/570948312.db2.gz ULQMHNYBKBCHFS-SJORKVTESA-N 1 2 350.462 3.529 50 0 FHAALO C[C@@H](c1cccs1)[N@H+](C)Cc1nnnn1-c1ccc(C(F)(F)F)cc1 ZINC000048368473 570953047 /nfs/dbraw/zinc/95/30/47/570953047.db2.gz SSPGASYUOAKNHM-NSHDSACASA-N 1 2 367.400 3.936 50 0 FHAALO C[C@@H](c1cccs1)[N@@H+](C)Cc1nnnn1-c1ccc(C(F)(F)F)cc1 ZINC000048368473 570953049 /nfs/dbraw/zinc/95/30/49/570953049.db2.gz SSPGASYUOAKNHM-NSHDSACASA-N 1 2 367.400 3.936 50 0 FHAALO C[C@@H](C(=O)Nc1ccc(Cl)cc1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000022933234 570953237 /nfs/dbraw/zinc/95/32/37/570953237.db2.gz DMNZUMGMQWDZDE-AWEZNQCLSA-N 1 2 363.914 3.546 50 0 FHAALO Cc1c2cc(C)cc(Cl)c2oc1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000023128532 570957043 /nfs/dbraw/zinc/95/70/43/570957043.db2.gz ZPEPEYBWTJKEJI-UHFFFAOYSA-N 1 2 364.873 3.544 50 0 FHAALO O=C(Nc1sc2c(c1C[NH+]1CCOCC1)CCCC2)c1ccc(F)cc1 ZINC000023230582 570960229 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FHAALO C[N@H+](CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)C(c1ccccc1)c1ccccc1 ZINC000012819821 571116426 /nfs/dbraw/zinc/11/64/26/571116426.db2.gz STGZTOKYIHBLQL-PMACEKPBSA-N 1 2 360.457 3.617 50 0 FHAALO C[N@@H+](CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)C(c1ccccc1)c1ccccc1 ZINC000012819821 571116428 /nfs/dbraw/zinc/11/64/28/571116428.db2.gz STGZTOKYIHBLQL-PMACEKPBSA-N 1 2 360.457 3.617 50 0 FHAALO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1c[nH]nc1-c1cc2ccccc2o1 ZINC000055182783 571117358 /nfs/dbraw/zinc/11/73/58/571117358.db2.gz QCYWFCWVUBZXCY-INIZCTEOSA-N 1 2 353.422 3.741 50 0 FHAALO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1c[nH]nc1-c1cc2ccccc2o1 ZINC000055182783 571117360 /nfs/dbraw/zinc/11/73/60/571117360.db2.gz QCYWFCWVUBZXCY-INIZCTEOSA-N 1 2 353.422 3.741 50 0 FHAALO COCC[N@H+](Cc1cc(Cl)c(O)c(OC)c1)Cc1ccccc1F ZINC000055343220 571119603 /nfs/dbraw/zinc/11/96/03/571119603.db2.gz VOXHMRUSLCGNFL-UHFFFAOYSA-N 1 2 353.821 3.842 50 0 FHAALO COCC[N@@H+](Cc1cc(Cl)c(O)c(OC)c1)Cc1ccccc1F ZINC000055343220 571119604 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CCOc1ccccc1NC(=O)C[N@@H+]1CCN(c2ccc(C)cc2)[C@@H](C)C1 ZINC000013737011 571271422 /nfs/dbraw/zinc/27/14/22/571271422.db2.gz CWIVSDGFRCCJNU-SFHVURJKSA-N 1 2 367.493 3.543 50 0 FHAALO CCOc1ccccc1NC(=O)C[N@H+]1CCN(c2ccc(C)cc2)[C@@H](C)C1 ZINC000013737011 571271424 /nfs/dbraw/zinc/27/14/24/571271424.db2.gz CWIVSDGFRCCJNU-SFHVURJKSA-N 1 2 367.493 3.543 50 0 FHAALO COc1ccc(OCCCNc2ccc(-n3nc(C)cc3C)c[nH+]2)cc1 ZINC000076093089 571274408 /nfs/dbraw/zinc/27/44/08/571274408.db2.gz MRMYXSNZSMYNAN-UHFFFAOYSA-N 1 2 352.438 3.774 50 0 FHAALO Cc1cc(C)cc(C(=O)N2CCC[C@@H](Nc3ccc(N(C)C)[nH+]c3)CC2)c1 ZINC000252487222 571280612 /nfs/dbraw/zinc/28/06/12/571280612.db2.gz HTBTZPBIVLSAGU-LJQANCHMSA-N 1 2 366.509 3.871 50 0 FHAALO Fc1ccc2[nH]c(CCc3nc(C4CC4)nn3CC(F)(F)F)[nH+]c2c1 ZINC000584894341 571315066 /nfs/dbraw/zinc/31/50/66/571315066.db2.gz KTKFJWBDYIHNQQ-UHFFFAOYSA-N 1 2 353.323 3.518 50 0 FHAALO CCc1c(C)nc(C)nc1-c1cccc(C(=O)NC[C@H](C)n2cc[nH+]c2)c1 ZINC000584896466 571315477 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O=C(c1ccccc1Br)N(Cc1c[nH+]c2ccccn12)C1CC1 ZINC000096025044 571334122 /nfs/dbraw/zinc/33/41/22/571334122.db2.gz UCRWTRMFKCQUCO-UHFFFAOYSA-N 1 2 370.250 3.902 50 0 FHAALO CCCn1c2ccccc2[nH+]c1CCc1ccc(NS(=O)(=O)CC)cc1 ZINC000021357436 571334246 /nfs/dbraw/zinc/33/42/46/571334246.db2.gz BTFSRFQGJNYUJE-UHFFFAOYSA-N 1 2 371.506 3.993 50 0 FHAALO Cn1ccc(NC(=O)c2ccccc2SCc2cn3ccccc3[nH+]2)n1 ZINC000028497296 571339186 /nfs/dbraw/zinc/33/91/86/571339186.db2.gz KANDTOIUQWPQSK-UHFFFAOYSA-N 1 2 363.446 3.612 50 0 FHAALO O=C1OCC[C@H]1[NH2+]C[C@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000057293264 571342458 /nfs/dbraw/zinc/34/24/58/571342458.db2.gz IYPVYUWXWJFWSS-HNAYVOBHSA-N 1 2 354.837 3.858 50 0 FHAALO COc1ccc(Cl)cc1C[N@H+](C)[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000057624521 571344751 /nfs/dbraw/zinc/34/47/51/571344751.db2.gz SPMJCXBCTBXDAE-IBGZPJMESA-N 1 2 358.869 3.800 50 0 FHAALO COc1ccc(Cl)cc1C[N@@H+](C)[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000057624521 571344752 /nfs/dbraw/zinc/34/47/52/571344752.db2.gz SPMJCXBCTBXDAE-IBGZPJMESA-N 1 2 358.869 3.800 50 0 FHAALO C[C@@H](c1nc2ccccc2o1)[NH+]1CCN(c2ncnc3ccsc32)CC1 ZINC000181119837 571349738 /nfs/dbraw/zinc/34/97/38/571349738.db2.gz ZVUKXPJOPBWFKU-ZDUSSCGKSA-N 1 2 365.462 3.716 50 0 FHAALO Cc1ccc(C)n1-c1ccc[nH+]c1N1CCC(C(=O)N2CCCCC2)CC1 ZINC000033034541 930652258 /nfs/dbraw/zinc/65/22/58/930652258.db2.gz CIUPWNLNTSOWGC-UHFFFAOYSA-N 1 2 366.509 3.718 50 0 FHAALO Cc1cc(Cl)c(OCCOCCn2cc[nH+]c2)c(Br)c1 ZINC000022309846 931020928 /nfs/dbraw/zinc/02/09/28/931020928.db2.gz VOXUAOHTBZHDBF-UHFFFAOYSA-N 1 2 359.651 3.703 50 0 FHAALO O=C(c1ccco1)N1CC[NH+](Cc2ccc([C@@H]3CCCCO3)s2)CC1 ZINC000220123484 222714049 /nfs/dbraw/zinc/71/40/49/222714049.db2.gz BWLHZVXMSAHRIW-INIZCTEOSA-N 1 2 360.479 3.541 50 0 FHAALO Cc1cc2[nH+]cn([C@H]3CC(=O)N(c4cccc(Cl)c4)C3=O)c2cc1C ZINC000001115524 219372035 /nfs/dbraw/zinc/37/20/35/219372035.db2.gz QQXWBHDIWZYCQN-KRWDZBQOSA-N 1 2 353.809 3.811 50 0 FHAALO CCOC(=O)c1c[nH+]c2ccc(Oc3ccccc3)cc2c1NC[C@@H](C)O ZINC000019793268 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COc1cccc([C@@H](CC[NH+]2CCOCC2)Oc2ccccc2OC)c1 ZINC000096281675 209149109 /nfs/dbraw/zinc/14/91/09/209149109.db2.gz LCGTWQRZGKSCKS-LJQANCHMSA-N 1 2 357.450 3.546 50 0 FHAALO O=C(Cn1c2ccccc2[nH+]c1NCCO)c1ccc(Cl)cc1Cl ZINC000001833786 206897813 /nfs/dbraw/zinc/89/78/13/206897813.db2.gz NMHCOGOXZUJJMB-UHFFFAOYSA-N 1 2 364.232 3.630 50 0 FHAALO COc1ccc(-c2cc(C(F)(F)F)nc(-n3cc[nH+]c3C)n2)cc1OC ZINC000003909592 206994929 /nfs/dbraw/zinc/99/49/29/206994929.db2.gz PESCTDHXLADXLV-UHFFFAOYSA-N 1 2 364.327 3.674 50 0 FHAALO CC(=O)O[C@H](COc1ccc(F)cc1)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000004661440 207035944 /nfs/dbraw/zinc/03/59/44/207035944.db2.gz IJRUIMVVRXOVID-SFHVURJKSA-N 1 2 356.397 3.803 50 0 FHAALO C[C@@H]1CCC[C@@H](NC(=O)C2CCN(c3[nH]c4ccccc4[nH+]3)CC2)[C@@H]1C ZINC000004669951 207037818 /nfs/dbraw/zinc/03/78/18/207037818.db2.gz GDNFFEAOZCRBBS-BFYDXBDKSA-N 1 2 354.498 3.720 50 0 FHAALO Cc1ccc(NC(=O)C[N@@H+]2CCc3cc4c(cc3[C@H]2C)OCCCO4)cc1 ZINC000005354980 207096022 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Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)Cc1cccc(F)c1 ZINC000007791490 207207110 /nfs/dbraw/zinc/20/71/10/207207110.db2.gz OGXDRTRQTIKGEX-UHFFFAOYSA-N 1 2 365.246 3.967 50 0 FHAALO Cc1cc(Br)ccc1NC(=O)C[N@H+](C)Cc1cccc(F)c1 ZINC000007791490 207207114 /nfs/dbraw/zinc/20/71/14/207207114.db2.gz OGXDRTRQTIKGEX-UHFFFAOYSA-N 1 2 365.246 3.967 50 0 FHAALO C[N@@H+](Cc1ccccc1)Cn1nc(-c2cccnc2)n(C2CC2)c1=S ZINC000008061679 207218307 /nfs/dbraw/zinc/21/83/07/207218307.db2.gz AIIDOBFQMKPBEV-UHFFFAOYSA-N 1 2 351.479 3.900 50 0 FHAALO C[N@H+](Cc1ccccc1)Cn1nc(-c2cccnc2)n(C2CC2)c1=S ZINC000008061679 207218311 /nfs/dbraw/zinc/21/83/11/207218311.db2.gz AIIDOBFQMKPBEV-UHFFFAOYSA-N 1 2 351.479 3.900 50 0 FHAALO O=C(NCc1cn2ccccc2[nH+]1)c1cc(Br)ccc1Cl ZINC000007945558 207211116 /nfs/dbraw/zinc/21/11/16/207211116.db2.gz XVYMNVRYAKNSKE-UHFFFAOYSA-N 1 2 364.630 3.680 50 0 FHAALO O=C(C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1)Nc1ccc2c(c1)CCC2 ZINC000007927417 207212041 /nfs/dbraw/zinc/21/20/41/207212041.db2.gz 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ZINC000008707696 207241722 /nfs/dbraw/zinc/24/17/22/207241722.db2.gz CPFAXXGVUHORJF-UHFFFAOYSA-N 1 2 351.425 3.929 50 0 FHAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1cc2c(s1)CCCC2)c1ccccc1 ZINC000008749732 207246596 /nfs/dbraw/zinc/24/65/96/207246596.db2.gz QOHVDLDSVWVBQG-SFHVURJKSA-N 1 2 351.475 3.880 50 0 FHAALO C[C@@H](CC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1)c1ccccc1 ZINC000009157078 207259960 /nfs/dbraw/zinc/25/99/60/207259960.db2.gz ONAGFOZASVOQCZ-YWZLYKJASA-N 1 2 351.425 3.959 50 0 FHAALO COc1cccc([C@H](NC(=O)Nc2cccc(C)c2)c2[nH+]ccn2C)c1 ZINC000009314245 207264496 /nfs/dbraw/zinc/26/44/96/207264496.db2.gz UWBMWWOHJJVJOA-SFHVURJKSA-N 1 2 350.422 3.648 50 0 FHAALO COc1ccc(SCC(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000009318570 207265230 /nfs/dbraw/zinc/26/52/30/207265230.db2.gz SAGWADSISQOBSV-OAHLLOKOSA-N 1 2 367.474 3.850 50 0 FHAALO COc1ccccc1[C@@H](Nc1ncnc2sccc21)c1[nH+]ccn1C ZINC000009318059 207265912 /nfs/dbraw/zinc/26/59/12/207265912.db2.gz CWLNFMIDIVGCBY-OAHLLOKOSA-N 1 2 351.435 3.635 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/nfs/dbraw/zinc/00/38/49/208003849.db2.gz XLPGIVOPMKAQCC-QVKFZJNVSA-N 1 2 363.461 3.631 50 0 FHAALO O=C(c1ccco1)N1CC[NH+](Cc2ccc(-c3ccccc3)s2)CC1 ZINC000031938124 208020239 /nfs/dbraw/zinc/02/02/39/208020239.db2.gz YIPVPQKGZZCSGC-UHFFFAOYSA-N 1 2 352.459 3.966 50 0 FHAALO CC(C)Oc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)nc2)cc1Cl ZINC000032370717 208027114 /nfs/dbraw/zinc/02/71/14/208027114.db2.gz NEOBGOKDFHFPNK-UHFFFAOYSA-N 1 2 356.813 3.960 50 0 FHAALO O=S(=O)(CC[N@H+]1CC=C(c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000032652520 208035150 /nfs/dbraw/zinc/03/51/50/208035150.db2.gz AKVZAIGQLFUJOR-UHFFFAOYSA-N 1 2 361.894 3.903 50 0 FHAALO O=S(=O)(CC[N@@H+]1CC=C(c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000032652520 208035154 /nfs/dbraw/zinc/03/51/54/208035154.db2.gz AKVZAIGQLFUJOR-UHFFFAOYSA-N 1 2 361.894 3.903 50 0 FHAALO Cc1ccc(-c2cc(C(=O)NCc3ccccc3Cn3cc[nH+]c3)[nH]n2)cc1 ZINC000032904451 208054713 /nfs/dbraw/zinc/05/47/13/208054713.db2.gz CYMVKUDLYKQUMU-UHFFFAOYSA-N 1 2 371.444 3.560 50 0 FHAALO Cc1[nH+]c2ccccc2n1CCNC(=O)Nc1cccc(Br)c1 ZINC000032951064 208059598 /nfs/dbraw/zinc/05/95/98/208059598.db2.gz AKRVQUXAOGIGKG-UHFFFAOYSA-N 1 2 373.254 3.929 50 0 FHAALO CCN(CC)c1cc(CNC(=O)Nc2cc(Cl)ccc2OC)cc[nH+]1 ZINC000033280246 208081694 /nfs/dbraw/zinc/08/16/94/208081694.db2.gz WDMIIAAZRWOUIC-UHFFFAOYSA-N 1 2 362.861 3.912 50 0 FHAALO Cc1c(C(=O)N2CC[NH+](Cc3ccncc3)CC2)oc2cc(C)cc(C)c12 ZINC000033327103 208087808 /nfs/dbraw/zinc/08/78/08/208087808.db2.gz CYXONSYRJMWJPZ-UHFFFAOYSA-N 1 2 363.461 3.711 50 0 FHAALO CCCCn1c2ccccc2[nH+]c1N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000034910011 208114739 /nfs/dbraw/zinc/11/47/39/208114739.db2.gz CTQBVYVMHUERLI-KRWDZBQOSA-N 1 2 354.498 3.675 50 0 FHAALO C[NH+]1CCN(C(=O)c2cncc(-c3ccc(Oc4ccccc4)cc3)c2)CC1 ZINC000036349099 208153323 /nfs/dbraw/zinc/15/33/23/208153323.db2.gz SQFVAGTYVPSGPV-UHFFFAOYSA-N 1 2 373.456 3.929 50 0 FHAALO c1sc(Cc2ccccc2)nc1C[N@H+](C[C@H]1CCCO1)C[C@@H]1CCCO1 ZINC000040120181 208231369 /nfs/dbraw/zinc/23/13/69/208231369.db2.gz MOZZRJPWRVQUSG-BGYRXZFFSA-N 1 2 372.534 3.894 50 0 FHAALO c1sc(Cc2ccccc2)nc1C[N@@H+](C[C@H]1CCCO1)C[C@@H]1CCCO1 ZINC000040120181 208231374 /nfs/dbraw/zinc/23/13/74/208231374.db2.gz MOZZRJPWRVQUSG-BGYRXZFFSA-N 1 2 372.534 3.894 50 0 FHAALO Cc1ccn2cc(CNC(=O)COc3ccc(C(C)(C)C)cc3)[nH+]c2c1 ZINC000040157624 208239389 /nfs/dbraw/zinc/23/93/89/208239389.db2.gz LPUANNXPESIIFA-UHFFFAOYSA-N 1 2 351.450 3.635 50 0 FHAALO COc1ccc(Cl)cc1C(=O)Nc1cccc(OCCn2cc[nH+]c2)c1 ZINC000042706267 208295671 /nfs/dbraw/zinc/29/56/71/208295671.db2.gz DHJVTMCEZRQJMM-UHFFFAOYSA-N 1 2 371.824 3.876 50 0 FHAALO C[C@H](c1cccs1)N(C)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000048147734 208390199 /nfs/dbraw/zinc/39/01/99/208390199.db2.gz LKBIRJXCQKSMEF-OAHLLOKOSA-N 1 2 359.495 3.805 50 0 FHAALO Cc1cc(F)ccc1NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000058227329 208572747 /nfs/dbraw/zinc/57/27/47/208572747.db2.gz ZXHUUSNIHWYVMH-UHFFFAOYSA-N 1 2 366.396 3.612 50 0 FHAALO C[N@H+](Cc1cc[nH]n1)Cc1ccc(C(=O)Nc2ccc(F)cc2F)cc1 ZINC000067446687 208706697 /nfs/dbraw/zinc/70/66/97/208706697.db2.gz JSJIPVUNRAPFMK-UHFFFAOYSA-N 1 2 356.376 3.572 50 0 FHAALO C[N@@H+](Cc1cc[nH]n1)Cc1ccc(C(=O)Nc2ccc(F)cc2F)cc1 ZINC000067446687 208706702 /nfs/dbraw/zinc/70/67/02/208706702.db2.gz JSJIPVUNRAPFMK-UHFFFAOYSA-N 1 2 356.376 3.572 50 0 FHAALO CCc1cccc(NC(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2cscn2)C3)c1 ZINC000091876831 209002744 /nfs/dbraw/zinc/00/27/44/209002744.db2.gz SJHNBLSWBNLRBK-QFBILLFUSA-N 1 2 370.522 3.834 50 0 FHAALO CCc1cccc(NC(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](Cc2cscn2)C3)c1 ZINC000091876831 209002750 /nfs/dbraw/zinc/00/27/50/209002750.db2.gz SJHNBLSWBNLRBK-QFBILLFUSA-N 1 2 370.522 3.834 50 0 FHAALO Cc1ccc(-c2cc(C(=O)NCc3ccccc3-n3cc[nH+]c3)[nH]n2)s1 ZINC000091964506 209006854 /nfs/dbraw/zinc/00/68/54/209006854.db2.gz UEMKYDUJYZFDGQ-UHFFFAOYSA-N 1 2 363.446 3.562 50 0 FHAALO O=C(Cn1cc[nH+]c1-c1ccccc1)N1CCOc2ccc(Cl)cc2C1 ZINC000092077433 209016106 /nfs/dbraw/zinc/01/61/06/209016106.db2.gz UNWTXVBEMQZMSU-UHFFFAOYSA-N 1 2 367.836 3.625 50 0 FHAALO CN(Cc1cnc2ccccc2c1)C(=O)[C@@H](c1ccccc1F)[NH+](C)C ZINC000095363484 209029047 /nfs/dbraw/zinc/02/90/47/209029047.db2.gz MRSAVQYVFORXOL-HXUWFJFHSA-N 1 2 351.425 3.635 50 0 FHAALO CC(C)c1nc(CN(C)C(=O)c2ccccc2-c2[nH+]ccn2C)cs1 ZINC000092046898 209014822 /nfs/dbraw/zinc/01/48/22/209014822.db2.gz SFFAMPXXVILVLP-UHFFFAOYSA-N 1 2 354.479 3.939 50 0 FHAALO Cc1[nH]c2ccc(CC(=O)N[C@H](C)c3cnn(-c4ccccc4)c3C)cc2[nH+]1 ZINC000092045603 209015411 /nfs/dbraw/zinc/01/54/11/209015411.db2.gz AAUYBIHPBROCCW-CQSZACIVSA-N 1 2 373.460 3.785 50 0 FHAALO Cc1[nH]c2cc(CC(=O)N[C@H](C)c3cnn(-c4ccccc4)c3C)ccc2[nH+]1 ZINC000092045603 209015415 /nfs/dbraw/zinc/01/54/15/209015415.db2.gz AAUYBIHPBROCCW-CQSZACIVSA-N 1 2 373.460 3.785 50 0 FHAALO CN(Cc1cccc2cnccc21)C(=O)[C@H](c1ccccc1F)[NH+](C)C ZINC000095388701 209046173 /nfs/dbraw/zinc/04/61/73/209046173.db2.gz BLYSMZSKQIABOT-FQEVSTJZSA-N 1 2 351.425 3.635 50 0 FHAALO CN(Cc1cc(-c2ccccc2)no1)C(=O)[C@@H](c1ccccc1F)[NH+](C)C ZINC000095366159 209031343 /nfs/dbraw/zinc/03/13/43/209031343.db2.gz KZWZQUORNAWFHQ-HXUWFJFHSA-N 1 2 367.424 3.742 50 0 FHAALO CCc1[nH+]c2ccccc2n1[C@H](CC)C(=O)N(C)Cc1c(C)noc1C ZINC000095365756 209031676 /nfs/dbraw/zinc/03/16/76/209031676.db2.gz CLYMVIULVJTPNP-QGZVFWFLSA-N 1 2 354.454 3.813 50 0 FHAALO CCCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)Cc2cccc(OC)c2)C1 ZINC000095371298 209034593 /nfs/dbraw/zinc/03/45/93/209034593.db2.gz QMLACBFHXTUAMC-GOSISDBHSA-N 1 2 355.482 3.641 50 0 FHAALO COc1cccc(CCC(=O)N2CCC[C@@H](c3[nH+]ccn3C(C)C)C2)c1 ZINC000095385918 209043299 /nfs/dbraw/zinc/04/32/99/209043299.db2.gz GPKZCQJLFTZVSO-GOSISDBHSA-N 1 2 355.482 3.811 50 0 FHAALO CN(C)c1ccc(C(=O)N2CCC[C@H](c3[nH+]ccn3CC3CCC3)C2)cc1 ZINC000095392837 209047461 /nfs/dbraw/zinc/04/74/61/209047461.db2.gz XNJGZJDCBPCUFV-IBGZPJMESA-N 1 2 366.509 3.769 50 0 FHAALO CCCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc(OC)c(OC)c2)C1 ZINC000095496738 209059534 /nfs/dbraw/zinc/05/95/34/209059534.db2.gz GGHABDMAKMHRMT-QGZVFWFLSA-N 1 2 371.481 3.720 50 0 FHAALO CCCCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccccc2C(C)=O)C1 ZINC000095496557 209060011 /nfs/dbraw/zinc/06/00/11/209060011.db2.gz HZZIOMQGAVSQAC-KRWDZBQOSA-N 1 2 353.466 3.906 50 0 FHAALO Cc1cc(-c2csc(NC(=O)Cc3cn4ccccc4[nH+]3)n2)c(C)o1 ZINC000095953909 209089334 /nfs/dbraw/zinc/08/93/34/209089334.db2.gz SXGXKVVYLVAFGG-UHFFFAOYSA-N 1 2 352.419 3.849 50 0 FHAALO O=C(Cn1ccc2ccccc21)N1CCC[C@H](c2[nH+]ccn2CC2CC2)C1 ZINC000095506040 209065443 /nfs/dbraw/zinc/06/54/43/209065443.db2.gz DRUHCFWLAIULPX-IBGZPJMESA-N 1 2 362.477 3.654 50 0 FHAALO O=C(COc1ccc(F)cc1)N1CCC[C@H](c2[nH+]ccn2CC2CCC2)C1 ZINC000095508778 209066266 /nfs/dbraw/zinc/06/62/66/209066266.db2.gz HHWCFADSLGUXSU-KRWDZBQOSA-N 1 2 371.456 3.607 50 0 FHAALO Cc1ncsc1C(=O)N1CCC(c2[nH+]ccn2Cc2ccccc2)CC1 ZINC000095508219 209067083 /nfs/dbraw/zinc/06/70/83/209067083.db2.gz JTWDOHPJONIENN-UHFFFAOYSA-N 1 2 366.490 3.716 50 0 FHAALO FC(F)(F)c1cccc(C[NH+]2CCN(c3nncc4ccccc43)CC2)c1 ZINC000089873294 132200221 /nfs/dbraw/zinc/20/02/21/132200221.db2.gz 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Clc1ccc(N2CC[NH+](Cc3ccc([C@@H]4CCCCO4)o3)CC2)nc1 ZINC000216085306 132270662 /nfs/dbraw/zinc/27/06/62/132270662.db2.gz SLNXMLAJBKQYEJ-KRWDZBQOSA-N 1 2 361.873 3.892 50 0 FHAALO CCc1ccc(NC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)cc1 ZINC000033280281 136117656 /nfs/dbraw/zinc/11/76/56/136117656.db2.gz OBGGXZYXMJZRPY-UHFFFAOYSA-N 1 2 356.495 3.519 50 0 FHAALO CC(C)CNC(=O)c1cccc(C[NH+]2CCN(c3ccccc3F)CC2)c1 ZINC000034668402 136117694 /nfs/dbraw/zinc/11/76/94/136117694.db2.gz DHKMVMSOGRTLSD-UHFFFAOYSA-N 1 2 369.484 3.534 50 0 FHAALO Cc1cc(C(=O)N(C)C2CCN(c3cccc[nH+]3)CC2)c2ccccc2n1 ZINC000058168563 136130686 /nfs/dbraw/zinc/13/06/86/136130686.db2.gz QLPZWBMRUACAMA-UHFFFAOYSA-N 1 2 360.461 3.679 50 0 FHAALO COc1ccc(C(=O)[C@H]2CCCN(c3cc(C(C)C)[nH+]cn3)C2)cc1F ZINC000071762711 136140869 /nfs/dbraw/zinc/14/08/69/136140869.db2.gz QGZARNHAFNEYIG-HNNXBMFYSA-N 1 2 357.429 3.847 50 0 FHAALO CCCc1nc(N2CCC[C@@H](Nc3ccc4c(c3)OCCO4)C2)cc(C)[nH+]1 ZINC000072144894 136142654 /nfs/dbraw/zinc/14/26/54/136142654.db2.gz 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Cc1nc([C@H](C)N(C)C(=O)NCc2cn3c(cccc3C)[nH+]2)c(C)s1 ZINC000426475291 570607064 /nfs/dbraw/zinc/60/70/64/570607064.db2.gz AWAMPYWKQXXIEX-LBPRGKRZSA-N 1 2 357.483 3.619 50 0 FHAALO CC(C)Cc1[nH+]c2ccccc2n1[C@@H](C)C(=O)NCc1ncc(Cl)cn1 ZINC000426491341 570607633 /nfs/dbraw/zinc/60/76/33/570607633.db2.gz BYAKSBAQFKDXHK-ZDUSSCGKSA-N 1 2 371.872 3.556 50 0 FHAALO FC(F)(F)c1ccccc1NC(=S)N1CCN(c2cccc[nH+]2)CC1 ZINC000005041857 570619174 /nfs/dbraw/zinc/61/91/74/570619174.db2.gz DPWCSNJIRWOIPT-UHFFFAOYSA-N 1 2 366.412 3.619 50 0 FHAALO CC[C@H]1CCc2sc(C(=O)N3CCN(c4cccc[nH+]4)CC3)cc2C1 ZINC000006583340 570650132 /nfs/dbraw/zinc/65/01/32/570650132.db2.gz DYOPEMZKWFXHSP-HNNXBMFYSA-N 1 2 355.507 3.620 50 0 FHAALO O=C(NC[C@@H](c1ccco1)[N@@H+]1CCc2ccccc2C1)c1cccc(F)c1 ZINC000022906941 570697604 /nfs/dbraw/zinc/69/76/04/570697604.db2.gz INRSXGJYWMZXSQ-FQEVSTJZSA-N 1 2 364.420 3.948 50 0 FHAALO O=C(NC[C@@H](c1ccco1)[N@H+]1CCc2ccccc2C1)c1cccc(F)c1 ZINC000022906941 570697606 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CC[N@H+](Cc1cc(C(C)=O)ccc1OC)C[C@@H]1COc2ccccc2O1 ZINC000036726035 208170868 /nfs/dbraw/zinc/17/08/68/208170868.db2.gz AMOYCHIMUKOJLF-GOSISDBHSA-N 1 2 355.434 3.560 50 0 FHAALO COc1ccccc1C[N@H+](Cc1nc(C(=O)NC(C)C)co1)[C@H](C)C(C)C ZINC000036069105 208143949 /nfs/dbraw/zinc/14/39/49/208143949.db2.gz AJCJWCOTNVEKOY-MRXNPFEDSA-N 1 2 373.497 3.868 50 0 FHAALO COc1ccccc1C[N@@H+](Cc1nc(C(=O)NC(C)C)co1)[C@H](C)C(C)C ZINC000036069105 208143954 /nfs/dbraw/zinc/14/39/54/208143954.db2.gz AJCJWCOTNVEKOY-MRXNPFEDSA-N 1 2 373.497 3.868 50 0 FHAALO Cc1cccc(OCC(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)c1 ZINC000036074812 208144168 /nfs/dbraw/zinc/14/41/68/208144168.db2.gz VBHSJJNWCWFXTE-UHFFFAOYSA-N 1 2 359.495 3.701 50 0 FHAALO COc1ccc(-c2csc3[nH]c(C[NH+]4CCCCC4)nc(=O)c23)cc1 ZINC000036203978 208149469 /nfs/dbraw/zinc/14/94/69/208149469.db2.gz ONHFRHWLDNUTFU-UHFFFAOYSA-N 1 2 355.463 3.646 50 0 FHAALO Cn1cc[nH+]c1[C@@H](NC(=O)[C@@H]1CCCc2ccccc21)c1ccccc1F ZINC000040059006 208221562 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O=C(Nc1ccccc1)N1CCC(c2[nH+]ccn2Cc2cccnc2)CC1 ZINC000092097120 209016743 /nfs/dbraw/zinc/01/67/43/209016743.db2.gz KGZKCPXJRNGNPR-UHFFFAOYSA-N 1 2 361.449 3.738 50 0 FHAALO O=C(NC1CCCCC1)N1CCC[C@@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095354504 209024873 /nfs/dbraw/zinc/02/48/73/209024873.db2.gz YFXCGFDPXYSSLY-OAHLLOKOSA-N 1 2 373.526 3.610 50 0 FHAALO Cc1c[nH]c([C@@H](C)NC(=O)c2ccc3nc(-c4ccc(F)cc4)cn3c2)[nH+]1 ZINC000095353556 209025148 /nfs/dbraw/zinc/02/51/48/209025148.db2.gz JIVRPLLVQZPCBC-CYBMUJFWSA-N 1 2 363.396 3.663 50 0 FHAALO Cc1cc(N[C@H](C)c2nc(C3CC3)no2)nc(Nc2cccc(O)c2)[nH+]1 ZINC000095363447 209029097 /nfs/dbraw/zinc/02/90/97/209029097.db2.gz PWTFBCGLCCCLSA-LLVKDONJSA-N 1 2 352.398 3.668 50 0 FHAALO CCCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cn3c(cccc3C)n2)C1 ZINC000095386518 209044606 /nfs/dbraw/zinc/04/46/06/209044606.db2.gz FOPISZWPSYXOEO-QGZVFWFLSA-N 1 2 365.481 3.659 50 0 FHAALO Cc1nc(C)c(C(=O)N2CCC[C@H](c3[nH+]ccn3CC3CCC3)C2)s1 ZINC000095376659 209036774 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Cc1nc(NCCc2csc(-c3ccccc3Cl)n2)nc(N(C)C)[nH+]1 ZINC000095442242 209050668 /nfs/dbraw/zinc/05/06/68/209050668.db2.gz PZVYSYFSTCUBDH-UHFFFAOYSA-N 1 2 374.901 3.678 50 0 FHAALO CCn1c2ccc(Br)cc2[nH+]c1NCc1cccc(C(N)=O)c1 ZINC000095943687 209088296 /nfs/dbraw/zinc/08/82/96/209088296.db2.gz RVQBCVMNNDULJZ-UHFFFAOYSA-N 1 2 373.254 3.530 50 0 FHAALO Cc1nccc(-c2ccccc2)c1C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000095504573 209065481 /nfs/dbraw/zinc/06/54/81/209065481.db2.gz VFXUIAMLGLWJFI-GOSISDBHSA-N 1 2 360.461 3.810 50 0 FHAALO O=C(Cc1cccc(F)c1)N1CCC[C@@H](c2[nH+]ccn2CC2CCC2)C1 ZINC000095513040 209070540 /nfs/dbraw/zinc/07/05/40/209070540.db2.gz UWVJCJHJGAOAJK-GOSISDBHSA-N 1 2 355.457 3.771 50 0 FHAALO CC(C)c1nc(CN(C)C(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)cs1 ZINC000077323627 132181107 /nfs/dbraw/zinc/18/11/07/132181107.db2.gz HGFGCZRJEPUHHR-OAHLLOKOSA-N 1 2 358.511 3.537 50 0 FHAALO Cc1ccccc1N1CCN(C(=O)c2cccc(-c3[nH]cc[nH+]3)c2)[C@@H](C)C1 ZINC000077354689 132182029 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C[C@H](C(=O)N[C@@H](C)c1ccccc1)[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000034684633 136117831 /nfs/dbraw/zinc/11/78/31/136117831.db2.gz YOCVCKJYDLFZIO-DLBZAZTESA-N 1 2 371.912 3.728 50 0 FHAALO O=C(NCc1ccc(N2CCCCC2)[nH+]c1)c1ccccc1Br ZINC000040118874 136119448 /nfs/dbraw/zinc/11/94/48/136119448.db2.gz ODLFGGZVUULBPW-UHFFFAOYSA-N 1 2 374.282 3.764 50 0 FHAALO O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(Cl)c(Cl)c1 ZINC000052537748 136124396 /nfs/dbraw/zinc/12/43/96/136124396.db2.gz OFHCHFBWMGMZPC-UHFFFAOYSA-N 1 2 364.276 3.754 50 0 FHAALO C[C@@H](c1nnc(-c2ccccc2)o1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000057352366 136128796 /nfs/dbraw/zinc/12/87/96/136128796.db2.gz UJWOFOZSIMKBDW-HNNXBMFYSA-N 1 2 352.413 3.759 50 0 FHAALO Cc1cccc(N2CC[NH+](Cc3nnc(-c4ccccc4C)o3)CC2)c1C ZINC000058024087 136130434 /nfs/dbraw/zinc/13/04/34/136130434.db2.gz PVAQQFLVJRCOSU-UHFFFAOYSA-N 1 2 362.477 3.984 50 0 FHAALO Cc1cc(N2CCC[C@@H](Nc3ccc4c(c3)OCO4)C2)nc(C(C)C)[nH+]1 ZINC000072167906 136143573 /nfs/dbraw/zinc/14/35/73/136143573.db2.gz 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ZINC000426635506 263649085 /nfs/dbraw/zinc/64/90/85/263649085.db2.gz QNHNIQKQMOPDFT-UHFFFAOYSA-N 1 2 366.490 3.695 50 0 FHAALO CCOc1cc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)ccc1OC ZINC000019842451 520700649 /nfs/dbraw/zinc/70/06/49/520700649.db2.gz QPHXFZVRUUKDOD-UHFFFAOYSA-N 1 2 358.457 3.551 50 0 FHAALO CCOc1cc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)ccc1OC ZINC000019842451 520700655 /nfs/dbraw/zinc/70/06/55/520700655.db2.gz QPHXFZVRUUKDOD-UHFFFAOYSA-N 1 2 358.457 3.551 50 0 FHAALO CCOc1ccccc1NC(=S)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000020725812 521551557 /nfs/dbraw/zinc/55/15/57/521551557.db2.gz YQXXJXLFSCIKGY-UHFFFAOYSA-N 1 2 371.506 3.726 50 0 FHAALO Cc1nc(-c2ccccc2)[nH]c1CN1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000019952064 525400532 /nfs/dbraw/zinc/40/05/32/525400532.db2.gz NTCCUZYPNPPQDU-UHFFFAOYSA-N 1 2 364.468 3.842 50 0 FHAALO Cc1nc(-c2ccccc2)[nH]c1C[NH+]1CCN(Cc2cccc(F)c2)CC1 ZINC000019952064 525400535 /nfs/dbraw/zinc/40/05/35/525400535.db2.gz NTCCUZYPNPPQDU-UHFFFAOYSA-N 1 2 364.468 3.842 50 0 FHAALO CC(=O)c1ccccc1C(=O)N1CCN(c2cc(C)c3ccccc3[nH+]2)CC1 ZINC000009306246 534909588 /nfs/dbraw/zinc/90/95/88/534909588.db2.gz DZFDYPVTEHWQHS-UHFFFAOYSA-N 1 2 373.456 3.708 50 0 FHAALO O=C(CN1CC[NH+](C/C=C/c2ccccc2)CC1)Nc1ccccc1Cl ZINC000020508746 526767111 /nfs/dbraw/zinc/76/71/11/526767111.db2.gz ZNGRQUVSRFQLFQ-RMKNXTFCSA-N 1 2 369.896 3.610 50 0 FHAALO Cc1[nH]c2ccc(CC(=O)N3CCCC[C@H]3c3nc(C(C)C)no3)cc2[nH+]1 ZINC000299785364 527118828 /nfs/dbraw/zinc/11/88/28/527118828.db2.gz YXGKESKISGJYGT-KRWDZBQOSA-N 1 2 367.453 3.674 50 0 FHAALO Cc1[nH]c2cc(CC(=O)N3CCCC[C@H]3c3nc(C(C)C)no3)ccc2[nH+]1 ZINC000299785364 527118830 /nfs/dbraw/zinc/11/88/30/527118830.db2.gz YXGKESKISGJYGT-KRWDZBQOSA-N 1 2 367.453 3.674 50 0 FHAALO O=C(NCCC1=CCCCC1)[C@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000020605218 527624157 /nfs/dbraw/zinc/62/41/57/527624157.db2.gz OETBHKKYBSBJBO-KRWDZBQOSA-N 1 2 352.482 3.786 50 0 FHAALO O=C(C(c1ccccc1)c1ccccc1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000019831586 527668403 /nfs/dbraw/zinc/66/84/03/527668403.db2.gz MZGZUVCTZRWNMV-UHFFFAOYSA-N 1 2 371.484 3.558 50 0 FHAALO CCCCc1ccc(NC(=O)C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000052537556 535090217 /nfs/dbraw/zinc/09/02/17/535090217.db2.gz XGJBORMADUCWTK-UHFFFAOYSA-N 1 2 369.484 3.929 50 0 FHAALO Cn1cnnc1Sc1ccc(C[N@@H+]2CCCC[C@@H]2c2nccs2)o1 ZINC000215266989 568060795 /nfs/dbraw/zinc/06/07/95/568060795.db2.gz VUSPRFUFZTVUGM-CYBMUJFWSA-N 1 2 361.496 3.743 50 0 FHAALO Cn1cnnc1Sc1ccc(C[N@H+]2CCCC[C@@H]2c2nccs2)o1 ZINC000215266989 568060796 /nfs/dbraw/zinc/06/07/96/568060796.db2.gz VUSPRFUFZTVUGM-CYBMUJFWSA-N 1 2 361.496 3.743 50 0 FHAALO CCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cnoc2-c2ccccc2)C1 ZINC000215450801 568071195 /nfs/dbraw/zinc/07/11/95/568071195.db2.gz JOLYMMLMIXEQBP-INIZCTEOSA-N 1 2 350.422 3.578 50 0 FHAALO c1cc([C@H]2CCCCO2)sc1C[NH+]1CCN(Cc2ccccn2)CC1 ZINC000216178650 568110068 /nfs/dbraw/zinc/11/00/68/568110068.db2.gz HGAJAIVEHPFOFT-LJQANCHMSA-N 1 2 357.523 3.703 50 0 FHAALO c1cc([C@H]2CCCCO2)sc1CN1CC[NH+](Cc2ccccn2)CC1 ZINC000216178650 568110069 /nfs/dbraw/zinc/11/00/69/568110069.db2.gz HGAJAIVEHPFOFT-LJQANCHMSA-N 1 2 357.523 3.703 50 0 FHAALO Cc1cccn2cc(CSc3nnnn3-c3cccc(Cl)c3)[nH+]c12 ZINC000006998750 568137184 /nfs/dbraw/zinc/13/71/84/568137184.db2.gz JJYFSDODVZTBMF-UHFFFAOYSA-N 1 2 356.842 3.564 50 0 FHAALO CCCn1nc(C)c(CNC(=O)CCn2c3ccccc3[nH+]c2CC)c1C ZINC000218895312 568256259 /nfs/dbraw/zinc/25/62/59/568256259.db2.gz IUSRGLQDDVHYSH-UHFFFAOYSA-N 1 2 367.497 3.529 50 0 FHAALO O=C(Cn1cc[nH+]c1-c1ccccc1)NCc1ccccc1C(F)(F)F ZINC000091794183 570439456 /nfs/dbraw/zinc/43/94/56/570439456.db2.gz RPEPMUQRIQJEBJ-UHFFFAOYSA-N 1 2 359.351 3.885 50 0 FHAALO CCOc1ccc([C@H](C2Sc3nc(C)nn3C2=O)[NH+]2CCCCC2)cc1 ZINC000022626021 570455794 /nfs/dbraw/zinc/45/57/94/570455794.db2.gz GXLBHNANEFQCBX-MRXNPFEDSA-N 1 2 372.494 3.779 50 0 FHAALO Cc1cc(C)c(NC(=O)NC(=O)c2cccc(C(F)(F)F)c2)c(C)[nH+]1 ZINC000001444335 570500227 /nfs/dbraw/zinc/50/02/27/570500227.db2.gz AGNQDPNSOHAHQF-UHFFFAOYSA-N 1 2 351.328 3.988 50 0 FHAALO COc1ccc([C@@H](C2Sc3nc(C)nn3C2=O)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000034690426 570528501 /nfs/dbraw/zinc/52/85/01/570528501.db2.gz KMUYYDKGQKKFLS-LRDDRELGSA-N 1 2 372.494 3.635 50 0 FHAALO COc1ccc([C@@H](C2Sc3nc(C)nn3C2=O)[N@H+]2CCC[C@H](C)C2)cc1 ZINC000034690426 570528509 /nfs/dbraw/zinc/52/85/09/570528509.db2.gz KMUYYDKGQKKFLS-LRDDRELGSA-N 1 2 372.494 3.635 50 0 FHAALO CC(C)C12CN3CC(C(C)C)(C[NH+](C1)C3c1c[nH]c3ccccc31)C2=O ZINC000085385581 570536800 /nfs/dbraw/zinc/53/68/00/570536800.db2.gz MPFSKJLVBDTLJY-UHFFFAOYSA-N 1 2 351.494 3.665 50 0 FHAALO Cc1ccc(-c2cnnc(N3CCC[C@@H](c4[nH]c5ccccc5[nH+]4)C3)n2)o1 ZINC000011820300 570708122 /nfs/dbraw/zinc/70/81/22/570708122.db2.gz GINITYNXBHTUQO-CQSZACIVSA-N 1 2 360.421 3.700 50 0 FHAALO CSc1cccc(NC(=O)[C@@H](C)[NH+]2CCN(c3ccccc3F)CC2)c1 ZINC000012380882 570740876 /nfs/dbraw/zinc/74/08/76/570740876.db2.gz DMQFASYNPZTUIQ-OAHLLOKOSA-N 1 2 373.497 3.697 50 0 FHAALO O=C(C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)Nc1ccccc1Cl ZINC000012937959 570767687 /nfs/dbraw/zinc/76/76/87/570767687.db2.gz WAFYUBLDTLEMRA-OAHLLOKOSA-N 1 2 371.868 3.629 50 0 FHAALO O=C(C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)Nc1ccccc1Cl ZINC000012937959 570767690 /nfs/dbraw/zinc/76/76/90/570767690.db2.gz WAFYUBLDTLEMRA-OAHLLOKOSA-N 1 2 371.868 3.629 50 0 FHAALO FC(F)(F)c1cccc(N2CC[NH+](Cc3nc4ccccc4[nH]3)CC2)c1 ZINC000012940020 570767725 /nfs/dbraw/zinc/76/77/25/570767725.db2.gz CDKVYOCCYBKUOJ-UHFFFAOYSA-N 1 2 360.383 3.904 50 0 FHAALO CCOc1ccccc1-n1nnn(C[N@H+](C)Cc2ccccc2C)c1=S ZINC000012972976 570769291 /nfs/dbraw/zinc/76/92/91/570769291.db2.gz QYEJQFZEWPJUHA-UHFFFAOYSA-N 1 2 369.494 3.595 50 0 FHAALO CCOc1ccccc1-n1nnn(C[N@@H+](C)Cc2ccccc2C)c1=S ZINC000012972976 570769292 /nfs/dbraw/zinc/76/92/92/570769292.db2.gz QYEJQFZEWPJUHA-UHFFFAOYSA-N 1 2 369.494 3.595 50 0 FHAALO Cc1cc(OC(C)(C)C(=O)N2CCN(c3cccc[nH+]3)CC2)ccc1Cl ZINC000013744738 570789000 /nfs/dbraw/zinc/78/90/00/570789000.db2.gz 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Cc1cc(NC(=O)c2cccc(CN(C)Cc3[nH]cc[nH+]3)c2)ccc1F ZINC000065381925 571142463 /nfs/dbraw/zinc/14/24/63/571142463.db2.gz PABPDDJJLJSRPU-UHFFFAOYSA-N 1 2 352.413 3.742 50 0 FHAALO Cn1cc(Cl)c(-c2c(-c3ccccc3)ncn2CCn2cc[nH+]c2)n1 ZINC000065396471 571142671 /nfs/dbraw/zinc/14/26/71/571142671.db2.gz PGUYQENXMIJKOP-UHFFFAOYSA-N 1 2 352.829 3.501 50 0 FHAALO Cc1cc(NC(=O)C[N@@H+](C)Cc2cccc(F)c2)n(-c2ccc(C)cc2)n1 ZINC000012906387 571143324 /nfs/dbraw/zinc/14/33/24/571143324.db2.gz OZUFIYXUGMCLAF-UHFFFAOYSA-N 1 2 366.440 3.699 50 0 FHAALO Cc1cc(NC(=O)C[N@H+](C)Cc2cccc(F)c2)n(-c2ccc(C)cc2)n1 ZINC000012906387 571143328 /nfs/dbraw/zinc/14/33/28/571143328.db2.gz OZUFIYXUGMCLAF-UHFFFAOYSA-N 1 2 366.440 3.699 50 0 FHAALO OCC1(Cn2c[nH+]c(-c3ccccc3)c2Cc2ccccc2)CCOCC1 ZINC000065427535 571143563 /nfs/dbraw/zinc/14/35/63/571143563.db2.gz QLHJIVGSBYPBEQ-UHFFFAOYSA-N 1 2 362.473 3.930 50 0 FHAALO C[C@H](Oc1ccccc1)c1nn2c(C[NH+]3CCCCCC3)nnc2s1 ZINC000067239884 571146320 /nfs/dbraw/zinc/14/63/20/571146320.db2.gz TVBKKRAVHPOJPV-AWEZNQCLSA-N 1 2 357.483 3.702 50 0 FHAALO CSc1ncc(Cn2cnc(-c3ccccc3)c2-c2[nH+]c[nH]c2C)n1C ZINC000067641979 571147654 /nfs/dbraw/zinc/14/76/54/571147654.db2.gz NLMYUNQULZDXKQ-UHFFFAOYSA-N 1 2 364.478 3.752 50 0 FHAALO O=C(NCc1cccnc1-n1cc[nH+]c1)C1(c2ccccc2)CCCCC1 ZINC000067675291 571148020 /nfs/dbraw/zinc/14/80/20/571148020.db2.gz SKHPDQBINOZZMP-UHFFFAOYSA-N 1 2 360.461 3.786 50 0 FHAALO Cc1[nH+]c2ccc(Cl)cn2c1[C@@H]1CC(=O)Nc2n[nH]c(-c3ccco3)c21 ZINC000067790094 571149768 /nfs/dbraw/zinc/14/97/68/571149768.db2.gz HKKLKDFTRQHXOW-LLVKDONJSA-N 1 2 367.796 3.753 50 0 FHAALO Cc1[nH]c2ccc(CNC(=O)c3cnc(C[NH+]4CCCC4)s3)cc2c1C ZINC000067820014 571150117 /nfs/dbraw/zinc/15/01/17/571150117.db2.gz RUZRQCSUWCEHDF-UHFFFAOYSA-N 1 2 368.506 3.767 50 0 FHAALO Cc1ccc(C(=O)NCc2ccc[nH+]c2N(C)CCc2ccccn2)cc1C ZINC000067871346 571150829 /nfs/dbraw/zinc/15/08/29/571150829.db2.gz CMQXAFKGXYYOKD-UHFFFAOYSA-N 1 2 374.488 3.702 50 0 FHAALO COc1ccccc1[C@@H](NC(=O)c1cc(C)c(C)s1)c1[nH+]ccn1C ZINC000053342278 571151544 /nfs/dbraw/zinc/15/15/44/571151544.db2.gz WGWATXCFVKNUOM-QGZVFWFLSA-N 1 2 355.463 3.626 50 0 FHAALO Cn1cc[nH+]c1[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)c1ccc(F)cc1 ZINC000022197030 571153604 /nfs/dbraw/zinc/15/36/04/571153604.db2.gz DPWBKXUOTPSOHD-CEXWTWQISA-N 1 2 367.399 3.708 50 0 FHAALO Cc1cc(N2CCOCC2)[nH+]c2ccc(NC(=O)CC3CCCC3)cc12 ZINC000033084499 571154379 /nfs/dbraw/zinc/15/43/79/571154379.db2.gz PGNSKUHCTAGOIQ-UHFFFAOYSA-N 1 2 353.466 3.899 50 0 FHAALO CCn1cc(C[N@@H+]2CCO[C@@H](c3ccc4cc(OC)ccc4c3)C2)cn1 ZINC000071708188 571163566 /nfs/dbraw/zinc/16/35/66/571163566.db2.gz VWFWCIVMXOQETC-OAQYLSRUSA-N 1 2 351.450 3.638 50 0 FHAALO CCn1cc(C[N@H+]2CCO[C@@H](c3ccc4cc(OC)ccc4c3)C2)cn1 ZINC000071708188 571163568 /nfs/dbraw/zinc/16/35/68/571163568.db2.gz VWFWCIVMXOQETC-OAQYLSRUSA-N 1 2 351.450 3.638 50 0 FHAALO c1cn([C@H](Cn2cc[nH+]c2)c2ccccc2)c(-c2cccc3nonc32)n1 ZINC000071756778 571165575 /nfs/dbraw/zinc/16/55/75/571165575.db2.gz KUUKBPBPCAUVAV-GOSISDBHSA-N 1 2 356.389 3.572 50 0 FHAALO O=S(=O)(Nc1ccccc1-c1cn2c([nH+]1)CCCC2)c1cccc(F)c1 ZINC000575619103 571171813 /nfs/dbraw/zinc/17/18/13/571171813.db2.gz GMTSIMMWOPSALA-UHFFFAOYSA-N 1 2 371.437 3.826 50 0 FHAALO Clc1cccc(C[NH+]2CCN(Cc3ccc4nsnc4c3)CC2)c1 ZINC000072145968 571173308 /nfs/dbraw/zinc/17/33/08/571173308.db2.gz AGCKNSNQFPFUQD-UHFFFAOYSA-N 1 2 358.898 3.663 50 0 FHAALO Clc1cccc(CN2CC[NH+](Cc3ccc4nsnc4c3)CC2)c1 ZINC000072145968 571173310 /nfs/dbraw/zinc/17/33/10/571173310.db2.gz AGCKNSNQFPFUQD-UHFFFAOYSA-N 1 2 358.898 3.663 50 0 FHAALO CCOc1ccc(C[N@H+](C)CC(=O)Nc2ccc3c(c2)CCC3)cc1OC ZINC000003455632 571183957 /nfs/dbraw/zinc/18/39/57/571183957.db2.gz LKLFLHNYLVAKHX-UHFFFAOYSA-N 1 2 368.477 3.653 50 0 FHAALO CCOc1ccc(C[N@@H+](C)CC(=O)Nc2ccc3c(c2)CCC3)cc1OC ZINC000003455632 571183959 /nfs/dbraw/zinc/18/39/59/571183959.db2.gz LKLFLHNYLVAKHX-UHFFFAOYSA-N 1 2 368.477 3.653 50 0 FHAALO Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000012597871 571188257 /nfs/dbraw/zinc/18/82/57/571188257.db2.gz IBXLJZUAFUKTFR-KRWDZBQOSA-N 1 2 355.457 3.592 50 0 FHAALO CCc1sc(-c2nnc(C[NH+]3CCN(c4ccccc4)CC3)o2)cc1C ZINC000012606659 571190397 /nfs/dbraw/zinc/19/03/97/571190397.db2.gz FJRRFGSEFUKRKY-UHFFFAOYSA-N 1 2 368.506 3.991 50 0 FHAALO C[C@@H](CCNc1cc(-c2ccccc2F)nc2ccnn21)n1cc[nH+]c1 ZINC000072409152 571191324 /nfs/dbraw/zinc/19/13/24/571191324.db2.gz FEOSSJFNVLWQLX-AWEZNQCLSA-N 1 2 350.401 3.795 50 0 FHAALO C[C@H](CCNc1cc(-c2ccccc2F)nc2ccnn21)n1cc[nH+]c1 ZINC000072409153 571191350 /nfs/dbraw/zinc/19/13/50/571191350.db2.gz FEOSSJFNVLWQLX-CQSZACIVSA-N 1 2 350.401 3.795 50 0 FHAALO CN(Cc1ccc(-n2cccn2)cc1)C(=O)c1ccccc1-c1[nH+]ccn1C ZINC000072410485 571191693 /nfs/dbraw/zinc/19/16/93/571191693.db2.gz QEQKRHJRQLTOSM-UHFFFAOYSA-N 1 2 371.444 3.545 50 0 FHAALO Cc1oc(C2CCC2)nc1C(=O)N1CC[NH+](Cc2ccc(C)c(C)c2)CC1 ZINC000097151885 571205315 /nfs/dbraw/zinc/20/53/15/571205315.db2.gz JYYWWDKNKHNXDH-UHFFFAOYSA-N 1 2 367.493 3.825 50 0 FHAALO C[C@@H](C(=O)c1c[nH]c2ccccc12)[NH+]1CCN(c2ccccc2F)CC1 ZINC000035848169 571206708 /nfs/dbraw/zinc/20/67/08/571206708.db2.gz CRCDVIVLOUQHIJ-HNNXBMFYSA-N 1 2 351.425 3.700 50 0 FHAALO CN(C[C@@H]1CCCO1)C(=O)NCC1CCC(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000534635642 571206969 /nfs/dbraw/zinc/20/69/69/571206969.db2.gz QGWZSSGZKHOMGI-JCYILVPMSA-N 1 2 370.497 3.657 50 0 FHAALO COc1c2c(cc3c1[C@@H](CC(=O)c1ccc(C)cc1)[N@H+](C)CC3)OCO2 ZINC000019943001 571208009 /nfs/dbraw/zinc/20/80/09/571208009.db2.gz JAQQMTRBQLKIHD-MRXNPFEDSA-N 1 2 353.418 3.534 50 0 FHAALO COc1c2c(cc3c1[C@@H](CC(=O)c1ccc(C)cc1)[N@@H+](C)CC3)OCO2 ZINC000019943001 571208012 /nfs/dbraw/zinc/20/80/12/571208012.db2.gz JAQQMTRBQLKIHD-MRXNPFEDSA-N 1 2 353.418 3.534 50 0 FHAALO CO[C@@H]1CCCN(C(=O)NCC2CCC(c3[nH]c4ccccc4[nH+]3)CC2)C1 ZINC000534676919 571209226 /nfs/dbraw/zinc/20/92/26/571209226.db2.gz ZINBBYCZKBGHQP-OFLPRAFFSA-N 1 2 370.497 3.657 50 0 FHAALO CCCc1cc(N2CC[C@]3(OC)CC[C@@H](OCC4CC4)C[C@H]23)nc(C)[nH+]1 ZINC000426383198 571217787 /nfs/dbraw/zinc/21/77/87/571217787.db2.gz ZJPIGZCNRXBAHT-SVFBPWRDSA-N 1 2 359.514 3.681 50 0 FHAALO O=C(c1onc2c1CCCC2)N1CCC(c2[nH+]ccn2CC2CCC2)CC1 ZINC000426389226 571218855 /nfs/dbraw/zinc/21/88/55/571218855.db2.gz GWTYRBUKPOPQOY-UHFFFAOYSA-N 1 2 368.481 3.570 50 0 FHAALO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cc3cccc(Cl)c3n2C)C1 ZINC000082083533 571227617 /nfs/dbraw/zinc/22/76/17/571227617.db2.gz KECGXQAOXFIALL-AWEZNQCLSA-N 1 2 356.857 3.585 50 0 FHAALO CC(=O)c1ccccc1C(=O)N1CCC(c2[nH+]ccn2CC2CC2)CC1 ZINC000082120957 571228811 /nfs/dbraw/zinc/22/88/11/571228811.db2.gz VNXJDTFXHSBQEM-UHFFFAOYSA-N 1 2 351.450 3.516 50 0 FHAALO O=C(c1ccc([C@H]2CCCO2)s1)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC000091737696 571242882 /nfs/dbraw/zinc/24/28/82/571242882.db2.gz WEPPMNDXEAIWJH-MRXNPFEDSA-N 1 2 358.463 3.678 50 0 FHAALO CCc1[nH+]c2cc3c(cc2n1CC(=O)Nc1ccc(C)c(C)c1)OCCO3 ZINC000064795128 571243047 /nfs/dbraw/zinc/24/30/47/571243047.db2.gz RGJASVLSPCOFKC-UHFFFAOYSA-N 1 2 365.433 3.625 50 0 FHAALO CCc1[nH+]c2cc3c(cc2n1CC(=O)Nc1c(C)cccc1C)OCCO3 ZINC000064795125 571243073 /nfs/dbraw/zinc/24/30/73/571243073.db2.gz NURNJVXGMXMJTJ-UHFFFAOYSA-N 1 2 365.433 3.625 50 0 FHAALO COc1ccc(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)c(C)c1 ZINC000065172892 571255695 /nfs/dbraw/zinc/25/56/95/571255695.db2.gz BDIAIYNNTPMTHI-UHFFFAOYSA-N 1 2 353.466 3.709 50 0 FHAALO CC[C@@H](C)NC(=O)c1ccc(-c2ccc(N3CCSCC3)[nH+]c2)cc1 ZINC000065178307 571256153 /nfs/dbraw/zinc/25/61/53/571256153.db2.gz NSGQYQASAWAWAM-OAHLLOKOSA-N 1 2 355.507 3.830 50 0 FHAALO COc1cccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2[nH]nc3c2cccc3Cl)c1 ZINC000170593842 571266177 /nfs/dbraw/zinc/26/61/77/571266177.db2.gz QJSAGYPHURWALV-VXGBXAGGSA-N 1 2 372.856 3.903 50 0 FHAALO C[C@@H](Nc1ccc(N2CCOCC2)[nH+]c1)c1ccccc1OC(F)(F)F ZINC000170592803 571266302 /nfs/dbraw/zinc/26/63/02/571266302.db2.gz XMWUTWILTFSWED-CYBMUJFWSA-N 1 2 367.371 3.990 50 0 FHAALO C[N@@H+](Cc1ccc(C(F)(F)F)cc1)Cn1c(=O)sc2c1CCCC2 ZINC000071853607 571270583 /nfs/dbraw/zinc/27/05/83/571270583.db2.gz XCSGWEWZOYHQKE-UHFFFAOYSA-N 1 2 356.413 3.897 50 0 FHAALO C[N@H+](Cc1ccc(C(F)(F)F)cc1)Cn1c(=O)sc2c1CCCC2 ZINC000071853607 571270584 /nfs/dbraw/zinc/27/05/84/571270584.db2.gz XCSGWEWZOYHQKE-UHFFFAOYSA-N 1 2 356.413 3.897 50 0 FHAALO Cc1ccc([C@H](C)NC(=O)C[NH+]2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000013323435 571270759 /nfs/dbraw/zinc/27/07/59/571270759.db2.gz SEUHIKVOHBLKNK-FQEVSTJZSA-N 1 2 365.521 3.611 50 0 FHAALO Cc1ccc(N2CC[N@@H+](CC(=O)Nc3cc(C)ccc3C)C[C@H]2C)cc1 ZINC000013737013 571271345 /nfs/dbraw/zinc/27/13/45/571271345.db2.gz PDFKFKTTWXERBC-LJQANCHMSA-N 1 2 351.494 3.761 50 0 FHAALO Cc1ccc(N2CC[N@H+](CC(=O)Nc3cc(C)ccc3C)C[C@H]2C)cc1 ZINC000013737013 571271346 /nfs/dbraw/zinc/27/13/46/571271346.db2.gz PDFKFKTTWXERBC-LJQANCHMSA-N 1 2 351.494 3.761 50 0 FHAALO O=C(NCc1ccccc1F)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000017117490 571275079 /nfs/dbraw/zinc/27/50/79/571275079.db2.gz OGMKDCOFBNEIIP-UHFFFAOYSA-N 1 2 361.848 3.507 50 0 FHAALO 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571329295 /nfs/dbraw/zinc/32/92/95/571329295.db2.gz ZNHYWLFQNNGBQY-HUUCEWRRSA-N 1 2 365.429 3.775 50 0 FHAALO CCOc1ccc(CNc2cc(-n3nc(C)cc3C)nc[nH+]2)cc1OCC ZINC000021713538 571335671 /nfs/dbraw/zinc/33/56/71/571335671.db2.gz PFGGHDFIJHUEGX-UHFFFAOYSA-N 1 2 367.453 3.689 50 0 FHAALO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000021847008 571336091 /nfs/dbraw/zinc/33/60/91/571336091.db2.gz VPDWNDJYILXFMY-MRXNPFEDSA-N 1 2 357.885 3.798 50 0 FHAALO Cn1ncc2c1nc(NC1CCCC1)[nH+]c2NCc1ccc(Cl)cc1 ZINC000021929226 571336212 /nfs/dbraw/zinc/33/62/12/571336212.db2.gz IDJRAEGPZRZZKQ-UHFFFAOYSA-N 1 2 356.861 3.983 50 0 FHAALO Cc1[nH+]c2ccccc2n1CC(=O)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC000055946465 571339081 /nfs/dbraw/zinc/33/90/81/571339081.db2.gz PSAUNNMCCLLIAD-CTNGQTDRSA-N 1 2 367.424 3.520 50 0 FHAALO C[C@H](c1nc(N)nc(Nc2ccccc2)n1)[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000057358822 571342688 /nfs/dbraw/zinc/34/26/88/571342688.db2.gz ITFPDEYLDGDYGA-NEPJUHHUSA-N 1 2 366.391 3.533 50 0 FHAALO 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O=C(C[N@@H+]1CC=C(c2cnn(-c3ccccc3)c2)CC1)Nc1ccccc1 ZINC000035404284 208124977 /nfs/dbraw/zinc/12/49/77/208124977.db2.gz UXQWRRXVUNJIDQ-UHFFFAOYSA-N 1 2 358.445 3.600 50 0 FHAALO Clc1ccc(-n2nnnc2C2([NH2+]Cc3ccco3)CCCCC2)cc1 ZINC000035622566 208132717 /nfs/dbraw/zinc/13/27/17/208132717.db2.gz PCTNVDNYYLQHNW-UHFFFAOYSA-N 1 2 357.845 3.858 50 0 FHAALO CC[N@H+](Cc1nc(-c2cccc(OC)c2)no1)Cc1ccc(OC)c(F)c1 ZINC000036396104 208164678 /nfs/dbraw/zinc/16/46/78/208164678.db2.gz LDRFVXFOVCFYKT-UHFFFAOYSA-N 1 2 371.412 3.915 50 0 FHAALO CC[N@@H+](Cc1nc(-c2cccc(OC)c2)no1)Cc1ccc(OC)c(F)c1 ZINC000036396104 208164685 /nfs/dbraw/zinc/16/46/85/208164685.db2.gz LDRFVXFOVCFYKT-UHFFFAOYSA-N 1 2 371.412 3.915 50 0 FHAALO CCOc1ccc(C[N@H+](Cc2nc(C(=O)N(C)CC)co2)[C@H](C)CC)cc1 ZINC000036063852 208144340 /nfs/dbraw/zinc/14/43/40/208144340.db2.gz BOWVTTMOTDVNTR-MRXNPFEDSA-N 1 2 373.497 3.966 50 0 FHAALO CCOc1ccc(C[N@@H+](Cc2nc(C(=O)N(C)CC)co2)[C@H](C)CC)cc1 ZINC000036063852 208144344 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CSc1cccc(C[N@@H+]2CCN(Cc3cccs3)[C@H](CCO)C2)c1 ZINC000039543126 208210518 /nfs/dbraw/zinc/21/05/18/208210518.db2.gz IHPJKJXGTNOHJX-QGZVFWFLSA-N 1 2 362.564 3.539 50 0 FHAALO CSc1cccc(C[N@H+]2CCN(Cc3cccs3)[C@H](CCO)C2)c1 ZINC000039543126 208210524 /nfs/dbraw/zinc/21/05/24/208210524.db2.gz IHPJKJXGTNOHJX-QGZVFWFLSA-N 1 2 362.564 3.539 50 0 FHAALO COC(=O)C[N@H+](C)Cc1cn(-c2ccc(C)cc2)nc1-c1ccc(F)cc1 ZINC000039438511 208212380 /nfs/dbraw/zinc/21/23/80/208212380.db2.gz KVPYLHJOWYJWFB-UHFFFAOYSA-N 1 2 367.424 3.592 50 0 FHAALO COC(=O)C[N@@H+](C)Cc1cn(-c2ccc(C)cc2)nc1-c1ccc(F)cc1 ZINC000039438511 208212384 /nfs/dbraw/zinc/21/23/84/208212384.db2.gz KVPYLHJOWYJWFB-UHFFFAOYSA-N 1 2 367.424 3.592 50 0 FHAALO O=C(Nc1ccccc1N1CCCC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000040103774 208228402 /nfs/dbraw/zinc/22/84/02/208228402.db2.gz JVHKWDHHIXBXPW-UHFFFAOYSA-N 1 2 370.522 3.698 50 0 FHAALO Cc1ccc(-c2nc(C[NH+](C[C@@H]3CCCO3)C[C@@H]3CCCO3)cs2)o1 ZINC000040120174 208231679 /nfs/dbraw/zinc/23/16/79/208231679.db2.gz 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ZINC000048251755 208392694 /nfs/dbraw/zinc/39/26/94/208392694.db2.gz ROSDIHVBQNJPSR-CYBMUJFWSA-N 1 2 371.462 3.841 50 0 FHAALO c1[nH]c2ccccc2c1-c1nn2c(C[NH+]3CCCCCC3)nnc2s1 ZINC000049546904 208419526 /nfs/dbraw/zinc/41/95/26/208419526.db2.gz ZAUJLBQVXTUHBU-UHFFFAOYSA-N 1 2 352.467 3.710 50 0 FHAALO Cc1n[nH]c(CN2CCc3[nH+]c[nH]c3[C@@H]2c2c(F)cccc2F)c1Cl ZINC000067489809 208705836 /nfs/dbraw/zinc/70/58/36/208705836.db2.gz IDHKZKFDUDVRDZ-KRWDZBQOSA-N 1 2 363.799 3.521 50 0 FHAALO O=C(N[C@H]1CCCC[C@@H]1n1cccn1)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000072307221 208829007 /nfs/dbraw/zinc/82/90/07/208829007.db2.gz AOFXJYYCUKTACU-PMACEKPBSA-N 1 2 362.433 3.984 50 0 FHAALO Fc1ccc2[nH]c([C@H]3CCC[N@@H+]3Cc3cnc(-c4ccccn4)nc3)nc2c1 ZINC000077340688 208899083 /nfs/dbraw/zinc/89/90/83/208899083.db2.gz KYMBDXHWOKPWRE-LJQANCHMSA-N 1 2 374.423 3.891 50 0 FHAALO Fc1ccc2[nH]c([C@H]3CCC[N@H+]3Cc3cnc(-c4ccccn4)nc3)nc2c1 ZINC000077340688 208899084 /nfs/dbraw/zinc/89/90/84/208899084.db2.gz KYMBDXHWOKPWRE-LJQANCHMSA-N 1 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COc1cc(C)ccc1CN[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000095454577 209052906 /nfs/dbraw/zinc/05/29/06/209052906.db2.gz LZCAHYULHGVFOL-LEWJYISDSA-N 1 2 374.912 3.819 50 0 FHAALO COc1cc(C)ccc1CN[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000095454577 209052909 /nfs/dbraw/zinc/05/29/09/209052909.db2.gz LZCAHYULHGVFOL-LEWJYISDSA-N 1 2 374.912 3.819 50 0 FHAALO O=C1c2cccc3cccc(c23)N1CN1CC[NH+](Cc2ccsc2)CC1 ZINC000095958430 209090031 /nfs/dbraw/zinc/09/00/31/209090031.db2.gz OVFHBBBXYMVMDN-UHFFFAOYSA-N 1 2 363.486 3.637 50 0 FHAALO CCC[C@H]([NH2+][C@H](C)Cc1ccc(OC)c(OC)c1)C(=O)OC(C)(C)C ZINC000095943445 209088495 /nfs/dbraw/zinc/08/84/95/209088495.db2.gz CMENPTNVFKAYDT-ZBFHGGJFSA-N 1 2 351.487 3.735 50 0 FHAALO O=C(c1ccccc1F)N1CCC(c2[nH+]ccn2Cc2cscn2)CC1 ZINC000095509653 209069727 /nfs/dbraw/zinc/06/97/27/209069727.db2.gz UGWDTHMAOKSQQY-UHFFFAOYSA-N 1 2 370.453 3.547 50 0 FHAALO Cc1ccc(-c2cc(C(=O)N3CCC(c4[nH+]ccn4C(C)C)CC3)[nH]n2)o1 ZINC000095521145 209072751 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Fc1cccc(-n2cc(C[N@@H+](Cc3ccncc3)C[C@H]3CCCO3)cn2)c1 ZINC000215444471 568070901 /nfs/dbraw/zinc/07/09/01/568070901.db2.gz MPKBFTAOAQGRPW-OAQYLSRUSA-N 1 2 366.440 3.588 50 0 FHAALO Fc1cccc(-n2cc(C[N@H+](Cc3ccncc3)C[C@H]3CCCO3)cn2)c1 ZINC000215444471 568070902 /nfs/dbraw/zinc/07/09/02/568070902.db2.gz MPKBFTAOAQGRPW-OAQYLSRUSA-N 1 2 366.440 3.588 50 0 FHAALO COc1cc(OC)cc(OC[C@@H](O)Cn2c3ccccc3[nH+]c2C(C)C)c1 ZINC000000810197 568270327 /nfs/dbraw/zinc/27/03/27/568270327.db2.gz KTKPUXPGODIMKX-HNNXBMFYSA-N 1 2 370.449 3.617 50 0 FHAALO CN(Cc1cc(-c2ccccc2)on1)C(=O)C[N@H+](C)Cc1ccccc1F ZINC000219822362 568306133 /nfs/dbraw/zinc/30/61/33/568306133.db2.gz YZROACXUOKNUIF-UHFFFAOYSA-N 1 2 367.424 3.571 50 0 FHAALO CN(Cc1cc(-c2ccccc2)on1)C(=O)C[N@@H+](C)Cc1ccccc1F ZINC000219822362 568306134 /nfs/dbraw/zinc/30/61/34/568306134.db2.gz YZROACXUOKNUIF-UHFFFAOYSA-N 1 2 367.424 3.571 50 0 FHAALO Cc1nc(NCc2cc(-c3ccccc3Cl)on2)cc(C2CC(O)C2)[nH+]1 ZINC000220545546 568346708 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C[C@H]1CCc2c(C(=O)N3CC[NH+](Cc4ccccc4)CC3)csc2C1 ZINC000017357838 570750406 /nfs/dbraw/zinc/75/04/06/570750406.db2.gz WVDAGBHSSYFZPD-INIZCTEOSA-N 1 2 354.519 3.831 50 0 FHAALO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3cc(F)cc(F)c3)n2)C1 ZINC000012793492 570762263 /nfs/dbraw/zinc/76/22/63/570762263.db2.gz DCTKXEPCGMDNBP-LLVKDONJSA-N 1 2 351.422 3.906 50 0 FHAALO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cc(F)cc(F)c3)n2)C1 ZINC000012793492 570762264 /nfs/dbraw/zinc/76/22/64/570762264.db2.gz DCTKXEPCGMDNBP-LLVKDONJSA-N 1 2 351.422 3.906 50 0 FHAALO O=C(CCCOc1ccccc1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000013070774 570773323 /nfs/dbraw/zinc/77/33/23/570773323.db2.gz DAODONAWWZGXQT-UHFFFAOYSA-N 1 2 372.896 3.843 50 0 FHAALO C[C@]12CC3CC(C(=O)N4CC[NH+](Cc5ccco5)CC4)(C1)C[C@@](C)(C3)C2 ZINC000013322572 570776419 /nfs/dbraw/zinc/77/64/19/570776419.db2.gz QLMDOEDJGCQYDW-QFWMWPAFSA-N 1 2 356.510 3.920 50 0 FHAALO C[N@H+](Cc1ccccc1)Cc1nc2ccccc2c(=O)n1Cc1ccco1 ZINC000014139670 570808496 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Cc1ccc(Sc2ccc(NC(=O)C[NH+]3CCC(O)CC3)cc2)cc1C ZINC000014247681 570815707 /nfs/dbraw/zinc/81/57/07/570815707.db2.gz IXTQUQDLKFPTDS-UHFFFAOYSA-N 1 2 370.518 3.850 50 0 FHAALO FC(F)(F)c1cnc(NCc2ccc(N3CCOCC3)[nH+]c2)c(Cl)c1 ZINC000014306759 570817576 /nfs/dbraw/zinc/81/75/76/570817576.db2.gz GSXVBLPMMZJKNV-UHFFFAOYSA-N 1 2 372.778 3.598 50 0 FHAALO O=C(Nc1cccc(C(F)(F)F)c1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000127111286 570824719 /nfs/dbraw/zinc/82/47/19/570824719.db2.gz XWJICRVDTUGLQO-OAHLLOKOSA-N 1 2 351.328 3.786 50 0 FHAALO Cc1ccc(C[N@@H+](C)Cc2nnc(SCc3ccncc3)n2C)s1 ZINC000014999971 570828352 /nfs/dbraw/zinc/82/83/52/570828352.db2.gz PQYUIXRBBDIHIY-UHFFFAOYSA-N 1 2 359.524 3.504 50 0 FHAALO Cc1ccc(C[N@H+](C)Cc2nnc(SCc3ccncc3)n2C)s1 ZINC000014999971 570828355 /nfs/dbraw/zinc/82/83/55/570828355.db2.gz PQYUIXRBBDIHIY-UHFFFAOYSA-N 1 2 359.524 3.504 50 0 FHAALO Cn1cc[nH+]c1CNC(=O)C[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000015064712 570830990 /nfs/dbraw/zinc/83/09/90/570830990.db2.gz 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3.521 50 0 FHAALO CCOc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1CO ZINC000071735567 571164100 /nfs/dbraw/zinc/16/41/00/571164100.db2.gz VNZWQCCZBAOVDW-HXUWFJFHSA-N 1 2 361.869 3.805 50 0 FHAALO CCOc1ccc(C[N@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1CO ZINC000071735567 571164101 /nfs/dbraw/zinc/16/41/01/571164101.db2.gz VNZWQCCZBAOVDW-HXUWFJFHSA-N 1 2 361.869 3.805 50 0 FHAALO CCOc1ccc(C[N@@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)cc1CO ZINC000071735566 571164108 /nfs/dbraw/zinc/16/41/08/571164108.db2.gz VNZWQCCZBAOVDW-FQEVSTJZSA-N 1 2 361.869 3.805 50 0 FHAALO CCOc1ccc(C[N@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)cc1CO ZINC000071735566 571164109 /nfs/dbraw/zinc/16/41/09/571164109.db2.gz VNZWQCCZBAOVDW-FQEVSTJZSA-N 1 2 361.869 3.805 50 0 FHAALO CN(C(=O)C[N@@H+]1CCC[C@@H](C(=O)c2cc(F)ccc2F)C1)c1ccccc1 ZINC000071752804 571164911 /nfs/dbraw/zinc/16/49/11/571164911.db2.gz RZNOOHCPQQHTKM-OAHLLOKOSA-N 1 2 372.415 3.523 50 0 FHAALO CN(C(=O)C[N@H+]1CCC[C@@H](C(=O)c2cc(F)ccc2F)C1)c1ccccc1 ZINC000071752804 571164915 /nfs/dbraw/zinc/16/49/15/571164915.db2.gz RZNOOHCPQQHTKM-OAHLLOKOSA-N 1 2 372.415 3.523 50 0 FHAALO COc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3nnc(C(C)C)o3)C2)c(C)c1 ZINC000071762313 571165488 /nfs/dbraw/zinc/16/54/88/571165488.db2.gz UOCSFNGVFFQWRD-OAHLLOKOSA-N 1 2 357.454 3.605 50 0 FHAALO COc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3nnc(C(C)C)o3)C2)c(C)c1 ZINC000071762313 571165490 /nfs/dbraw/zinc/16/54/90/571165490.db2.gz UOCSFNGVFFQWRD-OAHLLOKOSA-N 1 2 357.454 3.605 50 0 FHAALO Cc1ccc(Cn2c(CN3CCn4c[nH+]cc4C3)nc3ccccc32)cc1 ZINC000072128331 571170830 /nfs/dbraw/zinc/17/08/30/571170830.db2.gz KGVKZVAMXHGXSX-UHFFFAOYSA-N 1 2 357.461 3.605 50 0 FHAALO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(Cl)cc1F)c1ccccc1F ZINC000012507700 571173091 /nfs/dbraw/zinc/17/30/91/571173091.db2.gz FSMIQXJIOVOOCD-MRXNPFEDSA-N 1 2 361.779 3.871 50 0 FHAALO CCn1cc(CN2CCc3[nH+]c[nH]c3[C@H]2c2cc3ccccc3n2C)c(C)n1 ZINC000072152424 571174689 /nfs/dbraw/zinc/17/46/89/571174689.db2.gz AYAPNODIIGIDMF-JOCHJYFZSA-N 1 2 374.492 3.574 50 0 FHAALO c1nc(-c2ccccc2)sc1CN1CCC[N@H+](Cc2ccncc2)CC1 ZINC000072164722 571176460 /nfs/dbraw/zinc/17/64/60/571176460.db2.gz PPVAXAPGCUPRSG-UHFFFAOYSA-N 1 2 364.518 3.913 50 0 FHAALO c1nc(-c2ccccc2)sc1CN1CCC[N@@H+](Cc2ccncc2)CC1 ZINC000072164722 571176461 /nfs/dbraw/zinc/17/64/61/571176461.db2.gz PPVAXAPGCUPRSG-UHFFFAOYSA-N 1 2 364.518 3.913 50 0 FHAALO O=C(c1ccccn1)N1CC[NH+](Cc2ccc(-c3ccccc3)s2)CC1 ZINC000012989564 571185113 /nfs/dbraw/zinc/18/51/13/571185113.db2.gz FGUXLKJIXIJQHS-UHFFFAOYSA-N 1 2 363.486 3.768 50 0 FHAALO CCc1ccc2nc(NC3=[NH+]CN([C@@H]4CCCC[C@H]4C)CN3)nc(C)c2c1 ZINC000239425728 571195903 /nfs/dbraw/zinc/19/59/03/571195903.db2.gz VCUKEXCNGCUBKI-AUUYWEPGSA-N 1 2 366.513 3.667 50 0 FHAALO CCNc1nc(C)c(C(=O)NCCCc2[nH]c3ccc(C)c(C)c3[nH+]2)s1 ZINC000299775462 571196769 /nfs/dbraw/zinc/19/67/69/571196769.db2.gz FWFAPJWMZUADJE-UHFFFAOYSA-N 1 2 371.510 3.739 50 0 FHAALO Cc1c[nH]c(CN(C)C(=O)C[C@]2(c3ccccc3C)CCOC(C)(C)C2)[nH+]1 ZINC000299783060 571198684 /nfs/dbraw/zinc/19/86/84/571198684.db2.gz NRSQFLKCGYCUEE-JOCHJYFZSA-N 1 2 369.509 3.902 50 0 FHAALO Fc1ccc(-c2cc(NCc3cn4ccccc4[nH+]3)n3nccc3n2)cc1 ZINC000072474709 571199027 /nfs/dbraw/zinc/19/90/27/571199027.db2.gz UWOPNOBXVSWBAA-UHFFFAOYSA-N 1 2 358.380 3.795 50 0 FHAALO O=C(c1cccc2cnccc21)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000072935669 571200376 /nfs/dbraw/zinc/20/03/76/571200376.db2.gz SFBRIOBAYRKJCA-UHFFFAOYSA-N 1 2 365.864 3.846 50 0 FHAALO C[N@@H+]1CC[C@H](NC(=O)[C@@H]2Cc3ccccc3S2)[C@@H]1c1ccc(F)c(F)c1 ZINC000089375099 571201459 /nfs/dbraw/zinc/20/14/59/571201459.db2.gz URZWFIYWJNWTAQ-WDSOQIARSA-N 1 2 374.456 3.543 50 0 FHAALO C[N@H+]1CC[C@H](NC(=O)[C@@H]2Cc3ccccc3S2)[C@@H]1c1ccc(F)c(F)c1 ZINC000089375099 571201461 /nfs/dbraw/zinc/20/14/61/571201461.db2.gz URZWFIYWJNWTAQ-WDSOQIARSA-N 1 2 374.456 3.543 50 0 FHAALO Cc1[nH]cc(-c2cccc(C(=O)N(Cc3c(C)nn(C)c3C)C3CC3)c2)[nH+]1 ZINC000299798413 571202701 /nfs/dbraw/zinc/20/27/01/571202701.db2.gz TZWJRVNWQKFUBE-UHFFFAOYSA-N 1 2 363.465 3.540 50 0 FHAALO COc1cccc([C@@H]2CCCN2C(=O)c2ccc(Cn3cc[nH+]c3)o2)c1 ZINC000077341524 571208079 /nfs/dbraw/zinc/20/80/79/571208079.db2.gz DSNPWEQWFHIKRY-SFHVURJKSA-N 1 2 351.406 3.510 50 0 FHAALO Cc1ccc2[nH]c([C@H]3CCC[N@@H+]3Cc3cnc(N4CCCC4)nc3)nc2c1 ZINC000077353511 571208488 /nfs/dbraw/zinc/20/84/88/571208488.db2.gz HIDKVYQIKOYYDP-LJQANCHMSA-N 1 2 362.481 3.599 50 0 FHAALO Cc1ccc2[nH]c([C@H]3CCC[N@H+]3Cc3cnc(N4CCCC4)nc3)nc2c1 ZINC000077353511 571208490 /nfs/dbraw/zinc/20/84/90/571208490.db2.gz HIDKVYQIKOYYDP-LJQANCHMSA-N 1 2 362.481 3.599 50 0 FHAALO Cc1ccc(-c2cc(C(=O)N(C)C[C@H]3Cc4ccccc4C[N@@H+]3C)n[nH]2)cc1 ZINC000077375554 571209479 /nfs/dbraw/zinc/20/94/79/571209479.db2.gz ZNZIYGDBSMJPPA-HXUWFJFHSA-N 1 2 374.488 3.514 50 0 FHAALO Cc1ccc(-c2cc(C(=O)N(C)C[C@H]3Cc4ccccc4C[N@H+]3C)n[nH]2)cc1 ZINC000077375554 571209480 /nfs/dbraw/zinc/20/94/80/571209480.db2.gz ZNZIYGDBSMJPPA-HXUWFJFHSA-N 1 2 374.488 3.514 50 0 FHAALO Brc1cc2c(cc1C[N@@H+]1CCc3sccc3C1)OCCO2 ZINC000022549656 571216018 /nfs/dbraw/zinc/21/60/18/571216018.db2.gz IQWPPXBZPAQICW-UHFFFAOYSA-N 1 2 366.280 3.840 50 0 FHAALO Brc1cc2c(cc1C[N@H+]1CCc3sccc3C1)OCCO2 ZINC000022549656 571216019 /nfs/dbraw/zinc/21/60/19/571216019.db2.gz IQWPPXBZPAQICW-UHFFFAOYSA-N 1 2 366.280 3.840 50 0 FHAALO Cc1cn2cc(C(=O)N[C@H](c3ccncc3)c3ccc(F)cc3)ccc2[nH+]1 ZINC000082107830 571228392 /nfs/dbraw/zinc/22/83/92/571228392.db2.gz QSNSOBONCJVRPK-FQEVSTJZSA-N 1 2 360.392 3.696 50 0 FHAALO Cn1cc[nH+]c1CC[C@@H]1CCCCN1C(=O)c1cn(C)c2ccccc12 ZINC000082137383 571229055 /nfs/dbraw/zinc/22/90/55/571229055.db2.gz ZQZZLKLQEXFCLW-INIZCTEOSA-N 1 2 350.466 3.539 50 0 FHAALO Cn1c[nH+]cc1-c1cccc(C(=O)N(CC2CCC2)C[C@@H]2CCCO2)c1 ZINC000426511665 571229408 /nfs/dbraw/zinc/22/94/08/571229408.db2.gz KYOGKAZIPPPLSL-IBGZPJMESA-N 1 2 353.466 3.508 50 0 FHAALO CC(C)c1noc(C[N@@H+]2CCC[C@H](c3nccn3Cc3ccccc3)C2)n1 ZINC000085532693 571233629 /nfs/dbraw/zinc/23/36/29/571233629.db2.gz CZWPUQMLYBYKJK-SFHVURJKSA-N 1 2 365.481 3.817 50 0 FHAALO CC(C)c1noc(C[N@H+]2CCC[C@H](c3nccn3Cc3ccccc3)C2)n1 ZINC000085532693 571233631 /nfs/dbraw/zinc/23/36/31/571233631.db2.gz CZWPUQMLYBYKJK-SFHVURJKSA-N 1 2 365.481 3.817 50 0 FHAALO Cc1[nH+]c[nH]c1CSCCNC(=O)[C@@]1(c2ccc(F)cc2)CC1(C)C ZINC000091326726 571239116 /nfs/dbraw/zinc/23/91/16/571239116.db2.gz UUGSDAGJJXASHV-IBGZPJMESA-N 1 2 361.486 3.575 50 0 FHAALO CC(C)c1[nH+]c2cc3c(cc2n1CC(=O)Nc1ccccc1)OCCO3 ZINC000064795220 571242982 /nfs/dbraw/zinc/24/29/82/571242982.db2.gz WVEXVOPDQRQVKZ-UHFFFAOYSA-N 1 2 351.406 3.570 50 0 FHAALO CCc1[nH+]c2cc3c(cc2n1CC(=O)Nc1ccc(Cl)cc1)OCCO3 ZINC000064795148 571243000 /nfs/dbraw/zinc/24/30/00/571243000.db2.gz NTNHVPJLLYIUIN-UHFFFAOYSA-N 1 2 371.824 3.662 50 0 FHAALO CCCNc1cc(N2CCC[C@@H](CCC(=O)N3CCC[C@@H](C)C3)C2)nc[nH+]1 ZINC000169786564 571254020 /nfs/dbraw/zinc/25/40/20/571254020.db2.gz GPOZJPGPIXGRIB-MSOLQXFVSA-N 1 2 373.545 3.554 50 0 FHAALO CCCNc1cc(N2CCC[C@@H](CCC(=O)N3CCC[C@@H](C)C3)C2)[nH+]cn1 ZINC000169786564 571254021 /nfs/dbraw/zinc/25/40/21/571254021.db2.gz GPOZJPGPIXGRIB-MSOLQXFVSA-N 1 2 373.545 3.554 50 0 FHAALO COc1cccc(NC(=O)N2CCC(CCOc3cc[nH+]cc3)CC2)c1 ZINC000065181112 571255912 /nfs/dbraw/zinc/25/59/12/571255912.db2.gz CREHMITYIZLNEI-UHFFFAOYSA-N 1 2 355.438 3.803 50 0 FHAALO CCNc1cc(N2CCC[C@H](CCC(=O)Nc3cccc(C)c3)C2)nc[nH+]1 ZINC000065244956 571257574 /nfs/dbraw/zinc/25/75/74/571257574.db2.gz AQLSLNBZSPPRRF-QGZVFWFLSA-N 1 2 367.497 3.852 50 0 FHAALO CCNc1cc(N2CCC[C@H](CCC(=O)Nc3cccc(C)c3)C2)[nH+]cn1 ZINC000065244956 571257576 /nfs/dbraw/zinc/25/75/76/571257576.db2.gz AQLSLNBZSPPRRF-QGZVFWFLSA-N 1 2 367.497 3.852 50 0 FHAALO O=C(CCc1cc[nH+]c(N2CCCC2)c1)NCc1ccc(F)cc1Cl ZINC000065269606 571259264 /nfs/dbraw/zinc/25/92/64/571259264.db2.gz MECNSGDTCQQZGI-UHFFFAOYSA-N 1 2 361.848 3.723 50 0 FHAALO Cc1cc(NC(=O)N(C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)cc[nH+]1 ZINC000170089903 571262226 /nfs/dbraw/zinc/26/22/26/571262226.db2.gz LFDPWKYEMWAHJJ-HOTGVXAUSA-N 1 2 366.248 3.819 50 0 FHAALO Cn1c2c([nH+]c1[C@@H]1CCCN1C(=O)COc1cccc(Cl)c1)CCCC2 ZINC000170618645 571268631 /nfs/dbraw/zinc/26/86/31/571268631.db2.gz MVFAHYUPNQYDIT-SFHVURJKSA-N 1 2 373.884 3.695 50 0 FHAALO Cn1cc[nH+]c1[C@H](NC(=O)c1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000027415258 571292559 /nfs/dbraw/zinc/29/25/59/571292559.db2.gz ANUOXGOSBMOKCW-MRXNPFEDSA-N 1 2 359.351 3.958 50 0 FHAALO CC[N@H+](CCCNC(=O)c1ccc(Br)o1)c1ccccc1 ZINC000021939411 571336300 /nfs/dbraw/zinc/33/63/00/571336300.db2.gz ACSUBNHPOAXCNZ-UHFFFAOYSA-N 1 2 351.244 3.689 50 0 FHAALO CC[N@@H+](CCCNC(=O)c1ccc(Br)o1)c1ccccc1 ZINC000021939411 571336301 /nfs/dbraw/zinc/33/63/01/571336301.db2.gz ACSUBNHPOAXCNZ-UHFFFAOYSA-N 1 2 351.244 3.689 50 0 FHAALO Cc1[nH]c2ccc(CNC(=O)N3CCCC[C@H]3c3nccs3)cc2[nH+]1 ZINC000584898916 571315914 /nfs/dbraw/zinc/31/59/14/571315914.db2.gz FZPHMERYESHZOG-INIZCTEOSA-N 1 2 355.467 3.765 50 0 FHAALO Cc1[nH]c2cc(CNC(=O)N3CCCC[C@H]3c3nccs3)ccc2[nH+]1 ZINC000584898916 571315915 /nfs/dbraw/zinc/31/59/15/571315915.db2.gz FZPHMERYESHZOG-INIZCTEOSA-N 1 2 355.467 3.765 50 0 FHAALO C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000012693093 571322671 /nfs/dbraw/zinc/32/26/71/571322671.db2.gz WNDMBVYJDCWGJH-KSZLIROESA-N 1 2 368.477 3.702 50 0 FHAALO C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000012693093 571322672 /nfs/dbraw/zinc/32/26/72/571322672.db2.gz WNDMBVYJDCWGJH-KSZLIROESA-N 1 2 368.477 3.702 50 0 FHAALO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc2ccccc2c1 ZINC000007955926 571323346 /nfs/dbraw/zinc/32/33/46/571323346.db2.gz YVLNAULTMXXKQK-UHFFFAOYSA-N 1 2 373.456 3.547 50 0 FHAALO COc1ccc(-c2ncc(C(=O)Nc3ccc[nH+]c3N(C)C)s2)cc1 ZINC000079697022 571327810 /nfs/dbraw/zinc/32/78/10/571327810.db2.gz CREOGDAACQZIFW-UHFFFAOYSA-N 1 2 354.435 3.532 50 0 FHAALO COc1c2c(cc3c1[C@@H](CC(=O)c1ccc(C)cc1C)[N@H+](C)CC3)OCO2 ZINC000020112441 571328009 /nfs/dbraw/zinc/32/80/09/571328009.db2.gz NSRIASSFWODPJL-QGZVFWFLSA-N 1 2 367.445 3.843 50 0 FHAALO COc1c2c(cc3c1[C@@H](CC(=O)c1ccc(C)cc1C)[N@@H+](C)CC3)OCO2 ZINC000020112441 571328010 /nfs/dbraw/zinc/32/80/10/571328010.db2.gz NSRIASSFWODPJL-QGZVFWFLSA-N 1 2 367.445 3.843 50 0 FHAALO C[C@@H](C(=O)N(C)c1ccccc1)[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000096035916 571334232 /nfs/dbraw/zinc/33/42/32/571334232.db2.gz UMDNTJHRNLGTTM-KRWDZBQOSA-N 1 2 371.912 3.509 50 0 FHAALO C[C@@H](C(=O)N(C)c1ccccc1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000096035916 571334233 /nfs/dbraw/zinc/33/42/33/571334233.db2.gz UMDNTJHRNLGTTM-KRWDZBQOSA-N 1 2 371.912 3.509 50 0 FHAALO C[C@H](C(=O)N(C)c1ccccc1)[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000096035917 571334242 /nfs/dbraw/zinc/33/42/42/571334242.db2.gz UMDNTJHRNLGTTM-QGZVFWFLSA-N 1 2 371.912 3.509 50 0 FHAALO C[C@H](C(=O)N(C)c1ccccc1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000096035917 571334243 /nfs/dbraw/zinc/33/42/43/571334243.db2.gz UMDNTJHRNLGTTM-QGZVFWFLSA-N 1 2 371.912 3.509 50 0 FHAALO CCN1CC[NH+]([C@H](c2cccs2)[C@@H](C)NC(=O)c2cccc(C)c2)CC1 ZINC000022460076 571336891 /nfs/dbraw/zinc/33/68/91/571336891.db2.gz BNNOXCNTTHVEHA-XLIONFOSSA-N 1 2 371.550 3.554 50 0 FHAALO Cn1cc[nH+]c1[C@@H](NC(=O)CCc1ccccc1F)c1ccccc1F ZINC000029999664 571344739 /nfs/dbraw/zinc/34/47/39/571344739.db2.gz ISLNKXGSLBWRKW-IBGZPJMESA-N 1 2 355.388 3.537 50 0 FHAALO COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH2+][C@H](C)c2ccc(F)cc2F)c1C ZINC000057713717 571345158 /nfs/dbraw/zinc/34/51/58/571345158.db2.gz UOORAWRKVNFJMO-PWSUYJOCSA-N 1 2 364.392 3.618 50 0 FHAALO COc1cccc(C[N@H+](C)CC(=O)Nc2ccc(Cl)cc2F)c1OC ZINC000003430323 571349575 /nfs/dbraw/zinc/34/95/75/571349575.db2.gz VIWIOVMQCSQZDU-UHFFFAOYSA-N 1 2 366.820 3.567 50 0 FHAALO COc1cccc(C[N@@H+](C)CC(=O)Nc2ccc(Cl)cc2F)c1OC ZINC000003430323 571349576 /nfs/dbraw/zinc/34/95/76/571349576.db2.gz VIWIOVMQCSQZDU-UHFFFAOYSA-N 1 2 366.820 3.567 50 0 FHAALO COCc1nc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)n(-c2cccnc2)n1 ZINC000670461026 571356847 /nfs/dbraw/zinc/35/68/47/571356847.db2.gz ASIDNSFCLLMYIY-IBGZPJMESA-N 1 2 363.465 3.536 50 0 FHAALO COCc1nc([C@@H]2CCCC[N@H+]2Cc2ccccc2)n(-c2cccnc2)n1 ZINC000670461026 571356848 /nfs/dbraw/zinc/35/68/48/571356848.db2.gz ASIDNSFCLLMYIY-IBGZPJMESA-N 1 2 363.465 3.536 50 0 FHAALO Cc1cc2oc(=O)cc(C[N@H+](C)CC(=O)Nc3ccc(F)cc3)c2cc1C ZINC000008121049 571359130 /nfs/dbraw/zinc/35/91/30/571359130.db2.gz ZTSNOIVQEAWRIW-UHFFFAOYSA-N 1 2 368.408 3.619 50 0 FHAALO Cc1cc2oc(=O)cc(C[N@@H+](C)CC(=O)Nc3ccc(F)cc3)c2cc1C ZINC000008121049 571359131 /nfs/dbraw/zinc/35/91/31/571359131.db2.gz ZTSNOIVQEAWRIW-UHFFFAOYSA-N 1 2 368.408 3.619 50 0 FHAALO O=C(CCn1ccc2ccccc21)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000023762987 930740932 /nfs/dbraw/zinc/74/09/32/930740932.db2.gz NUIXVAZUMLRDTI-RMKNXTFCSA-N 1 2 373.500 3.889 50 0 FHAALO COc1cc(C[NH+]2CCN(C/C=C/c3ccccc3)CC2)cc(OC)c1 ZINC000022455315 932067212 /nfs/dbraw/zinc/06/72/12/932067212.db2.gz WYNIOIMBULVRQG-RMKNXTFCSA-N 1 2 352.478 3.535 50 0 FHAALO O=C([C@@H]1C[C@@H]1c1ccccc1)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000027924401 209785062 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CCc1nc2n(n1)C(=O)C([C@@H](c1cccc(C)c1)[NH+]1CCCCC1)S2 ZINC000022853076 570694828 /nfs/dbraw/zinc/69/48/28/570694828.db2.gz SZIWCHIMSLAPEQ-MRXNPFEDSA-N 1 2 356.495 3.943 50 0 FHAALO Cc1nc2cc(N3C(=O)[C@@H]4C[C@H]3C[N@H+]4Cc3ccsc3)ccc2s1 ZINC000011815349 570707526 /nfs/dbraw/zinc/70/75/26/570707526.db2.gz HZXFDDMBMAQDEW-HOCLYGCPSA-N 1 2 355.488 3.656 50 0 FHAALO Cc1nc2cc(N3C(=O)[C@@H]4C[C@H]3C[N@@H+]4Cc3ccsc3)ccc2s1 ZINC000011815349 570707527 /nfs/dbraw/zinc/70/75/27/570707527.db2.gz HZXFDDMBMAQDEW-HOCLYGCPSA-N 1 2 355.488 3.656 50 0 FHAALO CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000013744954 570788903 /nfs/dbraw/zinc/78/89/03/570788903.db2.gz RMPGOYCIIWWXKA-GOSISDBHSA-N 1 2 373.884 3.550 50 0 FHAALO C[C@@H]1CCC[N@@H+]([C@@]2(O)c3ccccc3N(Cc3ccccc3Cl)C2=O)C1 ZINC000169679151 570801671 /nfs/dbraw/zinc/80/16/71/570801671.db2.gz OUNDQKWISRTBFZ-QVKFZJNVSA-N 1 2 370.880 3.764 50 0 FHAALO C[C@@H]1CCC[N@H+]([C@@]2(O)c3ccccc3N(Cc3ccccc3Cl)C2=O)C1 ZINC000169679151 570801672 /nfs/dbraw/zinc/80/16/72/570801672.db2.gz OUNDQKWISRTBFZ-QVKFZJNVSA-N 1 2 370.880 3.764 50 0 FHAALO C[C@@H](C(=O)Nc1ccccc1Cl)[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000014018069 570801993 /nfs/dbraw/zinc/80/19/93/570801993.db2.gz SBXWPLQJWPQICD-HNNXBMFYSA-N 1 2 368.868 3.985 50 0 FHAALO C[C@@H](C(=O)Nc1ccccc1Cl)[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000014018069 570801995 /nfs/dbraw/zinc/80/19/95/570801995.db2.gz SBXWPLQJWPQICD-HNNXBMFYSA-N 1 2 368.868 3.985 50 0 FHAALO C[N@H+](Cc1ccc2c(c1)OCO2)[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000014085658 570804171 /nfs/dbraw/zinc/80/41/71/570804171.db2.gz DVHWGXPINIFKPA-OAQYLSRUSA-N 1 2 366.461 3.601 50 0 FHAALO C[N@@H+](Cc1ccc2c(c1)OCO2)[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000014085658 570804172 /nfs/dbraw/zinc/80/41/72/570804172.db2.gz DVHWGXPINIFKPA-OAQYLSRUSA-N 1 2 366.461 3.601 50 0 FHAALO O=C(CC[C@H]1CCCN(c2cc(NC3CC3)[nH+]cn2)C1)Nc1ccccc1 ZINC000065245327 570825335 /nfs/dbraw/zinc/82/53/35/570825335.db2.gz BRKKBLQVMPEWKD-MRXNPFEDSA-N 1 2 365.481 3.686 50 0 FHAALO O=C(CC[C@H]1CCCN(c2cc(NC3CC3)nc[nH+]2)C1)Nc1ccccc1 ZINC000065245327 570825339 /nfs/dbraw/zinc/82/53/39/570825339.db2.gz BRKKBLQVMPEWKD-MRXNPFEDSA-N 1 2 365.481 3.686 50 0 FHAALO CSc1nnc(C[N@H+](C)Cc2ccc(C(C)C)cc2)n1C[C@H]1CCCO1 ZINC000014889390 570825529 /nfs/dbraw/zinc/82/55/29/570825529.db2.gz PACZKSVZKXNUQM-GOSISDBHSA-N 1 2 374.554 3.934 50 0 FHAALO CSc1nnc(C[N@@H+](C)Cc2ccc(C(C)C)cc2)n1C[C@H]1CCCO1 ZINC000014889390 570825531 /nfs/dbraw/zinc/82/55/31/570825531.db2.gz PACZKSVZKXNUQM-GOSISDBHSA-N 1 2 374.554 3.934 50 0 FHAALO O=C(c1ccc(-n2cc[nH+]c2)nc1)N(Cc1ccco1)Cc1cccs1 ZINC000024462983 570842371 /nfs/dbraw/zinc/84/23/71/570842371.db2.gz AXNUFQSLAFQEKT-UHFFFAOYSA-N 1 2 364.430 3.764 50 0 FHAALO C[C@H](C(=O)NCc1ccccc1)[N@H+](C)Cc1ccccc1Br ZINC000016388256 570855160 /nfs/dbraw/zinc/85/51/60/570855160.db2.gz PJWUXVDWCIOUCH-CQSZACIVSA-N 1 2 361.283 3.586 50 0 FHAALO C[C@H](C(=O)NCc1ccccc1)[N@@H+](C)Cc1ccccc1Br ZINC000016388256 570855165 /nfs/dbraw/zinc/85/51/65/570855165.db2.gz PJWUXVDWCIOUCH-CQSZACIVSA-N 1 2 361.283 3.586 50 0 FHAALO CCOc1ccc(N2C(=O)C[C@@H](n3c[nH+]c4cc(C)c(C)cc43)C2=O)cc1 ZINC000017724481 570873832 /nfs/dbraw/zinc/87/38/32/570873832.db2.gz XLPONQPUIZURKH-LJQANCHMSA-N 1 2 363.417 3.556 50 0 FHAALO O=C(c1ccc(Cl)cc1)N1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000019615925 570896238 /nfs/dbraw/zinc/89/62/38/570896238.db2.gz NWBSGRIOWXKWRS-UHFFFAOYSA-N 1 2 369.774 3.716 50 0 FHAALO C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000107853752 570899075 /nfs/dbraw/zinc/89/90/75/570899075.db2.gz GASAWFJOPOXFTN-OAHLLOKOSA-N 1 2 364.449 3.971 50 0 FHAALO COc1cccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H](C)c2nnc[nH]2)c1 ZINC000019742899 570901666 /nfs/dbraw/zinc/90/16/66/570901666.db2.gz DTDGHDXYEAYSGD-OAHLLOKOSA-N 1 2 374.448 3.517 50 0 FHAALO CCOC(=O)c1c(NC(=O)C[NH+]2CCCCC2)sc2c1[C@@H](C)CCC2 ZINC000019796990 570903304 /nfs/dbraw/zinc/90/33/04/570903304.db2.gz XTUUSADQGCCLSX-ZDUSSCGKSA-N 1 2 364.511 3.789 50 0 FHAALO C[NH+]1CCN(C2(CNC(=O)c3ccc(C(C)(C)C)cc3)CCCCC2)CC1 ZINC000019902182 570905866 /nfs/dbraw/zinc/90/58/66/570905866.db2.gz NKXGFAHVHMZMBQ-UHFFFAOYSA-N 1 2 371.569 3.664 50 0 FHAALO CC(C)CN1c2ccccc2[C@@]2([NH2+]CCc3c4cc(F)ccc4[nH]c32)C1=O ZINC000020064206 570909400 /nfs/dbraw/zinc/90/94/00/570909400.db2.gz GXBSGKUQPQHGSS-QFIPXVFZSA-N 1 2 363.436 3.699 50 0 FHAALO CCCOC(=O)c1ccc(NC(=O)Cn2c(C)[nH+]c3ccccc32)cc1 ZINC000032942894 570914339 /nfs/dbraw/zinc/91/43/39/570914339.db2.gz QSDYSLTUMHVNCI-UHFFFAOYSA-N 1 2 351.406 3.550 50 0 FHAALO C[N@@H+]1CCc2c(sc3ncn4nc(-c5ccccc5Cl)nc4c23)C1 ZINC000020548954 570919753 /nfs/dbraw/zinc/91/97/53/570919753.db2.gz BFTKEBYLKKKCNF-UHFFFAOYSA-N 1 2 355.854 3.647 50 0 FHAALO C[N@H+]1CCc2c(sc3ncn4nc(-c5ccccc5Cl)nc4c23)C1 ZINC000020548954 570919756 /nfs/dbraw/zinc/91/97/56/570919756.db2.gz BFTKEBYLKKKCNF-UHFFFAOYSA-N 1 2 355.854 3.647 50 0 FHAALO O=c1[nH]c(=S)n(-c2ccc(Cl)cc2)c2c1C[N@H+](C1CCCC1)CN2 ZINC000020567746 570919828 /nfs/dbraw/zinc/91/98/28/570919828.db2.gz YQWPSEVXFZTWBS-UHFFFAOYSA-N 1 2 362.886 3.676 50 0 FHAALO O=c1[nH]c(=S)n(-c2ccc(Cl)cc2)c2c1C[N@@H+](C1CCCC1)CN2 ZINC000020567746 570919831 /nfs/dbraw/zinc/91/98/31/570919831.db2.gz YQWPSEVXFZTWBS-UHFFFAOYSA-N 1 2 362.886 3.676 50 0 FHAALO C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](Cc1nnnn1C1CC1)C1CC1 ZINC000072018903 570927737 /nfs/dbraw/zinc/92/77/37/570927737.db2.gz JPYSALGLFRAKBM-LLVKDONJSA-N 1 2 351.376 3.752 50 0 FHAALO C[C@H](c1cccc(C(F)(F)F)c1)[N@@H+](Cc1nnnn1C1CC1)C1CC1 ZINC000072018903 570927740 /nfs/dbraw/zinc/92/77/40/570927740.db2.gz JPYSALGLFRAKBM-LLVKDONJSA-N 1 2 351.376 3.752 50 0 FHAALO CC1CC[NH+](Cn2nc(-c3ccncc3)n(Cc3ccco3)c2=S)CC1 ZINC000021321703 570929447 /nfs/dbraw/zinc/92/94/47/570929447.db2.gz IVNUKFQLVYEYNN-UHFFFAOYSA-N 1 2 369.494 3.807 50 0 FHAALO C[C@H]1CCCC[C@@H]1OCCNC(=O)Nc1cccc(Cn2cc[nH+]c2)c1 ZINC000048288453 570941199 /nfs/dbraw/zinc/94/11/99/570941199.db2.gz KUDOUDWBAPPHCE-LPHOPBHVSA-N 1 2 356.470 3.648 50 0 FHAALO C[C@H](NC(=O)C[N@@H+]1CCc2sccc2C1)c1ccc2c(c1)CCCC2 ZINC000022277687 570942209 /nfs/dbraw/zinc/94/22/09/570942209.db2.gz NQWJHGNAXZJLGP-HNNXBMFYSA-N 1 2 354.519 3.862 50 0 FHAALO C[C@H](NC(=O)C[N@H+]1CCc2sccc2C1)c1ccc2c(c1)CCCC2 ZINC000022277687 570942212 /nfs/dbraw/zinc/94/22/12/570942212.db2.gz NQWJHGNAXZJLGP-HNNXBMFYSA-N 1 2 354.519 3.862 50 0 FHAALO Cc1ccc2c(CN3CC[NH+](Cc4cccc(F)c4)CC3)cc(=O)oc2c1 ZINC000022752975 570949316 /nfs/dbraw/zinc/94/93/16/570949316.db2.gz QKYFTJAFLSJTGQ-UHFFFAOYSA-N 1 2 366.436 3.558 50 0 biogenic,in-vitro FHAALO Cc1ccc2c(C[NH+]3CCN(Cc4cccc(F)c4)CC3)cc(=O)oc2c1 ZINC000022752975 570949320 /nfs/dbraw/zinc/94/93/20/570949320.db2.gz QKYFTJAFLSJTGQ-UHFFFAOYSA-N 1 2 366.436 3.558 50 0 biogenic,in-vitro FHAALO C[C@H](C(=O)Nc1ccccc1)N1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000022772320 570949600 /nfs/dbraw/zinc/94/96/00/570949600.db2.gz YCOADSIVEZLZPX-CQSZACIVSA-N 1 2 363.914 3.546 50 0 FHAALO CSc1ccc(CN2CC[N@H+](Cc3ccccc3F)[C@H](CCO)C2)cc1 ZINC000022853599 570951428 /nfs/dbraw/zinc/95/14/28/570951428.db2.gz REGPRCAUHNQXCI-LJQANCHMSA-N 1 2 374.525 3.616 50 0 FHAALO CSc1ccc(CN2CC[N@@H+](Cc3ccccc3F)[C@H](CCO)C2)cc1 ZINC000022853599 570951431 /nfs/dbraw/zinc/95/14/31/570951431.db2.gz REGPRCAUHNQXCI-LJQANCHMSA-N 1 2 374.525 3.616 50 0 FHAALO O=C(Nc1ccc(F)cc1)c1nnc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)s1 ZINC000022893100 570952266 /nfs/dbraw/zinc/95/22/66/570952266.db2.gz UCEURENELBHAFF-UONOGXRCSA-N 1 2 374.485 3.942 50 0 FHAALO O=C(Nc1ccc(F)cc1)c1nnc(C[N@H+]2CC[C@@H]3CCCC[C@@H]3C2)s1 ZINC000022893100 570952267 /nfs/dbraw/zinc/95/22/67/570952267.db2.gz UCEURENELBHAFF-UONOGXRCSA-N 1 2 374.485 3.942 50 0 FHAALO C[C@@H](C(=O)Nc1cccc(Cl)c1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000022912754 570952778 /nfs/dbraw/zinc/95/27/78/570952778.db2.gz TYOAXQSQXITKPQ-AWEZNQCLSA-N 1 2 363.914 3.546 50 0 FHAALO CC[N@H+](Cc1ccc(C(F)(F)F)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000023718708 570966934 /nfs/dbraw/zinc/96/69/34/570966934.db2.gz DBVSCYUYNOMERH-UHFFFAOYSA-N 1 2 361.367 3.964 50 0 FHAALO CC[N@@H+](Cc1ccc(C(F)(F)F)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000023718708 570966938 /nfs/dbraw/zinc/96/69/38/570966938.db2.gz DBVSCYUYNOMERH-UHFFFAOYSA-N 1 2 361.367 3.964 50 0 FHAALO Cc1c2ccc3ccccc3c2oc1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000023845394 570968279 /nfs/dbraw/zinc/96/82/79/570968279.db2.gz DBQPVMZZAQAVRP-UHFFFAOYSA-N 1 2 366.461 3.735 50 0 FHAALO CC(C)c1ccc(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000024045458 570970803 /nfs/dbraw/zinc/97/08/03/570970803.db2.gz UURVWAQQQUHUMU-NRFANRHFSA-N 1 2 352.478 3.613 50 0 FHAALO O=C(Nc1cccc(Cn2cc[nH+]c2)c1)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000025175139 570992291 /nfs/dbraw/zinc/99/22/91/570992291.db2.gz MVTSRAUUXIPVKO-SFHVURJKSA-N 1 2 353.809 3.527 50 0 FHAALO Cc1ccccc1C[NH+]1CCN(C(=O)c2cc(-c3cccs3)on2)CC1 ZINC000025320503 570993540 /nfs/dbraw/zinc/99/35/40/570993540.db2.gz YALRDOHJIRJDLE-UHFFFAOYSA-N 1 2 367.474 3.670 50 0 FHAALO C[C@H](NC(=S)Nc1ccc(F)cc1)[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000025514843 570996949 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OCCNc1[nH+]c2ccccc2n1Cc1c(Cl)ccc2cccnc21 ZINC000054172885 571202911 /nfs/dbraw/zinc/20/29/11/571202911.db2.gz IYIPMKDWJXKODU-UHFFFAOYSA-N 1 2 352.825 3.690 50 0 FHAALO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1nccn1Cc1ccccc1 ZINC000026906907 571203110 /nfs/dbraw/zinc/20/31/10/571203110.db2.gz LILVGNDOFIBKRI-GOSISDBHSA-N 1 2 372.476 3.705 50 0 FHAALO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1nccn1Cc1ccccc1 ZINC000026906907 571203113 /nfs/dbraw/zinc/20/31/13/571203113.db2.gz LILVGNDOFIBKRI-GOSISDBHSA-N 1 2 372.476 3.705 50 0 FHAALO COc1cc(/C=C\C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cc(OC)c1 ZINC000054224480 571204637 /nfs/dbraw/zinc/20/46/37/571204637.db2.gz FZJOICFLUPEPET-UTCJRWHESA-N 1 2 367.380 3.681 50 0 FHAALO CC(C)(C)c1[nH+]c2ccccn2c1-c1ccc(C(=O)N2CCOCC2)cc1 ZINC000534577644 571204754 /nfs/dbraw/zinc/20/47/54/571204754.db2.gz HQLGAKMKHRWLHT-UHFFFAOYSA-N 1 2 363.461 3.771 50 0 FHAALO CC(C)[C@H](NC(=O)N(C)Cc1cc2cc(F)ccc2[nH]1)c1[nH+]ccn1C ZINC000534585999 571205285 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FHAALO COc1cccnc1-c1ccc(C(=O)NCc2c[nH+]cn2CC(C)C)cc1 ZINC000426479090 571227614 /nfs/dbraw/zinc/22/76/14/571227614.db2.gz YIPLPRPDCICPBQ-UHFFFAOYSA-N 1 2 364.449 3.540 50 0 FHAALO CC(C)c1cc(CN(C)C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)on1 ZINC000426485501 571227845 /nfs/dbraw/zinc/22/78/45/571227845.db2.gz AMKBNHMAHMHTIA-LJQANCHMSA-N 1 2 367.453 3.577 50 0 FHAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc2nc(-c3ccccc3)cn2c1)C1CC1 ZINC000082096376 571227886 /nfs/dbraw/zinc/22/78/86/571227886.db2.gz AIGWNTHQJVXMHR-FQEVSTJZSA-N 1 2 371.444 3.616 50 0 FHAALO Cc1nc(-n2ccnc2)cc(Nc2ccc(NC(=O)c3ccccc3)cc2)[nH+]1 ZINC000082230217 571229671 /nfs/dbraw/zinc/22/96/71/571229671.db2.gz RBNPNWGTFCADDV-UHFFFAOYSA-N 1 2 370.416 3.967 50 0 FHAALO Cc1nc(-n2ccnc2)cc(Nc2ccc(NC(=O)c3ccco3)cc2)[nH+]1 ZINC000082230219 571229781 /nfs/dbraw/zinc/22/97/81/571229781.db2.gz NOFWAHZGECWHLD-UHFFFAOYSA-N 1 2 360.377 3.560 50 0 FHAALO O=C(c1ccncc1)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccc(F)c(Cl)c2)C1 ZINC000091505760 571240261 /nfs/dbraw/zinc/24/02/61/571240261.db2.gz MCVAHVZBXJQOPD-NVXWUHKLSA-N 1 2 373.859 3.611 50 0 FHAALO O=C(c1ccncc1)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccc(F)c(Cl)c2)C1 ZINC000091505760 571240262 /nfs/dbraw/zinc/24/02/62/571240262.db2.gz MCVAHVZBXJQOPD-NVXWUHKLSA-N 1 2 373.859 3.611 50 0 FHAALO Nc1[nH+]c(-c2ccccc2)c2cc3c(nn12)C[C@H](c1ccccc1)CC3=O ZINC000169681370 571247154 /nfs/dbraw/zinc/24/71/54/571247154.db2.gz SMXUIXUSMXSLFJ-INIZCTEOSA-N 1 2 354.413 3.891 50 0 FHAALO CC(C)c1ccc(C[NH2+][C@@H]2CNC(=O)c3cc(-c4cccs4)nn32)cc1 ZINC000169762637 571252423 /nfs/dbraw/zinc/25/24/23/571252423.db2.gz CRONPXLYWNQLLJ-IBGZPJMESA-N 1 2 366.490 3.767 50 0 FHAALO CC[C@H](C)NC(=O)c1ccc(-c2ccc(N3CCSCC3)[nH+]c2)cc1 ZINC000065178309 571256125 /nfs/dbraw/zinc/25/61/25/571256125.db2.gz NSGQYQASAWAWAM-HNNXBMFYSA-N 1 2 355.507 3.830 50 0 FHAALO CCCNc1cc(N2CCC[C@H](CCC(=O)Nc3ccccc3)C2)nc[nH+]1 ZINC000065244880 571257513 /nfs/dbraw/zinc/25/75/13/571257513.db2.gz KGFVBZNLHGHVFH-QGZVFWFLSA-N 1 2 367.497 3.934 50 0 FHAALO CCCNc1cc(N2CCC[C@H](CCC(=O)Nc3ccccc3)C2)[nH+]cn1 ZINC000065244880 571257514 /nfs/dbraw/zinc/25/75/14/571257514.db2.gz KGFVBZNLHGHVFH-QGZVFWFLSA-N 1 2 367.497 3.934 50 0 FHAALO CCNc1cc(N2CCC(CCC(=O)Nc3ccc(C)cc3)CC2)nc[nH+]1 ZINC000065274008 571259860 /nfs/dbraw/zinc/25/98/60/571259860.db2.gz LEAXXZAPXAJNDC-UHFFFAOYSA-N 1 2 367.497 3.852 50 0 FHAALO CCNc1cc(N2CCC(CCC(=O)Nc3ccc(C)cc3)CC2)[nH+]cn1 ZINC000065274008 571259862 /nfs/dbraw/zinc/25/98/62/571259862.db2.gz LEAXXZAPXAJNDC-UHFFFAOYSA-N 1 2 367.497 3.852 50 0 FHAALO O=C(Oc1ccc(Br)cc1F)N1CCC(n2cc[nH+]c2)CC1 ZINC000170597259 571266614 /nfs/dbraw/zinc/26/66/14/571266614.db2.gz GOABDPYWAZRKJV-UHFFFAOYSA-N 1 2 368.206 3.621 50 0 FHAALO CCOc1ccc(NC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000013324823 571270728 /nfs/dbraw/zinc/27/07/28/571270728.db2.gz ZPOBDSNRVARGAL-UHFFFAOYSA-N 1 2 355.438 3.562 50 0 FHAALO Cc1ccc(N2CC[N@@H+](CC(=O)Nc3cc(C)ccc3C)C[C@@H]2C)cc1 ZINC000013737015 571271374 /nfs/dbraw/zinc/27/13/74/571271374.db2.gz PDFKFKTTWXERBC-IBGZPJMESA-N 1 2 351.494 3.761 50 0 FHAALO Cc1ccc(N2CC[N@H+](CC(=O)Nc3cc(C)ccc3C)C[C@@H]2C)cc1 ZINC000013737015 571271375 /nfs/dbraw/zinc/27/13/75/571271375.db2.gz PDFKFKTTWXERBC-IBGZPJMESA-N 1 2 351.494 3.761 50 0 FHAALO O=C(C[N@H+]1CC[C@H]1c1ccc(Cl)cc1)NCCCOCc1ccccc1 ZINC000076093268 571274375 /nfs/dbraw/zinc/27/43/75/571274375.db2.gz SPKBTPZXQSGTTD-FQEVSTJZSA-N 1 2 372.896 3.810 50 0 FHAALO O=C(C[N@@H+]1CC[C@H]1c1ccc(Cl)cc1)NCCCOCc1ccccc1 ZINC000076093268 571274376 /nfs/dbraw/zinc/27/43/76/571274376.db2.gz SPKBTPZXQSGTTD-FQEVSTJZSA-N 1 2 372.896 3.810 50 0 FHAALO Cn1c(=S)n(C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)nc1C1CC1 ZINC000054466339 571277944 /nfs/dbraw/zinc/27/79/44/571277944.db2.gz YNGJAELUZWRXLX-CQSZACIVSA-N 1 2 369.494 3.807 50 0 FHAALO Cn1c(=S)n(C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)nc1C1CC1 ZINC000054466339 571277946 /nfs/dbraw/zinc/27/79/46/571277946.db2.gz YNGJAELUZWRXLX-CQSZACIVSA-N 1 2 369.494 3.807 50 0 FHAALO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2cccc(F)c2)c(OC)c1 ZINC000007739544 571287708 /nfs/dbraw/zinc/28/77/08/571287708.db2.gz XOUMIOQZZYVLTQ-SFHVURJKSA-N 1 2 358.413 3.619 50 0 FHAALO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2cccc(F)c2)c(OC)c1 ZINC000007739544 571287710 /nfs/dbraw/zinc/28/77/10/571287710.db2.gz XOUMIOQZZYVLTQ-SFHVURJKSA-N 1 2 358.413 3.619 50 0 FHAALO Nc1c(Cl)cc(NC(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)cc1Cl ZINC000066042642 571289776 /nfs/dbraw/zinc/28/97/76/571289776.db2.gz BSZLYUIGSFWEIP-LLVKDONJSA-N 1 2 365.264 3.826 50 0 FHAALO O=C(NC[C@@H](c1ccco1)[NH+]1CCSCC1)Nc1ccccc1Cl ZINC000253400584 571312205 /nfs/dbraw/zinc/31/22/05/571312205.db2.gz LKAGZUZDFYUXAW-HNNXBMFYSA-N 1 2 365.886 3.845 50 0 FHAALO Cc1cc(NC(=O)C[N@@H+](C)[C@@H](c2ccccc2)c2ccc(F)cc2)no1 ZINC000055102538 571319863 /nfs/dbraw/zinc/31/98/63/571319863.db2.gz GKQYENRVNCCSMM-FQEVSTJZSA-N 1 2 353.397 3.782 50 0 FHAALO Cc1cc(NC(=O)C[N@H+](C)[C@@H](c2ccccc2)c2ccc(F)cc2)no1 ZINC000055102538 571319864 /nfs/dbraw/zinc/31/98/64/571319864.db2.gz GKQYENRVNCCSMM-FQEVSTJZSA-N 1 2 353.397 3.782 50 0 FHAALO CSc1nc2c(sc3nc(CC(C)C)c4c(c32)CCC4)c(NN)[nH+]1 ZINC000002383730 571320974 /nfs/dbraw/zinc/32/09/74/571320974.db2.gz ICLIUDUKRCBNGL-UHFFFAOYSA-N 1 2 359.524 3.934 50 0 FHAALO CSc1nc2c3c4c(c(-c5ccco5)nc3sc2c(NN)[nH+]1)CCC4 ZINC000002446541 571322453 /nfs/dbraw/zinc/32/24/53/571322453.db2.gz YHQGSYSPZUAFKE-UHFFFAOYSA-N 1 2 369.475 3.996 50 0 FHAALO Cc1ccc(C(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)cn1 ZINC000328595960 571323692 /nfs/dbraw/zinc/32/36/92/571323692.db2.gz LPRRKYJIPBBEME-UHFFFAOYSA-N 1 2 354.841 3.583 50 0 FHAALO Cc1[nH]c2ccccc2c1C1N2CC3(C(C)C)C[NH+]1CC(C(C)C)(C2)C3=O ZINC000019323141 571324089 /nfs/dbraw/zinc/32/40/89/571324089.db2.gz BCYHOAUDLKDRLV-UHFFFAOYSA-N 1 2 365.521 3.974 50 0 FHAALO COc1ccc(C2(NC(=O)NCCCn3cc[nH+]c3)CCCCCC2)cc1 ZINC000078822585 571326357 /nfs/dbraw/zinc/32/63/57/571326357.db2.gz OOPRWJZAMMRPGD-UHFFFAOYSA-N 1 2 370.497 3.831 50 0 FHAALO O=C(N1CC([N@@H+]2CCc3sccc3C2)C1)C1(c2cccs2)CCCC1 ZINC000390829092 571328383 /nfs/dbraw/zinc/32/83/83/571328383.db2.gz WPTPZEVPEQFDSD-UHFFFAOYSA-N 1 2 372.559 3.891 50 0 FHAALO O=C(N1CC([N@H+]2CCc3sccc3C2)C1)C1(c2cccs2)CCCC1 ZINC000390829092 571328384 /nfs/dbraw/zinc/32/83/84/571328384.db2.gz WPTPZEVPEQFDSD-UHFFFAOYSA-N 1 2 372.559 3.891 50 0 FHAALO O=C(c1cc2c(s1)CCCCC2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000028086544 571337962 /nfs/dbraw/zinc/33/79/62/571337962.db2.gz PGGJBTQNDGYRKF-UHFFFAOYSA-N 1 2 354.519 3.975 50 0 FHAALO CCCC[N@H+](CCCNC(=O)c1c(C)cc(=O)oc1C)c1ccccc1 ZINC000003040116 571343910 /nfs/dbraw/zinc/34/39/10/571343910.db2.gz FKDCMBALBKERAZ-UHFFFAOYSA-N 1 2 356.466 3.683 50 0 FHAALO CCCC[N@@H+](CCCNC(=O)c1c(C)cc(=O)oc1C)c1ccccc1 ZINC000003040116 571343911 /nfs/dbraw/zinc/34/39/11/571343911.db2.gz FKDCMBALBKERAZ-UHFFFAOYSA-N 1 2 356.466 3.683 50 0 FHAALO Cn1cc[nH+]c1[C@H](NC(=O)CCc1ccccc1F)c1ccccc1F ZINC000029999666 571344741 /nfs/dbraw/zinc/34/47/41/571344741.db2.gz ISLNKXGSLBWRKW-LJQANCHMSA-N 1 2 355.388 3.537 50 0 FHAALO Cc1ccc(-c2ccsc2C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000057818758 571345487 /nfs/dbraw/zinc/34/54/87/571345487.db2.gz KRHRWVZJKPJWND-GOSISDBHSA-N 1 2 370.518 3.660 50 0 FHAALO Cc1ccccc1CNC(=O)C1CCN(c2[nH+]cccc2-n2cccc2)CC1 ZINC000033034645 930652129 /nfs/dbraw/zinc/65/21/29/930652129.db2.gz BCVWLWCVRQEVCC-UHFFFAOYSA-N 1 2 374.488 3.714 50 0 FHAALO Cc1c[nH+]c(-c2ccncc2)n1C1CCN(C(=O)Cc2ccccc2)CC1 ZINC000257188684 942634715 /nfs/dbraw/zinc/63/47/15/942634715.db2.gz GFCJTHJNPJESOM-UHFFFAOYSA-N 1 2 360.461 3.660 50 0 FHAALO CC1(C(=O)N2CCC3(CC[C@@H](COc4cc[nH+]cc4)O3)CC2)CCCCC1 ZINC000257189220 942651274 /nfs/dbraw/zinc/65/12/74/942651274.db2.gz HTEAYVQEKUWTAY-IBGZPJMESA-N 1 2 372.509 3.971 50 0 FHAALO O=C(Nc1cccc(-c2ccco2)c1)C1CC[NH+](Cc2ccon2)CC1 ZINC000014949956 947968185 /nfs/dbraw/zinc/96/81/85/947968185.db2.gz QDBVOFCXODMOLV-UHFFFAOYSA-N 1 2 351.406 3.785 50 0 FHAALO O=C(COc1ccc(F)cc1)Nc1cccc2ccc(-n3cc[nH+]c3)nc21 ZINC000049028045 209332317 /nfs/dbraw/zinc/33/23/17/209332317.db2.gz AEJXIGXGKRRHPD-UHFFFAOYSA-N 1 2 362.364 3.577 50 0 FHAALO O=C(Nc1cccc2ccc(-n3cc[nH+]c3)nc21)c1cc(-c2ccco2)on1 ZINC000049028021 209331841 /nfs/dbraw/zinc/33/18/41/209331841.db2.gz NWDBAZHNAZQJEP-UHFFFAOYSA-N 1 2 371.356 3.921 50 0 FHAALO Cc1cccc2c(=O)[nH]c(C[NH2+][C@H](C)c3ccccc3Br)nc12 ZINC000049597285 209336161 /nfs/dbraw/zinc/33/61/61/209336161.db2.gz UWVWUZVYKCAKMA-GFCCVEGCSA-N 1 2 372.266 3.845 50 0 FHAALO CCOc1ccccc1NC(=O)C[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000105363561 209266068 /nfs/dbraw/zinc/26/60/68/209266068.db2.gz GZPZVXJNVFAUAV-UHFFFAOYSA-N 1 2 352.434 3.519 50 0 FHAALO CCOc1ccccc1NC(=O)C[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000105363561 209266069 /nfs/dbraw/zinc/26/60/69/209266069.db2.gz GZPZVXJNVFAUAV-UHFFFAOYSA-N 1 2 352.434 3.519 50 0 FHAALO O=C(CN1c2ccccc2N2CCC[NH+]=C12)c1ccc(Br)cc1 ZINC000100552692 209214317 /nfs/dbraw/zinc/21/43/17/209214317.db2.gz XKUJDHBDHCQMJI-UHFFFAOYSA-N 1 2 370.250 3.718 50 0 FHAALO Cc1oc(-c2ccsc2)nc1C[N@H+](C)C[C@H]1COc2ccccc2O1 ZINC000096879101 209160186 /nfs/dbraw/zinc/16/01/86/209160186.db2.gz JNHLEJSLCRZBBD-HNNXBMFYSA-N 1 2 356.447 3.983 50 0 FHAALO Cc1oc(-c2ccsc2)nc1C[N@@H+](C)C[C@H]1COc2ccccc2O1 ZINC000096879101 209160190 /nfs/dbraw/zinc/16/01/90/209160190.db2.gz JNHLEJSLCRZBBD-HNNXBMFYSA-N 1 2 356.447 3.983 50 0 FHAALO C[C@H](CCNC(=O)Nc1cccc(NC(=O)C2CCCC2)c1)n1cc[nH+]c1 ZINC000096180355 209132379 /nfs/dbraw/zinc/13/23/79/209132379.db2.gz CPZBIXVEWMPCDF-OAHLLOKOSA-N 1 2 369.469 3.785 50 0 FHAALO CCc1n[nH]c(C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+]2CCCC2)c1C ZINC000096164583 209129379 /nfs/dbraw/zinc/12/93/79/209129379.db2.gz CHZYADQFFGJDFN-KRWDZBQOSA-N 1 2 360.889 3.501 50 0 FHAALO O=C(NCCCCCc1[nH]c2ccccc2[nH+]1)c1cc(=O)[nH]c2ccccc21 ZINC000096116584 209113934 /nfs/dbraw/zinc/11/39/34/209113934.db2.gz IHMPWHQHTNZDCB-UHFFFAOYSA-N 1 2 374.444 3.547 50 0 FHAALO C[C@@H](CNC(=O)C1CCN(c2[nH]c3ccccc3[nH+]2)CC1)c1ccccc1 ZINC000004955246 207066423 /nfs/dbraw/zinc/06/64/23/207066423.db2.gz GELJEINWCDNYFL-INIZCTEOSA-N 1 2 362.477 3.699 50 0 FHAALO COc1cc2c(cc1OC)[C@@H](C)[N@H+](CC(=O)Nc1ccc(C)c(C)c1)CC2 ZINC000005450779 207101347 /nfs/dbraw/zinc/10/13/47/207101347.db2.gz ASWJAALUTIYYKY-MRXNPFEDSA-N 1 2 368.477 3.878 50 0 FHAALO COc1cc2c(cc1OC)[C@@H](C)[N@@H+](CC(=O)Nc1ccc(C)c(C)c1)CC2 ZINC000005450779 207101351 /nfs/dbraw/zinc/10/13/51/207101351.db2.gz ASWJAALUTIYYKY-MRXNPFEDSA-N 1 2 368.477 3.878 50 0 FHAALO CCN(Cc1[nH+]ccn1Cc1cccc(F)c1)C(=O)c1cccc(F)c1 ZINC000006690561 207154774 /nfs/dbraw/zinc/15/47/74/207154774.db2.gz RZZFDEYYZOZEPN-UHFFFAOYSA-N 1 2 355.388 3.872 50 0 FHAALO Clc1ccccc1Cn1ncc2c1nc[nH+]c2NCc1cccnc1 ZINC000006719062 207155266 /nfs/dbraw/zinc/15/52/66/207155266.db2.gz VCNFNDHGPNTQCL-UHFFFAOYSA-N 1 2 350.813 3.535 50 0 FHAALO C[C@H]1CCC[N@@H+]([C@]2(O)c3ccccc3N(Cc3ccccc3Cl)C2=O)C1 ZINC000006721028 207157906 /nfs/dbraw/zinc/15/79/06/207157906.db2.gz OUNDQKWISRTBFZ-BTYIYWSLSA-N 1 2 370.880 3.764 50 0 FHAALO 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Cc1ccc(O)c(C(=O)N2CCC[C@H](c3[nH+]ccn3CC3CCC3)C2)c1 ZINC000095367955 209033570 /nfs/dbraw/zinc/03/35/70/209033570.db2.gz WRFOGNOBPVRWCS-KRWDZBQOSA-N 1 2 353.466 3.717 50 0 FHAALO Cc1cccc2nc(C(=O)N3CCC[C@H](c4[nH+]ccn4C(C)C)C3)c(F)n21 ZINC000095373597 209034610 /nfs/dbraw/zinc/03/46/10/209034610.db2.gz LOZVSMCYYKZTLL-HNNXBMFYSA-N 1 2 369.444 3.579 50 0 FHAALO O=C(Nc1ccccc1)N1CCC[C@@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095374266 209037468 /nfs/dbraw/zinc/03/74/68/209037468.db2.gz RCUPUUQFQBBOJH-OAHLLOKOSA-N 1 2 367.478 3.799 50 0 FHAALO O=C(NCc1cccc(F)c1)N1CCC[C@@H](c2[nH+]ccn2CC2CCC2)C1 ZINC000095382099 209040167 /nfs/dbraw/zinc/04/01/67/209040167.db2.gz PAMJPDZSVRRQJF-GOSISDBHSA-N 1 2 370.472 3.912 50 0 FHAALO Cc1cc(N[C@@H](C)c2cn3ncsc3n2)nc(Nc2cccc(O)c2)[nH+]1 ZINC000095380154 209040352 /nfs/dbraw/zinc/04/03/52/209040352.db2.gz NTOOVXFXYPVXAO-NSHDSACASA-N 1 2 367.438 3.512 50 0 FHAALO Cc1cc(N2CC(OCc3ccccc3)C2)nc(Nc2cccc(O)c2)[nH+]1 ZINC000095383058 209042215 /nfs/dbraw/zinc/04/22/15/209042215.db2.gz MTXLXEZQWCVFHK-UHFFFAOYSA-N 1 2 362.433 3.640 50 0 FHAALO CCn1c2cccc(F)c2nc1C[N@@H+]1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000095402230 209048060 /nfs/dbraw/zinc/04/80/60/209048060.db2.gz IPKQXMWUQGDUIZ-AWEZNQCLSA-N 1 2 369.444 3.835 50 0 FHAALO CCn1c2cccc(F)c2nc1C[N@H+]1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000095402230 209048065 /nfs/dbraw/zinc/04/80/65/209048065.db2.gz IPKQXMWUQGDUIZ-AWEZNQCLSA-N 1 2 369.444 3.835 50 0 FHAALO Cn1cc[nH+]c1[C@@H]1CCCN1C(=O)CCC(=O)c1ccc2c(c1)CCCC2 ZINC000095456713 209052922 /nfs/dbraw/zinc/05/29/22/209052922.db2.gz XAAMXMSWXUTXTD-IBGZPJMESA-N 1 2 365.477 3.626 50 0 FHAALO Cc1cc2[nH+]cn([C@@H]3CC(=O)N(c4cccc(Cl)c4)C3=O)c2cc1C ZINC000095483183 209060467 /nfs/dbraw/zinc/06/04/67/209060467.db2.gz QQXWBHDIWZYCQN-QGZVFWFLSA-N 1 2 353.809 3.811 50 0 FHAALO O=C(Cn1cc[nH+]c1-c1ccccc1)NCCc1nc2ccccc2s1 ZINC000095505017 209064398 /nfs/dbraw/zinc/06/43/98/209064398.db2.gz LTPLOZDJDUYNRO-UHFFFAOYSA-N 1 2 362.458 3.519 50 0 FHAALO CCC[C@H]([NH2+][C@@H](C)Cc1ccc(OC)c(OC)c1)C(=O)OC(C)(C)C ZINC000095943443 209088690 /nfs/dbraw/zinc/08/86/90/209088690.db2.gz CMENPTNVFKAYDT-HOCLYGCPSA-N 1 2 351.487 3.735 50 0 FHAALO O=C1OCC[C@H]1[NH2+]C[C@@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000057293265 221086348 /nfs/dbraw/zinc/08/63/48/221086348.db2.gz IYPVYUWXWJFWSS-DNVCBOLYSA-N 1 2 354.837 3.858 50 0 FHAALO CN(C)c1ccc(CNC(=O)N(C)Cc2ccc(C(F)(F)F)cc2)c[nH+]1 ZINC000058757388 221122618 /nfs/dbraw/zinc/12/26/18/221122618.db2.gz OOTULKOACZHNBL-UHFFFAOYSA-N 1 2 366.387 3.508 50 0 FHAALO CCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2c(C)onc2-c2ccccc2)C1 ZINC000095504306 209065372 /nfs/dbraw/zinc/06/53/72/209065372.db2.gz LEXUODUJHIHTLS-KRWDZBQOSA-N 1 2 364.449 3.886 50 0 FHAALO CCn1cc[nH+]c1[C@@H]1CCCN(C(=O)Cc2ccccc2C(F)(F)F)C1 ZINC000095512530 209069749 /nfs/dbraw/zinc/06/97/49/209069749.db2.gz ICKYAGNUYKCCDP-OAHLLOKOSA-N 1 2 365.399 3.871 50 0 FHAALO Cn1cc[nH+]c1CCNC(=O)C[C@@H](c1ccccc1)c1ccccc1Cl ZINC000095516646 209070773 /nfs/dbraw/zinc/07/07/73/209070773.db2.gz CUDZUCHPGAKVSE-SFHVURJKSA-N 1 2 367.880 3.954 50 0 FHAALO CCCCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc(F)c(OC)c2)C1 ZINC000095518236 209071278 /nfs/dbraw/zinc/07/12/78/209071278.db2.gz CDDFFDHKMXPPRQ-INIZCTEOSA-N 1 2 359.445 3.851 50 0 FHAALO Cn1cc[nH+]c1CCNC(=O)C[C@H](c1ccccc1)c1ccccc1Cl ZINC000095516647 209070320 /nfs/dbraw/zinc/07/03/20/209070320.db2.gz CUDZUCHPGAKVSE-GOSISDBHSA-N 1 2 367.880 3.954 50 0 FHAALO Cc1ccc(CC(=O)N2CCC[C@H](c3[nH+]ccn3Cc3ccncc3)C2)cc1 ZINC000095519694 209072775 /nfs/dbraw/zinc/07/27/75/209072775.db2.gz CCLVWKLZTXYOSE-NRFANRHFSA-N 1 2 374.488 3.584 50 0 FHAALO COc1ccc(C2(C(=O)N3CCC[C@@H](c4[nH+]ccn4C)C3)CCCC2)cc1 ZINC000095518867 209072463 /nfs/dbraw/zinc/07/24/63/209072463.db2.gz LECKIECDOHLAGR-QGZVFWFLSA-N 1 2 367.493 3.647 50 0 FHAALO Cc1cc(C)n(-c2cccc(C[N@H+]3CC(=O)N(c4ccccc4)C[C@H]3C)c2)n1 ZINC000082156638 132197441 /nfs/dbraw/zinc/19/74/41/132197441.db2.gz MWEVOODTZAHIKT-LJQANCHMSA-N 1 2 374.488 3.726 50 0 FHAALO Cc1cc(C)n(-c2cccc(C[N@@H+]3CC(=O)N(c4ccccc4)C[C@H]3C)c2)n1 ZINC000082156638 132197442 /nfs/dbraw/zinc/19/74/42/132197442.db2.gz MWEVOODTZAHIKT-LJQANCHMSA-N 1 2 374.488 3.726 50 0 FHAALO O=C(NCCCSC1CCCCC1)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000096153089 132221003 /nfs/dbraw/zinc/22/10/03/132221003.db2.gz PISXDKWTOZASPE-QGZVFWFLSA-N 1 2 361.555 3.870 50 0 FHAALO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000096281099 132224775 /nfs/dbraw/zinc/22/47/75/132224775.db2.gz SUCAPIORZVHWQT-IBGZPJMESA-N 1 2 351.494 3.761 50 0 FHAALO Cc1nc2sc3c(c2c(N2CCN(c4cccc[nH+]4)CC2)n1)CCCC3 ZINC000002680186 132383967 /nfs/dbraw/zinc/38/39/67/132383967.db2.gz GARZVEHQLXZYQS-UHFFFAOYSA-N 1 2 365.506 3.600 50 0 FHAALO C[C@H](NC(=O)[C@H](C)[NH+]1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000034684635 136117863 /nfs/dbraw/zinc/11/78/63/136117863.db2.gz YOCVCKJYDLFZIO-IRXDYDNUSA-N 1 2 371.912 3.728 50 0 FHAALO CCOC(=O)c1ccc(N2CCC[C@@H](c3[nH]c4ccccc4[nH+]3)C2)nc1 ZINC000043534080 136121385 /nfs/dbraw/zinc/12/13/85/136121385.db2.gz BROPOKPXWPKYSO-OAHLLOKOSA-N 1 2 350.422 3.519 50 0 FHAALO CSc1ccc(-c2noc(C[NH+]3CCN(c4ccccc4)CC3)n2)cc1 ZINC000051319659 136124162 /nfs/dbraw/zinc/12/41/62/136124162.db2.gz FPVAHWFZEVSIPG-UHFFFAOYSA-N 1 2 366.490 3.781 50 0 FHAALO Fc1ccccc1N1CC[NH+](Cc2cc(Br)cs2)CC1 ZINC000055543861 136126973 /nfs/dbraw/zinc/12/69/73/136126973.db2.gz STRZBFRSFDENKK-UHFFFAOYSA-N 1 2 355.276 3.972 50 0 FHAALO Cc1cccc(C)c1NC(=O)C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000055562746 136127208 /nfs/dbraw/zinc/12/72/08/136127208.db2.gz XNXCGDPSOLHCCH-UHFFFAOYSA-N 1 2 357.885 3.718 50 0 FHAALO C[C@H](c1nnc(-c2ccccc2)o1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000057352369 136128662 /nfs/dbraw/zinc/12/86/62/136128662.db2.gz UJWOFOZSIMKBDW-OAHLLOKOSA-N 1 2 352.413 3.759 50 0 FHAALO Cc1cccc(NC(=O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)c1C ZINC000057364049 136128868 /nfs/dbraw/zinc/12/88/68/136128868.db2.gz ZHSFSWBYCFQGNY-UHFFFAOYSA-N 1 2 357.885 3.718 50 0 FHAALO O=c1c2cc(F)ccc2scc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000063671491 136133008 /nfs/dbraw/zinc/13/30/08/136133008.db2.gz COPPVMXRSLPGHF-UHFFFAOYSA-N 1 2 354.450 3.723 50 0 FHAALO c1ccc(N2CCC[C@@H](c3nn4c(nnc4C4CCCC4)s3)C2)[nH+]c1 ZINC000071662840 136139677 /nfs/dbraw/zinc/13/96/77/136139677.db2.gz VHGNPQBKSUWAJP-CQSZACIVSA-N 1 2 354.483 3.622 50 0 FHAALO CCCc1cc(N2CCC[C@@H](Nc3ccc4c(c3)OCCO4)C2)nc(C)[nH+]1 ZINC000072133627 136142499 /nfs/dbraw/zinc/14/24/99/136142499.db2.gz VYXYWTIYMAVEST-GOSISDBHSA-N 1 2 368.481 3.590 50 0 FHAALO c1cc2nc(-c3ccccc3)cc(N3CCC[C@H](Cn4cc[nH+]c4)C3)n2n1 ZINC000072165831 136143521 /nfs/dbraw/zinc/14/35/21/136143521.db2.gz JFLVIDIETFTCBN-QGZVFWFLSA-N 1 2 358.449 3.509 50 0 FHAALO Cc1noc(-c2ccc(N3CCC[C@H](Cc4[nH]c5ccccc5[nH+]4)C3)nc2)n1 ZINC000072473422 136148965 /nfs/dbraw/zinc/14/89/65/136148965.db2.gz WETIPIPJFGNCTG-OAHLLOKOSA-N 1 2 374.448 3.775 50 0 FHAALO O=C(c1ccc2c(c1)CCO2)N1CCC(c2[nH+]ccn2CC2CCC2)CC1 ZINC000095526309 209075570 /nfs/dbraw/zinc/07/55/70/209075570.db2.gz BMKAINZBOSYPHD-UHFFFAOYSA-N 1 2 365.477 3.638 50 0 FHAALO C[C@@H](NC(=O)COc1ccc(Cl)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012506900 263371143 /nfs/dbraw/zinc/37/11/43/263371143.db2.gz BXGSDLJOTQBSHJ-CQSZACIVSA-N 1 2 355.825 3.782 50 0 FHAALO COc1cccc(C[NH+]2CCN(Cc3cccc(Cl)c3)CC2)c1OC ZINC000019781806 263376915 /nfs/dbraw/zinc/37/69/15/263376915.db2.gz LFMDGHXVLRXLSI-UHFFFAOYSA-N 1 2 360.885 3.675 50 0 FHAALO COc1cccc(CN2CC[NH+](Cc3cccc(Cl)c3)CC2)c1OC ZINC000019781806 263376917 /nfs/dbraw/zinc/37/69/17/263376917.db2.gz LFMDGHXVLRXLSI-UHFFFAOYSA-N 1 2 360.885 3.675 50 0 FHAALO O=C(C(c1ccccc1)c1ccccc1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000019787889 263377503 /nfs/dbraw/zinc/37/75/03/263377503.db2.gz OOSTYSLVBIYRQX-UHFFFAOYSA-N 1 2 371.484 3.558 50 0 FHAALO CC(C)Cc1[nH+]c2ccccc2n1[C@H](C)C(=O)NCc1ncc(Cl)cn1 ZINC000426491340 263606892 /nfs/dbraw/zinc/60/68/92/263606892.db2.gz BYAKSBAQFKDXHK-CYBMUJFWSA-N 1 2 371.872 3.556 50 0 FHAALO CCc1[nH+]c2ccccc2n1CCC(=O)N1CC[C@@H](Oc2ccccc2)C1 ZINC000426555361 263634186 /nfs/dbraw/zinc/63/41/86/263634186.db2.gz CGOCNTGOENAYCL-GOSISDBHSA-N 1 2 363.461 3.669 50 0 FHAALO CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019812698 519374699 /nfs/dbraw/zinc/37/46/99/519374699.db2.gz BOACPLCCPSWOAZ-UHFFFAOYSA-N 1 2 372.896 3.842 50 0 FHAALO CC(C)Cn1c[nH+]cc1CNC(=O)c1csc(Cc2ccccc2)n1 ZINC000082136797 519529062 /nfs/dbraw/zinc/52/90/62/519529062.db2.gz VXONVIFHTZCEMN-UHFFFAOYSA-N 1 2 354.479 3.516 50 0 FHAALO CCOc1cccc(C(=O)N2CCC[C@H](c3[nH+]ccn3CC3CC3)C2)c1 ZINC000082083268 521318527 /nfs/dbraw/zinc/31/85/27/521318527.db2.gz YPLHRSBJLZLPEC-SFHVURJKSA-N 1 2 353.466 3.712 50 0 FHAALO CCn1cc[nH+]c1C1CCN(C(=O)Cc2c(C)[nH]c3c2cccc3F)CC1 ZINC000091552053 523521734 /nfs/dbraw/zinc/52/17/34/523521734.db2.gz WOMOKBQKPVCFAG-UHFFFAOYSA-N 1 2 368.456 3.781 50 0 FHAALO COc1ccc(C(=O)N2CCC[C@@H](c3[nH+]ccn3CC3CC3)C2)cc1Cl ZINC000082091908 523635105 /nfs/dbraw/zinc/63/51/05/523635105.db2.gz CHVZPDLBZMGCBK-MRXNPFEDSA-N 1 2 373.884 3.975 50 0 FHAALO Cc1cc(C)c(C(=O)N2CCC[C@H](c3[nH+]ccn3Cc3ccccc3)C2)cn1 ZINC000082096747 524225333 /nfs/dbraw/zinc/22/53/33/524225333.db2.gz LVYCQYVJCNIXIO-FQEVSTJZSA-N 1 2 374.488 3.963 50 0 FHAALO Cc1cccc(CC(=O)N2CCC[C@@H](c3[nH+]ccn3Cc3ccccn3)C2)c1 ZINC000091486319 524337786 /nfs/dbraw/zinc/33/77/86/524337786.db2.gz UZLYNVREAPTHMC-HXUWFJFHSA-N 1 2 374.488 3.584 50 0 FHAALO COc1ccccc1NC(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000020275006 524610777 /nfs/dbraw/zinc/61/07/77/524610777.db2.gz YAHDKVZPCPISJU-UHFFFAOYSA-N 1 2 359.857 3.698 50 0 FHAALO O=C(NCCc1cn2ccccc2[nH+]1)C1(c2ccc(F)cc2)CCCC1 ZINC000084606724 526451706 /nfs/dbraw/zinc/45/17/06/526451706.db2.gz NHRGDWFTSAERPP-UHFFFAOYSA-N 1 2 351.425 3.644 50 0 FHAALO O=C(c1ccc2c(c1)CCCO2)N1CCC[C@H](c2[nH+]ccn2CC2CC2)C1 ZINC000082097181 526724076 /nfs/dbraw/zinc/72/40/76/526724076.db2.gz QZVXINIGASZCFX-IBGZPJMESA-N 1 2 365.477 3.638 50 0 FHAALO Cc1[nH]c2ccc(NC(=O)CC3CCN(C(=O)OC(C)(C)C)CC3)cc2[nH+]1 ZINC000089497072 527125169 /nfs/dbraw/zinc/12/51/69/527125169.db2.gz KULLIHZELLJNAL-UHFFFAOYSA-N 1 2 372.469 3.847 50 0 FHAALO O=C(Nc1ccccc1)N1CCC(c2[nH+]ccn2Cc2cscn2)CC1 ZINC000091616370 527392821 /nfs/dbraw/zinc/39/28/21/527392821.db2.gz ZSDTYBXFONRIQY-UHFFFAOYSA-N 1 2 367.478 3.799 50 0 FHAALO O=C(Cn1cc[nH+]c1-c1ccccc1)N1CCCC[C@H]1CCc1ccccn1 ZINC000091494067 527394346 /nfs/dbraw/zinc/39/43/46/527394346.db2.gz KXPUZRUSEHEINR-NRFANRHFSA-N 1 2 374.488 3.959 50 0 FHAALO CCc1ccc2nc(C)cc(C(=O)N3CCC[C@H](c4[nH+]ccn4C)C3)c2c1 ZINC000215094717 568051401 /nfs/dbraw/zinc/05/14/01/568051401.db2.gz GZKZYACRFIEYDT-KRWDZBQOSA-N 1 2 362.477 3.859 50 0 FHAALO COc1ccccc1-c1ncc(C[NH+]2CC(n3nc(C)cc3C)C2)s1 ZINC000215726885 568085773 /nfs/dbraw/zinc/08/57/73/568085773.db2.gz OQMRNXJXGWUNGM-UHFFFAOYSA-N 1 2 354.479 3.689 50 0 FHAALO CC[C@H]1c2ccsc2CCN1C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000051755665 568233153 /nfs/dbraw/zinc/23/31/53/568233153.db2.gz NVXZKAZAVGETAP-INIZCTEOSA-N 1 2 359.495 3.988 50 0 FHAALO CC(=O)c1ccccc1OC[C@@H](O)Cn1c2ccccc2[nH+]c1C(C)C ZINC000000810217 568270413 /nfs/dbraw/zinc/27/04/13/568270413.db2.gz AKRJSLBYMTUSRP-INIZCTEOSA-N 1 2 352.434 3.802 50 0 FHAALO CN(CCCc1[nH+]ccn1C)C(=O)c1cccc(-c2ccccc2F)c1 ZINC000220367341 568338204 /nfs/dbraw/zinc/33/82/04/568338204.db2.gz BTSFVAOZLRWCBD-UHFFFAOYSA-N 1 2 351.425 3.931 50 0 FHAALO CCc1sc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)cc1C ZINC000032930475 568426750 /nfs/dbraw/zinc/42/67/50/568426750.db2.gz MXLNZVZWKGPASU-GJZGRUSLSA-N 1 2 373.522 3.558 50 0 FHAALO COc1ccc2c(c1)OC[C@H](Cc1nccc(-c3ccc(C)[nH+]c3C)n1)C2 ZINC000091808945 570439620 /nfs/dbraw/zinc/43/96/20/570439620.db2.gz GAXSUBBBZAXQNB-INIZCTEOSA-N 1 2 361.445 3.958 50 0 FHAALO Cc1cc(C)cc(C(=O)N2CCC[C@H](c3[nH+]ccn3Cc3ccncc3)C2)c1 ZINC000091829535 570439804 /nfs/dbraw/zinc/43/98/04/570439804.db2.gz MOSMFBQDQPXWDD-FQEVSTJZSA-N 1 2 374.488 3.963 50 0 FHAALO C[C@@H](CCNC(=O)N(Cc1ccncc1)C1CCCCC1)n1cc[nH+]c1 ZINC000584903012 570510045 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C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3cc(F)cc(F)c3)n2)C1 ZINC000012793497 570762327 /nfs/dbraw/zinc/76/23/27/570762327.db2.gz DCTKXEPCGMDNBP-NSHDSACASA-N 1 2 351.422 3.906 50 0 FHAALO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cc(F)cc(F)c3)n2)C1 ZINC000012793497 570762330 /nfs/dbraw/zinc/76/23/30/570762330.db2.gz DCTKXEPCGMDNBP-NSHDSACASA-N 1 2 351.422 3.906 50 0 FHAALO C[C@H]([NH2+]Cc1nc(=O)c2c3c(sc2[nH]1)CCC3)c1ccccc1Cl ZINC000013097213 570773547 /nfs/dbraw/zinc/77/35/47/570773547.db2.gz JYJMTODHBMHEMH-JTQLQIEISA-N 1 2 359.882 3.978 50 0 FHAALO C[C@@H](C(=O)Nc1cccc2ccccc21)[NH+]1CCN(c2ccccc2)CC1 ZINC000013141600 570774742 /nfs/dbraw/zinc/77/47/42/570774742.db2.gz MYDUIYXCNQSDOP-SFHVURJKSA-N 1 2 359.473 3.989 50 0 FHAALO Cc1nc(-c2ccccc2Cl)sc1C(=O)NCCCn1cc[nH+]c1 ZINC000013689891 570784967 /nfs/dbraw/zinc/78/49/67/570784967.db2.gz JLLCIQLDDLRCCZ-UHFFFAOYSA-N 1 2 360.870 3.789 50 0 FHAALO Cc1ccc(Cl)c(OC(C)(C)C(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000013744730 570788501 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CCOc1ccc(C[N@@H+](C)Cn2nc(-c3ccco3)n(C)c2=S)cc1 ZINC000014158573 570808815 /nfs/dbraw/zinc/80/88/15/570808815.db2.gz LCVUQQPKSCRLIK-UHFFFAOYSA-N 1 2 358.467 3.699 50 0 FHAALO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)COc3ccc(F)cc3)n2)C1 ZINC000014141717 570808984 /nfs/dbraw/zinc/80/89/84/570808984.db2.gz GIKYECXSTZHOCC-CYBMUJFWSA-N 1 2 363.458 3.532 50 0 FHAALO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)COc3ccc(F)cc3)n2)C1 ZINC000014141717 570808986 /nfs/dbraw/zinc/80/89/86/570808986.db2.gz GIKYECXSTZHOCC-CYBMUJFWSA-N 1 2 363.458 3.532 50 0 FHAALO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc2c(c1)CCCC2)c1cccc(F)c1 ZINC000018236511 570815620 /nfs/dbraw/zinc/81/56/20/570815620.db2.gz LSIPXSBMMYSELI-HXUWFJFHSA-N 1 2 363.436 3.957 50 0 FHAALO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1cc(F)c(F)cc1Cl ZINC000032859992 570823856 /nfs/dbraw/zinc/82/38/56/570823856.db2.gz OZJFTEJYPANMQO-UHFFFAOYSA-N 1 2 361.779 3.793 50 0 FHAALO COC(=O)C[N@H+](C)Cc1cn(-c2ccc(C)cc2)nc1-c1cccc(C)c1 ZINC000014959402 570826760 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COc1ccc(C[NH+]2CCN(Cc3cccc(Cl)c3)CC2)c(OC)c1 ZINC000019363477 570887549 /nfs/dbraw/zinc/88/75/49/570887549.db2.gz RIDAEHXAEQTMLY-UHFFFAOYSA-N 1 2 360.885 3.675 50 0 FHAALO COc1ccc(CN2CC[NH+](Cc3cccc(Cl)c3)CC2)c(OC)c1 ZINC000019363477 570887551 /nfs/dbraw/zinc/88/75/51/570887551.db2.gz RIDAEHXAEQTMLY-UHFFFAOYSA-N 1 2 360.885 3.675 50 0 FHAALO Clc1ccc(-c2csc3ncnc(NCC[NH+]4CCOCC4)c23)cc1 ZINC000019691603 570899102 /nfs/dbraw/zinc/89/91/02/570899102.db2.gz OMDJAPVEUWHHQK-UHFFFAOYSA-N 1 2 374.897 3.756 50 0 FHAALO COc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)c(OC)c1 ZINC000019832119 570904187 /nfs/dbraw/zinc/90/41/87/570904187.db2.gz ZXKQFXAKUQVABB-UHFFFAOYSA-N 1 2 360.885 3.675 50 0 FHAALO COc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)c(OC)c1 ZINC000019832119 570904190 /nfs/dbraw/zinc/90/41/90/570904190.db2.gz ZXKQFXAKUQVABB-UHFFFAOYSA-N 1 2 360.885 3.675 50 0 FHAALO CN1CC[NH+](Cc2ccc(C(=O)c3cccc(Cl)c3Cl)cc2)CC1 ZINC000022027945 570937678 /nfs/dbraw/zinc/93/76/78/570937678.db2.gz QUAXCIFUIDLRGO-UHFFFAOYSA-N 1 2 363.288 3.972 50 0 FHAALO C[C@@H](CNC(=O)Nc1cccc(Cn2cc[nH+]c2)c1)N(C)c1ccccc1 ZINC000048354512 570949661 /nfs/dbraw/zinc/94/96/61/570949661.db2.gz VUYJZTOKBTYQPA-KRWDZBQOSA-N 1 2 363.465 3.578 50 0 FHAALO Cc1cccc(C[NH+]2CCN(C(=O)c3cc(-c4ccccc4)on3)CC2)c1 ZINC000023237082 570960658 /nfs/dbraw/zinc/96/06/58/570960658.db2.gz GHYYMXWDMUAJKW-UHFFFAOYSA-N 1 2 361.445 3.608 50 0 FHAALO O=C(c1cccc2ccccc21)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000023379272 570962822 /nfs/dbraw/zinc/96/28/22/570962822.db2.gz ZKXDMXKDNOMFAW-UHFFFAOYSA-N 1 2 374.440 3.527 50 0 FHAALO CCc1cc(C(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)sc1C ZINC000024302009 570973929 /nfs/dbraw/zinc/97/39/29/570973929.db2.gz GEIYVDNICJOVRI-UHFFFAOYSA-N 1 2 370.518 3.512 50 0 FHAALO O=C(Cc1ccc(C(F)(F)F)cc1)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000024750336 570981083 /nfs/dbraw/zinc/98/10/83/570981083.db2.gz APYXRAIDKRYYNG-UHFFFAOYSA-N 1 2 373.378 3.809 50 0 FHAALO CC1CC[NH+]([C@@H](CNC(=O)c2n[nH]c3ccccc32)c2cccs2)CC1 ZINC000025139567 570991354 /nfs/dbraw/zinc/99/13/54/570991354.db2.gz JZWTXJIDBXMJMB-KRWDZBQOSA-N 1 2 368.506 3.827 50 0 FHAALO Cc1ccc(NC(=S)N[C@@H](C)[C@H](c2ccccc2)[NH+]2CCOCC2)cc1 ZINC000025329500 570993858 /nfs/dbraw/zinc/99/38/58/570993858.db2.gz JTMQPHASPXIUHE-FXAWDEMLSA-N 1 2 369.534 3.743 50 0 FHAALO CC(C)c1cc(C(=O)NCCc2cn3ccccc3[nH+]2)c2ccccc2n1 ZINC000025529008 570996972 /nfs/dbraw/zinc/99/69/72/570996972.db2.gz LKAOYEBMMDKNAO-UHFFFAOYSA-N 1 2 358.445 3.978 50 0 FHAALO COc1cc2c(cc1OC)C[N@H+](CN1c3cccc4cccc(c34)C1=O)CC2 ZINC000027491070 571012924 /nfs/dbraw/zinc/01/29/24/571012924.db2.gz BIUJGDKAIQFSAD-UHFFFAOYSA-N 1 2 374.440 3.833 50 0 FHAALO COc1cc2c(cc1OC)C[N@@H+](CN1c3cccc4cccc(c34)C1=O)CC2 ZINC000027491070 571012929 /nfs/dbraw/zinc/01/29/29/571012929.db2.gz BIUJGDKAIQFSAD-UHFFFAOYSA-N 1 2 374.440 3.833 50 0 FHAALO Cn1cc[nH+]c1[C@@H](NC(=O)NCCc1cccs1)c1ccc(Cl)cc1 ZINC000029324628 571038266 /nfs/dbraw/zinc/03/82/66/571038266.db2.gz YIVMXSJASMZNBD-INIZCTEOSA-N 1 2 374.897 3.766 50 0 FHAALO CNC(=S)N1[NH+]=C(c2cccc(N(C)C)c2)C[C@@H]1c1cccc(C)c1 ZINC000225506511 571041033 /nfs/dbraw/zinc/04/10/33/571041033.db2.gz KDCCVJKMPPEVTJ-LJQANCHMSA-N 1 2 352.507 3.716 50 0 FHAALO Cc1ccc(NC(=O)C[NH+]2CCC(OCc3ccccc3)CC2)c(F)c1 ZINC000012684639 571044091 /nfs/dbraw/zinc/04/40/91/571044091.db2.gz XTUXNDCEIWMPKJ-UHFFFAOYSA-N 1 2 356.441 3.754 50 0 FHAALO O=C(OCCn1cc[nH+]c1)c1ccc(Br)cc1C(F)(F)F ZINC000225550591 571044841 /nfs/dbraw/zinc/04/48/41/571044841.db2.gz OMDOMANTBQVXMT-UHFFFAOYSA-N 1 2 363.133 3.521 50 0 FHAALO C[N@@H+]1CCN(C(=O)CSc2ccccc2Cl)[C@H](c2ccccc2)C1 ZINC000030029467 571045560 /nfs/dbraw/zinc/04/55/60/571045560.db2.gz FONUBQGEQULFDN-KRWDZBQOSA-N 1 2 360.910 3.947 50 0 FHAALO C[N@H+]1CCN(C(=O)CSc2ccccc2Cl)[C@H](c2ccccc2)C1 ZINC000030029467 571045564 /nfs/dbraw/zinc/04/55/64/571045564.db2.gz FONUBQGEQULFDN-KRWDZBQOSA-N 1 2 360.910 3.947 50 0 FHAALO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1csc(-c2ccco2)n1 ZINC000030216760 571046473 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ZINC000095496986 132211814 /nfs/dbraw/zinc/21/18/14/132211814.db2.gz WBBGJNXPRFQKFN-OAHLLOKOSA-N 1 2 360.421 3.700 50 0 FHAALO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000096281098 132224808 /nfs/dbraw/zinc/22/48/08/132224808.db2.gz SUCAPIORZVHWQT-LJQANCHMSA-N 1 2 351.494 3.761 50 0 FHAALO Cc1nn(C)c(C)c1[C@@H](C)C(=O)Nc1c[nH+]c(N2CCCC[C@@H]2C)c(C)c1 ZINC000108175878 132243044 /nfs/dbraw/zinc/24/30/44/132243044.db2.gz YFJRYRBXUGFIFN-LSDHHAIUSA-N 1 2 369.513 3.861 50 0 FHAALO CCn1cc[nH+]c1[C@H]1CCCCN1c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000225479112 132284982 /nfs/dbraw/zinc/28/49/82/132284982.db2.gz AZWCLDIEXAOEHT-OAHLLOKOSA-N 1 2 369.437 3.631 50 0 FHAALO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1ccc(-c2ccccc2F)o1 ZINC000046618771 136122541 /nfs/dbraw/zinc/12/25/41/136122541.db2.gz MSZONPNTZZLONZ-UHFFFAOYSA-N 1 2 365.408 3.880 50 0 FHAALO Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCN(c3ccccc3)CC2)c(C)c1 ZINC000057024229 136128101 /nfs/dbraw/zinc/12/81/01/136128101.db2.gz UTEPNNRQBPFYBK-IBGZPJMESA-N 1 2 351.494 3.761 50 0 FHAALO C[C@H](C(=O)Nc1ccccc1F)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000057292135 136128384 /nfs/dbraw/zinc/12/83/84/136128384.db2.gz BAVURJAIMYWTSI-CQSZACIVSA-N 1 2 361.848 3.628 50 0 FHAALO Clc1ccccc1-c1noc(C[NH+]2CCN(c3ccccc3)CC2)n1 ZINC000057381137 136129015 /nfs/dbraw/zinc/12/90/15/136129015.db2.gz XKFSZTGSJNYDDU-UHFFFAOYSA-N 1 2 354.841 3.712 50 0 FHAALO Fc1ccc(-c2cnc(C[NH+]3CCN(c4ccc(F)cc4)CC3)o2)cc1 ZINC000057438910 136129450 /nfs/dbraw/zinc/12/94/50/136129450.db2.gz VSIKYEASSULSTB-UHFFFAOYSA-N 1 2 355.388 3.942 50 0 FHAALO Cc1cccc(NC(=O)[C@H](C)[NH+]2CCN(c3ccccc3Cl)CC2)c1 ZINC000058160607 136130553 /nfs/dbraw/zinc/13/05/53/136130553.db2.gz HOCFWUXLLNKKOF-INIZCTEOSA-N 1 2 357.885 3.798 50 0 FHAALO CC1CCN(c2ccc(CNC(=O)C3(c4ccc(F)cc4)CC3)c[nH+]2)CC1 ZINC000061900250 136132561 /nfs/dbraw/zinc/13/25/61/136132561.db2.gz MITVJDIGQWMLMU-UHFFFAOYSA-N 1 2 367.468 3.805 50 0 FHAALO Cc1[nH+]cnc(N2CCC[C@]3(CCC(=O)N(Cc4ccccc4)C3)C2)c1C ZINC000072430835 136146967 /nfs/dbraw/zinc/14/69/67/136146967.db2.gz BUJYJXOISOLWEW-QFIPXVFZSA-N 1 2 364.493 3.503 50 0 FHAALO O=C(CSc1[nH+]cc2ccccn21)c1ccc2c(c1)CCCC(=O)N2 ZINC000032327210 263393566 /nfs/dbraw/zinc/39/35/66/263393566.db2.gz LIZRYSZBNSJXIO-UHFFFAOYSA-N 1 2 351.431 3.584 50 0 FHAALO CC(=O)NCc1cc2n(n1)CC[N@H+](Cc1ccc(-c3ccccc3C)cc1)C2 ZINC000082166304 519674863 /nfs/dbraw/zinc/67/48/63/519674863.db2.gz AVOBIPRDVSISKP-UHFFFAOYSA-N 1 2 374.488 3.510 50 0 FHAALO CC(=O)NCc1cc2n(n1)CC[N@@H+](Cc1ccc(-c3ccccc3C)cc1)C2 ZINC000082166304 519674866 /nfs/dbraw/zinc/67/48/66/519674866.db2.gz AVOBIPRDVSISKP-UHFFFAOYSA-N 1 2 374.488 3.510 50 0 FHAALO CC[N@H+](CC(=O)NC1CCCCC1)Cc1ccc(Br)s1 ZINC000020814771 520329381 /nfs/dbraw/zinc/32/93/81/520329381.db2.gz VZWAAYQVLFXDBN-UHFFFAOYSA-N 1 2 359.333 3.781 50 0 FHAALO CC[N@@H+](CC(=O)NC1CCCCC1)Cc1ccc(Br)s1 ZINC000020814771 520329390 /nfs/dbraw/zinc/32/93/90/520329390.db2.gz VZWAAYQVLFXDBN-UHFFFAOYSA-N 1 2 359.333 3.781 50 0 FHAALO CCCCn1c2ccccc2n(C[C@H](O)c2ccc(OCC)cc2)c1=[NH2+] ZINC000019854820 521375571 /nfs/dbraw/zinc/37/55/71/521375571.db2.gz KWKHHNGAXLWMJS-FQEVSTJZSA-N 1 2 353.466 3.855 50 0 FHAALO CCOc1ccccc1NC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000020190240 521539105 /nfs/dbraw/zinc/53/91/05/521539105.db2.gz QKEQFFAVYKYJLV-UHFFFAOYSA-N 1 2 357.429 3.574 50 0 FHAALO C[N@H+](CCc1nc2ccc(Cl)cc2[nH]1)Cc1nc(-c2ccccc2)no1 ZINC000020234494 522983933 /nfs/dbraw/zinc/98/39/33/522983933.db2.gz AFHAQMFYOBROJZ-UHFFFAOYSA-N 1 2 367.840 3.941 50 0 FHAALO C[N@@H+](CCc1nc2ccc(Cl)cc2[nH]1)Cc1nc(-c2ccccc2)no1 ZINC000020234494 522983942 /nfs/dbraw/zinc/98/39/42/522983942.db2.gz AFHAQMFYOBROJZ-UHFFFAOYSA-N 1 2 367.840 3.941 50 0 FHAALO CCn1ncc(C[N@@H+]2CCO[C@@H](Cc3cccc(C(F)(F)F)c3)C2)c1C ZINC000020207591 523690764 /nfs/dbraw/zinc/69/07/64/523690764.db2.gz HEHVLQQJMGNPAI-SFHVURJKSA-N 1 2 367.415 3.674 50 0 FHAALO CCn1ncc(C[N@H+]2CCO[C@@H](Cc3cccc(C(F)(F)F)c3)C2)c1C ZINC000020207591 523690772 /nfs/dbraw/zinc/69/07/72/523690772.db2.gz HEHVLQQJMGNPAI-SFHVURJKSA-N 1 2 367.415 3.674 50 0 FHAALO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1coc(-c2ccc(F)cc2)n1 ZINC000241231106 523805268 /nfs/dbraw/zinc/80/52/68/523805268.db2.gz KSCCUNJJTXFQJL-OLMNPRSZSA-N 1 2 358.413 3.787 50 0 FHAALO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1coc(-c2ccc(F)cc2)n1 ZINC000241231106 523805274 /nfs/dbraw/zinc/80/52/74/523805274.db2.gz KSCCUNJJTXFQJL-OLMNPRSZSA-N 1 2 358.413 3.787 50 0 FHAALO COc1cccc([C@@H]2CC[N@@H+]2Cc2ccc(Sc3nncn3C)o2)c1 ZINC000216518633 524119505 /nfs/dbraw/zinc/11/95/05/524119505.db2.gz QWOSLZSUVQMSML-INIZCTEOSA-N 1 2 356.451 3.515 50 0 FHAALO COc1cccc([C@@H]2CC[N@H+]2Cc2ccc(Sc3nncn3C)o2)c1 ZINC000216518633 524119511 /nfs/dbraw/zinc/11/95/11/524119511.db2.gz QWOSLZSUVQMSML-INIZCTEOSA-N 1 2 356.451 3.515 50 0 FHAALO Cc1ccc([C@H](CC(=O)N2CCN(c3cccc[nH+]3)CC2)n2cccc2)cc1 ZINC000020997916 525952786 /nfs/dbraw/zinc/95/27/86/525952786.db2.gz SDADZHXYBFRDCO-NRFANRHFSA-N 1 2 374.488 3.520 50 0 FHAALO C[C@@H](c1cccc(O)c1)[N@H+](C)CC(=O)Nc1nc2ccc(F)cc2s1 ZINC000084656219 526076116 /nfs/dbraw/zinc/07/61/16/526076116.db2.gz QQOUNYZGGDGJLZ-NSHDSACASA-N 1 2 359.426 3.773 50 0 FHAALO C[C@@H](c1cccc(O)c1)[N@@H+](C)CC(=O)Nc1nc2ccc(F)cc2s1 ZINC000084656219 526076121 /nfs/dbraw/zinc/07/61/21/526076121.db2.gz QQOUNYZGGDGJLZ-NSHDSACASA-N 1 2 359.426 3.773 50 0 FHAALO O=C([C@@H]1CC12CCCC2)N1CCC(c2[nH+]ccn2Cc2cccnc2)CC1 ZINC000091270398 526459994 /nfs/dbraw/zinc/45/99/94/526459994.db2.gz UTGIYLUICRCIKN-IBGZPJMESA-N 1 2 364.493 3.613 50 0 FHAALO O=C(c1ccc([C@H]2CCCO2)s1)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000091664648 526713332 /nfs/dbraw/zinc/71/33/32/526713332.db2.gz HRMPRPMYVZCMOI-OAHLLOKOSA-N 1 2 357.479 3.711 50 0 FHAALO O=C(COc1ccc(Cl)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000019850900 526951209 /nfs/dbraw/zinc/95/12/09/526951209.db2.gz CYWUXGITLJRRDK-QPJJXVBHSA-N 1 2 370.880 3.576 50 0 FHAALO O=C(Cc1ccsc1)N1CCC(c2[nH+]ccn2Cc2ccccc2)CC1 ZINC000082146200 527316086 /nfs/dbraw/zinc/31/60/86/527316086.db2.gz PMXNLDZSZXDNEE-UHFFFAOYSA-N 1 2 365.502 3.942 50 0 FHAALO C[C@H](c1ccncn1)[N@H+](C)Cc1cnc(SCc2ccccc2)nc1 ZINC000215757542 568087405 /nfs/dbraw/zinc/08/74/05/568087405.db2.gz QCTZYSILTDJPQP-OAHLLOKOSA-N 1 2 351.479 3.752 50 0 FHAALO C[C@H](c1ccncn1)[N@@H+](C)Cc1cnc(SCc2ccccc2)nc1 ZINC000215757542 568087406 /nfs/dbraw/zinc/08/74/06/568087406.db2.gz QCTZYSILTDJPQP-OAHLLOKOSA-N 1 2 351.479 3.752 50 0 FHAALO O=C(CCc1c[nH]c2ccccc12)N1CC[NH+](Cc2ccsc2)CC1 ZINC000058140212 568306578 /nfs/dbraw/zinc/30/65/78/568306578.db2.gz IRXKWYHGUMUFPV-UHFFFAOYSA-N 1 2 353.491 3.506 50 0 FHAALO CCc1ccc(C[N@@H+]2CCCn3nc([C@@H](O)c4ccccc4)cc3C2)o1 ZINC000221438111 568406440 /nfs/dbraw/zinc/40/64/40/568406440.db2.gz STOBHQXYSCUNHI-NRFANRHFSA-N 1 2 351.450 3.526 50 0 FHAALO CCc1ccc(C[N@H+]2CCCn3nc([C@@H](O)c4ccccc4)cc3C2)o1 ZINC000221438111 568406441 /nfs/dbraw/zinc/40/64/41/568406441.db2.gz STOBHQXYSCUNHI-NRFANRHFSA-N 1 2 351.450 3.526 50 0 FHAALO CN(C)c1ccccc1C(=O)N1CCC(c2[nH+]ccn2CC2CCC2)CC1 ZINC000091808235 570439327 /nfs/dbraw/zinc/43/93/27/570439327.db2.gz VUWSXQLWQRFYQI-UHFFFAOYSA-N 1 2 366.509 3.769 50 0 FHAALO COc1ccc2c(c1)OC[C@@H](Cc1nccc(-c3ccc(C)[nH+]c3C)n1)C2 ZINC000091808947 570439392 /nfs/dbraw/zinc/43/93/92/570439392.db2.gz GAXSUBBBZAXQNB-MRXNPFEDSA-N 1 2 361.445 3.958 50 0 FHAALO Cc1cc(C(=O)N2CCC(c3[nH+]ccn3Cc3cccnc3)CC2)c(C)o1 ZINC000092098797 570447445 /nfs/dbraw/zinc/44/74/45/570447445.db2.gz MHYFNXOQWNESCK-UHFFFAOYSA-N 1 2 364.449 3.556 50 0 FHAALO CCCOc1ccccc1OCC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000023889425 570545281 /nfs/dbraw/zinc/54/52/81/570545281.db2.gz LZUSTKVJEHHFFO-UHFFFAOYSA-N 1 2 351.406 3.679 50 0 FHAALO CCC1CCC(NC(=O)NCCc2[nH+]ccn2Cc2ccccc2)CC1 ZINC000079955139 570634984 /nfs/dbraw/zinc/63/49/84/570634984.db2.gz IGNGETNKYACLRZ-UHFFFAOYSA-N 1 2 354.498 3.742 50 0 FHAALO O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CCC[C@H]1c1ccccc1Cl ZINC000080408592 570635378 /nfs/dbraw/zinc/63/53/78/570635378.db2.gz BSHUBOHONAOJDG-KRWDZBQOSA-N 1 2 352.825 3.898 50 0 FHAALO Cc1ccc(C)c(-c2csc3ncn(CCc4[nH]cc[nH+]4)c(=O)c23)c1 ZINC000584885200 570643151 /nfs/dbraw/zinc/64/31/51/570643151.db2.gz WZCRWCGPYSTDCL-UHFFFAOYSA-N 1 2 350.447 3.708 50 0 FHAALO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)c2nc3ccccc3s2)CC1 ZINC000022662123 570651041 /nfs/dbraw/zinc/65/10/41/570651041.db2.gz DZSJGTRWHHXCDZ-HNNXBMFYSA-N 1 2 351.475 3.815 50 0 FHAALO C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000008327427 570680401 /nfs/dbraw/zinc/68/04/01/570680401.db2.gz LXWPHNFKGPMJQM-CQSZACIVSA-N 1 2 361.898 3.564 50 0 FHAALO Cc1c2cccc(F)c2oc1C(=O)N1CCC[N@H+](Cc2ccccn2)CC1 ZINC000011937532 570712477 /nfs/dbraw/zinc/71/24/77/570712477.db2.gz OTHDVDMPRIZMOR-UHFFFAOYSA-N 1 2 367.424 3.623 50 0 FHAALO Cc1c2cccc(F)c2oc1C(=O)N1CCC[N@@H+](Cc2ccccn2)CC1 ZINC000011937532 570712479 /nfs/dbraw/zinc/71/24/79/570712479.db2.gz OTHDVDMPRIZMOR-UHFFFAOYSA-N 1 2 367.424 3.623 50 0 FHAALO Cn1cc[nH+]c1[C@H](NC(=O)Cc1cccc(F)c1)c1ccc(Cl)cc1 ZINC000012627470 570754351 /nfs/dbraw/zinc/75/43/51/570754351.db2.gz ZYONRCLJFARKFA-GOSISDBHSA-N 1 2 357.816 3.661 50 0 FHAALO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)C1(c2ccccc2)CCCC1 ZINC000012857246 570765566 /nfs/dbraw/zinc/76/55/66/570765566.db2.gz QOHIMFFMQKPBOO-UHFFFAOYSA-N 1 2 364.489 3.969 50 0 FHAALO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCS[C@H](c2ccco2)CC1 ZINC000219367390 570766004 /nfs/dbraw/zinc/76/60/04/570766004.db2.gz YGDGOICDOATTDH-IBGZPJMESA-N 1 2 367.474 3.845 50 0 FHAALO CCOc1ccc(C[N@H+](C)Cc2nc3cc(Cl)ccc3c(=O)[nH]2)cc1 ZINC000013038282 570772552 /nfs/dbraw/zinc/77/25/52/570772552.db2.gz PRNIOXGIUOHGMF-UHFFFAOYSA-N 1 2 357.841 3.607 50 0 FHAALO CCOc1ccc(C[N@@H+](C)Cc2nc3cc(Cl)ccc3c(=O)[nH]2)cc1 ZINC000013038282 570772555 /nfs/dbraw/zinc/77/25/55/570772555.db2.gz PRNIOXGIUOHGMF-UHFFFAOYSA-N 1 2 357.841 3.607 50 0 FHAALO CC(C)[C@@H](O)C1CC[NH+](Cc2nc(Cc3ccccc3Cl)no2)CC1 ZINC000013636927 570781756 /nfs/dbraw/zinc/78/17/56/570781756.db2.gz YOTATZLQAPYCGK-LJQANCHMSA-N 1 2 363.889 3.543 50 0 FHAALO Cc1sc2ncnc(Sc3nnc(C[NH+]4CCCCC4)o3)c2c1C ZINC000014093450 570805079 /nfs/dbraw/zinc/80/50/79/570805079.db2.gz BJZWRIRAXXBAGT-UHFFFAOYSA-N 1 2 361.496 3.828 50 0 FHAALO Cc1ccc([C@@H]([NH2+]Cc2nnnn2-c2ccccc2)c2ccccc2)cc1 ZINC000014095374 570805548 /nfs/dbraw/zinc/80/55/48/570805548.db2.gz GKHJLTFIQHECBK-QFIPXVFZSA-N 1 2 355.445 3.850 50 0 FHAALO CC(=O)Nc1cccc(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)c1 ZINC000014140162 570808573 /nfs/dbraw/zinc/80/85/73/570808573.db2.gz RFOUFIPYOJDOHH-ZDUSSCGKSA-N 1 2 372.494 3.586 50 0 FHAALO CC(=O)Nc1cccc(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)c1 ZINC000014140162 570808575 /nfs/dbraw/zinc/80/85/75/570808575.db2.gz RFOUFIPYOJDOHH-ZDUSSCGKSA-N 1 2 372.494 3.586 50 0 FHAALO CC(=O)Nc1ccc(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)cc1 ZINC000014141400 570808992 /nfs/dbraw/zinc/80/89/92/570808992.db2.gz VEVIVAGENRPIKG-ZDUSSCGKSA-N 1 2 372.494 3.586 50 0 FHAALO CC(=O)Nc1ccc(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)cc1 ZINC000014141400 570808993 /nfs/dbraw/zinc/80/89/93/570808993.db2.gz VEVIVAGENRPIKG-ZDUSSCGKSA-N 1 2 372.494 3.586 50 0 FHAALO CC[N@H+](Cc1nc(-c2ccc(OC)c(OC)c2)no1)Cc1cccc(F)c1 ZINC000015368398 570838193 /nfs/dbraw/zinc/83/81/93/570838193.db2.gz NUAYXGCAIROTQQ-UHFFFAOYSA-N 1 2 371.412 3.915 50 0 FHAALO CC[N@@H+](Cc1nc(-c2ccc(OC)c(OC)c2)no1)Cc1cccc(F)c1 ZINC000015368398 570838196 /nfs/dbraw/zinc/83/81/96/570838196.db2.gz NUAYXGCAIROTQQ-UHFFFAOYSA-N 1 2 371.412 3.915 50 0 FHAALO COc1ccccc1C[N@H+](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000015446180 570838690 /nfs/dbraw/zinc/83/86/90/570838690.db2.gz RXXSBKCHSCGGPX-UHFFFAOYSA-N 1 2 352.356 3.785 50 0 FHAALO COc1ccccc1C[N@@H+](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000015446180 570838692 /nfs/dbraw/zinc/83/86/92/570838692.db2.gz RXXSBKCHSCGGPX-UHFFFAOYSA-N 1 2 352.356 3.785 50 0 FHAALO COc1ccccc1Nc1ncc2c(n1)CC[N@@H+](Cc1cccc(F)c1)C2 ZINC000015778833 570843643 /nfs/dbraw/zinc/84/36/43/570843643.db2.gz CFMASDQNIZNBPM-UHFFFAOYSA-N 1 2 364.424 3.926 50 0 FHAALO 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O=C(c1ccncc1)N1CC[NH+](Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000019373580 570887975 /nfs/dbraw/zinc/88/79/75/570887975.db2.gz BZXCDHZJIDTROH-UHFFFAOYSA-N 1 2 373.456 3.832 50 0 FHAALO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(-n2cccc2)cc1)c1ccc(F)cc1 ZINC000010656555 570890208 /nfs/dbraw/zinc/89/02/08/570890208.db2.gz WDOBCBWECFLIPX-HXUWFJFHSA-N 1 2 374.419 3.869 50 0 FHAALO C[C@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)Cc1ccc(Br)s1 ZINC000019542379 570892734 /nfs/dbraw/zinc/89/27/34/570892734.db2.gz LDDDIHKKJIMYQT-AAEUAGOBSA-N 1 2 359.333 3.637 50 0 FHAALO C[C@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)Cc1ccc(Br)s1 ZINC000019542379 570892736 /nfs/dbraw/zinc/89/27/36/570892736.db2.gz LDDDIHKKJIMYQT-AAEUAGOBSA-N 1 2 359.333 3.637 50 0 FHAALO COc1cc(OC)nc([C@H](c2ccccc2)[N@@H+]2CCc3ccccc3C2)n1 ZINC000019892497 570905438 /nfs/dbraw/zinc/90/54/38/570905438.db2.gz JRYRTCJRRXODGB-NRFANRHFSA-N 1 2 361.445 3.642 50 0 FHAALO COc1cc(OC)nc([C@H](c2ccccc2)[N@H+]2CCc3ccccc3C2)n1 ZINC000019892497 570905439 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571113508 /nfs/dbraw/zinc/11/35/08/571113508.db2.gz CZKKGYMDBMGOKV-VMPITWQZSA-N 1 2 351.450 3.558 50 0 FHAALO CCOc1ccc(C[N@@H+]2CCCC[C@@H]2c2nc(C)no2)cc1COC(C)=O ZINC000055100097 571116430 /nfs/dbraw/zinc/11/64/30/571116430.db2.gz AYFAAWXSGMSHDG-GOSISDBHSA-N 1 2 373.453 3.567 50 0 FHAALO CCOc1ccc(C[N@H+]2CCCC[C@@H]2c2nc(C)no2)cc1COC(C)=O ZINC000055100097 571116432 /nfs/dbraw/zinc/11/64/32/571116432.db2.gz AYFAAWXSGMSHDG-GOSISDBHSA-N 1 2 373.453 3.567 50 0 FHAALO O=C(c1ccc(Cl)s1)N1CC[N@@H+](C2CC2)C[C@@H]1Cc1ccccc1 ZINC000085472693 571117296 /nfs/dbraw/zinc/11/72/96/571117296.db2.gz RSGLJGXSEIBDHI-INIZCTEOSA-N 1 2 360.910 3.933 50 0 FHAALO O=C(c1ccc(Cl)s1)N1CC[N@H+](C2CC2)C[C@@H]1Cc1ccccc1 ZINC000085472693 571117298 /nfs/dbraw/zinc/11/72/98/571117298.db2.gz RSGLJGXSEIBDHI-INIZCTEOSA-N 1 2 360.910 3.933 50 0 FHAALO C[C@H]([NH2+]Cc1c[nH]nc1-c1ccc(F)cc1)c1nc(-c2ccncc2)no1 ZINC000055368800 571119946 /nfs/dbraw/zinc/11/99/46/571119946.db2.gz WORQYKCFGWZPSW-LBPRGKRZSA-N 1 2 364.384 3.512 50 0 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O=C(Cc1ccccc1)[C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000077297842 571206369 /nfs/dbraw/zinc/20/63/69/571206369.db2.gz RDOKVTIGZUVVKM-HXUWFJFHSA-N 1 2 373.456 3.536 50 0 FHAALO CCOc1ccc(Cl)cc1CN(C)C(=O)NCc1[nH+]ccn1C(C)C ZINC000534644680 571206386 /nfs/dbraw/zinc/20/63/86/571206386.db2.gz AODBCRMUUSNVCE-UHFFFAOYSA-N 1 2 364.877 3.858 50 0 FHAALO C[C@@H](C(=O)c1c[nH]c2ccccc12)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000035848175 571206761 /nfs/dbraw/zinc/20/67/61/571206761.db2.gz NNIKWDPJCSQAMG-HNNXBMFYSA-N 1 2 351.425 3.700 50 0 FHAALO Cn1cnnc1-c1ccc(-n2cc[nH+]c2-c2cccc(-n3cccn3)c2)cc1 ZINC000077321199 571207619 /nfs/dbraw/zinc/20/76/19/571207619.db2.gz KDTQPDKMRCGLFG-UHFFFAOYSA-N 1 2 367.416 3.521 50 0 FHAALO O=C(NCC1(c2ccc(Cl)cc2)CC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000534660534 571207787 /nfs/dbraw/zinc/20/77/87/571207787.db2.gz GHUBBLXJZWXQQL-CQSZACIVSA-N 1 2 358.873 3.684 50 0 FHAALO COc1c2c(cc3c1[C@H](CC(=O)c1ccc(Cl)cc1)[N@H+](C)CC3)OCO2 ZINC000019942984 571207888 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FHAALO CC[N@H+](Cc1cccs1)Cc1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000023804882 211396472 /nfs/dbraw/zinc/39/64/72/211396472.db2.gz PRACMPLKXWEBSS-UHFFFAOYSA-N 1 2 359.520 3.947 50 0 FHAALO CC[N@@H+](Cc1cccs1)Cc1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000023804882 211396477 /nfs/dbraw/zinc/39/64/77/211396477.db2.gz PRACMPLKXWEBSS-UHFFFAOYSA-N 1 2 359.520 3.947 50 0 FHAALO Cn1cc[nH+]c1[C@H](NC(=O)CCCc1cccs1)c1cccc(F)c1 ZINC000023779855 211396161 /nfs/dbraw/zinc/39/61/61/211396161.db2.gz BDLALKNZUWBCPW-GOSISDBHSA-N 1 2 357.454 3.849 50 0 FHAALO Cc1nc(-c2ccccc2)sc1C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000023608743 211391755 /nfs/dbraw/zinc/39/17/55/211391755.db2.gz FHYKXYVWMAMESX-UHFFFAOYSA-N 1 2 370.503 3.815 50 0 FHAALO Cc1nc(-c2ccccc2)sc1C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000023608743 211391757 /nfs/dbraw/zinc/39/17/57/211391757.db2.gz FHYKXYVWMAMESX-UHFFFAOYSA-N 1 2 370.503 3.815 50 0 FHAALO Cc1nonc1[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccn(CCCF)n2)o1 ZINC000023428730 211390036 /nfs/dbraw/zinc/39/00/36/211390036.db2.gz CEGXOACSVNOKIM-MRXNPFEDSA-N 1 2 359.405 3.531 50 0 FHAALO Cc1nonc1[C@H]1CCC[N@H+]1Cc1ccc(-c2ccn(CCCF)n2)o1 ZINC000023428730 211390038 /nfs/dbraw/zinc/39/00/38/211390038.db2.gz CEGXOACSVNOKIM-MRXNPFEDSA-N 1 2 359.405 3.531 50 0 FHAALO Fc1ccc(CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c(Cl)c1 ZINC000023256057 211382508 /nfs/dbraw/zinc/38/25/08/211382508.db2.gz WIATZUXJNLJUKE-UHFFFAOYSA-N 1 2 362.832 3.526 50 0 FHAALO Cc1cnc(C)c(-c2cccc(-c3ccn(C[C@@H]4CCC[N@@H+](C)C4)n3)c2)n1 ZINC000023231335 211379805 /nfs/dbraw/zinc/37/98/05/211379805.db2.gz NLEQNOIZVXQNKO-GOSISDBHSA-N 1 2 361.493 3.966 50 0 FHAALO Cc1cnc(C)c(-c2cccc(-c3ccn(C[C@@H]4CCC[N@H+](C)C4)n3)c2)n1 ZINC000023231335 211379812 /nfs/dbraw/zinc/37/98/12/211379812.db2.gz NLEQNOIZVXQNKO-GOSISDBHSA-N 1 2 361.493 3.966 50 0 FHAALO C[N@@H+]1CCc2nc(NC(=O)C(c3ccccc3)c3ccccc3)sc2C1 ZINC000022698922 211360705 /nfs/dbraw/zinc/36/07/05/211360705.db2.gz FSWVXJRKVOVUNE-UHFFFAOYSA-N 1 2 363.486 3.902 50 0 FHAALO C[N@H+]1CCc2nc(NC(=O)C(c3ccccc3)c3ccccc3)sc2C1 ZINC000022698922 211360711 /nfs/dbraw/zinc/36/07/11/211360711.db2.gz FSWVXJRKVOVUNE-UHFFFAOYSA-N 1 2 363.486 3.902 50 0 FHAALO C[C@H](C(=O)Nc1cccc(Cl)c1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000022912751 211368579 /nfs/dbraw/zinc/36/85/79/211368579.db2.gz TYOAXQSQXITKPQ-CQSZACIVSA-N 1 2 363.914 3.546 50 0 FHAALO Nc1nc(C[N@@H+]2CCc3sccc3C2)nc2sc3c(c21)CCCC3 ZINC000022277755 211346273 /nfs/dbraw/zinc/34/62/73/211346273.db2.gz JUEBLIZPBKZPOZ-UHFFFAOYSA-N 1 2 356.520 3.772 50 0 FHAALO Nc1nc(C[N@H+]2CCc3sccc3C2)nc2sc3c(c21)CCCC3 ZINC000022277755 211346277 /nfs/dbraw/zinc/34/62/77/211346277.db2.gz JUEBLIZPBKZPOZ-UHFFFAOYSA-N 1 2 356.520 3.772 50 0 FHAALO C[C@@H](NC(=O)C[N@@H+]1CCc2sccc2C1)c1ccc2c(c1)CCCC2 ZINC000022277684 211345849 /nfs/dbraw/zinc/34/58/49/211345849.db2.gz NQWJHGNAXZJLGP-OAHLLOKOSA-N 1 2 354.519 3.862 50 0 FHAALO C[C@@H](NC(=O)C[N@H+]1CCc2sccc2C1)c1ccc2c(c1)CCCC2 ZINC000022277684 211345854 /nfs/dbraw/zinc/34/58/54/211345854.db2.gz NQWJHGNAXZJLGP-OAHLLOKOSA-N 1 2 354.519 3.862 50 0 FHAALO COc1ccc([C@H](CNC(=O)c2ccc(C(C)=O)s2)[NH+]2CCCC2)cc1 ZINC000021912107 211329957 /nfs/dbraw/zinc/32/99/57/211329957.db2.gz ALNPYSUGIFEODI-KRWDZBQOSA-N 1 2 372.490 3.526 50 0 FHAALO Cc1ccc(Cl)cc1-n1ncc2c1nc[nH+]c2NCc1ccccn1 ZINC000020662010 211291310 /nfs/dbraw/zinc/29/13/10/211291310.db2.gz MPWPUQSKWOBKDK-UHFFFAOYSA-N 1 2 350.813 3.784 50 0 FHAALO CCOc1cc([C@@H]2N(C(C)=O)C[C@H]3c4ccccc4CC[N@@H+]32)ccc1OC ZINC000020506943 211283592 /nfs/dbraw/zinc/28/35/92/211283592.db2.gz HQKMUKHHTVHRRJ-UGKGYDQZSA-N 1 2 366.461 3.554 50 0 FHAALO CCOc1cc([C@@H]2N(C(C)=O)C[C@H]3c4ccccc4CC[N@H+]32)ccc1OC ZINC000020506943 211283596 /nfs/dbraw/zinc/28/35/96/211283596.db2.gz HQKMUKHHTVHRRJ-UGKGYDQZSA-N 1 2 366.461 3.554 50 0 FHAALO COc1cccc(C[NH+]2CCN(C(=O)c3cccc4ccccc43)CC2)c1 ZINC000019565314 211233073 /nfs/dbraw/zinc/23/30/73/211233073.db2.gz VZLYFAIAYDKPPV-UHFFFAOYSA-N 1 2 360.457 3.806 50 0 FHAALO COc1ccc(OC)c(C[NH+]2CCN(Cc3ccc(SC)cc3)CC2)c1 ZINC000019360156 211217964 /nfs/dbraw/zinc/21/79/64/211217964.db2.gz SVWCONVDTTYCNC-UHFFFAOYSA-N 1 2 372.534 3.744 50 0 FHAALO C[C@@H](NC(=O)c1ccc2c(c1)OCCCO2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000018048492 211190910 /nfs/dbraw/zinc/19/09/10/211190910.db2.gz VGGWGHAGSAAUBJ-OAHLLOKOSA-N 1 2 363.417 3.525 50 0 FHAALO COc1ccc(C[N@H+](C)Cc2nc(-c3ccccc3C)no2)c(OC)c1 ZINC000015298318 211126535 /nfs/dbraw/zinc/12/65/35/211126535.db2.gz BDBIVZWUIJGRGZ-UHFFFAOYSA-N 1 2 353.422 3.694 50 0 FHAALO COc1ccc(C[N@@H+](C)Cc2nc(-c3ccccc3C)no2)c(OC)c1 ZINC000015298318 211126537 /nfs/dbraw/zinc/12/65/37/211126537.db2.gz BDBIVZWUIJGRGZ-UHFFFAOYSA-N 1 2 353.422 3.694 50 0 FHAALO O=C1[C@@H]2C[C@@H](C[N@H+]2Cc2cccc3cccnc32)N1c1cccc(Cl)c1 ZINC000014999132 211112741 /nfs/dbraw/zinc/11/27/41/211112741.db2.gz QEXYNONTHQXHGI-OALUTQOASA-N 1 2 363.848 3.878 50 0 FHAALO O=C1[C@@H]2C[C@@H](C[N@@H+]2Cc2cccc3cccnc32)N1c1cccc(Cl)c1 ZINC000014999132 211112747 /nfs/dbraw/zinc/11/27/47/211112747.db2.gz QEXYNONTHQXHGI-OALUTQOASA-N 1 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O=C(NC[C@H](c1ccco1)[N@@H+]1CCc2ccccc2C1)c1cccs1 ZINC000022906953 220402986 /nfs/dbraw/zinc/40/29/86/220402986.db2.gz WZMVFSRENWLYNC-QGZVFWFLSA-N 1 2 352.459 3.871 50 0 FHAALO O=C(NC[C@H](c1ccco1)[N@H+]1CCc2ccccc2C1)c1cccs1 ZINC000022906953 220402989 /nfs/dbraw/zinc/40/29/89/220402989.db2.gz WZMVFSRENWLYNC-QGZVFWFLSA-N 1 2 352.459 3.871 50 0 FHAALO C[C@@H](c1nnc(-c2ccccc2)o1)N1CC[NH+](Cc2ccccc2F)CC1 ZINC000022777117 220398444 /nfs/dbraw/zinc/39/84/44/220398444.db2.gz BSZQFSICPNISPO-INIZCTEOSA-N 1 2 366.440 3.755 50 0 FHAALO O=C(C[NH+]1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1)c1ccccc1 ZINC000049377787 221021895 /nfs/dbraw/zinc/02/18/95/221021895.db2.gz ZUHRMXYBUWVELG-UHFFFAOYSA-N 1 2 365.408 3.938 50 0 FHAALO CCCNc1cc(N2CCC[C@@H](CCC(=O)Nc3ccccc3)C2)nc[nH+]1 ZINC000065244881 221185540 /nfs/dbraw/zinc/18/55/40/221185540.db2.gz KGFVBZNLHGHVFH-KRWDZBQOSA-N 1 2 367.497 3.934 50 0 FHAALO CCCNc1cc(N2CCC[C@@H](CCC(=O)Nc3ccccc3)C2)[nH+]cn1 ZINC000065244881 221185544 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CCCc1sc(C(=O)NCc2cccnc2-n2cc[nH+]c2)cc1CC ZINC000029950958 571044985 /nfs/dbraw/zinc/04/49/85/571044985.db2.gz BCTBMZYHEBWHIF-UHFFFAOYSA-N 1 2 354.479 3.774 50 0 FHAALO Cn1cc[nH+]c1[C@H](NC(=O)CCc1ccc(F)cc1)c1cccc(F)c1 ZINC000029987143 571045130 /nfs/dbraw/zinc/04/51/30/571045130.db2.gz GTMLIUQQUZFFMS-LJQANCHMSA-N 1 2 355.388 3.537 50 0 FHAALO Cc1ccc(C(=O)CCC(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)s1 ZINC000040013011 571067754 /nfs/dbraw/zinc/06/77/54/571067754.db2.gz HLNLHIDCBZMQJA-QGZVFWFLSA-N 1 2 356.491 3.535 50 0 FHAALO Cc1ccc(C(=O)CCC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)s1 ZINC000040013011 571067757 /nfs/dbraw/zinc/06/77/57/571067757.db2.gz HLNLHIDCBZMQJA-QGZVFWFLSA-N 1 2 356.491 3.535 50 0 FHAALO OCCNc1nc(NCc2cccc(C(F)(F)F)c2)[nH+]c2ccccc21 ZINC000012782826 571099451 /nfs/dbraw/zinc/09/94/51/571099451.db2.gz UBDQIFCQHXXWLF-UHFFFAOYSA-N 1 2 362.355 3.665 50 0 FHAALO Cn1cc[nH+]c1[C@H](NC(=O)Cc1ccccc1Cl)c1cccc(F)c1 ZINC000009154128 571099477 /nfs/dbraw/zinc/09/94/77/571099477.db2.gz RYXJVWVWEZRTOI-GOSISDBHSA-N 1 2 357.816 3.661 50 0 FHAALO Cn1cc[nH+]c1[C@H](NC(=O)c1ccccc1Br)c1ccccc1 ZINC000009157072 571099716 /nfs/dbraw/zinc/09/97/16/571099716.db2.gz XGYWIYRRUUJSGI-MRXNPFEDSA-N 1 2 370.250 3.702 50 0 FHAALO CCOc1ccc([C@H](C)[NH2+]Cc2nnc(-c3ccc(OC)cc3)o2)cc1 ZINC000009454797 571109557 /nfs/dbraw/zinc/10/95/57/571109557.db2.gz YPSKTQFJFUYFGD-AWEZNQCLSA-N 1 2 353.422 3.995 50 0 FHAALO CC(=O)c1cc(C[NH+]2CCN(c3nsc4ccccc43)CC2)cs1 ZINC000244601982 571113862 /nfs/dbraw/zinc/11/38/62/571113862.db2.gz DVMSTQBVJLUCFL-UHFFFAOYSA-N 1 2 357.504 3.883 50 0 FHAALO c1ccc(-c2noc(C[N@@H+]3CCC[C@@H]3c3ccc4c(c3)OCCO4)n2)cc1 ZINC000009591803 571114496 /nfs/dbraw/zinc/11/44/96/571114496.db2.gz KUEHFAGFTLJSIK-QGZVFWFLSA-N 1 2 363.417 3.845 50 0 FHAALO c1ccc(-c2noc(C[N@H+]3CCC[C@@H]3c3ccc4c(c3)OCCO4)n2)cc1 ZINC000009591803 571114498 /nfs/dbraw/zinc/11/44/98/571114498.db2.gz KUEHFAGFTLJSIK-QGZVFWFLSA-N 1 2 363.417 3.845 50 0 FHAALO c1ccc(-c2noc(C[N@@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)n2)cc1 ZINC000009591806 571114850 /nfs/dbraw/zinc/11/48/50/571114850.db2.gz KUEHFAGFTLJSIK-KRWDZBQOSA-N 1 2 363.417 3.845 50 0 FHAALO c1ccc(-c2noc(C[N@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)n2)cc1 ZINC000009591806 571114852 /nfs/dbraw/zinc/11/48/52/571114852.db2.gz KUEHFAGFTLJSIK-KRWDZBQOSA-N 1 2 363.417 3.845 50 0 FHAALO Cc1ccc(NC(=O)C2CCCCC2)c(NC(=O)[C@@H](C)n2cc[nH+]c2)c1 ZINC000055099955 571116610 /nfs/dbraw/zinc/11/66/10/571116610.db2.gz HZNCXIAVXQWCTO-OAHLLOKOSA-N 1 2 354.454 3.910 50 0 FHAALO O=C(Nc1ccc2c(c1)OCO2)Nc1cccc(-c2c[nH+]c3n2CCC3)c1 ZINC000085471574 571116810 /nfs/dbraw/zinc/11/68/10/571116810.db2.gz PGZBHDIPIAXOPM-UHFFFAOYSA-N 1 2 362.389 3.869 50 0 FHAALO CC[C@H](Cn1cc[nH+]c1)NC(=O)c1cccc(NCc2ccc(F)cc2)c1 ZINC000055131707 571117013 /nfs/dbraw/zinc/11/70/13/571117013.db2.gz RNDOPMYAUMNVCU-LJQANCHMSA-N 1 2 366.440 3.843 50 0 FHAALO Cc1ccsc1CNc1cccc(C(=O)NCCCn2cc[nH+]c2)c1 ZINC000055283252 571119145 /nfs/dbraw/zinc/11/91/45/571119145.db2.gz OBOFDKTYJBEQQQ-UHFFFAOYSA-N 1 2 354.479 3.685 50 0 FHAALO CC(=O)c1ccc(N2CC[NH+](Cc3ccccc3Br)CC2)cc1 ZINC000057449714 571122345 /nfs/dbraw/zinc/12/23/45/571122345.db2.gz ZDPWIGQMGNTFTR-UHFFFAOYSA-N 1 2 373.294 3.974 50 0 FHAALO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@H]3C[C@@H]3c3cccnc3)n2)C1 ZINC000057994828 571123828 /nfs/dbraw/zinc/12/38/28/571123828.db2.gz DJJYDELBEUZBPN-KBRIMQKVSA-N 1 2 356.495 3.512 50 0 FHAALO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@H]3C[C@@H]3c3cccnc3)n2)C1 ZINC000057994828 571123830 /nfs/dbraw/zinc/12/38/30/571123830.db2.gz DJJYDELBEUZBPN-KBRIMQKVSA-N 1 2 356.495 3.512 50 0 FHAALO CC(C)OC(=O)Cc1nc(C[N@@H+]2CCc3sccc3[C@H]2C)cs1 ZINC000058010027 571124175 /nfs/dbraw/zinc/12/41/75/571124175.db2.gz LGVAETFMNBTMML-GFCCVEGCSA-N 1 2 350.509 3.818 50 0 FHAALO CC(C)OC(=O)Cc1nc(C[N@H+]2CCc3sccc3[C@H]2C)cs1 ZINC000058010027 571124177 /nfs/dbraw/zinc/12/41/77/571124177.db2.gz LGVAETFMNBTMML-GFCCVEGCSA-N 1 2 350.509 3.818 50 0 FHAALO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1ccc(F)cc1F)c1ccccc1F ZINC000010260917 571124295 /nfs/dbraw/zinc/12/42/95/571124295.db2.gz SFEQIZGGOHEEEA-INIZCTEOSA-N 1 2 360.339 3.749 50 0 FHAALO Cc1cc(N)nc(SCC[S@@](=O)c2cc(Cl)ccc2Cl)[nH+]1 ZINC000077222936 571140122 /nfs/dbraw/zinc/14/01/22/571140122.db2.gz GFCVYJJIKPURFX-NRFANRHFSA-N 1 2 362.307 3.574 50 0 FHAALO Cc1oc2c(c1C(=O)NC1CCCC1)C[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000065291948 571151312 /nfs/dbraw/zinc/15/13/12/571151312.db2.gz YQKQLOPDGCTRCU-UHFFFAOYSA-N 1 2 356.441 3.958 50 0 FHAALO Cc1oc2c(c1C(=O)NC1CCCC1)C[N@H+](Cc1ccc(F)cc1)CC2 ZINC000065291948 571151313 /nfs/dbraw/zinc/15/13/13/571151313.db2.gz YQKQLOPDGCTRCU-UHFFFAOYSA-N 1 2 356.441 3.958 50 0 FHAALO O=C(c1ccc(OC(F)(F)F)cc1)N1CCC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000575611958 571165145 /nfs/dbraw/zinc/16/51/45/571165145.db2.gz HKDTZSIWELSFIE-MRXNPFEDSA-N 1 2 366.339 3.664 50 0 FHAALO O=C(COc1ccc2ccccc2c1)N1CCC[C@H](Oc2cc[nH+]cc2)C1 ZINC000575614066 571165699 /nfs/dbraw/zinc/16/56/99/571165699.db2.gz VXTUYQTYKUBRLB-NRFANRHFSA-N 1 2 362.429 3.684 50 0 FHAALO CCn1c(SCc2cn3ccccc3[nH+]2)nnc1-c1ccc(OC)cc1 ZINC000005851062 571166879 /nfs/dbraw/zinc/16/68/79/571166879.db2.gz ZUAHQSINPUTZGR-UHFFFAOYSA-N 1 2 365.462 3.914 50 0 FHAALO O=C(NCCCn1cc[nH+]c1)c1cc(-c2cccs2)nc2ccccc21 ZINC000005942369 571168866 /nfs/dbraw/zinc/16/88/66/571168866.db2.gz VIXZOJNCKBQMAW-UHFFFAOYSA-N 1 2 362.458 3.980 50 0 FHAALO COc1cccc([C@H]2CCCC[N@@H+]2Cc2ccc(S(C)(=O)=O)cc2)c1 ZINC000072146211 571173302 /nfs/dbraw/zinc/17/33/02/571173302.db2.gz WFZPMPWYYICSRL-HXUWFJFHSA-N 1 2 359.491 3.826 50 0 FHAALO COc1cccc([C@H]2CCCC[N@H+]2Cc2ccc(S(C)(=O)=O)cc2)c1 ZINC000072146211 571173304 /nfs/dbraw/zinc/17/33/04/571173304.db2.gz WFZPMPWYYICSRL-HXUWFJFHSA-N 1 2 359.491 3.826 50 0 FHAALO CCc1nn(C)c(Cl)c1CN1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000072146900 571173708 /nfs/dbraw/zinc/17/37/08/571173708.db2.gz YRAMRTQEPKKDPH-UHFFFAOYSA-N 1 2 367.324 3.607 50 0 FHAALO Cc1ccccc1OCC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000012529968 571174877 /nfs/dbraw/zinc/17/48/77/571174877.db2.gz CNUVLGYVZDATIV-LJQANCHMSA-N 1 2 369.852 3.667 50 0 FHAALO Cc1noc(C)c1C[NH+]1CCN(C(=O)Nc2cccc3ccccc32)CC1 ZINC000042115566 571175428 /nfs/dbraw/zinc/17/54/28/571175428.db2.gz CVSVDVZGLOLEEF-UHFFFAOYSA-N 1 2 364.449 3.794 50 0 FHAALO Cn1c(=O)c2sccc2nc1SCc1cn2cc(Cl)ccc2[nH+]1 ZINC000012538820 571176521 /nfs/dbraw/zinc/17/65/21/571176521.db2.gz JOZIKBHBJIZMJV-UHFFFAOYSA-N 1 2 362.867 3.588 50 0 FHAALO Cc1cc(Cl)ccc1-n1ncc2c1nc[nH+]c2NCc1cccnc1 ZINC000035681871 571187337 /nfs/dbraw/zinc/18/73/37/571187337.db2.gz CNYQGIGCVXYIPH-UHFFFAOYSA-N 1 2 350.813 3.784 50 0 FHAALO O=C(NCc1ccc(-n2cc[nH+]c2)nc1)Nc1ccc(Cl)c(Cl)c1 ZINC000012602568 571190142 /nfs/dbraw/zinc/19/01/42/571190142.db2.gz ZCNXIPJDCBLBRL-UHFFFAOYSA-N 1 2 362.220 3.896 50 0 FHAALO CC(C)Cc1noc([C@H](C)n2ccnc2-c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000072419468 571192866 /nfs/dbraw/zinc/19/28/66/571192866.db2.gz UNUWNIJFNDDEFH-HNNXBMFYSA-N 1 2 362.437 3.927 50 0 FHAALO CN(Cc1csc(-c2ccccc2)n1)C(=O)Cc1c[nH+]c2ccccn12 ZINC000072425001 571194165 /nfs/dbraw/zinc/19/41/65/571194165.db2.gz PSCQBHPXGSURAN-UHFFFAOYSA-N 1 2 362.458 3.659 50 0 FHAALO CC[NH+]1CCN(C(=O)c2ccc(-c3nc4ccccc4s3)s2)CC1 ZINC000054232983 571205072 /nfs/dbraw/zinc/20/50/72/571205072.db2.gz UWUDCQQAISVQOP-UHFFFAOYSA-N 1 2 357.504 3.803 50 0 FHAALO Cc1[nH]c2ccc(CC(=O)NCC3(c4ccc(Cl)cc4)CC3)cc2[nH+]1 ZINC000534591379 571205595 /nfs/dbraw/zinc/20/55/95/571205595.db2.gz GYCFGRAUSFNJHT-UHFFFAOYSA-N 1 2 353.853 3.915 50 0 FHAALO Cc1[nH]c2cc(CC(=O)NCC3(c4ccc(Cl)cc4)CC3)ccc2[nH+]1 ZINC000534591379 571205598 /nfs/dbraw/zinc/20/55/98/571205598.db2.gz GYCFGRAUSFNJHT-UHFFFAOYSA-N 1 2 353.853 3.915 50 0 FHAALO CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccccc1-c1[nH]cc[nH+]1 ZINC000077356473 571208749 /nfs/dbraw/zinc/20/87/49/571208749.db2.gz YYOLFXVDQNHTJA-UHFFFAOYSA-N 1 2 357.417 3.535 50 0 FHAALO COc1cc(-c2[nH+]ccn2Cc2cc(-c3ccco3)on2)cc2c1OCO2 ZINC000077469792 571212503 /nfs/dbraw/zinc/21/25/03/571212503.db2.gz IOPTXKKPSNFUND-UHFFFAOYSA-N 1 2 365.345 3.584 50 0 FHAALO CCCNc1ncc(C[NH+]2CCC(c3nc4ccc(F)cc4[nH]3)CC2)cn1 ZINC000077489969 571213849 /nfs/dbraw/zinc/21/38/49/571213849.db2.gz LXQDFEGHHBAYKR-UHFFFAOYSA-N 1 2 368.460 3.694 50 0 FHAALO CN(Cc1[nH+]ccn1C)C(=O)c1cccc(-c2ccc(C(=O)C3CC3)cc2)c1 ZINC000426386914 571217990 /nfs/dbraw/zinc/21/79/90/571217990.db2.gz OKDJEVVLIIKCJF-UHFFFAOYSA-N 1 2 373.456 3.952 50 0 FHAALO CC[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(-c2sc(C)nc2C)cc1 ZINC000426401677 571220219 /nfs/dbraw/zinc/22/02/19/571220219.db2.gz GLZFJVVDQYWZFH-KRWDZBQOSA-N 1 2 354.479 3.832 50 0 FHAALO CC1(C)CN(c2ccc(C[NH+]3CCOCC3)cn2)C[C@@H]1c1ccccc1 ZINC000426424248 571223822 /nfs/dbraw/zinc/22/38/22/571223822.db2.gz KFLZRRDIEWYYDG-HXUWFJFHSA-N 1 2 351.494 3.544 50 0 FHAALO Cc1cccc(NC(=O)N[C@H](C)[C@H](c2cccs2)[NH+]2CCOCC2)c1 ZINC000023182633 571225573 /nfs/dbraw/zinc/22/55/73/571225573.db2.gz ZGNNSNHCOUGADA-CRAIPNDOSA-N 1 2 359.495 3.640 50 0 FHAALO C[C@@H](NC(=O)c1cccc(Cl)c1)[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000023180990 571226526 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/nfs/dbraw/zinc/39/47/16/211394716.db2.gz CBUSGCNNTSOATK-UHFFFAOYSA-N 1 2 365.477 3.874 50 0 FHAALO C[N@H+](Cc1ccc2ccccc2c1)CN1C(=O)NC2(CCCCCC2)C1=O ZINC000023717757 211394718 /nfs/dbraw/zinc/39/47/18/211394718.db2.gz CBUSGCNNTSOATK-UHFFFAOYSA-N 1 2 365.477 3.874 50 0 FHAALO COc1cccc(Nc2ncc(C[N@@H+]3CCC[C@H]3c3nonc3C)s2)c1 ZINC000023580937 211391036 /nfs/dbraw/zinc/39/10/36/211391036.db2.gz QRLYWLFBAIELBK-INIZCTEOSA-N 1 2 371.466 3.924 50 0 FHAALO COc1cccc(Nc2ncc(C[N@H+]3CCC[C@H]3c3nonc3C)s2)c1 ZINC000023580937 211391041 /nfs/dbraw/zinc/39/10/41/211391041.db2.gz QRLYWLFBAIELBK-INIZCTEOSA-N 1 2 371.466 3.924 50 0 FHAALO CSc1cccc(C[N@@H+]2CCN(Cc3cccs3)[C@@H](CCO)C2)c1 ZINC000023373998 211386079 /nfs/dbraw/zinc/38/60/79/211386079.db2.gz IHPJKJXGTNOHJX-KRWDZBQOSA-N 1 2 362.564 3.539 50 0 FHAALO CSc1cccc(C[N@H+]2CCN(Cc3cccs3)[C@@H](CCO)C2)c1 ZINC000023373998 211386082 /nfs/dbraw/zinc/38/60/82/211386082.db2.gz IHPJKJXGTNOHJX-KRWDZBQOSA-N 1 2 362.564 3.539 50 0 FHAALO COc1ccc(C[N@H+](Cc2nnc(-c3ccc(OC)cc3)o2)C2CC2)cc1 ZINC000022090004 211336743 /nfs/dbraw/zinc/33/67/43/211336743.db2.gz MIZQUMBWEGXKCD-UHFFFAOYSA-N 1 2 365.433 3.918 50 0 FHAALO COc1cccc(-c2nc(CSc3nc(N)cc(C)[nH+]3)cs2)c1OC ZINC000022090563 211337515 /nfs/dbraw/zinc/33/75/15/211337515.db2.gz DNRJBPBQUAADDW-UHFFFAOYSA-N 1 2 374.491 3.800 50 0 FHAALO COc1ccc(C[N@@H+](Cc2nnc(-c3ccc(OC)cc3)o2)C2CC2)cc1 ZINC000022090004 211336751 /nfs/dbraw/zinc/33/67/51/211336751.db2.gz MIZQUMBWEGXKCD-UHFFFAOYSA-N 1 2 365.433 3.918 50 0 FHAALO C[C@H]1c2ccsc2CC[N@H+]1CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000021584705 211316606 /nfs/dbraw/zinc/31/66/06/211316606.db2.gz YVXKMMKVKGRXBL-LBPRGKRZSA-N 1 2 355.912 3.795 50 0 FHAALO C[C@H]1c2ccsc2CC[N@@H+]1CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000021584705 211316608 /nfs/dbraw/zinc/31/66/08/211316608.db2.gz YVXKMMKVKGRXBL-LBPRGKRZSA-N 1 2 355.912 3.795 50 0 FHAALO C[C@H](O)CNc1[nH+]c2ccccc2n1Cc1coc(-c2cccs2)n1 ZINC000021196859 211310573 /nfs/dbraw/zinc/31/05/73/211310573.db2.gz SUILATLIGQKORV-LBPRGKRZSA-N 1 2 354.435 3.594 50 0 FHAALO C[C@H](CNC(=O)[C@@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1)c1ccccc1 ZINC000021159109 211309317 /nfs/dbraw/zinc/30/93/17/211309317.db2.gz NPFPNHRAQYRJEU-SJLPKXTDSA-N 1 2 362.477 3.699 50 0 FHAALO CCOCCCNC(=O)Nc1ccc(CCc2[nH]c3ccccc3[nH+]2)cc1 ZINC000021704913 211321207 /nfs/dbraw/zinc/32/12/07/211321207.db2.gz VCXKECKSVNAUMB-UHFFFAOYSA-N 1 2 366.465 3.896 50 0 FHAALO Cc1cccc(C)c1NC(=S)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000020725833 211293670 /nfs/dbraw/zinc/29/36/70/211293670.db2.gz DRSMALQYTIHCNV-UHFFFAOYSA-N 1 2 355.507 3.945 50 0 FHAALO Cc1c(Cl)cccc1-n1nnnc1[C@@H]1c2ccccc2CC(C)(C)[N@@H+]1C ZINC000020478009 211282186 /nfs/dbraw/zinc/28/21/86/211282186.db2.gz UCDQYIIWFBHUAY-SFHVURJKSA-N 1 2 367.884 3.980 50 0 FHAALO Cc1c(Cl)cccc1-n1nnnc1[C@@H]1c2ccccc2CC(C)(C)[N@H+]1C ZINC000020478009 211282191 /nfs/dbraw/zinc/28/21/91/211282191.db2.gz UCDQYIIWFBHUAY-SFHVURJKSA-N 1 2 367.884 3.980 50 0 FHAALO c1ccc(-c2nc3c4ccccc4oc3c(NCC[NH+]3CCOCC3)n2)cc1 ZINC000020444069 211278536 /nfs/dbraw/zinc/27/85/36/211278536.db2.gz OORYOBWUNYXMQT-UHFFFAOYSA-N 1 2 374.444 3.787 50 0 FHAALO CCCOc1ccc(/C=C2/SC(=O)N(C[NH+]3CCCCC3)C2=O)cc1 ZINC000019911690 211262250 /nfs/dbraw/zinc/26/22/50/211262250.db2.gz KSTABUUKKAOWPQ-GHRIWEEISA-N 1 2 360.479 3.955 50 0 FHAALO COc1ccc(OC)c(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000019781704 211255197 /nfs/dbraw/zinc/25/51/97/211255197.db2.gz LKVQZPJBTRMCRJ-UHFFFAOYSA-N 1 2 360.885 3.675 50 0 FHAALO COc1ccc(OC)c(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000019781704 211255200 /nfs/dbraw/zinc/25/52/00/211255200.db2.gz LKVQZPJBTRMCRJ-UHFFFAOYSA-N 1 2 360.885 3.675 50 0 FHAALO C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)Cc1ccc(Br)s1 ZINC000019542380 211231703 /nfs/dbraw/zinc/23/17/03/211231703.db2.gz LDDDIHKKJIMYQT-DGCLKSJQSA-N 1 2 359.333 3.637 50 0 FHAALO C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)Cc1ccc(Br)s1 ZINC000019542380 211231707 /nfs/dbraw/zinc/23/17/07/211231707.db2.gz LDDDIHKKJIMYQT-DGCLKSJQSA-N 1 2 359.333 3.637 50 0 FHAALO O=C(c1sc2ccccc2c1Cl)N1CCN(c2cccc[nH+]2)CC1 ZINC000019144809 211205069 /nfs/dbraw/zinc/20/50/69/211205069.db2.gz BQFLTNJXPSGZML-UHFFFAOYSA-N 1 2 357.866 3.912 50 0 FHAALO CCCCCOc1ccc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)cc1 ZINC000015880107 211149607 /nfs/dbraw/zinc/14/96/07/211149607.db2.gz YIVKYEBNOIQJBN-UHFFFAOYSA-N 1 2 359.495 3.952 50 0 FHAALO CCCCCOc1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)cc1 ZINC000015880107 211149612 /nfs/dbraw/zinc/14/96/12/211149612.db2.gz YIVKYEBNOIQJBN-UHFFFAOYSA-N 1 2 359.495 3.952 50 0 FHAALO Cc1ccc([C@@H](C)NC(=O)c2cc(C[N@H+](C)Cc3ccccc3)on2)cn1 ZINC000015067528 211116643 /nfs/dbraw/zinc/11/66/43/211116643.db2.gz UVILZKQVXQQNDW-MRXNPFEDSA-N 1 2 364.449 3.501 50 0 FHAALO Cc1ccc([C@@H](C)NC(=O)c2cc(C[N@@H+](C)Cc3ccccc3)on2)cn1 ZINC000015067528 211116647 /nfs/dbraw/zinc/11/66/47/211116647.db2.gz UVILZKQVXQQNDW-MRXNPFEDSA-N 1 2 364.449 3.501 50 0 FHAALO Cc1nn(C[N@@H+](C)Cc2ccc(Br)cc2)c(=S)n1C1CC1 ZINC000014238731 211086906 /nfs/dbraw/zinc/08/69/06/211086906.db2.gz PWBKEJYLOZQJOX-UHFFFAOYSA-N 1 2 367.316 3.909 50 0 FHAALO Cc1nn(C[N@H+](C)Cc2ccc(Br)cc2)c(=S)n1C1CC1 ZINC000014238731 211086908 /nfs/dbraw/zinc/08/69/08/211086908.db2.gz PWBKEJYLOZQJOX-UHFFFAOYSA-N 1 2 367.316 3.909 50 0 FHAALO Fc1ccc([C@H]([NH2+]Cc2nnnn2-c2ccccc2)c2cccs2)cc1 ZINC000014199165 211085195 /nfs/dbraw/zinc/08/51/95/211085195.db2.gz CJZOWGBGKNZUEH-IBGZPJMESA-N 1 2 365.437 3.742 50 0 FHAALO Cc1ccc([C@H](NC(=O)C[N@@H+](C)Cc2ccco2)c2cccs2)cc1 ZINC000014140194 211076402 /nfs/dbraw/zinc/07/64/02/211076402.db2.gz RHCWSXUMYFDLIZ-FQEVSTJZSA-N 1 2 354.475 3.987 50 0 FHAALO Cc1ccc([C@H](NC(=O)C[N@H+](C)Cc2ccco2)c2cccs2)cc1 ZINC000014140194 211076405 /nfs/dbraw/zinc/07/64/05/211076405.db2.gz RHCWSXUMYFDLIZ-FQEVSTJZSA-N 1 2 354.475 3.987 50 0 FHAALO CC(=O)Nc1ccc(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)cc1 ZINC000014141398 211078953 /nfs/dbraw/zinc/07/89/53/211078953.db2.gz VEVIVAGENRPIKG-CYBMUJFWSA-N 1 2 372.494 3.586 50 0 FHAALO CC(=O)Nc1ccc(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)cc1 ZINC000014141398 211078956 /nfs/dbraw/zinc/07/89/56/211078956.db2.gz VEVIVAGENRPIKG-CYBMUJFWSA-N 1 2 372.494 3.586 50 0 FHAALO Clc1cc2c(cc1C[N@@H+](Cc1ccccn1)C[C@H]1CCCO1)OCO2 ZINC000013990484 211067006 /nfs/dbraw/zinc/06/70/06/211067006.db2.gz ZLGYZYQDUAFZHC-MRXNPFEDSA-N 1 2 360.841 3.645 50 0 FHAALO Clc1cc2c(cc1C[N@H+](Cc1ccccn1)C[C@H]1CCCO1)OCO2 ZINC000013990484 211067008 /nfs/dbraw/zinc/06/70/08/211067008.db2.gz ZLGYZYQDUAFZHC-MRXNPFEDSA-N 1 2 360.841 3.645 50 0 FHAALO c1ccc(CO[C@H]2CCC[N@H+](Cc3nc(Cc4ccccc4)no3)C2)cc1 ZINC000013594418 211042494 /nfs/dbraw/zinc/04/24/94/211042494.db2.gz OXQUWTGXGUJSBI-FQEVSTJZSA-N 1 2 363.461 3.842 50 0 FHAALO c1ccc(CO[C@H]2CCC[N@@H+](Cc3nc(Cc4ccccc4)no3)C2)cc1 ZINC000013594418 211042498 /nfs/dbraw/zinc/04/24/98/211042498.db2.gz OXQUWTGXGUJSBI-FQEVSTJZSA-N 1 2 363.461 3.842 50 0 FHAALO C[C@H](NC(=O)COc1ccccc1Cl)c1ccc(-n2cc[nH+]c2)cc1 ZINC000013074345 211023279 /nfs/dbraw/zinc/02/32/79/211023279.db2.gz QKBLKXITFVZRCA-AWEZNQCLSA-N 1 2 355.825 3.782 50 0 FHAALO Cc1cc(C)cc(OCC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c1 ZINC000012925453 211009148 /nfs/dbraw/zinc/00/91/48/211009148.db2.gz ZLBHFVKBEKESNP-UHFFFAOYSA-N 1 2 359.495 3.763 50 0 FHAALO CC(C)(C)c1ccc(OCC(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000012925052 211008920 /nfs/dbraw/zinc/00/89/20/211008920.db2.gz UHDXJLRUJUXNBL-UHFFFAOYSA-N 1 2 367.493 3.675 50 0 FHAALO O=C(COc1ccc2ccccc2c1)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000012928255 211008474 /nfs/dbraw/zinc/00/84/74/211008474.db2.gz WUWKUPHEWRXWAY-UHFFFAOYSA-N 1 2 361.445 3.530 50 0 FHAALO CC[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCC(c2ccccc2)=N1 ZINC000012896024 211004291 /nfs/dbraw/zinc/00/42/91/211004291.db2.gz XXIGPVBYUHVKPE-SFHVURJKSA-N 1 2 353.491 3.694 50 0 FHAALO CC[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCC(c2ccccc2)=N1 ZINC000012896024 211004295 /nfs/dbraw/zinc/00/42/95/211004295.db2.gz XXIGPVBYUHVKPE-SFHVURJKSA-N 1 2 353.491 3.694 50 0 FHAALO O=C(C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)Nc1ccccc1Cl ZINC000012902351 211005793 /nfs/dbraw/zinc/00/57/93/211005793.db2.gz ZCCKPAIOOZBUMB-UHFFFAOYSA-N 1 2 371.868 3.629 50 0 FHAALO CSc1ccc(C[N@H+](C)[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)cc1 ZINC000012744928 210985471 /nfs/dbraw/zinc/98/54/71/210985471.db2.gz RDQRVGXLKRXNGU-LJQANCHMSA-N 1 2 358.482 3.999 50 0 FHAALO CSc1ccc(C[N@@H+](C)[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)cc1 ZINC000012744928 210985473 /nfs/dbraw/zinc/98/54/73/210985473.db2.gz RDQRVGXLKRXNGU-LJQANCHMSA-N 1 2 358.482 3.999 50 0 FHAALO Cn1cc[nH+]c1[C@@H](NC(=O)Cc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000012559776 210969428 /nfs/dbraw/zinc/96/94/28/210969428.db2.gz RZLNSFUHAFDDKJ-SFHVURJKSA-N 1 2 357.816 3.661 50 0 FHAALO Cc1cc2[nH+]cn(C3=CC(=O)N(c4ccccc4Cl)C3=O)c2cc1C ZINC000001459455 210354533 /nfs/dbraw/zinc/35/45/33/210354533.db2.gz XAWYXNXQOTWAFA-UHFFFAOYSA-N 1 2 351.793 3.721 50 0 FHAALO O[C@]1(C(F)(F)F)CC(c2ccc3c(c2)Nc2ccccc2S3)=[NH+]N1 ZINC000001047185 210308177 /nfs/dbraw/zinc/30/81/77/210308177.db2.gz GBISDJXOQUYGBI-HNNXBMFYSA-N 1 2 351.353 3.843 50 0 FHAALO Cc1[nH+]c2ccccc2n1C[C@H](O)COc1ccc(Br)cc1 ZINC000000857469 210282732 /nfs/dbraw/zinc/28/27/32/210282732.db2.gz NMRYYCZBJPZFQD-AWEZNQCLSA-N 1 2 361.239 3.547 50 0 FHAALO CCN1CC[NH+]([C@@H](c2cccs2)[C@H](C)NC(=O)c2ccc(C)cc2)CC1 ZINC000022460104 220386671 /nfs/dbraw/zinc/38/66/71/220386671.db2.gz FYSSMAPBTFFJTD-FXAWDEMLSA-N 1 2 371.550 3.554 50 0 FHAALO Cc1ccc(C(=O)N[C@H](Nc2cccc[nH+]2)C(Cl)(Cl)Cl)cc1 ZINC000022608977 220390758 /nfs/dbraw/zinc/39/07/58/220390758.db2.gz PLGBNSMPCMPSLD-AWEZNQCLSA-N 1 2 358.656 3.928 50 0 FHAALO CC(C)CCn1c(COc2ccccc2)nnc1SCc1[nH+]ccn1C ZINC000059337858 221125347 /nfs/dbraw/zinc/12/53/47/221125347.db2.gz AADGTEWHHHSBFN-UHFFFAOYSA-N 1 2 371.510 3.929 50 0 FHAALO CC(C)c1cc([C@@H]2CCCN2C(=O)CCc2cn3ccccc3[nH+]2)no1 ZINC000065395395 221210793 /nfs/dbraw/zinc/21/07/93/221210793.db2.gz PJHRFBXFOOYTKC-KRWDZBQOSA-N 1 2 352.438 3.742 50 0 FHAALO CCCn1cc[nH+]c1[C@@H]1CC(=O)Nc2c1cnn2Cc1ccccc1Cl ZINC000065399213 221212108 /nfs/dbraw/zinc/21/21/08/221212108.db2.gz LPTGNZPWMKKTIM-CQSZACIVSA-N 1 2 369.856 3.665 50 0 FHAALO O[C@@H]1C[N@H+](Cc2c(Cl)nc3sccn23)CC[C@H]1c1ccc(F)cc1 ZINC000065396859 221211254 /nfs/dbraw/zinc/21/12/54/221211254.db2.gz PMNKCCQOKXUETM-DZGCQCFKSA-N 1 2 365.861 3.539 50 0 FHAALO O[C@@H]1C[N@@H+](Cc2c(Cl)nc3sccn23)CC[C@H]1c1ccc(F)cc1 ZINC000065396859 221211263 /nfs/dbraw/zinc/21/12/63/221211263.db2.gz PMNKCCQOKXUETM-DZGCQCFKSA-N 1 2 365.861 3.539 50 0 FHAALO CCc1[nH]c(C)c(-c2c(-c3ccccc3)ncn2C[C@@H](O)c2cccnc2)[nH+]1 ZINC000067654907 221267063 /nfs/dbraw/zinc/26/70/63/221267063.db2.gz PDZCBDWFCHYWHC-GOSISDBHSA-N 1 2 373.460 3.940 50 0 FHAALO CCc1noc([C@H]2CCC[N@@H+]2Cc2cnc3c(-c4ccccc4)cnn3c2)n1 ZINC000067724370 221276278 /nfs/dbraw/zinc/27/62/78/221276278.db2.gz NDFDJKYQYMLFEJ-GOSISDBHSA-N 1 2 374.448 3.679 50 0 FHAALO CCc1noc([C@H]2CCC[N@H+]2Cc2cnc3c(-c4ccccc4)cnn3c2)n1 ZINC000067724370 221276280 /nfs/dbraw/zinc/27/62/80/221276280.db2.gz NDFDJKYQYMLFEJ-GOSISDBHSA-N 1 2 374.448 3.679 50 0 FHAALO Cc1ccc(-c2cc(O)c3c(c2)CN(Cc2[nH+]ccn2C)CCO3)s1 ZINC000067678221 221271171 /nfs/dbraw/zinc/27/11/71/221271171.db2.gz OIIBHIBJTMJMLJ-UHFFFAOYSA-N 1 2 355.463 3.557 50 0 FHAALO Cc1[nH+]c2ccccc2n1Cc1cc(C(=O)N2CC[C@@H]2c2ccccc2)[nH]n1 ZINC000067756457 221282322 /nfs/dbraw/zinc/28/23/22/221282322.db2.gz DLOOWERPQMGDQX-HXUWFJFHSA-N 1 2 371.444 3.703 50 0 FHAALO Cc1ccc2cc(C[N@@H+]3CCn4cccc4[C@@H]3c3ccccn3)c(=O)[nH]c2c1 ZINC000067908548 221303627 /nfs/dbraw/zinc/30/36/27/221303627.db2.gz SDEPQUMVFSKEET-QFIPXVFZSA-N 1 2 370.456 3.638 50 0 FHAALO Cc1ccc2cc(C[N@H+]3CCn4cccc4[C@@H]3c3ccccn3)c(=O)[nH]c2c1 ZINC000067908548 221303630 /nfs/dbraw/zinc/30/36/30/221303630.db2.gz SDEPQUMVFSKEET-QFIPXVFZSA-N 1 2 370.456 3.638 50 0 FHAALO Clc1nc2sccn2c1C[N@@H+]1CCC[C@H](OCc2cccnc2)C1 ZINC000071589607 221352302 /nfs/dbraw/zinc/35/23/02/221352302.db2.gz ISVFFAGMVNWANB-AWEZNQCLSA-N 1 2 362.886 3.625 50 0 FHAALO Clc1nc2sccn2c1C[N@H+]1CCC[C@H](OCc2cccnc2)C1 ZINC000071589607 221352304 /nfs/dbraw/zinc/35/23/04/221352304.db2.gz ISVFFAGMVNWANB-AWEZNQCLSA-N 1 2 362.886 3.625 50 0 FHAALO CCCn1ccnc1[C@H]1c2[nH]c[nH+]c2CCN1Cc1ccnc2ccccc12 ZINC000071745583 221358019 /nfs/dbraw/zinc/35/80/19/221358019.db2.gz KSAWISXMEJFZCS-OAQYLSRUSA-N 1 2 372.476 3.712 50 0 FHAALO c1coc(-c2ncc(-c3nccn3CCc3[nH]c4ccccc4[nH+]3)cn2)c1 ZINC000071730263 221356177 /nfs/dbraw/zinc/35/61/77/221356177.db2.gz ADILZVSJBJZRTM-UHFFFAOYSA-N 1 2 356.389 3.719 50 0 FHAALO Fc1ccc(-c2nc(C[NH+]3CCN(c4ccccn4)CC3)cs2)cc1 ZINC000084610259 132198845 /nfs/dbraw/zinc/19/88/45/132198845.db2.gz XZBJIDPYNQGDNQ-UHFFFAOYSA-N 1 2 354.454 3.666 50 0 FHAALO Cc1cccc(NC(=O)Nc2c[nH+]c(N3CCCCC3)nc2N(C)C)c1C ZINC000096121412 132219412 /nfs/dbraw/zinc/21/94/12/132219412.db2.gz AUMSIZJZSMTENM-UHFFFAOYSA-N 1 2 368.485 3.794 50 0 FHAALO C[C@H](C(=O)Nc1ccc(F)cc1)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000096290232 132224736 /nfs/dbraw/zinc/22/47/36/132224736.db2.gz MNXDKBRQBJSCTA-CQSZACIVSA-N 1 2 361.848 3.628 50 0 FHAALO Cc1nn(C)c(Cl)c1C[NH+]1CCN(c2cc(Cl)ccc2C)CC1 ZINC000097027453 132227071 /nfs/dbraw/zinc/22/70/71/132227071.db2.gz 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CC(C)C[C@H](C(=O)Nc1ccc(C2CCCC2)cc1)[NH+]1CCN(C)CC1 ZINC000019802266 519293073 /nfs/dbraw/zinc/29/30/73/519293073.db2.gz PTDIHRDFLWQSHR-OAQYLSRUSA-N 1 2 357.542 3.945 50 0 FHAALO COc1c(C)c[nH+]c(CN(C)C(=O)c2ccc([C@H]3CCCO3)s2)c1C ZINC000091663540 521809878 /nfs/dbraw/zinc/80/98/78/521809878.db2.gz YWELMPQGXPXJFQ-OAHLLOKOSA-N 1 2 360.479 3.892 50 0 FHAALO CC[C@@H](Oc1ccccc1)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000020572929 523054488 /nfs/dbraw/zinc/05/44/88/523054488.db2.gz QFDRGUNGDNHZRT-RUCTVCJSSA-N 1 2 364.489 3.702 50 0 FHAALO CCn1c(C)cc(C(=O)N2CCC(c3[nH+]ccn3CC3CC3)CC2)c1C ZINC000082121987 523127547 /nfs/dbraw/zinc/12/75/47/523127547.db2.gz YUXLTGSGMANSGC-UHFFFAOYSA-N 1 2 354.498 3.751 50 0 FHAALO CCn1cc[nH+]c1[C@H]1CCCN(C(=O)Nc2ccc(OC)c(Cl)c2)C1 ZINC000091680631 523560020 /nfs/dbraw/zinc/56/00/20/523560020.db2.gz MLQDXFLORMJVAJ-ZDUSSCGKSA-N 1 2 362.861 3.977 50 0 FHAALO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)c1ccc2cccc(F)c2n1 ZINC000091504304 523596830 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O=C(c1cc2cc(F)ccc2s1)N1CC([N@H+]2CCc3sccc3C2)C1 ZINC000390828509 568273152 /nfs/dbraw/zinc/27/31/52/568273152.db2.gz RMJYBNBSSROPEY-UHFFFAOYSA-N 1 2 372.490 3.985 50 0 FHAALO Cc1ccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)[NH+]=C3N=CNN32)s1 ZINC000220976879 568376759 /nfs/dbraw/zinc/37/67/59/568376759.db2.gz PNQXZJVPJCEZOD-QGZVFWFLSA-N 1 2 365.462 3.537 50 0 FHAALO O=C(C[NH+]1CCN(c2ccc(Cl)cc2)CC1)c1c[nH]c2ccccc12 ZINC000034719966 570437768 /nfs/dbraw/zinc/43/77/68/570437768.db2.gz DOVRHSWHZOZZSN-UHFFFAOYSA-N 1 2 353.853 3.826 50 0 FHAALO CCc1ccccc1C(=O)N1CCC[C@@H](c2[nH+]ccn2Cc2cccnc2)C1 ZINC000091894096 570442073 /nfs/dbraw/zinc/44/20/73/570442073.db2.gz SCBMBKVAUXEHBS-HXUWFJFHSA-N 1 2 374.488 3.909 50 0 FHAALO C[NH+](C)[C@H](C(=O)NCC1(c2ccc(Cl)cc2)CC1)c1ccccc1F ZINC000091950572 570443084 /nfs/dbraw/zinc/44/30/84/570443084.db2.gz JVIHODWUWHMROS-SFHVURJKSA-N 1 2 360.860 3.930 50 0 FHAALO O=C(c1ccccn1)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccc(Cl)c(F)c2)C1 ZINC000092004502 570444925 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CC(C)C12CN3CC(C(C)C)(C[NH+](C1)C3c1cn(C)c3ccccc13)C2=O ZINC000019320178 220249934 /nfs/dbraw/zinc/24/99/34/220249934.db2.gz DCHHWWCDLKPIGJ-UHFFFAOYSA-N 1 2 365.521 3.676 50 0 FHAALO CC(=O)N1CCC[N@H+](Cc2csc(Nc3ccc(C)c(C)c3)n2)CC1 ZINC000023731728 211395450 /nfs/dbraw/zinc/39/54/50/211395450.db2.gz VNPWSKDDJRMJFV-UHFFFAOYSA-N 1 2 358.511 3.558 50 0 FHAALO CC(=O)N1CCC[N@@H+](Cc2csc(Nc3ccc(C)c(C)c3)n2)CC1 ZINC000023731728 211395454 /nfs/dbraw/zinc/39/54/54/211395454.db2.gz VNPWSKDDJRMJFV-UHFFFAOYSA-N 1 2 358.511 3.558 50 0 FHAALO Cc1cccc(O[C@@H](C)C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC000023675088 211394167 /nfs/dbraw/zinc/39/41/67/211394167.db2.gz IJVAPRGGIOXDJU-OEMHODTASA-N 1 2 364.489 3.620 50 0 FHAALO COc1ccc2c(c1)CCc1cc(C(=O)NCCCn3cc[nH+]c3)sc1-2 ZINC000023238500 211382701 /nfs/dbraw/zinc/38/27/01/211382701.db2.gz YGGCUGWOMOAUIN-UHFFFAOYSA-N 1 2 367.474 3.539 50 0 FHAALO C[C@H]1Oc2c(cccc2C(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@@H]1C ZINC000022696538 211360437 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FHAALO S=C(NC1CCCCC1)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000020385269 211276289 /nfs/dbraw/zinc/27/62/89/211276289.db2.gz JHMHDBYXKSTALK-UHFFFAOYSA-N 1 2 351.947 3.665 50 0 FHAALO O=C(c1ccc(Br)cc1)[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020264560 211272781 /nfs/dbraw/zinc/27/27/81/211272781.db2.gz GBENPFHLRCFAOS-GOSISDBHSA-N 1 2 374.278 3.748 50 0 FHAALO COc1ccc(C[NH+]2CCN(C/C=C/c3ccccc3)CC2)cc1OC ZINC000019358782 211218032 /nfs/dbraw/zinc/21/80/32/211218032.db2.gz FGJGILJHBCHLNT-RMKNXTFCSA-N 1 2 352.478 3.535 50 0 FHAALO C[C@@H](NC(=O)[C@H]1Cc2cc(Cl)ccc2O1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000018048784 211190046 /nfs/dbraw/zinc/19/00/46/211190046.db2.gz JPGAMBDDWMXFDL-BFUOFWGJSA-N 1 2 367.836 3.707 50 0 FHAALO Cc1ccc(-c2cc(C(=O)N3CC[NH+](C4CCCCC4)CC3)n[nH]2)cc1C ZINC000015679341 211137636 /nfs/dbraw/zinc/13/76/36/211137636.db2.gz XQBXPBHIMGLEMQ-UHFFFAOYSA-N 1 2 366.509 3.784 50 0 FHAALO Cc1ccc(-c2cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)[nH]n2)c(C)c1 ZINC000015679366 211137533 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COCc1ccc(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)cc1 ZINC000014141723 211078315 /nfs/dbraw/zinc/07/83/15/211078315.db2.gz HBLBQPBHGXFPPQ-CQSZACIVSA-N 1 2 359.495 3.774 50 0 FHAALO O=C(Nc1ccccc1)C1CC[NH+](Cc2nc(-c3cccs3)no2)CC1 ZINC000014022876 211070376 /nfs/dbraw/zinc/07/03/76/211070376.db2.gz UCPLSWANGBEGGX-UHFFFAOYSA-N 1 2 368.462 3.649 50 0 FHAALO C[N@H+](CCc1cn[nH]c1)Cc1nc(C(c2ccccc2)c2ccccc2)no1 ZINC000013596062 211042050 /nfs/dbraw/zinc/04/20/50/211042050.db2.gz WFFZWQSPPINCKJ-UHFFFAOYSA-N 1 2 373.460 3.647 50 0 FHAALO C[N@@H+](CCc1cn[nH]c1)Cc1nc(C(c2ccccc2)c2ccccc2)no1 ZINC000013596062 211042056 /nfs/dbraw/zinc/04/20/56/211042056.db2.gz WFFZWQSPPINCKJ-UHFFFAOYSA-N 1 2 373.460 3.647 50 0 FHAALO CC(C)[C@H](O)C1CC[NH+](Cc2nc(Cc3ccccc3Cl)no2)CC1 ZINC000013636931 211043657 /nfs/dbraw/zinc/04/36/57/211043657.db2.gz YOTATZLQAPYCGK-IBGZPJMESA-N 1 2 363.889 3.543 50 0 FHAALO Cc1ccc(N2C(=O)N(Cc3cn4cc(Cl)ccc4[nH+]3)C(=O)[C@@H]2C)cc1 ZINC000013059560 211021814 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CC(=O)Nc1ccc(/C=C/C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000012754636 210987553 /nfs/dbraw/zinc/98/75/53/210987553.db2.gz UUKCPQOHCIAAFT-SRXKAHCNSA-N 1 2 374.444 3.721 50 0 FHAALO Nc1nc(C[N@@H+]2CCC[C@H]2c2cccs2)nc(Nc2ccccc2)n1 ZINC000012554879 210968524 /nfs/dbraw/zinc/96/85/24/210968524.db2.gz DQNWKKZRAQJZEU-AWEZNQCLSA-N 1 2 352.467 3.596 50 0 FHAALO Nc1nc(C[N@H+]2CCC[C@H]2c2cccs2)nc(Nc2ccccc2)n1 ZINC000012554879 210968529 /nfs/dbraw/zinc/96/85/29/210968529.db2.gz DQNWKKZRAQJZEU-AWEZNQCLSA-N 1 2 352.467 3.596 50 0 FHAALO Cc1cccn2cc(-c3cccc(S(=O)(=O)N4CCC[C@@H](C)C4)c3)[nH+]c12 ZINC000002427258 210397744 /nfs/dbraw/zinc/39/77/44/210397744.db2.gz ZKPBWVADSYHLBU-OAHLLOKOSA-N 1 2 369.490 3.730 50 0 FHAALO CCCCn1c2ccccc2n(C[C@H](O)COc2ccc(Cl)cc2)c1=[NH2+] ZINC000019757741 220294831 /nfs/dbraw/zinc/29/48/31/220294831.db2.gz DXJYMDWCYWQLET-INIZCTEOSA-N 1 2 373.884 3.816 50 0 FHAALO COc1cc(C[NH+]2CCN(Cc3cccc(Cl)c3)CC2)cc(OC)c1 ZINC000019781646 220296140 /nfs/dbraw/zinc/29/61/40/220296140.db2.gz OKLLKDURFCTUKG-UHFFFAOYSA-N 1 2 360.885 3.675 50 0 FHAALO COc1cc(CN2CC[NH+](Cc3cccc(Cl)c3)CC2)cc(OC)c1 ZINC000019781646 220296144 /nfs/dbraw/zinc/29/61/44/220296144.db2.gz OKLLKDURFCTUKG-UHFFFAOYSA-N 1 2 360.885 3.675 50 0 FHAALO O=C(c1cccc(F)c1)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000019787501 220297055 /nfs/dbraw/zinc/29/70/55/220297055.db2.gz LIGSQNLZDSLOEO-UHFFFAOYSA-N 1 2 366.358 3.803 50 0 FHAALO CNC(=O)C1=C(C)Nc2[nH+]c3ccccc3n2[C@@H]1c1ccc(SC)cc1 ZINC000001431405 210352905 /nfs/dbraw/zinc/35/29/05/210352905.db2.gz RDSAPQLJGCNFQL-GOSISDBHSA-N 1 2 364.474 3.793 50 0 FHAALO Clc1ccc(Cn2ncc3c2nc[nH+]c3NCc2cccnc2)cc1 ZINC000001132280 210323244 /nfs/dbraw/zinc/32/32/44/210323244.db2.gz PTDOGUKLBPGEGZ-UHFFFAOYSA-N 1 2 350.813 3.535 50 0 FHAALO Cn1nc(C[N@@H+](Cc2ccccn2)C[C@H]2CCCO2)c2c1cccc2Cl ZINC000055242329 221063158 /nfs/dbraw/zinc/06/31/58/221063158.db2.gz DEDHAHSLQCYJJJ-MRXNPFEDSA-N 1 2 370.884 3.803 50 0 FHAALO Cn1nc(C[N@H+](Cc2ccccn2)C[C@H]2CCCO2)c2c1cccc2Cl ZINC000055242329 221063161 /nfs/dbraw/zinc/06/31/61/221063161.db2.gz DEDHAHSLQCYJJJ-MRXNPFEDSA-N 1 2 370.884 3.803 50 0 FHAALO Cc1nn(C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c(=O)c2ccccc12 ZINC000054466630 221053269 /nfs/dbraw/zinc/05/32/69/221053269.db2.gz CXIZVGZTZCTYOM-INIZCTEOSA-N 1 2 374.444 3.683 50 0 FHAALO Cc1nn(C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c(=O)c2ccccc12 ZINC000054466630 221053271 /nfs/dbraw/zinc/05/32/71/221053271.db2.gz CXIZVGZTZCTYOM-INIZCTEOSA-N 1 2 374.444 3.683 50 0 FHAALO CCCCN(C)C(=O)CCC1CCN(c2cc(NCCC)[nH+]cn2)CC1 ZINC000065274193 221193143 /nfs/dbraw/zinc/19/31/43/221193143.db2.gz FKKLDYKUOCWZKZ-UHFFFAOYSA-N 1 2 361.534 3.554 50 0 FHAALO CCCCN(C)C(=O)CCC1CCN(c2cc(NCCC)nc[nH+]2)CC1 ZINC000065274193 221193146 /nfs/dbraw/zinc/19/31/46/221193146.db2.gz FKKLDYKUOCWZKZ-UHFFFAOYSA-N 1 2 361.534 3.554 50 0 FHAALO CCCCc1ccc(-n2cc(C[NH2+][C@H](CC)c3ncnn3C)cn2)cc1 ZINC000065453738 221220891 /nfs/dbraw/zinc/22/08/91/221220891.db2.gz 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C[C@@H](O)c1cccc(N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)[nH+]1 ZINC000095372228 132208911 /nfs/dbraw/zinc/20/89/11/132208911.db2.gz DJYCZHTWPVIWHT-CYBMUJFWSA-N 1 2 366.383 3.642 50 0 FHAALO CCCSc1ccc(NC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000095519040 132213992 /nfs/dbraw/zinc/21/39/92/132213992.db2.gz WBCFIVAFLQMEKC-UHFFFAOYSA-N 1 2 356.495 3.938 50 0 FHAALO Cc1nc(N2CCSCC2)c(N)c(-c2ccc(Cl)c(Cl)c2)[nH+]1 ZINC000096282138 132224802 /nfs/dbraw/zinc/22/48/02/132224802.db2.gz RRAWWYLQLVIPNY-UHFFFAOYSA-N 1 2 355.294 3.894 50 0 FHAALO COc1ccccc1N1CC[NH+](Cc2cncn2C2CCCCC2)CC1 ZINC000244724132 132290405 /nfs/dbraw/zinc/29/04/05/132290405.db2.gz MODXMGDHPPNCDL-UHFFFAOYSA-N 1 2 354.498 3.719 50 0 FHAALO COc1ccccc1N1CCN(Cc2c[nH+]cn2C2CCCCC2)CC1 ZINC000244724132 132290406 /nfs/dbraw/zinc/29/04/06/132290406.db2.gz MODXMGDHPPNCDL-UHFFFAOYSA-N 1 2 354.498 3.719 50 0 FHAALO O=c1c(C[NH+]2CCN(c3ccc(F)cc3)CC2)coc2ccc(Cl)cc12 ZINC000055292172 136126393 /nfs/dbraw/zinc/12/63/93/136126393.db2.gz 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WRPIXISSONRIEY-QGZVFWFLSA-N 1 2 372.538 3.936 50 0 FHAALO CC(C)=CCN1C(=O)[C@H]2CC[C@@H]1C[N@@H+](Cc1c[nH]c(CC3CCCC3)n1)C2 ZINC000091410001 519426517 /nfs/dbraw/zinc/42/65/17/519426517.db2.gz SVRJDHXNAAEJTF-AZUAARDMSA-N 1 2 370.541 3.531 50 0 FHAALO CC(C)=CCN1C(=O)[C@H]2CC[C@@H]1C[N@H+](Cc1c[nH]c(CC3CCCC3)n1)C2 ZINC000091410001 519426523 /nfs/dbraw/zinc/42/65/23/519426523.db2.gz SVRJDHXNAAEJTF-AZUAARDMSA-N 1 2 370.541 3.531 50 0 FHAALO CC(C)n1cc[nH+]c1CN1C[C@](C)(Cc2ccc3c(c2)OCO3)CCC1=O ZINC000091321684 520030318 /nfs/dbraw/zinc/03/03/18/520030318.db2.gz ACJUUVPKORZILB-NRFANRHFSA-N 1 2 369.465 3.564 50 0 FHAALO c1ccc(Cn2nc(C[NH2+]Cc3ccccn3)c(-c3ccccc3)n2)cc1 ZINC000261492631 534493507 /nfs/dbraw/zinc/49/35/07/534493507.db2.gz VWWRCIBKAURXLI-UHFFFAOYSA-N 1 2 355.445 3.678 50 0 FHAALO CCCCOC(=O)Cn1c2ccccc2n(Cc2ccccc2C)c1=[NH2+] ZINC000020058042 520715581 /nfs/dbraw/zinc/71/55/81/520715581.db2.gz ONDLHVCNGXRIJG-UHFFFAOYSA-N 1 2 351.450 3.622 50 0 FHAALO CCOc1ccc(C(=O)Cn2cc(-c3ccc(C)c(C)c3)n(C)c2=[NH2+])cc1 ZINC000334157550 520888259 /nfs/dbraw/zinc/88/82/59/520888259.db2.gz KPCNNRZZESLJPE-UHFFFAOYSA-N 1 2 363.461 3.872 50 0 FHAALO CCCCn1cc[nH+]c1C1CCN(C(=O)c2cn3c(cccc3C)n2)CC1 ZINC000091476080 521393578 /nfs/dbraw/zinc/39/35/78/521393578.db2.gz QFRWMFZABYMUIU-UHFFFAOYSA-N 1 2 365.481 3.659 50 0 FHAALO CC[C@H](C)Oc1ccc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000019922560 521768949 /nfs/dbraw/zinc/76/89/49/521768949.db2.gz NTQLRWWGZMZTIV-KRWDZBQOSA-N 1 2 368.477 3.948 50 0 FHAALO CCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cc(-c3ccccc3)no2)C1 ZINC000091468520 523558734 /nfs/dbraw/zinc/55/87/34/523558734.db2.gz QGQWSRPYHUGLFD-INIZCTEOSA-N 1 2 350.422 3.578 50 0 FHAALO COc1ccc(C)cc1C(=O)N1CCC(c2[nH+]ccn2CC2CC2)CC1 ZINC000082116278 523800955 /nfs/dbraw/zinc/80/09/55/523800955.db2.gz FVTIKIDDBRLGBD-UHFFFAOYSA-N 1 2 353.466 3.630 50 0 FHAALO Cc1ccc(NC(=O)N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)c(C)c1 ZINC000089614076 525111309 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O=C(CSc1ccc(Cl)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019792573 527032576 /nfs/dbraw/zinc/03/25/76/527032576.db2.gz VNWFSFVZEVRPTH-UHFFFAOYSA-N 1 2 360.910 3.777 50 0 FHAALO O=C(Cn1cc[nH+]c1-c1ccccc1)NCc1nc(-c2ccccc2)cs1 ZINC000091665082 527393804 /nfs/dbraw/zinc/39/38/04/527393804.db2.gz UNOBYOBYUTWPKR-UHFFFAOYSA-N 1 2 374.469 3.990 50 0 FHAALO CCc1[nH]c2c(cc(C)cc2CNc2cc(N3CCOCC3)nc[nH+]2)c1C ZINC000071552126 535988039 /nfs/dbraw/zinc/98/80/39/535988039.db2.gz QRYYDENYVLYOGU-UHFFFAOYSA-N 1 2 365.481 3.586 50 0 FHAALO CCc1[nH]c2c(cc(C)cc2CNc2cc(N3CCOCC3)[nH+]cn2)c1C ZINC000071552126 535988046 /nfs/dbraw/zinc/98/80/46/535988046.db2.gz QRYYDENYVLYOGU-UHFFFAOYSA-N 1 2 365.481 3.586 50 0 FHAALO COc1ccc(Cl)cc1CN(C)C(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000097492611 536555697 /nfs/dbraw/zinc/55/56/97/536555697.db2.gz LRRDCAXPWKQPBO-OAHLLOKOSA-N 1 2 373.884 3.619 50 0 FHAALO COc1cc(Br)c(C[NH2+][C@@H](C)c2ccccn2)cc1OC ZINC000025359106 568546990 /nfs/dbraw/zinc/54/69/90/568546990.db2.gz 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ZINC000095353151 570452101 /nfs/dbraw/zinc/45/21/01/570452101.db2.gz YMVNGCOWICHFMY-SFHVURJKSA-N 1 2 366.509 3.769 50 0 FHAALO COc1cccc(F)c1C(=O)N1CCC[C@@H](c2[nH+]ccn2CC2CCC2)C1 ZINC000095389163 570460918 /nfs/dbraw/zinc/46/09/18/570460918.db2.gz APRMNDHJTIBJMT-MRXNPFEDSA-N 1 2 371.456 3.851 50 0 FHAALO Cc1cc2[nH+]cn([C@H]3CC(=O)N(c4ccc(Cl)cc4)C3=O)c2cc1C ZINC000095482837 570461760 /nfs/dbraw/zinc/46/17/60/570461760.db2.gz JUOVFVXZFDNQCY-KRWDZBQOSA-N 1 2 353.809 3.811 50 0 FHAALO Cc1ccc2nc(CCCNC(=O)[C@H](C)n3cc[nH+]c3C(C)C)[nH]c2c1C ZINC000095498408 570462434 /nfs/dbraw/zinc/46/24/34/570462434.db2.gz PPESEKVSYJKSSD-INIZCTEOSA-N 1 2 367.497 3.810 50 0 FHAALO O=C(Cc1ccc(F)cc1F)N1CCC[C@H](c2[nH+]ccn2CC2CC2)C1 ZINC000095526403 570468899 /nfs/dbraw/zinc/46/88/99/570468899.db2.gz WKWFWFXUCYFJTM-INIZCTEOSA-N 1 2 359.420 3.520 50 0 FHAALO Cn1cc[nH+]c1[C@H](NC(=O)c1cn(C)c2ccccc12)c1cccc(F)c1 ZINC000024015263 570548166 /nfs/dbraw/zinc/54/81/66/570548166.db2.gz OBVZTDJUFIKDJO-LJQANCHMSA-N 1 2 362.408 3.570 50 0 FHAALO O=c1c2ccccc2[nH]c(=S)n1CCC[N@@H+]1CCc2ccccc2C1 ZINC000003105239 570551551 /nfs/dbraw/zinc/55/15/51/570551551.db2.gz BKBSHKMZYFVOMW-UHFFFAOYSA-N 1 2 351.475 3.507 50 0 FHAALO O=c1c2ccccc2[nH]c(=S)n1CCC[N@H+]1CCc2ccccc2C1 ZINC000003105239 570551552 /nfs/dbraw/zinc/55/15/52/570551552.db2.gz BKBSHKMZYFVOMW-UHFFFAOYSA-N 1 2 351.475 3.507 50 0 FHAALO Cc1ccc(S(=O)(=O)N2C[C@@H]3c4ccccc4CC[N@@H+]3[C@@H]2C(C)C)cc1 ZINC000033730265 570580195 /nfs/dbraw/zinc/58/01/95/570580195.db2.gz MHMRVWRMLNTTDY-RTWAWAEBSA-N 1 2 370.518 3.581 50 0 FHAALO Cc1ccc(S(=O)(=O)N2C[C@@H]3c4ccccc4CC[N@H+]3[C@@H]2C(C)C)cc1 ZINC000033730265 570580198 /nfs/dbraw/zinc/58/01/98/570580198.db2.gz MHMRVWRMLNTTDY-RTWAWAEBSA-N 1 2 370.518 3.581 50 0 FHAALO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1nc2cc(Cl)ccc2n1C ZINC000248098864 570597257 /nfs/dbraw/zinc/59/72/57/570597257.db2.gz ZRZKWKVYJSKZPY-VMGRFDJRSA-N 1 2 361.873 3.533 50 0 FHAALO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1nc2cc(Cl)ccc2n1C ZINC000248098864 570597263 /nfs/dbraw/zinc/59/72/63/570597263.db2.gz ZRZKWKVYJSKZPY-VMGRFDJRSA-N 1 2 361.873 3.533 50 0 FHAALO O=C(C[NH+]1CCCCC1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000004811867 570608011 /nfs/dbraw/zinc/60/80/11/570608011.db2.gz AGHCYBDSJMYTAM-UHFFFAOYSA-N 1 2 356.853 3.995 50 0 FHAALO O=C(NC[C@@H](c1ccco1)[N@@H+]1CCc2ccccc2C1)c1ccc(F)cc1 ZINC000022906949 570697579 /nfs/dbraw/zinc/69/75/79/570697579.db2.gz JIBWGGLLGWGOTJ-FQEVSTJZSA-N 1 2 364.420 3.948 50 0 FHAALO O=C(NC[C@@H](c1ccco1)[N@H+]1CCc2ccccc2C1)c1ccc(F)cc1 ZINC000022906949 570697580 /nfs/dbraw/zinc/69/75/80/570697580.db2.gz JIBWGGLLGWGOTJ-FQEVSTJZSA-N 1 2 364.420 3.948 50 0 FHAALO O=C(NC[C@@H](c1ccco1)[N@@H+]1CCc2ccccc2C1)c1cccs1 ZINC000022906957 570698169 /nfs/dbraw/zinc/69/81/69/570698169.db2.gz WZMVFSRENWLYNC-KRWDZBQOSA-N 1 2 352.459 3.871 50 0 FHAALO O=C(NC[C@@H](c1ccco1)[N@H+]1CCc2ccccc2C1)c1cccs1 ZINC000022906957 570698171 /nfs/dbraw/zinc/69/81/71/570698171.db2.gz WZMVFSRENWLYNC-KRWDZBQOSA-N 1 2 352.459 3.871 50 0 FHAALO Cc1cc(Cl)ccc1C(=O)[C@@H]1CCCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000011664534 570704827 /nfs/dbraw/zinc/70/48/27/570704827.db2.gz FEKTUUPORFZGET-HZRUHFOJSA-N 1 2 357.841 3.506 50 0 FHAALO O=C(c1ccccc1-c1[nH]cc[nH+]1)N1CCC[C@@H](Nc2ccc(F)cc2)C1 ZINC000012307146 570734980 /nfs/dbraw/zinc/73/49/80/570734980.db2.gz LIPBERREXUXBRN-QGZVFWFLSA-N 1 2 364.424 3.933 50 0 FHAALO Cn1cc[nH+]c1CNC(=O)C[C@H](c1cccc(O)c1)c1cccc(Cl)c1 ZINC000012316287 570736234 /nfs/dbraw/zinc/73/62/34/570736234.db2.gz XQEJHHYPOXEQFD-SFHVURJKSA-N 1 2 369.852 3.618 50 0 FHAALO O=C(CCC(=O)c1ccccc1)N[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000012438593 570745650 /nfs/dbraw/zinc/74/56/50/570745650.db2.gz BCPWKFKSUGCSLC-IBGZPJMESA-N 1 2 368.452 3.569 50 0 FHAALO O=C(CCC(=O)c1ccccc1)N[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000012438593 570745653 /nfs/dbraw/zinc/74/56/53/570745653.db2.gz BCPWKFKSUGCSLC-IBGZPJMESA-N 1 2 368.452 3.569 50 0 FHAALO O=C1C[C@H]([N@H+]2CC=C(c3ccccc3)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000012628107 570754304 /nfs/dbraw/zinc/75/43/04/570754304.db2.gz YMZSXJDFSWNZTP-IBGZPJMESA-N 1 2 366.848 3.761 50 0 FHAALO O=C1C[C@H]([N@@H+]2CC=C(c3ccccc3)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000012628107 570754305 /nfs/dbraw/zinc/75/43/05/570754305.db2.gz YMZSXJDFSWNZTP-IBGZPJMESA-N 1 2 366.848 3.761 50 0 FHAALO C[N@@H+](Cc1nc(Cc2cccc(C(F)(F)F)c2)no1)C[C@@H]1CCCCO1 ZINC000012705205 570757443 /nfs/dbraw/zinc/75/74/43/570757443.db2.gz YCSGAUSPLCXJPG-HNNXBMFYSA-N 1 2 369.387 3.680 50 0 FHAALO C[N@H+](Cc1nc(Cc2cccc(C(F)(F)F)c2)no1)C[C@@H]1CCCCO1 ZINC000012705205 570757446 /nfs/dbraw/zinc/75/74/46/570757446.db2.gz YCSGAUSPLCXJPG-HNNXBMFYSA-N 1 2 369.387 3.680 50 0 FHAALO CCN1C[C@H](C[N@H+](C)Cc2nc(-c3cccs3)no2)Oc2ccccc21 ZINC000032797331 570804258 /nfs/dbraw/zinc/80/42/58/570804258.db2.gz CAVOWADEKOAKRX-AWEZNQCLSA-N 1 2 370.478 3.517 50 0 FHAALO CCN1C[C@H](C[N@@H+](C)Cc2nc(-c3cccs3)no2)Oc2ccccc21 ZINC000032797331 570804259 /nfs/dbraw/zinc/80/42/59/570804259.db2.gz CAVOWADEKOAKRX-AWEZNQCLSA-N 1 2 370.478 3.517 50 0 FHAALO COc1ccccc1NC(=O)[C@H](C)[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000032851108 570821756 /nfs/dbraw/zinc/82/17/56/570821756.db2.gz FGTHAJYVNUJOCH-HNNXBMFYSA-N 1 2 352.434 3.517 50 0 FHAALO COc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000032851108 570821758 /nfs/dbraw/zinc/82/17/58/570821758.db2.gz FGTHAJYVNUJOCH-HNNXBMFYSA-N 1 2 352.434 3.517 50 0 FHAALO COc1ccccc1NC(=O)[C@@H](C)[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000032851107 570821778 /nfs/dbraw/zinc/82/17/78/570821778.db2.gz FGTHAJYVNUJOCH-OAHLLOKOSA-N 1 2 352.434 3.517 50 0 FHAALO COc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000032851107 570821779 /nfs/dbraw/zinc/82/17/79/570821779.db2.gz FGTHAJYVNUJOCH-OAHLLOKOSA-N 1 2 352.434 3.517 50 0 FHAALO CCC[N@@H+](Cc1ccc(C)cc1)Cn1nc(-c2ccc(F)cc2)oc1=O ZINC000032932597 570872109 /nfs/dbraw/zinc/87/21/09/570872109.db2.gz LHEYOADIKHSRLO-UHFFFAOYSA-N 1 2 355.413 3.821 50 0 FHAALO CCC[N@H+](Cc1ccc(C)cc1)Cn1nc(-c2ccc(F)cc2)oc1=O ZINC000032932597 570872113 /nfs/dbraw/zinc/87/21/13/570872113.db2.gz LHEYOADIKHSRLO-UHFFFAOYSA-N 1 2 355.413 3.821 50 0 FHAALO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N(C)Cc2ccco2)C[C@H](C)O1 ZINC000047569483 570892380 /nfs/dbraw/zinc/89/23/80/570892380.db2.gz CDTABBDMUZXIPL-IYBDPMFKSA-N 1 2 357.454 3.553 50 0 FHAALO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N(C)Cc2ccco2)C[C@H](C)O1 ZINC000047569483 570892383 /nfs/dbraw/zinc/89/23/83/570892383.db2.gz CDTABBDMUZXIPL-IYBDPMFKSA-N 1 2 357.454 3.553 50 0 FHAALO C[C@H]1C[NH+](Cc2ccccc2NC(=O)N(C)Cc2ccco2)C[C@H](C)O1 ZINC000047569485 570892402 /nfs/dbraw/zinc/89/24/02/570892402.db2.gz CDTABBDMUZXIPL-HOTGVXAUSA-N 1 2 357.454 3.553 50 0 FHAALO Clc1ccccc1-c1nc(C[NH+]2CCN(c3ncccn3)CC2)cs1 ZINC000020508370 570919061 /nfs/dbraw/zinc/91/90/61/570919061.db2.gz BETTXXOYJZPHMX-UHFFFAOYSA-N 1 2 371.897 3.576 50 0 FHAALO COc1ccc(CC[N@H+](C)Cc2noc(-c3cccc(C)c3)n2)cc1OC ZINC000046055677 570922903 /nfs/dbraw/zinc/92/29/03/570922903.db2.gz PHBWGDGREMRJAM-UHFFFAOYSA-N 1 2 367.449 3.737 50 0 FHAALO COc1ccc(CC[N@@H+](C)Cc2noc(-c3cccc(C)c3)n2)cc1OC ZINC000046055677 570922905 /nfs/dbraw/zinc/92/29/05/570922905.db2.gz PHBWGDGREMRJAM-UHFFFAOYSA-N 1 2 367.449 3.737 50 0 FHAALO Cc1cccc(C)c1-n1nnnc1C1([NH2+]Cc2ccco2)CCCCC1 ZINC000046078072 570925275 /nfs/dbraw/zinc/92/52/75/570925275.db2.gz YUMLPUADXUYMGI-UHFFFAOYSA-N 1 2 351.454 3.821 50 0 FHAALO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1cccc(OCc2cccc(F)c2)c1 ZINC000048162724 570934927 /nfs/dbraw/zinc/93/49/27/570934927.db2.gz DSHOEKKLJYRHTF-OAHLLOKOSA-N 1 2 368.412 3.811 50 0 FHAALO Cc1ccc(C(=O)CCC(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2)s1 ZINC000048234941 570937734 /nfs/dbraw/zinc/93/77/34/570937734.db2.gz DYAXFRZBCIZGLM-LJQANCHMSA-N 1 2 367.474 3.659 50 0 FHAALO COc1ccccc1[C@@H](NC(=O)c1ccccc1Cl)c1[nH+]ccn1C ZINC000048302447 570944934 /nfs/dbraw/zinc/94/49/34/570944934.db2.gz RUDOYNDIJFWDDK-QGZVFWFLSA-N 1 2 355.825 3.602 50 0 FHAALO Cn1cc[nH+]c1[C@H](NC(=O)/C=C/c1c(F)cccc1F)c1cccc(F)c1 ZINC000049617656 570964711 /nfs/dbraw/zinc/96/47/11/570964711.db2.gz DAXDMSVEDFKDQN-CSHXORCISA-N 1 2 371.362 3.756 50 0 FHAALO COc1ccc(C[NH+]2CCN(c3ncc(Cl)cc3Cl)CC2)cc1F ZINC000023718691 570967074 /nfs/dbraw/zinc/96/70/74/570967074.db2.gz HKNMVPQBXXQRHL-UHFFFAOYSA-N 1 2 370.255 3.858 50 0 FHAALO Clc1ccc(-c2cnc(C[NH+]3CCN(c4ccccn4)CC3)o2)cc1 ZINC000023818533 570968018 /nfs/dbraw/zinc/96/80/18/570968018.db2.gz RHIYCAVAWQQZTP-UHFFFAOYSA-N 1 2 354.841 3.712 50 0 FHAALO CC(=O)CCc1ccc(OC[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)cc1 ZINC000024097752 570971818 /nfs/dbraw/zinc/97/18/18/570971818.db2.gz TTYMZKZJHNRBCH-LJQANCHMSA-N 1 2 366.461 3.615 50 0 FHAALO C[C@@H](NC(=S)Nc1ccc(F)cc1)[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000025514839 570996900 /nfs/dbraw/zinc/99/69/00/570996900.db2.gz KCXCDPAATICFIF-BEFAXECRSA-N 1 2 373.497 3.574 50 0 FHAALO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccccc1)c1ccccc1Cl ZINC000025873733 571001087 /nfs/dbraw/zinc/00/10/87/571001087.db2.gz VPHCIPXCFYMMAN-SFHVURJKSA-N 1 2 366.914 3.701 50 0 FHAALO 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/nfs/dbraw/zinc/37/98/33/211379833.db2.gz NLEQNOIZVXQNKO-SFHVURJKSA-N 1 2 361.493 3.966 50 0 FHAALO Cc1cnc(C)c(-c2cccc(-c3ccn(C[C@H]4CCC[N@H+](C)C4)n3)c2)n1 ZINC000023231337 211379839 /nfs/dbraw/zinc/37/98/39/211379839.db2.gz NLEQNOIZVXQNKO-SFHVURJKSA-N 1 2 361.493 3.966 50 0 FHAALO CC(C)Oc1ccc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000022267147 211345359 /nfs/dbraw/zinc/34/53/59/211345359.db2.gz JKWVKRRXPCOCHP-UHFFFAOYSA-N 1 2 354.450 3.558 50 0 FHAALO O=C(Nc1sc2c(c1C[NH+]1CCOCC1)CCCC2)c1ccccc1 ZINC000021486927 211314883 /nfs/dbraw/zinc/31/48/83/211314883.db2.gz BIRXJZGKUSDXSA-UHFFFAOYSA-N 1 2 356.491 3.711 50 0 FHAALO O=C(N[C@H]1CCCc2ccccc21)[C@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000021159101 211309811 /nfs/dbraw/zinc/30/98/11/211309811.db2.gz JZWGKLKZCYSDHJ-HKUYNNGSSA-N 1 2 374.488 3.973 50 0 FHAALO COc1ccc(OC)c(-c2n[nH]cc2C[N@@H+]2CCC[C@H]2c2cc(C)on2)c1 ZINC000021720033 211322069 /nfs/dbraw/zinc/32/20/69/211322069.db2.gz ZWICUUPKIMYHDU-SFHVURJKSA-N 1 2 368.437 3.727 50 0 FHAALO COc1ccc(OC)c(-c2n[nH]cc2C[N@H+]2CCC[C@H]2c2cc(C)on2)c1 ZINC000021720033 211322073 /nfs/dbraw/zinc/32/20/73/211322073.db2.gz ZWICUUPKIMYHDU-SFHVURJKSA-N 1 2 368.437 3.727 50 0 FHAALO Cc1cc(C)n(-c2cc(NCc3ccc(Br)cc3)[nH+]cn2)n1 ZINC000021713521 211321653 /nfs/dbraw/zinc/32/16/53/211321653.db2.gz IHYUHMCMZKVBGM-UHFFFAOYSA-N 1 2 358.243 3.654 50 0 FHAALO O=C(Nc1ccc(Cl)c(Cl)c1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000020544018 211284945 /nfs/dbraw/zinc/28/49/45/211284945.db2.gz IFQVBNLPLUNESO-UHFFFAOYSA-N 1 2 365.264 3.738 50 0 FHAALO CCCCCn1c2ccccc2n(C[C@H](O)COc2cccc(C)c2)c1=[NH2+] ZINC000020292809 211273282 /nfs/dbraw/zinc/27/32/82/211273282.db2.gz FZFXKVXUQPPZJU-SFHVURJKSA-N 1 2 367.493 3.861 50 0 FHAALO Cc1c2cc(C)ccc2oc1C(=O)N1CC[NH+](Cc2ncccc2C)CC1 ZINC000019794890 211255384 /nfs/dbraw/zinc/25/53/84/211255384.db2.gz MEEKQABNPVEYMV-UHFFFAOYSA-N 1 2 363.461 3.711 50 0 FHAALO Cn1cc(C[N@@H+]2CCO[C@H](CC(c3ccccc3)c3ccccc3)C2)cn1 ZINC000019607909 211241383 /nfs/dbraw/zinc/24/13/83/211241383.db2.gz CYGYNVGFBPXHBL-JOCHJYFZSA-N 1 2 361.489 3.843 50 0 FHAALO Cn1cc(C[N@H+]2CCO[C@H](CC(c3ccccc3)c3ccccc3)C2)cn1 ZINC000019607909 211241387 /nfs/dbraw/zinc/24/13/87/211241387.db2.gz CYGYNVGFBPXHBL-JOCHJYFZSA-N 1 2 361.489 3.843 50 0 FHAALO Cc1nc(C)c(C(=O)NCc2ccc[nH+]c2N(C)Cc2ccccc2)s1 ZINC000019227566 211210279 /nfs/dbraw/zinc/21/02/79/211210279.db2.gz HDHLCZSYBMQHGZ-UHFFFAOYSA-N 1 2 366.490 3.721 50 0 FHAALO COc1cccc(C[NH+]2CCN(Cc3ccccc3Cl)CC2)c1OC ZINC000019360215 211217745 /nfs/dbraw/zinc/21/77/45/211217745.db2.gz JTFYIPUNWXDDAA-UHFFFAOYSA-N 1 2 360.885 3.675 50 0 FHAALO COc1cccc(CN2CC[NH+](Cc3ccccc3Cl)CC2)c1OC ZINC000019360215 211217750 /nfs/dbraw/zinc/21/77/50/211217750.db2.gz JTFYIPUNWXDDAA-UHFFFAOYSA-N 1 2 360.885 3.675 50 0 FHAALO C[C@H](NC(=O)c1ccc2c(c1)OCCCO2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000018048493 211189973 /nfs/dbraw/zinc/18/99/73/211189973.db2.gz VGGWGHAGSAAUBJ-HNNXBMFYSA-N 1 2 363.417 3.525 50 0 FHAALO C[C@@H](C(=O)NCc1cccs1)[N@H+](C)Cc1ccccc1Br ZINC000016388663 211161925 /nfs/dbraw/zinc/16/19/25/211161925.db2.gz NKHBARCGZHHUNB-LBPRGKRZSA-N 1 2 367.312 3.647 50 0 FHAALO C[C@@H](C(=O)NCc1cccs1)[N@@H+](C)Cc1ccccc1Br ZINC000016388663 211161927 /nfs/dbraw/zinc/16/19/27/211161927.db2.gz NKHBARCGZHHUNB-LBPRGKRZSA-N 1 2 367.312 3.647 50 0 FHAALO CCc1noc(C)c1C(=O)NCc1ccc[nH+]c1N1CCCCCCC1 ZINC000015066552 211116914 /nfs/dbraw/zinc/11/69/14/211116914.db2.gz ANJLQPSFQFXOEG-UHFFFAOYSA-N 1 2 356.470 3.641 50 0 FHAALO O=C(c1ccccc1)[C@H]1CCC[N@H+](Cc2nc(-c3cccs3)no2)C1 ZINC000014965677 211108116 /nfs/dbraw/zinc/10/81/16/211108116.db2.gz VPOMALITQQKKSH-HNNXBMFYSA-N 1 2 353.447 3.893 50 0 FHAALO O=C(c1ccccc1)[C@H]1CCC[N@@H+](Cc2nc(-c3cccs3)no2)C1 ZINC000014965677 211108119 /nfs/dbraw/zinc/10/81/19/211108119.db2.gz VPOMALITQQKKSH-HNNXBMFYSA-N 1 2 353.447 3.893 50 0 FHAALO C[C@H](NC(=O)c1ccc(C[NH+]2CCOCC2)cc1)c1ccc(Cl)cc1 ZINC000014140492 211076334 /nfs/dbraw/zinc/07/63/34/211076334.db2.gz CJZGGAWUGSRABN-HNNXBMFYSA-N 1 2 358.869 3.663 50 0 FHAALO C[C@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000014110447 211073327 /nfs/dbraw/zinc/07/33/27/211073327.db2.gz UGPNIHJTMPAAGK-OAHLLOKOSA-N 1 2 361.445 3.579 50 0 FHAALO COc1ccc([C@@H]2CCC[N@@H+]2Cc2nc3cc(Cl)ccc3c(=O)[nH]2)cc1 ZINC000014093698 211071126 /nfs/dbraw/zinc/07/11/26/211071126.db2.gz DOOHWLOWSNVUSE-SFHVURJKSA-N 1 2 369.852 3.922 50 0 FHAALO COc1ccc([C@@H]2CCC[N@H+]2Cc2nc3cc(Cl)ccc3c(=O)[nH]2)cc1 ZINC000014093698 211071128 /nfs/dbraw/zinc/07/11/28/211071128.db2.gz DOOHWLOWSNVUSE-SFHVURJKSA-N 1 2 369.852 3.922 50 0 FHAALO Fc1ccc(NC(=S)N2CC[NH+](C/C=C/c3ccccc3)CC2)c(F)c1 ZINC000013519845 211038002 /nfs/dbraw/zinc/03/80/02/211038002.db2.gz LGFYBWSZKHBLEG-QPJJXVBHSA-N 1 2 373.472 3.993 50 0 FHAALO COc1ccc(CCC2CC[NH+](Cn3nc(C)n(C)c3=S)CC2)cc1 ZINC000012944612 211009985 /nfs/dbraw/zinc/00/99/85/211009985.db2.gz NVMKWEMTBSEFSH-UHFFFAOYSA-N 1 2 360.527 3.570 50 0 FHAALO COc1ccc(OC)c([C@H](C)NC(=O)C[N@@H+]2CCc3sccc3[C@@H]2C)c1 ZINC000012912868 211007299 /nfs/dbraw/zinc/00/72/99/211007299.db2.gz ICFAJLMCRGTFSB-KBPBESRZSA-N 1 2 374.506 3.562 50 0 FHAALO COc1ccc(OC)c([C@H](C)NC(=O)C[N@H+]2CCc3sccc3[C@@H]2C)c1 ZINC000012912868 211007305 /nfs/dbraw/zinc/00/73/05/211007305.db2.gz ICFAJLMCRGTFSB-KBPBESRZSA-N 1 2 374.506 3.562 50 0 FHAALO Cc1[nH]c2ccccc2c1[C@@H](c1ccc2c(c1)OCO2)[NH+]1CCOCC1 ZINC000019864037 220303507 /nfs/dbraw/zinc/30/35/07/220303507.db2.gz RXUOIZFETKHGBQ-OAQYLSRUSA-N 1 2 350.418 3.627 50 0 FHAALO CCOCCCNc1[nH+]cnc2c1cnn2-c1ccc(Cl)c(Cl)c1 ZINC000010386630 210368864 /nfs/dbraw/zinc/36/88/64/210368864.db2.gz HMNNZNGGLULRKA-UHFFFAOYSA-N 1 2 366.252 3.961 50 0 FHAALO CCc1ccc(C(=O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@H+]2C)cc1 ZINC000020112741 220311795 /nfs/dbraw/zinc/31/17/95/220311795.db2.gz PFVHWLQZPXIAEQ-QGZVFWFLSA-N 1 2 367.445 3.788 50 0 FHAALO CCc1ccc(C(=O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)cc1 ZINC000020112741 220311796 /nfs/dbraw/zinc/31/17/96/220311796.db2.gz PFVHWLQZPXIAEQ-QGZVFWFLSA-N 1 2 367.445 3.788 50 0 FHAALO CCOC(=O)c1c(NC(=O)CC)sc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000020356076 220323470 /nfs/dbraw/zinc/32/34/70/220323470.db2.gz KCBYZKLDQOWSAV-UHFFFAOYSA-N 1 2 372.490 3.832 50 0 FHAALO CCOC(=O)c1c(NC(=O)CC)sc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000020356076 220323474 /nfs/dbraw/zinc/32/34/74/220323474.db2.gz KCBYZKLDQOWSAV-UHFFFAOYSA-N 1 2 372.490 3.832 50 0 FHAALO Cn1cc[nH+]c1[C@@H](NC(=O)/C=C/c1ccc(F)cc1)c1cccc(F)c1 ZINC000009335944 210270570 /nfs/dbraw/zinc/27/05/70/210270570.db2.gz QFNYEYOYFXXCMQ-VQFGERMISA-N 1 2 353.372 3.617 50 0 FHAALO CCCNc1cc(N2CCC(CCC(=O)NC3CCCCC3)CC2)nc[nH+]1 ZINC000065274098 221193914 /nfs/dbraw/zinc/19/39/14/221193914.db2.gz AYNWSRQLEBDZIP-UHFFFAOYSA-N 1 2 373.545 3.744 50 0 FHAALO CCCNc1cc(N2CCC(CCC(=O)NC3CCCCC3)CC2)[nH+]cn1 ZINC000065274098 221193916 /nfs/dbraw/zinc/19/39/16/221193916.db2.gz AYNWSRQLEBDZIP-UHFFFAOYSA-N 1 2 373.545 3.744 50 0 FHAALO Cc1cc(C)n(CCc2c(-c3ccccc3)[nH+]cn2C[C@H]2CCCO2)n1 ZINC000065373896 221205294 /nfs/dbraw/zinc/20/52/94/221205294.db2.gz ODGLOTYVBGHEOK-LJQANCHMSA-N 1 2 350.466 3.785 50 0 FHAALO Cc1cc(C)c2oc(=O)cc(C[NH2+]Cc3nncn3C3CCCCC3)c2c1 ZINC000065419112 221216304 /nfs/dbraw/zinc/21/63/04/221216304.db2.gz QUHLAIJLUXXMGQ-UHFFFAOYSA-N 1 2 366.465 3.796 50 0 FHAALO CCC(=O)NCCn1c[nH+]c(-c2ccccc2)c1[C@H]1CCOC(C)(C)C1 ZINC000065460827 221221998 /nfs/dbraw/zinc/22/19/98/221221998.db2.gz QXSLNGVSTWOZRC-KRWDZBQOSA-N 1 2 355.482 3.749 50 0 FHAALO Cc1[nH+]c2ccccc2n1CCc1nc(C2CC2)nn1-c1ncccc1C ZINC000065465115 221222904 /nfs/dbraw/zinc/22/29/04/221222904.db2.gz LXFGERFYBUDGHL-UHFFFAOYSA-N 1 2 358.449 3.749 50 0 FHAALO CCc1nccc(CN2CCc3[nH+]c[nH]c3[C@H]2c2ccc(Cl)s2)n1 ZINC000067446778 221254501 /nfs/dbraw/zinc/25/45/01/221254501.db2.gz ZZQGTSVGLYLJCQ-QGZVFWFLSA-N 1 2 359.886 3.625 50 0 FHAALO COc1cc(-c2ccc(C)s2)cc2c1OCCN(Cc1[nH]cc[nH+]1)C2 ZINC000067654370 221266718 /nfs/dbraw/zinc/26/67/18/221266718.db2.gz PGLPNNQZFLMUQO-UHFFFAOYSA-N 1 2 355.463 3.850 50 0 FHAALO Cc1[nH+]c2ccccc2n1Cc1cc(C(=O)N(C)[C@@H](C)c2ccco2)[nH]n1 ZINC000067641835 221264639 /nfs/dbraw/zinc/26/46/39/221264639.db2.gz CGUOVKXBCRAQFJ-ZDUSSCGKSA-N 1 2 363.421 3.542 50 0 FHAALO CN(CCc1ccccc1)C(=O)c1cc(C[N@H+](C)Cc2ccccc2)on1 ZINC000067642819 221264675 /nfs/dbraw/zinc/26/46/75/221264675.db2.gz CGKQULUNIFIVQI-UHFFFAOYSA-N 1 2 363.461 3.621 50 0 FHAALO CN(CCc1ccccc1)C(=O)c1cc(C[N@@H+](C)Cc2ccccc2)on1 ZINC000067642819 221264680 /nfs/dbraw/zinc/26/46/80/221264680.db2.gz CGKQULUNIFIVQI-UHFFFAOYSA-N 1 2 363.461 3.621 50 0 FHAALO CSc1nccc(NCc2ccc[nH+]c2N2CCc3ccccc3C2)n1 ZINC000067727005 221278279 /nfs/dbraw/zinc/27/82/79/221278279.db2.gz IHOBNAPZBZXKLM-UHFFFAOYSA-N 1 2 363.490 3.768 50 0 FHAALO COC[C@H](c1ccccn1)[N@H+](C)Cc1cnc2c(-c3ccccc3)cnn2c1 ZINC000067741824 221278476 /nfs/dbraw/zinc/27/84/76/221278476.db2.gz CCFMWHNHTZZVHY-OAQYLSRUSA-N 1 2 373.460 3.611 50 0 FHAALO COC[C@H](c1ccccn1)[N@@H+](C)Cc1cnc2c(-c3ccccc3)cnn2c1 ZINC000067741824 221278479 /nfs/dbraw/zinc/27/84/79/221278479.db2.gz CCFMWHNHTZZVHY-OAQYLSRUSA-N 1 2 373.460 3.611 50 0 FHAALO COc1ccc(-c2n[nH]cc2C[NH2+]Cc2nc3ccc(C)c(C)c3[nH]2)cc1 ZINC000067739993 221278830 /nfs/dbraw/zinc/27/88/30/221278830.db2.gz WYUNPXQHMVFGTK-UHFFFAOYSA-N 1 2 361.449 3.868 50 0 FHAALO Cc1[nH+]ccn1[C@H](C)C(=O)N1CCC(c2[nH]ncc2-c2ccccc2)CC1 ZINC000067754396 221280388 /nfs/dbraw/zinc/28/03/88/221280388.db2.gz YGMXYNIVXCCQQZ-OAHLLOKOSA-N 1 2 363.465 3.549 50 0 FHAALO CC(C)c1cc(C2CCN(C(=O)[C@H](C)n3cc[nH+]c3C(C)C)CC2)n[nH]1 ZINC000067758215 221281546 /nfs/dbraw/zinc/28/15/46/221281546.db2.gz ZKKPPANFANPSQJ-HNNXBMFYSA-N 1 2 357.502 3.820 50 0 FHAALO O=C(Nc1cnns1)c1cccc(C[N@@H+]2CCC[C@H]2c2nccs2)c1 ZINC000067867522 221297061 /nfs/dbraw/zinc/29/70/61/221297061.db2.gz DOWGNMDTEBVEIX-AWEZNQCLSA-N 1 2 371.491 3.584 50 0 FHAALO O=C(Nc1cnns1)c1cccc(C[N@H+]2CCC[C@H]2c2nccs2)c1 ZINC000067867522 221297065 /nfs/dbraw/zinc/29/70/65/221297065.db2.gz DOWGNMDTEBVEIX-AWEZNQCLSA-N 1 2 371.491 3.584 50 0 FHAALO CSCCc1c(-c2ccccc2)[nH+]cn1Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000067954465 221307464 /nfs/dbraw/zinc/30/74/64/221307464.db2.gz OFFHBMUWWYQDJL-UHFFFAOYSA-N 1 2 364.474 3.674 50 0 FHAALO CCc1nccc(CN2CCc3[nH+]c[nH]c3[C@@H]2c2ccc(SC)cc2)n1 ZINC000071278933 221336806 /nfs/dbraw/zinc/33/68/06/221336806.db2.gz NEGWFSOWKNJSHR-FQEVSTJZSA-N 1 2 365.506 3.632 50 0 FHAALO CCn1ncc(C[N@@H+]2CCO[C@@H](c3ccc4cc(OC)ccc4c3)C2)c1C ZINC000071614584 221352024 /nfs/dbraw/zinc/35/20/24/221352024.db2.gz ABZZUDSFYKSUSD-JOCHJYFZSA-N 1 2 365.477 3.947 50 0 FHAALO CCn1ncc(C[N@H+]2CCO[C@@H](c3ccc4cc(OC)ccc4c3)C2)c1C ZINC000071614584 221352028 /nfs/dbraw/zinc/35/20/28/221352028.db2.gz ABZZUDSFYKSUSD-JOCHJYFZSA-N 1 2 365.477 3.947 50 0 FHAALO Cc1[nH]c2c(cc(C)cc2CNC(=O)c2csc(C[NH+](C)C)n2)c1C ZINC000071764909 221370771 /nfs/dbraw/zinc/37/07/71/221370771.db2.gz PKBXNJWACULEJW-UHFFFAOYSA-N 1 2 356.495 3.541 50 0 FHAALO Cc1ccc(-c2ccnc(N[C@H](C)c3nc(-c4cccnc4)no3)n2)c(C)[nH+]1 ZINC000071763588 221371330 /nfs/dbraw/zinc/37/13/30/221371330.db2.gz BMNVDBVGLDSZKP-CQSZACIVSA-N 1 2 373.420 3.774 50 0 FHAALO C[C@@H](O)CNc1[nH+]c2ccccc2n1Cc1ccc(F)c2cccnc12 ZINC000072014029 221395761 /nfs/dbraw/zinc/39/57/61/221395761.db2.gz GRTGXICJXTVHHN-CYBMUJFWSA-N 1 2 350.397 3.565 50 0 FHAALO Cc1ccccc1N1CCN(C(=O)c2ccccc2-c2[nH+]ccn2C)[C@H](C)C1 ZINC000077338387 132181159 /nfs/dbraw/zinc/18/11/59/132181159.db2.gz XGFHOILWGDKRSC-GOSISDBHSA-N 1 2 374.488 3.746 50 0 FHAALO CCn1nc(Cc2cccs2)nc1[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000095353121 132206779 /nfs/dbraw/zinc/20/67/79/132206779.db2.gz ISCPMLFDCSQGCT-HNNXBMFYSA-N 1 2 353.495 3.729 50 0 FHAALO Cc1cc(C[NH+]2CCN(c3ccc4c(Cl)ccc(C)c4n3)CC2)no1 ZINC000095460592 132211335 /nfs/dbraw/zinc/21/13/35/132211335.db2.gz ARWIWLWCBVXCMX-UHFFFAOYSA-N 1 2 356.857 3.815 50 0 FHAALO Cc1cccc(N2CC[NH+]([C@H](C)C(=O)Nc3ccc(F)cc3)CC2)c1C ZINC000096497143 132225334 /nfs/dbraw/zinc/22/53/34/132225334.db2.gz LHDZOSCIFQREJZ-QGZVFWFLSA-N 1 2 355.457 3.592 50 0 FHAALO C[N@H+](CC(=O)N1c2ccccc2OC[C@H]1c1ccccc1)Cc1ccco1 ZINC000008935756 132260750 /nfs/dbraw/zinc/26/07/50/132260750.db2.gz BYPUGQDEGKVVFE-FQEVSTJZSA-N 1 2 362.429 3.878 50 0 FHAALO C[N@@H+](CC(=O)N1c2ccccc2OC[C@H]1c1ccccc1)Cc1ccco1 ZINC000008935756 132260751 /nfs/dbraw/zinc/26/07/51/132260751.db2.gz BYPUGQDEGKVVFE-FQEVSTJZSA-N 1 2 362.429 3.878 50 0 FHAALO Cc1cc(N2C[C@@H](C)O[C@H](c3ccsc3)C2)nc(-c2ccncc2)[nH+]1 ZINC000162368607 132260922 /nfs/dbraw/zinc/26/09/22/132260922.db2.gz HBXZVEXSRSCDLG-PBHICJAKSA-N 1 2 352.463 3.875 50 0 FHAALO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000021847010 132902924 /nfs/dbraw/zinc/90/29/24/132902924.db2.gz VPDWNDJYILXFMY-INIZCTEOSA-N 1 2 357.885 3.798 50 0 FHAALO Clc1ccc(CNc2nc(N3CCOCC3)c3ccccc3[nH+]2)cc1 ZINC000041149037 132949738 /nfs/dbraw/zinc/94/97/38/132949738.db2.gz VSIBSPMRGUVOAP-UHFFFAOYSA-N 1 2 354.841 3.732 50 0 FHAALO CC(C)CC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3F)CC2)nc1 ZINC000034667860 136117687 /nfs/dbraw/zinc/11/76/87/136117687.db2.gz AUXOEVHHGCWAGL-UHFFFAOYSA-N 1 2 370.472 3.528 50 0 FHAALO Cc1cccc(N2CC[NH+](Cc3nc(-c4cccs4)no3)CC2)c1C ZINC000041282857 136121014 /nfs/dbraw/zinc/12/10/14/136121014.db2.gz CPUVIKIJHQLDLC-UHFFFAOYSA-N 1 2 354.479 3.737 50 0 FHAALO CC(C)c1ccc(NC(=O)C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000052537430 136124452 /nfs/dbraw/zinc/12/44/52/136124452.db2.gz ZPOVTLQEBIHTNX-UHFFFAOYSA-N 1 2 355.457 3.710 50 0 FHAALO Fc1ccc(N2CC[NH+](Cc3nc(-c4ccc(Cl)cc4)no3)CC2)cc1 ZINC000055242290 136126273 /nfs/dbraw/zinc/12/62/73/136126273.db2.gz UVGRUWBLOCIKAL-UHFFFAOYSA-N 1 2 372.831 3.851 50 0 FHAALO CC[C@H](C)c1ccc(NC(=O)C[NH+]2CCN(c3ccccc3O)CC2)cc1 ZINC000057363710 136128733 /nfs/dbraw/zinc/12/87/33/136128733.db2.gz CYCRRJRQABRYAY-KRWDZBQOSA-N 1 2 367.493 3.666 50 0 FHAALO Cc1cccc(C)c1NC(=O)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000057364051 136128836 /nfs/dbraw/zinc/12/88/36/136128836.db2.gz KGXQJLUFAVSPFJ-UHFFFAOYSA-N 1 2 357.885 3.718 50 0 FHAALO CC(C)NC(=O)c1ccc2cc[nH+]c(N3CCN(c4ccccc4)CC3)c2c1 ZINC000064667902 136133533 /nfs/dbraw/zinc/13/35/33/136133533.db2.gz COYBBJSNZAMPJX-UHFFFAOYSA-N 1 2 374.488 3.700 50 0 FHAALO CC(C)c1cccc(N2CC[NH+](Cc3cnc(-c4ccco4)nc3)CC2)n1 ZINC000067789552 136137539 /nfs/dbraw/zinc/13/75/39/136137539.db2.gz AFFNJTAORDTVNQ-UHFFFAOYSA-N 1 2 363.465 3.577 50 0 FHAALO CCc1c[nH+]c(C)nc1N1CCC[C@H](C(=O)c2ccc(OC)c(F)c2)C1 ZINC000071711927 136139602 /nfs/dbraw/zinc/13/96/02/136139602.db2.gz CBQPALZSBHUNLA-INIZCTEOSA-N 1 2 357.429 3.594 50 0 FHAALO Nc1cc(N2CCC[C@@H](C(=O)c3ccc(Oc4ccccc4)cc3)C2)[nH+]cn1 ZINC000071662813 136139705 /nfs/dbraw/zinc/13/97/05/136139705.db2.gz LXKNVMFZFJDMCU-QGZVFWFLSA-N 1 2 374.444 3.950 50 0 FHAALO CCN1C[C@@]2(CCCN(c3cc(C)c4ccc(F)cc4[nH+]3)C2)CCC1=O ZINC000072435254 136147393 /nfs/dbraw/zinc/14/73/93/136147393.db2.gz FNRSLUWXLYAYIA-OAQYLSRUSA-N 1 2 355.457 3.911 50 0 FHAALO Cc1nn(C)cc1NC(=O)NCC1CCC(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000096153558 222055455 /nfs/dbraw/zinc/05/54/55/222055455.db2.gz SLGZMGNYWFNLSQ-UHFFFAOYSA-N 1 2 366.469 3.700 50 0 FHAALO OCC[C@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1Cc1ccccc1F ZINC000096806823 222130797 /nfs/dbraw/zinc/13/07/97/222130797.db2.gz TZFQHNQFUJEHQQ-IBGZPJMESA-N 1 2 362.876 3.548 50 0 FHAALO OCC[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1Cc1ccccc1F ZINC000096806823 222130798 /nfs/dbraw/zinc/13/07/98/222130798.db2.gz TZFQHNQFUJEHQQ-IBGZPJMESA-N 1 2 362.876 3.548 50 0 FHAALO O=C(/C=C\c1ccc(Cl)cc1)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000096920738 222140018 /nfs/dbraw/zinc/14/00/18/222140018.db2.gz HUAWICFZLFYNOQ-NHHWLVAYSA-N 1 2 370.880 3.543 50 0 FHAALO O=C(Nc1cccc(COC2CCCCC2)c1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000097165145 222166085 /nfs/dbraw/zinc/16/60/85/222166085.db2.gz CLEABEBBVYCXMH-QGZVFWFLSA-N 1 2 353.466 3.934 50 0 FHAALO Cc1c2[nH+]c[nH]c2cc(NC(=O)N[C@H](C)c2nc(CC(C)C)no2)c1C ZINC000097696346 222206028 /nfs/dbraw/zinc/20/60/28/222206028.db2.gz IKMWYCOFFHKWKA-GFCCVEGCSA-N 1 2 356.430 3.644 50 0 FHAALO Cc1c2[nH]c[nH+]c2cc(NC(=O)N[C@H](C)c2nc(CC(C)C)no2)c1C ZINC000097696346 222206030 /nfs/dbraw/zinc/20/60/30/222206030.db2.gz IKMWYCOFFHKWKA-GFCCVEGCSA-N 1 2 356.430 3.644 50 0 FHAALO COCC1(C(=O)NCC2CCC(c3[nH]c4ccccc4[nH+]3)CC2)CCC1 ZINC000097742915 222209208 /nfs/dbraw/zinc/20/92/08/222209208.db2.gz QBNXSOPQACEYCR-UHFFFAOYSA-N 1 2 355.482 3.770 50 0 FHAALO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1nc2cc(Cl)ccc2n1C ZINC000106528143 222386403 /nfs/dbraw/zinc/38/64/03/222386403.db2.gz ZRZKWKVYJSKZPY-NUTKFTJISA-N 1 2 361.873 3.533 50 0 FHAALO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1nc2cc(Cl)ccc2n1C ZINC000106528143 222386405 /nfs/dbraw/zinc/38/64/05/222386405.db2.gz ZRZKWKVYJSKZPY-NUTKFTJISA-N 1 2 361.873 3.533 50 0 FHAALO COc1ccccc1C(=O)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2C)C1 ZINC000019743611 263375377 /nfs/dbraw/zinc/37/53/77/263375377.db2.gz WFKZZFGLSNMAGF-INIZCTEOSA-N 1 2 363.461 3.677 50 0 FHAALO COc1ccccc1C(=O)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2C)C1 ZINC000019743611 263375379 /nfs/dbraw/zinc/37/53/79/263375379.db2.gz WFKZZFGLSNMAGF-INIZCTEOSA-N 1 2 363.461 3.677 50 0 FHAALO Cc1cc(C)cc(NC(=O)CN2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC000020345334 524420055 /nfs/dbraw/zinc/42/00/55/524420055.db2.gz OODDQJOXQUVTHB-RMKNXTFCSA-N 1 2 363.505 3.573 50 0 FHAALO Cc1cccc(OCC[N@@H+](C)Cc2nnc(Cc3ccccc3C)o2)c1 ZINC000079107955 524739964 /nfs/dbraw/zinc/73/99/64/524739964.db2.gz GOQGJSKYROEURC-UHFFFAOYSA-N 1 2 351.450 3.788 50 0 FHAALO Cc1cccc(OCC[N@H+](C)Cc2nnc(Cc3ccccc3C)o2)c1 ZINC000079107955 524739979 /nfs/dbraw/zinc/73/99/79/524739979.db2.gz GOQGJSKYROEURC-UHFFFAOYSA-N 1 2 351.450 3.788 50 0 FHAALO Cc1cccc(O[C@H](C)C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC000012585771 524778000 /nfs/dbraw/zinc/77/80/00/524778000.db2.gz IJVAPRGGIOXDJU-WUTDNEBXSA-N 1 2 364.489 3.620 50 0 FHAALO COc1ccc2[nH]c(CCN(C)C(=O)c3cc4c(s3)CCCC4)[nH+]c2c1 ZINC000091462423 525664685 /nfs/dbraw/zinc/66/46/85/525664685.db2.gz QHQLPDFJJKNOKW-UHFFFAOYSA-N 1 2 369.490 3.827 50 0 FHAALO Cc1noc(C)c1C(=O)N1CCC[C@@H](c2[nH+]ccn2Cc2ccccc2)C1 ZINC000082137793 526468671 /nfs/dbraw/zinc/46/86/71/526468671.db2.gz RFWGCULKTDCXFY-GOSISDBHSA-N 1 2 364.449 3.556 50 0 FHAALO c1nc(N2CCCC2)sc1C[N@@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000020388119 526600973 /nfs/dbraw/zinc/60/09/73/526600973.db2.gz MVINCDDNWHWNAS-SFHVURJKSA-N 1 2 357.523 3.577 50 0 FHAALO c1nc(N2CCCC2)sc1C[N@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000020388119 526600979 /nfs/dbraw/zinc/60/09/79/526600979.db2.gz MVINCDDNWHWNAS-SFHVURJKSA-N 1 2 357.523 3.577 50 0 FHAALO O=C(NCc1ccc(F)cc1)N1CCC[C@@H](c2[nH+]ccn2CC2CC2)C1 ZINC000082121788 526671052 /nfs/dbraw/zinc/67/10/52/526671052.db2.gz ZKAKUZFNJACBOM-QGZVFWFLSA-N 1 2 356.445 3.521 50 0 FHAALO Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)CC(=O)NC(=O)Nc1ccccc1 ZINC000089558933 526678575 /nfs/dbraw/zinc/67/85/75/526678575.db2.gz XQCBKIKMWVKOIZ-AWEZNQCLSA-N 1 2 374.510 3.916 50 0 FHAALO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CC(=O)NC(=O)Nc1ccccc1 ZINC000089558933 526678580 /nfs/dbraw/zinc/67/85/80/526678580.db2.gz XQCBKIKMWVKOIZ-AWEZNQCLSA-N 1 2 374.510 3.916 50 0 FHAALO O=C(c1ccc2c(c1)CCCO2)N1CCC(c2[nH+]ccn2CC2CC2)CC1 ZINC000082097011 526722772 /nfs/dbraw/zinc/72/27/72/526722772.db2.gz MHIWONQNPCQPLF-UHFFFAOYSA-N 1 2 365.477 3.638 50 0 FHAALO O=C(c1cnc2ccccc2c1)N1CCC[C@H](c2[nH+]ccn2CC2CC2)C1 ZINC000082160418 526876419 /nfs/dbraw/zinc/87/64/19/526876419.db2.gz GDOWMNPFBDOPQJ-SFHVURJKSA-N 1 2 360.461 3.861 50 0 FHAALO O=C(Cn1cc[nH+]c1-c1ccccc1)N1CCCC[C@@H]1CCc1ccccn1 ZINC000091494066 527394260 /nfs/dbraw/zinc/39/42/60/527394260.db2.gz KXPUZRUSEHEINR-OAQYLSRUSA-N 1 2 374.488 3.959 50 0 FHAALO Cn1cc[nH+]c1C1CCN(C(=O)c2ccc(Oc3ccccc3)o2)CC1 ZINC000091644658 527427880 /nfs/dbraw/zinc/42/78/80/527427880.db2.gz SDGQGOJVXBVCLL-UHFFFAOYSA-N 1 2 351.406 3.825 50 0 FHAALO Cc1c2cc(Cl)ccc2[nH]c1C[N@@H+]1CCc2nc(-c3cn[nH]c3)[nH]c2C1 ZINC000215820652 568090638 /nfs/dbraw/zinc/09/06/38/568090638.db2.gz QROFOGGXYPMLLO-UHFFFAOYSA-N 1 2 366.856 3.801 50 0 FHAALO Cc1c2cc(Cl)ccc2[nH]c1C[N@H+]1CCc2nc(-c3cn[nH]c3)[nH]c2C1 ZINC000215820652 568090639 /nfs/dbraw/zinc/09/06/39/568090639.db2.gz QROFOGGXYPMLLO-UHFFFAOYSA-N 1 2 366.856 3.801 50 0 FHAALO c1csc(-c2ncc(C[N@@H+](Cc3ccncc3)C[C@H]3CCCO3)cn2)c1 ZINC000216138515 568107859 /nfs/dbraw/zinc/10/78/59/568107859.db2.gz RHPLJNLKZGGFGM-GOSISDBHSA-N 1 2 366.490 3.781 50 0 FHAALO c1csc(-c2ncc(C[N@H+](Cc3ccncc3)C[C@H]3CCCO3)cn2)c1 ZINC000216138515 568107860 /nfs/dbraw/zinc/10/78/60/568107860.db2.gz RHPLJNLKZGGFGM-GOSISDBHSA-N 1 2 366.490 3.781 50 0 FHAALO Cn1cc[nH+]c1[C@H](NC(=O)CCCCCn1cccc1)c1ccccc1 ZINC000604418710 568276373 /nfs/dbraw/zinc/27/63/73/568276373.db2.gz NYVDLDUGRWCIAX-HXUWFJFHSA-N 1 2 350.466 3.688 50 0 FHAALO O=C(CC1=CSC2=[NH+]CCCN12)NCc1ccc(-c2ccc(F)cc2)o1 ZINC000220642339 568353229 /nfs/dbraw/zinc/35/32/29/568353229.db2.gz HYGZWOQHSMOPNP-UHFFFAOYSA-N 1 2 371.437 3.742 50 0 FHAALO CCc1ccc(C[N@@H+]2CCCn3nc([C@H](O)c4ccccc4)cc3C2)o1 ZINC000221438047 568406459 /nfs/dbraw/zinc/40/64/59/568406459.db2.gz STOBHQXYSCUNHI-OAQYLSRUSA-N 1 2 351.450 3.526 50 0 FHAALO CCc1ccc(C[N@H+]2CCCn3nc([C@H](O)c4ccccc4)cc3C2)o1 ZINC000221438047 568406460 /nfs/dbraw/zinc/40/64/60/568406460.db2.gz STOBHQXYSCUNHI-OAQYLSRUSA-N 1 2 351.450 3.526 50 0 FHAALO COc1cccc(-c2ccc(C(=O)N[C@@H](c3[nH+]ccn3C)C3CC3)cc2)c1 ZINC000222340957 568516787 /nfs/dbraw/zinc/51/67/87/568516787.db2.gz BPECBIMLRKMWAG-HXUWFJFHSA-N 1 2 361.445 3.977 50 0 FHAALO COc1cccc(-c2ccc(C(=O)N[C@H](c3[nH+]ccn3C)C3CC3)cc2)c1 ZINC000222341024 568516822 /nfs/dbraw/zinc/51/68/22/568516822.db2.gz BPECBIMLRKMWAG-FQEVSTJZSA-N 1 2 361.445 3.977 50 0 FHAALO C[C@H](Oc1ccc2ccccc2c1)C(=O)N1CCC(Cn2cc[nH+]c2)CC1 ZINC000091894822 570441964 /nfs/dbraw/zinc/44/19/64/570441964.db2.gz PUEKPBOBKIBIGA-KRWDZBQOSA-N 1 2 363.461 3.742 50 0 FHAALO O=C(CCCc1ccccc1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1cscn1)C2 ZINC000092046121 570445965 /nfs/dbraw/zinc/44/59/65/570445965.db2.gz RXUHYAWUNCUFLM-AZUAARDMSA-N 1 2 369.534 3.589 50 0 FHAALO O=C(CCCc1ccccc1)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1cscn1)C2 ZINC000092046121 570445970 /nfs/dbraw/zinc/44/59/70/570445970.db2.gz RXUHYAWUNCUFLM-AZUAARDMSA-N 1 2 369.534 3.589 50 0 FHAALO Cc1c2cccc(C)c2n(C)c1C(=O)N1CCC(c2[nH+]ccn2C)CC1 ZINC000092078819 570446997 /nfs/dbraw/zinc/44/69/97/570446997.db2.gz JCLYSXXRGQGREA-UHFFFAOYSA-N 1 2 350.466 3.548 50 0 FHAALO CCCCc1[nH+]c2ccccc2n1CCS(=O)(=O)Oc1ccccc1 ZINC000023296062 570450787 /nfs/dbraw/zinc/45/07/87/570450787.db2.gz CMXFKXGNCHYLTG-UHFFFAOYSA-N 1 2 358.463 3.788 50 0 FHAALO O=C(NC1CCCCC1)N1CCC[C@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095354505 570452715 /nfs/dbraw/zinc/45/27/15/570452715.db2.gz YFXCGFDPXYSSLY-HNNXBMFYSA-N 1 2 373.526 3.610 50 0 FHAALO CC(=O)c1ccccc1C(=O)N1CCC[C@@H](c2[nH+]ccn2CC2CCC2)C1 ZINC000095367589 570455469 /nfs/dbraw/zinc/45/54/69/570455469.db2.gz TUGUIMMGCOVNND-GOSISDBHSA-N 1 2 365.477 3.906 50 0 FHAALO CCCN1CCC[C@]2(CCN(c3cc(C)c4ccc(F)cc4[nH+]3)C2)C1=O ZINC000095370282 570456356 /nfs/dbraw/zinc/45/63/56/570456356.db2.gz GSUAZAFOMHRNGS-OAQYLSRUSA-N 1 2 355.457 3.911 50 0 FHAALO CCCCn1cc[nH+]c1[C@H]1CCCN(C(=O)Cc2nc3ccccc3[nH]2)C1 ZINC000095386196 570460384 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CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1cc(C(F)(F)F)ccc1F)C2 ZINC000121317473 570579369 /nfs/dbraw/zinc/57/93/69/570579369.db2.gz NJFVDXOVURGTRC-UHFFFAOYSA-N 1 2 369.362 3.900 50 0 FHAALO Cc1cc(C)n(-c2cc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c(-c3ccccc3)n2)n1 ZINC000005354146 570648813 /nfs/dbraw/zinc/64/88/13/570648813.db2.gz XBJDAUWGUXZRDP-IAGOWNOFSA-N 1 2 363.465 3.560 50 0 FHAALO O=C(Nc1cccc(C(F)(F)F)c1)N1CC[NH+](Cc2ccco2)CC1 ZINC000006698312 570652379 /nfs/dbraw/zinc/65/23/79/570652379.db2.gz PXIIQVNRGUPUCG-UHFFFAOYSA-N 1 2 353.344 3.648 50 0 FHAALO CCc1nc2n(n1)C(=O)C([C@H](c1ccc(CC)cc1)[NH+]1CCCC1)S2 ZINC000022852976 570694765 /nfs/dbraw/zinc/69/47/65/570694765.db2.gz SUTAXLAOSAOIBW-INIZCTEOSA-N 1 2 356.495 3.806 50 0 FHAALO CCc1nc2n(n1)C(=O)C([C@@H](c1ccc(F)cc1)[NH+]1CCCCC1)S2 ZINC000022853064 570694775 /nfs/dbraw/zinc/69/47/75/570694775.db2.gz XSLVDBDCLQMSHJ-OAHLLOKOSA-N 1 2 360.458 3.773 50 0 FHAALO Cc1ccc(-c2cnnc(N3CCC[C@H](c4[nH]c5ccccc5[nH+]4)C3)n2)o1 ZINC000011820301 570708042 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FHAALO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCCC[C@@H]2c2nccn2C)cc1F ZINC000012446097 570746567 /nfs/dbraw/zinc/74/65/67/570746567.db2.gz SJNIXDYJADOEJM-QGZVFWFLSA-N 1 2 369.444 3.685 50 0 FHAALO COc1ccc(-c2n[nH]cc2C[N@H+]2CCCC[C@@H]2c2nccn2C)cc1F ZINC000012446097 570746571 /nfs/dbraw/zinc/74/65/71/570746571.db2.gz SJNIXDYJADOEJM-QGZVFWFLSA-N 1 2 369.444 3.685 50 0 FHAALO CCOC(=O)C1(Cc2ccc(Cl)cc2)CC[NH+](Cc2ccon2)CC1 ZINC000012576143 570751453 /nfs/dbraw/zinc/75/14/53/570751453.db2.gz QJCYSSMRAVVNDH-UHFFFAOYSA-N 1 2 362.857 3.716 50 0 FHAALO CN(Cc1ccccc1N1CCCC1)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000048276857 570942358 /nfs/dbraw/zinc/94/23/58/570942358.db2.gz SNAXIVQNNHUFGP-UHFFFAOYSA-N 1 2 374.488 3.804 50 0 FHAALO COc1ccc([C@H](CNc2nc3ccccc3s2)[NH+]2CCOCC2)cc1 ZINC000025370318 570994745 /nfs/dbraw/zinc/99/47/45/570994745.db2.gz XCDNXTSXBCSXJH-SFHVURJKSA-N 1 2 369.490 3.790 50 0 FHAALO Cc1cc2occ(CC(=O)NCC(C)(C)[NH+]3CCOCC3)c2cc1C(C)C ZINC000025377158 570995102 /nfs/dbraw/zinc/99/51/02/570995102.db2.gz UKSPMNDIDHNTBP-UHFFFAOYSA-N 1 2 372.509 3.634 50 0 FHAALO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3cccc(Cl)c3)CC2)c1 ZINC000072270994 571013193 /nfs/dbraw/zinc/01/31/93/571013193.db2.gz FFEQFVLSMRQJQK-HNNXBMFYSA-N 1 2 358.869 3.868 50 0 FHAALO Brc1cc2c(cc1C[N@H+](Cc1ccco1)C1CC1)OCCO2 ZINC000028072760 571026700 /nfs/dbraw/zinc/02/67/00/571026700.db2.gz VRTOGYMUASJLES-UHFFFAOYSA-N 1 2 364.239 3.978 50 0 FHAALO Brc1cc2c(cc1C[N@@H+](Cc1ccco1)C1CC1)OCCO2 ZINC000028072760 571026702 /nfs/dbraw/zinc/02/67/02/571026702.db2.gz VRTOGYMUASJLES-UHFFFAOYSA-N 1 2 364.239 3.978 50 0 FHAALO O=C1C[C@@H](c2ccccc2)[N@H+](Cc2ncc(-c3ccc(F)cc3)o2)CCN1 ZINC000052834649 571044632 /nfs/dbraw/zinc/04/46/32/571044632.db2.gz FGZCMPDVUBLEDY-SFHVURJKSA-N 1 2 365.408 3.544 50 0 FHAALO O=C1C[C@@H](c2ccccc2)[N@@H+](Cc2ncc(-c3ccc(F)cc3)o2)CCN1 ZINC000052834649 571044635 /nfs/dbraw/zinc/04/46/35/571044635.db2.gz FGZCMPDVUBLEDY-SFHVURJKSA-N 1 2 365.408 3.544 50 0 FHAALO Cc1ccc(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1-n1cccc1 ZINC000030217819 571046466 /nfs/dbraw/zinc/04/64/66/571046466.db2.gz BYWYICXSNGJRTK-UHFFFAOYSA-N 1 2 370.456 3.961 50 0 FHAALO O=C(NCc1ccc(N2CCCC2)[nH+]c1)c1cc(F)c(F)cc1Cl ZINC000030299739 571046859 /nfs/dbraw/zinc/04/68/59/571046859.db2.gz ANIHQTUZMCSBRT-UHFFFAOYSA-N 1 2 351.784 3.543 50 0 FHAALO COc1ccc(-c2nnc(SCc3cn4cc(C)ccc4[nH+]3)o2)cc1 ZINC000008753665 571059747 /nfs/dbraw/zinc/05/97/47/571059747.db2.gz HVDIFTIOBPVTCR-UHFFFAOYSA-N 1 2 352.419 3.994 50 0 FHAALO COc1ccc(OC)c(C[NH+]2CCN(c3nc4ccccc4s3)CC2)c1 ZINC000012749237 571070383 /nfs/dbraw/zinc/07/03/83/571070383.db2.gz LKJLDADNKHJGHD-UHFFFAOYSA-N 1 2 369.490 3.636 50 0 FHAALO Cn1cc[nH+]c1[C@H](NC(=O)[C@@H]1CCCc2ccccc21)c1ccccc1F ZINC000040059005 571070654 /nfs/dbraw/zinc/07/06/54/571070654.db2.gz HOXASFDOAUNFRJ-YLJYHZDGSA-N 1 2 363.436 3.885 50 0 FHAALO O=C(CC[N@@H+]1CCO[C@H](c2ccc(F)cc2)C1)Nc1ccccc1Cl ZINC000040086074 571073668 /nfs/dbraw/zinc/07/36/68/571073668.db2.gz 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571089640 /nfs/dbraw/zinc/08/96/40/571089640.db2.gz XAGUWIXZILYAEP-QGZVFWFLSA-N 1 2 363.910 3.821 50 0 FHAALO O=S(=O)(CC[N@@H+]1CCC[C@@H]1Cc1ccccc1Cl)c1ccccc1 ZINC000084558653 571089643 /nfs/dbraw/zinc/08/96/43/571089643.db2.gz XAGUWIXZILYAEP-QGZVFWFLSA-N 1 2 363.910 3.821 50 0 FHAALO Cc1ccc(Nc2nn(C[N@@H+]3CCC[C@H](O)C3)c(=S)s2)cc1Cl ZINC000008993960 571090324 /nfs/dbraw/zinc/09/03/24/571090324.db2.gz RAWNVEIIEWPXGI-LBPRGKRZSA-N 1 2 370.931 3.794 50 0 FHAALO Cc1ccc(Nc2nn(C[N@H+]3CCC[C@H](O)C3)c(=S)s2)cc1Cl ZINC000008993960 571090326 /nfs/dbraw/zinc/09/03/26/571090326.db2.gz RAWNVEIIEWPXGI-LBPRGKRZSA-N 1 2 370.931 3.794 50 0 FHAALO Cn1cc[nH+]c1[C@@H](NC(=O)Cc1ccccc1Cl)c1cccc(F)c1 ZINC000009154129 571099279 /nfs/dbraw/zinc/09/92/79/571099279.db2.gz RYXJVWVWEZRTOI-SFHVURJKSA-N 1 2 357.816 3.661 50 0 FHAALO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000045064964 571105847 /nfs/dbraw/zinc/10/58/47/571105847.db2.gz OTSDALSYPPVKSN-QGZVFWFLSA-N 1 2 371.444 3.768 50 0 FHAALO 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Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)NCC(C)(C)C)csc2C1 ZINC000426734546 571236864 /nfs/dbraw/zinc/23/68/64/571236864.db2.gz SUSFOYYVQSIEOF-UHFFFAOYSA-N 1 2 361.511 3.687 50 0 FHAALO O[C@H](COCc1ccccc1)C[N@H+](Cc1ccco1)Cc1ccccc1F ZINC000036102958 571241824 /nfs/dbraw/zinc/24/18/24/571241824.db2.gz UQPZXTMEUQRKCN-FQEVSTJZSA-N 1 2 369.436 3.999 50 0 FHAALO O[C@H](COCc1ccccc1)C[N@@H+](Cc1ccco1)Cc1ccccc1F ZINC000036102958 571241825 /nfs/dbraw/zinc/24/18/25/571241825.db2.gz UQPZXTMEUQRKCN-FQEVSTJZSA-N 1 2 369.436 3.999 50 0 FHAALO COc1c(C)c[nH+]c(CN(C)C(=O)c2ccc3cccc(F)c3n2)c1C ZINC000091737742 571242947 /nfs/dbraw/zinc/24/29/47/571242947.db2.gz OPNWFQKMQMIGIN-UHFFFAOYSA-N 1 2 353.397 3.667 50 0 FHAALO C[C@@H](NC(=O)c1cccc(C[NH+]2CCOCC2)c1)c1cccc(Cl)c1 ZINC000068383244 571245082 /nfs/dbraw/zinc/24/50/82/571245082.db2.gz APXBXMKBSIEGGG-OAHLLOKOSA-N 1 2 358.869 3.663 50 0 FHAALO CCCN(C)c1nc(SCc2ccc(C(=O)NCC)cc2)[nH+]c(C)c1C ZINC000006765368 571245513 /nfs/dbraw/zinc/24/55/13/571245513.db2.gz 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CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000095963598 571333161 /nfs/dbraw/zinc/33/31/61/571333161.db2.gz WMVZPOXHLFHJKT-HNNXBMFYSA-N 1 2 356.813 3.717 50 0 FHAALO CC[C@H](C)NC(=O)C[N@H+]1Cc2ccccc2O[C@@H](c2ccccc2OC)C1 ZINC000215837972 571340653 /nfs/dbraw/zinc/34/06/53/571340653.db2.gz NAUKXSJTUQICQQ-HRAATJIYSA-N 1 2 368.477 3.546 50 0 FHAALO CC[C@H](C)NC(=O)C[N@@H+]1Cc2ccccc2O[C@@H](c2ccccc2OC)C1 ZINC000215837972 571340654 /nfs/dbraw/zinc/34/06/54/571340654.db2.gz NAUKXSJTUQICQQ-HRAATJIYSA-N 1 2 368.477 3.546 50 0 FHAALO CC(=O)N1CCc2cc(C(=O)[C@H](C)Sc3[nH+]cc4ccccn43)ccc21 ZINC000031634329 571352947 /nfs/dbraw/zinc/35/29/47/571352947.db2.gz AONLOZMTESHORK-ZDUSSCGKSA-N 1 2 365.458 3.607 50 0 FHAALO Cc1[nH+]c2c(cc(C)c(C)c2NS(C)(=O)=O)n1Cc1cccc(C)c1 ZINC000003997587 571353732 /nfs/dbraw/zinc/35/37/32/571353732.db2.gz KVKMHSNSYUJJTM-UHFFFAOYSA-N 1 2 357.479 3.690 50 0 FHAALO CCn1cnn(C[N@@H+]2CCC[C@H](c3nc4ccccc4s3)C2)c1=S ZINC000008147128 571359533 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FHAALO Cc1ncccc1C[N@H+]1CC2(CCOCC2)[C@H]1c1cnn(C(C)(C)C)c1 ZINC000888101240 948446050 /nfs/dbraw/zinc/44/60/50/948446050.db2.gz XGULHKJOQVOPFW-LJQANCHMSA-N 1 2 354.498 3.695 50 0 FHAALO COc1ccc(NC(=O)/C=C2/c3ccccc3CC(C)(C)[N@H+]2C)cc1OC ZINC000032110868 210245846 /nfs/dbraw/zinc/24/58/46/210245846.db2.gz HVDIGLMVSZSVIL-AQTBWJFISA-N 1 2 366.461 3.950 50 0 FHAALO COc1ccc(NC(=O)/C=C2/c3ccccc3CC(C)(C)[N@@H+]2C)cc1OC ZINC000032110868 210245853 /nfs/dbraw/zinc/24/58/53/210245853.db2.gz HVDIGLMVSZSVIL-AQTBWJFISA-N 1 2 366.461 3.950 50 0 FHAALO O=C(NC[C@H](c1ccco1)[NH+]1CCSCC1)c1c(F)cccc1Cl ZINC000244975154 210211982 /nfs/dbraw/zinc/21/19/82/210211982.db2.gz IDMZTEJBUMVETA-CQSZACIVSA-N 1 2 368.861 3.592 50 0 FHAALO O=C(COc1ccc(-c2ccccc2)cc1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000245015328 210210709 /nfs/dbraw/zinc/21/07/09/210210709.db2.gz LWKKQFQHNUCNIJ-QFIPXVFZSA-N 1 2 374.440 3.807 50 0 FHAALO Cc1cccc(NC(=O)[C@@H](C)[N@H+](C)Cc2cc(-c3ccccn3)no2)c1 ZINC000299780687 210024973 /nfs/dbraw/zinc/02/49/73/210024973.db2.gz BCHGCHYCGYDSAE-OAHLLOKOSA-N 1 2 350.422 3.504 50 0 FHAALO Cc1cccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cc(-c3ccccn3)no2)c1 ZINC000299780687 210024976 /nfs/dbraw/zinc/02/49/76/210024976.db2.gz BCHGCHYCGYDSAE-OAHLLOKOSA-N 1 2 350.422 3.504 50 0 FHAALO C[C@H](c1ccc(C(=O)NCc2nc3ccc(F)cc3[nH]2)o1)[NH+]1CCCCC1 ZINC000299772650 210018182 /nfs/dbraw/zinc/01/81/82/210018182.db2.gz AVICPKOHOUVWGB-CYBMUJFWSA-N 1 2 370.428 3.772 50 0 FHAALO Cc1c(NC(=O)N(C)CCCc2[nH+]ccn2C)cccc1-n1cccc1 ZINC000299760564 210011451 /nfs/dbraw/zinc/01/14/51/210011451.db2.gz HTMHDGBJJRZLEQ-UHFFFAOYSA-N 1 2 351.454 3.616 50 0 FHAALO Cc1cccc(OCCCC(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)c1 ZINC000012520219 220002205 /nfs/dbraw/zinc/00/22/05/220002205.db2.gz RAJUAWMPFPCFOJ-NRFANRHFSA-N 1 2 363.461 3.793 50 0 FHAALO CCc1noc(C[N@@H+]2CC3(CCCC3)c3cc4c(cc3[C@H]2C)OCCO4)n1 ZINC000012913231 220041891 /nfs/dbraw/zinc/04/18/91/220041891.db2.gz CNBKNWQDEONUEX-CQSZACIVSA-N 1 2 369.465 3.792 50 0 FHAALO CCc1noc(C[N@H+]2CC3(CCCC3)c3cc4c(cc3[C@H]2C)OCCO4)n1 ZINC000012913231 220041895 /nfs/dbraw/zinc/04/18/95/220041895.db2.gz CNBKNWQDEONUEX-CQSZACIVSA-N 1 2 369.465 3.792 50 0 FHAALO CCCCc1ccc(NC(=O)N2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000013324988 220063498 /nfs/dbraw/zinc/06/34/98/220063498.db2.gz WGBWDNZIHUZHSS-UHFFFAOYSA-N 1 2 352.482 3.774 50 0 FHAALO O=C(c1[nH]nc2ccccc21)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000023883109 211396745 /nfs/dbraw/zinc/39/67/45/211396745.db2.gz VOGYKDNHRWPLNW-UHFFFAOYSA-N 1 2 370.456 3.674 50 0 FHAALO COc1ccccc1CN1C[C@H](c2[nH]c(C)c(-c3ccccc3)[nH+]2)CC1=O ZINC000023580591 211390836 /nfs/dbraw/zinc/39/08/36/211390836.db2.gz DNORZGHRDAPMKZ-GOSISDBHSA-N 1 2 361.445 3.910 50 0 FHAALO CC(=O)c1cccc(NC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1 ZINC000022335241 211346131 /nfs/dbraw/zinc/34/61/31/211346131.db2.gz YFLXYVKUVKVUCV-INIZCTEOSA-N 1 2 351.450 3.800 50 0 FHAALO CCN1c2ccccc2[C@@]2([NH2+]CCc3c(C)n(-c4ccccc4)c(C)c32)C1=O ZINC000022096351 211336844 /nfs/dbraw/zinc/33/68/44/211336844.db2.gz RXRZNCJMQXAVLK-DEOSSOPVSA-N 1 2 371.484 3.850 50 0 FHAALO CCCCCn1c2ccccc2n(C[C@H](O)COc2ccc(C)cc2)c1=[NH2+] ZINC000020327149 211275225 /nfs/dbraw/zinc/27/52/25/211275225.db2.gz MWKWBNGVIQYQER-SFHVURJKSA-N 1 2 367.493 3.861 50 0 FHAALO CCCCCCn1c2ccccc2n(C[C@H](O)COc2ccccc2)c1=[NH2+] ZINC000020331916 211274644 /nfs/dbraw/zinc/27/46/44/211274644.db2.gz XWXYTLPJVCGZPU-SFHVURJKSA-N 1 2 367.493 3.942 50 0 FHAALO CC[N@@H+]1CCc2nc3sc(C(=O)Nc4ccc(F)cc4)c(N)c3cc2C1 ZINC000020289909 211271843 /nfs/dbraw/zinc/27/18/43/211271843.db2.gz ZOSGRRKFMMLVFI-UHFFFAOYSA-N 1 2 370.453 3.648 50 0 FHAALO CC[N@H+]1CCc2nc3sc(C(=O)Nc4ccc(F)cc4)c(N)c3cc2C1 ZINC000020289909 211271846 /nfs/dbraw/zinc/27/18/46/211271846.db2.gz ZOSGRRKFMMLVFI-UHFFFAOYSA-N 1 2 370.453 3.648 50 0 FHAALO CC(=O)Nc1ccc(C[N@@H+]2CCO[C@@H](Cc3ccccc3Cl)C2)cc1 ZINC000019792290 211256066 /nfs/dbraw/zinc/25/60/66/211256066.db2.gz GTGMRMCAJFVEAV-IBGZPJMESA-N 1 2 358.869 3.742 50 0 FHAALO CC(=O)Nc1ccc(C[N@H+]2CCO[C@@H](Cc3ccccc3Cl)C2)cc1 ZINC000019792290 211256070 /nfs/dbraw/zinc/25/60/70/211256070.db2.gz GTGMRMCAJFVEAV-IBGZPJMESA-N 1 2 358.869 3.742 50 0 FHAALO O=C(/C=C/c1ccc(F)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000019760102 211256097 /nfs/dbraw/zinc/25/60/97/211256097.db2.gz HDDUXSWJVSLWOJ-NJPWYCGFSA-N 1 2 350.437 3.697 50 0 FHAALO COc1ccc(C[NH+]2CCN(C(=O)c3cccc4ccccc43)CC2)cc1 ZINC000019787620 211255839 /nfs/dbraw/zinc/25/58/39/211255839.db2.gz AWRCVRGNNDCCNN-UHFFFAOYSA-N 1 2 360.457 3.806 50 0 FHAALO CC[C@@H](C)Oc1cccc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000019683067 211245520 /nfs/dbraw/zinc/24/55/20/211245520.db2.gz ZPAXSMSUYBQUIC-QGZVFWFLSA-N 1 2 368.477 3.948 50 0 FHAALO C[C@H]1CCCC[C@H]1NC(=O)C[N@H+](C)Cc1ccc(Br)s1 ZINC000019542381 211230699 /nfs/dbraw/zinc/23/06/99/211230699.db2.gz LDDDIHKKJIMYQT-WCQYABFASA-N 1 2 359.333 3.637 50 0 FHAALO C[C@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)Cc1ccc(Br)s1 ZINC000019542381 211230703 /nfs/dbraw/zinc/23/07/03/211230703.db2.gz LDDDIHKKJIMYQT-WCQYABFASA-N 1 2 359.333 3.637 50 0 FHAALO Fc1cccc(C[NH+]2CCN(Cc3ccccc3Br)CC2)c1 ZINC000019361466 211219007 /nfs/dbraw/zinc/21/90/07/211219007.db2.gz MBLLTURNWVYFRY-UHFFFAOYSA-N 1 2 363.274 3.906 50 0 FHAALO Fc1ccccc1C[NH+]1CCN(Cc2cccc(Br)c2)CC1 ZINC000019361449 211217785 /nfs/dbraw/zinc/21/77/85/211217785.db2.gz CJPHIKUMBXZPTQ-UHFFFAOYSA-N 1 2 363.274 3.906 50 0 FHAALO CCCC12CN3CC(C)(C[N@H+](C1)C3c1c(C)n(CC)c3ccccc31)C2=O ZINC000019322803 211215126 /nfs/dbraw/zinc/21/51/26/211215126.db2.gz NSJJGTWKCCCOQT-UHFFFAOYSA-N 1 2 365.521 3.975 50 0 FHAALO CCCC12CN3CC(C)(C[N@@H+](C1)C3c1c(C)n(CC)c3ccccc31)C2=O ZINC000019322803 211215131 /nfs/dbraw/zinc/21/51/31/211215131.db2.gz NSJJGTWKCCCOQT-UHFFFAOYSA-N 1 2 365.521 3.975 50 0 FHAALO CC(C)c1ccc(C2N3CC4(C)C[N@@H+]2CC(c2ccccc2)(C3)C4=O)cc1 ZINC000019323647 211214455 /nfs/dbraw/zinc/21/44/55/211214455.db2.gz OOLVXQMTYHVBJY-UHFFFAOYSA-N 1 2 360.501 3.967 50 0 FHAALO CC(C)c1ccc(C2N3CC4(C)C[N@H+]2CC(c2ccccc2)(C3)C4=O)cc1 ZINC000019323647 211214459 /nfs/dbraw/zinc/21/44/59/211214459.db2.gz OOLVXQMTYHVBJY-UHFFFAOYSA-N 1 2 360.501 3.967 50 0 FHAALO Fc1ccccc1-c1noc(-c2ccc(NCCCn3cc[nH+]c3)nc2)n1 ZINC000019145330 211204241 /nfs/dbraw/zinc/20/42/41/211204241.db2.gz QSYSCUIPMLMDNL-UHFFFAOYSA-N 1 2 364.384 3.636 50 0 FHAALO COc1ccccc1[C@@H](NC(=O)c1ccc(Cl)cc1)c1[nH+]ccn1C ZINC000018237680 211195543 /nfs/dbraw/zinc/19/55/43/211195543.db2.gz ITERFMIEHIVZIZ-QGZVFWFLSA-N 1 2 355.825 3.602 50 0 FHAALO OCC[C@@H]1CN(Cc2cc3ccccc3o2)CC[N@@H+]1Cc1ccsc1 ZINC000019224287 211207677 /nfs/dbraw/zinc/20/76/77/211207677.db2.gz WPMVPBJPKRZYIV-GOSISDBHSA-N 1 2 356.491 3.563 50 0 FHAALO OCC[C@@H]1CN(Cc2cc3ccccc3o2)CC[N@H+]1Cc1ccsc1 ZINC000019224287 211207682 /nfs/dbraw/zinc/20/76/82/211207682.db2.gz WPMVPBJPKRZYIV-GOSISDBHSA-N 1 2 356.491 3.563 50 0 FHAALO O=C(c1c[nH+]c2ccccc2c1Nc1ccc(F)cc1)N1CCOCC1 ZINC000017200776 211183155 /nfs/dbraw/zinc/18/31/55/211183155.db2.gz COECAKVTBKNDAZ-UHFFFAOYSA-N 1 2 351.381 3.590 50 0 FHAALO C[N@@H+]1CCc2nc(NC(=O)CSc3ccc(Cl)cc3)sc2C1 ZINC000015880135 211148958 /nfs/dbraw/zinc/14/89/58/211148958.db2.gz UJIWNRUKNIMUGU-UHFFFAOYSA-N 1 2 353.900 3.515 50 0 FHAALO C[N@H+]1CCc2nc(NC(=O)CSc3ccc(Cl)cc3)sc2C1 ZINC000015880135 211148960 /nfs/dbraw/zinc/14/89/60/211148960.db2.gz UJIWNRUKNIMUGU-UHFFFAOYSA-N 1 2 353.900 3.515 50 0 FHAALO CCC[C@H](C)[NH+]1CCN(C(=O)c2cc(-c3ccc(C)cc3C)[nH]n2)CC1 ZINC000015679381 211137740 /nfs/dbraw/zinc/13/77/40/211137740.db2.gz JKZFWEAIBBPKCX-KRWDZBQOSA-N 1 2 354.498 3.640 50 0 FHAALO CC[N@H+](CCCNS(=O)(=O)c1ccccc1Cl)c1ccccc1 ZINC000015364900 211129624 /nfs/dbraw/zinc/12/96/24/211129624.db2.gz JDJNGTBMDRVYED-UHFFFAOYSA-N 1 2 352.887 3.535 50 0 FHAALO CC[N@@H+](CCCNS(=O)(=O)c1ccccc1Cl)c1ccccc1 ZINC000015364900 211129629 /nfs/dbraw/zinc/12/96/29/211129629.db2.gz JDJNGTBMDRVYED-UHFFFAOYSA-N 1 2 352.887 3.535 50 0 FHAALO O=C(NCc1ccc[nH+]c1N1CCCCCCC1)c1ncoc1C1CC1 ZINC000015074819 211119756 /nfs/dbraw/zinc/11/97/56/211119756.db2.gz DJMZOSJLJDRJSE-UHFFFAOYSA-N 1 2 354.454 3.648 50 0 FHAALO CSc1nnc(C[N@H+](C)Cc2ccc(C(C)C)cc2)n1C[C@@H]1CCCO1 ZINC000014889388 211103518 /nfs/dbraw/zinc/10/35/18/211103518.db2.gz PACZKSVZKXNUQM-SFHVURJKSA-N 1 2 374.554 3.934 50 0 FHAALO CSc1nnc(C[N@@H+](C)Cc2ccc(C(C)C)cc2)n1C[C@@H]1CCCO1 ZINC000014889388 211103522 /nfs/dbraw/zinc/10/35/22/211103522.db2.gz PACZKSVZKXNUQM-SFHVURJKSA-N 1 2 374.554 3.934 50 0 FHAALO Cc1ccc(C)c(Sc2ccc(NC(=O)C[NH+]3CCC(O)CC3)cc2)c1 ZINC000014247683 211089570 /nfs/dbraw/zinc/08/95/70/211089570.db2.gz LDBFKLMMZWBPRY-UHFFFAOYSA-N 1 2 370.518 3.850 50 0 FHAALO COc1ccc2oc(C(=O)N3CC[N@H+](C)C[C@H]3c3ccccc3)c(C)c2c1 ZINC000014158901 211078742 /nfs/dbraw/zinc/07/87/42/211078742.db2.gz YJVNTCSESIFFHQ-IBGZPJMESA-N 1 2 364.445 3.879 50 0 FHAALO COc1ccc2oc(C(=O)N3CC[N@@H+](C)C[C@H]3c3ccccc3)c(C)c2c1 ZINC000014158901 211078744 /nfs/dbraw/zinc/07/87/44/211078744.db2.gz YJVNTCSESIFFHQ-IBGZPJMESA-N 1 2 364.445 3.879 50 0 FHAALO COc1cccc2cc(C(=O)Nc3ccc(C[NH+]4CCOCC4)cc3)oc21 ZINC000013689829 211050271 /nfs/dbraw/zinc/05/02/71/211050271.db2.gz ZMCFSMSMINSFBA-UHFFFAOYSA-N 1 2 366.417 3.526 50 0 FHAALO COc1cc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2Cl)cc(OC)c1 ZINC000013097099 211021765 /nfs/dbraw/zinc/02/17/65/211021765.db2.gz LPCXYCWFHOCHFH-CYBMUJFWSA-N 1 2 362.857 3.816 50 0 FHAALO COc1cc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2Cl)cc(OC)c1 ZINC000013097099 211021771 /nfs/dbraw/zinc/02/17/71/211021771.db2.gz LPCXYCWFHOCHFH-CYBMUJFWSA-N 1 2 362.857 3.816 50 0 FHAALO COc1ccccc1[C@@H](CNC(=O)c1ccc(C(C)=O)s1)[NH+]1CCCC1 ZINC000013010402 211020380 /nfs/dbraw/zinc/02/03/80/211020380.db2.gz BJMUPUDDKIOKBT-MRXNPFEDSA-N 1 2 372.490 3.526 50 0 FHAALO Cc1ccccc1CC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000012628406 210979823 /nfs/dbraw/zinc/97/98/23/210979823.db2.gz HKZMFWDPORGJKS-IBGZPJMESA-N 1 2 353.853 3.830 50 0 FHAALO C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+](C)Cc1ccc(Cl)s1 ZINC000008226203 210775537 /nfs/dbraw/zinc/77/55/37/210775537.db2.gz OZTNQWCUQSDAPW-SNVBAGLBSA-N 1 2 352.843 3.589 50 0 FHAALO C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000008226203 210775542 /nfs/dbraw/zinc/77/55/42/210775542.db2.gz OZTNQWCUQSDAPW-SNVBAGLBSA-N 1 2 352.843 3.589 50 0 FHAALO C[C@@H](NC(=O)c1ccc(Br)o1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000008012808 210765273 /nfs/dbraw/zinc/76/52/73/210765273.db2.gz UGRWJXPOPPJYSA-LLVKDONJSA-N 1 2 360.211 3.719 50 0 FHAALO Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)Cc1ccsc1 ZINC000007927113 210760103 /nfs/dbraw/zinc/76/01/03/210760103.db2.gz NVWIPJOPHGYVEW-UHFFFAOYSA-N 1 2 353.285 3.890 50 0 FHAALO Cc1cc(Br)ccc1NC(=O)C[N@H+](C)Cc1ccsc1 ZINC000007927113 210760108 /nfs/dbraw/zinc/76/01/08/210760108.db2.gz NVWIPJOPHGYVEW-UHFFFAOYSA-N 1 2 353.285 3.890 50 0 FHAALO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)Nc3ccccc3OC)c2C1 ZINC000022096101 220376392 /nfs/dbraw/zinc/37/63/92/220376392.db2.gz UDTKCYFLGWZMBK-UHFFFAOYSA-N 1 2 361.445 3.874 50 0 FHAALO CC[N@H+]1CCc2nc3ccccc3c(C(=O)Nc3ccccc3OC)c2C1 ZINC000022096101 220376394 /nfs/dbraw/zinc/37/63/94/220376394.db2.gz UDTKCYFLGWZMBK-UHFFFAOYSA-N 1 2 361.445 3.874 50 0 FHAALO CCN1CC[NH+]([C@@H](c2cccs2)[C@@H](C)NC(=O)c2ccc(C)cc2)CC1 ZINC000022460093 220386957 /nfs/dbraw/zinc/38/69/57/220386957.db2.gz FYSSMAPBTFFJTD-YLJYHZDGSA-N 1 2 371.550 3.554 50 0 FHAALO CCc1[nH+]c2cc3c(cc2n1CC(=O)Nc1cc(C)cc(C)c1)OCCO3 ZINC000064795131 221152372 /nfs/dbraw/zinc/15/23/72/221152372.db2.gz NTJWEKXLHSQUPB-UHFFFAOYSA-N 1 2 365.433 3.625 50 0 FHAALO C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](Cc1nnnn1C1CC1)C1CC1 ZINC000064932793 221155808 /nfs/dbraw/zinc/15/58/08/221155808.db2.gz JPYSALGLFRAKBM-NSHDSACASA-N 1 2 351.376 3.752 50 0 FHAALO C[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+](Cc1nnnn1C1CC1)C1CC1 ZINC000064932793 221155812 /nfs/dbraw/zinc/15/58/12/221155812.db2.gz JPYSALGLFRAKBM-NSHDSACASA-N 1 2 351.376 3.752 50 0 FHAALO CC(C)Oc1ccc(CNC(=O)c2cc3c(s2)C[N@@H+](C2CC2)C3)cc1 ZINC000065238918 221184922 /nfs/dbraw/zinc/18/49/22/221184922.db2.gz NVZOKXYVOOXHPM-UHFFFAOYSA-N 1 2 356.491 3.943 50 0 FHAALO CC(C)Oc1ccc(CNC(=O)c2cc3c(s2)C[N@H+](C2CC2)C3)cc1 ZINC000065238918 221184924 /nfs/dbraw/zinc/18/49/24/221184924.db2.gz NVZOKXYVOOXHPM-UHFFFAOYSA-N 1 2 356.491 3.943 50 0 FHAALO COc1c(C)c[nH+]c(CNC(=O)c2c3c(nc4ccccc42)CCC3)c1C ZINC000064998172 221163324 /nfs/dbraw/zinc/16/33/24/221163324.db2.gz JNCSXMDYQRVEAU-UHFFFAOYSA-N 1 2 361.445 3.674 50 0 FHAALO CCc1nnc(C[N@H+](Cc2cc(=O)oc3cc(C)c(C)cc23)C(C)C)o1 ZINC000065493384 221224978 /nfs/dbraw/zinc/22/49/78/221224978.db2.gz YVAKLGLLIWPBKT-UHFFFAOYSA-N 1 2 355.438 3.766 50 0 FHAALO CCc1nnc(C[N@@H+](Cc2cc(=O)oc3cc(C)c(C)cc23)C(C)C)o1 ZINC000065493384 221224981 /nfs/dbraw/zinc/22/49/81/221224981.db2.gz YVAKLGLLIWPBKT-UHFFFAOYSA-N 1 2 355.438 3.766 50 0 FHAALO O=C(C[N@@H+]1CCc2onc(-c3ccc(Cl)cc3)c2C1)N1CCCCCC1 ZINC000067457716 221254010 /nfs/dbraw/zinc/25/40/10/221254010.db2.gz UBBGMWQVMDMEEU-UHFFFAOYSA-N 1 2 373.884 3.756 50 0 FHAALO O=C(C[N@H+]1CCc2onc(-c3ccc(Cl)cc3)c2C1)N1CCCCCC1 ZINC000067457716 221254012 /nfs/dbraw/zinc/25/40/12/221254012.db2.gz UBBGMWQVMDMEEU-UHFFFAOYSA-N 1 2 373.884 3.756 50 0 FHAALO CCCc1nc(N2Cc3cnn(Cc4ccc(F)cc4)c3C2)cc(C)[nH+]1 ZINC000067603440 221260949 /nfs/dbraw/zinc/26/09/49/221260949.db2.gz FHCGCCRPRYRGER-UHFFFAOYSA-N 1 2 351.429 3.642 50 0 FHAALO Cc1cccc(C(=O)NCc2ccc[nH+]c2N2CCc3ccccc3C2)c1O ZINC000067773485 221284239 /nfs/dbraw/zinc/28/42/39/221284239.db2.gz ODKLWFUXUCUHKD-UHFFFAOYSA-N 1 2 373.456 3.588 50 0 FHAALO Cc1nn(C(C)C)c(C)c1C[NH+]1CCN(c2ncc(C)cc2Cl)CC1 ZINC000067774392 221284991 /nfs/dbraw/zinc/28/49/91/221284991.db2.gz LUUPQTBMPYUFHI-UHFFFAOYSA-N 1 2 361.921 3.760 50 0 FHAALO Cc1noc2ncnc(NCc3ccc[nH+]c3N(C)C3CCCCC3)c12 ZINC000067788795 221285228 /nfs/dbraw/zinc/28/52/28/221285228.db2.gz WYCFEIVQSRZUCU-UHFFFAOYSA-N 1 2 352.442 3.702 50 0 FHAALO CC(C)c1nccc(C[N@@H+]2CCc3onc(-c4cccc(F)c4)c3C2)n1 ZINC000067909861 221304112 /nfs/dbraw/zinc/30/41/12/221304112.db2.gz FBVDIJGIPKNJNF-UHFFFAOYSA-N 1 2 352.413 3.952 50 0 FHAALO CC(C)c1nccc(C[N@H+]2CCc3onc(-c4cccc(F)c4)c3C2)n1 ZINC000067909861 221304114 /nfs/dbraw/zinc/30/41/14/221304114.db2.gz FBVDIJGIPKNJNF-UHFFFAOYSA-N 1 2 352.413 3.952 50 0 FHAALO Cc1ccc(-c2ccnc(N(C)Cc3nnc(-c4ccccc4)o3)n2)c(C)[nH+]1 ZINC000071661253 221353207 /nfs/dbraw/zinc/35/32/07/221353207.db2.gz JUEQGSRPJDKUAH-UHFFFAOYSA-N 1 2 372.432 3.842 50 0 FHAALO CCn1cc[nH+]c1CN1CCO[C@H](c2ccc3cc(OC)ccc3c2)C1 ZINC000071551736 221352811 /nfs/dbraw/zinc/35/28/11/221352811.db2.gz WZZWBFSMWBBVCD-FQEVSTJZSA-N 1 2 351.450 3.638 50 0 FHAALO c1cnn(Cc2ccccc2-c2[nH+]ccn2Cc2cn3ccsc3n2)c1 ZINC000071721611 221357147 /nfs/dbraw/zinc/35/71/47/221357147.db2.gz HVMRLPUJGMZGIB-UHFFFAOYSA-N 1 2 360.446 3.552 50 0 FHAALO COc1cc[nH+]c(CN2CCO[C@H](c3ccc4cc(OC)ccc4c3)C2)c1 ZINC000071736172 221357467 /nfs/dbraw/zinc/35/74/67/221357467.db2.gz LEUGYTNVVIJHIV-QFIPXVFZSA-N 1 2 364.445 3.826 50 0 FHAALO COc1ccnc(C[N@@H+]2CCO[C@H](c3ccc4cc(OC)ccc4c3)C2)c1 ZINC000071736172 221357471 /nfs/dbraw/zinc/35/74/71/221357471.db2.gz LEUGYTNVVIJHIV-QFIPXVFZSA-N 1 2 364.445 3.826 50 0 FHAALO COc1ccnc(C[N@H+]2CCO[C@H](c3ccc4cc(OC)ccc4c3)C2)c1 ZINC000071736172 221357474 /nfs/dbraw/zinc/35/74/74/221357474.db2.gz LEUGYTNVVIJHIV-QFIPXVFZSA-N 1 2 364.445 3.826 50 0 FHAALO CC[C@H]1C[N@H+](Cc2cccc(Cl)n2)CCC(=O)N1Cc1ccccc1 ZINC000071753649 221364278 /nfs/dbraw/zinc/36/42/78/221364278.db2.gz QSZDJDNKGFVERI-SFHVURJKSA-N 1 2 357.885 3.748 50 0 FHAALO CC[C@H]1C[N@@H+](Cc2cccc(Cl)n2)CCC(=O)N1Cc1ccccc1 ZINC000071753649 221364280 /nfs/dbraw/zinc/36/42/80/221364280.db2.gz QSZDJDNKGFVERI-SFHVURJKSA-N 1 2 357.885 3.748 50 0 FHAALO Cc1ccc(C2(c3noc(COc4ccc[nH+]c4N)n3)CCCC2)cc1 ZINC000072131880 221414761 /nfs/dbraw/zinc/41/47/61/221414761.db2.gz GWGQLCLLTJHRND-UHFFFAOYSA-N 1 2 350.422 3.794 50 0 FHAALO CCc1nc2c(ncnc2N2CCC[C@H](Cc3[nH]c4ccccc4[nH+]3)C2)o1 ZINC000077287767 132179871 /nfs/dbraw/zinc/17/98/71/132179871.db2.gz DLHWLOMPPVEROA-CYBMUJFWSA-N 1 2 362.437 3.516 50 0 FHAALO Cc1noc2nc(C)nc(N3CCC[C@H](c4[nH]c5c(cccc5C)[nH+]4)C3)c12 ZINC000077505685 132188414 /nfs/dbraw/zinc/18/84/14/132188414.db2.gz DJYOOWQCLXISJM-AWEZNQCLSA-N 1 2 362.437 3.803 50 0 FHAALO Cc1noc2nc(C)nc(N3CCC[C@H](c4[nH]c5cccc(C)c5[nH+]4)C3)c12 ZINC000077505685 132188417 /nfs/dbraw/zinc/18/84/17/132188417.db2.gz DJYOOWQCLXISJM-AWEZNQCLSA-N 1 2 362.437 3.803 50 0 FHAALO C[C@@H]1CCCN(c2ccccc2)N1C(=O)Cn1cc[nH+]c1-c1ccccc1 ZINC000092066378 132206071 /nfs/dbraw/zinc/20/60/71/132206071.db2.gz VKTOABWITVDBDW-GOSISDBHSA-N 1 2 360.461 3.983 50 0 FHAALO CC(C)c1nc(N(C)[C@@H]2CCCN(c3cccnn3)C2)cc(C(C)(C)C)[nH+]1 ZINC000170610850 132264840 /nfs/dbraw/zinc/26/48/40/132264840.db2.gz MSBIVTYQTHLLMZ-MRXNPFEDSA-N 1 2 368.529 3.793 50 0 FHAALO Cc1cnc([C@H]2CCCN(c3cc(C)[nH+]c(-c4ccncc4)n3)C2)s1 ZINC000225391318 132284419 /nfs/dbraw/zinc/28/44/19/132284419.db2.gz RTXBMFLPZXJCBA-INIZCTEOSA-N 1 2 351.479 3.996 50 0 FHAALO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(N2CCCCC2)cc1 ZINC000244795859 132291398 /nfs/dbraw/zinc/29/13/98/132291398.db2.gz ROSCXHGWLGXWKA-IBGZPJMESA-N 1 2 354.498 3.718 50 0 FHAALO FC(F)(F)c1ccc(N2CC[NH+](Cc3nc4ccccc4o3)CC2)nc1 ZINC000096845424 132377794 /nfs/dbraw/zinc/37/77/94/132377794.db2.gz UFTXHRFXPNYWNT-UHFFFAOYSA-N 1 2 362.355 3.564 50 0 FHAALO O=S(=O)(Nc1ccc([NH+]2CCCCC2)cc1)c1ccc(F)cc1F ZINC000001033513 132379593 /nfs/dbraw/zinc/37/95/93/132379593.db2.gz YTOMPAAKXQWAJC-UHFFFAOYSA-N 1 2 352.406 3.756 50 0 FHAALO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000034684641 136117996 /nfs/dbraw/zinc/11/79/96/136117996.db2.gz HJAZACCNHHKRNM-MRXNPFEDSA-N 1 2 357.885 3.798 50 0 FHAALO O=C(C[NH+]1CCN(c2cccc(Cl)c2)CC1)Nc1cccc(Cl)c1 ZINC000052537516 136124393 /nfs/dbraw/zinc/12/43/93/136124393.db2.gz QTCRHQARRNMWJO-UHFFFAOYSA-N 1 2 364.276 3.754 50 0 FHAALO Fc1ccc(N2CC[NH+](Cc3nnc(-c4ccccc4Cl)o3)CC2)cc1 ZINC000057350882 136128583 /nfs/dbraw/zinc/12/85/83/136128583.db2.gz SNHGMEXKJDIVQD-UHFFFAOYSA-N 1 2 372.831 3.851 50 0 FHAALO O=C1CCCN1C1CCN(c2cc[nH+]c3c2cccc3C(F)(F)F)CC1 ZINC000071748242 136139971 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CCCc1nc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cs1 ZINC000097742892 222208268 /nfs/dbraw/zinc/20/82/68/222208268.db2.gz SHRNDTLVLMYHJI-UXBLZVDNSA-N 1 2 355.507 3.567 50 0 FHAALO CNc1cc(C)[nH+]c(-c2ccc(C(=O)N(C)[C@H](C)c3cccs3)cc2)n1 ZINC000426715858 263663210 /nfs/dbraw/zinc/66/32/10/263663210.db2.gz JONOCSQBROYBFE-CQSZACIVSA-N 1 2 366.490 3.810 50 0 FHAALO CC(C)c1ccc(NC(=O)[C@@H](C)[N@H+](C)C[C@H]2COc3ccccc3O2)cc1 ZINC000241946733 519837664 /nfs/dbraw/zinc/83/76/64/519837664.db2.gz UNLXENVQPRVAJI-APWZRJJASA-N 1 2 368.477 3.909 50 0 FHAALO CC(C)c1ccc(NC(=O)[C@@H](C)[N@@H+](C)C[C@H]2COc3ccccc3O2)cc1 ZINC000241946733 519837665 /nfs/dbraw/zinc/83/76/65/519837665.db2.gz UNLXENVQPRVAJI-APWZRJJASA-N 1 2 368.477 3.909 50 0 FHAALO CCCOc1cccc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000019922545 520445721 /nfs/dbraw/zinc/44/57/21/520445721.db2.gz FJGPTCNRXWTPNH-UHFFFAOYSA-N 1 2 354.450 3.560 50 0 FHAALO CCCc1nc(C(=O)N2CCC[C@@H](c3[nH+]ccn3CC3CC3)C2)cs1 ZINC000082138365 521476272 /nfs/dbraw/zinc/47/62/72/521476272.db2.gz RJKIGUINSDMBIZ-OAHLLOKOSA-N 1 2 358.511 3.722 50 0 FHAALO Cc1ccc(C[NH+]2CCN(C(=O)c3cc(-c4ccccc4)on3)CC2)cc1 ZINC000020028638 524456400 /nfs/dbraw/zinc/45/64/00/524456400.db2.gz AGJASCOXZWPFQV-UHFFFAOYSA-N 1 2 361.445 3.608 50 0 FHAALO Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N1CCC(c2[nH+]ccn2C)CC1 ZINC000091665149 524907441 /nfs/dbraw/zinc/90/74/41/524907441.db2.gz INQWFFCXMYQDIF-AWEZNQCLSA-N 1 2 361.873 3.555 50 0 FHAALO Cc1cc(C(=O)N2CCC(c3[nH+]ccn3Cc3cccnc3)CC2)cs1 ZINC000091626192 526240947 /nfs/dbraw/zinc/24/09/47/526240947.db2.gz JPKFKZQDRJCXOF-UHFFFAOYSA-N 1 2 366.490 3.716 50 0 FHAALO O=C(NCCCn1cc[nH+]c1-c1ccccc1)NCc1ccc(F)cc1 ZINC000085555150 526291264 /nfs/dbraw/zinc/29/12/64/526291264.db2.gz CCRPAFJDATVYRA-UHFFFAOYSA-N 1 2 352.413 3.579 50 0 FHAALO O=C(CCc1ccc(F)cc1)N1CCC[C@H](c2[nH+]ccn2CC2CC2)C1 ZINC000082087443 526589101 /nfs/dbraw/zinc/58/91/01/526589101.db2.gz FEBLXXDPQYTBIM-SFHVURJKSA-N 1 2 355.457 3.771 50 0 FHAALO O=C(c1ccc2ncsc2c1)N1CCC[C@H](c2[nH+]ccn2CC2CC2)C1 ZINC000082146475 526740138 /nfs/dbraw/zinc/74/01/38/526740138.db2.gz YANWUUZSJWMLTK-INIZCTEOSA-N 1 2 366.490 3.923 50 0 FHAALO O=C(c1cccc(-c2[nH]cc[nH+]2)c1)N1CC(Oc2ccccc2Cl)C1 ZINC000082099697 526746815 /nfs/dbraw/zinc/74/68/15/526746815.db2.gz DGZFZPRIUHWPDF-UHFFFAOYSA-N 1 2 353.809 3.634 50 0 FHAALO O=C1CN(Cc2c[nH+]c(CC3CCCC3)[nH]2)CCN1c1ccccc1Cl ZINC000082087632 527002078 /nfs/dbraw/zinc/00/20/78/527002078.db2.gz VPGXQGLYTMCUIK-UHFFFAOYSA-N 1 2 372.900 3.645 50 0 FHAALO O=C1CN(Cc2c[nH]c(CC3CCCC3)[nH+]2)CCN1c1ccccc1Cl ZINC000082087632 527002085 /nfs/dbraw/zinc/00/20/85/527002085.db2.gz VPGXQGLYTMCUIK-UHFFFAOYSA-N 1 2 372.900 3.645 50 0 FHAALO O=C(NC1CCCCC1)N1CCC[C@@H](c2[nH+]ccn2Cc2ccncc2)C1 ZINC000091624622 527512828 /nfs/dbraw/zinc/51/28/28/527512828.db2.gz YKZQBOOZYFCTDA-GOSISDBHSA-N 1 2 367.497 3.548 50 0 FHAALO CC(C)c1cc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)nn1C(C)(C)C ZINC000044525550 535360495 /nfs/dbraw/zinc/36/04/95/535360495.db2.gz 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CCOc1ccc(C[N@@H+]2CCc3[nH]c4c(cccc4C)c3C2)cc1CO ZINC000215486165 568073086 /nfs/dbraw/zinc/07/30/86/568073086.db2.gz QHJWGFCPLSPSNE-UHFFFAOYSA-N 1 2 350.462 3.926 50 0 FHAALO CCOc1ccc(C[N@H+]2CCc3[nH]c4c(cccc4C)c3C2)cc1CO ZINC000215486165 568073087 /nfs/dbraw/zinc/07/30/87/568073087.db2.gz QHJWGFCPLSPSNE-UHFFFAOYSA-N 1 2 350.462 3.926 50 0 FHAALO Cc1cc(C)c(NC(=O)C[N@@H+](C)Cc2ccc3c(c2)OCO3)c(Cl)c1 ZINC000007641718 568249684 /nfs/dbraw/zinc/24/96/84/568249684.db2.gz QQZPOPWIPTZXDX-UHFFFAOYSA-N 1 2 360.841 3.756 50 0 FHAALO Cc1cc(C)c(NC(=O)C[N@H+](C)Cc2ccc3c(c2)OCO3)c(Cl)c1 ZINC000007641718 568249685 /nfs/dbraw/zinc/24/96/85/568249685.db2.gz QQZPOPWIPTZXDX-UHFFFAOYSA-N 1 2 360.841 3.756 50 0 FHAALO C[NH+](C)Cc1csc(CN2CCC[N@H+](Cc3cccc(F)c3)CC2)c1 ZINC000219043806 568263468 /nfs/dbraw/zinc/26/34/68/568263468.db2.gz DNXMTAHYMQAJOW-UHFFFAOYSA-N 1 2 361.530 3.657 50 0 FHAALO CC(C)c1cc([C@H]2CCCN2C(=O)CC2=CSC3=[NH+]CCCN23)no1 ZINC000219908164 568310903 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COc1ccc2c(cc(C(=O)N[C@H](Cn3cc[nH+]c3)c3ccccc3)n2C)c1 ZINC000091849375 570440965 /nfs/dbraw/zinc/44/09/65/570440965.db2.gz GZLOHJDOCVFGGT-LJQANCHMSA-N 1 2 374.444 3.555 50 0 FHAALO O=C(c1ccccn1)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccc(F)cc2Cl)C1 ZINC000092037538 570445614 /nfs/dbraw/zinc/44/56/14/570445614.db2.gz UMKKRXPQQHRIGL-RHSMWYFYSA-N 1 2 373.859 3.611 50 0 FHAALO O=C(c1ccccn1)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccc(F)cc2Cl)C1 ZINC000092037538 570445616 /nfs/dbraw/zinc/44/56/16/570445616.db2.gz UMKKRXPQQHRIGL-RHSMWYFYSA-N 1 2 373.859 3.611 50 0 FHAALO Cc1ccc(C(=O)N2CCC(c3[nH+]ccn3CC3CCC3)CC2)cc1O ZINC000092062350 570446549 /nfs/dbraw/zinc/44/65/49/570446549.db2.gz PTFRQBAUASYNBU-UHFFFAOYSA-N 1 2 353.466 3.717 50 0 FHAALO COc1ccc2c(C)c(C(=O)N3CCC(c4[nH+]ccn4C)CC3)oc2c1 ZINC000092078262 570446940 /nfs/dbraw/zinc/44/69/40/570446940.db2.gz JOUYYGIODPZWMB-UHFFFAOYSA-N 1 2 353.422 3.503 50 0 FHAALO CCCCn1cc[nH+]c1C1CCN(C(=O)c2ccc3c(c2)ncn3C)CC1 ZINC000092080845 570447041 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CCCCn1cc[nH+]c1[C@H]1CCCN(C(=O)CCc2ccc(O)cc2)C1 ZINC000095361687 570454533 /nfs/dbraw/zinc/45/45/33/570454533.db2.gz QFIZMMBTHDMONH-SFHVURJKSA-N 1 2 355.482 3.728 50 0 FHAALO Cc1nc2c(c(NCc3c[nH+]cn3CC(C)C)n1)Cc1ccccc1OC2 ZINC000095512769 570466027 /nfs/dbraw/zinc/46/60/27/570466027.db2.gz PVIMJYIGRPXDIX-UHFFFAOYSA-N 1 2 363.465 3.733 50 0 FHAALO COc1ccccc1CCC(=O)N1CCC[C@H](c2[nH+]ccn2C(C)C)C1 ZINC000095524745 570468423 /nfs/dbraw/zinc/46/84/23/570468423.db2.gz DBEVDZORAFLOPK-SFHVURJKSA-N 1 2 355.482 3.811 50 0 FHAALO CCCN(C[C@H]1CCCO1)C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000095526320 570468905 /nfs/dbraw/zinc/46/89/05/570468905.db2.gz PAVNOWRKABRILX-OAHLLOKOSA-N 1 2 362.861 3.949 50 0 FHAALO CC(C)CCn1c2ccccc2[nH+]c1N1CCC[C@H](C(=O)NC2CC2)C1 ZINC000034906804 570559634 /nfs/dbraw/zinc/55/96/34/570559634.db2.gz REGDLLYIJGUFCK-INIZCTEOSA-N 1 2 354.498 3.577 50 0 FHAALO Cc1[nH]c2ccc(CNC(=O)N(Cc3cccnc3)CC(C)C)cc2[nH+]1 ZINC000584903991 570567390 /nfs/dbraw/zinc/56/73/90/570567390.db2.gz 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CCOc1cc([C@H]2N(C(C)=O)C[C@@H]3c4ccccc4CC[N@@H+]32)ccc1OC ZINC000005511650 570664989 /nfs/dbraw/zinc/66/49/89/570664989.db2.gz HQKMUKHHTVHRRJ-DENIHFKCSA-N 1 2 366.461 3.554 50 0 FHAALO CCOc1cc([C@H]2N(C(C)=O)C[C@@H]3c4ccccc4CC[N@H+]32)ccc1OC ZINC000005511650 570664992 /nfs/dbraw/zinc/66/49/92/570664992.db2.gz HQKMUKHHTVHRRJ-DENIHFKCSA-N 1 2 366.461 3.554 50 0 FHAALO CCCCc1[nH]c(CN2CCc3onc(-c4cccc(OC)c4)c3C2)c[nH+]1 ZINC000012317383 570736293 /nfs/dbraw/zinc/73/62/93/570736293.db2.gz NSONJTODYYKQBG-UHFFFAOYSA-N 1 2 366.465 3.974 50 0 FHAALO CCCCc1[nH]cc(CN2CCc3onc(-c4cccc(OC)c4)c3C2)[nH+]1 ZINC000012317383 570736296 /nfs/dbraw/zinc/73/62/96/570736296.db2.gz NSONJTODYYKQBG-UHFFFAOYSA-N 1 2 366.465 3.974 50 0 FHAALO O=C(CCCOc1ccc(Cl)cc1Cl)NCCCn1cc[nH+]c1 ZINC000013284737 570775997 /nfs/dbraw/zinc/77/59/97/570775997.db2.gz VWDIBKBXOACWRL-UHFFFAOYSA-N 1 2 356.253 3.555 50 0 FHAALO Cc1ccsc1C[N@@H+](C)[C@@H](C)c1nc(N)nc(Nc2ccccc2)n1 ZINC000032851013 570821763 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C[C@H](NC(=O)NCc1cc[nH+]c(N(C)C)c1)c1cccc(C(F)(F)F)c1 ZINC000047612219 570893213 /nfs/dbraw/zinc/89/32/13/570893213.db2.gz UKMPOVBERXELFW-LBPRGKRZSA-N 1 2 366.387 3.727 50 0 FHAALO Cc1cc(Cl)ccc1NC(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000045954078 570916482 /nfs/dbraw/zinc/91/64/82/570916482.db2.gz KGWFRBAUOYZTDH-AWEZNQCLSA-N 1 2 374.872 3.590 50 0 FHAALO COc1cc2c(cc1OC)C[N@@H+]([C@@H](C)c1nc(-c3cccs3)no1)CC2 ZINC000048362129 570951596 /nfs/dbraw/zinc/95/15/96/570951596.db2.gz MYBCKUPWCRQOPC-LBPRGKRZSA-N 1 2 371.462 3.935 50 0 FHAALO COc1cc2c(cc1OC)C[N@H+]([C@@H](C)c1nc(-c3cccs3)no1)CC2 ZINC000048362129 570951598 /nfs/dbraw/zinc/95/15/98/570951598.db2.gz MYBCKUPWCRQOPC-LBPRGKRZSA-N 1 2 371.462 3.935 50 0 FHAALO CC(C)(C)c1ccc(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000024207994 570973239 /nfs/dbraw/zinc/97/32/39/570973239.db2.gz ZTKBAFSQTDIOMS-OAQYLSRUSA-N 1 2 366.505 3.787 50 0 FHAALO C=C1c2ccccc2NC(=O)N1C[C@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000025065990 570990527 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/nfs/dbraw/zinc/33/24/22/571332422.db2.gz CMENPTNVFKAYDT-GDBMZVCRSA-N 1 2 351.487 3.735 50 0 FHAALO O=C(NCc1ccccc1-n1cc[nH+]c1)N1CC=C(c2ccccc2)CC1 ZINC000056894271 571342159 /nfs/dbraw/zinc/34/21/59/571342159.db2.gz GGXWASCHDDSVQV-UHFFFAOYSA-N 1 2 358.445 3.871 50 0 FHAALO O=c1c2ccccc2cnn1C[N@H+]1CCC[C@H]1Cc1ccccc1Cl ZINC000057103449 571342345 /nfs/dbraw/zinc/34/23/45/571342345.db2.gz OAPXWJWAIQHQRF-KRWDZBQOSA-N 1 2 353.853 3.715 50 0 FHAALO O=c1c2ccccc2cnn1C[N@@H+]1CCC[C@H]1Cc1ccccc1Cl ZINC000057103449 571342346 /nfs/dbraw/zinc/34/23/46/571342346.db2.gz OAPXWJWAIQHQRF-KRWDZBQOSA-N 1 2 353.853 3.715 50 0 FHAALO Cc1[nH]c2ccccc2c1C(=O)COC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000003306139 571347047 /nfs/dbraw/zinc/34/70/47/571347047.db2.gz RAQXMEIYUZVXHR-UHFFFAOYSA-N 1 2 361.401 3.561 50 0 FHAALO Cc1nn(C(C)C)c(C)c1C[N@H+](C)Cc1cc(C(N)=O)oc1C(C)(C)C ZINC000670445988 571350366 /nfs/dbraw/zinc/35/03/66/571350366.db2.gz RVWVJBHFFOMQMZ-UHFFFAOYSA-N 1 2 360.502 3.702 50 0 FHAALO Cc1nn(C(C)C)c(C)c1C[N@@H+](C)Cc1cc(C(N)=O)oc1C(C)(C)C ZINC000670445988 571350367 /nfs/dbraw/zinc/35/03/67/571350367.db2.gz RVWVJBHFFOMQMZ-UHFFFAOYSA-N 1 2 360.502 3.702 50 0 FHAALO C[NH+]1CCN(C(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)o2)CC1 ZINC000004185151 571356582 /nfs/dbraw/zinc/35/65/82/571356582.db2.gz URYQGEHNTLJGCY-UHFFFAOYSA-N 1 2 356.466 3.544 50 0 FHAALO CC1CCN(C(=O)Cn2c3ccccc3[nH+]c2NCc2ccccc2)CC1 ZINC000008012968 571358400 /nfs/dbraw/zinc/35/84/00/571358400.db2.gz MCGYKCFYFPRXMI-UHFFFAOYSA-N 1 2 362.477 3.907 50 0 FHAALO Cc1[nH+]c2ccccc2n1CCNC(=O)COc1ccc(Cl)c(C)c1 ZINC000008172939 571359667 /nfs/dbraw/zinc/35/96/67/571359667.db2.gz IQHLKLMFLYJKOW-UHFFFAOYSA-N 1 2 357.841 3.502 50 0 FHAALO COc1c(C)c[nH+]c(CN(C)C(=O)[C@H]2COc3ccc(Cl)cc3C2)c1C ZINC000332515094 945219936 /nfs/dbraw/zinc/21/99/36/945219936.db2.gz WNGXZEBWBUJWPI-OAHLLOKOSA-N 1 2 374.868 3.570 50 0 FHAALO c1cc(C[N@@H+]2CCc3[nH]nc(CC4CCCC4)c3C2)n(-c2cccnc2)c1 ZINC000023429262 940385646 /nfs/dbraw/zinc/38/56/46/940385646.db2.gz NOMRPEHUXQHPEP-UHFFFAOYSA-N 1 2 361.493 3.886 50 0 FHAALO c1cc(C[N@H+]2CCc3[nH]nc(CC4CCCC4)c3C2)n(-c2cccnc2)c1 ZINC000023429262 940385653 /nfs/dbraw/zinc/38/56/53/940385653.db2.gz NOMRPEHUXQHPEP-UHFFFAOYSA-N 1 2 361.493 3.886 50 0 FHAALO c1cc(C[N@@H+]2CCc3n[nH]c(CC4CCCC4)c3C2)n(-c2cccnc2)c1 ZINC000023429262 940385656 /nfs/dbraw/zinc/38/56/56/940385656.db2.gz NOMRPEHUXQHPEP-UHFFFAOYSA-N 1 2 361.493 3.886 50 0 FHAALO c1cc(C[N@H+]2CCc3n[nH]c(CC4CCCC4)c3C2)n(-c2cccnc2)c1 ZINC000023429262 940385662 /nfs/dbraw/zinc/38/56/62/940385662.db2.gz NOMRPEHUXQHPEP-UHFFFAOYSA-N 1 2 361.493 3.886 50 0 FHAALO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C(C)(C)c2ccc(Cl)cc2)C1 ZINC000120115042 942187481 /nfs/dbraw/zinc/18/74/81/942187481.db2.gz ANJVOWKZYBYTIB-OAHLLOKOSA-N 1 2 359.901 3.832 50 0 FHAALO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2ccc(OC(C)(C)C)cc2)C1 ZINC000120695584 945775117 /nfs/dbraw/zinc/77/51/17/945775117.db2.gz XOLQHFUBYNIUBH-INIZCTEOSA-N 1 2 355.482 3.692 50 0 FHAALO O=C(NC[C@@H](c1ccoc1)[NH+]1CCSCC1)c1ccc(F)cc1Cl ZINC000253408963 210215335 /nfs/dbraw/zinc/21/53/35/210215335.db2.gz ZDLBKUHXPGBTKR-INIZCTEOSA-N 1 2 368.861 3.592 50 0 FHAALO O=C(NC[C@H](c1ccoc1)[NH+]1CCSCC1)c1cccc2ccccc21 ZINC000253400414 210212890 /nfs/dbraw/zinc/21/28/90/210212890.db2.gz LFSRCJHEKXCOKJ-HXUWFJFHSA-N 1 2 366.486 3.953 50 0 FHAALO O=C(NC[C@@H](c1ccco1)[NH+]1CCSCC1)c1cccc2ccccc21 ZINC000253394163 210212335 /nfs/dbraw/zinc/21/23/35/210212335.db2.gz ANANNTODBFZNSI-IBGZPJMESA-N 1 2 366.486 3.953 50 0 FHAALO CCc1ccc2nc(C)cc(C(=O)N3CCC[C@@H](c4[nH+]ccn4C)C3)c2c1 ZINC000215094762 222641008 /nfs/dbraw/zinc/64/10/08/222641008.db2.gz GZKZYACRFIEYDT-QGZVFWFLSA-N 1 2 362.477 3.859 50 0 FHAALO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)N1CCCC[C@H]1CCn1cccn1 ZINC000299796469 210036941 /nfs/dbraw/zinc/03/69/41/210036941.db2.gz OGFHENPTROMNRN-IBGZPJMESA-N 1 2 364.453 3.546 50 0 FHAALO CC(C)n1cc[nH+]c1-c1cccc(C(=O)N(C)C[C@@H](O)c2ccccc2)c1 ZINC000299774994 210022011 /nfs/dbraw/zinc/02/20/11/210022011.db2.gz KFYFGBSHQVWMQL-HXUWFJFHSA-N 1 2 363.461 3.937 50 0 FHAALO CCC[C@H](C)n1nccc1NC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000299765491 210015615 /nfs/dbraw/zinc/01/56/15/210015615.db2.gz HLAJUMQPVMKBSF-HNNXBMFYSA-N 1 2 361.515 3.655 50 0 FHAALO Cc1ccc(-n2cc[nH+]c2N2CCN(C(=O)/C=C\c3ccccc3)CC2)cc1 ZINC000011027476 219913234 /nfs/dbraw/zinc/91/32/34/219913234.db2.gz HYUFOULDSFDSLT-XFXZXTDPSA-N 1 2 372.472 3.543 50 0 FHAALO Cc1ccc(O[C@@H](C)C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2F)cc1 ZINC000012550416 220006598 /nfs/dbraw/zinc/00/65/98/220006598.db2.gz ZAWKCLMXAPRYLM-KXBFYZLASA-N 1 2 367.424 3.541 50 0 FHAALO CCOC(=O)c1sc2nc(C)nc(Nc3ccc(NC)[nH+]c3)c2c1C ZINC000058406791 212009556 /nfs/dbraw/zinc/00/95/56/212009556.db2.gz KVVXXFWWRZDJTH-UHFFFAOYSA-N 1 2 357.439 3.665 50 0 FHAALO Cc1cn2cc(NC(=O)CCc3c(C)nn(CC(C)C)c3C)ccc2[nH+]1 ZINC000058344668 212006349 /nfs/dbraw/zinc/00/63/49/212006349.db2.gz GOAFTCUSSAOYHZ-UHFFFAOYSA-N 1 2 353.470 3.683 50 0 FHAALO O=C(c1ccccc1F)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000019347615 220251463 /nfs/dbraw/zinc/25/14/63/220251463.db2.gz BNUPYQFAWATCEZ-UHFFFAOYSA-N 1 2 366.358 3.803 50 0 FHAALO C[N@H+](CCCOc1ccc(F)cc1)Cn1nc(C(C)(C)C)[nH]c1=S ZINC000029586239 211514864 /nfs/dbraw/zinc/51/48/64/211514864.db2.gz OEPAGYNBRAPSGX-UHFFFAOYSA-N 1 2 352.479 3.736 50 0 FHAALO C[N@@H+](CCCOc1ccc(F)cc1)Cn1nc(C(C)(C)C)[nH]c1=S ZINC000029586239 211514866 /nfs/dbraw/zinc/51/48/66/211514866.db2.gz OEPAGYNBRAPSGX-UHFFFAOYSA-N 1 2 352.479 3.736 50 0 FHAALO Cc1nc(-c2ccc(C[N@H+](C)CCC[C@@H]3CCCO3)cc2)[nH]c(=O)c1F ZINC000023478336 211390095 /nfs/dbraw/zinc/39/00/95/211390095.db2.gz NJSLYEITMDRHPX-QGZVFWFLSA-N 1 2 359.445 3.688 50 0 FHAALO Cc1nc(-c2ccc(C[N@@H+](C)CCC[C@@H]3CCCO3)cc2)[nH]c(=O)c1F ZINC000023478336 211390098 /nfs/dbraw/zinc/39/00/98/211390098.db2.gz NJSLYEITMDRHPX-QGZVFWFLSA-N 1 2 359.445 3.688 50 0 FHAALO Cc1nonc1[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccn(CCCF)n2)o1 ZINC000023428724 211388563 /nfs/dbraw/zinc/38/85/63/211388563.db2.gz CEGXOACSVNOKIM-INIZCTEOSA-N 1 2 359.405 3.531 50 0 FHAALO Cc1nonc1[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccn(CCCF)n2)o1 ZINC000023428724 211388569 /nfs/dbraw/zinc/38/85/69/211388569.db2.gz CEGXOACSVNOKIM-INIZCTEOSA-N 1 2 359.405 3.531 50 0 FHAALO CC(C)(C)OC(=O)N1CCC(C)(N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000023471850 211388704 /nfs/dbraw/zinc/38/87/04/211388704.db2.gz ADWDLBFPPGSCGZ-UHFFFAOYSA-N 1 2 373.541 3.594 50 0 FHAALO CCOc1ccc(C[N@@H+]2CCN(Cc3ccc(C)s3)C[C@@H]2CCO)cc1 ZINC000023372879 211386247 /nfs/dbraw/zinc/38/62/47/211386247.db2.gz VXPMMMFXVZFOIM-IBGZPJMESA-N 1 2 374.550 3.524 50 0 FHAALO CCOc1ccc(C[N@H+]2CCN(Cc3ccc(C)s3)C[C@@H]2CCO)cc1 ZINC000023372879 211386253 /nfs/dbraw/zinc/38/62/53/211386253.db2.gz VXPMMMFXVZFOIM-IBGZPJMESA-N 1 2 374.550 3.524 50 0 FHAALO OCCN1CC[NH+]([C@@H]2Cc3cc(Cl)ccc3Sc3ccccc32)CC1 ZINC000022863385 211368652 /nfs/dbraw/zinc/36/86/52/211368652.db2.gz BMQLWINJIGEDEK-GOSISDBHSA-N 1 2 374.937 3.698 50 0 FHAALO Clc1cccc(C[NH+]2CCN(Cc3nc(-c4cccs4)no3)CC2)c1 ZINC000022913714 211368534 /nfs/dbraw/zinc/36/85/34/211368534.db2.gz QUTUEEKZHJQYNJ-UHFFFAOYSA-N 1 2 374.897 3.769 50 0 FHAALO C[C@H](C(=O)N(C)c1ccccc1)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000022819542 211366130 /nfs/dbraw/zinc/36/61/30/211366130.db2.gz OVHAHXQASJIQTN-QGZVFWFLSA-N 1 2 371.912 3.509 50 0 FHAALO C[C@H](C(=O)N(C)c1ccccc1)[NH+]1CCN(Cc2cccc(Cl)c2)CC1 ZINC000022819542 211366134 /nfs/dbraw/zinc/36/61/34/211366134.db2.gz OVHAHXQASJIQTN-QGZVFWFLSA-N 1 2 371.912 3.509 50 0 FHAALO Cc1cccc(C(C)C)c1NC(=O)CN1CC[NH+](Cc2ccsc2)CC1 ZINC000022782985 211362560 /nfs/dbraw/zinc/36/25/60/211362560.db2.gz NVWNKPDFUYXWTI-UHFFFAOYSA-N 1 2 371.550 3.936 50 0 FHAALO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CCO[C@@H](C)C2)cc1 ZINC000022384979 211348960 /nfs/dbraw/zinc/34/89/60/211348960.db2.gz IQXRMCYGAGOEHW-KRWDZBQOSA-N 1 2 363.461 3.769 50 0 FHAALO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CCO[C@@H](C)C2)cc1 ZINC000022384979 211348966 /nfs/dbraw/zinc/34/89/66/211348966.db2.gz IQXRMCYGAGOEHW-KRWDZBQOSA-N 1 2 363.461 3.769 50 0 FHAALO O=C(c1cc2ccccc2cc1O)N1CC[NH+](Cc2cccs2)CC1 ZINC000021929647 211330081 /nfs/dbraw/zinc/33/00/81/211330081.db2.gz QQECKJXKQOEVKC-UHFFFAOYSA-N 1 2 352.459 3.565 50 0 FHAALO O=C(N[C@@H]1CCCc2ccccc21)C1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000021158572 211309113 /nfs/dbraw/zinc/30/91/13/211309113.db2.gz RCKDIFXWVDYDEC-LJQANCHMSA-N 1 2 374.488 3.973 50 0 FHAALO CC[N@H+](CCCNC(=O)c1cnc2onc(C(C)C)c2c1)c1ccccc1 ZINC000021407597 211313265 /nfs/dbraw/zinc/31/32/65/211313265.db2.gz JWPIIXHAVBDOEF-UHFFFAOYSA-N 1 2 366.465 3.993 50 0 FHAALO CC[N@@H+](CCCNC(=O)c1cnc2onc(C(C)C)c2c1)c1ccccc1 ZINC000021407597 211313269 /nfs/dbraw/zinc/31/32/69/211313269.db2.gz JWPIIXHAVBDOEF-UHFFFAOYSA-N 1 2 366.465 3.993 50 0 FHAALO Cc1cc(C)cc(NC(=S)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000020725828 211293719 /nfs/dbraw/zinc/29/37/19/211293719.db2.gz IRQQHPDFIITZHU-UHFFFAOYSA-N 1 2 355.507 3.945 50 0 FHAALO C[N@@H+](Cc1ccc(Cl)c(Cl)c1)CN1C(=O)CC2(CCCC2)C1=O ZINC000020632707 211292100 /nfs/dbraw/zinc/29/21/00/211292100.db2.gz DQIRTJYDNQFALP-UHFFFAOYSA-N 1 2 355.265 3.702 50 0 FHAALO C[N@H+](Cc1ccc(Cl)c(Cl)c1)CN1C(=O)CC2(CCCC2)C1=O ZINC000020632707 211292102 /nfs/dbraw/zinc/29/21/02/211292102.db2.gz DQIRTJYDNQFALP-UHFFFAOYSA-N 1 2 355.265 3.702 50 0 FHAALO c1ccc(-c2n[nH]c3c2C[N@H+](Cc2nc4c(s2)CCCC4)CC3)cc1 ZINC000020600533 211289275 /nfs/dbraw/zinc/28/92/75/211289275.db2.gz PCHOFQDKTSRNIQ-UHFFFAOYSA-N 1 2 350.491 3.970 50 0 FHAALO c1ccc(-c2n[nH]c3c2C[N@@H+](Cc2nc4c(s2)CCCC4)CC3)cc1 ZINC000020600533 211289277 /nfs/dbraw/zinc/28/92/77/211289277.db2.gz PCHOFQDKTSRNIQ-UHFFFAOYSA-N 1 2 350.491 3.970 50 0 FHAALO CCSc1nc2sc3c(c2c(N)n1)CC[N@H+](Cc1ccccc1)C3 ZINC000019830874 211257358 /nfs/dbraw/zinc/25/73/58/211257358.db2.gz LOQPXPATFSJJGH-UHFFFAOYSA-N 1 2 356.520 3.944 50 0 FHAALO CCSc1nc2sc3c(c2c(N)n1)CC[N@@H+](Cc1ccccc1)C3 ZINC000019830874 211257363 /nfs/dbraw/zinc/25/73/63/211257363.db2.gz LOQPXPATFSJJGH-UHFFFAOYSA-N 1 2 356.520 3.944 50 0 FHAALO CC[C@H](C)Oc1cccc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000019683070 211244148 /nfs/dbraw/zinc/24/41/48/211244148.db2.gz ZPAXSMSUYBQUIC-KRWDZBQOSA-N 1 2 368.477 3.948 50 0 FHAALO COc1ccccc1C[NH+]1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000019570448 211235376 /nfs/dbraw/zinc/23/53/76/211235376.db2.gz VEYNROXAAHCFBR-UHFFFAOYSA-N 1 2 360.457 3.806 50 0 FHAALO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)Cc1ccc(Br)s1 ZINC000019542378 211229704 /nfs/dbraw/zinc/22/97/04/211229704.db2.gz LDDDIHKKJIMYQT-YPMHNXCESA-N 1 2 359.333 3.637 50 0 FHAALO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)Cc1ccc(Br)s1 ZINC000019542378 211229707 /nfs/dbraw/zinc/22/97/07/211229707.db2.gz LDDDIHKKJIMYQT-YPMHNXCESA-N 1 2 359.333 3.637 50 0 FHAALO O=C1c2ccccc2C(=O)N1C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000019314347 211213876 /nfs/dbraw/zinc/21/38/76/211213876.db2.gz CXDUJZFFXVSCQH-UHFFFAOYSA-N 1 2 356.425 3.943 50 0 FHAALO OCC[C@H]1CN(Cc2cc3ccccc3o2)CC[N@@H+]1Cc1ccsc1 ZINC000019224290 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/nfs/dbraw/zinc/11/07/86/211110786.db2.gz IUWSLGISSDPHLA-OAHLLOKOSA-N 1 2 354.406 3.823 50 0 FHAALO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1cccs1)c1ccccc1Cl ZINC000014633322 211096480 /nfs/dbraw/zinc/09/64/80/211096480.db2.gz PQMFBTNNUXNYNT-HNNXBMFYSA-N 1 2 372.943 3.763 50 0 FHAALO C[N@H+](CN1C(=O)CC2(CCCC2)C1=O)C(c1ccccc1)c1ccccc1 ZINC000014198066 211083324 /nfs/dbraw/zinc/08/33/24/211083324.db2.gz HNTFJUQIAJTHEV-UHFFFAOYSA-N 1 2 362.473 3.985 50 0 FHAALO C[N@@H+](CN1C(=O)CC2(CCCC2)C1=O)C(c1ccccc1)c1ccccc1 ZINC000014198066 211083327 /nfs/dbraw/zinc/08/33/27/211083327.db2.gz HNTFJUQIAJTHEV-UHFFFAOYSA-N 1 2 362.473 3.985 50 0 FHAALO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)COc3cccc(F)c3)n2)C1 ZINC000014183709 211082624 /nfs/dbraw/zinc/08/26/24/211082624.db2.gz WZLOFPUDMJRKNX-ZDUSSCGKSA-N 1 2 363.458 3.532 50 0 FHAALO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)COc3cccc(F)c3)n2)C1 ZINC000014183709 211082627 /nfs/dbraw/zinc/08/26/27/211082627.db2.gz WZLOFPUDMJRKNX-ZDUSSCGKSA-N 1 2 363.458 3.532 50 0 FHAALO C[C@@H](NC(=O)c1ccc(C[NH+]2CCOCC2)cc1)c1ccc(Cl)cc1 ZINC000014140490 211076867 /nfs/dbraw/zinc/07/68/67/211076867.db2.gz CJZGGAWUGSRABN-OAHLLOKOSA-N 1 2 358.869 3.663 50 0 FHAALO Cc1cc(NC(=O)C[N@@H+](C)Cc2cccc(F)c2)n(-c2ccccc2C)n1 ZINC000012973242 211013613 /nfs/dbraw/zinc/01/36/13/211013613.db2.gz BQVLGCKVXXEJNI-UHFFFAOYSA-N 1 2 366.440 3.699 50 0 FHAALO Cc1cc(NC(=O)C[N@H+](C)Cc2cccc(F)c2)n(-c2ccccc2C)n1 ZINC000012973242 211013617 /nfs/dbraw/zinc/01/36/17/211013617.db2.gz BQVLGCKVXXEJNI-UHFFFAOYSA-N 1 2 366.440 3.699 50 0 FHAALO Cc1cc2[nH+]cn([C@H]3CC(=O)N(c4ccccc4Cl)C3=O)c2cc1C ZINC000001080836 210315293 /nfs/dbraw/zinc/31/52/93/210315293.db2.gz MKGKWPBBINDCBX-KRWDZBQOSA-N 1 2 353.809 3.811 50 0 FHAALO CCN(CCNC(=O)c1cc2c(s1)C[N@@H+](C1CC1)C2)c1cccc(C)c1 ZINC000065238921 221184183 /nfs/dbraw/zinc/18/41/83/221184183.db2.gz UYCSOQHOIUNEEQ-UHFFFAOYSA-N 1 2 369.534 3.791 50 0 FHAALO CCN(CCNC(=O)c1cc2c(s1)C[N@H+](C1CC1)C2)c1cccc(C)c1 ZINC000065238921 221184186 /nfs/dbraw/zinc/18/41/86/221184186.db2.gz UYCSOQHOIUNEEQ-UHFFFAOYSA-N 1 2 369.534 3.791 50 0 FHAALO Cc1cccc(C(C)C)c1NC(=O)C[NH2+][C@H](C)c1cn2ncsc2n1 ZINC000065371892 221204547 /nfs/dbraw/zinc/20/45/47/221204547.db2.gz IKYKKDCKUCXUDU-CYBMUJFWSA-N 1 2 357.483 3.512 50 0 FHAALO CCCCOc1ccc([C@@H]2CC(=O)NCc3[nH+]c4ccc(C)cn4c32)cc1 ZINC000065371609 221204718 /nfs/dbraw/zinc/20/47/18/221204718.db2.gz SVADIGUVOAUSOX-SFHVURJKSA-N 1 2 363.461 3.973 50 0 FHAALO Cc1cc([C@@H]2CCC[N@@H+]2Cc2cccc(C(=O)Nc3cccnc3)c2)no1 ZINC000065458062 221221712 /nfs/dbraw/zinc/22/17/12/221221712.db2.gz FQICLXACLHVGGJ-FQEVSTJZSA-N 1 2 362.433 3.967 50 0 FHAALO Cc1cc([C@@H]2CCC[N@H+]2Cc2cccc(C(=O)Nc3cccnc3)c2)no1 ZINC000065458062 221221715 /nfs/dbraw/zinc/22/17/15/221221715.db2.gz FQICLXACLHVGGJ-FQEVSTJZSA-N 1 2 362.433 3.967 50 0 FHAALO C[C@@H](Oc1ccccc1)c1nn2c(C[NH+]3CCCCCC3)nnc2s1 ZINC000067239885 221249829 /nfs/dbraw/zinc/24/98/29/221249829.db2.gz TVBKKRAVHPOJPV-CQSZACIVSA-N 1 2 357.483 3.702 50 0 FHAALO c1cc(CN2CCc3[nH+]c[nH]c3[C@H]2c2ccsc2)n(-c2ccccn2)c1 ZINC000067650636 221266604 /nfs/dbraw/zinc/26/66/04/221266604.db2.gz ZCRVGLOIDZMHSO-HXUWFJFHSA-N 1 2 361.474 3.805 50 0 FHAALO Cn1ccc([C@H]2CCCC[N@@H+]2Cc2cnc3c(-c4ccccc4)cnn3c2)n1 ZINC000067689300 221272068 /nfs/dbraw/zinc/27/20/68/221272068.db2.gz XQRGXPZTZDHERV-OAQYLSRUSA-N 1 2 372.476 3.857 50 0 FHAALO Cn1ccc([C@H]2CCCC[N@H+]2Cc2cnc3c(-c4ccccc4)cnn3c2)n1 ZINC000067689300 221272071 /nfs/dbraw/zinc/27/20/71/221272071.db2.gz XQRGXPZTZDHERV-OAQYLSRUSA-N 1 2 372.476 3.857 50 0 FHAALO Cc1cc(C)cc(C(=O)NCc2ccc[nH+]c2N(C)CCc2ccccn2)c1 ZINC000067879921 221299305 /nfs/dbraw/zinc/29/93/05/221299305.db2.gz ZTOGMLZJOCTSCW-UHFFFAOYSA-N 1 2 374.488 3.702 50 0 FHAALO Cc1ccc(-c2ccnc(N3Cc4cnc(C(C)(C)C)nc4C3)n2)c(C)[nH+]1 ZINC000067908423 221304268 /nfs/dbraw/zinc/30/42/68/221304268.db2.gz HUFAZUXXGSNLBF-UHFFFAOYSA-N 1 2 360.465 3.763 50 0 FHAALO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1cccc(OCCc2ccccc2)c1 ZINC000069510850 221326040 /nfs/dbraw/zinc/32/60/40/221326040.db2.gz KOSPOFQVNNVHNI-KRWDZBQOSA-N 1 2 364.449 3.715 50 0 FHAALO COc1ccc(OC)c(-c2nc(C[N@H+](C)Cc3c(C)noc3C)c(C)o2)c1 ZINC000071551996 221352044 /nfs/dbraw/zinc/35/20/44/221352044.db2.gz ASTQAJRBHMKHDB-UHFFFAOYSA-N 1 2 371.437 3.904 50 0 FHAALO COc1ccc(OC)c(-c2nc(C[N@@H+](C)Cc3c(C)noc3C)c(C)o2)c1 ZINC000071551996 221352048 /nfs/dbraw/zinc/35/20/48/221352048.db2.gz ASTQAJRBHMKHDB-UHFFFAOYSA-N 1 2 371.437 3.904 50 0 FHAALO COc1cc[nH+]c(CN2CCO[C@@H](c3ccc4cc(OC)ccc4c3)C2)c1 ZINC000071736174 221356218 /nfs/dbraw/zinc/35/62/18/221356218.db2.gz LEUGYTNVVIJHIV-JOCHJYFZSA-N 1 2 364.445 3.826 50 0 FHAALO COc1ccnc(C[N@@H+]2CCO[C@@H](c3ccc4cc(OC)ccc4c3)C2)c1 ZINC000071736174 221356220 /nfs/dbraw/zinc/35/62/20/221356220.db2.gz LEUGYTNVVIJHIV-JOCHJYFZSA-N 1 2 364.445 3.826 50 0 FHAALO COc1ccnc(C[N@H+]2CCO[C@@H](c3ccc4cc(OC)ccc4c3)C2)c1 ZINC000071736174 221356223 /nfs/dbraw/zinc/35/62/23/221356223.db2.gz LEUGYTNVVIJHIV-JOCHJYFZSA-N 1 2 364.445 3.826 50 0 FHAALO Cc1ccc(OC[C@@H]2CCCN(c3ccc(Cn4cc[nH+]c4)cn3)C2)cc1 ZINC000077555687 132189347 /nfs/dbraw/zinc/18/93/47/132189347.db2.gz NDIQBOMKTDMZHD-HXUWFJFHSA-N 1 2 362.477 3.930 50 0 FHAALO COc1ccc(N2CC[N@H+](Cc3oc4ccccc4c3C)[C@@H](C)C2=O)cc1 ZINC000215144520 132269586 /nfs/dbraw/zinc/26/95/86/132269586.db2.gz OKOHDLGVLJUDTN-INIZCTEOSA-N 1 2 364.445 3.987 50 0 FHAALO COc1ccc(N2CC[N@@H+](Cc3oc4ccccc4c3C)[C@@H](C)C2=O)cc1 ZINC000215144520 132269587 /nfs/dbraw/zinc/26/95/87/132269587.db2.gz OKOHDLGVLJUDTN-INIZCTEOSA-N 1 2 364.445 3.987 50 0 FHAALO COc1ccc(/C=C/C(=O)N2CCN(c3cccc[nH+]3)CC2)c2ccccc12 ZINC000002546451 132383760 /nfs/dbraw/zinc/38/37/60/132383760.db2.gz ZPHNQFGKRLKKFA-ZRDIBKRKSA-N 1 2 373.456 3.605 50 0 FHAALO O=C(C[NH+]1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(Cl)cc1 ZINC000052537382 136124515 /nfs/dbraw/zinc/12/45/15/136124515.db2.gz PMGJICCLPUXXRS-UHFFFAOYSA-N 1 2 364.276 3.754 50 0 FHAALO Cc1ccc2scc(N3CC[NH+](Cc4ccccc4)CC3)c(=O)c2c1 ZINC000056925374 136127960 /nfs/dbraw/zinc/12/79/60/136127960.db2.gz RLAVTFCDWFOZPI-UHFFFAOYSA-N 1 2 350.487 3.892 50 0 FHAALO O=C(C[NH+]1CCN(c2ccccc2F)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000058160702 136130541 /nfs/dbraw/zinc/13/05/41/136130541.db2.gz FVPZRROFGVUJKW-UHFFFAOYSA-N 1 2 356.485 3.733 50 0 FHAALO Cc1ccc(C(N)=O)c(N2CCC[C@@H](C(=O)c3ccc(Cl)cc3C)C2)[nH+]1 ZINC000071775669 136141106 /nfs/dbraw/zinc/14/11/06/136141106.db2.gz YPTDFXNKRNIABV-CQSZACIVSA-N 1 2 371.868 3.550 50 0 FHAALO CC(=O)Nc1ccc(/C=C\C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000096973317 222146094 /nfs/dbraw/zinc/14/60/94/222146094.db2.gz UUKCPQOHCIAAFT-QUVLDCBQSA-N 1 2 374.444 3.721 50 0 FHAALO COc1ccc(-c2n[nH]cc2C[N@H+](C)Cc2noc3c2CCCC3)cc1 ZINC000097547855 222190781 /nfs/dbraw/zinc/19/07/81/222190781.db2.gz SVGWKSUXJIGSBH-UHFFFAOYSA-N 1 2 352.438 3.584 50 0 FHAALO COc1ccc(-c2n[nH]cc2C[N@@H+](C)Cc2noc3c2CCCC3)cc1 ZINC000097547855 222190784 /nfs/dbraw/zinc/19/07/84/222190784.db2.gz SVGWKSUXJIGSBH-UHFFFAOYSA-N 1 2 352.438 3.584 50 0 FHAALO CN1CC[NH+](Cc2ccc(-c3cc(F)cc(C(F)(F)F)c3)nc2)CC1 ZINC000097698961 222207412 /nfs/dbraw/zinc/20/74/12/222207412.db2.gz ZDHUOXOLTWNZFK-UHFFFAOYSA-N 1 2 353.363 3.654 50 0 FHAALO CCCC[C@@H](c1cccnc1)N(C)C(=O)Cc1c[nH+]c2c(C)cccn12 ZINC000097732992 222208866 /nfs/dbraw/zinc/20/88/66/222208866.db2.gz LLNXPRHOIIVVJP-IBGZPJMESA-N 1 2 350.466 3.970 50 0 FHAALO CCN1CC[NH+](Cc2ccc(NC(=O)Nc3ccc(F)cc3F)cc2)CC1 ZINC000020154029 263379202 /nfs/dbraw/zinc/37/92/02/263379202.db2.gz ZCZIBDLUUZKLAO-UHFFFAOYSA-N 1 2 374.435 3.746 50 0 FHAALO CCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cc(-c3ccccc3)no2)C1 ZINC000091468519 523557614 /nfs/dbraw/zinc/55/76/14/523557614.db2.gz QGQWSRPYHUGLFD-MRXNPFEDSA-N 1 2 350.422 3.578 50 0 FHAALO CN1C[C@@H](n2cc[nH+]c2-c2cccc(OCc3ccccc3)c2)CCC1=O ZINC000082114778 524013467 /nfs/dbraw/zinc/01/34/67/524013467.db2.gz HZPMBLRURRJYQS-IBGZPJMESA-N 1 2 361.445 3.922 50 0 FHAALO COc1ccc(C[N@@H+]2CCCC[C@@H]2c2nccs2)cc1Cn1cncn1 ZINC000216356860 524026861 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COc1ccc2[nH]c(CCN(C)C(=O)C[C@H]3CCc4ccccc43)[nH+]c2c1 ZINC000091364752 525664554 /nfs/dbraw/zinc/66/45/54/525664554.db2.gz JUNBNZFBBOVDFV-MRXNPFEDSA-N 1 2 363.461 3.693 50 0 FHAALO COc1cccc(-c2ccc(C(=O)N3CCC[C@H](c4[nH+]ccn4C)C3)o2)c1 ZINC000082098605 525712938 /nfs/dbraw/zinc/71/29/38/525712938.db2.gz MKTILPTYKMQJAL-INIZCTEOSA-N 1 2 365.433 3.709 50 0 FHAALO C[C@@]1(c2ccccc2)CCCN(C(=O)c2cnc(C[NH+]3CCCC3)s2)C1 ZINC000091596125 525896810 /nfs/dbraw/zinc/89/68/10/525896810.db2.gz BPCCVLLUCUMYKG-OAQYLSRUSA-N 1 2 369.534 3.933 50 0 FHAALO C[C@H](c1cccc(F)c1)[NH+]1CCN([C@@H](C)c2nc(C(C)(C)C)no2)CC1 ZINC000089905216 526078778 /nfs/dbraw/zinc/07/87/78/526078778.db2.gz ALLZXAGNALPOLH-CABCVRRESA-N 1 2 360.477 3.946 50 0 FHAALO C[C@H](c1nc(C(C)(C)C)no1)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000089905218 526171853 /nfs/dbraw/zinc/17/18/53/526171853.db2.gz ALLZXAGNALPOLH-HUUCEWRRSA-N 1 2 360.477 3.946 50 0 FHAALO COc1cccc(NC(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000020274451 526188766 /nfs/dbraw/zinc/18/87/66/526188766.db2.gz LWMUOPMEFBYBBK-UHFFFAOYSA-N 1 2 359.857 3.698 50 0 FHAALO Cc1noc(C)c1CCC(=O)N1CCC(c2[nH+]ccn2CC2CCC2)CC1 ZINC000091505687 526484694 /nfs/dbraw/zinc/48/46/94/526484694.db2.gz YUSPVOANYUGLDB-UHFFFAOYSA-N 1 2 370.497 3.627 50 0 FHAALO O=C(c1ccc2ccccc2n1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000019859178 526735784 /nfs/dbraw/zinc/73/57/84/526735784.db2.gz DKMJDWSFMFLXHH-RMKNXTFCSA-N 1 2 357.457 3.706 50 0 FHAALO O=S(=O)(/C=C/c1ccccc1)N1CC[N@@H+](C2CC2)C[C@H]1c1ccccc1 ZINC000252518007 527158425 /nfs/dbraw/zinc/15/84/25/527158425.db2.gz XCTPFXAZVAAMGN-WMJZSHNHSA-N 1 2 368.502 3.508 50 0 FHAALO O=S(=O)(/C=C/c1ccccc1)N1CC[N@H+](C2CC2)C[C@H]1c1ccccc1 ZINC000252518007 527158429 /nfs/dbraw/zinc/15/84/29/527158429.db2.gz XCTPFXAZVAAMGN-WMJZSHNHSA-N 1 2 368.502 3.508 50 0 FHAALO CCCc1cc(N2CCC[C@H](Nc3ccc4c(c3)OCCO4)C2)nc(C)[nH+]1 ZINC000072133626 535397611 /nfs/dbraw/zinc/39/76/11/535397611.db2.gz VYXYWTIYMAVEST-SFHVURJKSA-N 1 2 368.481 3.590 50 0 FHAALO CCc1ccccc1NC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000033280304 535956394 /nfs/dbraw/zinc/95/63/94/535956394.db2.gz VOZHQDLCPHVBLR-UHFFFAOYSA-N 1 2 356.495 3.519 50 0 FHAALO CCc1[nH+]c(C)ccc1OCC(=O)N(C)Cc1cc(-c2ccccc2)on1 ZINC000216175212 568109858 /nfs/dbraw/zinc/10/98/58/568109858.db2.gz NNFJAALCLXTPKQ-UHFFFAOYSA-N 1 2 365.433 3.645 50 0 FHAALO C[C@@H](O)c1cc2n(n1)CCC[N@H+](Cc1ccc(-c3ccccc3F)o1)C2 ZINC000221216478 568392094 /nfs/dbraw/zinc/39/20/94/568392094.db2.gz IGVWOMROIUIIAF-CQSZACIVSA-N 1 2 355.413 3.741 50 0 FHAALO C[C@@H](O)c1cc2n(n1)CCC[N@@H+](Cc1ccc(-c3ccccc3F)o1)C2 ZINC000221216478 568392095 /nfs/dbraw/zinc/39/20/95/568392095.db2.gz IGVWOMROIUIIAF-CQSZACIVSA-N 1 2 355.413 3.741 50 0 FHAALO COc1cc(Br)c(C[NH2+][C@H](C)c2ccccn2)cc1OC ZINC000025359110 568547010 /nfs/dbraw/zinc/54/70/10/568547010.db2.gz IYSMDJPIDLQIBS-LLVKDONJSA-N 1 2 351.244 3.712 50 0 FHAALO O=C(Cn1cc[nH+]c1-c1ccccc1)NCc1coc(-c2ccccc2)n1 ZINC000091807462 570439377 /nfs/dbraw/zinc/43/93/77/570439377.db2.gz 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570462227 /nfs/dbraw/zinc/46/22/27/570462227.db2.gz PMCZXMFWCDUYIC-MRXNPFEDSA-N 1 2 363.465 3.579 50 0 FHAALO O=C(c1cccc(F)c1)N1CCC[C@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095499180 570462357 /nfs/dbraw/zinc/46/23/57/570462357.db2.gz HVSQUPALIPIAGX-HNNXBMFYSA-N 1 2 370.453 3.547 50 0 FHAALO COc1ccccc1CCC(=O)N1CCC(c2[nH+]ccn2C(C)C)CC1 ZINC000095501281 570462798 /nfs/dbraw/zinc/46/27/98/570462798.db2.gz YRNAMHPEOBBPOF-UHFFFAOYSA-N 1 2 355.482 3.811 50 0 FHAALO CC(C)n1cc[nH+]c1C1CCN(C(=O)CCc2ccc(N(C)C)cc2)CC1 ZINC000095506894 570464476 /nfs/dbraw/zinc/46/44/76/570464476.db2.gz WHCPWRCICAPVCZ-UHFFFAOYSA-N 1 2 368.525 3.869 50 0 FHAALO Cc1nc(C(=O)N2CCC(c3[nH+]ccn3Cc3ccccc3)CC2)cs1 ZINC000095515197 570466063 /nfs/dbraw/zinc/46/60/63/570466063.db2.gz JHGOQPJDZQYWJC-UHFFFAOYSA-N 1 2 366.490 3.716 50 0 FHAALO COc1ccc(C2(C(=O)N3CCC[C@H](c4[nH+]ccn4C)C3)CCCC2)cc1 ZINC000095518868 570467111 /nfs/dbraw/zinc/46/71/11/570467111.db2.gz LECKIECDOHLAGR-KRWDZBQOSA-N 1 2 367.493 3.647 50 0 FHAALO O=C(CCC(F)(F)F)N1CCC(c2[nH+]ccn2Cc2ccccc2)CC1 ZINC000095521812 570467459 /nfs/dbraw/zinc/46/74/59/570467459.db2.gz ULEZNGNEOYUZIW-UHFFFAOYSA-N 1 2 365.399 3.980 50 0 FHAALO CCn1cc[nH+]c1C1CCN(C(=O)c2c[nH]nc2C2CCCCC2)CC1 ZINC000097499666 570488289 /nfs/dbraw/zinc/48/82/89/570488289.db2.gz XEPPLMWSULQWCP-UHFFFAOYSA-N 1 2 355.486 3.694 50 0 FHAALO C[C@H](CCNC(=O)N1CCC(Cc2ccc(F)cc2)CC1)n1cc[nH+]c1 ZINC000584902312 570511259 /nfs/dbraw/zinc/51/12/59/570511259.db2.gz NIFMGYAJBOBGRL-MRXNPFEDSA-N 1 2 358.461 3.638 50 0 FHAALO Cc1ccc(-c2noc(CCC(=O)Nc3ccc(-n4cc[nH+]c4)cc3)n2)cc1 ZINC000023890124 570545184 /nfs/dbraw/zinc/54/51/84/570545184.db2.gz HVLWWPQLCFMJHI-UHFFFAOYSA-N 1 2 373.416 3.802 50 0 FHAALO COc1ccc(-c2csc(N3CCN(c4cccc[nH+]4)CC3)n2)cc1 ZINC000004581273 570596817 /nfs/dbraw/zinc/59/68/17/570596817.db2.gz ZMXKHFMOALVYCB-UHFFFAOYSA-N 1 2 352.463 3.540 50 0 FHAALO CN1CC(=O)Nc2cc(C(=O)Nc3ccc(Oc4cc[nH+]cc4)cc3)ccc21 ZINC000050805347 570617390 /nfs/dbraw/zinc/61/73/90/570617390.db2.gz MEUQKPRNOIDYLK-UHFFFAOYSA-N 1 2 374.400 3.515 50 0 FHAALO O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CCc2cc(Cl)ccc2C1 ZINC000252483137 570622174 /nfs/dbraw/zinc/62/21/74/570622174.db2.gz DVWTTZNWAFHOMK-UHFFFAOYSA-N 1 2 370.884 3.603 50 0 FHAALO CC[C@@H]1CCc2sc(C(=O)N3CCN(c4cccc[nH+]4)CC3)cc2C1 ZINC000006583334 570650146 /nfs/dbraw/zinc/65/01/46/570650146.db2.gz DYOPEMZKWFXHSP-OAHLLOKOSA-N 1 2 355.507 3.620 50 0 FHAALO O=C(N[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1)c1cc(C2CC2)on1 ZINC000011817291 570707581 /nfs/dbraw/zinc/70/75/81/570707581.db2.gz KLUIYHMFMOCVCF-MRXNPFEDSA-N 1 2 359.857 3.600 50 0 FHAALO O=C(N[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1)c1cc(C2CC2)on1 ZINC000011817291 570707583 /nfs/dbraw/zinc/70/75/83/570707583.db2.gz KLUIYHMFMOCVCF-MRXNPFEDSA-N 1 2 359.857 3.600 50 0 FHAALO O=C(Nc1ccc(-c2cscn2)cc1)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000011820478 570708241 /nfs/dbraw/zinc/70/82/41/570708241.db2.gz UPOIVBJKAPKDLB-IBGZPJMESA-N 1 2 364.474 3.808 50 0 FHAALO O=C(Nc1ccc(-c2cscn2)cc1)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000011820478 570708245 /nfs/dbraw/zinc/70/82/45/570708245.db2.gz UPOIVBJKAPKDLB-IBGZPJMESA-N 1 2 364.474 3.808 50 0 FHAALO Clc1ccc(-c2noc(C[NH+]3CCC(Oc4cccnc4)CC3)n2)cc1 ZINC000012201990 570727181 /nfs/dbraw/zinc/72/71/81/570727181.db2.gz IFOVIWOCIHZLGK-UHFFFAOYSA-N 1 2 370.840 3.828 50 0 FHAALO CC(C)Cc1cc(C[N@@H+]2CCC[C@](CO)(CCc3ccccc3)C2)n[nH]1 ZINC000012302356 570734444 /nfs/dbraw/zinc/73/44/44/570734444.db2.gz IDBHCLIRQMMABU-QFIPXVFZSA-N 1 2 355.526 3.816 50 0 FHAALO CC(C)Cc1cc(C[N@H+]2CCC[C@](CO)(CCc3ccccc3)C2)n[nH]1 ZINC000012302356 570734446 /nfs/dbraw/zinc/73/44/46/570734446.db2.gz IDBHCLIRQMMABU-QFIPXVFZSA-N 1 2 355.526 3.816 50 0 FHAALO CCOc1ccc(CCC2CC[NH+](CC(=O)Nc3nccs3)CC2)cc1 ZINC000012804031 570763915 /nfs/dbraw/zinc/76/39/15/570763915.db2.gz NBPVHKMUWSLRBQ-UHFFFAOYSA-N 1 2 373.522 3.825 50 0 FHAALO c1ccc(-c2nnc(C[N@@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)o2)cc1 ZINC000032665141 570767778 /nfs/dbraw/zinc/76/77/78/570767778.db2.gz PQHJLWDIACQKJA-KRWDZBQOSA-N 1 2 363.417 3.845 50 0 FHAALO c1ccc(-c2nnc(C[N@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)o2)cc1 ZINC000032665141 570767780 /nfs/dbraw/zinc/76/77/80/570767780.db2.gz PQHJLWDIACQKJA-KRWDZBQOSA-N 1 2 363.417 3.845 50 0 FHAALO CCc1sc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)cc1C ZINC000032930474 570871347 /nfs/dbraw/zinc/87/13/47/570871347.db2.gz MXLNZVZWKGPASU-GASCZTMLSA-N 1 2 373.522 3.558 50 0 FHAALO O=C(CC(c1ccccc1)c1ccccc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000018220284 570877192 /nfs/dbraw/zinc/87/71/92/570877192.db2.gz DDRKRWFAQXDQGA-UHFFFAOYSA-N 1 2 371.484 3.952 50 0 FHAALO O=S(=O)(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1cccs1 ZINC000047213406 570882911 /nfs/dbraw/zinc/88/29/11/570882911.db2.gz GEMYMYHZNBVWIQ-OAHLLOKOSA-N 1 2 370.927 3.517 50 0 FHAALO C[C@H](NC(=O)NCc1cc[nH+]c(N(C)C)c1)c1ccc2c(c1)CCCC2 ZINC000047612164 570893073 /nfs/dbraw/zinc/89/30/73/570893073.db2.gz HUVGWWPTVPAJMB-HNNXBMFYSA-N 1 2 352.482 3.587 50 0 FHAALO CSc1cccc(CN2CC[N@H+](Cc3ccccc3F)[C@@H](CCO)C2)c1 ZINC000019770544 570902383 /nfs/dbraw/zinc/90/23/83/570902383.db2.gz WXZGYIKRYJBXRY-IBGZPJMESA-N 1 2 374.525 3.616 50 0 FHAALO CSc1cccc(CN2CC[N@@H+](Cc3ccccc3F)[C@@H](CCO)C2)c1 ZINC000019770544 570902384 /nfs/dbraw/zinc/90/23/84/570902384.db2.gz WXZGYIKRYJBXRY-IBGZPJMESA-N 1 2 374.525 3.616 50 0 FHAALO Cc1cccc(OCCC(=O)NCc2cn3cc(Cl)ccc3[nH+]2)c1C ZINC000045341258 570907508 /nfs/dbraw/zinc/90/75/08/570907508.db2.gz DFUAMSJYWLGMPS-UHFFFAOYSA-N 1 2 357.841 3.690 50 0 FHAALO O=C(Nc1ccccc1-n1cc[nH+]c1)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000045940331 570915270 /nfs/dbraw/zinc/91/52/70/570915270.db2.gz HJOSSHMXUONKSF-GOSISDBHSA-N 1 2 363.417 3.682 50 0 FHAALO O=C(COc1coc(C[NH+]2CCCCC2)cc1=O)c1ccc(Cl)cc1 ZINC000049550410 570964086 /nfs/dbraw/zinc/96/40/86/570964086.db2.gz YTYBZVWTKRSLEX-UHFFFAOYSA-N 1 2 361.825 3.541 50 0 FHAALO CCOC(=O)c1ccsc1NC(=O)C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000024841666 570984367 /nfs/dbraw/zinc/98/43/67/570984367.db2.gz 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C[N@@H+](CC(=O)Nc1ccccc1Br)Cc1ccc(F)cc1 ZINC000003588380 571351353 /nfs/dbraw/zinc/35/13/53/571351353.db2.gz YUMHDXDYJWUBDP-UHFFFAOYSA-N 1 2 351.219 3.659 50 0 FHAALO C[N@@H+]1CCN(C(=O)CCC(=O)c2ccc(Cl)cc2)[C@H](c2ccccc2)C1 ZINC000030997331 571350207 /nfs/dbraw/zinc/35/02/07/571350207.db2.gz SPWIHTVYAMCPHO-IBGZPJMESA-N 1 2 370.880 3.818 50 0 FHAALO C[N@H+]1CCN(C(=O)CCC(=O)c2ccc(Cl)cc2)[C@H](c2ccccc2)C1 ZINC000030997331 571350208 /nfs/dbraw/zinc/35/02/08/571350208.db2.gz SPWIHTVYAMCPHO-IBGZPJMESA-N 1 2 370.880 3.818 50 0 FHAALO Nn1cc(-c2ccccc2)nc1SCc1cn2cc(Cl)ccc2[nH+]1 ZINC000004251796 571357256 /nfs/dbraw/zinc/35/72/56/571357256.db2.gz WTXPBWDYLXLOMT-UHFFFAOYSA-N 1 2 355.854 3.857 50 0 FHAALO CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2[nH+]cc3ccccn32)c1C ZINC000007985752 571358096 /nfs/dbraw/zinc/35/80/96/571358096.db2.gz PVRDYFYGAWLOQX-ZDUSSCGKSA-N 1 2 371.462 3.819 50 0 FHAALO CC(C)CCNC(=O)Cn1c2ccccc2[nH+]c1NCc1ccccc1 ZINC000007985744 571358119 /nfs/dbraw/zinc/35/81/19/571358119.db2.gz 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O=C1CC2(CCCC2)C(=O)N1C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000023763456 211397598 /nfs/dbraw/zinc/39/75/98/211397598.db2.gz JZLAEILDSNUEGC-OAHLLOKOSA-N 1 2 369.490 3.710 50 0 FHAALO Cc1ccccc1-c1noc(CN2CC[NH+](Cc3ccccc3F)CC2)n1 ZINC000023259367 211382657 /nfs/dbraw/zinc/38/26/57/211382657.db2.gz FSQVEEXPTIFZIB-UHFFFAOYSA-N 1 2 366.440 3.502 50 0 FHAALO C[C@@H]1c2cccc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c2O[C@H]1C ZINC000022696540 211361198 /nfs/dbraw/zinc/36/11/98/211361198.db2.gz ULQMHNYBKBCHFS-IRXDYDNUSA-N 1 2 350.462 3.529 50 0 FHAALO C[N@H+](Cc1ccccc1F)Cc1cc2c(cc1Br)OCCO2 ZINC000022745706 211363884 /nfs/dbraw/zinc/36/38/84/211363884.db2.gz HGAAFCNSSGQHIO-UHFFFAOYSA-N 1 2 366.230 3.991 50 0 FHAALO C[N@@H+](Cc1ccccc1F)Cc1cc2c(cc1Br)OCCO2 ZINC000022745706 211363888 /nfs/dbraw/zinc/36/38/88/211363888.db2.gz HGAAFCNSSGQHIO-UHFFFAOYSA-N 1 2 366.230 3.991 50 0 FHAALO CSc1nc2ccccc2n1C[NH+]1CCN(Cc2cccs2)CC1 ZINC000022793411 211362316 /nfs/dbraw/zinc/36/23/16/211362316.db2.gz 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C[N@H+](Cc1cc(C(=O)NCc2c(F)cccc2F)no1)Cc1ccccc1 ZINC000014965224 211107754 /nfs/dbraw/zinc/10/77/54/211107754.db2.gz IRUPERRFSIKFNN-UHFFFAOYSA-N 1 2 371.387 3.515 50 0 FHAALO C[N@@H+](Cc1cc(C(=O)NCc2c(F)cccc2F)no1)Cc1ccccc1 ZINC000014965224 211107760 /nfs/dbraw/zinc/10/77/60/211107760.db2.gz IRUPERRFSIKFNN-UHFFFAOYSA-N 1 2 371.387 3.515 50 0 FHAALO Cc1ccc(-n2cc(C[NH+]3CCOCC3)c(-c3ccc(F)cc3)n2)cc1 ZINC000014959530 211106280 /nfs/dbraw/zinc/10/62/80/211106280.db2.gz JHGFOTUOCOUMSL-UHFFFAOYSA-N 1 2 351.425 3.819 50 0 FHAALO COc1ccc(C(=O)C2CC[NH+](Cn3ccn(C4CC4)c3=S)CC2)cc1 ZINC000014122353 211075837 /nfs/dbraw/zinc/07/58/37/211075837.db2.gz RMRLKCGMPBGKLG-UHFFFAOYSA-N 1 2 371.506 3.915 50 0 FHAALO CC(=O)Nc1ccc(C(=O)[C@@H](C)[N@@H+](C)CCOc2cccc(Cl)c2)cc1 ZINC000014078841 211071452 /nfs/dbraw/zinc/07/14/52/211071452.db2.gz FGKHJVCLVYLLLE-CQSZACIVSA-N 1 2 374.868 3.880 50 0 FHAALO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCC(OCc2ccccc2)CC1 ZINC000014084777 211071438 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367.927 3.770 50 0 FHAALO Cc1cc([C@H]2CCC[N@@H+]2Cc2cccc(C(=O)Nc3cccnc3)c2)no1 ZINC000065458066 221222172 /nfs/dbraw/zinc/22/21/72/221222172.db2.gz FQICLXACLHVGGJ-HXUWFJFHSA-N 1 2 362.433 3.967 50 0 FHAALO Cc1cc([C@H]2CCC[N@H+]2Cc2cccc(C(=O)Nc3cccnc3)c2)no1 ZINC000065458066 221222174 /nfs/dbraw/zinc/22/21/74/221222174.db2.gz FQICLXACLHVGGJ-HXUWFJFHSA-N 1 2 362.433 3.967 50 0 FHAALO Cc1[nH]cc(-c2c(-c3ccccc3)ncn2C[C@@H](O)Cc2ccccc2)[nH+]1 ZINC000065397564 221211231 /nfs/dbraw/zinc/21/12/31/221211231.db2.gz LECJUPLVARUCMQ-IBGZPJMESA-N 1 2 358.445 3.852 50 0 FHAALO Cc1ccc(-c2nnc(C[NH2+]Cc3scnc3-c3ccccc3)o2)n1C ZINC000065507159 221228284 /nfs/dbraw/zinc/22/82/84/221228284.db2.gz MSRXLRHKAHZINR-UHFFFAOYSA-N 1 2 365.462 3.797 50 0 FHAALO c1cc(C[N@@H+]2CCC[C@H]2c2nc(-c3ccncc3)no2)n(-c2ccccc2)n1 ZINC000067447216 221253903 /nfs/dbraw/zinc/25/39/03/221253903.db2.gz NDKRKKGXNKKUBC-IBGZPJMESA-N 1 2 372.432 3.654 50 0 FHAALO c1cc(C[N@H+]2CCC[C@H]2c2nc(-c3ccncc3)no2)n(-c2ccccc2)n1 ZINC000067447216 221253907 /nfs/dbraw/zinc/25/39/07/221253907.db2.gz NDKRKKGXNKKUBC-IBGZPJMESA-N 1 2 372.432 3.654 50 0 FHAALO c1nc2c([nH]1)[C@@H](c1cnn(-c3ccccc3)c1)[N@H+](CCc1ccccc1)CC2 ZINC000067459393 221256543 /nfs/dbraw/zinc/25/65/43/221256543.db2.gz ZYKOKVQZUGKTQW-HSZRJFAPSA-N 1 2 369.472 3.786 50 0 FHAALO c1nc2c([nH]1)[C@@H](c1cnn(-c3ccccc3)c1)[N@@H+](CCc1ccccc1)CC2 ZINC000067459393 221256545 /nfs/dbraw/zinc/25/65/45/221256545.db2.gz ZYKOKVQZUGKTQW-HSZRJFAPSA-N 1 2 369.472 3.786 50 0 FHAALO c1nc2c([nH]1)[C@H](c1cnn(-c3ccccc3)c1)[N@H+](CCc1ccccc1)CC2 ZINC000067459389 221256576 /nfs/dbraw/zinc/25/65/76/221256576.db2.gz ZYKOKVQZUGKTQW-QHCPKHFHSA-N 1 2 369.472 3.786 50 0 FHAALO c1nc2c([nH]1)[C@H](c1cnn(-c3ccccc3)c1)[N@@H+](CCc1ccccc1)CC2 ZINC000067459389 221256580 /nfs/dbraw/zinc/25/65/80/221256580.db2.gz ZYKOKVQZUGKTQW-QHCPKHFHSA-N 1 2 369.472 3.786 50 0 FHAALO CCc1[nH]c(C)c(-c2c(-c3ccccc3)ncn2Cc2cnc(C)cn2)[nH+]1 ZINC000067688380 221271039 /nfs/dbraw/zinc/27/10/39/221271039.db2.gz 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COc1ccc2cc(-c3n[nH]cc3C[N@@H+](C)Cc3nc(C)c[nH]3)ccc2c1 ZINC000011936198 570712540 /nfs/dbraw/zinc/71/25/40/570712540.db2.gz KGBQEQVKQPWJLS-UHFFFAOYSA-N 1 2 361.449 3.902 50 0 FHAALO COc1ccc(-c2n[nH]cc2C[N@H+](C)[C@@H](C)c2nccs2)c(OC)c1 ZINC000012317601 570736263 /nfs/dbraw/zinc/73/62/63/570736263.db2.gz SIXHLVXENHLDBI-LBPRGKRZSA-N 1 2 358.467 3.743 50 0 FHAALO COc1ccc(-c2n[nH]cc2C[N@@H+](C)[C@@H](C)c2nccs2)c(OC)c1 ZINC000012317601 570736265 /nfs/dbraw/zinc/73/62/65/570736265.db2.gz SIXHLVXENHLDBI-LBPRGKRZSA-N 1 2 358.467 3.743 50 0 FHAALO Cc1cc(Cl)ccc1OCCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000013325989 570776177 /nfs/dbraw/zinc/77/61/77/570776177.db2.gz WPCSNHAKSIGXLI-UHFFFAOYSA-N 1 2 373.884 3.551 50 0 FHAALO O=C(NCc1cccnc1-n1cc[nH+]c1)c1ccc(Oc2ccccc2)cc1 ZINC000032777590 570795623 /nfs/dbraw/zinc/79/56/23/570795623.db2.gz WMQPHCLYOJWTQY-UHFFFAOYSA-N 1 2 370.412 3.990 50 0 FHAALO CC(C)(C)c1[nH]c2ccc(NC(=O)c3cccc(S(C)(=O)=O)c3)cc2[nH+]1 ZINC000032909863 570850123 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O=C(Nc1cccc(Cn2cc[nH+]c2)c1)c1cc(-c2cccs2)on1 ZINC000025179200 570991965 /nfs/dbraw/zinc/99/19/65/570991965.db2.gz NTZGJTVINUVYIG-UHFFFAOYSA-N 1 2 350.403 3.900 50 0 FHAALO CC(=O)c1cccc(OC[C@@H](O)C[NH+](Cc2ccco2)Cc2ccco2)c1 ZINC000025228678 570992464 /nfs/dbraw/zinc/99/24/64/570992464.db2.gz UBYKAOFDXRKTIU-SFHVURJKSA-N 1 2 369.417 3.517 50 0 FHAALO Cc1ccc(NC(=S)N[C@H](C)[C@H](c2ccccc2)[NH+]2CCOCC2)cc1 ZINC000025329498 570993848 /nfs/dbraw/zinc/99/38/48/570993848.db2.gz JTMQPHASPXIUHE-YLJYHZDGSA-N 1 2 369.534 3.743 50 0 FHAALO O=C(NC[C@H](c1cccs1)[NH+]1CCOCC1)Nc1ccccc1Cl ZINC000025436420 570995444 /nfs/dbraw/zinc/99/54/44/570995444.db2.gz BFDHJFRRBONXFK-OAHLLOKOSA-N 1 2 365.886 3.597 50 0 FHAALO CC[C@H](C)c1ccc([C@@H](O)C[NH+]2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000025571738 570997418 /nfs/dbraw/zinc/99/74/18/570997418.db2.gz VCECKLPMFIIXSX-LPHOPBHVSA-N 1 2 372.534 3.753 50 0 FHAALO CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccccc1)c1ccccc1Cl ZINC000025873737 571000979 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CCOc1cc(C[NH2+][C@H](c2nccn2C)c2ccc(F)cc2)ccc1OC ZINC000030644539 571048905 /nfs/dbraw/zinc/04/89/05/571048905.db2.gz LSHOQMMZOFFTGG-FQEVSTJZSA-N 1 2 369.440 3.846 50 0 FHAALO Cc1cc(NC(=O)[C@H](C)[NH+]2CCC(c3nc4ccccc4s3)CC2)no1 ZINC000008533049 571049811 /nfs/dbraw/zinc/04/98/11/571049811.db2.gz OVZZXWCNEVMZTJ-ZDUSSCGKSA-N 1 2 370.478 3.799 50 0 FHAALO CCc1[nH+]c2ccccc2n1CC(=O)Nc1nc(-c2cccnc2)cs1 ZINC000008725288 571057944 /nfs/dbraw/zinc/05/79/44/571057944.db2.gz OQGZVRFYMIMSRT-UHFFFAOYSA-N 1 2 363.446 3.756 50 0 FHAALO COc1nc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cc2ccccc21 ZINC000083915485 571059312 /nfs/dbraw/zinc/05/93/12/571059312.db2.gz ACZJIKUPCBPLRL-UHFFFAOYSA-N 1 2 362.364 3.821 50 0 FHAALO CC[C@H](C)CNC(=O)C[N@H+]1Cc2ccccc2O[C@H](c2ccccc2)C1 ZINC000039355369 571064342 /nfs/dbraw/zinc/06/43/42/571064342.db2.gz QXJJCLHDOFHKPN-UWJYYQICSA-N 1 2 352.478 3.785 50 0 FHAALO CC[C@H](C)CNC(=O)C[N@@H+]1Cc2ccccc2O[C@H](c2ccccc2)C1 ZINC000039355369 571064345 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O=C(Nc1ccc(-n2cc[nH+]c2)nc1)c1cc(-c2cccc(Cl)c2)on1 ZINC000084368062 571083654 /nfs/dbraw/zinc/08/36/54/571083654.db2.gz UXCADEWUSUOWOV-UHFFFAOYSA-N 1 2 365.780 3.828 50 0 FHAALO O=C(c1ccc(C[NH+]2CCOCC2)cc1)c1cccc(Br)c1 ZINC000043210838 571099633 /nfs/dbraw/zinc/09/96/33/571099633.db2.gz GKFMSGJEXMCFAH-UHFFFAOYSA-N 1 2 360.251 3.512 50 0 FHAALO O=C(Nc1ccccc1C[NH+]1CCOCC1)N[C@@H]1CCCc2ccccc21 ZINC000048146903 571108030 /nfs/dbraw/zinc/10/80/30/571108030.db2.gz WLQAYCUQNGRRFY-OAQYLSRUSA-N 1 2 365.477 3.718 50 0 FHAALO C[N@H+](Cc1cc(-c2ccncc2)no1)Cc1nc2cc(Cl)ccc2[nH]1 ZINC000244608553 571113881 /nfs/dbraw/zinc/11/38/81/571113881.db2.gz FEPBYJSVSJIZGR-UHFFFAOYSA-N 1 2 353.813 3.898 50 0 FHAALO C[N@@H+](Cc1cc(-c2ccncc2)no1)Cc1nc2cc(Cl)ccc2[nH]1 ZINC000244608553 571113884 /nfs/dbraw/zinc/11/38/84/571113884.db2.gz FEPBYJSVSJIZGR-UHFFFAOYSA-N 1 2 353.813 3.898 50 0 FHAALO CC(=O)c1cccc(NC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC000055058879 571115743 /nfs/dbraw/zinc/11/57/43/571115743.db2.gz 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3.592 50 0 FHAALO C[C@H](CCCC(C)(C)O)NC(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000299799003 210037246 /nfs/dbraw/zinc/03/72/46/210037246.db2.gz UFAZXTBZXJODQK-CYBMUJFWSA-N 1 2 364.877 3.977 50 0 FHAALO O=C(CCCC(=O)N1CCC(Oc2cc[nH+]cc2)CC1)c1ccccc1 ZINC000299790780 210032244 /nfs/dbraw/zinc/03/22/44/210032244.db2.gz BSHCEHHLNZUJBF-UHFFFAOYSA-N 1 2 352.434 3.505 50 0 FHAALO Cc1ccccc1Cn1nc(C[NH2+]Cc2ccccn2)c(-c2ccccc2)n1 ZINC000261492544 223074947 /nfs/dbraw/zinc/07/49/47/223074947.db2.gz HGCJXXLJSGKOPF-UHFFFAOYSA-N 1 2 369.472 3.987 50 0 FHAALO Cc1ccc(O[C@H](C)C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2F)cc1 ZINC000012550420 220006545 /nfs/dbraw/zinc/00/65/45/220006545.db2.gz ZAWKCLMXAPRYLM-DNVCBOLYSA-N 1 2 367.424 3.541 50 0 FHAALO CSc1ncc(C[N@@H+]2CCC[C@@H](C(=O)c3cccc(Cl)c3)C2)cn1 ZINC000059866846 212018041 /nfs/dbraw/zinc/01/80/41/212018041.db2.gz ORMBNYVJFOYNEL-OAHLLOKOSA-N 1 2 361.898 3.947 50 0 FHAALO CSc1ncc(C[N@H+]2CCC[C@@H](C(=O)c3cccc(Cl)c3)C2)cn1 ZINC000059866846 212018046 /nfs/dbraw/zinc/01/80/46/212018046.db2.gz ORMBNYVJFOYNEL-OAHLLOKOSA-N 1 2 361.898 3.947 50 0 FHAALO Cn1cc[nH+]c1[C@H](NC(=O)Nc1ccc(F)cc1F)c1cccc(F)c1 ZINC000012604135 220013938 /nfs/dbraw/zinc/01/39/38/220013938.db2.gz PNBZCXWDGAISOI-MRXNPFEDSA-N 1 2 360.339 3.749 50 0 FHAALO Cc1ccc(CNC(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000012772002 220027843 /nfs/dbraw/zinc/02/78/43/220027843.db2.gz KOMLWOSDCJRTTD-UHFFFAOYSA-N 1 2 357.885 3.676 50 0 FHAALO Cc1cccn2cc(-c3ccc(NC(=O)/C=C/c4cnn(C)c4)cc3)[nH+]c12 ZINC000058382949 212007819 /nfs/dbraw/zinc/00/78/19/212007819.db2.gz DOCWIDRKZIOEHF-BJMVGYQFSA-N 1 2 357.417 3.695 50 0 FHAALO CCC[N@@H+](Cc1noc(-c2cccs2)n1)C[C@H]1COc2ccccc2O1 ZINC000058413952 212008916 /nfs/dbraw/zinc/00/89/16/212008916.db2.gz YMBLXAACMYCARB-AWEZNQCLSA-N 1 2 371.462 3.850 50 0 FHAALO CCC[N@H+](Cc1noc(-c2cccs2)n1)C[C@H]1COc2ccccc2O1 ZINC000058413952 212008919 /nfs/dbraw/zinc/00/89/19/212008919.db2.gz YMBLXAACMYCARB-AWEZNQCLSA-N 1 2 371.462 3.850 50 0 FHAALO O=C(CCn1cc[nH+]c1)Nc1cccc(C(=O)Nc2cccc(Cl)c2)c1 ZINC000058222697 211997659 /nfs/dbraw/zinc/99/76/59/211997659.db2.gz KYYLZNAKLUBKHG-UHFFFAOYSA-N 1 2 368.824 3.818 50 0 FHAALO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)Nc1ccc(F)c(Cl)c1 ZINC000013324830 220064116 /nfs/dbraw/zinc/06/41/16/220064116.db2.gz BCICRISBGJTSML-UHFFFAOYSA-N 1 2 363.820 3.955 50 0 FHAALO CCOC(=O)N1CC[NH+](Cc2c[nH]nc2-c2cccc3ccccc32)CC1 ZINC000015962290 220173659 /nfs/dbraw/zinc/17/36/59/220173659.db2.gz JZYQOHPZVLRILW-UHFFFAOYSA-N 1 2 364.449 3.504 50 0 FHAALO Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000018087037 220223775 /nfs/dbraw/zinc/22/37/75/220223775.db2.gz QUJBLZHONMTAGT-GOSISDBHSA-N 1 2 352.478 3.627 50 0 FHAALO CC(C)c1noc(C[NH+]2CCC([C@@H]3CCCCCN3C(=O)C3CC3)CC2)n1 ZINC000069812678 211630722 /nfs/dbraw/zinc/63/07/22/211630722.db2.gz JHHOKRSSWVCEKN-SFHVURJKSA-N 1 2 374.529 3.586 50 0 FHAALO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@H+](C)CCOc1ccccc1Cl ZINC000023703135 211394933 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COc1cc2ccccc2cc1C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000022698954 211361392 /nfs/dbraw/zinc/36/13/92/211361392.db2.gz DOSAXZWGOZRKMN-UHFFFAOYSA-N 1 2 353.447 3.545 50 0 FHAALO COc1cc2ccccc2cc1C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000022698954 211361388 /nfs/dbraw/zinc/36/13/88/211361388.db2.gz DOSAXZWGOZRKMN-UHFFFAOYSA-N 1 2 353.447 3.545 50 0 FHAALO O=C(Nc1ccc(F)cc1)c1nnc(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)s1 ZINC000022893105 211367174 /nfs/dbraw/zinc/36/71/74/211367174.db2.gz UCEURENELBHAFF-ZIAGYGMSSA-N 1 2 374.485 3.942 50 0 FHAALO O=C(Nc1ccc(F)cc1)c1nnc(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)s1 ZINC000022893105 211367178 /nfs/dbraw/zinc/36/71/78/211367178.db2.gz UCEURENELBHAFF-ZIAGYGMSSA-N 1 2 374.485 3.942 50 0 FHAALO O=C(CSCc1ccc(Cl)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022229408 211342933 /nfs/dbraw/zinc/34/29/33/211342933.db2.gz FEMJWLDHWSZVGQ-UHFFFAOYSA-N 1 2 374.937 3.918 50 0 FHAALO COc1cccc(Nc2ncc3c(n2)CC[N@@H+](Cc2ccccc2F)C3)c1 ZINC000021639361 211318328 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Cc1ccc2occ(CN3CC[NH+](C/C=C/c4ccccc4)CC3)c(=O)c2c1 ZINC000019633622 211242174 /nfs/dbraw/zinc/24/21/74/211242174.db2.gz PSPAZEMLLONIQO-VMPITWQZSA-N 1 2 374.484 3.932 50 0 FHAALO Cc1ccc2occ(C[NH+]3CCN(C/C=C/c4ccccc4)CC3)c(=O)c2c1 ZINC000019633622 211242178 /nfs/dbraw/zinc/24/21/78/211242178.db2.gz PSPAZEMLLONIQO-VMPITWQZSA-N 1 2 374.484 3.932 50 0 FHAALO CCOc1ccc(C[NH+]2CCN(C/C=C/c3ccccc3)CC2)cc1OC ZINC000019358825 211218367 /nfs/dbraw/zinc/21/83/67/211218367.db2.gz QGZSTUPUNRZRNY-JXMROGBWSA-N 1 2 366.505 3.925 50 0 FHAALO C[C@H](NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000018048783 211189713 /nfs/dbraw/zinc/18/97/13/211189713.db2.gz JPGAMBDDWMXFDL-DJJJIMSYSA-N 1 2 367.836 3.707 50 0 FHAALO C[N@@H+]1CCc2nc(NC(=O)c3ccc(Cc4ccccc4)cc3)sc2C1 ZINC000016837660 211170517 /nfs/dbraw/zinc/17/05/17/211170517.db2.gz CQWPPSQQROUMLB-UHFFFAOYSA-N 1 2 363.486 3.974 50 0 FHAALO C[N@H+]1CCc2nc(NC(=O)c3ccc(Cc4ccccc4)cc3)sc2C1 ZINC000016837660 211170521 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O=C(Cc1ccc2c(c1)OCC2)NCCCCCc1[nH]c2ccccc2[nH+]1 ZINC000096118485 222032460 /nfs/dbraw/zinc/03/24/60/222032460.db2.gz CDJLEXTZHIEPGR-UHFFFAOYSA-N 1 2 363.461 3.570 50 0 FHAALO O=C(C1CC1)N(Cc1ccco1)Cc1[nH+]ccn1Cc1cccc(F)c1 ZINC000096206948 222076510 /nfs/dbraw/zinc/07/65/10/222076510.db2.gz KIXDJIFMMDBCCC-UHFFFAOYSA-N 1 2 353.397 3.602 50 0 FHAALO Cc1cccc(-n2nc(C3CC3)c(C(=O)N3CC[NH+](C)CC3)c2C(C)C)c1 ZINC000096207172 222076765 /nfs/dbraw/zinc/07/67/65/222076765.db2.gz LUBALHKSATXPGV-UHFFFAOYSA-N 1 2 366.509 3.569 50 0 FHAALO C[NH+](C)Cc1nc(COC(=O)/C=C\c2ccc(F)c(Cl)c2)cs1 ZINC000097046381 222155625 /nfs/dbraw/zinc/15/56/25/222155625.db2.gz DGGFDNCDMZHHQL-XQRVVYSFSA-N 1 2 354.834 3.754 50 0 FHAALO CCc1cc(NCCc2nc(-c3ccccc3)n[nH]2)nc(-c2ccncc2)[nH+]1 ZINC000097143611 222164673 /nfs/dbraw/zinc/16/46/73/222164673.db2.gz AKCYZBFMVNKRAW-UHFFFAOYSA-N 1 2 371.448 3.541 50 0 FHAALO O=C(O[C@H](c1cccc(F)c1)c1ccccn1)c1ccc(-n2cc[nH+]c2)nc1 ZINC000097164830 222166066 /nfs/dbraw/zinc/16/60/66/222166066.db2.gz FIYVMGXFKHHOOH-HXUWFJFHSA-N 1 2 374.375 3.748 50 0 FHAALO Cc1cccnc1C[NH+]1CCN(Cc2c(Cl)ccc(O)c2Cl)CC1 ZINC000097334140 222175737 /nfs/dbraw/zinc/17/57/37/222175737.db2.gz NSJAOXKDZGZTDM-UHFFFAOYSA-N 1 2 366.292 3.720 50 0 FHAALO COc1ccc(C[N@H+](C)Cc2cnc3ccccc3n2)c(Cl)c1OC ZINC000097660506 222204863 /nfs/dbraw/zinc/20/48/63/222204863.db2.gz CMDXFHLQRRJUQQ-UHFFFAOYSA-N 1 2 357.841 3.932 50 0 FHAALO COc1ccc(C[N@@H+](C)Cc2cnc3ccccc3n2)c(Cl)c1OC ZINC000097660506 222204866 /nfs/dbraw/zinc/20/48/66/222204866.db2.gz CMDXFHLQRRJUQQ-UHFFFAOYSA-N 1 2 357.841 3.932 50 0 FHAALO O=C(NC1CCCCCCC1)N(CCCn1cc[nH+]c1)Cc1cccnc1 ZINC000426602518 263642617 /nfs/dbraw/zinc/64/26/17/263642617.db2.gz NYBMJJRDMSJNLS-UHFFFAOYSA-N 1 2 369.513 3.993 50 0 FHAALO CCOc1ccc(NC(=O)N2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000020176825 521088362 /nfs/dbraw/zinc/08/83/62/521088362.db2.gz HVYILPVPOZCJIV-UHFFFAOYSA-N 1 2 357.429 3.574 50 0 FHAALO CCCc1cc(C(=O)N2CC[NH+](Cc3cccc(OC)c3)CC2)cs1 ZINC000020472672 521356697 /nfs/dbraw/zinc/35/66/97/521356697.db2.gz FGVHDLXSBGTVLP-UHFFFAOYSA-N 1 2 358.507 3.667 50 0 FHAALO CCc1ccccc1NC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1cscn1)C2 ZINC000091655828 521892033 /nfs/dbraw/zinc/89/20/33/521892033.db2.gz CSKRWSAGOGXAIW-MAUKXSAKSA-N 1 2 370.522 3.834 50 0 FHAALO CCc1ccccc1NC(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1cscn1)C2 ZINC000091655828 521892043 /nfs/dbraw/zinc/89/20/43/521892043.db2.gz CSKRWSAGOGXAIW-MAUKXSAKSA-N 1 2 370.522 3.834 50 0 FHAALO C[C@]1(c2ccccc2)CCCN(C(=O)c2cnc(C[NH+]3CCCC3)s2)C1 ZINC000091596124 525324087 /nfs/dbraw/zinc/32/40/87/525324087.db2.gz BPCCVLLUCUMYKG-NRFANRHFSA-N 1 2 369.534 3.933 50 0 FHAALO Cc1cc2[nH+]cn(C[C@H](NC(=O)[C@@H]3C[C@H]3c3cccnc3)C3CC3)c2cc1C ZINC000252670461 525685523 /nfs/dbraw/zinc/68/55/23/525685523.db2.gz KQNLUGSTSYPOAT-ZVDOUQERSA-N 1 2 374.488 3.747 50 0 FHAALO Cc1cc2[nH+]cn(C[C@H](NC(=O)[C@H]3C[C@H]3c3cccnc3)C3CC3)c2cc1C ZINC000252670460 525686068 /nfs/dbraw/zinc/68/60/68/525686068.db2.gz KQNLUGSTSYPOAT-ZJOUEHCJSA-N 1 2 374.488 3.747 50 0 FHAALO CSc1ccc(CC(=O)N2CCC(c3[nH+]ccn3CC3CC3)CC2)cc1 ZINC000082097029 525983592 /nfs/dbraw/zinc/98/35/92/525983592.db2.gz WAECEEKOLGEFAN-UHFFFAOYSA-N 1 2 369.534 3.964 50 0 FHAALO Cc1ccc(C(=O)N2CCC(c3[nH+]ccn3Cc3ccncc3)CC2)s1 ZINC000091585804 526088974 /nfs/dbraw/zinc/08/89/74/526088974.db2.gz FBTOKXAMUIEOOG-UHFFFAOYSA-N 1 2 366.490 3.716 50 0 FHAALO Cc1ccc(C(C)(C)CNC(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000078402259 526245401 /nfs/dbraw/zinc/24/54/01/526245401.db2.gz ABNHSGHDNQTMOI-UHFFFAOYSA-N 1 2 371.550 3.862 50 0 FHAALO O=C(CCc1ccc(F)cc1)N1CCC[C@@H](c2[nH+]ccn2CC2CC2)C1 ZINC000082087445 526587549 /nfs/dbraw/zinc/58/75/49/526587549.db2.gz FEBLXXDPQYTBIM-GOSISDBHSA-N 1 2 355.457 3.771 50 0 FHAALO O=C(c1ccc2ncsc2c1)N1CCC[C@@H](c2[nH+]ccn2CC2CC2)C1 ZINC000082146478 526739954 /nfs/dbraw/zinc/73/99/54/526739954.db2.gz YANWUUZSJWMLTK-MRXNPFEDSA-N 1 2 366.490 3.923 50 0 FHAALO O=C(CN1CC[NH+](C/C=C/c2ccccc2)CC1)Nc1cccc(Cl)c1 ZINC000020508736 526768286 /nfs/dbraw/zinc/76/82/86/526768286.db2.gz ZJVHZGSKWKWDHS-VMPITWQZSA-N 1 2 369.896 3.610 50 0 FHAALO O=C(CSCC1CC1)N1CCC[C@H](c2[nH+]ccn2Cc2ccccc2)C1 ZINC000082155767 527017403 /nfs/dbraw/zinc/01/74/03/527017403.db2.gz RHMCPVHCZKLMCJ-IBGZPJMESA-N 1 2 369.534 3.781 50 0 FHAALO O=C(Nc1ccc(F)cc1)c1nnc(C[N@@H+]2CC[C@@H]3CCCC[C@H]3C2)s1 ZINC000245284698 527205556 /nfs/dbraw/zinc/20/55/56/527205556.db2.gz UCEURENELBHAFF-KBPBESRZSA-N 1 2 374.485 3.942 50 0 FHAALO O=C(Nc1ccc(F)cc1)c1nnc(C[N@H+]2CC[C@@H]3CCCC[C@H]3C2)s1 ZINC000245284698 527205561 /nfs/dbraw/zinc/20/55/61/527205561.db2.gz UCEURENELBHAFF-KBPBESRZSA-N 1 2 374.485 3.942 50 0 FHAALO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)CSCc2ccccc2Cl)C1 ZINC000082097551 527456664 /nfs/dbraw/zinc/45/66/64/527456664.db2.gz RKVMDUMCRNWBNM-CQSZACIVSA-N 1 2 363.914 3.713 50 0 FHAALO O[C@@H](c1nc(CCCn2cc[nH+]c2)n(C2CCCCC2)n1)c1ccccc1 ZINC000091656922 527667581 /nfs/dbraw/zinc/66/75/81/527667581.db2.gz XLSILOHNZCUNAE-HXUWFJFHSA-N 1 2 365.481 3.694 50 0 FHAALO CCc1cccc(C)c1NC(=O)C[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000057364185 535864332 /nfs/dbraw/zinc/86/43/32/535864332.db2.gz JLTHSDVIHVSQFM-UHFFFAOYSA-N 1 2 365.521 3.935 50 0 FHAALO COc1ccccc1N1CC[NH+]([C@H](C)c2nnc(-c3cccs3)o2)CC1 ZINC000057452140 537070154 /nfs/dbraw/zinc/07/01/54/537070154.db2.gz OOHPUEPBSRSSHQ-CQSZACIVSA-N 1 2 370.478 3.690 50 0 FHAALO CN(Cc1cnc(N2CCCC2)s1)Cc1[nH+]ccn1Cc1ccccc1 ZINC000215229029 568059120 /nfs/dbraw/zinc/05/91/20/568059120.db2.gz PAVDSUZJBAFJGS-UHFFFAOYSA-N 1 2 367.522 3.620 50 0 FHAALO COCCc1noc([C@@H]2CCCC[N@@H+]2Cc2[nH]c3ccc(F)cc3c2C)n1 ZINC000215530317 568075496 /nfs/dbraw/zinc/07/54/96/568075496.db2.gz HVDZTCKWRYBLMS-SFHVURJKSA-N 1 2 372.444 3.915 50 0 FHAALO COCCc1noc([C@@H]2CCCC[N@H+]2Cc2[nH]c3ccc(F)cc3c2C)n1 ZINC000215530317 568075497 /nfs/dbraw/zinc/07/54/97/568075497.db2.gz HVDZTCKWRYBLMS-SFHVURJKSA-N 1 2 372.444 3.915 50 0 FHAALO Fc1ccc(-c2csc(CN3CC[NH+](Cc4cccnc4)CC3)n2)cc1 ZINC000216206298 568112391 /nfs/dbraw/zinc/11/23/91/568112391.db2.gz OHOYZBUPPYAZKZ-UHFFFAOYSA-N 1 2 368.481 3.662 50 0 FHAALO Fc1ccc(-c2csc(C[NH+]3CCN(Cc4cccnc4)CC3)n2)cc1 ZINC000216206298 568112392 /nfs/dbraw/zinc/11/23/92/568112392.db2.gz OHOYZBUPPYAZKZ-UHFFFAOYSA-N 1 2 368.481 3.662 50 0 FHAALO C[N@H+](Cc1nnc(-c2ccccc2)o1)Cc1ccccc1Cn1cccn1 ZINC000216332860 568118354 /nfs/dbraw/zinc/11/83/54/568118354.db2.gz WSBMUWDFPWCXQA-UHFFFAOYSA-N 1 2 359.433 3.613 50 0 FHAALO C[N@@H+](Cc1nnc(-c2ccccc2)o1)Cc1ccccc1Cn1cccn1 ZINC000216332860 568118355 /nfs/dbraw/zinc/11/83/55/568118355.db2.gz WSBMUWDFPWCXQA-UHFFFAOYSA-N 1 2 359.433 3.613 50 0 FHAALO O=C(NCC1(Cn2cc[nH+]c2)CC1)c1cc(C(F)(F)F)ccc1Cl ZINC000219544142 568286004 /nfs/dbraw/zinc/28/60/04/568286004.db2.gz RGETUIQWXFHBAT-UHFFFAOYSA-N 1 2 357.763 3.766 50 0 FHAALO O=C(NCc1ccccc1)[C@@H]1CCCN(c2[nH]c3ccc(Cl)cc3[nH+]2)C1 ZINC000033071398 568456675 /nfs/dbraw/zinc/45/66/75/568456675.db2.gz YRXDUKRERBEYIV-OAHLLOKOSA-N 1 2 368.868 3.749 50 0 FHAALO O=C(C[NH+]1Cc2ccccc2C1)N1CCCC[C@H]1CCc1cccc(O)c1 ZINC000223325482 568640291 /nfs/dbraw/zinc/64/02/91/568640291.db2.gz SHPQQONMSOJGGA-NRFANRHFSA-N 1 2 364.489 3.722 50 0 FHAALO Cn1cc[nH+]c1C1CCN(C(=O)c2ccc(-c3cccc(F)c3)nc2)CC1 ZINC000091931075 570442578 /nfs/dbraw/zinc/44/25/78/570442578.db2.gz ORPFUGICUPTXCN-UHFFFAOYSA-N 1 2 364.424 3.641 50 0 FHAALO Cc1ccc(C(=O)N2CCC[C@@H](c3[nH+]ccn3Cc3cccnc3)C2)cc1 ZINC000091997963 570444478 /nfs/dbraw/zinc/44/44/78/570444478.db2.gz ZFQKVVBAPZHPQC-HXUWFJFHSA-N 1 2 360.461 3.655 50 0 FHAALO CCc1[nH+]c2ccccc2n1[C@H](CC)C(=O)N(C)Cc1cccc(O)c1 ZINC000095358380 570453519 /nfs/dbraw/zinc/45/35/19/570453519.db2.gz WPUOCIKRUUANRN-GOSISDBHSA-N 1 2 351.450 3.914 50 0 FHAALO CC(C)n1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cn(C)c3ccccc23)C1 ZINC000095360917 570453935 /nfs/dbraw/zinc/45/39/35/570453935.db2.gz SAIOFYZJBZCAIC-MRXNPFEDSA-N 1 2 350.466 3.976 50 0 FHAALO CCc1[nH+]c2ccccc2n1[C@@H](CC)C(=O)N(C)Cc1c(C)noc1C ZINC000095365755 570454963 /nfs/dbraw/zinc/45/49/63/570454963.db2.gz CLYMVIULVJTPNP-KRWDZBQOSA-N 1 2 354.454 3.813 50 0 FHAALO CCCCn1cc[nH+]c1[C@H]1CCCN(C(=O)Cc2cccc(OC)c2)C1 ZINC000095371299 570456341 /nfs/dbraw/zinc/45/63/41/570456341.db2.gz QMLACBFHXTUAMC-SFHVURJKSA-N 1 2 355.482 3.641 50 0 FHAALO CC(C)n1cc[nH+]c1[C@@H]1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1 ZINC000095370151 570456368 /nfs/dbraw/zinc/45/63/68/570456368.db2.gz YHUXFDACPAGHOX-MRXNPFEDSA-N 1 2 350.466 3.894 50 0 FHAALO CC(C)[C@@H](NC(=O)c1ccc2nc(-c3ccccc3)cn2c1)c1[nH+]ccn1C ZINC000095375862 570457308 /nfs/dbraw/zinc/45/73/08/570457308.db2.gz NYIDDTNCZXFEAY-HXUWFJFHSA-N 1 2 373.460 3.862 50 0 FHAALO CC(C)[C@H](NC(=O)c1ccc2nc(-c3ccccc3)cn2c1)c1[nH+]ccn1C ZINC000095375861 570457321 /nfs/dbraw/zinc/45/73/21/570457321.db2.gz NYIDDTNCZXFEAY-FQEVSTJZSA-N 1 2 373.460 3.862 50 0 FHAALO Cc1cccc(C(=O)N2CCC[C@@H](c3[nH+]ccn3Cc3cscn3)C2)c1 ZINC000095376543 570457829 /nfs/dbraw/zinc/45/78/29/570457829.db2.gz MJAAMVHVIDMQOX-QGZVFWFLSA-N 1 2 366.490 3.716 50 0 FHAALO COc1ccc(F)cc1C(=O)N1CCC[C@@H](c2[nH+]ccn2CC2CCC2)C1 ZINC000095376318 570457954 /nfs/dbraw/zinc/45/79/54/570457954.db2.gz OQEHZNAMVSMHNA-MRXNPFEDSA-N 1 2 371.456 3.851 50 0 FHAALO CC(C)n1cc[nH+]c1[C@@H]1CCCN(C(=O)Cn2ccc3ccccc32)C1 ZINC000095387771 570460109 /nfs/dbraw/zinc/46/01/09/570460109.db2.gz VWBRNGUTZQMWHY-GOSISDBHSA-N 1 2 350.466 3.825 50 0 FHAALO Cc1ccccc1[C@H](C(=O)N(C)Cc1nc2ccc(Cl)cc2[nH]1)[NH+](C)C ZINC000095390801 570460640 /nfs/dbraw/zinc/46/06/40/570460640.db2.gz MHKCOVKXIQOLFH-LJQANCHMSA-N 1 2 370.884 3.786 50 0 FHAALO CC(C)n1cc[nH+]c1[C@H]1CCCN(C(=O)COc2ccc(Cl)cc2)C1 ZINC000095391711 570461305 /nfs/dbraw/zinc/46/13/05/570461305.db2.gz OVOCOEBBUZUZKJ-HNNXBMFYSA-N 1 2 361.873 3.902 50 0 FHAALO CCCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cccc(OC)c2OC)C1 ZINC000095524397 570468484 /nfs/dbraw/zinc/46/84/84/570468484.db2.gz HTWCGVNHDBTLSC-MRXNPFEDSA-N 1 2 371.481 3.720 50 0 FHAALO Cc1ccc2[nH+]c(COc3ccc(C(=O)NCc4ccco4)cc3)cn2c1 ZINC000011558961 570479515 /nfs/dbraw/zinc/47/95/15/570479515.db2.gz IPMDAOSZCSMWRE-UHFFFAOYSA-N 1 2 361.401 3.745 50 0 FHAALO CCCn1c2ccccc2[nH+]c1N1CCC[C@@H](C(=O)NCCC(C)C)C1 ZINC000034906647 570559597 /nfs/dbraw/zinc/55/95/97/570559597.db2.gz UPDUKBLCAVFPHF-QGZVFWFLSA-N 1 2 356.514 3.825 50 0 FHAALO C[C@H]1CCc2sc3ncnc(N4CCN(c5cccc[nH+]5)CC4)c3c2C1 ZINC000004289979 570583381 /nfs/dbraw/zinc/58/33/81/570583381.db2.gz NQQNCKPVJCXPHP-AWEZNQCLSA-N 1 2 365.506 3.538 50 0 FHAALO O=S(=O)(Cc1ccc(F)cc1)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000150795541 570595476 /nfs/dbraw/zinc/59/54/76/570595476.db2.gz JDUYPWIUJUHDNP-UHFFFAOYSA-N 1 2 359.426 3.911 50 0 FHAALO CNC(=O)C1=C(C)Nc2[nH+]c3ccccc3n2[C@H]1c1ccc(Cl)cc1 ZINC000004632156 570598166 /nfs/dbraw/zinc/59/81/66/570598166.db2.gz SWYRKAXGIYNBRW-KRWDZBQOSA-N 1 2 352.825 3.725 50 0 FHAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)N3CCC[C@@H]3C)csc2C1 ZINC000426552251 570615911 /nfs/dbraw/zinc/61/59/11/570615911.db2.gz FIEYNRPWFNNJRP-LBPRGKRZSA-N 1 2 359.495 3.536 50 0 FHAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)N3CCC[C@@H]3C)csc2C1 ZINC000426552251 570615914 /nfs/dbraw/zinc/61/59/14/570615914.db2.gz FIEYNRPWFNNJRP-LBPRGKRZSA-N 1 2 359.495 3.536 50 0 FHAALO CCc1ccccc1C(=O)N1CCC[C@H](Nc2ccc(N(C)C)[nH+]c2)CC1 ZINC000252482959 570622272 /nfs/dbraw/zinc/62/22/72/570622272.db2.gz DRDKOSAHZSFMBC-SFHVURJKSA-N 1 2 366.509 3.817 50 0 FHAALO CCCc1[nH]c2ccc(CCC(=O)Nc3ccc(C(=O)OC)cc3)cc2[nH+]1 ZINC000075465670 570632407 /nfs/dbraw/zinc/63/24/07/570632407.db2.gz NXCFRHREVCOJMI-UHFFFAOYSA-N 1 2 365.433 3.873 50 0 FHAALO CCCc1[nH]c2cc(CCC(=O)Nc3ccc(C(=O)OC)cc3)ccc2[nH+]1 ZINC000075465670 570632409 /nfs/dbraw/zinc/63/24/09/570632409.db2.gz NXCFRHREVCOJMI-UHFFFAOYSA-N 1 2 365.433 3.873 50 0 FHAALO O=c1c2cc(F)ccc2scc1N1CC[NH+](CCc2ccccc2)CC1 ZINC000005202652 570632847 /nfs/dbraw/zinc/63/28/47/570632847.db2.gz OJYWAFQLCWITLD-UHFFFAOYSA-N 1 2 368.477 3.765 50 0 FHAALO COc1ccccc1/C=C/C[NH+]1CCN(c2ccc(C(C)=O)cc2)CC1 ZINC000006667543 570651565 /nfs/dbraw/zinc/65/15/65/570651565.db2.gz 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3.532 50 0 FHAALO COc1ccc(-c2nn(-c3ccccc3F)cc2C[NH+]2CCOCC2)cc1 ZINC000015067476 220144072 /nfs/dbraw/zinc/14/40/72/220144072.db2.gz ZBBNMUGAUQOVOW-UHFFFAOYSA-N 1 2 367.424 3.519 50 0 FHAALO CCc1cccc(C)c1-n1nnnc1[C@H]1c2ccccc2CC(C)(C)[N@H+]1C ZINC000015415578 220153296 /nfs/dbraw/zinc/15/32/96/220153296.db2.gz GGQSUHMRIMMMGM-HXUWFJFHSA-N 1 2 361.493 3.889 50 0 FHAALO CCc1cccc(C)c1-n1nnnc1[C@H]1c2ccccc2CC(C)(C)[N@@H+]1C ZINC000015415578 220153300 /nfs/dbraw/zinc/15/33/00/220153300.db2.gz GGQSUHMRIMMMGM-HXUWFJFHSA-N 1 2 361.493 3.889 50 0 FHAALO CCCc1cc([C@H]2CCC[N@@H+]2Cc2cc(OC)c(OC)c(OC)c2)no1 ZINC000015866920 220170003 /nfs/dbraw/zinc/17/00/03/220170003.db2.gz XTLMAQWPLQZXTF-QGZVFWFLSA-N 1 2 360.454 3.990 50 0 FHAALO CCCc1cc([C@H]2CCC[N@H+]2Cc2cc(OC)c(OC)c(OC)c2)no1 ZINC000015866920 220170006 /nfs/dbraw/zinc/17/00/06/220170006.db2.gz XTLMAQWPLQZXTF-QGZVFWFLSA-N 1 2 360.454 3.990 50 0 FHAALO CCCc1cc([C@@H]2CCC[N@@H+]2Cc2cc(OC)c(OC)cc2OC)no1 ZINC000015866903 220170055 /nfs/dbraw/zinc/17/00/55/220170055.db2.gz AMOQNVMOMRRREU-KRWDZBQOSA-N 1 2 360.454 3.990 50 0 FHAALO CCCc1cc([C@@H]2CCC[N@H+]2Cc2cc(OC)c(OC)cc2OC)no1 ZINC000015866903 220170056 /nfs/dbraw/zinc/17/00/56/220170056.db2.gz AMOQNVMOMRRREU-KRWDZBQOSA-N 1 2 360.454 3.990 50 0 FHAALO Cc1ccc(C(=O)NC[C@H](c2cccnc2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000015882571 220171531 /nfs/dbraw/zinc/17/15/31/220171531.db2.gz CPWUXIFWTVBTHZ-HSZRJFAPSA-N 1 2 371.484 3.919 50 0 FHAALO Cc1ccc(C(=O)NC[C@H](c2cccnc2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000015882571 220171533 /nfs/dbraw/zinc/17/15/33/220171533.db2.gz CPWUXIFWTVBTHZ-HSZRJFAPSA-N 1 2 371.484 3.919 50 0 FHAALO Cc1ccc2c(CC(=O)Nc3nc4c(s3)C[N@H+](C)CC4)coc2c1C ZINC000016490256 220185659 /nfs/dbraw/zinc/18/56/59/220185659.db2.gz HUPMGFTYRIZGTD-UHFFFAOYSA-N 1 2 355.463 3.675 50 0 FHAALO Cc1ccc2c(CC(=O)Nc3nc4c(s3)C[N@@H+](C)CC4)coc2c1C ZINC000016490256 220185661 /nfs/dbraw/zinc/18/56/61/220185661.db2.gz HUPMGFTYRIZGTD-UHFFFAOYSA-N 1 2 355.463 3.675 50 0 FHAALO O=C(CSc1[nH+]cc2ccccn21)Nc1ccc(N2CCCC2)cc1 ZINC000017046692 220200600 /nfs/dbraw/zinc/20/06/00/220200600.db2.gz JKFAUZFUSJASLJ-UHFFFAOYSA-N 1 2 352.463 3.665 50 0 FHAALO O=C(NCCCn1cc[nH+]c1)[C@H](Sc1ccccc1)c1ccccc1 ZINC000017072960 220202851 /nfs/dbraw/zinc/20/28/51/220202851.db2.gz AMTLOQKNLRHRTI-LJQANCHMSA-N 1 2 351.475 3.923 50 0 FHAALO CCn1ncc(C[N@H+](C)Cc2csc(-c3ccc4c(c3)OCO4)n2)c1C ZINC000017075949 220204676 /nfs/dbraw/zinc/20/46/76/220204676.db2.gz SAEBPJRFDACSKB-UHFFFAOYSA-N 1 2 370.478 3.696 50 0 FHAALO CCn1ncc(C[N@@H+](C)Cc2csc(-c3ccc4c(c3)OCO4)n2)c1C ZINC000017075949 220204680 /nfs/dbraw/zinc/20/46/80/220204680.db2.gz SAEBPJRFDACSKB-UHFFFAOYSA-N 1 2 370.478 3.696 50 0 FHAALO Cc1ccc(C[NH+]2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)cc1 ZINC000017076361 220205879 /nfs/dbraw/zinc/20/58/79/220205879.db2.gz RAMOLUNKXDQXPB-UHFFFAOYSA-N 1 2 372.534 3.625 50 0 FHAALO Cc1nc2n(n1)C(=O)C([C@H](c1ccccc1)[N@@H+]1C[C@H](C)C[C@H](C)C1)S2 ZINC000017144222 220207614 /nfs/dbraw/zinc/20/76/14/220207614.db2.gz TWNXXGNDLYDOKC-ZENOOKHLSA-N 1 2 356.495 3.872 50 0 FHAALO Cc1nc2n(n1)C(=O)C([C@H](c1ccccc1)[N@H+]1C[C@H](C)C[C@H](C)C1)S2 ZINC000017144222 220207618 /nfs/dbraw/zinc/20/76/18/220207618.db2.gz TWNXXGNDLYDOKC-ZENOOKHLSA-N 1 2 356.495 3.872 50 0 FHAALO CCc1[nH+]c2ccccc2n1CC(=O)Nc1cccc(Br)c1 ZINC000017335008 220213526 /nfs/dbraw/zinc/21/35/26/220213526.db2.gz GLPUENWLIGAZTM-UHFFFAOYSA-N 1 2 358.239 4.000 50 0 FHAALO COc1cccc(C[NH+]2CCN(C/C=C/c3ccccc3)CC2)c1OC ZINC000019536494 220269797 /nfs/dbraw/zinc/26/97/97/220269797.db2.gz DWOCUGRAUJEHPE-JXMROGBWSA-N 1 2 352.478 3.535 50 0 FHAALO CC(C)Oc1cccc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000019683064 220286517 /nfs/dbraw/zinc/28/65/17/220286517.db2.gz DPYWJWDTECHSQN-UHFFFAOYSA-N 1 2 354.450 3.558 50 0 FHAALO [NH2+]=c1n(Cc2ccc(Cl)cc2)c2ccccc2n1C[C@@H](O)c1ccco1 ZINC000019707041 220289135 /nfs/dbraw/zinc/28/91/35/220289135.db2.gz SLBPOUTXKRGMHU-GOSISDBHSA-N 1 2 367.836 3.951 50 0 FHAALO O=C(Cc1ccc(Cl)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000019760241 220294797 /nfs/dbraw/zinc/29/47/97/220294797.db2.gz GYPVPAJHOZZMFS-QPJJXVBHSA-N 1 2 354.881 3.740 50 0 FHAALO O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000019792979 220295687 /nfs/dbraw/zinc/29/56/87/220295687.db2.gz MPDJKGCIVGWMSR-UHFFFAOYSA-N 1 2 364.367 3.790 50 0 FHAALO O=C(c1cccc(F)c1)N1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000019774019 220296695 /nfs/dbraw/zinc/29/66/95/220296695.db2.gz GXTNQFRAQLAQOB-UHFFFAOYSA-N 1 2 366.358 3.803 50 0 FHAALO COc1c2c(cc3c1[C@@H](CC(=O)c1ccc(Cl)cc1)[N@H+](C)CC3)OCO2 ZINC000019942988 220306881 /nfs/dbraw/zinc/30/68/81/220306881.db2.gz MBYDROYCUIVSIZ-OAHLLOKOSA-N 1 2 373.836 3.879 50 0 FHAALO COc1c2c(cc3c1[C@@H](CC(=O)c1ccc(Cl)cc1)[N@@H+](C)CC3)OCO2 ZINC000019942988 220306883 /nfs/dbraw/zinc/30/68/83/220306883.db2.gz MBYDROYCUIVSIZ-OAHLLOKOSA-N 1 2 373.836 3.879 50 0 FHAALO O=C(C(c1ccccc1)c1ccccc1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000020509452 220330915 /nfs/dbraw/zinc/33/09/15/220330915.db2.gz DGDLNQHLHXFOTN-UHFFFAOYSA-N 1 2 371.484 3.558 50 0 FHAALO Cc1cc(C)cc(NC(=O)N2CCN(c3[nH+]c4ccccc4n3C)CC2)c1 ZINC000021148243 220353529 /nfs/dbraw/zinc/35/35/29/220353529.db2.gz CJPINBIAZBDTKK-UHFFFAOYSA-N 1 2 363.465 3.544 50 0 FHAALO C[C@@H](CNC(=O)[C@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1)c1ccccc1 ZINC000021159113 220353925 /nfs/dbraw/zinc/35/39/25/220353925.db2.gz NPFPNHRAQYRJEU-WMZOPIPTSA-N 1 2 362.477 3.699 50 0 FHAALO Cc1cc(C(=O)CN2CC[NH+](Cc3ccsc3)CC2)c(C)n1C1CC1 ZINC000022801390 220398160 /nfs/dbraw/zinc/39/81/60/220398160.db2.gz ORLJZGMOTHIQOI-UHFFFAOYSA-N 1 2 357.523 3.502 50 0 FHAALO O=C(Nc1cccc(Cn2cc[nH+]c2)c1)c1ccccc1Br ZINC000025263882 220479389 /nfs/dbraw/zinc/47/93/89/220479389.db2.gz ZVGPUNKCGOYVID-UHFFFAOYSA-N 1 2 356.223 3.946 50 0 FHAALO COc1ccc([C@@H](CNc2nc3ccccc3s2)[NH+]2CCOCC2)cc1 ZINC000025370314 220483543 /nfs/dbraw/zinc/48/35/43/220483543.db2.gz XCDNXTSXBCSXJH-GOSISDBHSA-N 1 2 369.490 3.790 50 0 FHAALO C[N@H+](Cc1nc(Cc2ccccc2)no1)Cc1ccccc1N1CCCC1 ZINC000048234463 221001532 /nfs/dbraw/zinc/00/15/32/221001532.db2.gz DGWHAAFOXQURJY-UHFFFAOYSA-N 1 2 362.477 3.893 50 0 FHAALO C[N@@H+](Cc1nc(Cc2ccccc2)no1)Cc1ccccc1N1CCCC1 ZINC000048234463 221001534 /nfs/dbraw/zinc/00/15/34/221001534.db2.gz DGWHAAFOXQURJY-UHFFFAOYSA-N 1 2 362.477 3.893 50 0 FHAALO COc1ccc(C[N@H+](CCO)Cc2ccc(SC)cc2)c(Cl)c1O ZINC000055197177 221061319 /nfs/dbraw/zinc/06/13/19/221061319.db2.gz TXIJVISICJHMSQ-UHFFFAOYSA-N 1 2 367.898 3.771 50 0 FHAALO COc1ccc(C[N@@H+](CCO)Cc2ccc(SC)cc2)c(Cl)c1O ZINC000055197177 221061323 /nfs/dbraw/zinc/06/13/23/221061323.db2.gz TXIJVISICJHMSQ-UHFFFAOYSA-N 1 2 367.898 3.771 50 0 FHAALO CC[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(CSc2ccccn2)cc1 ZINC000055196895 221061641 /nfs/dbraw/zinc/06/16/41/221061641.db2.gz QOCVKYKWLKEOHN-GOSISDBHSA-N 1 2 366.490 3.779 50 0 FHAALO C[C@@H](C(=O)Nc1ncc(Cc2ccc(F)c(F)c2F)s1)n1cc[nH+]c1 ZINC000053281219 221045176 /nfs/dbraw/zinc/04/51/76/221045176.db2.gz ZACFQDIVZHALAM-VIFPVBQESA-N 1 2 366.368 3.547 50 0 FHAALO CCOc1ccccc1NC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000055058931 221056988 /nfs/dbraw/zinc/05/69/88/221056988.db2.gz ZPHSFXZFNMCVNB-DHZHZOJOSA-N 1 2 365.477 3.948 50 0 FHAALO Cc1ccc(NC(=O)C2CC[NH+](Cc3ncc(C(C)(C)C)o3)CC2)nc1 ZINC000058167663 221101361 /nfs/dbraw/zinc/10/13/61/221101361.db2.gz YVDGXVHEQCGBND-UHFFFAOYSA-N 1 2 356.470 3.526 50 0 FHAALO COc1ccc([C@H](NC(=O)NCc2cn3ccc(C)cc3[nH+]2)C(C)C)cc1 ZINC000058218793 221109183 /nfs/dbraw/zinc/10/91/83/221109183.db2.gz AHRCVNYBGMYEMX-HXUWFJFHSA-N 1 2 366.465 3.848 50 0 FHAALO COc1ccccc1/C=C/c1nn2c(C[NH+]3CCCCCC3)nnc2s1 ZINC000057524666 221090628 /nfs/dbraw/zinc/09/06/28/221090628.db2.gz VTVVUVOZSMFGCC-ZHACJKMWSA-N 1 2 369.494 3.741 50 0 FHAALO COc1ccc(CSc2nnc(SCc3[nH+]ccn3C)s2)cc1 ZINC000059337845 221124859 /nfs/dbraw/zinc/12/48/59/221124859.db2.gz SKHHYQKXRNLWKE-UHFFFAOYSA-N 1 2 364.521 3.865 50 0 FHAALO CCOC(=O)C1CC[NH+]([C@@H](C)C(=O)c2c(C)[nH]c3cc(C)ccc32)CC1 ZINC000059866373 221127316 /nfs/dbraw/zinc/12/73/16/221127316.db2.gz ZOTSXTWPWNFHMW-HNNXBMFYSA-N 1 2 356.466 3.631 50 0 FHAALO Cc1ccn2cc(C(=O)Nc3ccc(-n4cc[nH+]c4)c(Cl)c3)nc2c1 ZINC000058421796 221118388 /nfs/dbraw/zinc/11/83/88/221118388.db2.gz UNUFCHSZPDJWQL-UHFFFAOYSA-N 1 2 351.797 3.734 50 0 FHAALO O=C(Cc1cccc(Cl)c1)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000065172885 221175569 /nfs/dbraw/zinc/17/55/69/221175569.db2.gz ILVVOXHAGYQAKX-UHFFFAOYSA-N 1 2 357.885 3.974 50 0 FHAALO CCCn1cc[nH+]c1[C@@H]1CC(=O)Nc2cc(NC(=O)C(C)C)c(C)cc21 ZINC000065380311 221206566 /nfs/dbraw/zinc/20/65/66/221206566.db2.gz MZNDTMNWRAZBLK-OAHLLOKOSA-N 1 2 354.454 3.670 50 0 FHAALO Cc1ccc([C@@H](C)Cc2c(-c3ccccc3)[nH+]cn2CCS(C)(=O)=O)o1 ZINC000065465797 221223556 /nfs/dbraw/zinc/22/35/56/221223556.db2.gz XGILLUGNHBDJHP-HNNXBMFYSA-N 1 2 372.490 3.842 50 0 FHAALO CNc1[nH+]cccc1[C@@H]1C[C@H](NC(=O)c2ccccc2)C[C@H](C(C)C)O1 ZINC000065433911 221218814 /nfs/dbraw/zinc/21/88/14/221218814.db2.gz NPUOKVVHQQYMTC-QRQLOZEOSA-N 1 2 353.466 3.798 50 0 FHAALO Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000065489029 221224009 /nfs/dbraw/zinc/22/40/09/221224009.db2.gz VLPKLHLHIGEIRR-KRWDZBQOSA-N 1 2 351.450 3.917 50 0 FHAALO Cc1ccc(C)c(-c2nccn2C[C@H](c2ccncc2)[NH+]2CCOCC2)c1 ZINC000065507412 221228050 /nfs/dbraw/zinc/22/80/50/221228050.db2.gz RNGXXXLOPSFJHX-OAQYLSRUSA-N 1 2 362.477 3.635 50 0 FHAALO Cc1occc1C(=O)Nc1cccc(C(=O)Nc2c[nH+]c3n2CCCC3)c1 ZINC000067641044 221263358 /nfs/dbraw/zinc/26/33/58/221263358.db2.gz GMGTTXNNVIEZOU-UHFFFAOYSA-N 1 2 364.405 3.625 50 0 FHAALO C[C@H](CCNC(=O)c1csc2nc(-c3ccccc3)cn12)n1cc[nH+]c1 ZINC000067642060 221264740 /nfs/dbraw/zinc/26/47/40/221264740.db2.gz VTMXIHXVSHSVET-CQSZACIVSA-N 1 2 365.462 3.640 50 0 FHAALO Cn1cc([C@H]2c3[nH]cnc3CC[N@H+]2Cc2ccccc2-c2ccccc2)cn1 ZINC000067672956 221267537 /nfs/dbraw/zinc/26/75/37/221267537.db2.gz GSNGTSOOPGAXNC-QHCPKHFHSA-N 1 2 369.472 3.958 50 0 FHAALO Cn1cc([C@H]2c3[nH]cnc3CC[N@@H+]2Cc2ccccc2-c2ccccc2)cn1 ZINC000067672956 221267541 /nfs/dbraw/zinc/26/75/41/221267541.db2.gz GSNGTSOOPGAXNC-QHCPKHFHSA-N 1 2 369.472 3.958 50 0 FHAALO CC(C)c1cc(C2CCN(C(=O)c3ccccc3-c3[nH]cc[nH+]3)CC2)[nH]n1 ZINC000067805486 221288460 /nfs/dbraw/zinc/28/84/60/221288460.db2.gz CCVUPDVZLGCBBP-UHFFFAOYSA-N 1 2 363.465 3.943 50 0 FHAALO CC(C)N(Cc1[nH+]ccn1C)Cc1cnc2c(-c3ccccc3)cnn2c1 ZINC000067847624 221294465 /nfs/dbraw/zinc/29/44/65/221294465.db2.gz QJERWIJPRSLHPI-UHFFFAOYSA-N 1 2 360.465 3.540 50 0 FHAALO O=C1c2ccccc2C(=O)N1CCCc1[nH]c2cccc3cccc([nH+]1)c32 ZINC000068732075 221318360 /nfs/dbraw/zinc/31/83/60/221318360.db2.gz LBQWQASYZLTEKN-UHFFFAOYSA-N 1 2 355.397 3.945 50 0 FHAALO COc1ccc(C(=O)Nc2ccc(-c3cn4cccc(C)c4[nH+]3)cc2)cn1 ZINC000069371817 221325733 /nfs/dbraw/zinc/32/57/33/221325733.db2.gz SDPNFMSSLFOYAG-UHFFFAOYSA-N 1 2 358.401 3.966 50 0 FHAALO CSc1ccc(-c2nc(C[N@@H+]3CCc4nc(N)sc4C3)c(C)o2)cc1 ZINC000071765363 221373191 /nfs/dbraw/zinc/37/31/91/221373191.db2.gz VDBCVNZSHRAIGW-UHFFFAOYSA-N 1 2 372.519 3.969 50 0 FHAALO CSc1ccc(-c2nc(C[N@H+]3CCc4nc(N)sc4C3)c(C)o2)cc1 ZINC000071765363 221373194 /nfs/dbraw/zinc/37/31/94/221373194.db2.gz VDBCVNZSHRAIGW-UHFFFAOYSA-N 1 2 372.519 3.969 50 0 FHAALO Cc1ccccc1N1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H](C)C1 ZINC000077299795 132179701 /nfs/dbraw/zinc/17/97/01/132179701.db2.gz WRGKNKOLBJINQX-SFHVURJKSA-N 1 2 360.461 3.532 50 0 FHAALO CCc1nc2c(ncnc2N2CCC[C@H](c3[nH]c4c(cccc4C)[nH+]3)C2)o1 ZINC000077320555 132180288 /nfs/dbraw/zinc/18/02/88/132180288.db2.gz AHXSZODLLPNUDC-ZDUSSCGKSA-N 1 2 362.437 3.749 50 0 FHAALO CCc1nc2c(ncnc2N2CCC[C@H](c3[nH]c4cccc(C)c4[nH+]3)C2)o1 ZINC000077320555 132180289 /nfs/dbraw/zinc/18/02/89/132180289.db2.gz AHXSZODLLPNUDC-ZDUSSCGKSA-N 1 2 362.437 3.749 50 0 FHAALO CCc1nc2c(ncnc2N2CCC[C@@H](c3[nH]c4c(cccc4C)[nH+]3)C2)o1 ZINC000077320557 132180490 /nfs/dbraw/zinc/18/04/90/132180490.db2.gz AHXSZODLLPNUDC-CYBMUJFWSA-N 1 2 362.437 3.749 50 0 FHAALO CCc1nc2c(ncnc2N2CCC[C@@H](c3[nH]c4cccc(C)c4[nH+]3)C2)o1 ZINC000077320557 132180494 /nfs/dbraw/zinc/18/04/94/132180494.db2.gz AHXSZODLLPNUDC-CYBMUJFWSA-N 1 2 362.437 3.749 50 0 FHAALO CC1CCN(C(=O)C2CCN(c3[nH+]ccc4ccc(F)cc43)CC2)CC1 ZINC000089929937 132200492 /nfs/dbraw/zinc/20/04/92/132200492.db2.gz ZUKXSCFEZQOSCO-UHFFFAOYSA-N 1 2 355.457 3.849 50 0 FHAALO C[C@H]1CCCN(c2ccccc2)N1C(=O)Cn1cc[nH+]c1-c1ccccc1 ZINC000092066380 132205979 /nfs/dbraw/zinc/20/59/79/132205979.db2.gz VKTOABWITVDBDW-SFHVURJKSA-N 1 2 360.461 3.983 50 0 FHAALO COc1cccc2c1[nH+]cc(C)c2N1CCC[C@H](CNC(=O)C(C)C)C1 ZINC000252535729 132292874 /nfs/dbraw/zinc/29/28/74/132292874.db2.gz GRWIEPZQHXPWSL-MRXNPFEDSA-N 1 2 355.482 3.540 50 0 FHAALO Cc1ccc(NC(=O)C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1Cl ZINC000052537689 136124468 /nfs/dbraw/zinc/12/44/68/136124468.db2.gz SDWDMSGKPZVUEU-UHFFFAOYSA-N 1 2 361.848 3.548 50 0 FHAALO Cc1ccc(C)c(NC(=O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000055069382 136125827 /nfs/dbraw/zinc/12/58/27/136125827.db2.gz PGJOTUQQGLFTBG-UHFFFAOYSA-N 1 2 357.885 3.718 50 0 FHAALO Cc1ccc2occ(C[NH+]3CCN(c4ccccc4F)CC3)c(=O)c2c1 ZINC000055292265 136126460 /nfs/dbraw/zinc/12/64/60/136126460.db2.gz VKMAQASZMOYWFJ-UHFFFAOYSA-N 1 2 352.409 3.563 50 0 FHAALO COc1ccccc1N1CC[NH+](Cc2cc(Br)cs2)CC1 ZINC000055543889 136127023 /nfs/dbraw/zinc/12/70/23/136127023.db2.gz SOSWFAQZPKNLBA-UHFFFAOYSA-N 1 2 367.312 3.841 50 0 FHAALO C[C@@H](C(=O)N(C)Cc1ccccc1)[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000057024396 136128142 /nfs/dbraw/zinc/12/81/42/136128142.db2.gz KUSLWAACJMFAFO-KRWDZBQOSA-N 1 2 371.912 3.509 50 0 FHAALO Fc1ccc(N2CC[NH+](Cc3nc(-c4ccccc4Cl)no3)CC2)cc1 ZINC000057176052 136128220 /nfs/dbraw/zinc/12/82/20/136128220.db2.gz XQWJQNCAGZPWRM-UHFFFAOYSA-N 1 2 372.831 3.851 50 0 FHAALO Cc1ccc(NC(=O)C[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1F ZINC000058139170 136130439 /nfs/dbraw/zinc/13/04/39/136130439.db2.gz AESFXZGWLZIQAA-UHFFFAOYSA-N 1 2 361.848 3.548 50 0 FHAALO COc1cc(-c2[nH+]ccn2[C@@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1F ZINC000077503278 221637536 /nfs/dbraw/zinc/63/75/36/221637536.db2.gz 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Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)CC(=O)NC(=O)Nc1ccccc1 ZINC000089558930 526676966 /nfs/dbraw/zinc/67/69/66/526676966.db2.gz XQCBKIKMWVKOIZ-CQSZACIVSA-N 1 2 374.510 3.916 50 0 FHAALO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CC(=O)NC(=O)Nc1ccccc1 ZINC000089558930 526676970 /nfs/dbraw/zinc/67/69/70/526676970.db2.gz XQCBKIKMWVKOIZ-CQSZACIVSA-N 1 2 374.510 3.916 50 0 FHAALO O=C(CSCc1ccccc1)NCCCn1cc[nH+]c1-c1ccccc1 ZINC000085555092 527024422 /nfs/dbraw/zinc/02/44/22/527024422.db2.gz RLMILZHAQLBVEE-UHFFFAOYSA-N 1 2 365.502 3.990 50 0 FHAALO Cn1cc(C(=O)N2CCC(c3[nH+]ccn3CC3CC3)CC2)c2ccccc21 ZINC000082121309 527158931 /nfs/dbraw/zinc/15/89/31/527158931.db2.gz BLZSGSDJPYLYNF-UHFFFAOYSA-N 1 2 362.477 3.805 50 0 FHAALO Cc1ncc(C(=O)N2CCC[C@H](c3[nH+]ccn3Cc3ccccc3)C2)s1 ZINC000082137674 527229715 /nfs/dbraw/zinc/22/97/15/527229715.db2.gz FBSQUSCRZXBPBB-KRWDZBQOSA-N 1 2 366.490 3.716 50 0 FHAALO O=C(Nc1ccccc1C(F)(F)F)N1CCC(Cn2cc[nH+]c2)CC1 ZINC000085436352 527410616 /nfs/dbraw/zinc/41/06/16/527410616.db2.gz 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ZINC000215757497 568087446 /nfs/dbraw/zinc/08/74/46/568087446.db2.gz QCTZYSILTDJPQP-HNNXBMFYSA-N 1 2 351.479 3.752 50 0 FHAALO C[C@@H](c1ccncn1)[N@@H+](C)Cc1cnc(SCc2ccccc2)nc1 ZINC000215757497 568087447 /nfs/dbraw/zinc/08/74/47/568087447.db2.gz QCTZYSILTDJPQP-HNNXBMFYSA-N 1 2 351.479 3.752 50 0 FHAALO c1cncc(C[NH+]2CCN(Cc3cccc(OC4CCCC4)c3)CC2)c1 ZINC000216287400 568116570 /nfs/dbraw/zinc/11/65/70/568116570.db2.gz QBUIWCOICVQICH-UHFFFAOYSA-N 1 2 351.494 3.721 50 0 FHAALO O=C(C[NH+]1Cc2ccccc2C1)N1CCCC[C@@H]1CCc1cccc(O)c1 ZINC000223325431 568640314 /nfs/dbraw/zinc/64/03/14/568640314.db2.gz SHPQQONMSOJGGA-OAQYLSRUSA-N 1 2 364.489 3.722 50 0 FHAALO Cc1nc(C(C)C)sc1C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000091793625 570438890 /nfs/dbraw/zinc/43/88/90/570438890.db2.gz DSGUXQWXKGTEDP-MRXNPFEDSA-N 1 2 354.479 3.943 50 0 FHAALO O=C([O-])[C@@H]1C[N@H+](Cc2c[nH+]c(CC3CCCC3)[nH]2)C[C@H]1c1ccc(F)cc1 ZINC000092003182 570445134 /nfs/dbraw/zinc/44/51/34/570445134.db2.gz USMVYENRVHVOAH-RBUKOAKNSA-N 1 2 371.456 3.582 50 0 FHAALO O=C([O-])[C@@H]1C[N@@H+](Cc2c[nH+]c(CC3CCCC3)[nH]2)C[C@H]1c1ccc(F)cc1 ZINC000092003182 570445138 /nfs/dbraw/zinc/44/51/38/570445138.db2.gz USMVYENRVHVOAH-RBUKOAKNSA-N 1 2 371.456 3.582 50 0 FHAALO CCCCn1cc[nH+]c1C1CCN(C(=O)NCc2cccc(F)c2)CC1 ZINC000092038870 570445897 /nfs/dbraw/zinc/44/58/97/570445897.db2.gz BCSYHMHIYMJMFX-UHFFFAOYSA-N 1 2 358.461 3.912 50 0 FHAALO O=C(c1ccccc1)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccc(F)c(F)c2F)C1 ZINC000095365321 570454776 /nfs/dbraw/zinc/45/47/76/570454776.db2.gz LTZABGKDGFEDPW-RHSMWYFYSA-N 1 2 374.406 3.841 50 0 FHAALO O=C(c1ccccc1)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccc(F)c(F)c2F)C1 ZINC000095365321 570454778 /nfs/dbraw/zinc/45/47/78/570454778.db2.gz LTZABGKDGFEDPW-RHSMWYFYSA-N 1 2 374.406 3.841 50 0 FHAALO COCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2C)C1 ZINC000095498006 570462330 /nfs/dbraw/zinc/46/23/30/570462330.db2.gz OXTWNJTYBDYLBR-OAHLLOKOSA-N 1 2 361.873 3.511 50 0 FHAALO O=C(CCc1ccccc1)N1CCC[C@H](c2[nH+]ccn2Cc2ccccn2)C1 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CC[N@@H+](Cc1nc(-c2ccccc2OC)no1)Cc1ccc(OC)c(F)c1 ZINC000032751546 570792146 /nfs/dbraw/zinc/79/21/46/570792146.db2.gz WAZLXCHPFAHZLL-UHFFFAOYSA-N 1 2 371.412 3.915 50 0 FHAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(-n2cccc2)cc1)c1ccc(F)cc1 ZINC000010656556 570890191 /nfs/dbraw/zinc/89/01/91/570890191.db2.gz WDOBCBWECFLIPX-FQEVSTJZSA-N 1 2 374.419 3.869 50 0 FHAALO O=c1nc(-c2ccncc2)[nH]c2sc3c(c21)CC[N@@H+](Cc1ccccc1)C3 ZINC000019926543 570906855 /nfs/dbraw/zinc/90/68/55/570906855.db2.gz BIKOXNFPOWMFFE-UHFFFAOYSA-N 1 2 374.469 3.605 50 0 FHAALO O=c1nc(-c2ccncc2)[nH]c2sc3c(c21)CC[N@H+](Cc1ccccc1)C3 ZINC000019926543 570906858 /nfs/dbraw/zinc/90/68/58/570906858.db2.gz BIKOXNFPOWMFFE-UHFFFAOYSA-N 1 2 374.469 3.605 50 0 FHAALO Cc1ccn2c(=O)cc(C[N@H+](Cc3ccco3)Cc3ccccc3)nc2c1 ZINC000045974086 570916968 /nfs/dbraw/zinc/91/69/68/570916968.db2.gz QGXIKPKPVRZSGG-UHFFFAOYSA-N 1 2 359.429 3.798 50 0 FHAALO Cc1ccn2c(=O)cc(C[N@@H+](Cc3ccco3)Cc3ccccc3)nc2c1 ZINC000045974086 570916970 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BHCUFJUTAOIRKK-KRWDZBQOSA-N 1 2 368.481 3.590 50 0 FHAALO Fc1cccc(C[NH+]2CCN(Cc3cnc(C4CCCCC4)nc3)CC2)c1 ZINC000072145608 571173035 /nfs/dbraw/zinc/17/30/35/571173035.db2.gz GUSHOEXENRDMJD-UHFFFAOYSA-N 1 2 368.500 3.981 50 0 FHAALO Cc1[nH+]c2ccccc2n1CCNC(=O)c1cccnc1Oc1ccccc1 ZINC000012507454 571173244 /nfs/dbraw/zinc/17/32/44/571173244.db2.gz HZRHNHUOFIWQBZ-UHFFFAOYSA-N 1 2 372.428 3.962 50 0 FHAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(Cl)cc1F)c1ccccc1F ZINC000012507699 571173264 /nfs/dbraw/zinc/17/32/64/571173264.db2.gz FSMIQXJIOVOOCD-INIZCTEOSA-N 1 2 361.779 3.871 50 0 FHAALO CC(=O)Nc1ccc(-c2[nH+]ccn2Cc2cnn(-c3ccccc3)c2)cc1 ZINC000072148653 571173944 /nfs/dbraw/zinc/17/39/44/571173944.db2.gz HFJWSIQDDGOANG-UHFFFAOYSA-N 1 2 357.417 3.743 50 0 FHAALO CN(C)c1nc(Cl)c(C[N@H+](C)Cc2ccc(-n3cccn3)cc2)s1 ZINC000072150074 571173989 /nfs/dbraw/zinc/17/39/89/571173989.db2.gz JISBRYZSTYPZOH-UHFFFAOYSA-N 1 2 361.902 3.680 50 0 FHAALO CN(C)c1nc(Cl)c(C[N@@H+](C)Cc2ccc(-n3cccn3)cc2)s1 ZINC000072150074 571173992 /nfs/dbraw/zinc/17/39/92/571173992.db2.gz JISBRYZSTYPZOH-UHFFFAOYSA-N 1 2 361.902 3.680 50 0 FHAALO Cc1cc(NC(=O)C[N@H+]2CCC[C@H](Nc3ccc(C(C)C)cc3)C2)no1 ZINC000072149098 571174105 /nfs/dbraw/zinc/17/41/05/571174105.db2.gz USZTWINJRAODMG-SFHVURJKSA-N 1 2 356.470 3.621 50 0 FHAALO Cc1cc(NC(=O)C[N@@H+]2CCC[C@H](Nc3ccc(C(C)C)cc3)C2)no1 ZINC000072149098 571174107 /nfs/dbraw/zinc/17/41/07/571174107.db2.gz USZTWINJRAODMG-SFHVURJKSA-N 1 2 356.470 3.621 50 0 FHAALO COc1ccccc1-c1cc(C[NH+]2CCN(c3ccccc3F)CC2)on1 ZINC000012597929 571188227 /nfs/dbraw/zinc/18/82/27/571188227.db2.gz QAKUCELIEXZKOF-UHFFFAOYSA-N 1 2 367.424 3.812 50 0 FHAALO Cc1c(F)cccc1[C@@H]1c2[nH]c[nH+]c2CCN1Cc1cnn(C)c1C1CC1 ZINC000072410640 571192061 /nfs/dbraw/zinc/19/20/61/571192061.db2.gz QVYKQANSUDTVQX-OAQYLSRUSA-N 1 2 365.456 3.616 50 0 FHAALO O=C(CCc1cn2ccccc2[nH+]1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000072447189 571197119 /nfs/dbraw/zinc/19/71/19/571197119.db2.gz IJHDFAPFSGWTNZ-INIZCTEOSA-N 1 2 373.460 3.549 50 0 FHAALO O=C([O-])C1(n2cc[nH+]c2)CC[NH+](Cc2ccc(C3CCCC3)s2)CC1 ZINC000072478377 571199581 /nfs/dbraw/zinc/19/95/81/571199581.db2.gz QROOTDRAQIDNTG-UHFFFAOYSA-N 1 2 359.495 3.678 50 0 FHAALO CN(CCC[C@@H]1CCCO1)C(=O)c1ccc(-c2[nH+]cnc3[nH]ccc32)cc1 ZINC000534574537 571204711 /nfs/dbraw/zinc/20/47/11/571204711.db2.gz KQKPIFSDLDJJJI-QGZVFWFLSA-N 1 2 364.449 3.656 50 0 FHAALO CS(=O)(=O)CC1(C[N@H+](Cc2c(F)cccc2F)C2CCCC2)CC1 ZINC000089484200 571204823 /nfs/dbraw/zinc/20/48/23/571204823.db2.gz SLAZDMLTONISRG-UHFFFAOYSA-N 1 2 357.466 3.534 50 0 FHAALO CS(=O)(=O)CC1(C[N@@H+](Cc2c(F)cccc2F)C2CCCC2)CC1 ZINC000089484200 571204826 /nfs/dbraw/zinc/20/48/26/571204826.db2.gz SLAZDMLTONISRG-UHFFFAOYSA-N 1 2 357.466 3.534 50 0 FHAALO CC(C)[C@@H](NC(=O)N(C)Cc1cccc(C(F)(F)F)c1)c1[nH+]ccn1C ZINC000534579059 571205033 /nfs/dbraw/zinc/20/50/33/571205033.db2.gz NNEIOVUCBRQMQM-OAHLLOKOSA-N 1 2 368.403 3.978 50 0 FHAALO OCCOc1ccccc1C[N@@H+]1CCCC[C@H]1c1nc2cc(F)ccc2[nH]1 ZINC000077286474 571206114 /nfs/dbraw/zinc/20/61/14/571206114.db2.gz CTOVJSIDYDCVHF-IBGZPJMESA-N 1 2 369.440 3.800 50 0 FHAALO OCCOc1ccccc1C[N@H+]1CCCC[C@H]1c1nc2cc(F)ccc2[nH]1 ZINC000077286474 571206118 /nfs/dbraw/zinc/20/61/18/571206118.db2.gz CTOVJSIDYDCVHF-IBGZPJMESA-N 1 2 369.440 3.800 50 0 FHAALO O=C1CCCN1CCC1CC[NH+](Cc2c(F)ccc(Cl)c2F)CC1 ZINC000077388952 571209883 /nfs/dbraw/zinc/20/98/83/571209883.db2.gz OLBGVYXYBQAFJG-UHFFFAOYSA-N 1 2 356.844 3.843 50 0 FHAALO O=C(CSC12CC3CC(CC(C3)C1)C2)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000077406523 571210142 /nfs/dbraw/zinc/21/01/42/571210142.db2.gz DXSHFBGXRHZDHE-VQBCORBOSA-N 1 2 359.539 3.818 50 0 FHAALO COc1ccccc1N1CC[NH+]([C@@H](C)C(=O)c2c[nH]c3ccccc32)CC1 ZINC000035946014 571210290 /nfs/dbraw/zinc/21/02/90/571210290.db2.gz IAVURDKAAKQWSP-INIZCTEOSA-N 1 2 363.461 3.570 50 0 FHAALO O=C(c1ccc(C(F)(F)F)cc1)N1CCCC[C@@H]1CCn1cc[nH+]c1 ZINC000077457452 571212242 /nfs/dbraw/zinc/21/22/42/571212242.db2.gz ANAUHZIWLJSUIH-MRXNPFEDSA-N 1 2 351.372 3.987 50 0 FHAALO COc1cc2c(cc1-c1[nH+]ccn1CC(=O)Nc1ccccc1C)CCC2 ZINC000077459734 571212490 /nfs/dbraw/zinc/21/24/90/571212490.db2.gz BMJGYRCORJRIKE-UHFFFAOYSA-N 1 2 361.445 3.995 50 0 FHAALO CCc1[nH]c2ccc(CNC(=O)Cc3c[nH+]c4c(C)cccn34)cc2c1C ZINC000077484782 571213092 /nfs/dbraw/zinc/21/30/92/571213092.db2.gz OBEGDRGUMOGANG-UHFFFAOYSA-N 1 2 360.461 3.854 50 0 FHAALO O=C(c1onc2c1CCCC2)N1CCC[C@H](c2[nH+]ccn2CC2CCC2)C1 ZINC000426420751 571222984 /nfs/dbraw/zinc/22/29/84/571222984.db2.gz PAZJFXJTOCVTGI-INIZCTEOSA-N 1 2 368.481 3.570 50 0 FHAALO O=C(c1ccc2scnc2c1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000426434453 571225030 /nfs/dbraw/zinc/22/50/30/571225030.db2.gz KQHDJBJTRZBGNK-QPJJXVBHSA-N 1 2 363.486 3.768 50 0 FHAALO COc1ccccc1C[N@H+](Cc1nc(C(=O)NC(C)C)co1)[C@@H](C)C(C)C ZINC000036069107 571239944 /nfs/dbraw/zinc/23/99/44/571239944.db2.gz AJCJWCOTNVEKOY-INIZCTEOSA-N 1 2 373.497 3.868 50 0 FHAALO COc1ccccc1C[N@@H+](Cc1nc(C(=O)NC(C)C)co1)[C@@H](C)C(C)C ZINC000036069107 571239945 /nfs/dbraw/zinc/23/99/45/571239945.db2.gz AJCJWCOTNVEKOY-INIZCTEOSA-N 1 2 373.497 3.868 50 0 FHAALO Cc1oc2c(c1C(=O)N1CCCCC1)C[N@@H+](Cc1cccc(F)c1)CC2 ZINC000065292007 571260607 /nfs/dbraw/zinc/26/06/07/571260607.db2.gz COSRHMRPQYSPRW-UHFFFAOYSA-N 1 2 356.441 3.912 50 0 FHAALO Cc1oc2c(c1C(=O)N1CCCCC1)C[N@H+](Cc1cccc(F)c1)CC2 ZINC000065292007 571260609 /nfs/dbraw/zinc/26/06/09/571260609.db2.gz COSRHMRPQYSPRW-UHFFFAOYSA-N 1 2 356.441 3.912 50 0 FHAALO COc1ccc(C)cc1NC(=O)[C@H]([NH2+]Cc1ccccn1)c1ccccc1 ZINC000007224770 571263264 /nfs/dbraw/zinc/26/32/64/571263264.db2.gz YJICXQTYTDCJEZ-OAQYLSRUSA-N 1 2 361.445 3.868 50 0 FHAALO O=C(CCc1cccc(OC2CCCC2)c1)NCCCOc1cc[nH+]cc1 ZINC000170597982 571266659 /nfs/dbraw/zinc/26/66/59/571266659.db2.gz PNKBDCHRFNJPQU-UHFFFAOYSA-N 1 2 368.477 3.921 50 0 FHAALO CC(C)Cn1cc[nH+]c1CNC(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000170609605 571267384 /nfs/dbraw/zinc/26/73/84/571267384.db2.gz GJHOCAHRIXCNQC-UHFFFAOYSA-N 1 2 356.257 3.750 50 0 FHAALO CCOc1ccc2ccccc2c1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000013328882 571270715 /nfs/dbraw/zinc/27/07/15/571270715.db2.gz RRIYTUDAJMUQLL-UHFFFAOYSA-N 1 2 361.445 3.596 50 0 FHAALO Cc1ccc(N2CC[N@@H+](CC(=O)Nc3ccccc3Cl)C[C@@H]2C)cc1 ZINC000013737030 571271381 /nfs/dbraw/zinc/27/13/81/571271381.db2.gz OBVDCMRGIAJTLF-INIZCTEOSA-N 1 2 357.885 3.798 50 0 FHAALO Cc1ccc(N2CC[N@H+](CC(=O)Nc3ccccc3Cl)C[C@@H]2C)cc1 ZINC000013737030 571271383 /nfs/dbraw/zinc/27/13/83/571271383.db2.gz OBVDCMRGIAJTLF-INIZCTEOSA-N 1 2 357.885 3.798 50 0 FHAALO COc1cc2c(cc1OC)C[N@H+](Cc1ncc(-c3ccccc3)o1)CC2 ZINC000002130040 571278908 /nfs/dbraw/zinc/27/89/08/571278908.db2.gz RXUAFHUBLYEMSI-UHFFFAOYSA-N 1 2 350.418 3.917 50 0 biogenic FHAALO COc1cc2c(cc1OC)C[N@@H+](Cc1ncc(-c3ccccc3)o1)CC2 ZINC000002130040 571278909 /nfs/dbraw/zinc/27/89/09/571278909.db2.gz RXUAFHUBLYEMSI-UHFFFAOYSA-N 1 2 350.418 3.917 50 0 biogenic FHAALO CCOC(=O)C1CC[NH+]([C@H](C)c2nnc(-c3cccc(Cl)c3)o2)CC1 ZINC000007663663 571285460 /nfs/dbraw/zinc/28/54/60/571285460.db2.gz UBUKVKXKRSDVSR-GFCCVEGCSA-N 1 2 363.845 3.726 50 0 FHAALO C[N@H+](CC(=O)Nc1ccnn1C1CCCC1)Cc1ccc(Cl)s1 ZINC000007677673 571285565 /nfs/dbraw/zinc/28/55/65/571285565.db2.gz DRLBDRHTAVDJEL-UHFFFAOYSA-N 1 2 352.891 3.784 50 0 FHAALO C[N@@H+](CC(=O)Nc1ccnn1C1CCCC1)Cc1ccc(Cl)s1 ZINC000007677673 571285567 /nfs/dbraw/zinc/28/55/67/571285567.db2.gz DRLBDRHTAVDJEL-UHFFFAOYSA-N 1 2 352.891 3.784 50 0 FHAALO CCOc1cccc(CNC(=O)C[N@@H+]2CC(C)(C)[C@H]2c2cccs2)c1 ZINC000253420035 571312819 /nfs/dbraw/zinc/31/28/19/571312819.db2.gz QLOIDJFZABITJE-LJQANCHMSA-N 1 2 358.507 3.846 50 0 FHAALO CCOc1cccc(CNC(=O)C[N@H+]2CC(C)(C)[C@H]2c2cccs2)c1 ZINC000253420035 571312820 /nfs/dbraw/zinc/31/28/20/571312820.db2.gz QLOIDJFZABITJE-LJQANCHMSA-N 1 2 358.507 3.846 50 0 FHAALO O=C(NCc1c[nH+]cn1C1CC1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000584899136 571315878 /nfs/dbraw/zinc/31/58/78/571315878.db2.gz HQEIWIAGJHFWQT-INIZCTEOSA-N 1 2 367.478 3.874 50 0 FHAALO Cc1cccc2[nH+]c(CNc3ccc(C(=O)N4CCC[C@@H](C)C4)cn3)cn21 ZINC000095958834 571332982 /nfs/dbraw/zinc/33/29/82/571332982.db2.gz XJXMIRVOFRQWOF-OAHLLOKOSA-N 1 2 363.465 3.522 50 0 FHAALO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)Nc1ccc(F)c(F)c1F ZINC000002644613 571339971 /nfs/dbraw/zinc/33/99/71/571339971.db2.gz HAIAWTUMJIHCGW-UHFFFAOYSA-N 1 2 362.395 3.997 50 0 FHAALO O=C(c1ccc(C2SCCS2)cc1)N1CC[NH+](Cc2ccco2)CC1 ZINC000057347254 571342537 /nfs/dbraw/zinc/34/25/37/571342537.db2.gz MDJRYVAAWVDVMY-UHFFFAOYSA-N 1 2 374.531 3.716 50 0 FHAALO Cc1cc(N)nc(S[C@@H](C)C(=O)c2ccc(NC(=O)C(C)(C)C)cc2)[nH+]1 ZINC000031745790 571353450 /nfs/dbraw/zinc/35/34/50/571353450.db2.gz AHQSQGUNVCALTO-LBPRGKRZSA-N 1 2 372.494 3.715 50 0 FHAALO COCc1nc([C@H]2CCCC[N@@H+]2Cc2ccccc2)n(-c2cccnc2)n1 ZINC000670461027 571356864 /nfs/dbraw/zinc/35/68/64/571356864.db2.gz ASIDNSFCLLMYIY-LJQANCHMSA-N 1 2 363.465 3.536 50 0 FHAALO COCc1nc([C@H]2CCCC[N@H+]2Cc2ccccc2)n(-c2cccnc2)n1 ZINC000670461027 571356865 /nfs/dbraw/zinc/35/68/65/571356865.db2.gz ASIDNSFCLLMYIY-LJQANCHMSA-N 1 2 363.465 3.536 50 0 FHAALO C[C@@H](NC(=O)c1ccc(-n2cccn2)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000007987326 571358206 /nfs/dbraw/zinc/35/82/06/571358206.db2.gz FVVVOXIBLIPDCO-MRXNPFEDSA-N 1 2 357.417 3.549 50 0 FHAALO Cc1[nH+]c2ccccc2n1CCNC(=O)COc1ccc(Cl)cc1C ZINC000008172738 571359663 /nfs/dbraw/zinc/35/96/63/571359663.db2.gz ARVJJVZVNZHALH-UHFFFAOYSA-N 1 2 357.841 3.502 50 0 FHAALO Cc1ccc(-c2cc(C[N@@H+]3CCNC(=O)C[C@H]3c3ccccc3)on2)cc1 ZINC000194318174 935354449 /nfs/dbraw/zinc/35/44/49/935354449.db2.gz LHLOXFRDAPTRFU-NRFANRHFSA-N 1 2 361.445 3.713 50 0 FHAALO Cc1ccc(-c2cc(C[N@H+]3CCNC(=O)C[C@H]3c3ccccc3)on2)cc1 ZINC000194318174 935354451 /nfs/dbraw/zinc/35/44/51/935354451.db2.gz LHLOXFRDAPTRFU-NRFANRHFSA-N 1 2 361.445 3.713 50 0 FHAALO O=C(c1ccccc1CCc1ccccc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000100458497 936055447 /nfs/dbraw/zinc/05/54/47/936055447.db2.gz MTPZVQAASKGXSP-UHFFFAOYSA-N 1 2 371.484 3.829 50 0 FHAALO CCn1cc(C(=O)N2CCC[C@H](n3c(C)c[nH+]c3-c3ccccc3)C2)cn1 ZINC000581806138 940614108 /nfs/dbraw/zinc/61/41/08/940614108.db2.gz MAMKGAZCKHTZNM-IBGZPJMESA-N 1 2 363.465 3.552 50 0 FHAALO CCn1cc(C(=O)N2CC3(C[C@@H]2COc2cc[nH+]cc2)CCCCC3)cn1 ZINC000257190455 942649796 /nfs/dbraw/zinc/64/97/96/942649796.db2.gz MQXAPHGGRYWKFH-GOSISDBHSA-N 1 2 368.481 3.542 50 0 FHAALO CC1(C(=O)N2CCC3(CC[C@H](COc4cc[nH+]cc4)O3)CC2)CCCCC1 ZINC000257189221 942651408 /nfs/dbraw/zinc/65/14/08/942651408.db2.gz HTEAYVQEKUWTAY-LJQANCHMSA-N 1 2 372.509 3.971 50 0 FHAALO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc2c(cc(F)cc2C)[nH]1 ZINC000192254813 222621509 /nfs/dbraw/zinc/62/15/09/222621509.db2.gz SNFOYGUOGXKLBW-UHFFFAOYSA-N 1 2 356.445 3.927 50 0 FHAALO Fc1ccccc1Cn1nc(C[NH2+]Cc2ccccn2)c(-c2ccccc2)n1 ZINC000261491820 223074889 /nfs/dbraw/zinc/07/48/89/223074889.db2.gz LDVRAJLCKJXAMX-UHFFFAOYSA-N 1 2 373.435 3.817 50 0 FHAALO Cc1ccc(C[NH2+][C@H]2CNC(=O)c3cc(-c4ccc(Cl)cc4)nn32)cc1 ZINC000263615453 223076968 /nfs/dbraw/zinc/07/69/68/223076968.db2.gz CLPOHKJOJONULA-LJQANCHMSA-N 1 2 366.852 3.544 50 0 FHAALO Cn1cc[nH+]c1CN(C(=O)Nc1cccc(OC2CCCC2)c1)C1CC1 ZINC000299761846 223085290 /nfs/dbraw/zinc/08/52/90/223085290.db2.gz AVEWDGQNZVOOKS-UHFFFAOYSA-N 1 2 354.454 3.938 50 0 FHAALO Cc1cc2c([nH]c(C[N@@H+](C)Cc3ccc(-n4cccn4)cc3)nc2=O)s1 ZINC000299770444 223089371 /nfs/dbraw/zinc/08/93/71/223089371.db2.gz UDLOMGONPXBTEC-UHFFFAOYSA-N 1 2 365.462 3.523 50 0 FHAALO Cc1cc2c([nH]c(C[N@H+](C)Cc3ccc(-n4cccn4)cc3)nc2=O)s1 ZINC000299770444 223089374 /nfs/dbraw/zinc/08/93/74/223089374.db2.gz UDLOMGONPXBTEC-UHFFFAOYSA-N 1 2 365.462 3.523 50 0 FHAALO O=C(CCSCc1ccccc1)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC000299774617 223090891 /nfs/dbraw/zinc/09/08/91/223090891.db2.gz ILUIJROAQBFLMR-UHFFFAOYSA-N 1 2 356.491 3.775 50 0 FHAALO CCn1c[nH+]cc1CNC(=O)C[C@]1(c2ccccc2C)CCOC(C)(C)C1 ZINC000299802898 223105748 /nfs/dbraw/zinc/10/57/48/223105748.db2.gz RWRVFDIVUCIYNP-JOCHJYFZSA-N 1 2 369.509 3.745 50 0 FHAALO O=C(N[C@H](Cc1[nH]cc[nH+]1)c1ccccc1)c1cccc(Br)c1 ZINC000012539992 220004266 /nfs/dbraw/zinc/00/42/66/220004266.db2.gz GLXVVPZXCFOIPY-MRXNPFEDSA-N 1 2 370.250 3.886 50 0 FHAALO Cc1ccccc1CC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000012628409 220014981 /nfs/dbraw/zinc/01/49/81/220014981.db2.gz HKZMFWDPORGJKS-LJQANCHMSA-N 1 2 353.853 3.830 50 0 FHAALO C[N@H+](Cc1cc(C(=O)NCc2cccc(F)c2F)no1)Cc1ccccc1 ZINC000012701456 220017882 /nfs/dbraw/zinc/01/78/82/220017882.db2.gz RHDPMKFPCWDIQF-UHFFFAOYSA-N 1 2 371.387 3.515 50 0 FHAALO C[N@@H+](Cc1cc(C(=O)NCc2cccc(F)c2F)no1)Cc1ccccc1 ZINC000012701456 220017885 /nfs/dbraw/zinc/01/78/85/220017885.db2.gz RHDPMKFPCWDIQF-UHFFFAOYSA-N 1 2 371.387 3.515 50 0 FHAALO O=C(C[NH+]1CCC(c2nc3ccccc3o2)CC1)Nc1ccc(Cl)cn1 ZINC000012893305 220040537 /nfs/dbraw/zinc/04/05/37/220040537.db2.gz QLHDCXLUPXIPBC-UHFFFAOYSA-N 1 2 370.840 3.694 50 0 FHAALO Cc1ccc2[nH+]c(CN3C(=O)NC4(CCC(C(C)(C)C)CC4)C3=O)cn2c1 ZINC000013095242 220057522 /nfs/dbraw/zinc/05/75/22/220057522.db2.gz CPRUSQOUMBXUMM-UHFFFAOYSA-N 1 2 368.481 3.670 50 0 FHAALO C[C@@H](NC(=O)COc1ccccc1Cl)c1ccc(-n2cc[nH+]c2)cc1 ZINC000013074343 220056683 /nfs/dbraw/zinc/05/66/83/220056683.db2.gz QKBLKXITFVZRCA-CQSZACIVSA-N 1 2 355.825 3.782 50 0 FHAALO COc1ccc([C@H]2CCCCC[N@@H+]2Cc2nnnn2-c2ccccc2)cc1 ZINC000014019729 220102715 /nfs/dbraw/zinc/10/27/15/220102715.db2.gz CWCFFVJGNSJUNM-HXUWFJFHSA-N 1 2 363.465 3.788 50 0 FHAALO COc1ccc([C@H]2CCCCC[N@H+]2Cc2nnnn2-c2ccccc2)cc1 ZINC000014019729 220102718 /nfs/dbraw/zinc/10/27/18/220102718.db2.gz CWCFFVJGNSJUNM-HXUWFJFHSA-N 1 2 363.465 3.788 50 0 FHAALO C[N@H+](Cc1ccc2c(c1)OCO2)[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000014085660 220105159 /nfs/dbraw/zinc/10/51/59/220105159.db2.gz DVHWGXPINIFKPA-NRFANRHFSA-N 1 2 366.461 3.601 50 0 FHAALO C[N@@H+](Cc1ccc2c(c1)OCO2)[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000014085660 220105161 /nfs/dbraw/zinc/10/51/61/220105161.db2.gz DVHWGXPINIFKPA-NRFANRHFSA-N 1 2 366.461 3.601 50 0 FHAALO C[C@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCC(OCc2ccccc2)CC1 ZINC000014084775 220105549 /nfs/dbraw/zinc/10/55/49/220105549.db2.gz JNGCHIOPJOMBFG-MRXNPFEDSA-N 1 2 363.461 3.665 50 0 FHAALO CC[N@H+](CC(=O)NCc1cccs1)Cc1ccccc1Br ZINC000015295430 220150424 /nfs/dbraw/zinc/15/04/24/220150424.db2.gz OCELUGMWNPLSKD-UHFFFAOYSA-N 1 2 367.312 3.649 50 0 FHAALO CC[N@@H+](CC(=O)NCc1cccs1)Cc1ccccc1Br ZINC000015295430 220150426 /nfs/dbraw/zinc/15/04/26/220150426.db2.gz OCELUGMWNPLSKD-UHFFFAOYSA-N 1 2 367.312 3.649 50 0 FHAALO C[C@@H](NC(=O)c1cc(F)c(F)c(F)c1F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000015940966 220172260 /nfs/dbraw/zinc/17/22/60/220172260.db2.gz VAZWTRSVWFOPEK-SNVBAGLBSA-N 1 2 363.314 3.920 50 0 FHAALO CCCn1c2ccccc2[nH+]c1CCc1ccc(NS(C)(=O)=O)cc1 ZINC000015870730 220171397 /nfs/dbraw/zinc/17/13/97/220171397.db2.gz UPEGWQNCPXXBRV-UHFFFAOYSA-N 1 2 357.479 3.603 50 0 FHAALO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@H+](C)Cc1cccc(Cl)c1Cl ZINC000016376432 220184495 /nfs/dbraw/zinc/18/44/95/220184495.db2.gz HHSJJDLIELIRFO-GFCCVEGCSA-N 1 2 369.296 3.803 50 0 FHAALO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(Cl)c1Cl ZINC000016376432 220184497 /nfs/dbraw/zinc/18/44/97/220184497.db2.gz HHSJJDLIELIRFO-GFCCVEGCSA-N 1 2 369.296 3.803 50 0 FHAALO c1cc(C[N@@H+]2CCc3[nH]nc(Cc4ccccc4)c3C2)n(-c2cccnc2)c1 ZINC000019111425 220236117 /nfs/dbraw/zinc/23/61/17/220236117.db2.gz ZSDAFPSMIBXZKT-UHFFFAOYSA-N 1 2 369.472 3.745 50 0 FHAALO c1cc(C[N@H+]2CCc3[nH]nc(Cc4ccccc4)c3C2)n(-c2cccnc2)c1 ZINC000019111425 220236121 /nfs/dbraw/zinc/23/61/21/220236121.db2.gz ZSDAFPSMIBXZKT-UHFFFAOYSA-N 1 2 369.472 3.745 50 0 FHAALO c1cc(C[N@@H+]2CCc3n[nH]c(Cc4ccccc4)c3C2)n(-c2cccnc2)c1 ZINC000019111425 220236125 /nfs/dbraw/zinc/23/61/25/220236125.db2.gz ZSDAFPSMIBXZKT-UHFFFAOYSA-N 1 2 369.472 3.745 50 0 FHAALO c1cc(C[N@H+]2CCc3n[nH]c(Cc4ccccc4)c3C2)n(-c2cccnc2)c1 ZINC000019111425 220236129 /nfs/dbraw/zinc/23/61/29/220236129.db2.gz ZSDAFPSMIBXZKT-UHFFFAOYSA-N 1 2 369.472 3.745 50 0 FHAALO CCCOc1ccc(C(=O)[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000019313983 220249394 /nfs/dbraw/zinc/24/93/94/220249394.db2.gz WVAHEPZRTLCPMI-NRFANRHFSA-N 1 2 353.462 3.774 50 0 FHAALO Cc1onc(-c2ccccc2)c1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019760044 220294983 /nfs/dbraw/zinc/29/49/83/220294983.db2.gz YIRGCZMUUPOQFF-UHFFFAOYSA-N 1 2 361.445 3.608 50 0 FHAALO C[N@@H+]1CCc2nc3sc(C(=O)Nc4ccccc4Cl)c(N)c3cc2C1 ZINC000019853419 220302435 /nfs/dbraw/zinc/30/24/35/220302435.db2.gz XNTUHAUAHHRIPT-UHFFFAOYSA-N 1 2 372.881 3.772 50 0 FHAALO C[N@H+]1CCc2nc3sc(C(=O)Nc4ccccc4Cl)c(N)c3cc2C1 ZINC000019853419 220302437 /nfs/dbraw/zinc/30/24/37/220302437.db2.gz XNTUHAUAHHRIPT-UHFFFAOYSA-N 1 2 372.881 3.772 50 0 FHAALO CCCN1c2ccccc2[C@@]2([NH2+]CCc3c4cc(Cl)ccc4[nH]c32)C1=O ZINC000020064222 220310590 /nfs/dbraw/zinc/31/05/90/220310590.db2.gz HPEFXMGZUOSPHN-NRFANRHFSA-N 1 2 365.864 3.967 50 0 FHAALO C[C@@H](CNC(=O)[C@@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1)c1ccccc1 ZINC000021159105 220353658 /nfs/dbraw/zinc/35/36/58/220353658.db2.gz NPFPNHRAQYRJEU-FUHWJXTLSA-N 1 2 362.477 3.699 50 0 FHAALO O=C(NCCCc1ccccc1)[C@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000021159041 220354060 /nfs/dbraw/zinc/35/40/60/220354060.db2.gz CRNHEDFHYVQWGM-SFHVURJKSA-N 1 2 362.477 3.528 50 0 FHAALO C[C@@H](O)CNc1[nH+]c2ccccc2n1Cc1coc(-c2cccs2)n1 ZINC000021196855 220354205 /nfs/dbraw/zinc/35/42/05/220354205.db2.gz SUILATLIGQKORV-GFCCVEGCSA-N 1 2 354.435 3.594 50 0 FHAALO CN1CC[NH+](Cc2ccc(C(=O)c3ccc(Cl)cc3Cl)cc2)CC1 ZINC000022027948 220374147 /nfs/dbraw/zinc/37/41/47/220374147.db2.gz ZOTHBWCNULBBAN-UHFFFAOYSA-N 1 2 363.288 3.972 50 0 FHAALO CCCCn1c2ccccc2[nH+]c1N1CCC(C(=O)N[C@H](C)CC)CC1 ZINC000034909983 220768554 /nfs/dbraw/zinc/76/85/54/220768554.db2.gz OISGJFLDYQAHOE-MRXNPFEDSA-N 1 2 356.514 3.968 50 0 FHAALO O=C(NCCn1c2ccccc2[nH+]c1CCc1ccccc1)c1cccnc1 ZINC000035481657 220786192 /nfs/dbraw/zinc/78/61/92/220786192.db2.gz AMXYGGVRRSBHGG-UHFFFAOYSA-N 1 2 370.456 3.647 50 0 FHAALO C[C@H](Sc1ccccc1)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000048324913 221008173 /nfs/dbraw/zinc/00/81/73/221008173.db2.gz BYUIQOVFVVUPER-YJBOKZPZSA-N 1 2 351.475 3.807 50 0 FHAALO Cc1cc(C)n(-c2cc[nH+]c(NCc3ccc(Br)cc3)n2)n1 ZINC000049411601 221022342 /nfs/dbraw/zinc/02/23/42/221022342.db2.gz DLZKBXKJOGWZBP-UHFFFAOYSA-N 1 2 358.243 3.654 50 0 FHAALO CC[C@@H]1c2ccsc2CCN1C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000051755663 221037060 /nfs/dbraw/zinc/03/70/60/221037060.db2.gz NVXZKAZAVGETAP-MRXNPFEDSA-N 1 2 359.495 3.988 50 0 FHAALO CCC[NH+](CCC)C1CC[NH+]([C@@H](C(=O)[O-])c2ccc(F)c(C)c2)CC1 ZINC000055254848 221065009 /nfs/dbraw/zinc/06/50/09/221065009.db2.gz GLOLZPMMUPYYMG-LJQANCHMSA-N 1 2 350.478 3.846 50 0 FHAALO CC[C@H](C)Oc1ccc(C[NH2+]Cc2nc(-c3cccnc3)no2)cc1OC ZINC000055308444 221066004 /nfs/dbraw/zinc/06/60/04/221066004.db2.gz XMMYXHNKEVDIPH-AWEZNQCLSA-N 1 2 368.437 3.607 50 0 FHAALO COc1cccc(CN(C)[C@H](C)c2nccs2)c1OCCn1cc[nH+]c1 ZINC000055341797 221067459 /nfs/dbraw/zinc/06/74/59/221067459.db2.gz FTSYQVFFVKRTJL-OAHLLOKOSA-N 1 2 372.494 3.620 50 0 FHAALO CCCc1[nH+]c2ccccc2n1[C@@H](C)C(=O)N(C)CCc1ccccn1 ZINC000055359175 221067724 /nfs/dbraw/zinc/06/77/24/221067724.db2.gz AFZWOTYEECISTQ-INIZCTEOSA-N 1 2 350.466 3.646 50 0 FHAALO Cc1ncsc1C(=O)N1CCC[N@@H+]([C@H](C)c2ccc(F)cc2F)CC1 ZINC000058167768 221101333 /nfs/dbraw/zinc/10/13/33/221101333.db2.gz JLDXMCBRXKLPRK-CYBMUJFWSA-N 1 2 365.449 3.639 50 0 FHAALO Cc1ncsc1C(=O)N1CCC[N@H+]([C@H](C)c2ccc(F)cc2F)CC1 ZINC000058167768 221101335 /nfs/dbraw/zinc/10/13/35/221101335.db2.gz JLDXMCBRXKLPRK-CYBMUJFWSA-N 1 2 365.449 3.639 50 0 FHAALO COc1cc(C[N@H+](C)CC(=O)Nc2cc(C(C)C)no2)ccc1SC ZINC000058157480 221099610 /nfs/dbraw/zinc/09/96/10/221099610.db2.gz ONUUZTGQPWNFRS-UHFFFAOYSA-N 1 2 363.483 3.599 50 0 FHAALO COc1cc(C[N@@H+](C)CC(=O)Nc2cc(C(C)C)no2)ccc1SC ZINC000058157480 221099612 /nfs/dbraw/zinc/09/96/12/221099612.db2.gz ONUUZTGQPWNFRS-UHFFFAOYSA-N 1 2 363.483 3.599 50 0 FHAALO Cc1oc(-c2cccs2)nc1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000058420844 221118463 /nfs/dbraw/zinc/11/84/63/221118463.db2.gz VJAVTBMDRIQSEB-UHFFFAOYSA-N 1 2 364.430 3.827 50 0 FHAALO Cc1nnc([C@H]2Cc3ccccc3CN2Cc2cn3c(cccc3C)[nH+]2)o1 ZINC000058428947 221119445 /nfs/dbraw/zinc/11/94/45/221119445.db2.gz OIQJNMIIIOMCBS-LJQANCHMSA-N 1 2 359.433 3.634 50 0 FHAALO Cc1ccccc1NC(=O)Cn1c2cc3c(cc2[nH+]c1C(C)C)OCCO3 ZINC000064795213 221152544 /nfs/dbraw/zinc/15/25/44/221152544.db2.gz NJTLBAHDXUXQEH-UHFFFAOYSA-N 1 2 365.433 3.878 50 0 FHAALO Cc1ccc(NC2(C(=O)NCC3(Cn4cc[nH+]c4)CC3)CCCC2)cc1 ZINC000065405303 221213535 /nfs/dbraw/zinc/21/35/35/221213535.db2.gz KQLGOAKYGSGTOV-UHFFFAOYSA-N 1 2 352.482 3.513 50 0 FHAALO COc1ccc(-n2ccnc2C[N@@H+]2CCC[C@H]2c2c(C)noc2C)cc1 ZINC000065406172 221213713 /nfs/dbraw/zinc/21/37/13/221213713.db2.gz RTXHDZGCRUEISI-SFHVURJKSA-N 1 2 352.438 3.823 50 0 FHAALO COc1ccc(-n2ccnc2C[N@H+]2CCC[C@H]2c2c(C)noc2C)cc1 ZINC000065406172 221213715 /nfs/dbraw/zinc/21/37/15/221213715.db2.gz RTXHDZGCRUEISI-SFHVURJKSA-N 1 2 352.438 3.823 50 0 FHAALO Cc1nnc(C[N@H+]2CC=C(c3cnn(-c4ccccc4C)c3)CC2)s1 ZINC000065410755 221216042 /nfs/dbraw/zinc/21/60/42/221216042.db2.gz SLFQHZVAQYAKLT-UHFFFAOYSA-N 1 2 351.479 3.630 50 0 FHAALO Cc1nnc(C[N@@H+]2CC=C(c3cnn(-c4ccccc4C)c3)CC2)s1 ZINC000065410755 221216046 /nfs/dbraw/zinc/21/60/46/221216046.db2.gz SLFQHZVAQYAKLT-UHFFFAOYSA-N 1 2 351.479 3.630 50 0 FHAALO Cc1cc(C)c(C(=O)CCCC(=O)NCc2cn3c([nH+]2)CCCC3)c(C)c1 ZINC000065591747 221235078 /nfs/dbraw/zinc/23/50/78/221235078.db2.gz WRRCSNDMOZZHET-UHFFFAOYSA-N 1 2 367.493 3.814 50 0 FHAALO CC(C)(C)NC(=O)CC[N@@H+]1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000066850999 221246708 /nfs/dbraw/zinc/24/67/08/221246708.db2.gz LJPHFDRQEFVYQU-OAHLLOKOSA-N 1 2 359.297 3.672 50 0 FHAALO CC(C)(C)NC(=O)CC[N@H+]1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000066850999 221246710 /nfs/dbraw/zinc/24/67/10/221246710.db2.gz LJPHFDRQEFVYQU-OAHLLOKOSA-N 1 2 359.297 3.672 50 0 FHAALO CC(C)Cn1cncc1C[N@@H+]1CCc2[nH]nc(-c3ccc(F)c(F)c3)c2C1 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0 FHAALO Cc1[nH+]c[nH]c1CN1CCOc2c(O)cc(-c3ccc(Cl)cn3)cc2C1 ZINC000067755433 221280438 /nfs/dbraw/zinc/28/04/38/221280438.db2.gz DJMNHUXWKFZCLI-UHFFFAOYSA-N 1 2 370.840 3.534 50 0 FHAALO COc1cc(-c2ccc(C)s2)cc2c1OCCN(c1cc(N)nc[nH+]1)C2 ZINC000067787519 221286254 /nfs/dbraw/zinc/28/62/54/221286254.db2.gz VLIOJHITNBWYJT-UHFFFAOYSA-N 1 2 368.462 3.503 50 0 FHAALO Cc1ccc(-c2noc(CCCC(=O)Nc3c[nH+]c4n3CCCC4)n2)cc1 ZINC000067855085 221294966 /nfs/dbraw/zinc/29/49/66/221294966.db2.gz BGLFQWOPSBVPBV-UHFFFAOYSA-N 1 2 365.437 3.539 50 0 FHAALO Cn1ccc2cc(C(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)ccc21 ZINC000071282902 221338390 /nfs/dbraw/zinc/33/83/90/221338390.db2.gz JUMWUKKWECNHOG-VMPITWQZSA-N 1 2 359.473 3.650 50 0 FHAALO c1cn(Cc2nnc3n2CCC3)c(-c2ccc3c(c2)Cc2ccccc2-3)[nH+]1 ZINC000071498959 221350647 /nfs/dbraw/zinc/35/06/47/221350647.db2.gz GPFBYBXUMKJZAV-UHFFFAOYSA-N 1 2 353.429 3.707 50 0 FHAALO COc1cc[nH+]c(CN2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000071589605 221351698 /nfs/dbraw/zinc/35/16/98/221351698.db2.gz PQCQDPZCWWNWPD-QGZVFWFLSA-N 1 2 353.249 3.971 50 0 FHAALO CCn1ncc(C[N@@H+]2CCO[C@H](c3ccc4cc(OC)ccc4c3)C2)c1C ZINC000071614581 221352823 /nfs/dbraw/zinc/35/28/23/221352823.db2.gz ABZZUDSFYKSUSD-QFIPXVFZSA-N 1 2 365.477 3.947 50 0 FHAALO CCn1ncc(C[N@H+]2CCO[C@H](c3ccc4cc(OC)ccc4c3)C2)c1C ZINC000071614581 221352826 /nfs/dbraw/zinc/35/28/26/221352826.db2.gz ABZZUDSFYKSUSD-QFIPXVFZSA-N 1 2 365.477 3.947 50 0 FHAALO Cc1csc([C@H](C)n2ccnc2-c2cccc(C[NH+]3CCOCC3)c2)n1 ZINC000071775870 221375224 /nfs/dbraw/zinc/37/52/24/221375224.db2.gz RMMDWZPFYUGHDN-INIZCTEOSA-N 1 2 368.506 3.757 50 0 FHAALO COc1cccc(N2CC[NH+](Cc3ccc(Br)cc3)CC2)c1 ZINC000055291824 132303362 /nfs/dbraw/zinc/30/33/62/132303362.db2.gz AFVJRYBDFPYZHB-UHFFFAOYSA-N 1 2 361.283 3.780 50 0 FHAALO O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000052537483 136124390 /nfs/dbraw/zinc/12/43/90/136124390.db2.gz ALHJFDUFDHRHRS-UHFFFAOYSA-N 1 2 364.276 3.754 50 0 FHAALO Cc1ccc(NC(=O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)c(C)c1 ZINC000055070146 136125982 /nfs/dbraw/zinc/12/59/82/136125982.db2.gz QRXDRHHOIVKYNE-UHFFFAOYSA-N 1 2 357.885 3.718 50 0 FHAALO Fc1ccc(N2CC[NH+](Cc3cc(Br)cs3)CC2)cc1 ZINC000055542967 136126836 /nfs/dbraw/zinc/12/68/36/136126836.db2.gz KHZDJCKPFSGYCE-UHFFFAOYSA-N 1 2 355.276 3.972 50 0 FHAALO Cc1cc(N[C@@H](C)c2nc(C3CC3)no2)nc(Nc2cccc(O)c2)[nH+]1 ZINC000095363446 221864998 /nfs/dbraw/zinc/86/49/98/221864998.db2.gz PWTFBCGLCCCLSA-NSHDSACASA-N 1 2 352.398 3.668 50 0 FHAALO c1cn(CC[C@H](Nc2nccc(-c3cccnc3)n2)c2ccccc2)c[nH+]1 ZINC000096137946 222040912 /nfs/dbraw/zinc/04/09/12/222040912.db2.gz XHGROQXGLIOOTH-FQEVSTJZSA-N 1 2 356.433 3.979 50 0 FHAALO Cc1ccc(-n2nc([C@H]3CCOC3)nc2CCc2cn3ccccc3[nH+]2)cc1 ZINC000096148157 222049918 /nfs/dbraw/zinc/04/99/18/222049918.db2.gz STLKKFSHLNMMEB-KRWDZBQOSA-N 1 2 373.460 3.513 50 0 FHAALO Cc1ccc[nH+]c1NCCNC(=O)Nc1ccc2nc(C(C)C)[nH]c2c1 ZINC000096164006 222063626 /nfs/dbraw/zinc/06/36/26/222063626.db2.gz PRZAFJNOPIYYTG-UHFFFAOYSA-N 1 2 352.442 3.623 50 0 FHAALO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)N1CCC[C@H]1c1nc(C2CC2)no1 ZINC000096165399 222065022 /nfs/dbraw/zinc/06/50/22/222065022.db2.gz LLFNNKIAGMIXLE-INIZCTEOSA-N 1 2 364.409 3.502 50 0 FHAALO Cc1ccc(/C=C\C(=O)NC[C@@H](c2cccs2)[NH+]2CCOCC2)c(C)c1 ZINC000096405014 222120197 /nfs/dbraw/zinc/12/01/97/222120197.db2.gz ZWTRVIRJMNAPSG-FQQSSWHASA-N 1 2 370.518 3.568 50 0 FHAALO Fc1ccc(NC(=S)N2CC[NH+](C/C=C\c3ccccc3)CC2)cc1 ZINC000096769341 222130116 /nfs/dbraw/zinc/13/01/16/222130116.db2.gz GXYYQRTVPMHUOF-DAXSKMNVSA-N 1 2 355.482 3.854 50 0 FHAALO C(=C\c1ccccc1)\C[NH+]1CCN(Cc2ccc(-n3cccn3)cc2)CC1 ZINC000096905145 222137218 /nfs/dbraw/zinc/13/72/18/222137218.db2.gz BUWFTBJSXURVJB-YWEYNIOJSA-N 1 2 358.489 3.703 50 0 FHAALO Fc1ccc(-c2nc3c([nH]2)C[N@H+](Cc2cc(C4CC4)n[nH]2)CC3)c(F)c1 ZINC000097492569 222184688 /nfs/dbraw/zinc/18/46/88/222184688.db2.gz BNDXFCMVTZLXPO-UHFFFAOYSA-N 1 2 355.392 3.514 50 0 FHAALO Fc1ccc(-c2nc3c([nH]2)C[N@@H+](Cc2cc(C4CC4)n[nH]2)CC3)c(F)c1 ZINC000097492569 222184692 /nfs/dbraw/zinc/18/46/92/222184692.db2.gz BNDXFCMVTZLXPO-UHFFFAOYSA-N 1 2 355.392 3.514 50 0 FHAALO COc1ccc([C@@H](C)N(C)C(=O)c2ccccc2-c2[nH]cc[nH+]2)c(OC)c1 ZINC000097480442 222184883 /nfs/dbraw/zinc/18/48/83/222184883.db2.gz CQSDJCGWZULZOI-CQSZACIVSA-N 1 2 365.433 3.927 50 0 FHAALO Cn1cc(Cl)c(C(=O)NCC2CCC(c3[nH]c4ccccc4[nH+]3)CC2)n1 ZINC000097495145 222185784 /nfs/dbraw/zinc/18/57/84/222185784.db2.gz UPAJBZNGTSOBBL-UHFFFAOYSA-N 1 2 371.872 3.654 50 0 FHAALO CCC[C@H](NC(=O)Nc1ccc(C)c(N2CCCC2=O)c1)c1[nH+]ccn1C ZINC000097601028 222197320 /nfs/dbraw/zinc/19/73/20/222197320.db2.gz WYOFQCHZXAITNB-INIZCTEOSA-N 1 2 369.469 3.518 50 0 FHAALO CC(C)n1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc(-c3cc[nH]n3)cc2)C1 ZINC000097717010 222207475 /nfs/dbraw/zinc/20/74/75/222207475.db2.gz MHNLHTBCSHOZJB-SFHVURJKSA-N 1 2 363.465 3.874 50 0 FHAALO CC(=O)c1cc(C(=O)NC[C@@H](c2ccccc2F)[NH+]2CCCC2)cs1 ZINC000097831106 222216390 /nfs/dbraw/zinc/21/63/90/222216390.db2.gz WWXQQZJJUGWBJS-KRWDZBQOSA-N 1 2 360.454 3.657 50 0 FHAALO O=C1C[C@@H]([N@H+]2CC=C(c3ccccc3)CC2)C(=O)N1c1cccc(Cl)c1 ZINC000100128963 222235720 /nfs/dbraw/zinc/23/57/20/222235720.db2.gz BDQPTLZIMQUTHC-LJQANCHMSA-N 1 2 366.848 3.761 50 0 FHAALO O=C1C[C@@H]([N@@H+]2CC=C(c3ccccc3)CC2)C(=O)N1c1cccc(Cl)c1 ZINC000100128963 222235723 /nfs/dbraw/zinc/23/57/23/222235723.db2.gz BDQPTLZIMQUTHC-LJQANCHMSA-N 1 2 366.848 3.761 50 0 FHAALO CCOC(=O)[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000105119468 222365486 /nfs/dbraw/zinc/36/54/86/222365486.db2.gz QYNVFLZSLOSVSD-NEPJUHHUSA-N 1 2 373.280 3.596 50 0 FHAALO CCOC(=O)[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000105119468 222365491 /nfs/dbraw/zinc/36/54/91/222365491.db2.gz QYNVFLZSLOSVSD-NEPJUHHUSA-N 1 2 373.280 3.596 50 0 FHAALO Cc1c[nH]c(CN(C)C(=O)Nc2cccc(NC(=O)C3CCCC3)c2)[nH+]1 ZINC000299787310 533980879 /nfs/dbraw/zinc/98/08/79/533980879.db2.gz UKJLXCZCZMCCGR-UHFFFAOYSA-N 1 2 355.442 3.511 50 0 FHAALO Cc1c[nH]c(CN(C)C(=O)C[C@@]2(c3ccccc3C)CCOC(C)(C)C2)[nH+]1 ZINC000299783076 533982005 /nfs/dbraw/zinc/98/20/05/533982005.db2.gz NRSQFLKCGYCUEE-QFIPXVFZSA-N 1 2 369.509 3.902 50 0 FHAALO CC(C)C[C@@H](C(=O)Nc1ccc(C2CCCC2)cc1)[NH+]1CCN(C)CC1 ZINC000019802269 519770105 /nfs/dbraw/zinc/77/01/05/519770105.db2.gz PTDIHRDFLWQSHR-NRFANRHFSA-N 1 2 357.542 3.945 50 0 FHAALO CCOc1cc(C[NH+]2CCN(C(=O)CCC3CCCC3)CC2)ccc1OC ZINC000019889284 520700691 /nfs/dbraw/zinc/70/06/91/520700691.db2.gz HXFMVHZYEZKATR-UHFFFAOYSA-N 1 2 374.525 3.709 50 0 FHAALO CCOc1ccc(C[NH+]2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1 ZINC000019840658 520972672 /nfs/dbraw/zinc/97/26/72/520972672.db2.gz PQFFQCOFPPOWPK-UHFFFAOYSA-N 1 2 358.869 3.697 50 0 FHAALO CN(CC(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1)C(=O)OC(C)(C)C ZINC000078406158 522508981 /nfs/dbraw/zinc/50/89/81/522508981.db2.gz QYFWQADWEKTUKT-UHFFFAOYSA-N 1 2 358.442 3.636 50 0 FHAALO Cc1ccccc1[C@@H]1C[N@H+](Cc2c[nH+]c(CC3CCCC3)[nH]2)C[C@H]1C(=O)[O-] ZINC000091621478 525389404 /nfs/dbraw/zinc/38/94/04/525389404.db2.gz KMFFNRZHMAWYSO-VQTJNVASSA-N 1 2 367.493 3.751 50 0 FHAALO Cc1ccccc1[C@@H]1C[N@@H+](Cc2c[nH+]c(CC3CCCC3)[nH]2)C[C@H]1C(=O)[O-] ZINC000091621478 525389417 /nfs/dbraw/zinc/38/94/17/525389417.db2.gz KMFFNRZHMAWYSO-VQTJNVASSA-N 1 2 367.493 3.751 50 0 FHAALO COc1cccc(-c2ccc(C(=O)N3CCC[C@H](Cn4cc[nH+]c4)C3)o2)c1 ZINC000091656243 525714133 /nfs/dbraw/zinc/71/41/33/525714133.db2.gz RMSYQAGZHQINCD-MRXNPFEDSA-N 1 2 365.433 3.704 50 0 FHAALO C[C@@H](OCc1ccccc1)C(=O)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000089905209 525912205 /nfs/dbraw/zinc/91/22/05/525912205.db2.gz NTJAZVFPBFBYCS-ZWKOTPCHSA-N 1 2 370.468 3.636 50 0 FHAALO c1c([C@@H]2CCOC2)nnn1CC1CCC(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000091452397 526401098 /nfs/dbraw/zinc/40/10/98/526401098.db2.gz DXFKQMRXJRXTMJ-UYSNPLJNSA-N 1 2 351.454 3.632 50 0 FHAALO O=C(c1ccc2c(c1)CCCO2)N1CCC[C@@H](c2[nH+]ccn2CC2CC2)C1 ZINC000082097182 526723758 /nfs/dbraw/zinc/72/37/58/526723758.db2.gz QZVXINIGASZCFX-LJQANCHMSA-N 1 2 365.477 3.638 50 0 FHAALO Cn1cc(C(=O)N2CCC[C@@H](c3[nH+]ccn3CC3CC3)C2)c2ccccc21 ZINC000082133859 527159032 /nfs/dbraw/zinc/15/90/32/527159032.db2.gz OCLILUFCWJFDPN-QGZVFWFLSA-N 1 2 362.477 3.805 50 0 FHAALO O=C(Nc1ccc(F)cc1)c1nnc(C[N@@H+]2CC[C@H]3CCCC[C@H]3C2)s1 ZINC000245284699 527204976 /nfs/dbraw/zinc/20/49/76/527204976.db2.gz UCEURENELBHAFF-KGLIPLIRSA-N 1 2 374.485 3.942 50 0 FHAALO O=C(Nc1ccc(F)cc1)c1nnc(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)s1 ZINC000245284699 527204980 /nfs/dbraw/zinc/20/49/80/527204980.db2.gz UCEURENELBHAFF-KGLIPLIRSA-N 1 2 374.485 3.942 50 0 FHAALO O=C(Cc1ccccc1Cl)NCCCn1cc[nH+]c1-c1ccccc1 ZINC000085555077 527285699 /nfs/dbraw/zinc/28/56/99/527285699.db2.gz NHPWZFVYXNAYGS-UHFFFAOYSA-N 1 2 353.853 3.953 50 0 FHAALO CCCCc1nc(Cl)c(C[N@@H+]2CCc3nc(-c4cccnc4)[nH]c3C2)[nH]1 ZINC000215192355 568056965 /nfs/dbraw/zinc/05/69/65/568056965.db2.gz PSDVHJRJZLLJFT-UHFFFAOYSA-N 1 2 370.888 3.749 50 0 FHAALO CCCCc1nc(Cl)c(C[N@H+]2CCc3nc(-c4cccnc4)[nH]c3C2)[nH]1 ZINC000215192355 568056966 /nfs/dbraw/zinc/05/69/66/568056966.db2.gz PSDVHJRJZLLJFT-UHFFFAOYSA-N 1 2 370.888 3.749 50 0 FHAALO O[C@@H](c1ccccn1)C1CC[NH+](Cc2c(Cl)cncc2Cl)CC1 ZINC000215410482 568068839 /nfs/dbraw/zinc/06/88/39/568068839.db2.gz WZXQUFGPMFDLKQ-QGZVFWFLSA-N 1 2 352.265 3.729 50 0 FHAALO CSc1cccc(CN(C)C(=O)c2cnc(C[NH+]3CCCC3)s2)c1 ZINC000215871157 568093337 /nfs/dbraw/zinc/09/33/37/568093337.db2.gz CMFJSPZGYGPVGT-UHFFFAOYSA-N 1 2 361.536 3.733 50 0 FHAALO CC1(C)C[C@]1(C(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccccc1F ZINC000215960639 568097690 /nfs/dbraw/zinc/09/76/90/568097690.db2.gz MTCZBFKTIHAOBU-OAQYLSRUSA-N 1 2 372.509 3.899 50 0 FHAALO Cc1cc([C@H]2CCC[N@H+]2Cc2c(Cl)n(C)nc2-c2cc(C)on2)on1 ZINC000216391600 568121382 /nfs/dbraw/zinc/12/13/82/568121382.db2.gz ZPLWGLAYLMMKTE-CQSZACIVSA-N 1 2 361.833 3.670 50 0 FHAALO Cc1cc([C@H]2CCC[N@@H+]2Cc2c(Cl)n(C)nc2-c2cc(C)on2)on1 ZINC000216391600 568121383 /nfs/dbraw/zinc/12/13/83/568121383.db2.gz ZPLWGLAYLMMKTE-CQSZACIVSA-N 1 2 361.833 3.670 50 0 FHAALO Cc1cc([C@@H]2CCC[N@H+]2Cc2c(Cl)n(C)nc2-c2cc(C)on2)on1 ZINC000216391550 568121433 /nfs/dbraw/zinc/12/14/33/568121433.db2.gz ZPLWGLAYLMMKTE-AWEZNQCLSA-N 1 2 361.833 3.670 50 0 FHAALO Cc1cc([C@@H]2CCC[N@@H+]2Cc2c(Cl)n(C)nc2-c2cc(C)on2)on1 ZINC000216391550 568121434 /nfs/dbraw/zinc/12/14/34/568121434.db2.gz ZPLWGLAYLMMKTE-AWEZNQCLSA-N 1 2 361.833 3.670 50 0 FHAALO O=C(CCSCc1ccc(F)cc1)N1CCC[C@@H](Cn2cc[nH+]c2)C1 ZINC000091998154 570444383 /nfs/dbraw/zinc/44/43/83/570444383.db2.gz JCCCSIYRHCYAKP-KRWDZBQOSA-N 1 2 361.486 3.584 50 0 FHAALO CCn1cc[nH+]c1C1CCN(C(=O)c2conc2-c2ccccc2)CC1 ZINC000092047031 570446107 /nfs/dbraw/zinc/44/61/07/570446107.db2.gz XDMSRBUUDSVCIP-UHFFFAOYSA-N 1 2 350.422 3.578 50 0 FHAALO O=C(CSc1ccccn1)N1CCC[C@@H](c2[nH+]ccn2CC2CCC2)C1 ZINC000095355847 570452733 /nfs/dbraw/zinc/45/27/33/570452733.db2.gz DGYGQPBQAOFSCD-QGZVFWFLSA-N 1 2 370.522 3.577 50 0 FHAALO Cc1nc2cc(C(=O)N3CCC[C@@H](c4[nH+]ccn4C(C)C)C3)ccc2[nH]1 ZINC000095358670 570453466 /nfs/dbraw/zinc/45/34/66/570453466.db2.gz FWMOSKWPEBTMPH-MRXNPFEDSA-N 1 2 351.454 3.669 50 0 FHAALO Cc1ncsc1CCC(=O)N1CCC[C@H](c2[nH+]ccn2CC2CCC2)C1 ZINC000095356176 570453491 /nfs/dbraw/zinc/45/34/91/570453491.db2.gz RFYATHHSJQXFPT-KRWDZBQOSA-N 1 2 372.538 3.787 50 0 FHAALO CCOc1cccc(C(=O)N2CCC(c3[nH+]ccn3CC3CC3)CC2)c1 ZINC000095362081 570454386 /nfs/dbraw/zinc/45/43/86/570454386.db2.gz OUPRICUMNYOFCE-UHFFFAOYSA-N 1 2 353.466 3.712 50 0 FHAALO O=C(c1n[nH]c2ccccc21)N1CCC[C@H](c2[nH+]ccn2CC2CCC2)C1 ZINC000095499185 570462247 /nfs/dbraw/zinc/46/22/47/570462247.db2.gz PMCZXMFWCDUYIC-INIZCTEOSA-N 1 2 363.465 3.579 50 0 FHAALO CCOc1ccc(NC(=O)N(C)Cc2[nH]cc(C)[nH+]2)cc1C(F)(F)F ZINC000095499675 570462822 /nfs/dbraw/zinc/46/28/22/570462822.db2.gz AGNOVSATNUUJRW-UHFFFAOYSA-N 1 2 356.348 3.800 50 0 FHAALO CC(C)c1nc(C[N@H+](C)C2CCN(c3nc4ccccc4s3)CC2)no1 ZINC000095502828 570463456 /nfs/dbraw/zinc/46/34/56/570463456.db2.gz UXYDIEOPDCQFRF-UHFFFAOYSA-N 1 2 371.510 3.904 50 0 FHAALO CC(C)c1nc(C[N@@H+](C)C2CCN(c3nc4ccccc4s3)CC2)no1 ZINC000095502828 570463460 /nfs/dbraw/zinc/46/34/60/570463460.db2.gz UXYDIEOPDCQFRF-UHFFFAOYSA-N 1 2 371.510 3.904 50 0 FHAALO O=C(Cn1ccc2ccccc21)N1CCC[C@@H](c2[nH+]ccn2CC2CC2)C1 ZINC000095506041 570464318 /nfs/dbraw/zinc/46/43/18/570464318.db2.gz DRUHCFWLAIULPX-LJQANCHMSA-N 1 2 362.477 3.654 50 0 FHAALO Cc1ccc(CC(=O)N2CCC[C@@H](c3[nH+]ccn3Cc3ccncc3)C2)cc1 ZINC000095519695 570467121 /nfs/dbraw/zinc/46/71/21/570467121.db2.gz CCLVWKLZTXYOSE-OAQYLSRUSA-N 1 2 374.488 3.584 50 0 FHAALO O=C(CC1CCCC1)N1CCC(c2[nH+]ccn2Cc2ccccn2)CC1 ZINC000095522037 570467245 /nfs/dbraw/zinc/46/72/45/570467245.db2.gz CTGUTRBJZFJKNZ-UHFFFAOYSA-N 1 2 352.482 3.613 50 0 FHAALO CCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc(-c3ccccc3)n2C)C1 ZINC000095522572 570468049 /nfs/dbraw/zinc/46/80/49/570468049.db2.gz LLSREEAJTWGKMR-SFHVURJKSA-N 1 2 362.477 3.928 50 0 FHAALO Cc1ccc2[nH+]c(COc3cccc(C(=O)Nc4cccnc4)c3)cn2c1 ZINC000011609013 570482980 /nfs/dbraw/zinc/48/29/80/570482980.db2.gz ZIELBMPCAXJXOG-UHFFFAOYSA-N 1 2 358.401 3.869 50 0 FHAALO C[C@@H](Sc1[nH+]cnc2c1cnn2C)C(=O)Nc1ccc2ccccc2c1 ZINC000011681537 570541585 /nfs/dbraw/zinc/54/15/85/570541585.db2.gz BXDLFDYCKKCEAB-GFCCVEGCSA-N 1 2 363.446 3.636 50 0 FHAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1cn(C)c2ccccc12)c1cccc(F)c1 ZINC000024015260 570548242 /nfs/dbraw/zinc/54/82/42/570548242.db2.gz OBVZTDJUFIKDJO-IBGZPJMESA-N 1 2 362.408 3.570 50 0 FHAALO CC(C)CCn1c2ccccc2[nH+]c1N1CCC(C(=O)N2CCCC2)CC1 ZINC000034906761 570559804 /nfs/dbraw/zinc/55/98/04/570559804.db2.gz MNFWUZFUVMWFQL-UHFFFAOYSA-N 1 2 368.525 3.921 50 0 FHAALO CCCCn1c2ccccc2[nH+]c1N1CCC(C(=O)NCC(C)C)CC1 ZINC000034909991 570560446 /nfs/dbraw/zinc/56/04/46/570560446.db2.gz HUCXQSQXHKBSFV-UHFFFAOYSA-N 1 2 356.514 3.825 50 0 FHAALO C[C@H](CNC(=O)C1CCN(c2[nH]c3ccccc3[nH+]2)CC1)c1ccccc1 ZINC000004955249 570567036 /nfs/dbraw/zinc/56/70/36/570567036.db2.gz GELJEINWCDNYFL-MRXNPFEDSA-N 1 2 362.477 3.699 50 0 FHAALO O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000004957207 570567256 /nfs/dbraw/zinc/56/72/56/570567256.db2.gz OQJSXJPAJMICFD-UHFFFAOYSA-N 1 2 351.237 3.743 50 0 FHAALO C[NH+](C)c1ccc(N[C@@H]2CC(=O)N(c3cccc4ccccc43)C2=O)cc1 ZINC000004317722 570584896 /nfs/dbraw/zinc/58/48/96/570584896.db2.gz PDFLSMSXRBHWCE-LJQANCHMSA-N 1 2 359.429 3.650 50 0 FHAALO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@@H](C)c2cc3ccccc3o2)CC1 ZINC000176397426 570593578 /nfs/dbraw/zinc/59/35/78/570593578.db2.gz MLHYGESMPBWNMS-DLBZAZTESA-N 1 2 363.461 3.837 50 0 FHAALO COc1ccc(OC)c([C@@H](C)NC(=O)C[N@@H+]2CCc3sccc3[C@H]2C)c1 ZINC000248186642 570602240 /nfs/dbraw/zinc/60/22/40/570602240.db2.gz ICFAJLMCRGTFSB-ZIAGYGMSSA-N 1 2 374.506 3.562 50 0 FHAALO COc1ccc(OC)c([C@@H](C)NC(=O)C[N@H+]2CCc3sccc3[C@H]2C)c1 ZINC000248186642 570602244 /nfs/dbraw/zinc/60/22/44/570602244.db2.gz ICFAJLMCRGTFSB-ZIAGYGMSSA-N 1 2 374.506 3.562 50 0 FHAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)NCC4CCC4)csc3C2)nc1 ZINC000426555666 570615228 /nfs/dbraw/zinc/61/52/28/570615228.db2.gz QRMSTBLGBMWSCU-UHFFFAOYSA-N 1 2 369.534 3.794 50 0 FHAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)NCC4CCC4)csc3C2)nc1 ZINC000426555666 570615231 /nfs/dbraw/zinc/61/52/31/570615231.db2.gz QRMSTBLGBMWSCU-UHFFFAOYSA-N 1 2 369.534 3.794 50 0 FHAALO CCc1nn2c(nc(C)cc2NCCCn2cc[nH+]c2)c1-c1ccccc1 ZINC000005207265 570622308 /nfs/dbraw/zinc/62/23/08/570622308.db2.gz OTDVQWJNYFFJJP-UHFFFAOYSA-N 1 2 360.465 3.966 50 0 FHAALO O=S1(=O)c2cccc3cccc(c23)N1Cc1cn2cc(Cl)ccc2[nH+]1 ZINC000005184882 570630034 /nfs/dbraw/zinc/63/00/34/570630034.db2.gz SWAAEYWJKYNAHS-UHFFFAOYSA-N 1 2 369.833 3.850 50 0 FHAALO Cc1ccc(Oc2ncccc2CNC(=O)[C@H](C)n2cc[nH+]c2)c(F)c1F ZINC000011664111 570704689 /nfs/dbraw/zinc/70/46/89/570704689.db2.gz OLDZNHMTCJZUMT-ZDUSSCGKSA-N 1 2 372.375 3.534 50 0 FHAALO CC(C)Cc1cc(C[N@@H+]2CCC[C@H](C(=O)c3cc(F)ccc3F)C2)[nH]n1 ZINC000011816787 570707654 /nfs/dbraw/zinc/70/76/54/570707654.db2.gz GBKOCULNHUJXJF-AWEZNQCLSA-N 1 2 361.436 3.981 50 0 FHAALO CC(C)Cc1cc(C[N@H+]2CCC[C@H](C(=O)c3cc(F)ccc3F)C2)[nH]n1 ZINC000011816787 570707657 /nfs/dbraw/zinc/70/76/57/570707657.db2.gz GBKOCULNHUJXJF-AWEZNQCLSA-N 1 2 361.436 3.981 50 0 FHAALO Cc1cccc(-c2cccc(NC(=O)[C@@H]3CCCN3Cc3[nH+]ccn3C)c2)c1 ZINC000012303116 570734513 /nfs/dbraw/zinc/73/45/13/570734513.db2.gz MRGQVHWNICZBBR-NRFANRHFSA-N 1 2 374.488 3.999 50 0 FHAALO O=C(c1ccccc1-c1[nH]cc[nH+]1)N1CCC[C@H](Nc2ccc(F)cc2)C1 ZINC000012307147 570734992 /nfs/dbraw/zinc/73/49/92/570734992.db2.gz LIPBERREXUXBRN-KRWDZBQOSA-N 1 2 364.424 3.933 50 0 FHAALO Cc1ccc(N2CC[N@@H+](CC(=O)Nc3cccc(C)c3C)C[C@@H]2C)cc1 ZINC000014216279 570813135 /nfs/dbraw/zinc/81/31/35/570813135.db2.gz NKXFFBLWMFVXMQ-SFHVURJKSA-N 1 2 351.494 3.761 50 0 FHAALO Cc1ccc(N2CC[N@H+](CC(=O)Nc3cccc(C)c3C)C[C@@H]2C)cc1 ZINC000014216279 570813145 /nfs/dbraw/zinc/81/31/45/570813145.db2.gz NKXFFBLWMFVXMQ-SFHVURJKSA-N 1 2 351.494 3.761 50 0 FHAALO Cc1cc(C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)c(C)n1Cc1ccccn1 ZINC000120232778 570861300 /nfs/dbraw/zinc/86/13/00/570861300.db2.gz RKQJSVHPZIQDBX-IBGZPJMESA-N 1 2 363.465 3.639 50 0 FHAALO O=C(c1cccc(OCc2ccccc2)c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000018149016 570875516 /nfs/dbraw/zinc/87/55/16/570875516.db2.gz AXMFNVSDNJCRSB-UHFFFAOYSA-N 1 2 373.456 3.623 50 0 FHAALO Cn1cc[nH+]c1[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)c1ccc(F)cc1 ZINC000108992456 570910429 /nfs/dbraw/zinc/91/04/29/570910429.db2.gz DPWBKXUOTPSOHD-IPMKNSEASA-N 1 2 367.399 3.708 50 0 FHAALO O=C(NCc1ccc(N2CCOCC2)[nH+]c1)c1ccccc1-c1ccccc1 ZINC000010718706 570927208 /nfs/dbraw/zinc/92/72/08/570927208.db2.gz GTGBZCMHQRSUAC-UHFFFAOYSA-N 1 2 373.456 3.515 50 0 FHAALO Cc1[nH+]c2ccccc2n1CCNC(=O)[C@@H](C)Oc1ccc(Cl)cc1 ZINC000010737264 570928756 /nfs/dbraw/zinc/92/87/56/570928756.db2.gz UJAQRZYSTSYOMW-CYBMUJFWSA-N 1 2 357.841 3.582 50 0 FHAALO C[C@@H](c1nc2ccccc2n1C(F)F)N1CC[NH+](Cc2ccccn2)CC1 ZINC000047705145 570929998 /nfs/dbraw/zinc/92/99/98/570929998.db2.gz KHFOSYPHRMZKDJ-HNNXBMFYSA-N 1 2 371.435 3.705 50 0 FHAALO Cc1nc2nc(=S)n(C[N@@H+]3CCC[C@H]3c3ccccc3)n2c(C)c1C ZINC000048343194 570948628 /nfs/dbraw/zinc/94/86/28/570948628.db2.gz PGCBHJOFONDVIE-KRWDZBQOSA-N 1 2 353.495 3.980 50 0 FHAALO Cc1nc2nc(=S)n(C[N@H+]3CCC[C@H]3c3ccccc3)n2c(C)c1C ZINC000048343194 570948630 /nfs/dbraw/zinc/94/86/30/570948630.db2.gz PGCBHJOFONDVIE-KRWDZBQOSA-N 1 2 353.495 3.980 50 0 FHAALO C[N@@H+](Cc1ccc(Cl)cc1)CN1C(=O)NC2(CCCCCCC2)C1=O ZINC000023641350 570965916 /nfs/dbraw/zinc/96/59/16/570965916.db2.gz FYLXDYHNZJTGBE-UHFFFAOYSA-N 1 2 363.889 3.764 50 0 FHAALO C[N@H+](Cc1ccc(Cl)cc1)CN1C(=O)NC2(CCCCCCC2)C1=O ZINC000023641350 570965919 /nfs/dbraw/zinc/96/59/19/570965919.db2.gz FYLXDYHNZJTGBE-UHFFFAOYSA-N 1 2 363.889 3.764 50 0 FHAALO CC[C@@]1(c2ccccc2)NC(=O)N(C[N@H+](C)Cc2ccc(Cl)cc2)C1=O ZINC000023731330 570966686 /nfs/dbraw/zinc/96/66/86/570966686.db2.gz WOAZBGPMUBUTOC-FQEVSTJZSA-N 1 2 371.868 3.587 50 0 FHAALO CC[C@@]1(c2ccccc2)NC(=O)N(C[N@@H+](C)Cc2ccc(Cl)cc2)C1=O ZINC000023731330 570966692 /nfs/dbraw/zinc/96/66/92/570966692.db2.gz WOAZBGPMUBUTOC-FQEVSTJZSA-N 1 2 371.868 3.587 50 0 FHAALO CC(C)c1ccc(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000024045460 570970840 /nfs/dbraw/zinc/97/08/40/570970840.db2.gz UURVWAQQQUHUMU-OAQYLSRUSA-N 1 2 352.478 3.613 50 0 FHAALO O=C(Nc1nc(C[NH+]2CCCC2)cs1)c1cc2ccccc2cc1O ZINC000024987304 570988322 /nfs/dbraw/zinc/98/83/22/570988322.db2.gz MLYANVFWWBHSCQ-UHFFFAOYSA-N 1 2 353.447 3.850 50 0 FHAALO C[C@@H](NC(=O)c1ccc(Cl)cc1)[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000025329485 570993909 /nfs/dbraw/zinc/99/39/09/570993909.db2.gz OBNKGUWRXYIFFA-BEFAXECRSA-N 1 2 358.869 3.532 50 0 FHAALO CC[C@H](C)c1ccc([C@H](O)C[NH+]2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000025571746 570997397 /nfs/dbraw/zinc/99/73/97/570997397.db2.gz VCECKLPMFIIXSX-QFBILLFUSA-N 1 2 372.534 3.753 50 0 FHAALO O=C1c2ccccc2C(=O)N1CC[N@@H+](Cc1c(F)cccc1Cl)C1CC1 ZINC000027369872 571011995 /nfs/dbraw/zinc/01/19/95/571011995.db2.gz RVOQDYZNJNRESY-UHFFFAOYSA-N 1 2 372.827 3.740 50 0 FHAALO O=C1c2ccccc2C(=O)N1CC[N@H+](Cc1c(F)cccc1Cl)C1CC1 ZINC000027369872 571011998 /nfs/dbraw/zinc/01/19/98/571011998.db2.gz RVOQDYZNJNRESY-UHFFFAOYSA-N 1 2 372.827 3.740 50 0 FHAALO Cn1cc[nH+]c1[C@@H](NC(=O)[C@H]1CCCc2ccccc21)c1ccccc1F ZINC000040059008 571014402 /nfs/dbraw/zinc/01/44/02/571014402.db2.gz HOXASFDOAUNFRJ-PXNSSMCTSA-N 1 2 363.436 3.885 50 0 FHAALO CC(C)(C)c1ccc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)cc1 ZINC000028291004 571029998 /nfs/dbraw/zinc/02/99/98/571029998.db2.gz LWRPCIZSVAVZHU-OAQYLSRUSA-N 1 2 366.505 3.787 50 0 FHAALO CC(C)c1ccccc1NC(=O)[C@H](C)[NH+]1CCN(c2ccccc2O)CC1 ZINC000008309101 571039158 /nfs/dbraw/zinc/03/91/58/571039158.db2.gz CWTIEPDXCNRCIP-KRWDZBQOSA-N 1 2 367.493 3.665 50 0 FHAALO O[C@@H](c1ccccc1)C1CC[NH+](Cc2nc(-c3cccs3)no2)CC1 ZINC000029477469 571040483 /nfs/dbraw/zinc/04/04/83/571040483.db2.gz RUYLNTGVGATJSG-SFHVURJKSA-N 1 2 355.463 3.744 50 0 FHAALO CCN(Cc1ccc(OC)c(F)c1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000030515144 571047665 /nfs/dbraw/zinc/04/76/65/571047665.db2.gz PHCFWYWXOBXCFF-UHFFFAOYSA-N 1 2 353.397 3.682 50 0 FHAALO COc1cccc(N2CC[NH+]([C@@H](C)c3nnc(-c4ccccc4)o3)CC2)c1 ZINC000030963841 571053407 /nfs/dbraw/zinc/05/34/07/571053407.db2.gz PJAGNKDAKJWYPM-INIZCTEOSA-N 1 2 364.449 3.628 50 0 FHAALO CN(CCCn1cc[nH+]c1)C(=O)Nc1cccc(Oc2ccccn2)c1 ZINC000083860870 571054457 /nfs/dbraw/zinc/05/44/57/571054457.db2.gz JMRMNFQOUJAMIK-UHFFFAOYSA-N 1 2 351.410 3.624 50 0 FHAALO CC(C)(C)c1ccc(NC(=O)N2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000040096414 571075952 /nfs/dbraw/zinc/07/59/52/571075952.db2.gz DKHJQRVKOPJCKH-UHFFFAOYSA-N 1 2 352.482 3.729 50 0 FHAALO O=C(NCc1ccc(N2CCCC2)[nH+]c1)c1cnc(-c2ccccc2)s1 ZINC000040106608 571077726 /nfs/dbraw/zinc/07/77/26/571077726.db2.gz SNZHZHRKHJUJKR-UHFFFAOYSA-N 1 2 364.474 3.735 50 0 FHAALO Cc1ccc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1N1CCCC1=O ZINC000044855147 571103148 /nfs/dbraw/zinc/10/31/48/571103148.db2.gz 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C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@H+]1CCc2sccc2C1 ZINC000010107070 571122642 /nfs/dbraw/zinc/12/26/42/571122642.db2.gz QOHPRISRXNMEQI-LLVKDONJSA-N 1 2 352.406 3.735 50 0 FHAALO CC(C)c1ccc(Nc2nc(N3CCCC3)[nH+]c(N3CCCC3)n2)cc1 ZINC000010213475 571123520 /nfs/dbraw/zinc/12/35/20/571123520.db2.gz HTSUTRKZRTVVLF-UHFFFAOYSA-N 1 2 352.486 3.939 50 0 FHAALO O=c1nc(C[N@@H+]2CCC[C@@H]2c2ccccc2)[nH]c2sc3c(c21)CCC3 ZINC000010339893 571125304 /nfs/dbraw/zinc/12/53/04/571125304.db2.gz RJDHRXOXBARNCP-OAHLLOKOSA-N 1 2 351.475 3.810 50 0 FHAALO O=c1nc(C[N@H+]2CCC[C@@H]2c2ccccc2)[nH]c2sc3c(c21)CCC3 ZINC000010339893 571125305 /nfs/dbraw/zinc/12/53/05/571125305.db2.gz RJDHRXOXBARNCP-OAHLLOKOSA-N 1 2 351.475 3.810 50 0 FHAALO Clc1ccc(-n2ncc3c2nc[nH+]c3NC[C@H]2CCCO2)cc1Cl ZINC000010386443 571125889 /nfs/dbraw/zinc/12/58/89/571125889.db2.gz ABMSJRWWMTYFBZ-LLVKDONJSA-N 1 2 364.236 3.713 50 0 FHAALO Cc1ccc(-c2ccnc(C[C@H]3CC(=O)N(c4ccccc4)C3)n2)c(C)[nH+]1 ZINC000252488590 571132560 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Cc1cc(N)nc(S[C@H](C)C(=O)c2ccc(NC(=O)C(C)(C)C)cc2)[nH+]1 ZINC000031745787 571353479 /nfs/dbraw/zinc/35/34/79/571353479.db2.gz AHQSQGUNVCALTO-GFCCVEGCSA-N 1 2 372.494 3.715 50 0 FHAALO CCCc1[nH+]c2ccccc2n1C[C@@H](O)COc1ccc(C(C)=O)cc1 ZINC000004094507 571355218 /nfs/dbraw/zinc/35/52/18/571355218.db2.gz BBOVAGNEPDYLMT-QGZVFWFLSA-N 1 2 352.434 3.631 50 0 FHAALO Cc1c[nH+]c(-c2cccnc2)n1C[C@H]1CCCN(C(=O)c2cccs2)C1 ZINC000581808017 940616550 /nfs/dbraw/zinc/61/65/50/940616550.db2.gz VIEHFJUCZKMUNM-INIZCTEOSA-N 1 2 366.490 3.867 50 0 FHAALO Cc1oc2nc(C[N@@H+]3CC[C@H](Oc4cccc(Cl)c4)C3)nc(N)c2c1C ZINC000120405198 945490158 /nfs/dbraw/zinc/49/01/58/945490158.db2.gz SMKQSJFKKBHVAD-HNNXBMFYSA-N 1 2 372.856 3.729 50 0 FHAALO Cc1oc2nc(C[N@H+]3CC[C@H](Oc4cccc(Cl)c4)C3)nc(N)c2c1C ZINC000120405198 945490166 /nfs/dbraw/zinc/49/01/66/945490166.db2.gz SMKQSJFKKBHVAD-HNNXBMFYSA-N 1 2 372.856 3.729 50 0 FHAALO c1s/c(=N/c2ccccc2)n(CC[NH+]2CCOCC2)c1-c1ccccc1 ZINC000000623181 219305715 /nfs/dbraw/zinc/30/57/15/219305715.db2.gz AWOZOTYYIIZEQB-QURGRASLSA-N 1 2 365.502 3.781 50 0 FHAALO Cc1c2[nH+]c[nH]c2cc(NC(=O)NCC[C@H]2COc3ccccc3O2)c1C ZINC000299779007 223092900 /nfs/dbraw/zinc/09/29/00/223092900.db2.gz POQDPEMODWRQSU-AWEZNQCLSA-N 1 2 366.421 3.531 50 0 FHAALO Cc1c2[nH]c[nH+]c2cc(NC(=O)NCC[C@H]2COc3ccccc3O2)c1C ZINC000299779007 223092903 /nfs/dbraw/zinc/09/29/03/223092903.db2.gz POQDPEMODWRQSU-AWEZNQCLSA-N 1 2 366.421 3.531 50 0 FHAALO O=C(c1cccc(-c2cccs2)c1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000299802216 223105327 /nfs/dbraw/zinc/10/53/27/223105327.db2.gz YDFOKAQQDOMOKL-IBGZPJMESA-N 1 2 370.518 3.742 50 0 FHAALO Cc1ccccc1OCC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000012529965 220003113 /nfs/dbraw/zinc/00/31/13/220003113.db2.gz CNUVLGYVZDATIV-IBGZPJMESA-N 1 2 369.852 3.667 50 0 FHAALO Cc1ccn2cc(C(=O)Nc3nc(C[N@H+]4CCC[C@H](C)C4)cs3)nc2c1 ZINC000012532373 220003705 /nfs/dbraw/zinc/00/37/05/220003705.db2.gz FTIKOMOZTIEZID-AWEZNQCLSA-N 1 2 369.494 3.583 50 0 FHAALO Cc1ccn2cc(C(=O)Nc3nc(C[N@@H+]4CCC[C@H](C)C4)cs3)nc2c1 ZINC000012532373 220003707 /nfs/dbraw/zinc/00/37/07/220003707.db2.gz FTIKOMOZTIEZID-AWEZNQCLSA-N 1 2 369.494 3.583 50 0 FHAALO CSc1ccc(C[N@H+](C)Cc2nc(N)nc(Nc3ccccc3)n2)cc1 ZINC000012533978 220003748 /nfs/dbraw/zinc/00/37/48/220003748.db2.gz KCMRDALEJSKTLG-UHFFFAOYSA-N 1 2 366.494 3.551 50 0 FHAALO CSc1ccc(C[N@@H+](C)Cc2nc(N)nc(Nc3ccccc3)n2)cc1 ZINC000012533978 220003751 /nfs/dbraw/zinc/00/37/51/220003751.db2.gz KCMRDALEJSKTLG-UHFFFAOYSA-N 1 2 366.494 3.551 50 0 FHAALO Cc1ccc(O[C@H](C)C(=O)N[C@H](c2[nH+]ccn2C)c2ccc(F)cc2)cc1 ZINC000012576812 220009531 /nfs/dbraw/zinc/00/95/31/220009531.db2.gz DEUAOYKCBQEOOZ-BEFAXECRSA-N 1 2 367.424 3.541 50 0 FHAALO c1nc2sc3c(c2c(Sc2nnc(C[NH+]4CCCCC4)o2)n1)CCC3 ZINC000012681146 220018056 /nfs/dbraw/zinc/01/80/56/220018056.db2.gz QCPRSEJGNZXFIU-UHFFFAOYSA-N 1 2 373.507 3.700 50 0 FHAALO Cc1ccccc1OCC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000012996499 220050355 /nfs/dbraw/zinc/05/03/55/220050355.db2.gz PKRWDYAMJIPPHS-UHFFFAOYSA-N 1 2 359.495 3.701 50 0 FHAALO COc1cccc([C@H](CNC(=O)c2ccc(C(C)=O)s2)[NH+]2CCCC2)c1 ZINC000013010721 220052793 /nfs/dbraw/zinc/05/27/93/220052793.db2.gz AOKCLUXNOFFKKI-KRWDZBQOSA-N 1 2 372.490 3.526 50 0 FHAALO C[N@H+](CCSc1ccc(Cl)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000013063520 220055980 /nfs/dbraw/zinc/05/59/80/220055980.db2.gz AECIFHIBBRSJHY-UHFFFAOYSA-N 1 2 359.882 3.801 50 0 FHAALO C[N@@H+](CCSc1ccc(Cl)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000013063520 220055983 /nfs/dbraw/zinc/05/59/83/220055983.db2.gz AECIFHIBBRSJHY-UHFFFAOYSA-N 1 2 359.882 3.801 50 0 FHAALO COc1ccc([C@@H]2CCCCC[N@@H+]2Cc2nnnn2-c2ccccc2)cc1 ZINC000014019726 220102678 /nfs/dbraw/zinc/10/26/78/220102678.db2.gz CWCFFVJGNSJUNM-FQEVSTJZSA-N 1 2 363.465 3.788 50 0 FHAALO COc1ccc([C@@H]2CCCCC[N@H+]2Cc2nnnn2-c2ccccc2)cc1 ZINC000014019726 220102682 /nfs/dbraw/zinc/10/26/82/220102682.db2.gz CWCFFVJGNSJUNM-FQEVSTJZSA-N 1 2 363.465 3.788 50 0 FHAALO C[C@H](C(=O)Nc1ccccc1Cl)[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000014018066 220102863 /nfs/dbraw/zinc/10/28/63/220102863.db2.gz SBXWPLQJWPQICD-OAHLLOKOSA-N 1 2 368.868 3.985 50 0 FHAALO C[C@H](C(=O)Nc1ccccc1Cl)[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000014018066 220102865 /nfs/dbraw/zinc/10/28/65/220102865.db2.gz SBXWPLQJWPQICD-OAHLLOKOSA-N 1 2 368.868 3.985 50 0 FHAALO Fc1ccc([C@@H]([NH2+]Cc2nnnn2-c2ccccc2)c2cccs2)cc1 ZINC000014199164 220115846 /nfs/dbraw/zinc/11/58/46/220115846.db2.gz CJZOWGBGKNZUEH-LJQANCHMSA-N 1 2 365.437 3.742 50 0 FHAALO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2nc3ccccc3s2)cc1 ZINC000015025716 220143153 /nfs/dbraw/zinc/14/31/53/220143153.db2.gz AWMSAEDNESYRTK-CYBMUJFWSA-N 1 2 355.463 3.764 50 0 FHAALO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2nc3ccccc3s2)cc1 ZINC000015025716 220143156 /nfs/dbraw/zinc/14/31/56/220143156.db2.gz AWMSAEDNESYRTK-CYBMUJFWSA-N 1 2 355.463 3.764 50 0 FHAALO CCCCc1ncc(C[N@@H+]2CCC[C@H](Nc3ccc(OC)c(OC)c3)C2)[nH]1 ZINC000015064205 220143944 /nfs/dbraw/zinc/14/39/44/220143944.db2.gz QXDIKAFPKJQBHY-KRWDZBQOSA-N 1 2 372.513 3.846 50 0 FHAALO CCCCc1ncc(C[N@H+]2CCC[C@H](Nc3ccc(OC)c(OC)c3)C2)[nH]1 ZINC000015064205 220143948 /nfs/dbraw/zinc/14/39/48/220143948.db2.gz QXDIKAFPKJQBHY-KRWDZBQOSA-N 1 2 372.513 3.846 50 0 FHAALO CCc1ccc(-c2cc(C(=O)N3CC[NH+](C4CCCCC4)CC3)n[nH]2)cc1 ZINC000015679300 220160376 /nfs/dbraw/zinc/16/03/76/220160376.db2.gz OVROLWBNZPMKET-UHFFFAOYSA-N 1 2 366.509 3.730 50 0 FHAALO C[C@H](NC(=O)c1cc(F)c(F)c(F)c1F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000015940968 220171929 /nfs/dbraw/zinc/17/19/29/220171929.db2.gz VAZWTRSVWFOPEK-JTQLQIEISA-N 1 2 363.314 3.920 50 0 FHAALO Cc1c2ccccc2oc1C(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000016580471 220187765 /nfs/dbraw/zinc/18/77/65/220187765.db2.gz UWEZFIOQYPRPCZ-UHFFFAOYSA-N 1 2 352.409 3.838 50 0 FHAALO Cc1cccc(C(C)C)c1NC(=O)C[N@H+](C)C[C@H]1COc2ccccc2O1 ZINC000016628920 220188927 /nfs/dbraw/zinc/18/89/27/220188927.db2.gz BDQPIJBBQVTHKG-KRWDZBQOSA-N 1 2 368.477 3.829 50 0 FHAALO Cc1cccc(C(C)C)c1NC(=O)C[N@@H+](C)C[C@H]1COc2ccccc2O1 ZINC000016628920 220188931 /nfs/dbraw/zinc/18/89/31/220188931.db2.gz BDQPIJBBQVTHKG-KRWDZBQOSA-N 1 2 368.477 3.829 50 0 FHAALO COc1ccc(-c2nc(C[N@@H+]3CCC[C@H]3c3nonc3C)c(C)o2)cc1C ZINC000019218673 220240838 /nfs/dbraw/zinc/24/08/38/220240838.db2.gz DXACVTXXWGZCSN-KRWDZBQOSA-N 1 2 368.437 3.996 50 0 FHAALO COc1ccc(-c2nc(C[N@H+]3CCC[C@H]3c3nonc3C)c(C)o2)cc1C ZINC000019218673 220240839 /nfs/dbraw/zinc/24/08/39/220240839.db2.gz DXACVTXXWGZCSN-KRWDZBQOSA-N 1 2 368.437 3.996 50 0 FHAALO CCOC(=O)c1c[nH+]c2ccc(C(=O)OC)cc2c1NCc1ccccc1 ZINC000019530880 220269630 /nfs/dbraw/zinc/26/96/30/220269630.db2.gz KZWFZYQDBZKDNH-UHFFFAOYSA-N 1 2 364.401 3.810 50 0 FHAALO Cc1[nH]c2ccc(Oc3ccccc3)cc2c(=O)c1C[NH+]1CCN(C)CC1 ZINC000019793249 220295565 /nfs/dbraw/zinc/29/55/65/220295565.db2.gz VUXDTEGTUKVVGC-UHFFFAOYSA-N 1 2 363.461 3.789 50 0 FHAALO CCc1ccc(C(=O)C[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@H+]2C)cc1 ZINC000020112738 220313438 /nfs/dbraw/zinc/31/34/38/220313438.db2.gz PFVHWLQZPXIAEQ-KRWDZBQOSA-N 1 2 367.445 3.788 50 0 FHAALO CCc1ccc(C(=O)C[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)cc1 ZINC000020112738 220313442 /nfs/dbraw/zinc/31/34/42/220313442.db2.gz PFVHWLQZPXIAEQ-KRWDZBQOSA-N 1 2 367.445 3.788 50 0 FHAALO Cc1cccc(C[N@@H+]2CCO[C@H](Cc3cccc(C(F)(F)F)c3)C2)n1 ZINC000020204084 220318292 /nfs/dbraw/zinc/31/82/92/220318292.db2.gz QKZQYPSNFUVITG-GOSISDBHSA-N 1 2 350.384 3.852 50 0 FHAALO Cc1cccc(C[N@H+]2CCO[C@H](Cc3cccc(C(F)(F)F)c3)C2)n1 ZINC000020204084 220318294 /nfs/dbraw/zinc/31/82/94/220318294.db2.gz QKZQYPSNFUVITG-GOSISDBHSA-N 1 2 350.384 3.852 50 0 FHAALO CCCCCn1c2ccccc2n(C[C@H](O)COc2ccccc2C)c1=[NH2+] ZINC000020332484 220322412 /nfs/dbraw/zinc/32/24/12/220322412.db2.gz MQUBPUGYERSITR-SFHVURJKSA-N 1 2 367.493 3.861 50 0 FHAALO CCCCCn1c2ccccc2n(C[C@H](O)COc2ccccc2)c1=[NH2+] ZINC000020330030 220322785 /nfs/dbraw/zinc/32/27/85/220322785.db2.gz UBFHLTNHWQMEEL-KRWDZBQOSA-N 1 2 353.466 3.552 50 0 FHAALO Cn1cccc1[C@H](CNC(=O)c1cccs1)[N@@H+]1CCc2ccccc2C1 ZINC000021151642 220353500 /nfs/dbraw/zinc/35/35/00/220353500.db2.gz DDUGGXAMXVAJRO-IBGZPJMESA-N 1 2 365.502 3.616 50 0 FHAALO Cn1cccc1[C@H](CNC(=O)c1cccs1)[N@H+]1CCc2ccccc2C1 ZINC000021151642 220353504 /nfs/dbraw/zinc/35/35/04/220353504.db2.gz DDUGGXAMXVAJRO-IBGZPJMESA-N 1 2 365.502 3.616 50 0 FHAALO CCc1cccc(CC)c1NC(=O)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000022287032 220381410 /nfs/dbraw/zinc/38/14/10/220381410.db2.gz AKFOKLCDTOHDQN-UHFFFAOYSA-N 1 2 352.478 3.896 50 0 FHAALO O=C(c1ccco1)N1CC[NH+]([C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000022665945 220394049 /nfs/dbraw/zinc/39/40/49/220394049.db2.gz ZGDITYMECVWFAW-OAQYLSRUSA-N 1 2 364.420 3.966 50 0 FHAALO Cc1cn(CC(=O)Nc2cc(C(C)(C)C)nn2C)c(-c2ccccc2)[nH+]1 ZINC000048187513 221000646 /nfs/dbraw/zinc/00/06/46/221000646.db2.gz OZVPSLXSEIEBOK-UHFFFAOYSA-N 1 2 351.454 3.528 50 0 FHAALO COc1ccc(/C=C/c2nn3c(C[NH+]4CCCCCC4)nnc3s2)cc1 ZINC000049546284 221025153 /nfs/dbraw/zinc/02/51/53/221025153.db2.gz CGZSZNOIUBHPRU-DHZHZOJOSA-N 1 2 369.494 3.741 50 0 FHAALO COc1c(C)c[nH+]c(CNC(=O)N2CCCCC[C@H]2c2ccncc2)c1C ZINC000051755599 221036435 /nfs/dbraw/zinc/03/64/35/221036435.db2.gz QQHCVBIPMOLNAN-IBGZPJMESA-N 1 2 368.481 3.929 50 0 FHAALO Cc1cccc(-c2ncc(C[NH2+][C@@H](C)c3nc(-c4ccncc4)no3)cn2)c1 ZINC000055099307 221058400 /nfs/dbraw/zinc/05/84/00/221058400.db2.gz LGJRVBUDZUQLOU-HNNXBMFYSA-N 1 2 372.432 3.748 50 0 FHAALO CCC(=O)Nc1ccc(NC(=O)Cc2c[nH+]c3c(C)cccn23)cc1Cl ZINC000055099163 221058490 /nfs/dbraw/zinc/05/84/90/221058490.db2.gz COSMHYCNSLPDRW-UHFFFAOYSA-N 1 2 370.840 3.826 50 0 FHAALO COc1ccccc1CN(Cc1cccc(C)c1)C(=O)CCn1cc[nH+]c1 ZINC000055341733 221067580 /nfs/dbraw/zinc/06/75/80/221067580.db2.gz MFJRLHCVNGFKJI-UHFFFAOYSA-N 1 2 363.461 3.819 50 0 FHAALO CCOc1ccc(-c2nn3c(C[NH+]4CCCCCC4)nnc3s2)cc1 ZINC000057524582 221090333 /nfs/dbraw/zinc/09/03/33/221090333.db2.gz VORZQGCUKZVKHX-UHFFFAOYSA-N 1 2 357.483 3.628 50 0 FHAALO O=C(c1ccc(-c2ccccc2Cl)o1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000057606372 221091383 /nfs/dbraw/zinc/09/13/83/221091383.db2.gz YPXAHTYGBGWDMG-OAHLLOKOSA-N 1 2 374.868 3.537 50 0 FHAALO Cc1ccc(-n2c(SCc3[nH+]ccn3C)nc3ccccc3c2=O)cc1 ZINC000057995754 221096562 /nfs/dbraw/zinc/09/65/62/221096562.db2.gz LBNKQDVQMKNTAO-UHFFFAOYSA-N 1 2 362.458 3.720 50 0 FHAALO COc1cc(-c2nc(C[N@H+](C)[C@H](C)c3ccncn3)c(C)o2)ccc1F ZINC000059855047 221127663 /nfs/dbraw/zinc/12/76/63/221127663.db2.gz MISZQUXHEZZVBD-GFCCVEGCSA-N 1 2 356.401 3.781 50 0 FHAALO COc1cc(-c2nc(C[N@@H+](C)[C@H](C)c3ccncn3)c(C)o2)ccc1F ZINC000059855047 221127666 /nfs/dbraw/zinc/12/76/66/221127666.db2.gz MISZQUXHEZZVBD-GFCCVEGCSA-N 1 2 356.401 3.781 50 0 FHAALO C[C@@H]1Cc2ccccc2N1C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000058229889 221110794 /nfs/dbraw/zinc/11/07/94/221110794.db2.gz HBRJXDZJNUMUQS-MRXNPFEDSA-N 1 2 374.444 3.503 50 0 FHAALO CCCCN(C)C(=O)c1cc2c(n1C)CC[N@H+](Cc1cccc(F)c1)C2 ZINC000065211093 221180596 /nfs/dbraw/zinc/18/05/96/221180596.db2.gz CRSBHQMDIXKZQC-UHFFFAOYSA-N 1 2 357.473 3.595 50 0 FHAALO CCCCN(C)C(=O)c1cc2c(n1C)CC[N@@H+](Cc1cccc(F)c1)C2 ZINC000065211093 221180598 /nfs/dbraw/zinc/18/05/98/221180598.db2.gz CRSBHQMDIXKZQC-UHFFFAOYSA-N 1 2 357.473 3.595 50 0 FHAALO C[N@H+](Cc1nnc2sc(/C=C/c3ccccc3)nn12)Cc1ccccc1 ZINC000065363043 221201853 /nfs/dbraw/zinc/20/18/53/221201853.db2.gz DVGRKYKFPFRXHQ-OUKQBFOZSA-N 1 2 361.474 3.988 50 0 FHAALO C[N@@H+](Cc1nnc2sc(/C=C/c3ccccc3)nn12)Cc1ccccc1 ZINC000065363043 221201855 /nfs/dbraw/zinc/20/18/55/221201855.db2.gz DVGRKYKFPFRXHQ-OUKQBFOZSA-N 1 2 361.474 3.988 50 0 FHAALO CCCCOc1ccc([C@H]2CC(=O)NCc3[nH+]c4ccc(C)cn4c32)cc1 ZINC000065371610 221204713 /nfs/dbraw/zinc/20/47/13/221204713.db2.gz SVADIGUVOAUSOX-GOSISDBHSA-N 1 2 363.461 3.973 50 0 FHAALO O=c1c(C[N@@H+]2CCC[C@@H]2c2nc(-c3ccccn3)no2)coc2ccccc21 ZINC000065387651 221210134 /nfs/dbraw/zinc/21/01/34/221210134.db2.gz APYLRWQTBUZSLT-QGZVFWFLSA-N 1 2 374.400 3.575 50 0 FHAALO O=c1c(C[N@H+]2CCC[C@@H]2c2nc(-c3ccccn3)no2)coc2ccccc21 ZINC000065387651 221210136 /nfs/dbraw/zinc/21/01/36/221210136.db2.gz APYLRWQTBUZSLT-QGZVFWFLSA-N 1 2 374.400 3.575 50 0 FHAALO Cc1nc(C[N@@H+](C)Cc2cccc(C(=O)Nc3cccnc3)c2)cs1 ZINC000065405682 221213163 /nfs/dbraw/zinc/21/31/63/221213163.db2.gz BUTDVIFVZPAVGO-UHFFFAOYSA-N 1 2 352.463 3.731 50 0 FHAALO Cc1nc(C[N@H+](C)Cc2cccc(C(=O)Nc3cccnc3)c2)cs1 ZINC000065405682 221213168 /nfs/dbraw/zinc/21/31/68/221213168.db2.gz BUTDVIFVZPAVGO-UHFFFAOYSA-N 1 2 352.463 3.731 50 0 FHAALO COC(=O)Cn1c[nH+]c(-c2ccccc2)c1C[C@H](C)CCCC(C)(C)O ZINC000065423304 221218203 /nfs/dbraw/zinc/21/82/03/221218203.db2.gz IOIOYSXXVGSGIO-MRXNPFEDSA-N 1 2 358.482 3.843 50 0 FHAALO CCn1c[nH+]cc1[C@H]1CC(=O)Nc2c1c(C)nn2Cc1ccccc1Cl ZINC000065462366 221223228 /nfs/dbraw/zinc/22/32/28/221223228.db2.gz WFGWFZWWIKZNLR-CQSZACIVSA-N 1 2 369.856 3.584 50 0 FHAALO c1cc([C@H]2CCCCO2)oc1C[NH+]1CCN(c2nc3ccccc3o2)CC1 ZINC000065532389 221231834 /nfs/dbraw/zinc/23/18/34/221231834.db2.gz MJKALDLTYYFTCC-LJQANCHMSA-N 1 2 367.449 3.985 50 0 FHAALO Cc1ccsc1-c1nc(C[N@H+]2CCc3nnc(C(C)C)n3CC2)c(C)o1 ZINC000067458477 221256330 /nfs/dbraw/zinc/25/63/30/221256330.db2.gz IHFPLONJMDXSOO-UHFFFAOYSA-N 1 2 371.510 3.793 50 0 FHAALO Cc1ccsc1-c1nc(C[N@@H+]2CCc3nnc(C(C)C)n3CC2)c(C)o1 ZINC000067458477 221256332 /nfs/dbraw/zinc/25/63/32/221256332.db2.gz IHFPLONJMDXSOO-UHFFFAOYSA-N 1 2 371.510 3.793 50 0 FHAALO Fc1ccc(-c2n[nH]cc2[C@@H]2c3[nH]c[nH+]c3CCN2Cc2ccco2)cc1 ZINC000067604525 221262269 /nfs/dbraw/zinc/26/22/69/221262269.db2.gz OTHUZPSEAKCAOJ-HXUWFJFHSA-N 1 2 363.396 3.680 50 0 FHAALO Cc1ccsc1CN(C)C(=O)c1cc(C[N@H+](C)Cc2ccccc2)on1 ZINC000067676143 221269272 /nfs/dbraw/zinc/26/92/72/221269272.db2.gz HRTFAQJIMAWWLB-UHFFFAOYSA-N 1 2 369.490 3.949 50 0 FHAALO Cc1ccsc1CN(C)C(=O)c1cc(C[N@@H+](C)Cc2ccccc2)on1 ZINC000067676143 221269275 /nfs/dbraw/zinc/26/92/75/221269275.db2.gz HRTFAQJIMAWWLB-UHFFFAOYSA-N 1 2 369.490 3.949 50 0 FHAALO O=C(CCCn1cc[nH+]c1)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000067856182 221296591 /nfs/dbraw/zinc/29/65/91/221296591.db2.gz BJVMMSPCAXRIGS-INIZCTEOSA-N 1 2 368.264 3.570 50 0 FHAALO Cc1oc(-c2ccsc2)nc1C[N@@H+]1CCCN(C(=O)c2ccco2)CC1 ZINC000067871700 221297960 /nfs/dbraw/zinc/29/79/60/221297960.db2.gz OKRLMDCQWVGENZ-UHFFFAOYSA-N 1 2 371.462 3.653 50 0 FHAALO Cc1oc(-c2ccsc2)nc1C[N@H+]1CCCN(C(=O)c2ccco2)CC1 ZINC000067871700 221297963 /nfs/dbraw/zinc/29/79/63/221297963.db2.gz OKRLMDCQWVGENZ-UHFFFAOYSA-N 1 2 371.462 3.653 50 0 FHAALO CCN(Cc1[nH+]ccn1C)C(=O)c1ccc(-c2cc3ccccc3o2)nc1 ZINC000067871938 221298243 /nfs/dbraw/zinc/29/82/43/221298243.db2.gz CBMHHKUAHXFOQM-UHFFFAOYSA-N 1 2 360.417 3.891 50 0 FHAALO CCN(Cc1ccccc1)C(=O)c1cc(C[N@H+](C)Cc2ccccc2)on1 ZINC000067983077 221312490 /nfs/dbraw/zinc/31/24/90/221312490.db2.gz VVMTYPADGWWCOI-UHFFFAOYSA-N 1 2 363.461 3.969 50 0 FHAALO CCN(Cc1ccccc1)C(=O)c1cc(C[N@@H+](C)Cc2ccccc2)on1 ZINC000067983077 221312493 /nfs/dbraw/zinc/31/24/93/221312493.db2.gz VVMTYPADGWWCOI-UHFFFAOYSA-N 1 2 363.461 3.969 50 0 FHAALO CC(C)[C@H]1C[N@H+](Cc2nccs2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071388614 221345336 /nfs/dbraw/zinc/34/53/36/221345336.db2.gz PTVDCFVPZOFEDX-QGZVFWFLSA-N 1 2 361.486 3.541 50 0 FHAALO CC(C)[C@H]1C[N@@H+](Cc2nccs2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071388614 221345339 /nfs/dbraw/zinc/34/53/39/221345339.db2.gz PTVDCFVPZOFEDX-QGZVFWFLSA-N 1 2 361.486 3.541 50 0 FHAALO CCn1cc[nH+]c1CN1CCO[C@@H](c2ccc3cc(OC)ccc3c2)C1 ZINC000071551737 221351954 /nfs/dbraw/zinc/35/19/54/221351954.db2.gz WZZWBFSMWBBVCD-HXUWFJFHSA-N 1 2 351.450 3.638 50 0 FHAALO COc1nc2ccccc2cc1[C@H]1c2[nH]c[nH+]c2CCN1Cc1ccoc1 ZINC000071750413 221362716 /nfs/dbraw/zinc/36/27/16/221362716.db2.gz UEPVTIKXIZNTLA-FQEVSTJZSA-N 1 2 360.417 3.707 50 0 FHAALO C[C@@H](Cc1ccc2c(c1)OCO2)c1[nH+]ccn1-c1ccc2nccnc2c1 ZINC000071767959 221372575 /nfs/dbraw/zinc/37/25/75/221372575.db2.gz LSZAIMIZECOXPV-AWEZNQCLSA-N 1 2 358.401 3.890 50 0 FHAALO Cc1noc2nc(C)nc(N3CCC(c4[nH+]c5ccccc5n4C)CC3)c12 ZINC000077503850 132187610 /nfs/dbraw/zinc/18/76/10/132187610.db2.gz VURBAGRDKXKEMM-UHFFFAOYSA-N 1 2 362.437 3.505 50 0 FHAALO Cc1ccc(OC[C@H]2CCCN(c3ccc(Cn4cc[nH+]c4)cn3)C2)cc1 ZINC000077555691 132189389 /nfs/dbraw/zinc/18/93/89/132189389.db2.gz NDIQBOMKTDMZHD-FQEVSTJZSA-N 1 2 362.477 3.930 50 0 FHAALO Cc1oc(-c2cccs2)nc1C[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000097550204 132229712 /nfs/dbraw/zinc/22/97/12/132229712.db2.gz XQIHJSCLAKAWQO-UHFFFAOYSA-N 1 2 355.463 3.739 50 0 FHAALO Fc1ccc(N2CC[NH+](Cc3ccc(Br)s3)CC2)cc1 ZINC000055543435 136126919 /nfs/dbraw/zinc/12/69/19/136126919.db2.gz WBMCFBUZTGOFDD-UHFFFAOYSA-N 1 2 355.276 3.972 50 0 FHAALO CC(C)(C)CC(=O)NC[C@@H](c1ccco1)[NH+]1CCN(c2ccccc2)CC1 ZINC000056945308 136127940 /nfs/dbraw/zinc/12/79/40/136127940.db2.gz OACCKUMPPNFVMO-IBGZPJMESA-N 1 2 369.509 3.695 50 0 FHAALO O=C(C[NH+]1CCN(c2ccc(Cl)cc2)CC1)Nc1cccc(Cl)c1 ZINC000058219040 136131188 /nfs/dbraw/zinc/13/11/88/136131188.db2.gz XVXUIPKBXDEJBM-UHFFFAOYSA-N 1 2 364.276 3.754 50 0 FHAALO O=C(NCc1cc2ccccc2[nH]1)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000058296908 136131460 /nfs/dbraw/zinc/13/14/60/136131460.db2.gz JNPGHOYJHVXXIT-UHFFFAOYSA-N 1 2 363.465 3.553 50 0 FHAALO Cc1c2cc(C)cc(C)c2[nH]c1C(=O)N1CCC[C@@H](Cn2cc[nH+]c2)C1 ZINC000091663023 221780122 /nfs/dbraw/zinc/78/01/22/221780122.db2.gz SYQZWOJMHPSMKW-KRWDZBQOSA-N 1 2 350.466 3.842 50 0 FHAALO O=C(NCCCCCc1[nH]c2ccccc2[nH+]1)c1n[nH]c2c1CCCCC2 ZINC000096223372 222085164 /nfs/dbraw/zinc/08/51/64/222085164.db2.gz HXOPMKWSAFYMQN-UHFFFAOYSA-N 1 2 365.481 3.698 50 0 FHAALO Cc1ccc(/C=C\C(=O)NC[C@H](c2cccs2)[NH+]2CCOCC2)c(C)c1 ZINC000096405015 222119862 /nfs/dbraw/zinc/11/98/62/222119862.db2.gz ZWTRVIRJMNAPSG-QULHZPMSSA-N 1 2 370.518 3.568 50 0 FHAALO O=C(/C=C\c1ccco1)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000096924640 222139790 /nfs/dbraw/zinc/13/97/90/222139790.db2.gz CLSJOJREMQDDQH-FPLPWBNLSA-N 1 2 364.367 3.656 50 0 FHAALO CC(=O)Nc1ccc(/C=C\C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000096973319 222146306 /nfs/dbraw/zinc/14/63/06/222146306.db2.gz UUKCPQOHCIAAFT-FJCDDACJSA-N 1 2 374.444 3.721 50 0 FHAALO CCc1ccc(C[N@H+](C)Cc2c(Cl)n(C)nc2-c2cc(C)on2)nc1 ZINC000097099221 222159087 /nfs/dbraw/zinc/15/90/87/222159087.db2.gz GRBJJLDXHRMXQP-UHFFFAOYSA-N 1 2 359.861 3.626 50 0 FHAALO CCc1ccc(C[N@@H+](C)Cc2c(Cl)n(C)nc2-c2cc(C)on2)nc1 ZINC000097099221 222159088 /nfs/dbraw/zinc/15/90/88/222159088.db2.gz GRBJJLDXHRMXQP-UHFFFAOYSA-N 1 2 359.861 3.626 50 0 FHAALO CCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2[nH]c(-c3ccccc3)nc2C)C1 ZINC000097602585 222196950 /nfs/dbraw/zinc/19/69/50/222196950.db2.gz QZZSPJHFUXSZFG-QGZVFWFLSA-N 1 2 363.465 3.621 50 0 FHAALO Cc1cc(-c2nn(C)c(Cl)c2C[N@@H+]2CCC[C@@H]2c2nccs2)no1 ZINC000097632113 222200535 /nfs/dbraw/zinc/20/05/35/222200535.db2.gz ZCBGNIXOGFMEPE-CYBMUJFWSA-N 1 2 363.874 3.831 50 0 FHAALO Cc1cc(-c2nn(C)c(Cl)c2C[N@H+]2CCC[C@@H]2c2nccs2)no1 ZINC000097632113 222200538 /nfs/dbraw/zinc/20/05/38/222200538.db2.gz ZCBGNIXOGFMEPE-CYBMUJFWSA-N 1 2 363.874 3.831 50 0 FHAALO CCn1cc[nH+]c1C1CCN(C(=O)c2oc3cc(OC)ccc3c2C)CC1 ZINC000097681815 222206124 /nfs/dbraw/zinc/20/61/24/222206124.db2.gz JLCPKISYASIKME-UHFFFAOYSA-N 1 2 367.449 3.986 50 0 FHAALO C[NH+](C)c1ccc(N[C@H]2CC(=O)N(c3cccc4ccccc43)C2=O)cc1 ZINC000101129391 222264031 /nfs/dbraw/zinc/26/40/31/222264031.db2.gz PDFLSMSXRBHWCE-IBGZPJMESA-N 1 2 359.429 3.650 50 0 FHAALO C[C@H](C(=O)Nc1c(F)cccc1F)[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000009114564 263359074 /nfs/dbraw/zinc/35/90/74/263359074.db2.gz URIBBAPDZDXSFF-CQSZACIVSA-N 1 2 370.403 3.610 50 0 FHAALO C[C@H](C(=O)Nc1c(F)cccc1F)[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000009114564 263359077 /nfs/dbraw/zinc/35/90/77/263359077.db2.gz URIBBAPDZDXSFF-CQSZACIVSA-N 1 2 370.403 3.610 50 0 FHAALO Cn1cc[nH+]c1[C@@H](NC(=O)CCc1ccsc1)c1ccc(Cl)cc1 ZINC000012507247 263370525 /nfs/dbraw/zinc/37/05/25/263370525.db2.gz KNKMXJRTNBPURM-KRWDZBQOSA-N 1 2 359.882 3.973 50 0 FHAALO Cc1ccc(/C=C/C(=O)NC[C@@H](c2cccs2)[NH+]2CCOCC2)c(C)c1 ZINC000025458436 263388845 /nfs/dbraw/zinc/38/88/45/263388845.db2.gz ZWTRVIRJMNAPSG-UCFODXPJSA-N 1 2 370.518 3.568 50 0 FHAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000027415253 263389866 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/nfs/dbraw/zinc/20/63/97/571206397.db2.gz RDOKVTIGZUVVKM-FQEVSTJZSA-N 1 2 373.456 3.536 50 0 FHAALO COc1cc2c(cc1-c1[nH+]ccn1Cc1noc(-c3ccco3)n1)CCC2 ZINC000077321075 571207586 /nfs/dbraw/zinc/20/75/86/571207586.db2.gz XNRNVPWRISVGQR-UHFFFAOYSA-N 1 2 362.389 3.739 50 0 FHAALO O=C(NCC1(c2ccc(Cl)cc2)CC1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000534660530 571207660 /nfs/dbraw/zinc/20/76/60/571207660.db2.gz GHUBBLXJZWXQQL-AWEZNQCLSA-N 1 2 358.873 3.684 50 0 FHAALO Cc1c(F)cccc1-c1ccc(C(=O)NCC(C)(C)[NH+]2CCOCC2)cc1 ZINC000534669038 571208477 /nfs/dbraw/zinc/20/84/77/571208477.db2.gz OYSNZMGCWIYTMO-UHFFFAOYSA-N 1 2 370.468 3.642 50 0 FHAALO COc1cc[nH+]cc1NC(=O)c1occc1CN1c2ccccc2C[C@H]1C ZINC000078483049 571212002 /nfs/dbraw/zinc/21/20/02/571212002.db2.gz XSFKOUSGBPERQL-CQSZACIVSA-N 1 2 363.417 3.887 50 0 FHAALO Cc1ccc([C@H](CNC(=O)c2cccc3ccccc32)[NH+]2CCOCC2)cc1 ZINC000023105842 571215800 /nfs/dbraw/zinc/21/58/00/571215800.db2.gz NCWNBHQZPGABEY-QHCPKHFHSA-N 1 2 374.484 3.952 50 0 FHAALO Cc1nc([C@@H](C)NC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cs1 ZINC000426493095 571228203 /nfs/dbraw/zinc/22/82/03/571228203.db2.gz WJWTVDGCVOFJHD-YXMGTMDOSA-N 1 2 370.522 3.553 50 0 FHAALO CC(=O)c1ccc(NC(=O)N2CCC(c3[nH+]ccn3CC3CC3)CC2)cc1 ZINC000082136707 571229033 /nfs/dbraw/zinc/22/90/33/571229033.db2.gz VNHUHTZKAADQSS-UHFFFAOYSA-N 1 2 366.465 3.907 50 0 FHAALO CN(C[C@H]1CCN(c2ccccc2)C1)C(=O)c1cccc(-c2[nH+]ccn2C)c1 ZINC000426550705 571231677 /nfs/dbraw/zinc/23/16/77/571231677.db2.gz YKAXJTLCPCQSMN-GOSISDBHSA-N 1 2 374.488 3.686 50 0 FHAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)NC3(C)CCCC3)csc2C1 ZINC000426684358 571235041 /nfs/dbraw/zinc/23/50/41/571235041.db2.gz DLQTZMAYTPTWOE-UHFFFAOYSA-N 1 2 373.522 3.974 50 0 FHAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)NC3(C)CCCC3)csc2C1 ZINC000426684358 571235043 /nfs/dbraw/zinc/23/50/43/571235043.db2.gz DLQTZMAYTPTWOE-UHFFFAOYSA-N 1 2 373.522 3.974 50 0 FHAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N4CCCCC4)csc3C2)nc1 ZINC000426700119 571235583 /nfs/dbraw/zinc/23/55/83/571235583.db2.gz WYDUAZJPISUUJJ-UHFFFAOYSA-N 1 2 369.534 3.890 50 0 FHAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N4CCCCC4)csc3C2)nc1 ZINC000426700119 571235585 /nfs/dbraw/zinc/23/55/85/571235585.db2.gz WYDUAZJPISUUJJ-UHFFFAOYSA-N 1 2 369.534 3.890 50 0 FHAALO Fc1cc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(Cc2cccnc2)C3)ccc1Cl ZINC000091475107 571240075 /nfs/dbraw/zinc/24/00/75/571240075.db2.gz LQCDLSMPRJHIBH-ZWKOTPCHSA-N 1 2 359.876 3.971 50 0 FHAALO Fc1cc(C[N@H+]2C[C@H]3CC[C@@H]2CN(Cc2cccnc2)C3)ccc1Cl ZINC000091475107 571240076 /nfs/dbraw/zinc/24/00/76/571240076.db2.gz LQCDLSMPRJHIBH-ZWKOTPCHSA-N 1 2 359.876 3.971 50 0 FHAALO C[C@@H](NS(=O)(=O)c1cccc(Cl)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000007050200 571258371 /nfs/dbraw/zinc/25/83/71/571258371.db2.gz NLSOMYDTHYHKGA-CYBMUJFWSA-N 1 2 361.854 3.565 50 0 FHAALO Cc1cc(N)nc(S[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)[nH+]1 ZINC000007177432 571262711 /nfs/dbraw/zinc/26/27/11/571262711.db2.gz MUUACEBJYADOQU-SECBINFHSA-N 1 2 356.373 3.505 50 0 FHAALO O=C(Nc1ccc2c(c1)[nH+]c1n2CCCCC1)[C@H]1CC(=O)Nc2ccccc21 ZINC000037133208 571265557 /nfs/dbraw/zinc/26/55/57/571265557.db2.gz JDHJXZIJEBJERL-INIZCTEOSA-N 1 2 374.444 3.827 50 0 FHAALO CCCC[N@@H+]1Cc2ccc(NS(=O)(=O)c3ccc(C)s3)cc2C1 ZINC000170609151 571267455 /nfs/dbraw/zinc/26/74/55/571267455.db2.gz BWCHFWVQDGDOSJ-UHFFFAOYSA-N 1 2 350.509 3.973 50 0 FHAALO CCCC[N@H+]1Cc2ccc(NS(=O)(=O)c3ccc(C)s3)cc2C1 ZINC000170609151 571267457 /nfs/dbraw/zinc/26/74/57/571267457.db2.gz BWCHFWVQDGDOSJ-UHFFFAOYSA-N 1 2 350.509 3.973 50 0 FHAALO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H](C)Oc1ccccc1Cl ZINC000170613659 571267994 /nfs/dbraw/zinc/26/79/94/571267994.db2.gz NEFZGRHRYYVICG-HNNXBMFYSA-N 1 2 363.889 3.805 50 0 FHAALO O=c1c2cccc3c2c(nn1Cc1[nH]c2ccccc2[nH+]1)-c1ccccc1-3 ZINC000170625938 571269291 /nfs/dbraw/zinc/26/92/91/571269291.db2.gz YQQZAUURJIQJEA-UHFFFAOYSA-N 1 2 350.381 3.969 50 0 FHAALO Cc1cc(-c2cccc(F)c2)nnc1NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000076061527 571273919 /nfs/dbraw/zinc/27/39/19/571273919.db2.gz ZWASLSWRVNUPPK-UHFFFAOYSA-N 1 2 360.396 3.784 50 0 FHAALO O=C(C[N@H+]1CC[C@@H]1c1ccc(Cl)cc1)NCCCOCc1ccccc1 ZINC000076093266 571274364 /nfs/dbraw/zinc/27/43/64/571274364.db2.gz SPKBTPZXQSGTTD-HXUWFJFHSA-N 1 2 372.896 3.810 50 0 FHAALO O=C(C[N@@H+]1CC[C@@H]1c1ccc(Cl)cc1)NCCCOCc1ccccc1 ZINC000076093266 571274365 /nfs/dbraw/zinc/27/43/65/571274365.db2.gz SPKBTPZXQSGTTD-HXUWFJFHSA-N 1 2 372.896 3.810 50 0 FHAALO COc1ccccc1NC(=O)[C@@H](C)[N@H+](C)Cc1nc2ccccc2s1 ZINC000007689877 571285840 /nfs/dbraw/zinc/28/58/40/571285840.db2.gz CBTQEXGDIWFFPC-CYBMUJFWSA-N 1 2 355.463 3.764 50 0 FHAALO COc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)Cc1nc2ccccc2s1 ZINC000007689877 571285841 /nfs/dbraw/zinc/28/58/41/571285841.db2.gz CBTQEXGDIWFFPC-CYBMUJFWSA-N 1 2 355.463 3.764 50 0 FHAALO C[C@@H]1c2ccsc2CC[N@H+]1CC(=O)NCCc1c[nH]c2ccccc12 ZINC000007879113 571290444 /nfs/dbraw/zinc/29/04/44/571290444.db2.gz VCKXISJARKRPLR-CQSZACIVSA-N 1 2 353.491 3.507 50 0 FHAALO C[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)NCCc1c[nH]c2ccccc12 ZINC000007879113 571290445 /nfs/dbraw/zinc/29/04/45/571290445.db2.gz VCKXISJARKRPLR-CQSZACIVSA-N 1 2 353.491 3.507 50 0 FHAALO Cc1ccc(NC(=O)C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)cc1C ZINC000007927188 571294545 /nfs/dbraw/zinc/29/45/45/571294545.db2.gz TULKLHTZJHMLAY-GOSISDBHSA-N 1 2 358.507 3.985 50 0 FHAALO Cc1ccc(NC(=O)C[N@H+](Cc2cccs2)C[C@H]2CCCO2)cc1C ZINC000007927188 571294546 /nfs/dbraw/zinc/29/45/46/571294546.db2.gz TULKLHTZJHMLAY-GOSISDBHSA-N 1 2 358.507 3.985 50 0 FHAALO CCc1c(C)nc(C)nc1-c1cccc(C(=O)NC[C@@H](C)n2cc[nH+]c2)c1 ZINC000584896467 571315494 /nfs/dbraw/zinc/31/54/94/571315494.db2.gz YREGHBOOTHMRQL-CQSZACIVSA-N 1 2 363.465 3.510 50 0 FHAALO Cc1nnc(C[N@@H+](C)[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)o1 ZINC000585087300 571320252 /nfs/dbraw/zinc/32/02/52/571320252.db2.gz ODEMSRDJRQVRHD-CQSZACIVSA-N 1 2 350.422 3.823 50 0 FHAALO Cc1nnc(C[N@H+](C)[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)o1 ZINC000585087300 571320253 /nfs/dbraw/zinc/32/02/53/571320253.db2.gz ODEMSRDJRQVRHD-CQSZACIVSA-N 1 2 350.422 3.823 50 0 FHAALO COC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)c1C ZINC000095393302 571329228 /nfs/dbraw/zinc/32/92/28/571329228.db2.gz SCRNLTMHRXLEJQ-UHFFFAOYSA-N 1 2 372.812 3.510 50 0 FHAALO FC(F)[C@H](CCc1ccccc1)[NH2+]Cc1ccc(Cn2cncn2)cc1 ZINC000095466820 571330508 /nfs/dbraw/zinc/33/05/08/571330508.db2.gz JZHGOZBSBKIMHY-IBGZPJMESA-N 1 2 356.420 3.683 50 0 FHAALO CCc1cccc(NC(=S)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000003027519 571343717 /nfs/dbraw/zinc/34/37/17/571343717.db2.gz LRJWEJICESHEQY-UHFFFAOYSA-N 1 2 355.507 3.890 50 0 FHAALO COc1ccc(NC(=S)N2CC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC000003029069 571343753 /nfs/dbraw/zinc/34/37/53/571343753.db2.gz MWYSGSPJSNOODI-UHFFFAOYSA-N 1 2 361.898 3.821 50 0 FHAALO COc1ccc(NC(=S)N2CC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000003029069 571343754 /nfs/dbraw/zinc/34/37/54/571343754.db2.gz MWYSGSPJSNOODI-UHFFFAOYSA-N 1 2 361.898 3.821 50 0 FHAALO CCC[N@H+](CC1CC1)Cn1c2cc(S(=O)(=O)CC)ccc2oc1=S ZINC000003254759 571346196 /nfs/dbraw/zinc/34/61/96/571346196.db2.gz DHCKIBYHQKFRTA-UHFFFAOYSA-N 1 2 368.524 3.837 50 0 FHAALO CCC[N@@H+](CC1CC1)Cn1c2cc(S(=O)(=O)CC)ccc2oc1=S ZINC000003254759 571346197 /nfs/dbraw/zinc/34/61/97/571346197.db2.gz DHCKIBYHQKFRTA-UHFFFAOYSA-N 1 2 368.524 3.837 50 0 FHAALO C[C@H](c1cc(-c2ccccc2)n[nH]1)N(C)C(=O)NCc1c[nH+]cn1C1CC1 ZINC000670461388 571356834 /nfs/dbraw/zinc/35/68/34/571356834.db2.gz XTGSEXWUUMFHFU-CQSZACIVSA-N 1 2 364.453 3.511 50 0 FHAALO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C(C)(C)c2cccc(Cl)c2)C1 ZINC000120280637 944970791 /nfs/dbraw/zinc/97/07/91/944970791.db2.gz RWYHFIDPJUNCDP-OAHLLOKOSA-N 1 2 359.901 3.832 50 0 FHAALO O=C(CSc1[nH+]cnc2c1cnn2-c1ccccc1)c1ccc(F)cc1 ZINC000000904724 219339229 /nfs/dbraw/zinc/33/92/29/219339229.db2.gz SMTZAOLJWAPFCC-UHFFFAOYSA-N 1 2 364.405 3.930 50 0 FHAALO Cc1cc2[nH+]cn([C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3=O)c2cc1C ZINC000001080481 219366661 /nfs/dbraw/zinc/36/66/61/219366661.db2.gz JUOVFVXZFDNQCY-QGZVFWFLSA-N 1 2 353.809 3.811 50 0 FHAALO Cn1c2ccccc2[nH+]c1N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000001370871 219399670 /nfs/dbraw/zinc/39/96/70/219399670.db2.gz JBIFCXAUVPDERK-UHFFFAOYSA-N 1 2 369.856 3.581 50 0 FHAALO O=C(Nc1ccc(OC(F)F)cc1)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC000299760926 223085471 /nfs/dbraw/zinc/08/54/71/223085471.db2.gz SGPDIIZYZLCKLW-UHFFFAOYSA-N 1 2 363.364 3.758 50 0 FHAALO Cn1cc[nH+]c1[C@@H](NC(=O)CCc1ccc(-c2cccs2)o1)C1CC1 ZINC000299788459 223097437 /nfs/dbraw/zinc/09/74/37/223097437.db2.gz SRFYHJZFCCQBFZ-SFHVURJKSA-N 1 2 355.463 3.942 50 0 FHAALO COc1cccc([C@@H](NC(=O)Cc2ccc(Cl)cc2)c2[nH+]ccn2C)c1 ZINC000009466604 219880853 /nfs/dbraw/zinc/88/08/53/219880853.db2.gz BLIVKWTUNRXWDE-LJQANCHMSA-N 1 2 369.852 3.530 50 0 FHAALO COCCn1c[nH+]cc1CNC(=O)Nc1ccc(C2CCCCC2)cc1 ZINC000299784753 223096102 /nfs/dbraw/zinc/09/61/02/223096102.db2.gz MSZJKIZXQQDVIY-UHFFFAOYSA-N 1 2 356.470 3.899 50 0 FHAALO Cc1ccc2oc(C(=O)N[C@@H](Cc3[nH]cc[nH+]3)c3ccccc3)cc(=O)c2c1 ZINC000012531154 220003180 /nfs/dbraw/zinc/00/31/80/220003180.db2.gz ZDMHIGZDAPIBJZ-KRWDZBQOSA-N 1 2 373.412 3.538 50 0 FHAALO Cc1cc(OCC(=O)N[C@@H](Cc2[nH]cc[nH+]2)c2ccccc2)ccc1Cl ZINC000012538757 220005309 /nfs/dbraw/zinc/00/53/09/220005309.db2.gz MRKFLVRFULXRHU-SFHVURJKSA-N 1 2 369.852 3.851 50 0 FHAALO Cc1ccc(O[C@@H](C)C(=O)N[C@H](c2[nH+]ccn2C)c2ccc(F)cc2)cc1 ZINC000012576816 220009041 /nfs/dbraw/zinc/00/90/41/220009041.db2.gz DEUAOYKCBQEOOZ-KXBFYZLASA-N 1 2 367.424 3.541 50 0 FHAALO Fc1ccc([C@@H]2CCC[N@@H+]2Cc2nc(-c3ccc4c(c3)OCO4)no2)cc1 ZINC000012576587 220009360 /nfs/dbraw/zinc/00/93/60/220009360.db2.gz VFVZMFAQAOYVSN-INIZCTEOSA-N 1 2 367.380 3.942 50 0 FHAALO Fc1ccc([C@@H]2CCC[N@H+]2Cc2nc(-c3ccc4c(c3)OCO4)no2)cc1 ZINC000012576587 220009362 /nfs/dbraw/zinc/00/93/62/220009362.db2.gz VFVZMFAQAOYVSN-INIZCTEOSA-N 1 2 367.380 3.942 50 0 FHAALO CC(=O)c1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)s1 ZINC000012594754 220010407 /nfs/dbraw/zinc/01/04/07/220010407.db2.gz WMKHHXWSTGCLKZ-MRXNPFEDSA-N 1 2 374.481 3.826 50 0 FHAALO CC(=O)c1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)s1 ZINC000012594754 220010410 /nfs/dbraw/zinc/01/04/10/220010410.db2.gz WMKHHXWSTGCLKZ-MRXNPFEDSA-N 1 2 374.481 3.826 50 0 FHAALO O=C(Nc1ccc2c(c1)[nH+]c1n2CCCCC1)[C@H]1COc2ccccc2O1 ZINC000012603021 220012297 /nfs/dbraw/zinc/01/22/97/220012297.db2.gz BIWKOHNBUCXSPH-LJQANCHMSA-N 1 2 363.417 3.541 50 0 FHAALO COc1ccccc1[C@H](NC(=O)Cc1ccccc1Cl)c1[nH+]ccn1C ZINC000012602028 220012650 /nfs/dbraw/zinc/01/26/50/220012650.db2.gz NZZARKORMWIJJI-IBGZPJMESA-N 1 2 369.852 3.530 50 0 FHAALO Fc1ccc(-n2ncc3c2nc[nH+]c3NCCOc2ccccc2F)cc1 ZINC000012759680 220025651 /nfs/dbraw/zinc/02/56/51/220025651.db2.gz QZLPKDQMEFEZOI-UHFFFAOYSA-N 1 2 367.359 3.585 50 0 FHAALO Cc1nc(C)c(C(=O)NCc2ccc[nH+]c2N(C)C2CCCCC2)s1 ZINC000012756881 220025916 /nfs/dbraw/zinc/02/59/16/220025916.db2.gz YPVMJUUJGWVLCP-UHFFFAOYSA-N 1 2 358.511 3.854 50 0 FHAALO O=C(C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1)Nc1cc(F)cc(F)c1 ZINC000012869435 220038008 /nfs/dbraw/zinc/03/80/08/220038008.db2.gz PUTSMWZRIBEUOL-INIZCTEOSA-N 1 2 366.433 3.646 50 0 FHAALO O=C(C[N@H+](Cc1cccs1)C[C@@H]1CCCO1)Nc1cc(F)cc(F)c1 ZINC000012869435 220038010 /nfs/dbraw/zinc/03/80/10/220038010.db2.gz PUTSMWZRIBEUOL-INIZCTEOSA-N 1 2 366.433 3.646 50 0 FHAALO O=C(Nc1cccc(Cl)c1Cl)N1CC[NH+](Cc2cccnc2)CC1 ZINC000013324353 220064184 /nfs/dbraw/zinc/06/41/84/220064184.db2.gz XKNHRNKHSWDCOR-UHFFFAOYSA-N 1 2 365.264 3.738 50 0 FHAALO Cc1cc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCC[C@@H](C(F)(F)F)C2)no1 ZINC000014083104 220105201 /nfs/dbraw/zinc/10/52/01/220105201.db2.gz VCVQOUHTBKKBJT-GDBMZVCRSA-N 1 2 367.371 3.937 50 0 FHAALO Cc1cc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CCC[C@@H](C(F)(F)F)C2)no1 ZINC000014083104 220105203 /nfs/dbraw/zinc/10/52/03/220105203.db2.gz VCVQOUHTBKKBJT-GDBMZVCRSA-N 1 2 367.371 3.937 50 0 FHAALO COc1ccc([C@H]2CCC[N@@H+]2Cc2nc3cc(Cl)ccc3c(=O)[nH]2)cc1 ZINC000014093699 220105633 /nfs/dbraw/zinc/10/56/33/220105633.db2.gz DOOHWLOWSNVUSE-GOSISDBHSA-N 1 2 369.852 3.922 50 0 FHAALO COc1ccc([C@H]2CCC[N@H+]2Cc2nc3cc(Cl)ccc3c(=O)[nH]2)cc1 ZINC000014093699 220105637 /nfs/dbraw/zinc/10/56/37/220105637.db2.gz DOOHWLOWSNVUSE-GOSISDBHSA-N 1 2 369.852 3.922 50 0 FHAALO COc1ccc([C@H]2CCC[N@@H+]2Cn2nc3ccccn3c2=S)c(OC)c1 ZINC000014182891 220113626 /nfs/dbraw/zinc/11/36/26/220113626.db2.gz OUINHPNXTKMFME-MRXNPFEDSA-N 1 2 370.478 3.677 50 0 FHAALO COc1ccc([C@H]2CCC[N@H+]2Cn2nc3ccccn3c2=S)c(OC)c1 ZINC000014182891 220113627 /nfs/dbraw/zinc/11/36/27/220113627.db2.gz OUINHPNXTKMFME-MRXNPFEDSA-N 1 2 370.478 3.677 50 0 FHAALO O=C(/C=C/c1ccc(Cl)cc1)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000014181528 220113729 /nfs/dbraw/zinc/11/37/29/220113729.db2.gz HUAWICFZLFYNOQ-ZBWUASRJSA-N 1 2 370.880 3.543 50 0 FHAALO CCC[C@H](C)[NH+]1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1 ZINC000015679410 220161059 /nfs/dbraw/zinc/16/10/59/220161059.db2.gz ZZBXUVKNHPERJI-AWEZNQCLSA-N 1 2 360.889 3.677 50 0 FHAALO CCCc1cc([C@H]2CCC[N@@H+]2Cc2cc(OC)c(OC)cc2OC)no1 ZINC000015866904 220169501 /nfs/dbraw/zinc/16/95/01/220169501.db2.gz AMOQNVMOMRRREU-QGZVFWFLSA-N 1 2 360.454 3.990 50 0 FHAALO CCCc1cc([C@H]2CCC[N@H+]2Cc2cc(OC)c(OC)cc2OC)no1 ZINC000015866904 220169506 /nfs/dbraw/zinc/16/95/06/220169506.db2.gz AMOQNVMOMRRREU-QGZVFWFLSA-N 1 2 360.454 3.990 50 0 FHAALO CC(=O)Nc1sc(C)c(C)c1C(=O)OCc1cn2cc(C)ccc2[nH+]1 ZINC000016209793 220180000 /nfs/dbraw/zinc/18/00/00/220180000.db2.gz RKJUAYDCJDTNGT-UHFFFAOYSA-N 1 2 357.435 3.636 50 0 FHAALO Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000018087039 220224085 /nfs/dbraw/zinc/22/40/85/220224085.db2.gz QUJBLZHONMTAGT-SFHVURJKSA-N 1 2 352.478 3.627 50 0 FHAALO CCCC12CN3CC(CCC)(C[NH+](C1)C3c1c[nH]c3ccccc31)C2=O ZINC000019323930 220249896 /nfs/dbraw/zinc/24/98/96/220249896.db2.gz WXNYAONBEMMDRV-UHFFFAOYSA-N 1 2 351.494 3.953 50 0 FHAALO COc1ccc(C[NH+]2CCN(Cc3ccc(SC)cc3)CC2)c(OC)c1 ZINC000019360125 220253489 /nfs/dbraw/zinc/25/34/89/220253489.db2.gz XTBXBZWORVITLO-UHFFFAOYSA-N 1 2 372.534 3.744 50 0 FHAALO O=C(c1ccc(-c2ccccc2)cc1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000019374114 220256224 /nfs/dbraw/zinc/25/62/24/220256224.db2.gz SGEPCUZDGOBRCK-UHFFFAOYSA-N 1 2 357.457 3.707 50 0 FHAALO Cc1cc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)on1 ZINC000019894447 220303265 /nfs/dbraw/zinc/30/32/65/220303265.db2.gz FTACCLZLUYNBOJ-UHFFFAOYSA-N 1 2 361.445 3.530 50 0 FHAALO CCOCCCNC(=S)Nc1ccc2[nH+]c(N3CCCC3)cc(C)c2c1 ZINC000020183129 220318030 /nfs/dbraw/zinc/31/80/30/220318030.db2.gz ZZMPTCXHHHRUIW-UHFFFAOYSA-N 1 2 372.538 3.856 50 0 FHAALO CN1CC[NH+](Cc2ccc(C(=O)c3cc(Cl)cc(Cl)c3)cc2)CC1 ZINC000022027953 220374482 /nfs/dbraw/zinc/37/44/82/220374482.db2.gz MZSJTZAGIVVAOO-UHFFFAOYSA-N 1 2 363.288 3.972 50 0 FHAALO CC(=O)Nc1sc(C)c(C)c1[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000022130812 220377599 /nfs/dbraw/zinc/37/75/99/220377599.db2.gz NSMDTMJTOLUHPO-MRXNPFEDSA-N 1 2 350.509 3.806 50 0 FHAALO O=C(Cc1c[nH]c2ccccc12)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000022289165 220382397 /nfs/dbraw/zinc/38/23/97/220382397.db2.gz WOQWWSNEUNALDM-UHFFFAOYSA-N 1 2 354.479 3.792 50 0 FHAALO Cc1ccc(C(=O)N[C@@H](Nc2cccc[nH+]2)C(Cl)(Cl)Cl)cc1 ZINC000022608973 220391399 /nfs/dbraw/zinc/39/13/99/220391399.db2.gz PLGBNSMPCMPSLD-CQSZACIVSA-N 1 2 358.656 3.928 50 0 FHAALO Cc1nc2n(n1)C(=O)C([C@@H](c1cccc(C)c1)[NH+]1CCC(C)CC1)S2 ZINC000022626156 220393234 /nfs/dbraw/zinc/39/32/34/220393234.db2.gz PDQJCQUZSMXFMU-MRXNPFEDSA-N 1 2 356.495 3.935 50 0 FHAALO C[C@@H](C(=O)c1c[nH]c2ccccc12)N1CC[NH+](Cc2cccs2)CC1 ZINC000022792595 220397984 /nfs/dbraw/zinc/39/79/84/220397984.db2.gz HPNVTDUKRNRVSG-HNNXBMFYSA-N 1 2 353.491 3.618 50 0 FHAALO c1csc(C[N@H+](Cc2csc(-c3ncccn3)n2)C[C@@H]2CCCO2)c1 ZINC000048344838 221009448 /nfs/dbraw/zinc/00/94/48/221009448.db2.gz KZBWSZNAFISEPI-HNNXBMFYSA-N 1 2 372.519 3.843 50 0 FHAALO c1csc(C[N@@H+](Cc2csc(-c3ncccn3)n2)C[C@@H]2CCCO2)c1 ZINC000048344838 221009451 /nfs/dbraw/zinc/00/94/51/221009451.db2.gz KZBWSZNAFISEPI-HNNXBMFYSA-N 1 2 372.519 3.843 50 0 FHAALO C[C@H](SCc1ccccc1)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000048230917 221002288 /nfs/dbraw/zinc/00/22/88/221002288.db2.gz OFNKNRVWKWTPKN-INIZCTEOSA-N 1 2 355.507 3.620 50 0 FHAALO CCc1ccc(C[N@H+](C)Cc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)cc1 ZINC000048274805 221004455 /nfs/dbraw/zinc/00/44/55/221004455.db2.gz DEFIIIQDOPNIDY-UHFFFAOYSA-N 1 2 373.460 3.716 50 0 FHAALO CCc1ccc(C[N@@H+](C)Cc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)cc1 ZINC000048274805 221004457 /nfs/dbraw/zinc/00/44/57/221004457.db2.gz DEFIIIQDOPNIDY-UHFFFAOYSA-N 1 2 373.460 3.716 50 0 FHAALO C[N@H+](Cc1csc(-c2ncccn2)n1)Cc1ccccc1N1CCCC1 ZINC000051120802 221033801 /nfs/dbraw/zinc/03/38/01/221033801.db2.gz FGIQSYJQTVVESN-UHFFFAOYSA-N 1 2 365.506 3.832 50 0 FHAALO C[N@@H+](Cc1csc(-c2ncccn2)n1)Cc1ccccc1N1CCCC1 ZINC000051120802 221033803 /nfs/dbraw/zinc/03/38/03/221033803.db2.gz FGIQSYJQTVVESN-UHFFFAOYSA-N 1 2 365.506 3.832 50 0 FHAALO O[C@@H](C[NH+]1CCN(Cc2ccc(Cl)s2)CC1)c1ccc(F)cc1F ZINC000051261897 221035176 /nfs/dbraw/zinc/03/51/76/221035176.db2.gz VNCNDDCERHDSKX-INIZCTEOSA-N 1 2 372.868 3.531 50 0 FHAALO O[C@@H](CN1CC[NH+](Cc2ccc(Cl)s2)CC1)c1ccc(F)cc1F ZINC000051261897 221035179 /nfs/dbraw/zinc/03/51/79/221035179.db2.gz VNCNDDCERHDSKX-INIZCTEOSA-N 1 2 372.868 3.531 50 0 FHAALO FC(F)(F)c1cccc(-c2noc(C[N@@H+]3CCO[C@H]4CCCC[C@@H]43)n2)c1 ZINC000051994238 221036919 /nfs/dbraw/zinc/03/69/19/221036919.db2.gz HJGPLAFDKLXFQW-GJZGRUSLSA-N 1 2 367.371 3.899 50 0 FHAALO FC(F)(F)c1cccc(-c2noc(C[N@H+]3CCO[C@H]4CCCC[C@@H]43)n2)c1 ZINC000051994238 221036921 /nfs/dbraw/zinc/03/69/21/221036921.db2.gz HJGPLAFDKLXFQW-GJZGRUSLSA-N 1 2 367.371 3.899 50 0 FHAALO O=c1[nH]c(C[NH+]2CCC(c3ccc(O)cc3)CC2)nc2ccc(Cl)cc12 ZINC000055103182 221059217 /nfs/dbraw/zinc/05/92/17/221059217.db2.gz FMYZKWQBSKPGEZ-UHFFFAOYSA-N 1 2 369.852 3.662 50 0 FHAALO Cc1ccc2[nH+]c(NC[C@@H](c3cccnc3)N3CCOCC3)cc(C)c2c1 ZINC000055307867 221066109 /nfs/dbraw/zinc/06/61/09/221066109.db2.gz LQDKDVWNZYVTMY-NRFANRHFSA-N 1 2 362.477 3.732 50 0 FHAALO COc1ccccc1[C@H](NC(=O)c1cc(C)c(C)s1)c1[nH+]ccn1C ZINC000053342276 221044250 /nfs/dbraw/zinc/04/42/50/221044250.db2.gz WGWATXCFVKNUOM-KRWDZBQOSA-N 1 2 355.463 3.626 50 0 FHAALO CC(C)(C)c1cnc(C[NH+]2CCC(NC(=O)NC3CCCCC3)CC2)o1 ZINC000055029362 221057534 /nfs/dbraw/zinc/05/75/34/221057534.db2.gz LKSXVWBGHQBGRQ-UHFFFAOYSA-N 1 2 362.518 3.568 50 0 FHAALO c1ccc(C[NH+](Cc2nnnn2-c2ccccc2)Cc2ccccc2)cc1 ZINC000057292069 221085784 /nfs/dbraw/zinc/08/57/84/221085784.db2.gz OCCFLFFAOQSRJA-UHFFFAOYSA-N 1 2 355.445 3.865 50 0 FHAALO CCCc1[nH+]c2ccccc2n1[C@H](C)C(=O)N(C)CCc1ccccn1 ZINC000055359177 221067240 /nfs/dbraw/zinc/06/72/40/221067240.db2.gz AFZWOTYEECISTQ-MRXNPFEDSA-N 1 2 350.466 3.646 50 0 FHAALO c1ccc2nc(-c3nn4c(C[NH+]5CCCCCC5)nnc4s3)ccc2c1 ZINC000057524692 221091218 /nfs/dbraw/zinc/09/12/18/221091218.db2.gz IZIPURUXYIRXEG-UHFFFAOYSA-N 1 2 364.478 3.777 50 0 FHAALO COc1ccc(CC(=O)Nc2ccc3[nH+]c(N(C)C)ccc3c2)cc1F ZINC000058003114 221096367 /nfs/dbraw/zinc/09/63/67/221096367.db2.gz QODFLLATOLEDRC-UHFFFAOYSA-N 1 2 353.397 3.630 50 0 FHAALO c1coc(CN2CC[NH+](Cc3ccc(OCc4ccncc4)cc3)CC2)c1 ZINC000058065257 221098512 /nfs/dbraw/zinc/09/85/12/221098512.db2.gz VTVGRIFZWPVZRR-UHFFFAOYSA-N 1 2 363.461 3.571 50 0 FHAALO c1coc(C[NH+]2CCN(Cc3ccc(OCc4ccncc4)cc3)CC2)c1 ZINC000058065257 221098515 /nfs/dbraw/zinc/09/85/15/221098515.db2.gz VTVGRIFZWPVZRR-UHFFFAOYSA-N 1 2 363.461 3.571 50 0 FHAALO CCCNc1cc(N2CCC(CCC(=O)Nc3ccccc3)CC2)nc[nH+]1 ZINC000065274100 221193363 /nfs/dbraw/zinc/19/33/63/221193363.db2.gz LELIKCMONNRTCR-UHFFFAOYSA-N 1 2 367.497 3.934 50 0 FHAALO CCCNc1cc(N2CCC(CCC(=O)Nc3ccccc3)CC2)[nH+]cn1 ZINC000065274100 221193367 /nfs/dbraw/zinc/19/33/67/221193367.db2.gz LELIKCMONNRTCR-UHFFFAOYSA-N 1 2 367.497 3.934 50 0 FHAALO Cc1cnc(NC(=O)c2cccc(C[N@@H+](C)[C@H](C)c3ccon3)c2)s1 ZINC000065371367 221204031 /nfs/dbraw/zinc/20/40/31/221204031.db2.gz FLOZYNQILNLQOJ-CYBMUJFWSA-N 1 2 356.451 3.885 50 0 FHAALO Cc1cnc(NC(=O)c2cccc(C[N@H+](C)[C@H](C)c3ccon3)c2)s1 ZINC000065371367 221204033 /nfs/dbraw/zinc/20/40/33/221204033.db2.gz FLOZYNQILNLQOJ-CYBMUJFWSA-N 1 2 356.451 3.885 50 0 FHAALO C[N@H+](Cc1nc(-c2cccnc2)no1)Cc1ccc2cccc(Cl)c2n1 ZINC000065399085 221212462 /nfs/dbraw/zinc/21/24/62/221212462.db2.gz OYTGURMESBVXDL-UHFFFAOYSA-N 1 2 365.824 3.965 50 0 FHAALO C[N@@H+](Cc1nc(-c2cccnc2)no1)Cc1ccc2cccc(Cl)c2n1 ZINC000065399085 221212465 /nfs/dbraw/zinc/21/24/65/221212465.db2.gz OYTGURMESBVXDL-UHFFFAOYSA-N 1 2 365.824 3.965 50 0 FHAALO Cc1nc(-c2ccccc2)c(C(=O)NCC2(Cn3cc[nH+]c3)CC2)s1 ZINC000065462291 221223476 /nfs/dbraw/zinc/22/34/76/221223476.db2.gz DHRJADDMCFSOLE-UHFFFAOYSA-N 1 2 352.463 3.525 50 0 FHAALO Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000065489023 221223863 /nfs/dbraw/zinc/22/38/63/221223863.db2.gz VLPKLHLHIGEIRR-QGZVFWFLSA-N 1 2 351.450 3.917 50 0 FHAALO Cc1nnc([C@@H]2Cc3ccccc3C[N@@H+]2CCOc2ccc(F)cc2)o1 ZINC000065517651 221229527 /nfs/dbraw/zinc/22/95/27/221229527.db2.gz IVYYIUQHZGNZTO-IBGZPJMESA-N 1 2 353.397 3.696 50 0 FHAALO Cc1nnc([C@@H]2Cc3ccccc3C[N@H+]2CCOc2ccc(F)cc2)o1 ZINC000065517651 221229530 /nfs/dbraw/zinc/22/95/30/221229530.db2.gz IVYYIUQHZGNZTO-IBGZPJMESA-N 1 2 353.397 3.696 50 0 FHAALO Cc1ccc(OCc2nn3c(C[NH+]4CCCCCC4)nnc3s2)cc1C ZINC000067239880 221249842 /nfs/dbraw/zinc/24/98/42/221249842.db2.gz GDKZVODRGJVQHH-UHFFFAOYSA-N 1 2 371.510 3.758 50 0 FHAALO Cc1nc(-n2cccn2)cc(Nc2ccc(NC(=O)c3ccco3)cc2)[nH+]1 ZINC000067601759 221260419 /nfs/dbraw/zinc/26/04/19/221260419.db2.gz LFBOCYVVXBJOIH-UHFFFAOYSA-N 1 2 360.377 3.560 50 0 FHAALO Fc1ccc2nc(-c3cc4n(n3)CC[N@H+](C/C=C/c3ccco3)C4)[nH]c2c1 ZINC000067654214 221267035 /nfs/dbraw/zinc/26/70/35/221267035.db2.gz DKZDPLDDOIOGHH-HNQUOIGGSA-N 1 2 363.396 3.688 50 0 FHAALO Fc1ccc2nc(-c3cc4n(n3)CC[N@@H+](C/C=C/c3ccco3)C4)[nH]c2c1 ZINC000067654214 221267037 /nfs/dbraw/zinc/26/70/37/221267037.db2.gz DKZDPLDDOIOGHH-HNQUOIGGSA-N 1 2 363.396 3.688 50 0 FHAALO Fc1ccc(CN2CCc3[nH+]c[nH]c3[C@@H]2c2nc3ccccc3[nH]2)cc1F ZINC000067714164 221275606 /nfs/dbraw/zinc/27/56/06/221275606.db2.gz OQEWLEFAJHAIPB-LJQANCHMSA-N 1 2 365.387 3.712 50 0 FHAALO COc1cccc([C@H]2c3[nH]c[nH+]c3CCN2Cc2cc(C(C)(C)C)n[nH]2)c1 ZINC000067673016 221267486 /nfs/dbraw/zinc/26/74/86/221267486.db2.gz QHJFLDSIVYSFFE-FQEVSTJZSA-N 1 2 365.481 3.587 50 0 FHAALO Cn1cc([C@@H]2c3[nH]cnc3CC[N@H+]2Cc2ccccc2-c2ccccc2)cn1 ZINC000067672955 221268200 /nfs/dbraw/zinc/26/82/00/221268200.db2.gz GSNGTSOOPGAXNC-HSZRJFAPSA-N 1 2 369.472 3.958 50 0 FHAALO Cn1cc([C@@H]2c3[nH]cnc3CC[N@@H+]2Cc2ccccc2-c2ccccc2)cn1 ZINC000067672955 221268203 /nfs/dbraw/zinc/26/82/03/221268203.db2.gz GSNGTSOOPGAXNC-HSZRJFAPSA-N 1 2 369.472 3.958 50 0 FHAALO CC(C)n1c(CN2CCc3[nH+]c[nH]c3[C@H]2c2ccccn2)nc2ccccc21 ZINC000067739663 221279119 /nfs/dbraw/zinc/27/91/19/221279119.db2.gz QWGSGALBOWMPTO-JOCHJYFZSA-N 1 2 372.476 3.883 50 0 FHAALO CC[C@@H](NC(=O)c1cc(C[N@H+](C)Cc2ccccc2)on1)c1cccnc1 ZINC000067713701 221274907 /nfs/dbraw/zinc/27/49/07/221274907.db2.gz DZNGYBJAPLQAQF-LJQANCHMSA-N 1 2 364.449 3.583 50 0 FHAALO CC[C@@H](NC(=O)c1cc(C[N@@H+](C)Cc2ccccc2)on1)c1cccnc1 ZINC000067713701 221274910 /nfs/dbraw/zinc/27/49/10/221274910.db2.gz DZNGYBJAPLQAQF-LJQANCHMSA-N 1 2 364.449 3.583 50 0 FHAALO Cc1ccc(C)c(CNC(=O)c2cc(C[N@@H+](C)Cc3ccccc3)on2)c1 ZINC000067743256 221280368 /nfs/dbraw/zinc/28/03/68/221280368.db2.gz RIGRDXZVXLCZGT-UHFFFAOYSA-N 1 2 363.461 3.853 50 0 FHAALO Cc1ccc(C)c(CNC(=O)c2cc(C[N@H+](C)Cc3ccccc3)on2)c1 ZINC000067743256 221280371 /nfs/dbraw/zinc/28/03/71/221280371.db2.gz RIGRDXZVXLCZGT-UHFFFAOYSA-N 1 2 363.461 3.853 50 0 FHAALO CN(C(=O)c1cc(C[N@H+](C)Cc2ccccc2)on1)C(C1CC1)C1CC1 ZINC000067758203 221282286 /nfs/dbraw/zinc/28/22/86/221282286.db2.gz QKSUKRHJXAYXBD-UHFFFAOYSA-N 1 2 353.466 3.567 50 0 FHAALO CN(C(=O)c1cc(C[N@@H+](C)Cc2ccccc2)on1)C(C1CC1)C1CC1 ZINC000067758203 221282288 /nfs/dbraw/zinc/28/22/88/221282288.db2.gz QKSUKRHJXAYXBD-UHFFFAOYSA-N 1 2 353.466 3.567 50 0 FHAALO Cc1c(NCc2cccnc2)cccc1C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000067770779 221283138 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CC(C)Cc1ccc(C[N@H+]2CCN(c3ccc4n[nH]cc4c3)C(=O)C2)cc1 ZINC000082108544 132195407 /nfs/dbraw/zinc/19/54/07/132195407.db2.gz WCSGKEUXLAYNCD-UHFFFAOYSA-N 1 2 362.477 3.610 50 0 FHAALO O=C([O-])c1cccc(N2CCC[C@]3(CCC[N@H+](Cc4ccccc4)C3)C2)[nH+]1 ZINC000095365708 132208004 /nfs/dbraw/zinc/20/80/04/132208004.db2.gz IIWIGLBZHVMLAI-QFIPXVFZSA-N 1 2 365.477 3.662 50 0 FHAALO O=C([O-])c1cccc(N2CCC[C@]3(CCC[N@@H+](Cc4ccccc4)C3)C2)[nH+]1 ZINC000095365708 132208005 /nfs/dbraw/zinc/20/80/05/132208005.db2.gz IIWIGLBZHVMLAI-QFIPXVFZSA-N 1 2 365.477 3.662 50 0 FHAALO Cc1cc(N2CCO[C@H](c3nc(C(C)(C)C)cs3)C2)nc(C2CC2)[nH+]1 ZINC000116260543 132247517 /nfs/dbraw/zinc/24/75/17/132247517.db2.gz RIEGPYJZNHAKNU-AWEZNQCLSA-N 1 2 358.511 3.994 50 0 FHAALO Cc1ccc(N2CC[NH+]([C@H](C)C(=O)Nc3cccc(Cl)c3)CC2)cc1 ZINC000034682366 136117873 /nfs/dbraw/zinc/11/78/73/136117873.db2.gz FBNCWDFRWKDWPD-MRXNPFEDSA-N 1 2 357.885 3.798 50 0 FHAALO CC(=O)c1ccc(N2CC[NH+](Cc3cccc4cccnc43)CC2)c(F)c1 ZINC000054193018 136125220 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Fc1ccc(-c2nnc(C[NH+]3CCN(c4cccc(Cl)c4)CC3)o2)cc1 ZINC000058024178 136130404 /nfs/dbraw/zinc/13/04/04/136130404.db2.gz MLQJPHOIFFGTAX-UHFFFAOYSA-N 1 2 372.831 3.851 50 0 FHAALO Cc1cc(N2CCO[C@H](c3ccc(F)cc3)C2)nc(-c2ccncc2)[nH+]1 ZINC000068874870 136137951 /nfs/dbraw/zinc/13/79/51/136137951.db2.gz ZSOVQHXEJSWGPD-SFHVURJKSA-N 1 2 350.397 3.564 50 0 FHAALO COc1cccc(O[C@@H](C)C(=O)N2CCC(c3[nH+]ccn3C(C)C)CC2)c1 ZINC000095497618 221922268 /nfs/dbraw/zinc/92/22/68/221922268.db2.gz VIXLNQMXBGNFGS-INIZCTEOSA-N 1 2 371.481 3.646 50 0 FHAALO COC(=O)C[C@H](c1ccc(SC)cc1)c1c2[nH]s[nH+]c-2ccc1=O ZINC000096230831 222091538 /nfs/dbraw/zinc/09/15/38/222091538.db2.gz WYCMSYOJHGKZKQ-GFCCVEGCSA-N 1 2 360.460 3.814 50 0 FHAALO CC(C)n1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cnc3c(c2)CCCC3)C1 ZINC000097413221 222178862 /nfs/dbraw/zinc/17/88/62/222178862.db2.gz SWMORPWAFFVRJL-QGZVFWFLSA-N 1 2 352.482 3.758 50 0 FHAALO CC(C)n1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cccc(-c3cn[nH]c3)c2)C1 ZINC000097681818 222206399 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Cc1cccc(C[N@H+]2CCO[C@@H](Cc3cccc(C(F)(F)F)c3)C2)n1 ZINC000020204081 220318162 /nfs/dbraw/zinc/31/81/62/220318162.db2.gz QKZQYPSNFUVITG-SFHVURJKSA-N 1 2 350.384 3.852 50 0 FHAALO CCCCCn1c2ccccc2n(C[C@@H](O)COc2ccc(C)cc2)c1=[NH2+] ZINC000020327142 220322853 /nfs/dbraw/zinc/32/28/53/220322853.db2.gz MWKWBNGVIQYQER-GOSISDBHSA-N 1 2 367.493 3.861 50 0 FHAALO O=c1[nH]c(=S)n(-c2ccccc2Cl)c2c1C[N@H+](C1CCCC1)CN2 ZINC000020567584 220332843 /nfs/dbraw/zinc/33/28/43/220332843.db2.gz LXWMUKKTFYYSHN-UHFFFAOYSA-N 1 2 362.886 3.676 50 0 FHAALO O=c1[nH]c(=S)n(-c2ccccc2Cl)c2c1C[N@@H+](C1CCCC1)CN2 ZINC000020567584 220332846 /nfs/dbraw/zinc/33/28/46/220332846.db2.gz LXWMUKKTFYYSHN-UHFFFAOYSA-N 1 2 362.886 3.676 50 0 FHAALO O=C(N[C@H]1CCCc2ccccc21)[C@@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000021159094 220352830 /nfs/dbraw/zinc/35/28/30/220352830.db2.gz JZWGKLKZCYSDHJ-MJGOQNOKSA-N 1 2 374.488 3.973 50 0 FHAALO Cn1cc[nH+]c1[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)c1ccc(F)cc1 ZINC000022197026 220379086 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COc1cc(C[NH2+]Cc2csc(C(C)(C)C)n2)cc(OC)c1OC ZINC000053017540 221042334 /nfs/dbraw/zinc/04/23/34/221042334.db2.gz VNCHBQPATJTKBZ-UHFFFAOYSA-N 1 2 350.484 3.756 50 0 FHAALO Cn1cc[nH+]c1CN(C(=O)c1ccc(Br)cc1Cl)C1CC1 ZINC000054039448 221049860 /nfs/dbraw/zinc/04/98/60/221049860.db2.gz CPJLRTKGHQBRMG-UHFFFAOYSA-N 1 2 368.662 3.641 50 0 FHAALO O=c1c2ccccc2cnn1C[N@H+]1CCC[C@@H]1Cc1ccccc1Cl ZINC000057103448 221083832 /nfs/dbraw/zinc/08/38/32/221083832.db2.gz OAPXWJWAIQHQRF-QGZVFWFLSA-N 1 2 353.853 3.715 50 0 FHAALO O=c1c2ccccc2cnn1C[N@@H+]1CCC[C@@H]1Cc1ccccc1Cl ZINC000057103448 221083833 /nfs/dbraw/zinc/08/38/33/221083833.db2.gz OAPXWJWAIQHQRF-QGZVFWFLSA-N 1 2 353.853 3.715 50 0 FHAALO c1ccc(COc2ccc(-c3noc(C[NH+]4CCSCC4)n3)cc2)cc1 ZINC000057427781 221088363 /nfs/dbraw/zinc/08/83/63/221088363.db2.gz AEOOWVIWCWMYIA-UHFFFAOYSA-N 1 2 367.474 3.864 50 0 FHAALO O=C(NC1CC1)[C@@H]([NH2+]Cc1cccc(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000057611526 221091683 /nfs/dbraw/zinc/09/16/83/221091683.db2.gz FIEQZMVZPHFWPS-KRWDZBQOSA-N 1 2 366.358 3.954 50 0 FHAALO COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@H+]2CC=C(c3ccccc3)CC2)c1C ZINC000057672117 221091710 /nfs/dbraw/zinc/09/17/10/221091710.db2.gz ZBXJTLDPUYVWKN-MRXNPFEDSA-N 1 2 366.461 3.779 50 0 FHAALO COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@@H+]2CC=C(c3ccccc3)CC2)c1C ZINC000057672117 221091713 /nfs/dbraw/zinc/09/17/13/221091713.db2.gz ZBXJTLDPUYVWKN-MRXNPFEDSA-N 1 2 366.461 3.779 50 0 FHAALO c1coc([C@@H](CNCc2csc(-c3ncccn3)n2)[NH+]2CCCCC2)c1 ZINC000058108188 221098300 /nfs/dbraw/zinc/09/83/00/221098300.db2.gz IUFGNBLNWONTIL-MRXNPFEDSA-N 1 2 369.494 3.510 50 0 FHAALO O=C(c1ccnc(-n2cc[nH+]c2)c1)N(Cc1ccco1)Cc1ccccc1 ZINC000058072969 221098738 /nfs/dbraw/zinc/09/87/38/221098738.db2.gz FYXVUKITVHAMPL-UHFFFAOYSA-N 1 2 358.401 3.703 50 0 FHAALO Cc1ccc(F)c(NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)c1 ZINC000058226601 221110819 /nfs/dbraw/zinc/11/08/19/221110819.db2.gz ZYSOUKHEPITIQH-UHFFFAOYSA-N 1 2 366.396 3.612 50 0 FHAALO Cc1nnc([C@@H]2Cc3ccccc3CN2Cc2cn3cccc(C)c3[nH+]2)o1 ZINC000058428050 221119691 /nfs/dbraw/zinc/11/96/91/221119691.db2.gz OXCVMQITNOLELV-IBGZPJMESA-N 1 2 359.433 3.634 50 0 FHAALO O=C(NCCn1c2ccccc2[nH+]c1CCc1ccccc1)c1ccncc1 ZINC000064887969 221154833 /nfs/dbraw/zinc/15/48/33/221154833.db2.gz FZIQOQZZQXKYNT-UHFFFAOYSA-N 1 2 370.456 3.647 50 0 FHAALO CCCNc1cc(N2CCC[C@@H](CCC(=O)NC3CCCCC3)C2)nc[nH+]1 ZINC000065244873 221185845 /nfs/dbraw/zinc/18/58/45/221185845.db2.gz SNFPVXNTVYABFZ-KRWDZBQOSA-N 1 2 373.545 3.744 50 0 FHAALO CCCNc1cc(N2CCC[C@@H](CCC(=O)NC3CCCCC3)C2)[nH+]cn1 ZINC000065244873 221185848 /nfs/dbraw/zinc/18/58/48/221185848.db2.gz SNFPVXNTVYABFZ-KRWDZBQOSA-N 1 2 373.545 3.744 50 0 FHAALO C[NH+](C)[C@H](c1nc(C2CC2)nn1-c1ccccc1)c1ccc2c(c1)OCO2 ZINC000065376644 221206631 /nfs/dbraw/zinc/20/66/31/221206631.db2.gz FJHVJFSDZPGAMY-IBGZPJMESA-N 1 2 362.433 3.524 50 0 FHAALO CCCNc1cc(N2CCC[C@H](CCC(=O)N3CCC[C@H](C)C3)C2)nc[nH+]1 ZINC000065244864 221186121 /nfs/dbraw/zinc/18/61/21/221186121.db2.gz GPOZJPGPIXGRIB-ZWKOTPCHSA-N 1 2 373.545 3.554 50 0 FHAALO CCCNc1cc(N2CCC[C@H](CCC(=O)N3CCC[C@H](C)C3)C2)[nH+]cn1 ZINC000065244864 221186125 /nfs/dbraw/zinc/18/61/25/221186125.db2.gz GPOZJPGPIXGRIB-ZWKOTPCHSA-N 1 2 373.545 3.554 50 0 FHAALO C[N@H+](Cc1ccc(C(=O)Nc2ccc(F)cc2F)cc1)Cc1cnccn1 ZINC000065407568 221215245 /nfs/dbraw/zinc/21/52/45/221215245.db2.gz JRRLNRQCZCSCAV-UHFFFAOYSA-N 1 2 368.387 3.639 50 0 FHAALO C[N@@H+](Cc1ccc(C(=O)Nc2ccc(F)cc2F)cc1)Cc1cnccn1 ZINC000065407568 221215247 /nfs/dbraw/zinc/21/52/47/221215247.db2.gz JRRLNRQCZCSCAV-UHFFFAOYSA-N 1 2 368.387 3.639 50 0 FHAALO Cn1cc[nH+]c1[C@H]1CC(=O)Nc2c1c(-c1ccccc1)nn2-c1ccccc1 ZINC000065498069 221227432 /nfs/dbraw/zinc/22/74/32/221227432.db2.gz SYXBOHCARXMQFR-KRWDZBQOSA-N 1 2 369.428 3.747 50 0 FHAALO Cc1[nH+]c2ccccc2n1Cc1cc(C(=O)N(C)[C@H](C)c2ccco2)[nH]n1 ZINC000067641837 221265139 /nfs/dbraw/zinc/26/51/39/221265139.db2.gz CGUOVKXBCRAQFJ-CYBMUJFWSA-N 1 2 363.421 3.542 50 0 FHAALO Cc1n[nH]c(CN2CCc3[nH+]c[nH]c3[C@H]2c2c(F)cccc2F)c1Cl ZINC000067489811 221257387 /nfs/dbraw/zinc/25/73/87/221257387.db2.gz IDHKZKFDUDVRDZ-QGZVFWFLSA-N 1 2 363.799 3.521 50 0 FHAALO O=C(C[N@@H+]1CCc2onc(-c3ccc(-c4ccccc4)cc3)c2C1)NC1CC1 ZINC000067561465 221259415 /nfs/dbraw/zinc/25/94/15/221259415.db2.gz JJPFHCRMEFKJPL-UHFFFAOYSA-N 1 2 373.456 3.645 50 0 FHAALO O=C(C[N@H+]1CCc2onc(-c3ccc(-c4ccccc4)cc3)c2C1)NC1CC1 ZINC000067561465 221259419 /nfs/dbraw/zinc/25/94/19/221259419.db2.gz JJPFHCRMEFKJPL-UHFFFAOYSA-N 1 2 373.456 3.645 50 0 FHAALO CCc1nccc(CN2CCc3[nH+]c[nH]c3[C@H]2c2cc3ccccc3o2)n1 ZINC000067740261 221278620 /nfs/dbraw/zinc/27/86/20/221278620.db2.gz LUXFHUMARYCOIN-OAQYLSRUSA-N 1 2 359.433 3.656 50 0 FHAALO Oc1cccc([C@H]2c3[nH]c[nH+]c3CCN2Cc2ccc3cccc(O)c3n2)c1 ZINC000067821678 221291427 /nfs/dbraw/zinc/29/14/27/221291427.db2.gz QHRLXYIEZZJVFV-QFIPXVFZSA-N 1 2 372.428 3.517 50 0 FHAALO Cc1cccc(-n2cnnc2C[NH+]2CCN(c3cccc(C)c3C)CC2)c1 ZINC000067965305 221309235 /nfs/dbraw/zinc/30/92/35/221309235.db2.gz HTMIWUALWLYSDB-UHFFFAOYSA-N 1 2 361.493 3.515 50 0 FHAALO Cc1ccc(NC(=O)CNc2nccc(-c3ccc(C)[nH+]c3C)n2)c(F)c1 ZINC000071404040 221345430 /nfs/dbraw/zinc/34/54/30/221345430.db2.gz AMVIJJOGXAQVND-UHFFFAOYSA-N 1 2 365.412 3.654 50 0 FHAALO O=C1CC2(CN1Cc1ccc(Cl)cc1)CCN(c1cc[nH+]cc1F)CC2 ZINC000077386364 132183453 /nfs/dbraw/zinc/18/34/53/132183453.db2.gz TWUZEKNBGYUNOK-UHFFFAOYSA-N 1 2 373.859 3.893 50 0 FHAALO Clc1cnc(N2CC[NH+](CCOc3ccccc3)CC2)c(Cl)c1 ZINC000078478018 132190442 /nfs/dbraw/zinc/19/04/42/132190442.db2.gz YBTRSHKIUXPBQQ-UHFFFAOYSA-N 1 2 352.265 3.589 50 0 FHAALO C[C@H](O)c1cccc(N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)[nH+]1 ZINC000095372227 132208851 /nfs/dbraw/zinc/20/88/51/132208851.db2.gz DJYCZHTWPVIWHT-ZDUSSCGKSA-N 1 2 366.383 3.642 50 0 FHAALO CC(C)(C)n1cc(C[NH+]2CCN(c3ncc(Cl)cc3Cl)CC2)cn1 ZINC000095982482 132216372 /nfs/dbraw/zinc/21/63/72/132216372.db2.gz SQFJDWKQEQRORE-UHFFFAOYSA-N 1 2 368.312 3.662 50 0 FHAALO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccccc1 ZINC000096490416 132225144 /nfs/dbraw/zinc/22/51/44/132225144.db2.gz RXERZDIWSHLRFW-IAGOWNOFSA-N 1 2 371.912 3.728 50 0 FHAALO Cc1cc(C)cc(N2CCN(Cc3c[nH+]cn3C3CCCCC3)CC2=O)c1 ZINC000244774015 132290943 /nfs/dbraw/zinc/29/09/43/132290943.db2.gz PMOOIFPAENNZLV-UHFFFAOYSA-N 1 2 366.509 3.854 50 0 FHAALO COc1ccc2c(c1)CCCN2C(=O)C[N@@H+]1CCc2sccc2[C@@H]1C ZINC000011474073 132375114 /nfs/dbraw/zinc/37/51/14/132375114.db2.gz YJMOKIOUOOBFMV-AWEZNQCLSA-N 1 2 356.491 3.655 50 0 FHAALO COc1ccc2c(c1)CCCN2C(=O)C[N@H+]1CCc2sccc2[C@@H]1C ZINC000011474073 132375115 /nfs/dbraw/zinc/37/51/15/132375115.db2.gz YJMOKIOUOOBFMV-AWEZNQCLSA-N 1 2 356.491 3.655 50 0 FHAALO O=c1cc(C[NH+]2CCN(c3ccccc3F)CC2)c2cc(Cl)ccc2o1 ZINC000054307077 132376306 /nfs/dbraw/zinc/37/63/06/132376306.db2.gz JVKNTHYAGSZWTN-UHFFFAOYSA-N 1 2 372.827 3.908 50 0 FHAALO CCOc1ccccc1N1CC[NH+](Cc2ccc(Br)o2)CC1 ZINC000000755657 132378281 /nfs/dbraw/zinc/37/82/81/132378281.db2.gz RBMFDEOHNCUYCQ-UHFFFAOYSA-N 1 2 365.271 3.763 50 0 FHAALO Cc1ccc(NC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)cc1C ZINC000033280285 136117573 /nfs/dbraw/zinc/11/75/73/136117573.db2.gz DXKONBTYSYDZHM-UHFFFAOYSA-N 1 2 356.495 3.573 50 0 FHAALO Cc1c(Cl)cccc1N1CC[NH+](CC(=O)Nc2ccc(F)cc2)CC1 ZINC000054225109 136125262 /nfs/dbraw/zinc/12/52/62/136125262.db2.gz XUFLBATWQMFJFJ-UHFFFAOYSA-N 1 2 361.848 3.548 50 0 FHAALO C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)[NH+]1CCN(c2ccccc2)CC1 ZINC000055565700 136127217 /nfs/dbraw/zinc/12/72/17/136127217.db2.gz ANUWMQGGLZFXQZ-AWEZNQCLSA-N 1 2 361.848 3.628 50 0 FHAALO Clc1cccc(N2CC[NH+](Cc3nc(-c4cccs4)no3)CC2)c1 ZINC000057293288 136128406 /nfs/dbraw/zinc/12/84/06/136128406.db2.gz DMSQGRQVSSPMGX-UHFFFAOYSA-N 1 2 360.870 3.774 50 0 FHAALO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1cccnc1Oc1ccccc1 ZINC000069325896 136138062 /nfs/dbraw/zinc/13/80/62/136138062.db2.gz YMOKQYKUFUWSLK-UHFFFAOYSA-N 1 2 374.444 3.668 50 0 FHAALO C[C@@H](C(=O)N1CCC(c2[nH+]ccn2Cc2cccnc2)CC1)c1ccccc1 ZINC000091746622 221792312 /nfs/dbraw/zinc/79/23/12/221792312.db2.gz WXLPHBRSHDNSTO-GOSISDBHSA-N 1 2 374.488 3.836 50 0 FHAALO Cc1ncsc1CCOC(=O)[C@H]1CCn2c(c[nH+]c2-c2ccccc2)C1 ZINC000096013407 221991459 /nfs/dbraw/zinc/99/14/59/221991459.db2.gz XZDPQUHYYWDTOQ-INIZCTEOSA-N 1 2 367.474 3.663 50 0 FHAALO CCCCn1nc(-c2csc(C)n2)nc1[C@H]1Cc2ccccc2C[NH2+]1 ZINC000096153828 222056868 /nfs/dbraw/zinc/05/68/68/222056868.db2.gz LNIOPWHINMKSCU-MRXNPFEDSA-N 1 2 353.495 3.897 50 0 FHAALO COc1ccc(-c2nc3c([nH]2)C[N@H+](Cc2cc(CC(C)C)n[nH]2)CC3)cc1 ZINC000096165918 222066158 /nfs/dbraw/zinc/06/61/58/222066158.db2.gz GGBYVRGZLGJSKK-UHFFFAOYSA-N 1 2 365.481 3.565 50 0 FHAALO COc1ccc(-c2nc3c([nH]2)C[N@@H+](Cc2cc(CC(C)C)n[nH]2)CC3)cc1 ZINC000096165918 222066160 /nfs/dbraw/zinc/06/61/60/222066160.db2.gz GGBYVRGZLGJSKK-UHFFFAOYSA-N 1 2 365.481 3.565 50 0 FHAALO Cc1cnn(CC2CCN(C(=O)Nc3cccc(-c4c[nH]c[nH+]4)c3)CC2)c1 ZINC000097632063 222199816 /nfs/dbraw/zinc/19/98/16/222199816.db2.gz LEHFJAFNSPDVGL-UHFFFAOYSA-N 1 2 364.453 3.526 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Cc1cccc(NC(=O)N[C@@H](C)[C@H](c2cccs2)[NH+]2CCOCC2)c1 ZINC000023182637 571225608 /nfs/dbraw/zinc/22/56/08/571225608.db2.gz ZGNNSNHCOUGADA-MAUKXSAKSA-N 1 2 359.495 3.640 50 0 FHAALO CCn1cc(C[N@H+](C)Cc2cnc3c(-c4ccccc4)cnn3c2)c(C)n1 ZINC000426486502 571227796 /nfs/dbraw/zinc/22/77/96/571227796.db2.gz VPNJQQLKDSJGAZ-UHFFFAOYSA-N 1 2 360.465 3.553 50 0 FHAALO CCn1cc(C[N@@H+](C)Cc2cnc3c(-c4ccccc4)cnn3c2)c(C)n1 ZINC000426486502 571227798 /nfs/dbraw/zinc/22/77/98/571227798.db2.gz VPNJQQLKDSJGAZ-UHFFFAOYSA-N 1 2 360.465 3.553 50 0 FHAALO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc(-c3cccc(F)c3)nc2)C1 ZINC000082109052 571228665 /nfs/dbraw/zinc/22/86/65/571228665.db2.gz RKGQVRLGMXSYMX-KRWDZBQOSA-N 1 2 364.424 3.641 50 0 FHAALO Cc1ccsc1-c1ccc(C(=O)NC(C)(C)C[NH+]2CCOCC2)cc1 ZINC000426690015 571235307 /nfs/dbraw/zinc/23/53/07/571235307.db2.gz YJZJYRUFHSAWTA-UHFFFAOYSA-N 1 2 358.507 3.564 50 0 FHAALO CCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2oc3cc(OC)ccc3c2C)C1 ZINC000091695034 571242517 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Cc1nc2cc(F)ccc2cc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012795860 220031869 /nfs/dbraw/zinc/03/18/69/220031869.db2.gz REMFJQOWPVOEFN-UHFFFAOYSA-N 1 2 363.436 3.640 50 0 FHAALO CC(C)(C)c1[nH]c2ccc(NC(=O)c3ccc(S(C)(=O)=O)cc3)cc2[nH+]1 ZINC000012821995 220033642 /nfs/dbraw/zinc/03/36/42/220033642.db2.gz ZRTBOEXOXZHGHY-UHFFFAOYSA-N 1 2 371.462 3.516 50 0 FHAALO CC(=O)c1ccc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)s1 ZINC000013003970 220051741 /nfs/dbraw/zinc/05/17/41/220051741.db2.gz HHSOAUGPDKRYOC-AWEZNQCLSA-N 1 2 350.871 3.637 50 0 FHAALO COc1ccccc1NC(=S)N1CC[NH+](/C=C/c2ccccc2)CC1 ZINC000013576506 220076432 /nfs/dbraw/zinc/07/64/32/220076432.db2.gz DUMZCOMRXAGRQN-VAWYXSNFSA-N 1 2 353.491 3.681 50 0 FHAALO CC[N@@H+](Cc1ccc(Cl)s1)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O ZINC000014021161 220103367 /nfs/dbraw/zinc/10/33/67/220103367.db2.gz LEZJUKULFXSVBS-YVEFUNNKSA-N 1 2 369.918 3.682 50 0 FHAALO CC[N@H+](Cc1ccc(Cl)s1)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O ZINC000014021161 220103370 /nfs/dbraw/zinc/10/33/70/220103370.db2.gz LEZJUKULFXSVBS-YVEFUNNKSA-N 1 2 369.918 3.682 50 0 FHAALO COc1ccc([C@H]([NH2+]Cc2nnnn2-c2ccccc2)c2ccccc2)cc1 ZINC000014169625 220112057 /nfs/dbraw/zinc/11/20/57/220112057.db2.gz SKPCPIDOAQCDJK-JOCHJYFZSA-N 1 2 371.444 3.550 50 0 FHAALO COc1ccc([C@@H]2CCC[N@@H+]2Cn2nc3ccccn3c2=S)c(OC)c1 ZINC000014182890 220113653 /nfs/dbraw/zinc/11/36/53/220113653.db2.gz OUINHPNXTKMFME-INIZCTEOSA-N 1 2 370.478 3.677 50 0 FHAALO COc1ccc([C@@H]2CCC[N@H+]2Cn2nc3ccccn3c2=S)c(OC)c1 ZINC000014182890 220113656 /nfs/dbraw/zinc/11/36/56/220113656.db2.gz OUINHPNXTKMFME-INIZCTEOSA-N 1 2 370.478 3.677 50 0 FHAALO COc1ccc(-c2nc3nc(C)cc(Nc4ccc([NH+](C)C)cc4)n3n2)cc1 ZINC000014610415 220128044 /nfs/dbraw/zinc/12/80/44/220128044.db2.gz IGHDRSRIEGMYKM-UHFFFAOYSA-N 1 2 374.448 3.918 50 0 FHAALO Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000015041919 220143167 /nfs/dbraw/zinc/14/31/67/220143167.db2.gz OYLWMZWGFRVNCX-PHIMTYICSA-N 1 2 364.829 3.641 50 0 FHAALO 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FHAALO C[C@@H]1C[N@H+](Cc2cc(=O)oc3cc(-c4ccccc4)c(O)cc23)C[C@H](C)O1 ZINC000020412457 220325398 /nfs/dbraw/zinc/32/53/98/220325398.db2.gz ZNHYWLFQNNGBQY-GASCZTMLSA-N 1 2 365.429 3.775 50 0 FHAALO Cc1nc2sccn2c1C[N@H+]1CCC[C@H]1c1ccc(C(=O)N(C)C)s1 ZINC000020516002 220330529 /nfs/dbraw/zinc/33/05/29/220330529.db2.gz YXCQDUFTEAEQKJ-ZDUSSCGKSA-N 1 2 374.535 3.805 50 0 FHAALO Cc1nc2sccn2c1C[N@@H+]1CCC[C@H]1c1ccc(C(=O)N(C)C)s1 ZINC000020516002 220330530 /nfs/dbraw/zinc/33/05/30/220330530.db2.gz YXCQDUFTEAEQKJ-ZDUSSCGKSA-N 1 2 374.535 3.805 50 0 FHAALO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@@H+]1CCc2ccccc2C1 ZINC000020962523 220345577 /nfs/dbraw/zinc/34/55/77/220345577.db2.gz DAUJYIJQZFBKQU-UHFFFAOYSA-N 1 2 374.488 3.794 50 0 FHAALO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@H+]1CCc2ccccc2C1 ZINC000020962523 220345581 /nfs/dbraw/zinc/34/55/81/220345581.db2.gz DAUJYIJQZFBKQU-UHFFFAOYSA-N 1 2 374.488 3.794 50 0 FHAALO COc1cccc(C[N@@H+]2CCc3nc(Nc4ccc(F)cc4)ncc3C2)c1 ZINC000021038947 220349449 /nfs/dbraw/zinc/34/94/49/220349449.db2.gz YKACLZFFJIPZAN-UHFFFAOYSA-N 1 2 364.424 3.926 50 0 FHAALO COc1cccc(C[N@H+]2CCc3nc(Nc4ccc(F)cc4)ncc3C2)c1 ZINC000021038947 220349452 /nfs/dbraw/zinc/34/94/52/220349452.db2.gz YKACLZFFJIPZAN-UHFFFAOYSA-N 1 2 364.424 3.926 50 0 FHAALO COc1ccc(OC)c(-c2n[nH]cc2C[N@@H+]2CCC[C@@H]2c2cc(C)on2)c1 ZINC000021720031 220364775 /nfs/dbraw/zinc/36/47/75/220364775.db2.gz ZWICUUPKIMYHDU-GOSISDBHSA-N 1 2 368.437 3.727 50 0 FHAALO COc1ccc(OC)c(-c2n[nH]cc2C[N@H+]2CCC[C@@H]2c2cc(C)on2)c1 ZINC000021720031 220364777 /nfs/dbraw/zinc/36/47/77/220364777.db2.gz ZWICUUPKIMYHDU-GOSISDBHSA-N 1 2 368.437 3.727 50 0 FHAALO CSc1ccc(C[N@H+](C)CCS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000021324496 220356102 /nfs/dbraw/zinc/35/61/02/220356102.db2.gz DDOCGLLKOLCHSB-UHFFFAOYSA-N 1 2 369.939 3.968 50 0 FHAALO CSc1ccc(C[N@@H+](C)CCS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000021324496 220356105 /nfs/dbraw/zinc/35/61/05/220356105.db2.gz DDOCGLLKOLCHSB-UHFFFAOYSA-N 1 2 369.939 3.968 50 0 FHAALO Cc1nc2n(n1)C(=O)C([C@H](c1cccc(C)c1)[N@@H+]1CCC[C@H](C)C1)S2 ZINC000022626081 220392802 /nfs/dbraw/zinc/39/28/02/220392802.db2.gz OWEOZWPOVTUCPZ-BBRMVZONSA-N 1 2 356.495 3.935 50 0 FHAALO Cc1nc2n(n1)C(=O)C([C@H](c1cccc(C)c1)[N@H+]1CCC[C@H](C)C1)S2 ZINC000022626081 220392804 /nfs/dbraw/zinc/39/28/04/220392804.db2.gz OWEOZWPOVTUCPZ-BBRMVZONSA-N 1 2 356.495 3.935 50 0 FHAALO c1csc(CCNc2nc(NC[C@H]3CCCO3)c3ccccc3[nH+]2)c1 ZINC000041151936 220929577 /nfs/dbraw/zinc/92/95/77/220929577.db2.gz HNQQHJIHHOKKAS-CQSZACIVSA-N 1 2 354.479 3.937 50 0 FHAALO CN(C)c1ccc2cc(NC(=O)C3C[C@H]4CCC[C@@H](C3)C4=O)ccc2[nH+]1 ZINC000048341104 221009310 /nfs/dbraw/zinc/00/93/10/221009310.db2.gz GHMKEQLLXBHEEO-XYPWUTKMSA-N 1 2 351.450 3.635 50 0 FHAALO C[C@H](NC(=O)c1cccs1)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000050805961 221033721 /nfs/dbraw/zinc/03/37/21/221033721.db2.gz CAHCSJFDFLJPCS-ZDUSSCGKSA-N 1 2 367.430 3.692 50 0 FHAALO COc1c(C)c[nH+]c(CNC(=O)N2CCCCC[C@@H]2c2ccncc2)c1C ZINC000051755597 221037035 /nfs/dbraw/zinc/03/70/35/221037035.db2.gz QQHCVBIPMOLNAN-LJQANCHMSA-N 1 2 368.481 3.929 50 0 FHAALO COc1ccc(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)cc1F ZINC000048935311 221015960 /nfs/dbraw/zinc/01/59/60/221015960.db2.gz HWXLSUVZPNBWBN-UHFFFAOYSA-N 1 2 357.429 3.540 50 0 FHAALO CCCn1cnnc1C[NH2+]Cc1cnc(-c2ccc3ccccc3c2)nc1 ZINC000055035817 221057802 /nfs/dbraw/zinc/05/78/02/221057802.db2.gz DXXFUODFJATTDW-UHFFFAOYSA-N 1 2 358.449 3.588 50 0 FHAALO CCOc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000055074196 221059191 /nfs/dbraw/zinc/05/91/91/221059191.db2.gz ZNEIAMKOYHUZFX-RMKNXTFCSA-N 1 2 350.462 3.557 50 0 FHAALO Cc1ccc(NC(=O)C2CCCCC2)c(NC(=O)[C@H](C)n2cc[nH+]c2)c1 ZINC000055099957 221059277 /nfs/dbraw/zinc/05/92/77/221059277.db2.gz HZNCXIAVXQWCTO-HNNXBMFYSA-N 1 2 354.454 3.910 50 0 FHAALO CC[C@H](C)N(Cc1ccncc1)C(=O)CCn1c(C)[nH+]c2ccccc21 ZINC000055281822 221063896 /nfs/dbraw/zinc/06/38/96/221063896.db2.gz PFGGJMAYNAXWFT-INIZCTEOSA-N 1 2 350.466 3.957 50 0 FHAALO COc1ccc(C[N@H+](Cc2nccs2)Cc2ccccc2)cc1CO ZINC000055271301 221064846 /nfs/dbraw/zinc/06/48/46/221064846.db2.gz GMIIBPUYOCLWOR-UHFFFAOYSA-N 1 2 354.475 3.846 50 0 FHAALO COc1ccc(C[N@@H+](Cc2nccs2)Cc2ccccc2)cc1CO ZINC000055271301 221064848 /nfs/dbraw/zinc/06/48/48/221064848.db2.gz GMIIBPUYOCLWOR-UHFFFAOYSA-N 1 2 354.475 3.846 50 0 FHAALO CC(C)c1csc(CN(CCCn2cc[nH+]c2)Cc2cccnc2)n1 ZINC000055568639 221071301 /nfs/dbraw/zinc/07/13/01/221071301.db2.gz OPENOAFJRSXPRC-UHFFFAOYSA-N 1 2 355.511 3.951 50 0 FHAALO Cc1cc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCC[C@H](C(F)(F)F)C2)no1 ZINC000057380664 221087098 /nfs/dbraw/zinc/08/70/98/221087098.db2.gz VCVQOUHTBKKBJT-GOEBONIOSA-N 1 2 367.371 3.937 50 0 FHAALO Cc1cc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CCC[C@H](C(F)(F)F)C2)no1 ZINC000057380664 221087100 /nfs/dbraw/zinc/08/71/00/221087100.db2.gz VCVQOUHTBKKBJT-GOEBONIOSA-N 1 2 367.371 3.937 50 0 FHAALO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)c1cc2ccccc2cc1O ZINC000058159930 221100960 /nfs/dbraw/zinc/10/09/60/221100960.db2.gz DEIVTUCXQJFVDB-UHFFFAOYSA-N 1 2 351.793 3.777 50 0 FHAALO COc1ccc(C[N@H+](C)Cc2c(C)noc2C)c(Br)c1OC ZINC000058168669 221102043 /nfs/dbraw/zinc/10/20/43/221102043.db2.gz MIMGGNORHSFABJ-UHFFFAOYSA-N 1 2 369.259 3.703 50 0 FHAALO COc1ccc(C[N@@H+](C)Cc2c(C)noc2C)c(Br)c1OC ZINC000058168669 221102046 /nfs/dbraw/zinc/10/20/46/221102046.db2.gz MIMGGNORHSFABJ-UHFFFAOYSA-N 1 2 369.259 3.703 50 0 FHAALO Cc1ccc(NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)cc1F ZINC000058227351 221109946 /nfs/dbraw/zinc/10/99/46/221109946.db2.gz WOEPLRMCLWEBII-UHFFFAOYSA-N 1 2 366.396 3.612 50 0 FHAALO COc1ccc([C@@H](NC(=O)NCc2cn3ccc(C)cc3[nH+]2)C(C)C)cc1 ZINC000058218794 221109563 /nfs/dbraw/zinc/10/95/63/221109563.db2.gz AHRCVNYBGMYEMX-FQEVSTJZSA-N 1 2 366.465 3.848 50 0 FHAALO Clc1ccc(Cc2nn3c(C[NH+]4CCCCCC4)nnc3s2)cc1 ZINC000057524602 221090486 /nfs/dbraw/zinc/09/04/86/221090486.db2.gz CEISVUQLKLVXTC-UHFFFAOYSA-N 1 2 361.902 3.806 50 0 FHAALO COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(F)cc2F)c1C ZINC000057713711 221092868 /nfs/dbraw/zinc/09/28/68/221092868.db2.gz UOORAWRKVNFJMO-ZYHUDNBSSA-N 1 2 364.392 3.618 50 0 FHAALO C[C@@H](C(=O)Nc1cccc(Cl)c1)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000057844610 221095223 /nfs/dbraw/zinc/09/52/23/221095223.db2.gz XPQFOXYUOYXKRX-NSHDSACASA-N 1 2 374.794 3.558 50 0 FHAALO Cc1ccccc1Nc1nc(N)nc(C[N@@H+]2CCC[C@H]2c2cccs2)n1 ZINC000057903157 221095419 /nfs/dbraw/zinc/09/54/19/221095419.db2.gz RSWDBWVZMZILSH-HNNXBMFYSA-N 1 2 366.494 3.904 50 0 FHAALO Cc1ccccc1Nc1nc(N)nc(C[N@H+]2CCC[C@H]2c2cccs2)n1 ZINC000057903157 221095423 /nfs/dbraw/zinc/09/54/23/221095423.db2.gz RSWDBWVZMZILSH-HNNXBMFYSA-N 1 2 366.494 3.904 50 0 FHAALO Cc1[nH]c2ccccc2c1CC(=O)Nc1cccc(OCCn2cc[nH+]c2)c1 ZINC000058010127 221096200 /nfs/dbraw/zinc/09/62/00/221096200.db2.gz VVDFRCFFMHRKFV-UHFFFAOYSA-N 1 2 374.444 3.933 50 0 FHAALO Cn1c2ccccc2[nH+]c1Cn1cnc2c(Cl)cc(Cl)cc2c1=O ZINC000060336864 221128781 /nfs/dbraw/zinc/12/87/81/221128781.db2.gz RRHWFPVSAMVNRA-UHFFFAOYSA-N 1 2 359.216 3.638 50 0 FHAALO Cc1ccnc(NC(=O)C2CC[NH+](Cc3ncc(C(C)(C)C)o3)CC2)c1 ZINC000058379844 221116967 /nfs/dbraw/zinc/11/69/67/221116967.db2.gz INDHUBNRHWSFMY-UHFFFAOYSA-N 1 2 356.470 3.526 50 0 FHAALO O=C(NCc1cn2cc(Br)ccc2[nH+]1)c1cc2ccccc2o1 ZINC000058406737 221117538 /nfs/dbraw/zinc/11/75/38/221117538.db2.gz BQNIMPOVOXTIAS-UHFFFAOYSA-N 1 2 370.206 3.773 50 0 FHAALO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2cccc3cccnc32)c1C ZINC000058514398 221120403 /nfs/dbraw/zinc/12/04/03/221120403.db2.gz KFBPCPDTCVEEMD-UHFFFAOYSA-N 1 2 350.422 3.919 50 0 FHAALO CCC[N@H+](Cc1ccccc1)Cc1nc(N)nc(Nc2ccccc2C)n1 ZINC000058755638 221122869 /nfs/dbraw/zinc/12/28/69/221122869.db2.gz KYEUPYPKCBBNLP-UHFFFAOYSA-N 1 2 362.481 3.918 50 0 FHAALO CCC[N@@H+](Cc1ccccc1)Cc1nc(N)nc(Nc2ccccc2C)n1 ZINC000058755638 221122873 /nfs/dbraw/zinc/12/28/73/221122873.db2.gz KYEUPYPKCBBNLP-UHFFFAOYSA-N 1 2 362.481 3.918 50 0 FHAALO CCCNc1cc(N2CCC[C@@H](CCC(=O)N3CCC[C@H](C)C3)C2)nc[nH+]1 ZINC000065244865 221185767 /nfs/dbraw/zinc/18/57/67/221185767.db2.gz GPOZJPGPIXGRIB-ROUUACIJSA-N 1 2 373.545 3.554 50 0 FHAALO CCCNc1cc(N2CCC[C@@H](CCC(=O)N3CCC[C@H](C)C3)C2)[nH+]cn1 ZINC000065244865 221185769 /nfs/dbraw/zinc/18/57/69/221185769.db2.gz GPOZJPGPIXGRIB-ROUUACIJSA-N 1 2 373.545 3.554 50 0 FHAALO Cc1cccc(C(C)C)c1NC(=O)C[NH2+][C@@H](C)c1cn2ncsc2n1 ZINC000065371891 221204638 /nfs/dbraw/zinc/20/46/38/221204638.db2.gz IKYKKDCKUCXUDU-ZDUSSCGKSA-N 1 2 357.483 3.512 50 0 FHAALO Cc1cn(CCn2c[nH+]c(-c3ccccc3)c2[C@H]2CCOC(C)(C)C2)nn1 ZINC000065451980 221220884 /nfs/dbraw/zinc/22/08/84/221220884.db2.gz ASUUFTIIEUTEKN-SFHVURJKSA-N 1 2 365.481 3.823 50 0 FHAALO CCn1c[nH+]cc1[C@@H]1CC(=O)Nc2c1c(C)nn2Cc1ccccc1Cl ZINC000065462364 221222583 /nfs/dbraw/zinc/22/25/83/221222583.db2.gz WFGWFZWWIKZNLR-AWEZNQCLSA-N 1 2 369.856 3.584 50 0 FHAALO CN(Cc1[nH+]ccn1CC(F)(F)F)c1ncnc2cc(Cl)ccc21 ZINC000065567233 221233548 /nfs/dbraw/zinc/23/35/48/221233548.db2.gz JHSFPVQHLOJNRU-UHFFFAOYSA-N 1 2 355.751 3.678 50 0 FHAALO Cc1nnc([C@@H]2Cc3ccccc3C[N@@H+]2CCOc2cccc(F)c2)o1 ZINC000065608625 221234524 /nfs/dbraw/zinc/23/45/24/221234524.db2.gz PBEZLZWNZCRGKS-IBGZPJMESA-N 1 2 353.397 3.696 50 0 FHAALO Cc1nnc([C@@H]2Cc3ccccc3C[N@H+]2CCOc2cccc(F)c2)o1 ZINC000065608625 221234527 /nfs/dbraw/zinc/23/45/27/221234527.db2.gz PBEZLZWNZCRGKS-IBGZPJMESA-N 1 2 353.397 3.696 50 0 FHAALO COc1ccc(OC)c(CN2CCc3[nH+]c[nH]c3[C@H]2c2ccsc2)c1 ZINC000067642314 221265675 /nfs/dbraw/zinc/26/56/75/221265675.db2.gz ROUPEYKDJWKGOA-LJQANCHMSA-N 1 2 355.463 3.636 50 0 FHAALO Cc1cncc(NC(=O)c2cccc(C[N@@H+](C)[C@H](C)c3ccon3)c2)c1 ZINC000067650296 221265861 /nfs/dbraw/zinc/26/58/61/221265861.db2.gz KAVVYJZKMMYOJP-OAHLLOKOSA-N 1 2 350.422 3.823 50 0 FHAALO Cc1cncc(NC(=O)c2cccc(C[N@H+](C)[C@H](C)c3ccon3)c2)c1 ZINC000067650296 221265863 /nfs/dbraw/zinc/26/58/63/221265863.db2.gz KAVVYJZKMMYOJP-OAHLLOKOSA-N 1 2 350.422 3.823 50 0 FHAALO Cc1ccc2nc(C[NH2+]Cc3ccccc3CN3CCCC3=O)[nH]c2c1C ZINC000067650200 221267147 /nfs/dbraw/zinc/26/71/47/221267147.db2.gz CJKCHDJMPXXWDJ-UHFFFAOYSA-N 1 2 362.477 3.592 50 0 FHAALO Cc1cccc(-c2c[nH]nc2C2CCN(C(=O)[C@H](C)n3cc[nH+]c3)CC2)c1 ZINC000067654314 221266248 /nfs/dbraw/zinc/26/62/48/221266248.db2.gz TUXQKFJYHQOGDW-INIZCTEOSA-N 1 2 363.465 3.549 50 0 FHAALO Cc1cccc(-c2cn[nH]c2C2CCN(C(=O)[C@H](C)n3cc[nH+]c3)CC2)c1 ZINC000067654314 221266253 /nfs/dbraw/zinc/26/62/53/221266253.db2.gz TUXQKFJYHQOGDW-INIZCTEOSA-N 1 2 363.465 3.549 50 0 FHAALO Cc1ccc(-c2cc(O)c3c(c2)CN(c2cc[nH+]c(C)n2)CCO3)s1 ZINC000067723274 221276827 /nfs/dbraw/zinc/27/68/27/221276827.db2.gz HFEXLFIBPRNKEO-UHFFFAOYSA-N 1 2 353.447 3.927 50 0 FHAALO O=C(Nc1c[nH+]c2n1CCCC2)c1cccc(NC(=O)C2CCCC2)c1 ZINC000067726454 221277392 /nfs/dbraw/zinc/27/73/92/221277392.db2.gz SMSTUFRXZBYTHF-UHFFFAOYSA-N 1 2 352.438 3.600 50 0 FHAALO c1nn2cc(C[N@H+](Cc3ccccn3)C3CC3)cnc2c1-c1ccccc1 ZINC000067712760 221274096 /nfs/dbraw/zinc/27/40/96/221274096.db2.gz ZYBJTKXSXAYTAN-UHFFFAOYSA-N 1 2 355.445 3.956 50 0 FHAALO c1nn2cc(C[N@@H+](Cc3ccccn3)C3CC3)cnc2c1-c1ccccc1 ZINC000067712760 221274099 /nfs/dbraw/zinc/27/40/99/221274099.db2.gz ZYBJTKXSXAYTAN-UHFFFAOYSA-N 1 2 355.445 3.956 50 0 FHAALO O=C(Nc1c[nH+]c2n1CCCC2)c1ccccc1OC(F)(F)C(F)F ZINC000067754364 221280781 /nfs/dbraw/zinc/28/07/81/221280781.db2.gz UOVSYULAHRFPSO-UHFFFAOYSA-N 1 2 357.307 3.708 50 0 FHAALO Cc1[nH+]c2ccccc2n1Cc1cc(C(=O)NCc2cc(C)ccc2C)[nH]n1 ZINC000067757800 221281827 /nfs/dbraw/zinc/28/18/27/221281827.db2.gz XMXCJSRUARCSPM-UHFFFAOYSA-N 1 2 373.460 3.663 50 0 FHAALO COc1ccc(-c2nc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)c(C)o2)c(OC)c1C ZINC000067840339 221291932 /nfs/dbraw/zinc/29/19/32/221291932.db2.gz PHJLHGFBCSJMRZ-BETUJISGSA-N 1 2 360.454 3.585 50 0 FHAALO COc1ccc(-c2nc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c(C)o2)c(OC)c1C ZINC000067840339 221291937 /nfs/dbraw/zinc/29/19/37/221291937.db2.gz PHJLHGFBCSJMRZ-BETUJISGSA-N 1 2 360.454 3.585 50 0 FHAALO CCn1cc[nH+]c1CN1CCOc2c(O)cc(-c3ccccc3C)cc2C1 ZINC000067855622 221294982 /nfs/dbraw/zinc/29/49/82/221294982.db2.gz NUPXHEHFPFZULR-UHFFFAOYSA-N 1 2 363.461 3.979 50 0 FHAALO Cc1c(C[N@@H+]2CCOc3c(O)cc(-c4ccccc4C)cc3C2)cnn1C ZINC000067850866 221295601 /nfs/dbraw/zinc/29/56/01/221295601.db2.gz IHSBBQPYALGKKU-UHFFFAOYSA-N 1 2 363.461 3.804 50 0 FHAALO Cc1c(C[N@H+]2CCOc3c(O)cc(-c4ccccc4C)cc3C2)cnn1C ZINC000067850866 221295604 /nfs/dbraw/zinc/29/56/04/221295604.db2.gz IHSBBQPYALGKKU-UHFFFAOYSA-N 1 2 363.461 3.804 50 0 FHAALO CCOCC[N@@H+]1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 ZINC000067868336 221297315 /nfs/dbraw/zinc/29/73/15/221297315.db2.gz CLGBGIFRZHWQER-UHFFFAOYSA-N 1 2 370.474 3.900 50 0 FHAALO CCOCC[N@H+]1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 ZINC000067868336 221297316 /nfs/dbraw/zinc/29/73/16/221297316.db2.gz CLGBGIFRZHWQER-UHFFFAOYSA-N 1 2 370.474 3.900 50 0 FHAALO CCc1[nH]c(C)c(-c2c(-c3ccccc3)ncn2[C@H]2CCCCNC2=O)[nH+]1 ZINC000067982954 221312473 /nfs/dbraw/zinc/31/24/73/221312473.db2.gz HQYZZJHONALMDB-INIZCTEOSA-N 1 2 363.465 3.652 50 0 FHAALO CCCC[C@H]1C=CCN1C(=O)c1cc(C[N@H+](C)Cc2ccccc2)on1 ZINC000067983209 221312830 /nfs/dbraw/zinc/31/28/30/221312830.db2.gz HOIARZDTMHJDCK-SFHVURJKSA-N 1 2 353.466 3.877 50 0 FHAALO CCCC[C@H]1C=CCN1C(=O)c1cc(C[N@@H+](C)Cc2ccccc2)on1 ZINC000067983209 221312833 /nfs/dbraw/zinc/31/28/33/221312833.db2.gz HOIARZDTMHJDCK-SFHVURJKSA-N 1 2 353.466 3.877 50 0 FHAALO Cc1cc(C)c2[nH]c(=O)c([C@H]3c4[nH+]c[nH]c4CCN3Cc3ccco3)cc2c1 ZINC000071415683 221346262 /nfs/dbraw/zinc/34/62/62/221346262.db2.gz ILMDARXBEIJEBS-NRFANRHFSA-N 1 2 374.444 3.609 50 0 FHAALO Cc1ccc(-c2ccnc(N[C@@H](C)c3nc(-c4ccccn4)no3)n2)c(C)[nH+]1 ZINC000071551646 221351906 /nfs/dbraw/zinc/35/19/06/221351906.db2.gz HMTIROBMLRYWMW-AWEZNQCLSA-N 1 2 373.420 3.774 50 0 FHAALO O=C(Cc1c[nH+]c2ccccn12)N1CCC[C@H](CCc2ccc(F)cc2)C1 ZINC000071730199 221357385 /nfs/dbraw/zinc/35/73/85/221357385.db2.gz QHCFTUUGDNIYJD-GOSISDBHSA-N 1 2 365.452 3.887 50 0 FHAALO CC(C)[C@H]1C[N@H+](Cc2cscn2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071714916 221355992 /nfs/dbraw/zinc/35/59/92/221355992.db2.gz NGTYGQNXVVETGT-GOSISDBHSA-N 1 2 361.486 3.541 50 0 FHAALO CC(C)[C@H]1C[N@@H+](Cc2cscn2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071714916 221355995 /nfs/dbraw/zinc/35/59/95/221355995.db2.gz NGTYGQNXVVETGT-GOSISDBHSA-N 1 2 361.486 3.541 50 0 FHAALO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2c(C)cnn2C2CCCC2)c1C ZINC000299772867 533408875 /nfs/dbraw/zinc/40/88/75/533408875.db2.gz CWAMTPQNKRGHOT-UHFFFAOYSA-N 1 2 371.485 3.991 50 0 FHAALO Cc1ccccc1N1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H](C)C1 ZINC000077299793 132179695 /nfs/dbraw/zinc/17/96/95/132179695.db2.gz WRGKNKOLBJINQX-GOSISDBHSA-N 1 2 360.461 3.532 50 0 FHAALO O=C1CC2(CN1Cc1ccc(Cl)cc1)CCN(c1cccc[nH+]1)CC2 ZINC000077378880 132182762 /nfs/dbraw/zinc/18/27/62/132182762.db2.gz OUCKZFRPFNOYFJ-UHFFFAOYSA-N 1 2 355.869 3.754 50 0 FHAALO O=C1CC2(CN1CCCc1ccccc1)CCN(c1cc[nH+]cc1F)CC2 ZINC000095360894 132207686 /nfs/dbraw/zinc/20/76/86/132207686.db2.gz AJMLMFYRCGZVTB-UHFFFAOYSA-N 1 2 367.468 3.672 50 0 FHAALO O=C1CCC2(CCN(c3cc[nH+]cc3F)CC2)CN1CCc1ccccc1 ZINC000095371793 132208725 /nfs/dbraw/zinc/20/87/25/132208725.db2.gz BNSADOUDMOFBCX-UHFFFAOYSA-N 1 2 367.468 3.672 50 0 FHAALO C[C@@H](O)c1cccc(N2CCN(c3ccc(Cl)c(Cl)c3)CC2)[nH+]1 ZINC000096160380 132221313 /nfs/dbraw/zinc/22/13/13/132221313.db2.gz VCQQCVYBUDTDLP-GFCCVEGCSA-N 1 2 352.265 3.768 50 0 FHAALO Cc1cccc(N2CC[NH+]([C@@H](C)C(=O)Nc3ccc(F)cc3)CC2)c1C ZINC000096497141 132225160 /nfs/dbraw/zinc/22/51/60/132225160.db2.gz LHDZOSCIFQREJZ-KRWDZBQOSA-N 1 2 355.457 3.592 50 0 FHAALO C[C@H](NC(=O)[C@H](C)[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccccc1 ZINC000096490418 132225240 /nfs/dbraw/zinc/22/52/40/132225240.db2.gz RXERZDIWSHLRFW-IRXDYDNUSA-N 1 2 371.912 3.728 50 0 FHAALO O=C(NCc1c[nH+]c2ccccn12)c1cc(N2CCCCC2)ccc1Cl ZINC000252481511 132292139 /nfs/dbraw/zinc/29/21/39/132292139.db2.gz CNIIKUTWQUDNEP-UHFFFAOYSA-N 1 2 368.868 3.908 50 0 FHAALO O=C(C[NH+]1CCN(c2ccc3ccccc3n2)CC1)c1c[nH]c2ccccc12 ZINC000000754623 132378279 /nfs/dbraw/zinc/37/82/79/132378279.db2.gz ANGILUHQONHQQU-UHFFFAOYSA-N 1 2 370.456 3.721 50 0 FHAALO O=C(NCc1cc[nH+]c(N2CCSCC2)c1)Nc1ccccc1Cl ZINC000033280279 136117538 /nfs/dbraw/zinc/11/75/38/136117538.db2.gz DLYDNAVIQHEABT-UHFFFAOYSA-N 1 2 362.886 3.610 50 0 FHAALO O=C(CCSc1ccccc1)NCC1CCN(c2cccc[nH+]2)CC1 ZINC000043975899 136121491 /nfs/dbraw/zinc/12/14/91/136121491.db2.gz NAXRKEZYIITYCB-UHFFFAOYSA-N 1 2 355.507 3.597 50 0 FHAALO Cc1ccc(N2CC[NH+](CCNC(=O)Nc3ccccc3)CC2)c(Cl)c1 ZINC000055555061 136127157 /nfs/dbraw/zinc/12/71/57/136127157.db2.gz QTIDTNHKPPCONR-UHFFFAOYSA-N 1 2 372.900 3.592 50 0 FHAALO Oc1ccc(N2CC[NH+](Cc3cc4ccccc4nc3Cl)CC2)cc1 ZINC000058159594 136130515 /nfs/dbraw/zinc/13/05/15/136130515.db2.gz SYUYFORBVLODJT-UHFFFAOYSA-N 1 2 353.853 3.916 50 0 FHAALO COc1ccc(C(=O)[C@H]2CCCN(c3cc(C(C)C)[nH+]cn3)C2)cc1OC ZINC000071589473 136139386 /nfs/dbraw/zinc/13/93/86/136139386.db2.gz PENKSDPMZICNOQ-INIZCTEOSA-N 1 2 369.465 3.717 50 0 FHAALO Cc1ccc(C(N)=O)c(N2CCC[C@H](C(=O)c3ccc(Cl)cc3C)C2)[nH+]1 ZINC000071775668 136141134 /nfs/dbraw/zinc/14/11/34/136141134.db2.gz YPTDFXNKRNIABV-AWEZNQCLSA-N 1 2 371.868 3.550 50 0 FHAALO CSc1ccc2c(C)cc(N3CCC[C@@]4(CN(C)C(=O)O4)C3)[nH+]c2c1 ZINC000072428239 136146635 /nfs/dbraw/zinc/14/66/35/136146635.db2.gz WZTDKNNNRNVPEY-LJQANCHMSA-N 1 2 357.479 3.686 50 0 FHAALO Cc1nc(N2CCCC2)cc([C@@H]2CCCN(c3ncncc3C(C)C)C2)[nH+]1 ZINC000072454385 136148539 /nfs/dbraw/zinc/14/85/39/136148539.db2.gz CFUWREHWAIXBBE-QGZVFWFLSA-N 1 2 366.513 3.683 50 0 FHAALO CCc1cccc(NC(=O)c2cccc3[nH]cc(C[NH+]4CCOCC4)c32)c1 ZINC000075483562 221582217 /nfs/dbraw/zinc/58/22/17/221582217.db2.gz KYQIWWMNBRSQFK-UHFFFAOYSA-N 1 2 363.461 3.815 50 0 FHAALO Cn1cc[nH+]c1C1CCN(C(=O)c2cc3cccc(Cl)c3n2C)CC1 ZINC000091724946 221788123 /nfs/dbraw/zinc/78/81/23/221788123.db2.gz RGHSXROWQLPLGO-UHFFFAOYSA-N 1 2 356.857 3.585 50 0 FHAALO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCn2nc(Cc3ccccc3)cc2C1 ZINC000096164693 222064367 /nfs/dbraw/zinc/06/43/67/222064367.db2.gz PAQWUKVGRYRWIU-UHFFFAOYSA-N 1 2 363.509 3.884 50 0 FHAALO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCn2nc(Cc3ccccc3)cc2C1 ZINC000096164693 222064374 /nfs/dbraw/zinc/06/43/74/222064374.db2.gz PAQWUKVGRYRWIU-UHFFFAOYSA-N 1 2 363.509 3.884 50 0 FHAALO Cc1cccc(O[C@H](C)C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)c1 ZINC000096536671 222124219 /nfs/dbraw/zinc/12/42/19/222124219.db2.gz IJVAPRGGIOXDJU-RVPHRTOXSA-N 1 2 364.489 3.620 50 0 FHAALO CCc1ccc(C[N@H+](CN2C(=O)NC3(CCC(C)CC3)C2=O)C2CC2)cc1 ZINC000096747829 222129277 /nfs/dbraw/zinc/12/92/77/222129277.db2.gz MCUMYNXGPFXZBC-UHFFFAOYSA-N 1 2 369.509 3.672 50 0 FHAALO CCc1ccc(C[N@@H+](CN2C(=O)NC3(CCC(C)CC3)C2=O)C2CC2)cc1 ZINC000096747829 222129280 /nfs/dbraw/zinc/12/92/80/222129280.db2.gz MCUMYNXGPFXZBC-UHFFFAOYSA-N 1 2 369.509 3.672 50 0 FHAALO COC(=O)[C@H](CC(C)C)[NH2+]Cc1ccc(OCc2csc(C)n2)cc1 ZINC000097164441 222166242 /nfs/dbraw/zinc/16/62/42/222166242.db2.gz KMVOUSOFUGVGKB-SFHVURJKSA-N 1 2 362.495 3.708 50 0 FHAALO O=C(N[C@H](CCn1cc[nH+]c1)c1ccccc1)c1ccc(-n2ccnc2)cc1 ZINC000097601075 222197040 /nfs/dbraw/zinc/19/70/40/222197040.db2.gz FQHCCYNHQSHJMZ-OAQYLSRUSA-N 1 2 371.444 3.630 50 0 FHAALO Cc1nnc(-c2ccc(C)c(NC(=O)N[C@H](c3[nH+]ccn3C)C(C)C)c2)o1 ZINC000097609973 222198809 /nfs/dbraw/zinc/19/88/09/222198809.db2.gz VJBHJECKEHYHBB-INIZCTEOSA-N 1 2 368.441 3.606 50 0 FHAALO CCc1[nH]c2ccc(NC(=O)NCc3csc(CSC)n3)cc2[nH+]1 ZINC000097813624 222214044 /nfs/dbraw/zinc/21/40/44/222214044.db2.gz FDKRMXSNMBCTFW-UHFFFAOYSA-N 1 2 361.496 3.767 50 0 FHAALO O=C(c1cccc(-c2cn[nH]c2)c1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000097813662 222214092 /nfs/dbraw/zinc/21/40/92/222214092.db2.gz CRVYNIRKTBKDKW-VMPITWQZSA-N 1 2 372.472 3.548 50 0 FHAALO Cc1ccc(C[C@H]2CC(=O)N([C@H](C)c3ccc(-n4cc[nH+]c4)cc3)C2=O)cc1 ZINC000100188280 222238507 /nfs/dbraw/zinc/23/85/07/222238507.db2.gz XBSWHCIBLCFYRB-XLIONFOSSA-N 1 2 373.456 3.860 50 0 FHAALO O=C(NCc1cn2ccccc2[nH+]1)c1ccccc1SC[C@H]1CCCO1 ZINC000008279294 263353596 /nfs/dbraw/zinc/35/35/96/263353596.db2.gz NACPOSKSZZILDR-MRXNPFEDSA-N 1 2 367.474 3.535 50 0 FHAALO O=C(Nc1ccc2c(c1)CCC2)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000020437766 263379911 /nfs/dbraw/zinc/37/99/11/263379911.db2.gz DVSFFNVWMJPGIA-UHFFFAOYSA-N 1 2 353.441 3.664 50 0 FHAALO C[N@@H+]1CCc2c(sc3nc(SCCCc4ccccc4)nc(N)c32)C1 ZINC000020440889 263380275 /nfs/dbraw/zinc/38/02/75/263380275.db2.gz YUBOIGFFHYYMQB-UHFFFAOYSA-N 1 2 370.547 3.986 50 0 FHAALO C[N@H+]1CCc2c(sc3nc(SCCCc4ccccc4)nc(N)c32)C1 ZINC000020440889 263380279 /nfs/dbraw/zinc/38/02/79/263380279.db2.gz YUBOIGFFHYYMQB-UHFFFAOYSA-N 1 2 370.547 3.986 50 0 FHAALO COc1cccc([C@H]2CCCCN2C(=O)Cc2c[nH+]c3c(C)cccn23)c1 ZINC000299762131 533790366 /nfs/dbraw/zinc/79/03/66/533790366.db2.gz VZZAEDGQFMMFAZ-HXUWFJFHSA-N 1 2 363.461 3.948 50 0 FHAALO Fc1ccc(Cn2nc(C[NH2+]Cc3ccccn3)c(-c3ccccc3)n2)cc1 ZINC000261492624 534477817 /nfs/dbraw/zinc/47/78/17/534477817.db2.gz VJAZQVPUXXIHRH-UHFFFAOYSA-N 1 2 373.435 3.817 50 0 FHAALO CCOc1ccc(C[N@@H+]2CCCC[C@H]2c2nc(C)no2)cc1COC(C)=O ZINC000055100098 520972896 /nfs/dbraw/zinc/97/28/96/520972896.db2.gz AYFAAWXSGMSHDG-SFHVURJKSA-N 1 2 373.453 3.567 50 0 FHAALO CCOc1ccc(C[N@H+]2CCCC[C@H]2c2nc(C)no2)cc1COC(C)=O ZINC000055100098 520972902 /nfs/dbraw/zinc/97/29/02/520972902.db2.gz AYFAAWXSGMSHDG-SFHVURJKSA-N 1 2 373.453 3.567 50 0 FHAALO CC[N@@H+](Cc1ccc(Cl)s1)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O ZINC000252443989 521312977 /nfs/dbraw/zinc/31/29/77/521312977.db2.gz LEZJUKULFXSVBS-SJKOYZFVSA-N 1 2 369.918 3.682 50 0 FHAALO CC[N@H+](Cc1ccc(Cl)s1)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O ZINC000252443989 521312981 /nfs/dbraw/zinc/31/29/81/521312981.db2.gz LEZJUKULFXSVBS-SJKOYZFVSA-N 1 2 369.918 3.682 50 0 FHAALO CCOc1cccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC000020177710 521322681 /nfs/dbraw/zinc/32/26/81/521322681.db2.gz JSDAIGXTCLHOOI-JXMROGBWSA-N 1 2 350.462 3.557 50 0 FHAALO CCCCn1cc[nH+]c1C1CCN(C(=O)c2cccc(NC(C)=O)c2)CC1 ZINC000091595710 521393113 /nfs/dbraw/zinc/39/31/13/521393113.db2.gz JJVQCZJIPULZND-UHFFFAOYSA-N 1 2 368.481 3.661 50 0 FHAALO CCOC(=O)c1cccc(C(=O)c2ccccc2C[NH+]2CCSCC2)c1 ZINC000085651641 521534473 /nfs/dbraw/zinc/53/44/73/521534473.db2.gz KRMWSVFNNHIXIX-UHFFFAOYSA-N 1 2 369.486 3.643 50 0 FHAALO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1coc(-c2ccc(F)cc2)n1 ZINC000241231107 523787208 /nfs/dbraw/zinc/78/72/08/523787208.db2.gz KSCCUNJJTXFQJL-QGTPRVQTSA-N 1 2 358.413 3.787 50 0 FHAALO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1coc(-c2ccc(F)cc2)n1 ZINC000241231107 523787211 /nfs/dbraw/zinc/78/72/11/523787211.db2.gz KSCCUNJJTXFQJL-QGTPRVQTSA-N 1 2 358.413 3.787 50 0 FHAALO COc1ccccc1NC(=O)N1CCC[C@@H](c2[nH+]ccn2CC2CC2)C1 ZINC000082109114 524611121 /nfs/dbraw/zinc/61/11/21/524611121.db2.gz DYQOQIDZGWVNES-MRXNPFEDSA-N 1 2 354.454 3.713 50 0 FHAALO C[C@@H](NC(=O)C[N@@H+]1CCn2cccc2[C@H]1C)c1ccc2c(c1)CCCC2 ZINC000242183908 525110117 /nfs/dbraw/zinc/11/01/17/525110117.db2.gz XCXQTJIWUKBRJN-IAGOWNOFSA-N 1 2 351.494 3.621 50 0 FHAALO C[C@@H](NC(=O)C[N@H+]1CCn2cccc2[C@H]1C)c1ccc2c(c1)CCCC2 ZINC000242183908 525110122 /nfs/dbraw/zinc/11/01/22/525110122.db2.gz XCXQTJIWUKBRJN-IAGOWNOFSA-N 1 2 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Cc1cc(C)cc(NC(=O)C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)c1 ZINC000007927240 571294448 /nfs/dbraw/zinc/29/44/48/571294448.db2.gz RVWGJPSVJMRWNU-GOSISDBHSA-N 1 2 358.507 3.985 50 0 FHAALO Cc1cc(C)cc(NC(=O)C[N@H+](Cc2cccs2)C[C@H]2CCCO2)c1 ZINC000007927240 571294450 /nfs/dbraw/zinc/29/44/50/571294450.db2.gz RVWGJPSVJMRWNU-GOSISDBHSA-N 1 2 358.507 3.985 50 0 FHAALO CC(=O)c1ccc(NC(=O)C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)cc1 ZINC000007927283 571294495 /nfs/dbraw/zinc/29/44/95/571294495.db2.gz ZIAYRXWCKKYXLQ-SFHVURJKSA-N 1 2 372.490 3.570 50 0 FHAALO CC(=O)c1ccc(NC(=O)C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)cc1 ZINC000007927283 571294496 /nfs/dbraw/zinc/29/44/96/571294496.db2.gz ZIAYRXWCKKYXLQ-SFHVURJKSA-N 1 2 372.490 3.570 50 0 FHAALO Cc1cc(C)cc(NC(=O)C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)c1 ZINC000007927239 571294554 /nfs/dbraw/zinc/29/45/54/571294554.db2.gz RVWGJPSVJMRWNU-SFHVURJKSA-N 1 2 358.507 3.985 50 0 FHAALO Cc1cc(C)cc(NC(=O)C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)c1 ZINC000007927239 571294555 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FHAALO Cn1nc(Br)c2c1nc[nH+]c2NC(C)(C)CCc1ccccc1 ZINC000079099031 571326962 /nfs/dbraw/zinc/32/69/62/571326962.db2.gz DHSOWDGFKIKYGL-UHFFFAOYSA-N 1 2 374.286 3.949 50 0 FHAALO COC(=O)[C@@](C)(c1ccccn1)[N@H+](C)CCCOc1cccc(Cl)c1 ZINC000095459802 571330152 /nfs/dbraw/zinc/33/01/52/571330152.db2.gz DWVBSPNOSVTRJD-LJQANCHMSA-N 1 2 362.857 3.524 50 0 FHAALO COC(=O)[C@@](C)(c1ccccn1)[N@@H+](C)CCCOc1cccc(Cl)c1 ZINC000095459802 571330153 /nfs/dbraw/zinc/33/01/53/571330153.db2.gz DWVBSPNOSVTRJD-LJQANCHMSA-N 1 2 362.857 3.524 50 0 FHAALO Cc1csc(C2([NH2+]CC(=O)Nc3ccc(F)cc3Cl)CCC2)n1 ZINC000095960375 571333024 /nfs/dbraw/zinc/33/30/24/571333024.db2.gz BGBQIDNKBWRASU-UHFFFAOYSA-N 1 2 353.850 3.852 50 0 FHAALO Cc1ccc2[nH]c(N3CCC(C(=O)NC4CCCCCC4)CC3)[nH+]c2c1 ZINC000003060370 571344468 /nfs/dbraw/zinc/34/44/68/571344468.db2.gz XIACJEHBHFGQAN-UHFFFAOYSA-N 1 2 354.498 3.927 50 0 FHAALO Cc1ccc2[nH+]c(N3CCC(C(=O)NC4CCCCCC4)CC3)[nH]c2c1 ZINC000003060370 571344469 /nfs/dbraw/zinc/34/44/69/571344469.db2.gz XIACJEHBHFGQAN-UHFFFAOYSA-N 1 2 354.498 3.927 50 0 FHAALO c1nn(-c2ccccc2)c2nc[nH+]c(NCCc3c[nH]c4ccccc34)c12 ZINC000003912196 571353298 /nfs/dbraw/zinc/35/32/98/571353298.db2.gz ABQHKYDCMABBBA-UHFFFAOYSA-N 1 2 354.417 3.951 50 0 FHAALO C[C@H](NC(=O)c1ccc(Br)o1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000008012805 571358409 /nfs/dbraw/zinc/35/84/09/571358409.db2.gz UGRWJXPOPPJYSA-NSHDSACASA-N 1 2 360.211 3.719 50 0 FHAALO COc1ccc([C@@H](NC(=O)Cc2ccc(Cl)cc2)c2[nH+]ccn2C)cc1 ZINC000008216484 571359938 /nfs/dbraw/zinc/35/99/38/571359938.db2.gz OGHLHWPIXOGIOV-LJQANCHMSA-N 1 2 369.852 3.530 50 0 FHAALO O=C(N[C@@H]1CC[C@@H](Cc2ccccc2)C1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000333762687 945334826 /nfs/dbraw/zinc/33/48/26/945334826.db2.gz WBCXJDCVXZCPJO-IPMKNSEASA-N 1 2 352.482 3.710 50 0 FHAALO CC[C@H](NC(=O)c1csc2c1CC[N@H+](Cc1c(C)noc1C)C2)C1CC1 ZINC000426503142 945003476 /nfs/dbraw/zinc/00/34/76/945003476.db2.gz WHISIWIUOIACBR-SFHVURJKSA-N 1 2 373.522 3.830 50 0 FHAALO CC[C@H](NC(=O)c1csc2c1CC[N@@H+](Cc1c(C)noc1C)C2)C1CC1 ZINC000426503142 945003486 /nfs/dbraw/zinc/00/34/86/945003486.db2.gz WHISIWIUOIACBR-SFHVURJKSA-N 1 2 373.522 3.830 50 0 FHAALO Cc1ccc(Cn2nc(C[NH2+]Cc3ccccn3)c(-c3ccccc3)n2)cc1 ZINC000261491660 223074874 /nfs/dbraw/zinc/07/48/74/223074874.db2.gz BMGUZYMVIBOKQX-UHFFFAOYSA-N 1 2 369.472 3.987 50 0 FHAALO Cc1ccccc1[C@@]1(CC(=O)N2CCc3[nH]c[nH+]c3C2)CCOC(C)(C)C1 ZINC000299758156 223083306 /nfs/dbraw/zinc/08/33/06/223083306.db2.gz DPQYVDIRKXFTDM-JOCHJYFZSA-N 1 2 367.493 3.520 50 0 FHAALO Cc1ccccc1[C@@]1(CC(=O)N2CCc3[nH+]c[nH]c3C2)CCOC(C)(C)C1 ZINC000299758156 223083309 /nfs/dbraw/zinc/08/33/09/223083309.db2.gz DPQYVDIRKXFTDM-JOCHJYFZSA-N 1 2 367.493 3.520 50 0 FHAALO Cc1ccccc1[C@]1(CC(=O)N2CCc3[nH]c[nH+]c3C2)CCOC(C)(C)C1 ZINC000299758158 223083472 /nfs/dbraw/zinc/08/34/72/223083472.db2.gz DPQYVDIRKXFTDM-QFIPXVFZSA-N 1 2 367.493 3.520 50 0 FHAALO Cc1ccccc1[C@]1(CC(=O)N2CCc3[nH+]c[nH]c3C2)CCOC(C)(C)C1 ZINC000299758158 223083474 /nfs/dbraw/zinc/08/34/74/223083474.db2.gz DPQYVDIRKXFTDM-QFIPXVFZSA-N 1 2 367.493 3.520 50 0 FHAALO Cn1cc[nH+]c1[C@@H](NC(=O)Cc1ccccc1Cl)c1ccccc1F ZINC000009156776 219875197 /nfs/dbraw/zinc/87/51/97/219875197.db2.gz NZXDWSHHYZLYCX-SFHVURJKSA-N 1 2 357.816 3.661 50 0 FHAALO Cc1ccc2oc(C(=O)N[C@H](Cc3[nH]cc[nH+]3)c3ccccc3)cc(=O)c2c1 ZINC000012531156 220003014 /nfs/dbraw/zinc/00/30/14/220003014.db2.gz ZDMHIGZDAPIBJZ-QGZVFWFLSA-N 1 2 373.412 3.538 50 0 FHAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccccc1OC(F)F)c1ccccc1 ZINC000012531920 220003737 /nfs/dbraw/zinc/00/37/37/220003737.db2.gz KPEFFXNVCUVROH-INIZCTEOSA-N 1 2 357.360 3.541 50 0 FHAALO C[C@@H](Sc1ccccc1)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000012538797 220004307 /nfs/dbraw/zinc/00/43/07/220004307.db2.gz FMFPVDRCDRPREY-RDTXWAMCSA-N 1 2 369.465 3.946 50 0 FHAALO Cc1ccc(O[C@H](C)C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2F)cc1 ZINC000012550413 220006520 /nfs/dbraw/zinc/00/65/20/220006520.db2.gz ZAWKCLMXAPRYLM-BEFAXECRSA-N 1 2 367.424 3.541 50 0 FHAALO Cn1cc[nH+]c1[C@H](NC(=O)Cc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000012559778 220006826 /nfs/dbraw/zinc/00/68/26/220006826.db2.gz RZLNSFUHAFDDKJ-GOSISDBHSA-N 1 2 357.816 3.661 50 0 FHAALO Cn1cc[nH+]c1[C@@H](NC(=O)Cc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000012559011 220007248 /nfs/dbraw/zinc/00/72/48/220007248.db2.gz YRJCDZTYGQQZHK-SFHVURJKSA-N 1 2 373.378 3.887 50 0 FHAALO CC(=O)c1cc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc4c(c3)OCO4)C2)cs1 ZINC000012571773 220008460 /nfs/dbraw/zinc/00/84/60/220008460.db2.gz LTSLHGGPVCHVAC-MRXNPFEDSA-N 1 2 371.458 3.774 50 0 FHAALO CC(=O)c1cc(C[N@H+]2CCC[C@@H](C(=O)c3ccc4c(c3)OCO4)C2)cs1 ZINC000012571773 220008464 /nfs/dbraw/zinc/00/84/64/220008464.db2.gz LTSLHGGPVCHVAC-MRXNPFEDSA-N 1 2 371.458 3.774 50 0 FHAALO Cn1cc[nH+]c1[C@@H](NC(=O)Cc1cccc(F)c1)c1ccc(Cl)cc1 ZINC000012627469 220014627 /nfs/dbraw/zinc/01/46/27/220014627.db2.gz ZYONRCLJFARKFA-SFHVURJKSA-N 1 2 357.816 3.661 50 0 FHAALO c1csc(-c2noc(C[N@H+]3CCC[C@H](OCc4ccccc4)C3)n2)c1 ZINC000012713237 220021707 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c1coc(-c2nnc(C[N@H+]3CCC[C@H]3c3ccc4c(c3)OCCCO4)o2)c1 ZINC000012868058 220037370 /nfs/dbraw/zinc/03/73/70/220037370.db2.gz FCLISXPUUQZHOL-HNNXBMFYSA-N 1 2 367.405 3.828 50 0 FHAALO CCc1noc(C[N@@H+]2CC3(CCCC3)c3cc4c(cc3[C@@H]2C)OCCO4)n1 ZINC000012913226 220042172 /nfs/dbraw/zinc/04/21/72/220042172.db2.gz CNBKNWQDEONUEX-AWEZNQCLSA-N 1 2 369.465 3.792 50 0 FHAALO CCc1noc(C[N@H+]2CC3(CCCC3)c3cc4c(cc3[C@@H]2C)OCCO4)n1 ZINC000012913226 220042174 /nfs/dbraw/zinc/04/21/74/220042174.db2.gz CNBKNWQDEONUEX-AWEZNQCLSA-N 1 2 369.465 3.792 50 0 FHAALO COc1cc(NC(=O)[C@H](C)[N@H+](C)Cc2ccccc2Cl)cc(OC)c1 ZINC000013097100 220057072 /nfs/dbraw/zinc/05/70/72/220057072.db2.gz LPCXYCWFHOCHFH-ZDUSSCGKSA-N 1 2 362.857 3.816 50 0 FHAALO COc1cc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2Cl)cc(OC)c1 ZINC000013097100 220057074 /nfs/dbraw/zinc/05/70/74/220057074.db2.gz LPCXYCWFHOCHFH-ZDUSSCGKSA-N 1 2 362.857 3.816 50 0 FHAALO CC[N@@H+](Cc1ccc(Cl)s1)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O ZINC000014021164 220102902 /nfs/dbraw/zinc/10/29/02/220102902.db2.gz LEZJUKULFXSVBS-SJCJKPOMSA-N 1 2 369.918 3.682 50 0 FHAALO CC[N@H+](Cc1ccc(Cl)s1)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O ZINC000014021164 220102904 /nfs/dbraw/zinc/10/29/04/220102904.db2.gz LEZJUKULFXSVBS-SJCJKPOMSA-N 1 2 369.918 3.682 50 0 FHAALO C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000014110196 220106613 /nfs/dbraw/zinc/10/66/13/220106613.db2.gz DVZHCVANKATPKQ-GHMZBOCLSA-N 1 2 366.330 3.889 50 0 FHAALO C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000014110196 220106617 /nfs/dbraw/zinc/10/66/17/220106617.db2.gz DVZHCVANKATPKQ-GHMZBOCLSA-N 1 2 366.330 3.889 50 0 FHAALO Oc1cc(-c2cccnc2)cc2c1OCC[N@H+](Cc1ccccc1F)C2 ZINC000015069611 220146280 /nfs/dbraw/zinc/14/62/80/220146280.db2.gz VHQWEFRYEVXCRW-UHFFFAOYSA-N 1 2 350.393 3.988 50 0 FHAALO Oc1cc(-c2cccnc2)cc2c1OCC[N@@H+](Cc1ccccc1F)C2 ZINC000015069611 220146283 /nfs/dbraw/zinc/14/62/83/220146283.db2.gz VHQWEFRYEVXCRW-UHFFFAOYSA-N 1 2 350.393 3.988 50 0 FHAALO Cc1ccc([C@H](C)NC(=O)c2cc(C[N@H+](C)Cc3ccccc3)on2)cn1 ZINC000015067530 220144279 /nfs/dbraw/zinc/14/42/79/220144279.db2.gz UVILZKQVXQQNDW-INIZCTEOSA-N 1 2 364.449 3.501 50 0 FHAALO Cc1ccc([C@H](C)NC(=O)c2cc(C[N@@H+](C)Cc3ccccc3)on2)cn1 ZINC000015067530 220144282 /nfs/dbraw/zinc/14/42/82/220144282.db2.gz UVILZKQVXQQNDW-INIZCTEOSA-N 1 2 364.449 3.501 50 0 FHAALO COc1ccc(C[N@H+](C)Cc2nc(-c3ccccc3C)no2)cc1OC ZINC000015298107 220150268 /nfs/dbraw/zinc/15/02/68/220150268.db2.gz HNDWBFBQCZYPKG-UHFFFAOYSA-N 1 2 353.422 3.694 50 0 FHAALO COc1ccc(C[N@@H+](C)Cc2nc(-c3ccccc3C)no2)cc1OC ZINC000015298107 220150273 /nfs/dbraw/zinc/15/02/73/220150273.db2.gz HNDWBFBQCZYPKG-UHFFFAOYSA-N 1 2 353.422 3.694 50 0 FHAALO Cc1cc(C)c(NC(=O)C[N@H+](C)C[C@H]2COc3ccccc3O2)c(Cl)c1 ZINC000016628324 220189037 /nfs/dbraw/zinc/18/90/37/220189037.db2.gz NPPNNZGZDZSDTB-HNNXBMFYSA-N 1 2 374.868 3.667 50 0 FHAALO Cc1cc(C)c(NC(=O)C[N@@H+](C)C[C@H]2COc3ccccc3O2)c(Cl)c1 ZINC000016628324 220189042 /nfs/dbraw/zinc/18/90/42/220189042.db2.gz NPPNNZGZDZSDTB-HNNXBMFYSA-N 1 2 374.868 3.667 50 0 FHAALO O=C(c1c[nH+]c2ccccc2c1Nc1cc(F)ccc1F)N1CCOCC1 ZINC000017200772 220209627 /nfs/dbraw/zinc/20/96/27/220209627.db2.gz UXGHDAVVVMIHCZ-UHFFFAOYSA-N 1 2 369.371 3.729 50 0 FHAALO COc1cccc(C[NH+]2CCN(Cc3ccc(SC)cc3)CC2)c1OC ZINC000019360268 220254019 /nfs/dbraw/zinc/25/40/19/220254019.db2.gz PWWRWVCVTIDDES-UHFFFAOYSA-N 1 2 372.534 3.744 50 0 FHAALO O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000019683105 220286124 /nfs/dbraw/zinc/28/61/24/220286124.db2.gz NRQDNDCTDFIMNZ-BJMVGYQFSA-N 1 2 356.853 3.824 50 0 FHAALO C[N@@H+]1CCN(C(=O)c2ccc3nc(C4CC4)oc3c2)[C@@H](c2ccccc2)C1 ZINC000019787884 220295986 /nfs/dbraw/zinc/29/59/86/220295986.db2.gz MLVWRYZYASUMHQ-LJQANCHMSA-N 1 2 361.445 3.834 50 0 FHAALO C[N@H+]1CCN(C(=O)c2ccc3nc(C4CC4)oc3c2)[C@@H](c2ccccc2)C1 ZINC000019787884 220295991 /nfs/dbraw/zinc/29/59/91/220295991.db2.gz MLVWRYZYASUMHQ-LJQANCHMSA-N 1 2 361.445 3.834 50 0 FHAALO Cc1ccc2c(C[NH+]3CCN(Cc4ccccc4F)CC3)cc(=O)oc2c1 ZINC000020353138 220324641 /nfs/dbraw/zinc/32/46/41/220324641.db2.gz TVICGAPIQYLZDY-UHFFFAOYSA-N 1 2 366.436 3.558 50 0 biogenic,in-vitro FHAALO Cc1ccc2c(CN3CC[NH+](Cc4ccccc4F)CC3)cc(=O)oc2c1 ZINC000020353138 220324644 /nfs/dbraw/zinc/32/46/44/220324644.db2.gz TVICGAPIQYLZDY-UHFFFAOYSA-N 1 2 366.436 3.558 50 0 biogenic,in-vitro FHAALO CC(C)c1ccc(NC(=S)N2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000020664472 220337104 /nfs/dbraw/zinc/33/71/04/220337104.db2.gz ZOWULJYNVRBENH-UHFFFAOYSA-N 1 2 354.523 3.720 50 0 FHAALO Cc1ccc(-n2ncc3c2nc[nH+]c3NCc2cccnc2)cc1Cl ZINC000020661964 220337656 /nfs/dbraw/zinc/33/76/56/220337656.db2.gz ZQIVRUPZQCCDBI-UHFFFAOYSA-N 1 2 350.813 3.784 50 0 FHAALO Cc1c(C[N@@H+](C)Cc2nncn2C)c(-c2ccccc2)nn1-c1ccccc1 ZINC000020856607 220342848 /nfs/dbraw/zinc/34/28/48/220342848.db2.gz XQYFGHWJUZTHQK-UHFFFAOYSA-N 1 2 372.476 3.608 50 0 FHAALO Cc1c(C[N@H+](C)Cc2nncn2C)c(-c2ccccc2)nn1-c1ccccc1 ZINC000020856607 220342852 /nfs/dbraw/zinc/34/28/52/220342852.db2.gz XQYFGHWJUZTHQK-UHFFFAOYSA-N 1 2 372.476 3.608 50 0 FHAALO Cn1cccc1[C@@H](CNC(=O)c1cccs1)[N@@H+]1CCc2ccccc2C1 ZINC000021151639 220352862 /nfs/dbraw/zinc/35/28/62/220352862.db2.gz DDUGGXAMXVAJRO-LJQANCHMSA-N 1 2 365.502 3.616 50 0 FHAALO Cn1cccc1[C@@H](CNC(=O)c1cccs1)[N@H+]1CCc2ccccc2C1 ZINC000021151639 220352865 /nfs/dbraw/zinc/35/28/65/220352865.db2.gz DDUGGXAMXVAJRO-LJQANCHMSA-N 1 2 365.502 3.616 50 0 FHAALO O=C(N[C@@H]1CCCc2ccccc21)[C@@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000021159091 220353998 /nfs/dbraw/zinc/35/39/98/220353998.db2.gz JZWGKLKZCYSDHJ-IEBWSBKVSA-N 1 2 374.488 3.973 50 0 FHAALO C[C@H](NC(=O)C[N@@H+]1CCn2cccc2[C@@H]1C)c1ccc2c(c1)CCCC2 ZINC000021579478 220360350 /nfs/dbraw/zinc/36/03/50/220360350.db2.gz XCXQTJIWUKBRJN-IRXDYDNUSA-N 1 2 351.494 3.621 50 0 FHAALO C[C@H](NC(=O)C[N@H+]1CCn2cccc2[C@@H]1C)c1ccc2c(c1)CCCC2 ZINC000021579478 220360354 /nfs/dbraw/zinc/36/03/54/220360354.db2.gz XCXQTJIWUKBRJN-IRXDYDNUSA-N 1 2 351.494 3.621 50 0 FHAALO CCc1cccc(NC(=O)C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)c1 ZINC000021584066 220360391 /nfs/dbraw/zinc/36/03/91/220360391.db2.gz KPHFORRILSWRSM-GOSISDBHSA-N 1 2 358.507 3.930 50 0 FHAALO CCc1cccc(NC(=O)C[N@H+](Cc2cccs2)C[C@H]2CCCO2)c1 ZINC000021584066 220360394 /nfs/dbraw/zinc/36/03/94/220360394.db2.gz KPHFORRILSWRSM-GOSISDBHSA-N 1 2 358.507 3.930 50 0 FHAALO Cc1nn(-c2ccccc2)c(Cl)c1CSc1[nH+]cnc2c1cnn2C ZINC000021754908 220366618 /nfs/dbraw/zinc/36/66/18/220366618.db2.gz MEXWDONLTOVZSK-UHFFFAOYSA-N 1 2 370.869 3.803 50 0 FHAALO Cc1ccc(-c2csc3ncn(CCCn4cc[nH+]c4)c(=O)c23)cc1 ZINC000021790223 220367894 /nfs/dbraw/zinc/36/78/94/220367894.db2.gz VSDRPJXAVKVBDP-UHFFFAOYSA-N 1 2 350.447 3.720 50 0 FHAALO COc1cc(OC)c(CNC[C@@H](c2ccco2)[NH+]2CCCCC2)c(OC)c1 ZINC000022024827 220373559 /nfs/dbraw/zinc/37/35/59/220373559.db2.gz WXSMOZTUNBXGQH-SFHVURJKSA-N 1 2 374.481 3.622 50 0 FHAALO Cc1nc2n(n1)C(=O)C([C@H](c1cccc(C)c1)[NH+]1CCC(C)CC1)S2 ZINC000022626151 220393188 /nfs/dbraw/zinc/39/31/88/220393188.db2.gz PDQJCQUZSMXFMU-INIZCTEOSA-N 1 2 356.495 3.935 50 0 FHAALO Cc1nc2n(n1)C(=O)C([C@H](c1cccc(C)c1)[N@@H+]1CCC[C@@H](C)C1)S2 ZINC000022626076 220393203 /nfs/dbraw/zinc/39/32/03/220393203.db2.gz OWEOZWPOVTUCPZ-CJNGLKHVSA-N 1 2 356.495 3.935 50 0 FHAALO Cc1nc2n(n1)C(=O)C([C@H](c1cccc(C)c1)[N@H+]1CCC[C@@H](C)C1)S2 ZINC000022626076 220393204 /nfs/dbraw/zinc/39/32/04/220393204.db2.gz OWEOZWPOVTUCPZ-CJNGLKHVSA-N 1 2 356.495 3.935 50 0 FHAALO C[C@H](C(=O)Nc1ccccc1Cl)N1CC[NH+](Cc2ccsc2)CC1 ZINC000022785803 220398996 /nfs/dbraw/zinc/39/89/96/220398996.db2.gz SUHDZYKGHREGEH-CQSZACIVSA-N 1 2 363.914 3.546 50 0 FHAALO Cn1ccnc1[C@H]([NH2+]Cc1cnn(Cc2ccccc2)c1)c1ccccc1 ZINC000030643896 220623450 /nfs/dbraw/zinc/62/34/50/220623450.db2.gz IIMLUYNARBOUAR-OAQYLSRUSA-N 1 2 357.461 3.544 50 0 FHAALO Cc1[nH]c(=S)sc1CC(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000032902343 220694251 /nfs/dbraw/zinc/69/42/51/220694251.db2.gz ZWPJROAGYNXYKE-UHFFFAOYSA-N 1 2 372.519 3.998 50 0 FHAALO Cc1ccc(-c2nc(C)c(C(=O)NCCc3cn4ccccc4[nH+]3)s2)o1 ZINC000032933822 220701974 /nfs/dbraw/zinc/70/19/74/220701974.db2.gz PNUOPRNHCSUQRP-UHFFFAOYSA-N 1 2 366.446 3.640 50 0 FHAALO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N(C)Cc2ccco2)C[C@@H](C)O1 ZINC000047569487 220995511 /nfs/dbraw/zinc/99/55/11/220995511.db2.gz CDTABBDMUZXIPL-HZPDHXFCSA-N 1 2 357.454 3.553 50 0 FHAALO O=C(Cc1c[nH]c2ccccc12)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000048253089 221003095 /nfs/dbraw/zinc/00/30/95/221003095.db2.gz ZHGWIKOTULGCOJ-UHFFFAOYSA-N 1 2 362.477 3.802 50 0 FHAALO CC[C@@H](C(=O)N(CCCn1cc[nH+]c1)Cc1ccncc1)c1ccccc1 ZINC000055168553 221061465 /nfs/dbraw/zinc/06/14/65/221061465.db2.gz LIRYPKCHSFWPGQ-OAQYLSRUSA-N 1 2 362.477 3.891 50 0 FHAALO COc1cccc(NC(=S)N2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC000055514565 221070522 /nfs/dbraw/zinc/07/05/22/221070522.db2.gz GPLNVYBZYNALRG-RMKNXTFCSA-N 1 2 367.518 3.723 50 0 FHAALO Cc1[nH+]c2ccccc2n1CC(=O)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC000055946466 221076134 /nfs/dbraw/zinc/07/61/34/221076134.db2.gz PSAUNNMCCLLIAD-TZIWHRDSSA-N 1 2 367.424 3.520 50 0 FHAALO CCCN(C(=O)c1ccc(-n2cc[nH+]c2)nc1)[C@@H]1CCc2ccccc2C1 ZINC000056352065 221080198 /nfs/dbraw/zinc/08/01/98/221080198.db2.gz AIBHYWQZSMSZQO-HXUWFJFHSA-N 1 2 360.461 3.677 50 0 FHAALO COCc1ncc(C[N@H+](Cc2ccc(C)s2)Cc2ccncc2)cn1 ZINC000055401451 221068752 /nfs/dbraw/zinc/06/87/52/221068752.db2.gz QUCBTGDCBKPGLV-UHFFFAOYSA-N 1 2 354.479 3.590 50 0 FHAALO COCc1ncc(C[N@@H+](Cc2ccc(C)s2)Cc2ccncc2)cn1 ZINC000055401451 221068754 /nfs/dbraw/zinc/06/87/54/221068754.db2.gz QUCBTGDCBKPGLV-UHFFFAOYSA-N 1 2 354.479 3.590 50 0 FHAALO O=C(Nc1ccc(F)cc1F)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000057407074 221087109 /nfs/dbraw/zinc/08/71/09/221087109.db2.gz HYVAQNITSMNNLK-QPJJXVBHSA-N 1 2 357.404 3.828 50 0 aggregator FHAALO Cc1cccc(C)c1OCc1nn2c(C[NH+]3CCCCCC3)nnc2s1 ZINC000057524645 221090759 /nfs/dbraw/zinc/09/07/59/221090759.db2.gz QZWDWMZCFNFJSA-UHFFFAOYSA-N 1 2 371.510 3.758 50 0 FHAALO Cc1sc2[nH]c(C[NH2+]Cc3ccco3)nc(=O)c2c1-c1ccccc1 ZINC000058444809 221120184 /nfs/dbraw/zinc/12/01/84/221120184.db2.gz SSYUHSWFTYSDGZ-UHFFFAOYSA-N 1 2 351.431 3.843 50 0 FHAALO c1cc(C[N@@H+]2CCC[C@@H]2c2nc(-c3cccnc3)no2)n(-c2ccccn2)c1 ZINC000065372063 221204576 /nfs/dbraw/zinc/20/45/76/221204576.db2.gz QZVBPOKJRKLGJL-GOSISDBHSA-N 1 2 372.432 3.654 50 0 FHAALO c1cc(C[N@H+]2CCC[C@@H]2c2nc(-c3cccnc3)no2)n(-c2ccccn2)c1 ZINC000065372063 221204577 /nfs/dbraw/zinc/20/45/77/221204577.db2.gz QZVBPOKJRKLGJL-GOSISDBHSA-N 1 2 372.432 3.654 50 0 FHAALO CCCn1cc[nH+]c1[C@H]1CC(=O)Nc2cc(NC(=O)C(C)C)c(C)cc21 ZINC000065380312 221206470 /nfs/dbraw/zinc/20/64/70/221206470.db2.gz MZNDTMNWRAZBLK-HNNXBMFYSA-N 1 2 354.454 3.670 50 0 FHAALO COc1cccc(C[N@@H+]2CCC[C@H]2c2nc(-c3cccnc3)no2)c1F ZINC000065403988 221213790 /nfs/dbraw/zinc/21/37/90/221213790.db2.gz QLUOXBQGLZBFFD-HNNXBMFYSA-N 1 2 354.385 3.616 50 0 FHAALO COc1cccc(C[N@H+]2CCC[C@H]2c2nc(-c3cccnc3)no2)c1F ZINC000065403988 221213792 /nfs/dbraw/zinc/21/37/92/221213792.db2.gz QLUOXBQGLZBFFD-HNNXBMFYSA-N 1 2 354.385 3.616 50 0 FHAALO Cc1nnc([C@H]2Cc3ccccc3C[N@@H+]2CCOc2ccc(F)cc2)o1 ZINC000065517654 221229862 /nfs/dbraw/zinc/22/98/62/221229862.db2.gz IVYYIUQHZGNZTO-LJQANCHMSA-N 1 2 353.397 3.696 50 0 FHAALO Cc1nnc([C@H]2Cc3ccccc3C[N@H+]2CCOc2ccc(F)cc2)o1 ZINC000065517654 221229864 /nfs/dbraw/zinc/22/98/64/221229864.db2.gz IVYYIUQHZGNZTO-LJQANCHMSA-N 1 2 353.397 3.696 50 0 FHAALO Cc1ccc(Nc2nc(N3CCN(C(=O)C(C)(C)C)CC3)cc(C)[nH+]2)cc1 ZINC000067622074 221263754 /nfs/dbraw/zinc/26/37/54/221263754.db2.gz AHFQLOQDNLKXMY-UHFFFAOYSA-N 1 2 367.497 3.532 50 0 FHAALO Cc1cc2oc(=O)cc(C[N@@H+]3CCc4[nH]nc(C5CCC5)c4C3)c2cc1C ZINC000067725142 221277717 /nfs/dbraw/zinc/27/77/17/221277717.db2.gz ZGFCOGYSLMJFNA-UHFFFAOYSA-N 1 2 363.461 3.959 50 0 FHAALO Cc1cc2oc(=O)cc(C[N@H+]3CCc4[nH]nc(C5CCC5)c4C3)c2cc1C ZINC000067725142 221277720 /nfs/dbraw/zinc/27/77/20/221277720.db2.gz ZGFCOGYSLMJFNA-UHFFFAOYSA-N 1 2 363.461 3.959 50 0 FHAALO Cc1cc2oc(=O)cc(C[N@@H+]3CCc4n[nH]c(C5CCC5)c4C3)c2cc1C ZINC000067725142 221277722 /nfs/dbraw/zinc/27/77/22/221277722.db2.gz ZGFCOGYSLMJFNA-UHFFFAOYSA-N 1 2 363.461 3.959 50 0 FHAALO Cc1cc2oc(=O)cc(C[N@H+]3CCc4n[nH]c(C5CCC5)c4C3)c2cc1C ZINC000067725142 221277723 /nfs/dbraw/zinc/27/77/23/221277723.db2.gz ZGFCOGYSLMJFNA-UHFFFAOYSA-N 1 2 363.461 3.959 50 0 FHAALO CCN(Cc1[nH+]ccn1C)C(=O)c1ccc(-c2cccc3ncccc32)nc1 ZINC000067672888 221267907 /nfs/dbraw/zinc/26/79/07/221267907.db2.gz VTMVNQLNOOUJHB-UHFFFAOYSA-N 1 2 371.444 3.693 50 0 FHAALO COc1ccccc1-n1cc(C[NH2+]Cc2nc3ccc(C)c(C)c3[nH]2)cn1 ZINC000067688800 221271360 /nfs/dbraw/zinc/27/13/60/221271360.db2.gz YVDCEIQTQYJOFQ-UHFFFAOYSA-N 1 2 361.449 3.664 50 0 FHAALO Cc1ccc([C@@H]2c3[nH]c[nH+]c3CCN2Cc2ccc3cccc(O)c3n2)o1 ZINC000067743740 221280491 /nfs/dbraw/zinc/28/04/91/221280491.db2.gz CSKDPYFWOCYRCY-OAQYLSRUSA-N 1 2 360.417 3.713 50 0 FHAALO CC(C)c1cc(C2CCN(C(=O)[C@@H](C)n3cc[nH+]c3C(C)C)CC2)n[nH]1 ZINC000067758213 221282345 /nfs/dbraw/zinc/28/23/45/221282345.db2.gz ZKKPPANFANPSQJ-OAHLLOKOSA-N 1 2 357.502 3.820 50 0 FHAALO c1nn2cc(C[N@@H+]3CCOc4ccccc4C3)cnc2c1-c1ccccc1 ZINC000067789090 221285216 /nfs/dbraw/zinc/28/52/16/221285216.db2.gz LEUWUYUFQFNEOM-UHFFFAOYSA-N 1 2 356.429 3.791 50 0 FHAALO c1nn2cc(C[N@H+]3CCOc4ccccc4C3)cnc2c1-c1ccccc1 ZINC000067789090 221285218 /nfs/dbraw/zinc/28/52/18/221285218.db2.gz LEUWUYUFQFNEOM-UHFFFAOYSA-N 1 2 356.429 3.791 50 0 FHAALO CCN(C)c1cc(N2CCc3onc(-c4ccc(Cl)cc4)c3C2)nc[nH+]1 ZINC000067833869 221291465 /nfs/dbraw/zinc/29/14/65/221291465.db2.gz BJCXDSKNSVBYIV-UHFFFAOYSA-N 1 2 369.856 3.804 50 0 FHAALO CCN(C)c1cc(N2CCc3onc(-c4ccc(Cl)cc4)c3C2)[nH+]cn1 ZINC000067833869 221291467 /nfs/dbraw/zinc/29/14/67/221291467.db2.gz BJCXDSKNSVBYIV-UHFFFAOYSA-N 1 2 369.856 3.804 50 0 FHAALO CCOc1cc([C@H]2c3[nH]c[nH+]c3CCN2Cc2ccco2)ccc1OC ZINC000067869150 221298421 /nfs/dbraw/zinc/29/84/21/221298421.db2.gz WSARPNVMBRBSLF-FQEVSTJZSA-N 1 2 353.422 3.558 50 0 FHAALO Nc1cc(N2CCc3[nH]nc(-c4ccc(-c5ccccc5)cc4)c3C2)[nH+]cn1 ZINC000067946969 221307683 /nfs/dbraw/zinc/30/76/83/221307683.db2.gz AAFOOKBAYVIIIB-UHFFFAOYSA-N 1 2 368.444 3.679 50 0 FHAALO COc1cc(-c2[nH+]ccn2Cc2csc(C(C)C)n2)cc2c1OCO2 ZINC000071730354 221356727 /nfs/dbraw/zinc/35/67/27/221356727.db2.gz LXFHIGMQLHVALE-UHFFFAOYSA-N 1 2 357.435 3.916 50 0 FHAALO O=C(NCc1ccc2[nH]c3c(c2c1)CCCC3)c1ccc(Cn2cc[nH+]c2)o1 ZINC000071745245 221358544 /nfs/dbraw/zinc/35/85/44/221358544.db2.gz ZYXMBUVUKAYTFP-UHFFFAOYSA-N 1 2 374.444 3.815 50 0 FHAALO CN(C(=O)C[N@@H+]1CCC[C@H](C(=O)c2cc(F)ccc2F)C1)c1ccccc1 ZINC000071752803 221363094 /nfs/dbraw/zinc/36/30/94/221363094.db2.gz RZNOOHCPQQHTKM-HNNXBMFYSA-N 1 2 372.415 3.523 50 0 FHAALO CN(C(=O)C[N@H+]1CCC[C@H](C(=O)c2cc(F)ccc2F)C1)c1ccccc1 ZINC000071752803 221363097 /nfs/dbraw/zinc/36/30/97/221363097.db2.gz RZNOOHCPQQHTKM-HNNXBMFYSA-N 1 2 372.415 3.523 50 0 FHAALO O=C(c1ccccc1-c1[nH]cc[nH+]1)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000071764716 221371247 /nfs/dbraw/zinc/37/12/47/221371247.db2.gz DWHFKZLOUIKZJX-SFHVURJKSA-N 1 2 367.836 3.944 50 0 FHAALO Cc1csc([C@@H](C)n2ccnc2-c2cccc(C[NH+]3CCOCC3)c2)n1 ZINC000071775869 221375161 /nfs/dbraw/zinc/37/51/61/221375161.db2.gz RMMDWZPFYUGHDN-MRXNPFEDSA-N 1 2 368.506 3.757 50 0 FHAALO C[C@H](O)CNc1[nH+]c2ccccc2n1Cc1ccc(F)c2cccnc12 ZINC000072014028 221395740 /nfs/dbraw/zinc/39/57/40/221395740.db2.gz GRTGXICJXTVHHN-ZDUSSCGKSA-N 1 2 350.397 3.565 50 0 FHAALO O=C(c1ccccc1-c1[nH]cc[nH+]1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000072436357 221528151 /nfs/dbraw/zinc/52/81/51/221528151.db2.gz ZGWKGJFYFZAQQI-OAHLLOKOSA-N 1 2 371.444 3.973 50 0 FHAALO CC(C)c1nc(CN(C)C(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)cs1 ZINC000077323629 132181452 /nfs/dbraw/zinc/18/14/52/132181452.db2.gz HGFGCZRJEPUHHR-HNNXBMFYSA-N 1 2 358.511 3.537 50 0 FHAALO COC(=O)c1oc([C@@H](C)[N@H+](C)[C@@H]2CCCN(c3ccccc3)C2=O)cc1C ZINC000095432495 132211098 /nfs/dbraw/zinc/21/10/98/132211098.db2.gz GKNGYHBBIWEPBN-NVXWUHKLSA-N 1 2 370.449 3.563 50 0 FHAALO COC(=O)c1oc([C@@H](C)[N@@H+](C)[C@@H]2CCCN(c3ccccc3)C2=O)cc1C ZINC000095432495 132211099 /nfs/dbraw/zinc/21/10/99/132211099.db2.gz GKNGYHBBIWEPBN-NVXWUHKLSA-N 1 2 370.449 3.563 50 0 FHAALO COc1cc(OC)cc(C(=O)Nc2c[nH+]c(N3CCCCC3)c(C)c2)c1 ZINC000095462454 132211398 /nfs/dbraw/zinc/21/13/98/132211398.db2.gz WIMOYNJNLBZUQE-UHFFFAOYSA-N 1 2 355.438 3.650 50 0 FHAALO C[C@H](C(=O)N[C@@H](C)c1ccccc1)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000096490415 132225316 /nfs/dbraw/zinc/22/53/16/132225316.db2.gz RXERZDIWSHLRFW-DLBZAZTESA-N 1 2 371.912 3.728 50 0 FHAALO Cc1nn(C)c(C)c1[C@@H](C)C(=O)Nc1c[nH+]c(N2CCCC[C@H]2C)c(C)c1 ZINC000108175883 132266493 /nfs/dbraw/zinc/26/64/93/132266493.db2.gz YFJRYRBXUGFIFN-HUUCEWRRSA-N 1 2 369.513 3.861 50 0 FHAALO COc1ccccc1N1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000055543159 132303371 /nfs/dbraw/zinc/30/33/71/132303371.db2.gz AXRFHVSJXDUWGD-UHFFFAOYSA-N 1 2 361.283 3.780 50 0 FHAALO S=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000018121868 132885903 /nfs/dbraw/zinc/88/59/03/132885903.db2.gz JITHUSYONWJERP-UHFFFAOYSA-N 1 2 367.305 3.907 50 0 FHAALO C[C@@H](NC(=O)[C@H](C)[NH+]1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000034684636 136117898 /nfs/dbraw/zinc/11/78/98/136117898.db2.gz YOCVCKJYDLFZIO-SJORKVTESA-N 1 2 371.912 3.728 50 0 FHAALO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000034684642 136117935 /nfs/dbraw/zinc/11/79/35/136117935.db2.gz HJAZACCNHHKRNM-INIZCTEOSA-N 1 2 357.885 3.798 50 0 FHAALO Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000054225149 136125236 /nfs/dbraw/zinc/12/52/36/136125236.db2.gz XRRIRIVFJAXBAY-UHFFFAOYSA-N 1 2 361.848 3.548 50 0 FHAALO Cc1c(C[NH+]2CCN(c3ccccc3O)CC2)noc1-c1ccc(F)cc1 ZINC000057336177 136128627 /nfs/dbraw/zinc/12/86/27/136128627.db2.gz VZKIESSLXJAYML-UHFFFAOYSA-N 1 2 367.424 3.817 50 0 FHAALO Cc1ccc(NC(=O)C[NH+]2CCN(c3cccc(C)c3C)CC2)cc1F ZINC000057580598 136129630 /nfs/dbraw/zinc/12/96/30/136129630.db2.gz ZOJOFGXYHKLEAF-UHFFFAOYSA-N 1 2 355.457 3.512 50 0 FHAALO COc1ccccc1N1CC[NH+](CC(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000058369498 136131731 /nfs/dbraw/zinc/13/17/31/136131731.db2.gz WYANVGQNJAPSLR-UHFFFAOYSA-N 1 2 368.521 3.603 50 0 FHAALO Cc1ccc(N2CC[NH+](CC(=O)c3ccc(Br)cc3)CC2)cc1 ZINC000067206474 136137015 /nfs/dbraw/zinc/13/70/15/136137015.db2.gz HTWDTXWLUSTWHM-UHFFFAOYSA-N 1 2 373.294 3.762 50 0 FHAALO Nc1cc(N2CCC[C@H](C(=O)c3ccc(Oc4ccccc4)cc3)C2)[nH+]cn1 ZINC000071662818 136139692 /nfs/dbraw/zinc/13/96/92/136139692.db2.gz LXKNVMFZFJDMCU-KRWDZBQOSA-N 1 2 374.444 3.950 50 0 FHAALO O=C(C[NH+]1CCN(c2c3c(cc4c2CCC4)CCC3)CC1)c1ccccc1 ZINC000075286839 136150313 /nfs/dbraw/zinc/15/03/13/136150313.db2.gz FIXDXZQPCCDMRY-UHFFFAOYSA-N 1 2 360.501 3.669 50 0 FHAALO Cc1ccc(NC(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2cscn2)C3)cc1 ZINC000091574618 221769091 /nfs/dbraw/zinc/76/90/91/221769091.db2.gz DWASRTWZXVHRLH-MAUKXSAKSA-N 1 2 356.495 3.580 50 0 FHAALO Cc1ccc(NC(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](Cc2cscn2)C3)cc1 ZINC000091574618 221769095 /nfs/dbraw/zinc/76/90/95/221769095.db2.gz DWASRTWZXVHRLH-MAUKXSAKSA-N 1 2 356.495 3.580 50 0 FHAALO COc1ccc2c(cc(C(=O)N[C@@H](Cn3cc[nH+]c3)c3ccccc3)n2C)c1 ZINC000091849374 221805436 /nfs/dbraw/zinc/80/54/36/221805436.db2.gz GZLOHJDOCVFGGT-IBGZPJMESA-N 1 2 374.444 3.555 50 0 FHAALO Cc1ccc(-c2cc(C(=O)N3CCC[C@H](c4[nH+]ccn4C(C)C)C3)[nH]n2)o1 ZINC000095354467 221854196 /nfs/dbraw/zinc/85/41/96/221854196.db2.gz QAZZHDOXYWFNAS-HNNXBMFYSA-N 1 2 367.453 3.775 50 0 FHAALO Cc1ncsc1CCC(=O)N1CCC(c2[nH+]ccn2CC2CCC2)CC1 ZINC000095506088 221932826 /nfs/dbraw/zinc/93/28/26/221932826.db2.gz JAYKFEBIZWJAPR-UHFFFAOYSA-N 1 2 372.538 3.787 50 0 FHAALO Cc1cccn2cc(-c3ccc(NC(=O)/C=C\c4cnn(C)c4)cc3)[nH+]c12 ZINC000096401808 222119684 /nfs/dbraw/zinc/11/96/84/222119684.db2.gz DOCWIDRKZIOEHF-YHYXMXQVSA-N 1 2 357.417 3.695 50 0 FHAALO Cc1cccc(O[C@@H](C)C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)c1 ZINC000096536670 222123852 /nfs/dbraw/zinc/12/38/52/222123852.db2.gz IJVAPRGGIOXDJU-QRGKHIHXSA-N 1 2 364.489 3.620 50 0 FHAALO Cc1cc(-c2nn(C)c(Cl)c2C[N@@H+]2CCC[C@H]2c2nccs2)no1 ZINC000097632114 222199898 /nfs/dbraw/zinc/19/98/98/222199898.db2.gz ZCBGNIXOGFMEPE-ZDUSSCGKSA-N 1 2 363.874 3.831 50 0 FHAALO Cc1cc(-c2nn(C)c(Cl)c2C[N@H+]2CCC[C@H]2c2nccs2)no1 ZINC000097632114 222199901 /nfs/dbraw/zinc/19/99/01/222199901.db2.gz ZCBGNIXOGFMEPE-ZDUSSCGKSA-N 1 2 363.874 3.831 50 0 FHAALO O=C(c1ccccc1-c1[nH]cc[nH+]1)N1CCC([C@@H](O)c2cccs2)CC1 ZINC000097742863 222208977 /nfs/dbraw/zinc/20/89/77/222208977.db2.gz GLPGOAAYZQNIGP-GOSISDBHSA-N 1 2 367.474 3.724 50 0 FHAALO Cc1ccc(NC(=O)CN2CC[NH+](C/C=C\c3ccccc3)CC2)c(C)c1 ZINC000103335017 222333550 /nfs/dbraw/zinc/33/35/50/222333550.db2.gz SEPBYDZMXSBFEH-TWGQIWQCSA-N 1 2 363.505 3.573 50 0 FHAALO Cc1c(C)n(C2CCCCC2)c2ncn(CCCn3cc[nH+]c3)c(=N)c12 ZINC000101472825 222277012 /nfs/dbraw/zinc/27/70/12/222277012.db2.gz MPJHPEMLTIDWSX-UHFFFAOYSA-N 1 2 352.486 3.726 50 0 FHAALO CCCOc1ccc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000019922554 520337572 /nfs/dbraw/zinc/33/75/72/520337572.db2.gz VSEBCSJHPKPNOT-UHFFFAOYSA-N 1 2 354.450 3.560 50 0 FHAALO C[N@H+](CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)C(c1ccccc1)c1ccccc1 ZINC000252444525 523008652 /nfs/dbraw/zinc/00/86/52/523008652.db2.gz STGZTOKYIHBLQL-WOJBJXKFSA-N 1 2 360.457 3.617 50 0 FHAALO C[N@@H+](CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)C(c1ccccc1)c1ccccc1 ZINC000252444525 523008660 /nfs/dbraw/zinc/00/86/60/523008660.db2.gz STGZTOKYIHBLQL-WOJBJXKFSA-N 1 2 360.457 3.617 50 0 FHAALO C[C@H]1CN(c2ccc(CNc3ccc4ccc(F)cc4n3)c[nH+]2)CCO1 ZINC000078903782 524667536 /nfs/dbraw/zinc/66/75/36/524667536.db2.gz PAJVEPQEQRVOGS-AWEZNQCLSA-N 1 2 352.413 3.606 50 0 FHAALO CSCc1ccc(C(=O)N2CCC[C@H](c3[nH+]ccn3CC3CC3)C2)o1 ZINC000082114524 525724482 /nfs/dbraw/zinc/72/44/82/525724482.db2.gz NDYSYJMQWCHODZ-HNNXBMFYSA-N 1 2 359.495 3.769 50 0 FHAALO C[C@@H](OCc1ccccc1)C(=O)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000089905210 525911179 /nfs/dbraw/zinc/91/11/79/525911179.db2.gz NTJAZVFPBFBYCS-QZTJIDSGSA-N 1 2 370.468 3.636 50 0 FHAALO C[C@H](Oc1ccccc1C(F)(F)F)C(=O)OCc1cccc2[nH+]ccn21 ZINC000089598277 525960487 /nfs/dbraw/zinc/96/04/87/525960487.db2.gz UDKPMQAADDWZKR-LBPRGKRZSA-N 1 2 364.323 3.864 50 0 FHAALO Cc1ccc(C(=O)N2CCC[C@H](c3[nH+]ccn3Cc3ccccn3)C2)s1 ZINC000091663801 526104583 /nfs/dbraw/zinc/10/45/83/526104583.db2.gz WMTMWDANTWRPLE-INIZCTEOSA-N 1 2 366.490 3.716 50 0 FHAALO O=C(NCc1ccc(F)cc1)N1CCC[C@H](c2[nH+]ccn2CC2CC2)C1 ZINC000082121787 526670427 /nfs/dbraw/zinc/67/04/27/526670427.db2.gz ZKAKUZFNJACBOM-KRWDZBQOSA-N 1 2 356.445 3.521 50 0 FHAALO O=C(CSCC1CC1)N1CCC[C@@H](c2[nH+]ccn2Cc2ccccc2)C1 ZINC000082155765 527017467 /nfs/dbraw/zinc/01/74/67/527017467.db2.gz RHMCPVHCZKLMCJ-LJQANCHMSA-N 1 2 369.534 3.781 50 0 FHAALO O=C(NC1CCCCC1)N1CCC(c2[nH+]ccn2Cc2ccccn2)CC1 ZINC000091650521 527512426 /nfs/dbraw/zinc/51/24/26/527512426.db2.gz WBJVLUMFGZKQGL-UHFFFAOYSA-N 1 2 367.497 3.548 50 0 FHAALO CCCCc1ccc(NC(=O)C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000052537732 535091019 /nfs/dbraw/zinc/09/10/19/535091019.db2.gz FHZZTIKUDLEHJN-UHFFFAOYSA-N 1 2 351.494 3.790 50 0 FHAALO CCc1ccc(-c2noc(C[NH+]3CCN(c4ccccc4C)CC3)n2)cc1 ZINC000032739747 536160481 /nfs/dbraw/zinc/16/04/81/536160481.db2.gz QAJSYWLIXYQHTN-UHFFFAOYSA-N 1 2 362.477 3.930 50 0 FHAALO O[C@H](c1ccccn1)C1CC[NH+](Cc2c(Cl)cncc2Cl)CC1 ZINC000215410528 568068824 /nfs/dbraw/zinc/06/88/24/568068824.db2.gz WZXQUFGPMFDLKQ-KRWDZBQOSA-N 1 2 352.265 3.729 50 0 FHAALO COc1cc(Cl)cc2cc(C(=O)N3CCC[C@H](c4[nH+]ccn4C)C3)oc21 ZINC000216039587 568102229 /nfs/dbraw/zinc/10/22/29/568102229.db2.gz DMVBEFDLZUJSTH-LBPRGKRZSA-N 1 2 373.840 3.848 50 0 FHAALO COc1cc(F)c(C[N@H+](C)Cc2cc(-c3cccnc3)no2)cc1OC ZINC000216449564 568123838 /nfs/dbraw/zinc/12/38/38/568123838.db2.gz NHFBVCOOAAVROV-UHFFFAOYSA-N 1 2 357.385 3.525 50 0 FHAALO COc1cc(F)c(C[N@@H+](C)Cc2cc(-c3cccnc3)no2)cc1OC ZINC000216449564 568123839 /nfs/dbraw/zinc/12/38/39/568123839.db2.gz NHFBVCOOAAVROV-UHFFFAOYSA-N 1 2 357.385 3.525 50 0 FHAALO Cc1csc2nc(C[N@H+](Cc3ccco3)Cc3cccs3)cc(=O)n12 ZINC000008266854 568285372 /nfs/dbraw/zinc/28/53/72/568285372.db2.gz KJUHKHZIWFBUPX-UHFFFAOYSA-N 1 2 371.487 3.921 50 0 FHAALO Cc1csc2nc(C[N@@H+](Cc3ccco3)Cc3cccs3)cc(=O)n12 ZINC000008266854 568285373 /nfs/dbraw/zinc/28/53/73/568285373.db2.gz KJUHKHZIWFBUPX-UHFFFAOYSA-N 1 2 371.487 3.921 50 0 FHAALO Cn1cc[nH+]c1CN(C(=O)C[C@H](Cc1ccccc1)c1ccco1)C1CC1 ZINC000223074180 568606004 /nfs/dbraw/zinc/60/60/04/568606004.db2.gz KRUHDMYUXQUBII-SFHVURJKSA-N 1 2 363.461 3.921 50 0 FHAALO CCn1cc[nH+]c1C1CCN(C(=O)CCSCc2ccccc2)CC1 ZINC000091757069 570438085 /nfs/dbraw/zinc/43/80/85/570438085.db2.gz BQBZXWZUSIUQAR-UHFFFAOYSA-N 1 2 357.523 3.933 50 0 FHAALO Cc1cc(C)cc(C(=O)N2CCC[C@@H](c3[nH+]ccn3Cc3ccncc3)C2)c1 ZINC000091829537 570440130 /nfs/dbraw/zinc/44/01/30/570440130.db2.gz MOSMFBQDQPXWDD-HXUWFJFHSA-N 1 2 374.488 3.963 50 0 FHAALO Cn1cc[nH+]c1C1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000092062094 570446555 /nfs/dbraw/zinc/44/65/55/570446555.db2.gz NALYCXJXSOYLJG-UHFFFAOYSA-N 1 2 352.360 3.850 50 0 FHAALO O=C(c1ccccc1F)N1CCC[C@@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095358488 570453435 /nfs/dbraw/zinc/45/34/35/570453435.db2.gz CVPIEEXQKQYUQS-CQSZACIVSA-N 1 2 370.453 3.547 50 0 FHAALO CSc1ncccc1C(=O)N1CCC[C@H](c2[nH+]ccn2CC2CCC2)C1 ZINC000095364048 570455028 /nfs/dbraw/zinc/45/50/28/570455028.db2.gz OKJBQCIYDJDNRE-INIZCTEOSA-N 1 2 370.522 3.820 50 0 FHAALO O=C(c1cccs1)N1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095366434 570455334 /nfs/dbraw/zinc/45/53/34/570455334.db2.gz VXUVZTFFZLOZJV-GDIGMMSISA-N 1 2 374.456 3.729 50 0 FHAALO CCCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)COCc2ccccc2)C1 ZINC000095378265 570458001 /nfs/dbraw/zinc/45/80/01/570458001.db2.gz FJMAZDSGRBVCQS-LJQANCHMSA-N 1 2 355.482 3.606 50 0 FHAALO CC(C)n1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccccc2-c2ncc[nH]2)C1 ZINC000095497691 570462322 /nfs/dbraw/zinc/46/23/22/570462322.db2.gz RMPYMAQPXXXSJC-MRXNPFEDSA-N 1 2 363.465 3.874 50 0 FHAALO CC[C@@H](Sc1nc2ccccc2o1)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000095511433 570465803 /nfs/dbraw/zinc/46/58/03/570465803.db2.gz URUPHLJSYXYRPH-MRXNPFEDSA-N 1 2 370.478 3.828 50 0 FHAALO Cc1cccc(C(=O)N2CCC(c3[nH+]ccn3Cc3ccccc3)CC2)n1 ZINC000095526828 570468885 /nfs/dbraw/zinc/46/88/85/570468885.db2.gz QYIHYFAFFQPHSN-UHFFFAOYSA-N 1 2 360.461 3.655 50 0 FHAALO O=C(NCc1ccccc1F)N1CCC[C@H](c2[nH+]ccn2CC2CCC2)C1 ZINC000095529162 570469331 /nfs/dbraw/zinc/46/93/31/570469331.db2.gz YKKIQKQLSHNMAZ-SFHVURJKSA-N 1 2 370.472 3.912 50 0 FHAALO COc1cccc(-c2nc(CSc3[nH+]cnc4c3cnn4C)cs2)c1 ZINC000011682553 570541463 /nfs/dbraw/zinc/54/14/63/570541463.db2.gz DCKZNPATTUSEOK-UHFFFAOYSA-N 1 2 369.475 3.788 50 0 FHAALO Oc1c([C@H](c2ccccc2)[NH+]2CCCC2)sc2nc(-c3ccco3)nn12 ZINC000023666841 570543091 /nfs/dbraw/zinc/54/30/91/570543091.db2.gz OYGQMGFDJXZFHQ-HNNXBMFYSA-N 1 2 366.446 3.942 50 0 FHAALO O=C(CN1CCCCCCC1=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000050488030 570547124 /nfs/dbraw/zinc/54/71/24/570547124.db2.gz GAYNCEZPOZUYAC-UHFFFAOYSA-N 1 2 353.422 3.605 50 0 FHAALO 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ZINC000584892880 571314905 /nfs/dbraw/zinc/31/49/05/571314905.db2.gz OSMIXIJXQXBLSJ-OAQYLSRUSA-N 1 2 367.493 3.898 50 0 FHAALO O=C([C@@H](c1ccccc1)C1CCCC1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000584892848 571314949 /nfs/dbraw/zinc/31/49/49/571314949.db2.gz JRAYPJBPBPZFRP-QFIPXVFZSA-N 1 2 363.505 3.700 50 0 FHAALO Cc1cccc(CN(C[C@@H]2CCCO2)C(=O)NCc2c[nH+]c(C)cc2C)c1 ZINC000584892879 571314971 /nfs/dbraw/zinc/31/49/71/571314971.db2.gz OSMIXIJXQXBLSJ-NRFANRHFSA-N 1 2 367.493 3.898 50 0 FHAALO O=C(Nc1ccc(-n2cccn2)c(Cl)c1)N[C@H]1CCC[C@@H]1n1cc[nH+]c1 ZINC000079019651 571326618 /nfs/dbraw/zinc/32/66/18/571326618.db2.gz CUIOBYDOEYRVNI-RDJZCZTQSA-N 1 2 370.844 3.638 50 0 FHAALO C[C@@]1(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)CCCc2ccccc21 ZINC000154795548 571326623 /nfs/dbraw/zinc/32/66/23/571326623.db2.gz RVAAAFPDFLGXSE-HSZRJFAPSA-N 1 2 364.489 3.752 50 0 FHAALO CCn1c2cccc(F)c2nc1C[N@@H+]1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000095402231 571329306 /nfs/dbraw/zinc/32/93/06/571329306.db2.gz IPKQXMWUQGDUIZ-CQSZACIVSA-N 1 2 369.444 3.835 50 0 FHAALO CCn1c2cccc(F)c2nc1C[N@H+]1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000095402231 571329307 /nfs/dbraw/zinc/32/93/07/571329307.db2.gz IPKQXMWUQGDUIZ-CQSZACIVSA-N 1 2 369.444 3.835 50 0 FHAALO CC(C)c1sc(Cl)nc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000095474584 571330831 /nfs/dbraw/zinc/33/08/31/571330831.db2.gz XHNJBOLYSYEZSL-UHFFFAOYSA-N 1 2 363.914 3.878 50 0 FHAALO COc1ccc2c(c1)nc(C)cc2C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000670445194 571350572 /nfs/dbraw/zinc/35/05/72/571350572.db2.gz IIGXWOIMJVFCFL-LJQANCHMSA-N 1 2 366.465 3.593 50 0 FHAALO CC(C)c1cc(C(=O)N2CCN(c3cccc[nH+]3)CC2)c2ccccc2n1 ZINC000031811770 571353853 /nfs/dbraw/zinc/35/38/53/571353853.db2.gz KXDCOPAHBVUZEB-UHFFFAOYSA-N 1 2 360.461 3.716 50 0 FHAALO O=C(C1CCC1)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000032001090 571354889 /nfs/dbraw/zinc/35/48/89/571354889.db2.gz ZFDLZNBHELFMDX-UHFFFAOYSA-N 1 2 358.482 3.999 50 0 FHAALO Cc1[nH+]c2ccccc2n1CCNC(=O)COc1ccc(C(C)C)c(C)c1 ZINC000008173164 571359682 /nfs/dbraw/zinc/35/96/82/571359682.db2.gz PQXQLWMKKVNTGE-UHFFFAOYSA-N 1 2 365.477 3.972 50 0 FHAALO CC[N@H+](Cc1ccc(OC)c(F)c1)[C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000008214204 571359880 /nfs/dbraw/zinc/35/98/80/571359880.db2.gz XMJSHMHYQBNGQK-AWEZNQCLSA-N 1 2 372.440 3.886 50 0 FHAALO CC[N@@H+](Cc1ccc(OC)c(F)c1)[C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000008214204 571359881 /nfs/dbraw/zinc/35/98/81/571359881.db2.gz XMJSHMHYQBNGQK-AWEZNQCLSA-N 1 2 372.440 3.886 50 0 FHAALO CC[N@H+](Cc1ccc(OC)c(F)c1)[C@H](C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000008214211 571359916 /nfs/dbraw/zinc/35/99/16/571359916.db2.gz TXOXQKBGBSAXJC-CQSZACIVSA-N 1 2 372.440 3.886 50 0 FHAALO CC[N@@H+](Cc1ccc(OC)c(F)c1)[C@H](C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000008214211 571359917 /nfs/dbraw/zinc/35/99/17/571359917.db2.gz TXOXQKBGBSAXJC-CQSZACIVSA-N 1 2 372.440 3.886 50 0 FHAALO COc1ccc(OC)c([C@@H](C)[NH2+]Cc2c(OC)cc(OC)cc2OC)c1 ZINC000008268268 571360161 /nfs/dbraw/zinc/36/01/61/571360161.db2.gz FYEGAWDEURNYTC-CYBMUJFWSA-N 1 2 361.438 3.580 50 0 FHAALO