smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cccn3Cc3cccs3)C2)CC1 ZINC000093132694 250018627 /nfs/dbraw/zinc/01/86/27/250018627.db2.gz HAHFNZNQEZWDEE-LJQANCHMSA-N 2 2 358.555 2.810 10 0 FFAELP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cccn3Cc3cccs3)C2)CC1 ZINC000093132694 250018632 /nfs/dbraw/zinc/01/86/32/250018632.db2.gz HAHFNZNQEZWDEE-LJQANCHMSA-N 2 2 358.555 2.810 10 0 FFAELP Cc1cccc(C)c1-n1nnnc1C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000103473544 250153655 /nfs/dbraw/zinc/15/36/55/250153655.db2.gz KWMPHBHCOSUNOP-QGZVFWFLSA-N 2 2 363.469 2.608 10 0 FFAELP Cc1cccc(C)c1-n1nnnc1C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000103473544 250153659 /nfs/dbraw/zinc/15/36/59/250153659.db2.gz KWMPHBHCOSUNOP-QGZVFWFLSA-N 2 2 363.469 2.608 10 0 FFAELP CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000153145743 251106987 /nfs/dbraw/zinc/10/69/87/251106987.db2.gz HMVBOYXYVIDAQD-QZTJIDSGSA-N 2 2 369.465 2.548 10 0 FFAELP CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000153145743 251106992 /nfs/dbraw/zinc/10/69/92/251106992.db2.gz HMVBOYXYVIDAQD-QZTJIDSGSA-N 2 2 369.465 2.548 10 0 FFAELP OC[C@H]1CCCN1c1cc(N[C@H]2CCC[N@@H+](C3CCCCC3)C2)nc[nH+]1 ZINC000301195457 258033547 /nfs/dbraw/zinc/03/35/47/258033547.db2.gz JZARWECDFUBMEX-FUHWJXTLSA-N 2 2 359.518 2.647 10 0 FFAELP OC[C@H]1CCCN1c1cc(N[C@H]2CCC[N@H+](C3CCCCC3)C2)nc[nH+]1 ZINC000301195457 258033548 /nfs/dbraw/zinc/03/35/48/258033548.db2.gz JZARWECDFUBMEX-FUHWJXTLSA-N 2 2 359.518 2.647 10 0 FFAELP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000106908113 507827938 /nfs/dbraw/zinc/82/79/38/507827938.db2.gz MRAYVMUOQLUKQN-HXUWFJFHSA-N 2 2 366.509 2.861 10 0 FFAELP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC(=O)NCc2ccc(Cl)s2)C1 ZINC000090003364 507899204 /nfs/dbraw/zinc/89/92/04/507899204.db2.gz GYWMDNYWAOQHIM-CYBMUJFWSA-N 2 2 366.918 2.706 10 0 FFAELP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(Cl)s2)C1 ZINC000090003364 507899206 /nfs/dbraw/zinc/89/92/06/507899206.db2.gz GYWMDNYWAOQHIM-CYBMUJFWSA-N 2 2 366.918 2.706 10 0 FFAELP C[C@H](NC(=O)N(C)C[C@H]1CCC[N@H+](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000074875940 508066757 /nfs/dbraw/zinc/06/67/57/508066757.db2.gz BOTAPRAUYRJYLL-IRXDYDNUSA-N 2 2 355.486 2.917 10 0 FFAELP C[C@H](NC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000074875940 508066761 /nfs/dbraw/zinc/06/67/61/508066761.db2.gz BOTAPRAUYRJYLL-IRXDYDNUSA-N 2 2 355.486 2.917 10 0 FFAELP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000083710905 508252982 /nfs/dbraw/zinc/25/29/82/508252982.db2.gz CFLXUCWEZYRHSQ-IBGZPJMESA-N 2 2 371.529 2.901 10 0 FFAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000122221117 508501843 /nfs/dbraw/zinc/50/18/43/508501843.db2.gz XCZAGGMVLAFGAC-GJYPPUQNSA-N 2 2 355.486 2.961 10 0 FFAELP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000122221117 508501845 /nfs/dbraw/zinc/50/18/45/508501845.db2.gz XCZAGGMVLAFGAC-GJYPPUQNSA-N 2 2 355.486 2.961 10 0 FFAELP COc1cc([C@@H](C)[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)ccc1F ZINC000152856183 508524480 /nfs/dbraw/zinc/52/44/80/508524480.db2.gz DYDVCPALGVFWOQ-BEFAXECRSA-N 2 2 358.457 2.904 10 0 FFAELP COc1cc([C@@H](C)[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)ccc1F ZINC000152856183 508524483 /nfs/dbraw/zinc/52/44/83/508524483.db2.gz DYDVCPALGVFWOQ-BEFAXECRSA-N 2 2 358.457 2.904 10 0 FFAELP CCN(CC)c1ccc(CNC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c[nH+]1 ZINC000153244083 508562775 /nfs/dbraw/zinc/56/27/75/508562775.db2.gz GDQSMRUHNKKLNN-GOSISDBHSA-N 2 2 361.534 2.847 10 0 FFAELP CCN(CC)c1ccc(CNC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)c[nH+]1 ZINC000153244083 508562776 /nfs/dbraw/zinc/56/27/76/508562776.db2.gz GDQSMRUHNKKLNN-GOSISDBHSA-N 2 2 361.534 2.847 10 0 FFAELP CC(C)OCC[NH+]1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000158053041 508650620 /nfs/dbraw/zinc/65/06/20/508650620.db2.gz OVWUKTVACLXKKU-KNQAVFIVSA-N 3 2 374.573 2.771 10 0 FFAELP CC(C)OCC[NH+]1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000158053041 508650621 /nfs/dbraw/zinc/65/06/21/508650621.db2.gz OVWUKTVACLXKKU-KNQAVFIVSA-N 3 2 374.573 2.771 10 0 FFAELP C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000136064754 508667918 /nfs/dbraw/zinc/66/79/18/508667918.db2.gz AQQACVNCFGPNMQ-MJGOQNOKSA-N 2 2 369.513 2.900 10 0 FFAELP C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000136064754 508667922 /nfs/dbraw/zinc/66/79/22/508667922.db2.gz AQQACVNCFGPNMQ-MJGOQNOKSA-N 2 2 369.513 2.900 10 0 FFAELP C[NH+]1CCN([C@H]2CCCC[N@H+](Cc3cn4cc(Cl)ccc4n3)C2)CC1 ZINC000136072457 508668424 /nfs/dbraw/zinc/66/84/24/508668424.db2.gz YJLXYAWNXFUYLR-SFHVURJKSA-N 2 2 361.921 2.590 10 0 FFAELP C[NH+]1CCN([C@H]2CCCC[N@@H+](Cc3cn4cc(Cl)ccc4n3)C2)CC1 ZINC000136072457 508668426 /nfs/dbraw/zinc/66/84/26/508668426.db2.gz YJLXYAWNXFUYLR-SFHVURJKSA-N 2 2 361.921 2.590 10 0 FFAELP C[N@@H+]1CCC[C@@H]2CN(C(=O)/C=C/c3ccc(-n4cc[nH+]c4)cc3)CC[C@@H]21 ZINC000154144860 508725153 /nfs/dbraw/zinc/72/51/53/508725153.db2.gz JGAYAVXMFOWHFK-NVLKRUCJSA-N 2 2 350.466 2.828 10 0 FFAELP C[N@H+]1CCC[C@@H]2CN(C(=O)/C=C/c3ccc(-n4cc[nH+]c4)cc3)CC[C@@H]21 ZINC000154144860 508725157 /nfs/dbraw/zinc/72/51/57/508725157.db2.gz JGAYAVXMFOWHFK-NVLKRUCJSA-N 2 2 350.466 2.828 10 0 FFAELP O=C(Nc1ccccc1OCCn1cc[nH+]c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000159200561 508807427 /nfs/dbraw/zinc/80/74/27/508807427.db2.gz PRWZSOFMMCTHCV-QGZVFWFLSA-N 2 2 369.469 2.664 10 0 FFAELP O=C(Nc1ccccc1OCCn1cc[nH+]c1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000159200561 508807429 /nfs/dbraw/zinc/80/74/29/508807429.db2.gz PRWZSOFMMCTHCV-QGZVFWFLSA-N 2 2 369.469 2.664 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@H](O)COCc2ccccc2F)C1 ZINC000155226054 508952377 /nfs/dbraw/zinc/95/23/77/508952377.db2.gz XYSHBLFMWCSPOM-MSOLQXFVSA-N 2 2 361.461 2.799 10 0 FFAELP CC(C)[N@H+]1C[C@H]([NH2+][C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)[C@@H](C)C1 ZINC000125277773 508958964 /nfs/dbraw/zinc/95/89/64/508958964.db2.gz KTCVUYJIHGTXPJ-BXWFABGCSA-N 2 2 365.543 2.606 10 0 FFAELP CC(C)[N@@H+]1C[C@H]([NH2+][C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)[C@@H](C)C1 ZINC000125277773 508958969 /nfs/dbraw/zinc/95/89/69/508958969.db2.gz KTCVUYJIHGTXPJ-BXWFABGCSA-N 2 2 365.543 2.606 10 0 FFAELP COc1cc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)ccc1OC(F)F ZINC000151270861 508990277 /nfs/dbraw/zinc/99/02/77/508990277.db2.gz YWCKXQMBOJYGSU-HIFRSBDPSA-N 2 2 358.429 2.794 10 0 FFAELP CCCOc1cccc(CNC(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000247990347 509211853 /nfs/dbraw/zinc/21/18/53/509211853.db2.gz JHRGFCAQKNEKDB-AZUAARDMSA-N 2 2 359.514 2.508 10 0 FFAELP CCCOc1cccc(CNC(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000247990347 509211860 /nfs/dbraw/zinc/21/18/60/509211860.db2.gz JHRGFCAQKNEKDB-AZUAARDMSA-N 2 2 359.514 2.508 10 0 FFAELP CCCOc1cccc(CNC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000247990347 509211867 /nfs/dbraw/zinc/21/18/67/509211867.db2.gz JHRGFCAQKNEKDB-AZUAARDMSA-N 2 2 359.514 2.508 10 0 FFAELP CCCOc1cccc(CNC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000247990347 509211874 /nfs/dbraw/zinc/21/18/74/509211874.db2.gz JHRGFCAQKNEKDB-AZUAARDMSA-N 2 2 359.514 2.508 10 0 FFAELP Cc1cc(C)n(C[C@@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3C)CCO2)n1 ZINC000192008279 509292564 /nfs/dbraw/zinc/29/25/64/509292564.db2.gz QUJBLTITCFMURN-NRFANRHFSA-N 2 2 365.481 2.895 10 0 FFAELP Cc1cc(C)n(C[C@@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3C)CCO2)n1 ZINC000192008279 509292571 /nfs/dbraw/zinc/29/25/71/509292571.db2.gz QUJBLTITCFMURN-NRFANRHFSA-N 2 2 365.481 2.895 10 0 FFAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)NCCC(C)C)C1 ZINC000248637295 509406830 /nfs/dbraw/zinc/40/68/30/509406830.db2.gz ACRJLCRDEWBWNR-IAGOWNOFSA-N 2 2 366.575 2.756 10 0 FFAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)NCCC(C)C)C1 ZINC000248637295 509406834 /nfs/dbraw/zinc/40/68/34/509406834.db2.gz ACRJLCRDEWBWNR-IAGOWNOFSA-N 2 2 366.575 2.756 10 0 FFAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)NCCC(C)C)C1 ZINC000248637295 509406836 /nfs/dbraw/zinc/40/68/36/509406836.db2.gz ACRJLCRDEWBWNR-IAGOWNOFSA-N 2 2 366.575 2.756 10 0 FFAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)NCCC(C)C)C1 ZINC000248637295 509406840 /nfs/dbraw/zinc/40/68/40/509406840.db2.gz ACRJLCRDEWBWNR-IAGOWNOFSA-N 2 2 366.575 2.756 10 0 FFAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](CCO[C@H]2CCCCO2)C1 ZINC000248644401 509410848 /nfs/dbraw/zinc/41/08/48/509410848.db2.gz FIIIWFSYUBKNBT-WMZOPIPTSA-N 2 2 353.532 2.748 10 0 FFAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](CCO[C@H]2CCCCO2)C1 ZINC000248644401 509410855 /nfs/dbraw/zinc/41/08/55/509410855.db2.gz FIIIWFSYUBKNBT-WMZOPIPTSA-N 2 2 353.532 2.748 10 0 FFAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](CCO[C@H]2CCCCO2)C1 ZINC000248644401 509410865 /nfs/dbraw/zinc/41/08/65/509410865.db2.gz FIIIWFSYUBKNBT-WMZOPIPTSA-N 2 2 353.532 2.748 10 0 FFAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](CCO[C@H]2CCCCO2)C1 ZINC000248644401 509410868 /nfs/dbraw/zinc/41/08/68/509410868.db2.gz FIIIWFSYUBKNBT-WMZOPIPTSA-N 2 2 353.532 2.748 10 0 FFAELP C[C@H](C(=O)NCc1ccccc1)[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248648025 509416307 /nfs/dbraw/zinc/41/63/07/509416307.db2.gz JDNKLLJKQLQBGX-NQIIRXRSSA-N 2 2 366.509 2.540 10 0 FFAELP C[C@H](C(=O)NCc1ccccc1)[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248648025 509416317 /nfs/dbraw/zinc/41/63/17/509416317.db2.gz JDNKLLJKQLQBGX-NQIIRXRSSA-N 2 2 366.509 2.540 10 0 FFAELP C[C@H](C(=O)NCc1ccccc1)[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248648025 509416322 /nfs/dbraw/zinc/41/63/22/509416322.db2.gz JDNKLLJKQLQBGX-NQIIRXRSSA-N 2 2 366.509 2.540 10 0 FFAELP C[C@H](C(=O)NCc1ccccc1)[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248648025 509416331 /nfs/dbraw/zinc/41/63/31/509416331.db2.gz JDNKLLJKQLQBGX-NQIIRXRSSA-N 2 2 366.509 2.540 10 0 FFAELP C[C@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(S(N)(=O)=O)cc1 ZINC000248915156 509544224 /nfs/dbraw/zinc/54/42/24/509544224.db2.gz VXXHVYVPWVMNNN-TWOQFEAHSA-N 2 2 373.522 2.505 10 0 FFAELP C[C@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(S(N)(=O)=O)cc1 ZINC000248915156 509544233 /nfs/dbraw/zinc/54/42/33/509544233.db2.gz VXXHVYVPWVMNNN-TWOQFEAHSA-N 2 2 373.522 2.505 10 0 FFAELP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1CCC2(CC1)OCCO2 ZINC000249111400 509608638 /nfs/dbraw/zinc/60/86/38/509608638.db2.gz VWEALORBHWHBKC-FXAWDEMLSA-N 2 2 359.514 2.815 10 0 FFAELP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1CCC2(CC1)OCCO2 ZINC000249111400 509608642 /nfs/dbraw/zinc/60/86/42/509608642.db2.gz VWEALORBHWHBKC-FXAWDEMLSA-N 2 2 359.514 2.815 10 0 FFAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)nc[nH+]1 ZINC000180572167 509991260 /nfs/dbraw/zinc/99/12/60/509991260.db2.gz ZHASTIBBQXHBMG-HOCLYGCPSA-N 2 2 369.469 2.609 10 0 FFAELP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000177385716 510029527 /nfs/dbraw/zinc/02/95/27/510029527.db2.gz FPBYVCJJBLVODR-QGZVFWFLSA-N 2 2 357.502 2.861 10 0 FFAELP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000177385716 510029536 /nfs/dbraw/zinc/02/95/36/510029536.db2.gz FPBYVCJJBLVODR-QGZVFWFLSA-N 2 2 357.502 2.861 10 0 FFAELP Cc1cc(C)n2c(C[NH+]3CC[C@@H](C[N@@H+](C)Cc4cccnc4)C3)cnc2n1 ZINC000190489841 510161626 /nfs/dbraw/zinc/16/16/26/510161626.db2.gz LAIKPIVBNAMIRT-IBGZPJMESA-N 2 2 364.497 2.695 10 0 FFAELP Cc1cc(C)n2c(C[NH+]3CC[C@@H](C[N@H+](C)Cc4cccnc4)C3)cnc2n1 ZINC000190489841 510161628 /nfs/dbraw/zinc/16/16/28/510161628.db2.gz LAIKPIVBNAMIRT-IBGZPJMESA-N 2 2 364.497 2.695 10 0 FFAELP Cc1cc(C)n2c(C[N@H+]3CC[C@@H](C[NH+](C)Cc4cccnc4)C3)cnc2n1 ZINC000190489841 510161631 /nfs/dbraw/zinc/16/16/31/510161631.db2.gz LAIKPIVBNAMIRT-IBGZPJMESA-N 2 2 364.497 2.695 10 0 FFAELP Cc1cc(C)n2c(C[N@@H+]3CC[C@@H](C[NH+](C)Cc4cccnc4)C3)cnc2n1 ZINC000190489841 510161633 /nfs/dbraw/zinc/16/16/33/510161633.db2.gz LAIKPIVBNAMIRT-IBGZPJMESA-N 2 2 364.497 2.695 10 0 FFAELP C[C@@H](CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C)[N@@H+]1CCc2sccc2C1 ZINC000171608364 510249796 /nfs/dbraw/zinc/24/97/96/510249796.db2.gz VFGDTIPPTGWMKU-LPHOPBHVSA-N 2 2 371.550 2.784 10 0 FFAELP C[C@@H](CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C)[N@H+]1CCc2sccc2C1 ZINC000171608364 510249801 /nfs/dbraw/zinc/24/98/01/510249801.db2.gz VFGDTIPPTGWMKU-LPHOPBHVSA-N 2 2 371.550 2.784 10 0 FFAELP CCCC[C@@H](C(=O)OC)[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195268133 510749279 /nfs/dbraw/zinc/74/92/79/510749279.db2.gz UBTALRBPACKGGI-CVEARBPZSA-N 2 2 353.532 2.937 10 0 FFAELP CCCC[C@@H](C(=O)OC)[N@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195268133 510749281 /nfs/dbraw/zinc/74/92/81/510749281.db2.gz UBTALRBPACKGGI-CVEARBPZSA-N 2 2 353.532 2.937 10 0 FFAELP CCCC[C@@H](C(=O)OC)[NH+]1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195268133 510749283 /nfs/dbraw/zinc/74/92/83/510749283.db2.gz UBTALRBPACKGGI-CVEARBPZSA-N 2 2 353.532 2.937 10 0 FFAELP CCCC[C@@H](C(=O)OC)[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195268133 510749285 /nfs/dbraw/zinc/74/92/85/510749285.db2.gz UBTALRBPACKGGI-CVEARBPZSA-N 2 2 353.532 2.937 10 0 FFAELP CCN(C(=O)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1)c1ccccc1 ZINC000195277549 510755515 /nfs/dbraw/zinc/75/55/15/510755515.db2.gz FUXLRHBSFPMRGS-FQEVSTJZSA-N 2 2 366.509 2.888 10 0 FFAELP CCN(C(=O)C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1)c1ccccc1 ZINC000195277549 510755526 /nfs/dbraw/zinc/75/55/26/510755526.db2.gz FUXLRHBSFPMRGS-FQEVSTJZSA-N 2 2 366.509 2.888 10 0 FFAELP CCN(C(=O)C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1)c1ccccc1 ZINC000195277549 510755533 /nfs/dbraw/zinc/75/55/33/510755533.db2.gz FUXLRHBSFPMRGS-FQEVSTJZSA-N 2 2 366.509 2.888 10 0 FFAELP CCN(C(=O)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1)c1ccccc1 ZINC000195277549 510755542 /nfs/dbraw/zinc/75/55/42/510755542.db2.gz FUXLRHBSFPMRGS-FQEVSTJZSA-N 2 2 366.509 2.888 10 0 FFAELP COc1ccccc1OCC[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195280780 510757944 /nfs/dbraw/zinc/75/79/44/510757944.db2.gz QMLAALSNXWEGLT-IBGZPJMESA-N 2 2 355.482 2.923 10 0 FFAELP COc1ccccc1OCC[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195280780 510757951 /nfs/dbraw/zinc/75/79/51/510757951.db2.gz QMLAALSNXWEGLT-IBGZPJMESA-N 2 2 355.482 2.923 10 0 FFAELP COc1ccccc1OCC[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195280780 510757955 /nfs/dbraw/zinc/75/79/55/510757955.db2.gz QMLAALSNXWEGLT-IBGZPJMESA-N 2 2 355.482 2.923 10 0 FFAELP COc1ccccc1OCC[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195280780 510757960 /nfs/dbraw/zinc/75/79/60/510757960.db2.gz QMLAALSNXWEGLT-IBGZPJMESA-N 2 2 355.482 2.923 10 0 FFAELP C[C@@H](C(=O)NCc1ccccc1)[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195285843 510761322 /nfs/dbraw/zinc/76/13/22/510761322.db2.gz JDNKLLJKQLQBGX-GHTZIAJQSA-N 2 2 366.509 2.540 10 0 FFAELP C[C@@H](C(=O)NCc1ccccc1)[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195285843 510761328 /nfs/dbraw/zinc/76/13/28/510761328.db2.gz JDNKLLJKQLQBGX-GHTZIAJQSA-N 2 2 366.509 2.540 10 0 FFAELP C[C@@H](C(=O)NCc1ccccc1)[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195285843 510761333 /nfs/dbraw/zinc/76/13/33/510761333.db2.gz JDNKLLJKQLQBGX-GHTZIAJQSA-N 2 2 366.509 2.540 10 0 FFAELP C[C@@H](C(=O)NCc1ccccc1)[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195285843 510761341 /nfs/dbraw/zinc/76/13/41/510761341.db2.gz JDNKLLJKQLQBGX-GHTZIAJQSA-N 2 2 366.509 2.540 10 0 FFAELP C[C@H]1CCCN(c2cc(N3CCC(Cc4[nH+]ccn4C)CC3)[nH+]cn2)C1 ZINC000178771406 510763522 /nfs/dbraw/zinc/76/35/22/510763522.db2.gz HILXDPXLNLFMGB-INIZCTEOSA-N 2 2 354.502 2.906 10 0 FFAELP C[C@H]1CCCN(c2cc(N3CCC(Cc4[nH+]ccn4C)CC3)nc[nH+]2)C1 ZINC000178771406 510763529 /nfs/dbraw/zinc/76/35/29/510763529.db2.gz HILXDPXLNLFMGB-INIZCTEOSA-N 2 2 354.502 2.906 10 0 FFAELP Cc1cn2c([nH+]1)[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1)CCC2 ZINC000332682091 511090537 /nfs/dbraw/zinc/09/05/37/511090537.db2.gz IWYYXODOMNABSE-IEBWSBKVSA-N 2 2 370.472 2.989 10 0 FFAELP Cc1cn2c([nH+]1)[C@@H](CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1)CCC2 ZINC000332682091 511090541 /nfs/dbraw/zinc/09/05/41/511090541.db2.gz IWYYXODOMNABSE-IEBWSBKVSA-N 2 2 370.472 2.989 10 0 FFAELP O[C@@H](C[NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1)COCc1ccco1 ZINC000379648086 512869994 /nfs/dbraw/zinc/86/99/94/512869994.db2.gz LXSDMCNFHXPLKP-UXHICEINSA-N 2 2 358.482 2.801 10 0 FFAELP O[C@@H](C[NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1)COCc1ccco1 ZINC000379648086 512869999 /nfs/dbraw/zinc/86/99/99/512869999.db2.gz LXSDMCNFHXPLKP-UXHICEINSA-N 2 2 358.482 2.801 10 0 FFAELP C[NH+]1CCN(Nc2[nH+]cnc(Nc3cc(Cl)ccc3Cl)c2N)CC1 ZINC000040756865 205080189 /nfs/dbraw/zinc/08/01/89/205080189.db2.gz HZQRQKYMLQFBOR-UHFFFAOYSA-N 2 2 368.272 2.684 10 0 FFAELP O=C(CC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)N1CCc2sccc2C1 ZINC000103473556 250153970 /nfs/dbraw/zinc/15/39/70/250153970.db2.gz FORWKWMTHANXHW-INIZCTEOSA-N 2 2 370.522 2.852 10 0 FFAELP O=C(CC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)N1CCc2sccc2C1 ZINC000103473556 250153975 /nfs/dbraw/zinc/15/39/75/250153975.db2.gz FORWKWMTHANXHW-INIZCTEOSA-N 2 2 370.522 2.852 10 0 FFAELP CCCc1nc(C[N@H+](C)CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)no1 ZINC000106126912 250240528 /nfs/dbraw/zinc/24/05/28/250240528.db2.gz PJLMGLHQCFTYMT-IBGZPJMESA-N 2 2 372.513 2.900 10 0 FFAELP CCCc1nc(C[N@@H+](C)CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)no1 ZINC000106126912 250240533 /nfs/dbraw/zinc/24/05/33/250240533.db2.gz PJLMGLHQCFTYMT-IBGZPJMESA-N 2 2 372.513 2.900 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)Nc2ccc(OC)c(OC)c2)C1 ZINC000106216464 250255178 /nfs/dbraw/zinc/25/51/78/250255178.db2.gz SYZNLFGKKJEMFT-INIZCTEOSA-N 2 2 372.469 2.738 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(OC)c(OC)c2)C1 ZINC000106216464 250255181 /nfs/dbraw/zinc/25/51/81/250255181.db2.gz SYZNLFGKKJEMFT-INIZCTEOSA-N 2 2 372.469 2.738 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)NCc2ccc(COC)cc2)C1 ZINC000106212622 250256094 /nfs/dbraw/zinc/25/60/94/250256094.db2.gz XPYODVCMABCTSW-IBGZPJMESA-N 2 2 370.497 2.545 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(COC)cc2)C1 ZINC000106212622 250256098 /nfs/dbraw/zinc/25/60/98/250256098.db2.gz XPYODVCMABCTSW-IBGZPJMESA-N 2 2 370.497 2.545 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)Nc2ccc(NC(C)=O)cc2)C1 ZINC000106216333 250256458 /nfs/dbraw/zinc/25/64/58/250256458.db2.gz FGPZXKFTICHJQX-SFHVURJKSA-N 2 2 369.469 2.680 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(NC(C)=O)cc2)C1 ZINC000106216333 250256464 /nfs/dbraw/zinc/25/64/64/250256464.db2.gz FGPZXKFTICHJQX-SFHVURJKSA-N 2 2 369.469 2.680 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)N(C)Cc2ccccc2OC)C1 ZINC000106217533 250260407 /nfs/dbraw/zinc/26/04/07/250260407.db2.gz WLNAALBDBCWYTP-SFHVURJKSA-N 2 2 370.497 2.750 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)N(C)Cc2ccccc2OC)C1 ZINC000106217533 250260410 /nfs/dbraw/zinc/26/04/10/250260410.db2.gz WLNAALBDBCWYTP-SFHVURJKSA-N 2 2 370.497 2.750 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NCCCCn2cc[nH+]c2C)C1 ZINC000175465986 251212191 /nfs/dbraw/zinc/21/21/91/251212191.db2.gz CKFUIYZQKVAMIY-KRWDZBQOSA-N 2 2 358.490 2.777 10 0 FFAELP CCOC(=O)c1c[nH+]c2ccccc2c1NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000301201890 258033538 /nfs/dbraw/zinc/03/35/38/258033538.db2.gz MZPGINYCEVNFKH-HNNXBMFYSA-N 2 2 355.438 2.687 10 0 FFAELP CCOC(=O)c1c[nH+]c2ccccc2c1NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000301201890 258033539 /nfs/dbraw/zinc/03/35/39/258033539.db2.gz MZPGINYCEVNFKH-HNNXBMFYSA-N 2 2 355.438 2.687 10 0 FFAELP OC[C@H]1CCCN(c2cc(N[C@H]3CCC[N@@H+](C4CCCCC4)C3)nc[nH+]2)C1 ZINC000301203068 258033765 /nfs/dbraw/zinc/03/37/65/258033765.db2.gz OBSDXFVUFQUDBQ-ROUUACIJSA-N 2 2 373.545 2.894 10 0 FFAELP OC[C@H]1CCCN(c2cc(N[C@H]3CCC[N@H+](C4CCCCC4)C3)nc[nH+]2)C1 ZINC000301203068 258033767 /nfs/dbraw/zinc/03/37/67/258033767.db2.gz OBSDXFVUFQUDBQ-ROUUACIJSA-N 2 2 373.545 2.894 10 0 FFAELP c1cc(C[NH+]2CCC([NH2+][C@H]3CCCO[C@@H]3c3ccncc3)CC2)ccn1 ZINC000333040882 258246457 /nfs/dbraw/zinc/24/64/57/258246457.db2.gz OLSLYQRISKKOQN-LEWJYISDSA-N 2 2 352.482 2.951 10 0 FFAELP C[NH2+]C/C(=C\Cl)C[NH2+]CCCCCCC[NH2+]C/C(=C/Cl)C[NH2+]C ZINC000013650063 506949940 /nfs/dbraw/zinc/94/99/40/506949940.db2.gz RTHIWOKWLBTZER-OTYYAQKOSA-N 4 2 365.393 2.800 10 0 FFAELP Cc1ccc(N2CCC(NC(=O)NC[C@@H](c3ccco3)[NH+](C)C)CC2)[nH+]c1 ZINC000073442943 507922046 /nfs/dbraw/zinc/92/20/46/507922046.db2.gz RREILQLYRPTVBA-KRWDZBQOSA-N 2 2 371.485 2.554 10 0 FFAELP Cc1[nH+]cc(CN2CCC([N@H+]3CCO[C@@H](C)C3)CC2)n1-c1ccccc1 ZINC000092079382 508041770 /nfs/dbraw/zinc/04/17/70/508041770.db2.gz ZYCRPHOKRRTDHM-KRWDZBQOSA-N 2 2 354.498 2.866 10 0 FFAELP Cc1[nH+]cc(CN2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)n1-c1ccccc1 ZINC000092079382 508041773 /nfs/dbraw/zinc/04/17/73/508041773.db2.gz ZYCRPHOKRRTDHM-KRWDZBQOSA-N 2 2 354.498 2.866 10 0 FFAELP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)[C@@H](C)[N@@H+]1CCc3ccccc3C1)C2 ZINC000112725586 508215851 /nfs/dbraw/zinc/21/58/51/508215851.db2.gz HXTWPGNZZOROGD-MRXNPFEDSA-N 2 2 366.509 2.875 10 0 FFAELP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)[C@@H](C)[N@H+]1CCc3ccccc3C1)C2 ZINC000112725586 508215853 /nfs/dbraw/zinc/21/58/53/508215853.db2.gz HXTWPGNZZOROGD-MRXNPFEDSA-N 2 2 366.509 2.875 10 0 FFAELP O[C@@H](COc1ccccc1Cl)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000151104218 508957400 /nfs/dbraw/zinc/95/74/00/508957400.db2.gz QEYDDEISFRATJJ-HZPDHXFCSA-N 2 2 361.873 2.909 10 0 FFAELP O[C@@H](COc1ccccc1Cl)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000151104218 508957402 /nfs/dbraw/zinc/95/74/02/508957402.db2.gz QEYDDEISFRATJJ-HZPDHXFCSA-N 2 2 361.873 2.909 10 0 FFAELP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000175980056 509253369 /nfs/dbraw/zinc/25/33/69/509253369.db2.gz BVXCJKIMWUXUKV-SFHVURJKSA-N 2 2 364.453 2.751 10 0 FFAELP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000248643866 509410493 /nfs/dbraw/zinc/41/04/93/509410493.db2.gz PJRODPYSMUTAGL-HLAWJBBLSA-N 2 2 373.541 2.657 10 0 FFAELP CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000248643866 509410498 /nfs/dbraw/zinc/41/04/98/509410498.db2.gz PJRODPYSMUTAGL-HLAWJBBLSA-N 2 2 373.541 2.657 10 0 FFAELP CCCC[NH+]1CCOC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000248643866 509410505 /nfs/dbraw/zinc/41/05/05/509410505.db2.gz PJRODPYSMUTAGL-HLAWJBBLSA-N 2 2 373.541 2.657 10 0 FFAELP CCCC[NH+]1CCOC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000248643866 509410512 /nfs/dbraw/zinc/41/05/12/509410512.db2.gz PJRODPYSMUTAGL-HLAWJBBLSA-N 2 2 373.541 2.657 10 0 FFAELP C[C@@H](C(=O)NC1CCC(C)CC1)[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248650310 509417349 /nfs/dbraw/zinc/41/73/49/509417349.db2.gz LZCYYBXPRHEMJN-YWDUDDICSA-N 2 2 372.557 2.919 10 0 FFAELP C[C@@H](C(=O)NC1CCC(C)CC1)[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248650310 509417352 /nfs/dbraw/zinc/41/73/52/509417352.db2.gz LZCYYBXPRHEMJN-YWDUDDICSA-N 2 2 372.557 2.919 10 0 FFAELP C[C@@H](C(=O)NC1CCC(C)CC1)[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248650310 509417357 /nfs/dbraw/zinc/41/73/57/509417357.db2.gz LZCYYBXPRHEMJN-YWDUDDICSA-N 2 2 372.557 2.919 10 0 FFAELP C[C@@H](C(=O)NC1CCC(C)CC1)[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248650310 509417362 /nfs/dbraw/zinc/41/73/62/509417362.db2.gz LZCYYBXPRHEMJN-YWDUDDICSA-N 2 2 372.557 2.919 10 0 FFAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000248905241 509538054 /nfs/dbraw/zinc/53/80/54/509538054.db2.gz UUVPKQXGNACHRH-YLJYHZDGSA-N 2 2 367.497 2.750 10 0 FFAELP C[C@H]1CCC[N@H+](CCCCNC(=O)N2CCCN(c3cccc[nH+]3)CC2)C1 ZINC000186360892 509669714 /nfs/dbraw/zinc/66/97/14/509669714.db2.gz RFJIZQSPOOSDKC-IBGZPJMESA-N 2 2 373.545 2.815 10 0 FFAELP C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CCCN(c3cccc[nH+]3)CC2)C1 ZINC000186360892 509669721 /nfs/dbraw/zinc/66/97/21/509669721.db2.gz RFJIZQSPOOSDKC-IBGZPJMESA-N 2 2 373.545 2.815 10 0 FFAELP CC(C)c1ccc(CN(C(=O)C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C2CC2)cc1 ZINC000193632905 509999349 /nfs/dbraw/zinc/99/93/49/509999349.db2.gz ZZRIUBRMEKTKCF-BGYRXZFFSA-N 2 2 355.526 2.794 10 0 FFAELP CC(C)c1ccc(CN(C(=O)C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C2CC2)cc1 ZINC000193632905 509999359 /nfs/dbraw/zinc/99/93/59/509999359.db2.gz ZZRIUBRMEKTKCF-BGYRXZFFSA-N 2 2 355.526 2.794 10 0 FFAELP CC(C)c1ccc(CN(C(=O)C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)C2CC2)cc1 ZINC000193632905 509999362 /nfs/dbraw/zinc/99/93/62/509999362.db2.gz ZZRIUBRMEKTKCF-BGYRXZFFSA-N 2 2 355.526 2.794 10 0 FFAELP CC(C)c1ccc(CN(C(=O)C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)C2CC2)cc1 ZINC000193632905 509999369 /nfs/dbraw/zinc/99/93/69/509999369.db2.gz ZZRIUBRMEKTKCF-BGYRXZFFSA-N 2 2 355.526 2.794 10 0 FFAELP COc1ccc([C@H]2CCCCCN2C(=O)C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000193647361 510005073 /nfs/dbraw/zinc/00/50/73/510005073.db2.gz KYUDPJWYCQFMJH-SVFBPWRDSA-N 2 2 371.525 2.632 10 0 FFAELP COc1ccc([C@H]2CCCCCN2C(=O)C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000193647361 510005079 /nfs/dbraw/zinc/00/50/79/510005079.db2.gz KYUDPJWYCQFMJH-SVFBPWRDSA-N 2 2 371.525 2.632 10 0 FFAELP COc1ccc([C@H]2CCCCCN2C(=O)C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1 ZINC000193647361 510005083 /nfs/dbraw/zinc/00/50/83/510005083.db2.gz KYUDPJWYCQFMJH-SVFBPWRDSA-N 2 2 371.525 2.632 10 0 FFAELP COc1ccc([C@H]2CCCCCN2C(=O)C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1 ZINC000193647361 510005089 /nfs/dbraw/zinc/00/50/89/510005089.db2.gz KYUDPJWYCQFMJH-SVFBPWRDSA-N 2 2 371.525 2.632 10 0 FFAELP CCn1cc[nH+]c1CN(C(=O)COC1CCCCC1)[C@H]1CC12CC[NH2+]CC2 ZINC000261666478 510019768 /nfs/dbraw/zinc/01/97/68/510019768.db2.gz OLDOFYZVTXURJS-SFHVURJKSA-N 2 2 374.529 2.723 10 0 FFAELP C[C@H](CC(=O)N(C)C)[NH2+]C[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245590411 510024780 /nfs/dbraw/zinc/02/47/80/510024780.db2.gz KWGCVALBGOHERT-DFHBCGBQSA-N 2 2 355.885 2.928 10 0 FFAELP C[C@H](CC(=O)N(C)C)[NH2+]C[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245590411 510024787 /nfs/dbraw/zinc/02/47/87/510024787.db2.gz KWGCVALBGOHERT-DFHBCGBQSA-N 2 2 355.885 2.928 10 0 FFAELP C[C@@H]([NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)C(=O)NC(=O)NC(C)(C)C ZINC000180654655 510038547 /nfs/dbraw/zinc/03/85/47/510038547.db2.gz QNWXKEFECDSAKS-ZIAGYGMSSA-N 2 2 357.458 2.536 10 0 FFAELP CCCCc1noc([C@@H](C)[NH2+]C[C@@H]2CCCN2c2cc(NC)[nH+]cn2)n1 ZINC000174287628 510040322 /nfs/dbraw/zinc/04/03/22/510040322.db2.gz DTUJACJBRYUZKS-KGLIPLIRSA-N 2 2 359.478 2.564 10 0 FFAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](Cc3ccc(C(F)F)cc3)CC2)C1 ZINC000183939441 510048283 /nfs/dbraw/zinc/04/82/83/510048283.db2.gz XBUBRFZYJPMZFM-LJQANCHMSA-N 2 2 367.484 2.851 10 0 FFAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](Cc3ccc(C(F)F)cc3)CC2)C1 ZINC000183939441 510048291 /nfs/dbraw/zinc/04/82/91/510048291.db2.gz XBUBRFZYJPMZFM-LJQANCHMSA-N 2 2 367.484 2.851 10 0 FFAELP C[NH+](C)[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000245674586 510074721 /nfs/dbraw/zinc/07/47/21/510074721.db2.gz FOVCSEIDWFEZLF-XYPHTWIQSA-N 2 2 368.884 2.570 10 0 FFAELP C[NH+](C)[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000245674586 510074725 /nfs/dbraw/zinc/07/47/25/510074725.db2.gz FOVCSEIDWFEZLF-XYPHTWIQSA-N 2 2 368.884 2.570 10 0 FFAELP COC(=O)c1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3scnc3C)C2)o1 ZINC000190465874 510146964 /nfs/dbraw/zinc/14/69/64/510146964.db2.gz SXWXLDMNRPMPPQ-CQSZACIVSA-N 2 2 363.483 2.785 10 0 FFAELP COC(=O)c1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3scnc3C)C2)o1 ZINC000190465874 510146971 /nfs/dbraw/zinc/14/69/71/510146971.db2.gz SXWXLDMNRPMPPQ-CQSZACIVSA-N 2 2 363.483 2.785 10 0 FFAELP COC(=O)c1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3scnc3C)C2)o1 ZINC000190465874 510146976 /nfs/dbraw/zinc/14/69/76/510146976.db2.gz SXWXLDMNRPMPPQ-CQSZACIVSA-N 2 2 363.483 2.785 10 0 FFAELP COC(=O)c1coc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3scnc3C)C2)c1 ZINC000190466220 510147962 /nfs/dbraw/zinc/14/79/62/510147962.db2.gz QWXDPXNHJJRRKD-AWEZNQCLSA-N 2 2 363.483 2.785 10 0 FFAELP COC(=O)c1coc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3scnc3C)C2)c1 ZINC000190466220 510147965 /nfs/dbraw/zinc/14/79/65/510147965.db2.gz QWXDPXNHJJRRKD-AWEZNQCLSA-N 2 2 363.483 2.785 10 0 FFAELP COC(=O)c1coc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3scnc3C)C2)c1 ZINC000190466220 510147974 /nfs/dbraw/zinc/14/79/74/510147974.db2.gz QWXDPXNHJJRRKD-AWEZNQCLSA-N 2 2 363.483 2.785 10 0 FFAELP Cc1ccccc1[C@H]1C[C@H]1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000245955227 510227583 /nfs/dbraw/zinc/22/75/83/510227583.db2.gz WJUUMGYPXAOIRK-RFKLFLIMSA-N 2 2 367.537 2.868 10 0 FFAELP Cc1ccccc1[C@H]1C[C@H]1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000245955227 510227586 /nfs/dbraw/zinc/22/75/86/510227586.db2.gz WJUUMGYPXAOIRK-RFKLFLIMSA-N 2 2 367.537 2.868 10 0 FFAELP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000181044523 510253754 /nfs/dbraw/zinc/25/37/54/510253754.db2.gz KCZSXVJFRUPINT-PKOBYXMFSA-N 2 2 355.486 2.578 10 0 FFAELP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000181044523 510253762 /nfs/dbraw/zinc/25/37/62/510253762.db2.gz KCZSXVJFRUPINT-PKOBYXMFSA-N 2 2 355.486 2.578 10 0 FFAELP O=C(C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)N1CCC[C@H](C(F)(F)F)C1 ZINC000171641668 510270597 /nfs/dbraw/zinc/27/05/97/510270597.db2.gz PITYBDYIVFYCOH-CABCVRRESA-N 2 2 370.419 2.616 10 0 FFAELP O=C(C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)N1CCC[C@H](C(F)(F)F)C1 ZINC000171641668 510270602 /nfs/dbraw/zinc/27/06/02/510270602.db2.gz PITYBDYIVFYCOH-CABCVRRESA-N 2 2 370.419 2.616 10 0 FFAELP CCOc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171640696 510270634 /nfs/dbraw/zinc/27/06/34/510270634.db2.gz WMPVPRPOWSZXEG-MSOLQXFVSA-N 2 2 371.481 2.654 10 0 FFAELP CCOc1ccc(OC[C@@H](O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171640696 510270639 /nfs/dbraw/zinc/27/06/39/510270639.db2.gz WMPVPRPOWSZXEG-MSOLQXFVSA-N 2 2 371.481 2.654 10 0 FFAELP O=c1cc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)nc2ccc(Cl)cn12 ZINC000171645119 510274707 /nfs/dbraw/zinc/27/47/07/510274707.db2.gz KYAMJKLSCYXGRE-AWEZNQCLSA-N 2 2 369.856 2.677 10 0 FFAELP O=c1cc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)nc2ccc(Cl)cn12 ZINC000171645119 510274712 /nfs/dbraw/zinc/27/47/12/510274712.db2.gz KYAMJKLSCYXGRE-AWEZNQCLSA-N 2 2 369.856 2.677 10 0 FFAELP Cc1cccc(NC[C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccnn3C(C)C)C2)[nH+]1 ZINC000171652092 510282056 /nfs/dbraw/zinc/28/20/56/510282056.db2.gz LEVWFJBJEJCJMG-DLBZAZTESA-N 2 2 370.501 2.928 10 0 FFAELP Cc1cccc(NC[C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccnn3C(C)C)C2)[nH+]1 ZINC000171652092 510282063 /nfs/dbraw/zinc/28/20/63/510282063.db2.gz LEVWFJBJEJCJMG-DLBZAZTESA-N 2 2 370.501 2.928 10 0 FFAELP C[C@@H]1CC[N@H+](CC(=O)N(Cc2ccccc2)C2CC2)C[C@H]1n1cc[nH+]c1 ZINC000246202676 510359685 /nfs/dbraw/zinc/35/96/85/510359685.db2.gz BGVCSRNHOVIFRP-YLJYHZDGSA-N 2 2 352.482 2.957 10 0 FFAELP C[C@@H]1CC[N@@H+](CC(=O)N(Cc2ccccc2)C2CC2)C[C@H]1n1cc[nH+]c1 ZINC000246202676 510359692 /nfs/dbraw/zinc/35/96/92/510359692.db2.gz BGVCSRNHOVIFRP-YLJYHZDGSA-N 2 2 352.482 2.957 10 0 FFAELP Cc1cc(C(=O)C[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)c(C)n1C1CC1 ZINC000174901940 510376461 /nfs/dbraw/zinc/37/64/61/510376461.db2.gz UFGOCZXMOMWSQV-FQEVSTJZSA-N 2 2 372.557 2.724 10 0 FFAELP Cc1cc(C(=O)C[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)c(C)n1C1CC1 ZINC000174901940 510376468 /nfs/dbraw/zinc/37/64/68/510376468.db2.gz UFGOCZXMOMWSQV-FQEVSTJZSA-N 2 2 372.557 2.724 10 0 FFAELP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000246482522 510513841 /nfs/dbraw/zinc/51/38/41/510513841.db2.gz XUTGRSKTDPEKNA-SJORKVTESA-N 2 2 369.469 2.663 10 0 FFAELP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000246482522 510513847 /nfs/dbraw/zinc/51/38/47/510513847.db2.gz XUTGRSKTDPEKNA-SJORKVTESA-N 2 2 369.469 2.663 10 0 FFAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2cnn(C(C)C)c2C)nc[nH+]1 ZINC000191357055 510621599 /nfs/dbraw/zinc/62/15/99/510621599.db2.gz MGUIMIVMFFOOOY-GDBMZVCRSA-N 2 2 357.506 2.924 10 0 FFAELP C[C@@H](NC(=O)NCC[NH+]1CCC(C)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000175474442 510659614 /nfs/dbraw/zinc/65/96/14/510659614.db2.gz FPECSYCXUIXHDP-QGZVFWFLSA-N 2 2 355.486 2.964 10 0 FFAELP COc1ccccc1CN(C)C(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246913399 510742014 /nfs/dbraw/zinc/74/20/14/510742014.db2.gz SCYPAZUOGOJGFP-PXNSSMCTSA-N 2 2 371.525 2.602 10 0 FFAELP COc1ccccc1CN(C)C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246913399 510742016 /nfs/dbraw/zinc/74/20/16/510742016.db2.gz SCYPAZUOGOJGFP-PXNSSMCTSA-N 2 2 371.525 2.602 10 0 FFAELP COc1ccccc1CN(C)C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246913399 510742018 /nfs/dbraw/zinc/74/20/18/510742018.db2.gz SCYPAZUOGOJGFP-PXNSSMCTSA-N 2 2 371.525 2.602 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cc(=O)oc2c(C)c(O)ccc12 ZINC000178746541 510750760 /nfs/dbraw/zinc/75/07/60/510750760.db2.gz RGARQQJGCITHMU-MRXNPFEDSA-N 2 2 353.422 2.977 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cc(=O)oc2c(C)c(O)ccc12 ZINC000178746541 510750769 /nfs/dbraw/zinc/75/07/69/510750769.db2.gz RGARQQJGCITHMU-MRXNPFEDSA-N 2 2 353.422 2.977 10 0 FFAELP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1)C2 ZINC000247153300 510845790 /nfs/dbraw/zinc/84/57/90/510845790.db2.gz YOTJMNNQWOYODW-CVEARBPZSA-N 2 2 361.534 2.732 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000247582484 510866729 /nfs/dbraw/zinc/86/67/29/510866729.db2.gz IPTYREJFAJVAJZ-HUUCEWRRSA-N 2 2 372.435 2.883 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000247582484 510866730 /nfs/dbraw/zinc/86/67/30/510866730.db2.gz IPTYREJFAJVAJZ-HUUCEWRRSA-N 2 2 372.435 2.883 10 0 FFAELP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2CCC3(CC[NH2+]3)CC2)C[C@@H](C)O1 ZINC000333345798 511211583 /nfs/dbraw/zinc/21/15/83/511211583.db2.gz ZFLCIZQFWLXIPW-IAGOWNOFSA-N 2 2 372.513 2.656 10 0 FFAELP Clc1cccc2c(N3CCC(c4nnc5n4CC[NH2+]C5)CC3)cc[nH+]c12 ZINC000333601759 511298074 /nfs/dbraw/zinc/29/80/74/511298074.db2.gz WPVVLHSPBFQJCF-UHFFFAOYSA-N 2 2 368.872 2.967 10 0 FFAELP c1cn(CC[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(Cc4ccccc4)no3)C2)c[nH+]1 ZINC000328608389 511891935 /nfs/dbraw/zinc/89/19/35/511891935.db2.gz YVSPBTLRFZFKHX-WIYYLYMNSA-N 2 2 363.465 2.911 10 0 FFAELP c1cn(CC[N@H+]2C[C@H]3CCC[C@@]3(c3nc(Cc4ccccc4)no3)C2)c[nH+]1 ZINC000328608389 511891937 /nfs/dbraw/zinc/89/19/37/511891937.db2.gz YVSPBTLRFZFKHX-WIYYLYMNSA-N 2 2 363.465 2.911 10 0 FFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cn1c(=S)nc2nc(C)cc(C)n21 ZINC000176076913 729108163 /nfs/dbraw/zinc/10/81/63/729108163.db2.gz IATNDWZIZBKJTB-HNNXBMFYSA-N 2 2 357.487 2.504 10 0 FFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cn1c(=S)nc2nc(C)cc(C)n21 ZINC000176076913 729108165 /nfs/dbraw/zinc/10/81/65/729108165.db2.gz IATNDWZIZBKJTB-HNNXBMFYSA-N 2 2 357.487 2.504 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2C(C)=O)C1 ZINC000106216726 250256283 /nfs/dbraw/zinc/25/62/83/250256283.db2.gz OFAKENJXLFDTNM-MRXNPFEDSA-N 2 2 354.454 2.924 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2C(C)=O)C1 ZINC000106216726 250256288 /nfs/dbraw/zinc/25/62/88/250256288.db2.gz OFAKENJXLFDTNM-MRXNPFEDSA-N 2 2 354.454 2.924 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(OC)cc2OC)C1 ZINC000106216357 250257007 /nfs/dbraw/zinc/25/70/07/250257007.db2.gz ZQXQGQNNDYVIPD-OAHLLOKOSA-N 2 2 372.469 2.738 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(OC)cc2OC)C1 ZINC000106216357 250257012 /nfs/dbraw/zinc/25/70/12/250257012.db2.gz ZQXQGQNNDYVIPD-OAHLLOKOSA-N 2 2 372.469 2.738 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2nnnn2-c2c(C)cccc2C)C1 ZINC000106212216 250257348 /nfs/dbraw/zinc/25/73/48/250257348.db2.gz ZEGMKQOCHXTKJJ-KRWDZBQOSA-N 2 2 365.485 2.875 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2nnnn2-c2c(C)cccc2C)C1 ZINC000106212216 250257351 /nfs/dbraw/zinc/25/73/51/250257351.db2.gz ZEGMKQOCHXTKJJ-KRWDZBQOSA-N 2 2 365.485 2.875 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)c2[nH]c(C)c(C(=O)OC)c2C)C1 ZINC000106217311 250259769 /nfs/dbraw/zinc/25/97/69/250259769.db2.gz ZAPUNPHYSJRDNB-OAHLLOKOSA-N 2 2 372.469 2.697 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)c2[nH]c(C)c(C(=O)OC)c2C)C1 ZINC000106217311 250259773 /nfs/dbraw/zinc/25/97/73/250259773.db2.gz ZAPUNPHYSJRDNB-OAHLLOKOSA-N 2 2 372.469 2.697 10 0 FFAELP O=C(c1ccc(C[NH+]2CCSCC2)cc1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000329373799 258136715 /nfs/dbraw/zinc/13/67/15/258136715.db2.gz NFLIBFGULOBERR-KRWDZBQOSA-N 2 2 356.495 2.936 10 0 FFAELP c1cc2c(nc[nH+]c2N2CCC(c3[nH+]ccn3Cc3ccncc3)CC2)[nH]1 ZINC000091288999 132200827 /nfs/dbraw/zinc/20/08/27/132200827.db2.gz DPHUUFARLOPLJT-UHFFFAOYSA-N 2 2 359.437 2.982 10 0 FFAELP Cc1noc([C@H](C)[NH+]2CCN(c3cc[nH+]cc3-c3cccnc3)CC2)n1 ZINC000366824277 512203639 /nfs/dbraw/zinc/20/36/39/512203639.db2.gz RYZPBISFXXDEEC-AWEZNQCLSA-N 2 2 350.426 2.718 10 0 FFAELP CC[NH+](CC)[C@@H](C)CNC(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000061879609 507646289 /nfs/dbraw/zinc/64/62/89/507646289.db2.gz BZBIUOAXMKRNFH-KRWDZBQOSA-N 2 2 361.534 2.847 10 0 FFAELP CC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CCC[C@@H]2c2ccc(OC)cc2)C1 ZINC000072857945 507864970 /nfs/dbraw/zinc/86/49/70/507864970.db2.gz GFPWYZWBDHHIDI-FXAWDEMLSA-N 2 2 359.514 2.632 10 0 FFAELP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CCC[C@@H]2c2ccc(OC)cc2)C1 ZINC000072857945 507864971 /nfs/dbraw/zinc/86/49/71/507864971.db2.gz GFPWYZWBDHHIDI-FXAWDEMLSA-N 2 2 359.514 2.632 10 0 FFAELP CC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2c2ccc(OC)cc2)C1 ZINC000072857945 507864972 /nfs/dbraw/zinc/86/49/72/507864972.db2.gz GFPWYZWBDHHIDI-FXAWDEMLSA-N 2 2 359.514 2.632 10 0 FFAELP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2c2ccc(OC)cc2)C1 ZINC000072857945 507864973 /nfs/dbraw/zinc/86/49/73/507864973.db2.gz GFPWYZWBDHHIDI-FXAWDEMLSA-N 2 2 359.514 2.632 10 0 FFAELP O=C(NCc1ccc(N2CCCC2)[nH+]c1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107831583 507869191 /nfs/dbraw/zinc/86/91/91/507869191.db2.gz KJKYZMOVMQYOFW-LJQANCHMSA-N 2 2 371.529 2.842 10 0 FFAELP CC[NH+](CC)Cc1ccc(CNc2cc(N3CCC[C@@H]3CO)nc[nH+]2)cc1 ZINC000110122681 508009151 /nfs/dbraw/zinc/00/91/51/508009151.db2.gz AVWQADGIOZFMGZ-LJQANCHMSA-N 2 2 369.513 2.892 10 0 FFAELP CC[NH+](CC)Cc1ccc(CNc2cc(N3CCC[C@@H]3CO)[nH+]cn2)cc1 ZINC000110122681 508009154 /nfs/dbraw/zinc/00/91/54/508009154.db2.gz AVWQADGIOZFMGZ-LJQANCHMSA-N 2 2 369.513 2.892 10 0 FFAELP CCC(CC)[C@H](CNc1cc(N2CCC[C@@H]2CO)[nH+]cn1)[NH+]1CCCC1 ZINC000110127201 508009203 /nfs/dbraw/zinc/00/92/03/508009203.db2.gz PWGLSCLAGWVIPD-MSOLQXFVSA-N 2 2 361.534 2.750 10 0 FFAELP OC[C@@H]1CCCN1c1cc(NCc2cccc(C[NH+]3CCCC3)c2)[nH+]cn1 ZINC000110129036 508009573 /nfs/dbraw/zinc/00/95/73/508009573.db2.gz RXOBUTNBFQMHMB-IBGZPJMESA-N 2 2 367.497 2.646 10 0 FFAELP OC[C@@H]1CCCN1c1cc(NCc2cccc(C[NH+]3CCCC3)c2)nc[nH+]1 ZINC000110129036 508009576 /nfs/dbraw/zinc/00/95/76/508009576.db2.gz RXOBUTNBFQMHMB-IBGZPJMESA-N 2 2 367.497 2.646 10 0 FFAELP O=C1[C@H]([N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CCN1c1ccccc1F ZINC000112340681 508176301 /nfs/dbraw/zinc/17/63/01/508176301.db2.gz URIHADLWIKDXPK-CRAIPNDOSA-N 2 2 354.429 2.760 10 0 FFAELP O=C1[C@H]([N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CCN1c1ccccc1F ZINC000112340681 508176303 /nfs/dbraw/zinc/17/63/03/508176303.db2.gz URIHADLWIKDXPK-CRAIPNDOSA-N 2 2 354.429 2.760 10 0 FFAELP CCC[NH+]1CCC(CNC(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000101995581 508263601 /nfs/dbraw/zinc/26/36/01/508263601.db2.gz BGTXHHMAYVMYLV-UHFFFAOYSA-N 2 2 355.486 2.794 10 0 FFAELP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000152368544 508432802 /nfs/dbraw/zinc/43/28/02/508432802.db2.gz LRAFAYVFKHTORN-LJQANCHMSA-N 2 2 373.545 2.992 10 0 FFAELP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000152368544 508432805 /nfs/dbraw/zinc/43/28/05/508432805.db2.gz LRAFAYVFKHTORN-LJQANCHMSA-N 2 2 373.545 2.992 10 0 FFAELP Cc1ccccc1-c1nc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)no1 ZINC000127647892 508481530 /nfs/dbraw/zinc/48/15/30/508481530.db2.gz IQJRXNTYAAMSFI-INIZCTEOSA-N 2 2 358.486 2.570 10 0 FFAELP Cc1ccccc1-c1nc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)no1 ZINC000127647892 508481532 /nfs/dbraw/zinc/48/15/32/508481532.db2.gz IQJRXNTYAAMSFI-INIZCTEOSA-N 2 2 358.486 2.570 10 0 FFAELP COc1ccc([C@H](C)C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000172752791 509212597 /nfs/dbraw/zinc/21/25/97/509212597.db2.gz CNAAUPOUNDGNLU-SFHVURJKSA-N 2 2 373.541 2.865 10 0 FFAELP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2cnc(-c3ccccc3)[nH]2)nc[nH+]1 ZINC000175992945 509261231 /nfs/dbraw/zinc/26/12/31/509261231.db2.gz FJFIIDCJBUKAAK-KRWDZBQOSA-N 2 2 363.469 2.667 10 0 FFAELP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2c[nH]c(-c3ccccc3)n2)nc[nH+]1 ZINC000175992945 509261235 /nfs/dbraw/zinc/26/12/35/509261235.db2.gz FJFIIDCJBUKAAK-KRWDZBQOSA-N 2 2 363.469 2.667 10 0 FFAELP C[C@@H](C(=O)NC1CCCCC1)[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248637138 509406581 /nfs/dbraw/zinc/40/65/81/509406581.db2.gz AALDEZNBBFMHSQ-HKUYNNGSSA-N 2 2 358.530 2.673 10 0 FFAELP C[C@@H](C(=O)NC1CCCCC1)[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248637138 509406584 /nfs/dbraw/zinc/40/65/84/509406584.db2.gz AALDEZNBBFMHSQ-HKUYNNGSSA-N 2 2 358.530 2.673 10 0 FFAELP C[C@@H](C(=O)NC1CCCCC1)[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248637138 509406586 /nfs/dbraw/zinc/40/65/86/509406586.db2.gz AALDEZNBBFMHSQ-HKUYNNGSSA-N 2 2 358.530 2.673 10 0 FFAELP C[C@@H](C(=O)NC1CCCCC1)[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248637138 509406588 /nfs/dbraw/zinc/40/65/88/509406588.db2.gz AALDEZNBBFMHSQ-HKUYNNGSSA-N 2 2 358.530 2.673 10 0 FFAELP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000176561419 509584612 /nfs/dbraw/zinc/58/46/12/509584612.db2.gz XUTGRSKTDPEKNA-IAGOWNOFSA-N 2 2 369.469 2.663 10 0 FFAELP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000176561419 509584619 /nfs/dbraw/zinc/58/46/19/509584619.db2.gz XUTGRSKTDPEKNA-IAGOWNOFSA-N 2 2 369.469 2.663 10 0 FFAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2nc3ccccc3n2C)nc[nH+]1 ZINC000180166112 509788734 /nfs/dbraw/zinc/78/87/34/509788734.db2.gz CIBKVNPLWSGOND-LSDHHAIUSA-N 2 2 365.485 2.725 10 0 FFAELP C[C@@H](NC(=O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1ccc(Cl)c(Cl)c1 ZINC000193612585 509990990 /nfs/dbraw/zinc/99/09/90/509990990.db2.gz FCSDOFXVYMVLQQ-BNOWGMLFSA-N 2 2 356.297 2.664 10 0 FFAELP C[C@@H](NC(=O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1ccc(Cl)c(Cl)c1 ZINC000193612585 509990992 /nfs/dbraw/zinc/99/09/92/509990992.db2.gz FCSDOFXVYMVLQQ-BNOWGMLFSA-N 2 2 356.297 2.664 10 0 FFAELP C[C@@H](NC(=O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1)c1ccc(Cl)c(Cl)c1 ZINC000193612585 509990995 /nfs/dbraw/zinc/99/09/95/509990995.db2.gz FCSDOFXVYMVLQQ-BNOWGMLFSA-N 2 2 356.297 2.664 10 0 FFAELP C[C@@H](NC(=O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1)c1ccc(Cl)c(Cl)c1 ZINC000193612585 509990998 /nfs/dbraw/zinc/99/09/98/509990998.db2.gz FCSDOFXVYMVLQQ-BNOWGMLFSA-N 2 2 356.297 2.664 10 0 FFAELP COC(=O)c1oc([C@H](C)[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1C ZINC000180614593 510014473 /nfs/dbraw/zinc/01/44/73/510014473.db2.gz ADWNFMLLSXOCCW-INIZCTEOSA-N 2 2 374.485 2.729 10 0 FFAELP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177367645 510017362 /nfs/dbraw/zinc/01/73/62/510017362.db2.gz FSUJATYJAIYUAQ-HXUWFJFHSA-N 2 2 367.497 2.853 10 0 FFAELP Cc1ccc(C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)cc1Oc1cc[nH+]cc1 ZINC000174313826 510055040 /nfs/dbraw/zinc/05/50/40/510055040.db2.gz PVMDRDUPPKOEAB-DLBZAZTESA-N 2 2 369.465 2.709 10 0 FFAELP Cc1ccc(C(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)cc1Oc1cc[nH+]cc1 ZINC000174313826 510055048 /nfs/dbraw/zinc/05/50/48/510055048.db2.gz PVMDRDUPPKOEAB-DLBZAZTESA-N 2 2 369.465 2.709 10 0 FFAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+]([C@@H]3CCc4ccc(F)cc43)CC2)C1 ZINC000177710327 510210282 /nfs/dbraw/zinc/21/02/82/510210282.db2.gz QSFSQIQCPMJELO-TZIWHRDSSA-N 2 2 361.505 2.540 10 0 FFAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+]([C@@H]3CCc4ccc(F)cc43)CC2)C1 ZINC000177710327 510210288 /nfs/dbraw/zinc/21/02/88/510210288.db2.gz QSFSQIQCPMJELO-TZIWHRDSSA-N 2 2 361.505 2.540 10 0 FFAELP Cc1ccc(S(=O)(=O)CCC[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000245964070 510229667 /nfs/dbraw/zinc/22/96/67/510229667.db2.gz DTGJYOFHJHAQFV-MJGOQNOKSA-N 2 2 361.511 2.938 10 0 FFAELP Cc1ccc(S(=O)(=O)CCC[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000245964070 510229671 /nfs/dbraw/zinc/22/96/71/510229671.db2.gz DTGJYOFHJHAQFV-MJGOQNOKSA-N 2 2 361.511 2.938 10 0 FFAELP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)NCc3ccc(C)c(F)c3)C2)[nH+]1 ZINC000171650687 510280373 /nfs/dbraw/zinc/28/03/73/510280373.db2.gz CQPSBCZVSXKWME-GOSISDBHSA-N 2 2 370.472 2.888 10 0 FFAELP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)NCc3ccc(C)c(F)c3)C2)[nH+]1 ZINC000171650687 510280383 /nfs/dbraw/zinc/28/03/83/510280383.db2.gz CQPSBCZVSXKWME-GOSISDBHSA-N 2 2 370.472 2.888 10 0 FFAELP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)NCc3ccccc3F)C2)[nH+]1 ZINC000171651578 510281691 /nfs/dbraw/zinc/28/16/91/510281691.db2.gz WBKVJALCCDWPKV-INIZCTEOSA-N 2 2 356.445 2.579 10 0 FFAELP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)NCc3ccccc3F)C2)[nH+]1 ZINC000171651578 510281699 /nfs/dbraw/zinc/28/16/99/510281699.db2.gz WBKVJALCCDWPKV-INIZCTEOSA-N 2 2 356.445 2.579 10 0 FFAELP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)NCc3ccc(F)cc3)C2)[nH+]1 ZINC000171653062 510284050 /nfs/dbraw/zinc/28/40/50/510284050.db2.gz PHZHHFALXVCVFN-KRWDZBQOSA-N 2 2 356.445 2.579 10 0 FFAELP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)NCc3ccc(F)cc3)C2)[nH+]1 ZINC000171653062 510284056 /nfs/dbraw/zinc/28/40/56/510284056.db2.gz PHZHHFALXVCVFN-KRWDZBQOSA-N 2 2 356.445 2.579 10 0 FFAELP COc1cccc(NC(=O)C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)c1 ZINC000171653456 510284158 /nfs/dbraw/zinc/28/41/58/510284158.db2.gz XLKAUTUIXZFIQQ-INIZCTEOSA-N 2 2 354.454 2.771 10 0 FFAELP COc1cccc(NC(=O)C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)c1 ZINC000171653456 510284162 /nfs/dbraw/zinc/28/41/62/510284162.db2.gz XLKAUTUIXZFIQQ-INIZCTEOSA-N 2 2 354.454 2.771 10 0 FFAELP Cc1cccc(C)c1OC[C@H](O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246105510 510296711 /nfs/dbraw/zinc/29/67/11/510296711.db2.gz IOGVRFIRMIBDCO-RBUKOAKNSA-N 2 2 355.482 2.872 10 0 FFAELP Cc1cccc(C)c1OC[C@H](O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246105510 510296719 /nfs/dbraw/zinc/29/67/19/510296719.db2.gz IOGVRFIRMIBDCO-RBUKOAKNSA-N 2 2 355.482 2.872 10 0 FFAELP COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c(OC)c1 ZINC000181283071 510336828 /nfs/dbraw/zinc/33/68/28/510336828.db2.gz MWJPBJXXTDLUJW-MPGHIAIKSA-N 2 2 363.502 2.739 10 0 FFAELP COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2C[N@H+](C(C)C)C[C@@H]2C)c(OC)c1 ZINC000181283071 510336832 /nfs/dbraw/zinc/33/68/32/510336832.db2.gz MWJPBJXXTDLUJW-MPGHIAIKSA-N 2 2 363.502 2.739 10 0 FFAELP CCOc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000246191970 510351598 /nfs/dbraw/zinc/35/15/98/510351598.db2.gz WMPVPRPOWSZXEG-ROUUACIJSA-N 2 2 371.481 2.654 10 0 FFAELP CCOc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000246191970 510351603 /nfs/dbraw/zinc/35/16/03/510351603.db2.gz WMPVPRPOWSZXEG-ROUUACIJSA-N 2 2 371.481 2.654 10 0 FFAELP C[NH+]1CCN([C@H]2CCCC[N@H+](CCOc3ccccc3Cl)C2)CC1 ZINC000174891939 510370399 /nfs/dbraw/zinc/37/03/99/510370399.db2.gz ATOUSXDLGUBQGO-KRWDZBQOSA-N 2 2 351.922 2.821 10 0 FFAELP C[NH+]1CCN([C@H]2CCCC[N@@H+](CCOc3ccccc3Cl)C2)CC1 ZINC000174891939 510370406 /nfs/dbraw/zinc/37/04/06/510370406.db2.gz ATOUSXDLGUBQGO-KRWDZBQOSA-N 2 2 351.922 2.821 10 0 FFAELP COc1ccc(NC(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1OC ZINC000246529602 510538859 /nfs/dbraw/zinc/53/88/59/510538859.db2.gz JIKLWHSPPKLGMB-MAUKXSAKSA-N 2 2 373.497 2.591 10 0 FFAELP COc1ccc(NC(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1OC ZINC000246529602 510538866 /nfs/dbraw/zinc/53/88/66/510538866.db2.gz JIKLWHSPPKLGMB-MAUKXSAKSA-N 2 2 373.497 2.591 10 0 FFAELP COc1ccc(NC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1OC ZINC000246529602 510538872 /nfs/dbraw/zinc/53/88/72/510538872.db2.gz JIKLWHSPPKLGMB-MAUKXSAKSA-N 2 2 373.497 2.591 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccc(N(C)CCOC)nc2)C1 ZINC000191343879 510614354 /nfs/dbraw/zinc/61/43/54/510614354.db2.gz FMXWZJNBRJFQJH-GOSISDBHSA-N 2 2 357.502 2.760 10 0 FFAELP COc1ccc([C@@H]2CCCN2C(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000246742398 510648044 /nfs/dbraw/zinc/64/80/44/510648044.db2.gz MUOGJIKLAIOQAO-QRFRQXIXSA-N 2 2 359.514 2.773 10 0 FFAELP COc1ccc([C@@H]2CCCN2C(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000246742398 510648051 /nfs/dbraw/zinc/64/80/51/510648051.db2.gz MUOGJIKLAIOQAO-QRFRQXIXSA-N 2 2 359.514 2.773 10 0 FFAELP COc1ccc([C@@H]2CCCN2C(=O)C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000246742398 510648057 /nfs/dbraw/zinc/64/80/57/510648057.db2.gz MUOGJIKLAIOQAO-QRFRQXIXSA-N 2 2 359.514 2.773 10 0 FFAELP COc1ccc([C@@H]2CCCN2C(=O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000246742398 510648066 /nfs/dbraw/zinc/64/80/66/510648066.db2.gz MUOGJIKLAIOQAO-QRFRQXIXSA-N 2 2 359.514 2.773 10 0 FFAELP Cc1ccc(CNC(=O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1F ZINC000246801181 510683602 /nfs/dbraw/zinc/68/36/02/510683602.db2.gz MWBYNTFUROTTHW-PXNSSMCTSA-N 2 2 359.489 2.699 10 0 FFAELP Cc1ccc(CNC(=O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1F ZINC000246801181 510683606 /nfs/dbraw/zinc/68/36/06/510683606.db2.gz MWBYNTFUROTTHW-PXNSSMCTSA-N 2 2 359.489 2.699 10 0 FFAELP Cc1ccc(CNC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1F ZINC000246801181 510683616 /nfs/dbraw/zinc/68/36/16/510683616.db2.gz MWBYNTFUROTTHW-PXNSSMCTSA-N 2 2 359.489 2.699 10 0 FFAELP Cc1ccc(CNC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1F ZINC000246801181 510683627 /nfs/dbraw/zinc/68/36/27/510683627.db2.gz MWBYNTFUROTTHW-PXNSSMCTSA-N 2 2 359.489 2.699 10 0 FFAELP CCN(C(=O)C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1)c1ccccc1 ZINC000195277538 510753536 /nfs/dbraw/zinc/75/35/36/510753536.db2.gz FUXLRHBSFPMRGS-HXUWFJFHSA-N 2 2 366.509 2.888 10 0 FFAELP CCN(C(=O)C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1)c1ccccc1 ZINC000195277538 510753541 /nfs/dbraw/zinc/75/35/41/510753541.db2.gz FUXLRHBSFPMRGS-HXUWFJFHSA-N 2 2 366.509 2.888 10 0 FFAELP CCN(C(=O)C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1)c1ccccc1 ZINC000195277538 510753549 /nfs/dbraw/zinc/75/35/49/510753549.db2.gz FUXLRHBSFPMRGS-HXUWFJFHSA-N 2 2 366.509 2.888 10 0 FFAELP CCN(C(=O)C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1)c1ccccc1 ZINC000195277538 510753553 /nfs/dbraw/zinc/75/35/53/510753553.db2.gz FUXLRHBSFPMRGS-HXUWFJFHSA-N 2 2 366.509 2.888 10 0 FFAELP Cc1cc(C)cc(OC[C@H](O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000247321088 510856911 /nfs/dbraw/zinc/85/69/11/510856911.db2.gz IBWGAYZTUWDEBS-RBUKOAKNSA-N 2 2 355.482 2.872 10 0 FFAELP Cc1cc(C)cc(OC[C@H](O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000247321088 510856912 /nfs/dbraw/zinc/85/69/12/510856912.db2.gz IBWGAYZTUWDEBS-RBUKOAKNSA-N 2 2 355.482 2.872 10 0 FFAELP CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)C1 ZINC000247635103 510867530 /nfs/dbraw/zinc/86/75/30/510867530.db2.gz UCIWGEJDNOLCAZ-IHPCNDPISA-N 2 2 367.497 2.895 10 0 FFAELP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N2CCC3(CC[NH2+]3)CC2)C[C@H](C)O1 ZINC000333345797 511211382 /nfs/dbraw/zinc/21/13/82/511211382.db2.gz ZFLCIZQFWLXIPW-CALCHBBNSA-N 2 2 372.513 2.656 10 0 FFAELP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N2CCC3(CC[NH2+]3)CC2)C[C@H](C)O1 ZINC000333345797 511211388 /nfs/dbraw/zinc/21/13/88/511211388.db2.gz ZFLCIZQFWLXIPW-CALCHBBNSA-N 2 2 372.513 2.656 10 0 FFAELP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2cnn3ccccc23)[C@@H]1c1cnn(C)c1 ZINC000328656280 511909580 /nfs/dbraw/zinc/90/95/80/511909580.db2.gz ZFOOCGUCFYGMCE-LAUBAEHRSA-N 2 2 366.513 2.973 10 0 FFAELP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2cnn3ccccc23)[C@@H]1c1cnn(C)c1 ZINC000328656280 511909585 /nfs/dbraw/zinc/90/95/85/511909585.db2.gz ZFOOCGUCFYGMCE-LAUBAEHRSA-N 2 2 366.513 2.973 10 0 FFAELP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2cnn3ccccc23)[C@@H]1c1cnn(C)c1 ZINC000328656280 511909589 /nfs/dbraw/zinc/90/95/89/511909589.db2.gz ZFOOCGUCFYGMCE-LAUBAEHRSA-N 2 2 366.513 2.973 10 0 FFAELP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2cnn3ccccc23)[C@@H]1c1cnn(C)c1 ZINC000328656280 511909593 /nfs/dbraw/zinc/90/95/93/511909593.db2.gz ZFOOCGUCFYGMCE-LAUBAEHRSA-N 2 2 366.513 2.973 10 0 FFAELP C[C@@]1(C[NH2+]C[C@H](O)COCc2ccco2)CCC[N@@H+]1Cc1ccccc1 ZINC000397891057 512950447 /nfs/dbraw/zinc/95/04/47/512950447.db2.gz GGRUTHRVLCAOOE-FPOVZHCZSA-N 2 2 358.482 2.801 10 0 FFAELP C[C@@]1(C[NH2+]C[C@H](O)COCc2ccco2)CCC[N@H+]1Cc1ccccc1 ZINC000397891057 512950450 /nfs/dbraw/zinc/95/04/50/512950450.db2.gz GGRUTHRVLCAOOE-FPOVZHCZSA-N 2 2 358.482 2.801 10 0 FFAELP C[C@@H](CNC(=O)c1cc(C[N@H+](C)Cc2ccccc2)on1)[NH+]1CCCC1 ZINC000067789350 205392834 /nfs/dbraw/zinc/39/28/34/205392834.db2.gz GTDUAGYWYLZYIS-INIZCTEOSA-N 2 2 356.470 2.521 10 0 FFAELP C[C@@H](CNC(=O)c1cc(C[N@@H+](C)Cc2ccccc2)on1)[NH+]1CCCC1 ZINC000067789350 205392838 /nfs/dbraw/zinc/39/28/38/205392838.db2.gz GTDUAGYWYLZYIS-INIZCTEOSA-N 2 2 356.470 2.521 10 0 FFAELP COC(=O)[C@@H](C)Oc1ccc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000092812904 250002694 /nfs/dbraw/zinc/00/26/94/250002694.db2.gz WQMGNTJCSQXVFK-SJLPKXTDSA-N 2 2 369.465 2.956 10 0 FFAELP COC(=O)[C@@H](C)Oc1ccc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000092812904 250002698 /nfs/dbraw/zinc/00/26/98/250002698.db2.gz WQMGNTJCSQXVFK-SJLPKXTDSA-N 2 2 369.465 2.956 10 0 FFAELP Cc1cccc(NC[C@H]2CC[N@H+](CCS(=O)(=O)c3ccccc3)C2)[nH+]1 ZINC000102655905 250118981 /nfs/dbraw/zinc/11/89/81/250118981.db2.gz MDMBXNJPDWAQFP-QGZVFWFLSA-N 2 2 359.495 2.598 10 0 FFAELP Cc1cccc(NC[C@H]2CC[N@@H+](CCS(=O)(=O)c3ccccc3)C2)[nH+]1 ZINC000102655905 250118988 /nfs/dbraw/zinc/11/89/88/250118988.db2.gz MDMBXNJPDWAQFP-QGZVFWFLSA-N 2 2 359.495 2.598 10 0 FFAELP C[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000104770909 250186192 /nfs/dbraw/zinc/18/61/92/250186192.db2.gz KFNPKLAFPGWEQR-QGZVFWFLSA-N 2 2 371.485 2.958 10 0 FFAELP C[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000104770909 250186199 /nfs/dbraw/zinc/18/61/99/250186199.db2.gz KFNPKLAFPGWEQR-QGZVFWFLSA-N 2 2 371.485 2.958 10 0 FFAELP Cc1cc(C)cc(NC(=O)C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1 ZINC000106130400 250240041 /nfs/dbraw/zinc/24/00/41/250240041.db2.gz NLHUAQQTJVWSGA-UHFFFAOYSA-N 2 2 369.513 2.535 10 0 FFAELP Cc1cc(C)cc(NC(=O)C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1 ZINC000106130400 250240044 /nfs/dbraw/zinc/24/00/44/250240044.db2.gz NLHUAQQTJVWSGA-UHFFFAOYSA-N 2 2 369.513 2.535 10 0 FFAELP Cc1sc2nc(C[N@@H+]3CC[C@H](CNc4cccc[nH+]4)C3)[nH]c(=O)c2c1C ZINC000163460005 251191186 /nfs/dbraw/zinc/19/11/86/251191186.db2.gz FMACDBVTKPIFPF-CQSZACIVSA-N 2 2 369.494 2.930 10 0 FFAELP Cc1sc2nc(C[N@H+]3CC[C@H](CNc4cccc[nH+]4)C3)[nH]c(=O)c2c1C ZINC000163460005 251191190 /nfs/dbraw/zinc/19/11/90/251191190.db2.gz FMACDBVTKPIFPF-CQSZACIVSA-N 2 2 369.494 2.930 10 0 FFAELP CCc1cc(NC[C@H](c2cnn(C)c2)[NH+](C)C)nc(-c2ccncc2)[nH+]1 ZINC000301301428 258041189 /nfs/dbraw/zinc/04/11/89/258041189.db2.gz VHPWDQWSUPPSEI-QGZVFWFLSA-N 2 2 351.458 2.549 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cc(=O)n3cc(C)ccc3n2)C1 ZINC000329171181 258131642 /nfs/dbraw/zinc/13/16/42/258131642.db2.gz KKOXMAMTRYTDLC-KRWDZBQOSA-N 2 2 351.454 2.599 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cc(=O)n3cc(C)ccc3n2)C1 ZINC000329171181 258131643 /nfs/dbraw/zinc/13/16/43/258131643.db2.gz KKOXMAMTRYTDLC-KRWDZBQOSA-N 2 2 351.454 2.599 10 0 FFAELP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC4(CC[NH2+]4)CC3)n2)C1 ZINC000333228457 258257174 /nfs/dbraw/zinc/25/71/74/258257174.db2.gz BKJDKCSKWGMHOZ-CQSZACIVSA-N 2 2 363.531 2.735 10 0 FFAELP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC4(CC[NH2+]4)CC3)n2)C1 ZINC000333228457 258257175 /nfs/dbraw/zinc/25/71/75/258257175.db2.gz BKJDKCSKWGMHOZ-CQSZACIVSA-N 2 2 363.531 2.735 10 0 FFAELP Cc1nc(N2CC[NH+](C[C@H](C)O)CC2)c(Cc2ccccc2Cl)c(C)[nH+]1 ZINC000036340215 506401699 /nfs/dbraw/zinc/40/16/99/506401699.db2.gz NCXSPDHROLDOPU-AWEZNQCLSA-N 2 2 374.916 2.840 10 0 FFAELP CC(C)C[C@H](C[NH+](C)C)NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000067646029 506959862 /nfs/dbraw/zinc/95/98/62/506959862.db2.gz CGVUMWGVADNEMV-MRXNPFEDSA-N 2 2 361.465 2.787 10 0 FFAELP COCCCOc1cccc(C[NH+]2CCC([N@@H+]3CCO[C@H](C)C3)CC2)c1 ZINC000092091230 508042512 /nfs/dbraw/zinc/04/25/12/508042512.db2.gz BYVICOHPAGHOKQ-GOSISDBHSA-N 2 2 362.514 2.787 10 0 FFAELP COCCCOc1cccc(C[NH+]2CCC([N@H+]3CCO[C@H](C)C3)CC2)c1 ZINC000092091230 508042514 /nfs/dbraw/zinc/04/25/14/508042514.db2.gz BYVICOHPAGHOKQ-GOSISDBHSA-N 2 2 362.514 2.787 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)N(C)Cc2ccc(F)cc2)C1 ZINC000114720529 508341740 /nfs/dbraw/zinc/34/17/40/508341740.db2.gz HPPXRLONWIKQOU-SFHVURJKSA-N 2 2 358.461 2.880 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)N(C)Cc2ccc(F)cc2)C1 ZINC000114720529 508341742 /nfs/dbraw/zinc/34/17/42/508341742.db2.gz HPPXRLONWIKQOU-SFHVURJKSA-N 2 2 358.461 2.880 10 0 FFAELP Cc1ccc(N2CCC(NC(=O)c3ccc(C[NH+](C)C)cc3)CC2)[nH+]c1 ZINC000157753127 508606938 /nfs/dbraw/zinc/60/69/38/508606938.db2.gz QEIJAZSYLOWLGS-UHFFFAOYSA-N 2 2 352.482 2.850 10 0 FFAELP C[C@@H]1CCCN(c2cc(NC3CC[NH+](C[C@@H]4CCOC4)CC3)nc[nH+]2)C1 ZINC000123065861 508630230 /nfs/dbraw/zinc/63/02/30/508630230.db2.gz CHLDROFBVOTDLL-SJORKVTESA-N 2 2 359.518 2.626 10 0 FFAELP C[C@@H]1CCCN(c2cc(NC3CC[NH+](C[C@@H]4CCOC4)CC3)[nH+]cn2)C1 ZINC000123065861 508630233 /nfs/dbraw/zinc/63/02/33/508630233.db2.gz CHLDROFBVOTDLL-SJORKVTESA-N 2 2 359.518 2.626 10 0 FFAELP COC(=O)[C@H](c1cc(OC)cc(OC)c1)[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000154550952 508808252 /nfs/dbraw/zinc/80/82/52/508808252.db2.gz XGOPKFKBSWYNBN-LPHOPBHVSA-N 2 2 373.453 2.587 10 0 FFAELP COC(=O)[C@H](c1cc(OC)cc(OC)c1)[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000154550952 508808256 /nfs/dbraw/zinc/80/82/56/508808256.db2.gz XGOPKFKBSWYNBN-LPHOPBHVSA-N 2 2 373.453 2.587 10 0 FFAELP O[C@H]1CCCC[C@H]1[NH+]1CCC(Nc2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000132901192 509088952 /nfs/dbraw/zinc/08/89/52/509088952.db2.gz HQOXHMZXANWZHP-MSOLQXFVSA-N 2 2 359.518 2.647 10 0 FFAELP O[C@H]1CCCC[C@H]1[NH+]1CCC(Nc2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000132901192 509088955 /nfs/dbraw/zinc/08/89/55/509088955.db2.gz HQOXHMZXANWZHP-MSOLQXFVSA-N 2 2 359.518 2.647 10 0 FFAELP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000176233705 509394255 /nfs/dbraw/zinc/39/42/55/509394255.db2.gz JFOHGYINWOVFHM-SFHVURJKSA-N 2 2 373.476 2.766 10 0 FFAELP C[C@@H](C1CC1)N(C(=O)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1)C1CC1 ZINC000248649042 509414931 /nfs/dbraw/zinc/41/49/31/509414931.db2.gz KJDCFQAPUHPERF-HKUYNNGSSA-N 2 2 370.541 2.625 10 0 FFAELP C[C@@H](C1CC1)N(C(=O)C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1)C1CC1 ZINC000248649042 509414938 /nfs/dbraw/zinc/41/49/38/509414938.db2.gz KJDCFQAPUHPERF-HKUYNNGSSA-N 2 2 370.541 2.625 10 0 FFAELP C[C@@H](C1CC1)N(C(=O)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1)C1CC1 ZINC000248649042 509414949 /nfs/dbraw/zinc/41/49/49/509414949.db2.gz KJDCFQAPUHPERF-HKUYNNGSSA-N 2 2 370.541 2.625 10 0 FFAELP NC(=O)[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccc(F)cc1 ZINC000248696789 509440653 /nfs/dbraw/zinc/44/06/53/509440653.db2.gz DGGYXMPVENEUGS-MJUUVYJYSA-N 2 2 367.468 2.852 10 0 FFAELP NC(=O)[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccc(F)cc1 ZINC000248696789 509440659 /nfs/dbraw/zinc/44/06/59/509440659.db2.gz DGGYXMPVENEUGS-MJUUVYJYSA-N 2 2 367.468 2.852 10 0 FFAELP c1ccc(N2CC[NH+](C[C@H]3CCC[N@H+](C[C@H]4CCC=CO4)C3)CC2)nc1 ZINC000248991565 509565653 /nfs/dbraw/zinc/56/56/53/509565653.db2.gz NNNXUFNRNGYZKQ-WOJBJXKFSA-N 2 2 356.514 2.608 10 0 FFAELP c1ccc(N2CC[NH+](C[C@H]3CCC[N@@H+](C[C@H]4CCC=CO4)C3)CC2)nc1 ZINC000248991565 509565658 /nfs/dbraw/zinc/56/56/58/509565658.db2.gz NNNXUFNRNGYZKQ-WOJBJXKFSA-N 2 2 356.514 2.608 10 0 FFAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2ccc(OC)c(OC)c2)nc[nH+]1 ZINC000173396010 509571521 /nfs/dbraw/zinc/57/15/21/509571521.db2.gz SRLNAAPXHRCSLL-GDBMZVCRSA-N 2 2 371.485 2.855 10 0 FFAELP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)C12CCOCC2 ZINC000249067309 509591112 /nfs/dbraw/zinc/59/11/12/509591112.db2.gz ZOMNEWDQMFCXCL-BVOGOJNSSA-N 2 2 373.541 2.856 10 0 FFAELP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)C12CCOCC2 ZINC000249067309 509591120 /nfs/dbraw/zinc/59/11/20/509591120.db2.gz ZOMNEWDQMFCXCL-BVOGOJNSSA-N 2 2 373.541 2.856 10 0 FFAELP O=C(NC1CC1)[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000170778906 509773828 /nfs/dbraw/zinc/77/38/28/509773828.db2.gz UOMXGVXQJFZTBD-QRWLVFNGSA-N 2 2 368.456 2.974 10 0 FFAELP O=C(NC1CC1)[C@H](c1ccc(F)cc1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000170778906 509773837 /nfs/dbraw/zinc/77/38/37/509773837.db2.gz UOMXGVXQJFZTBD-QRWLVFNGSA-N 2 2 368.456 2.974 10 0 FFAELP Nc1ccc(F)c(NC(=O)CC[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000177034514 509829900 /nfs/dbraw/zinc/82/99/00/509829900.db2.gz ZKDCJTCYOIYELQ-AWEZNQCLSA-N 2 2 357.433 2.566 10 0 FFAELP Nc1ccc(F)c(NC(=O)CC[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000177034514 509829902 /nfs/dbraw/zinc/82/99/02/509829902.db2.gz ZKDCJTCYOIYELQ-AWEZNQCLSA-N 2 2 357.433 2.566 10 0 FFAELP C[C@H](NC(=O)CCCC[NH+]1CCOCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173914431 509851927 /nfs/dbraw/zinc/85/19/27/509851927.db2.gz UCOUSCTVVYSGCV-KRWDZBQOSA-N 2 2 356.470 2.552 10 0 FFAELP C[N@H+]1C[C@@H]2C[NH+]([C@@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)C[C@@H]2C1 ZINC000193652720 510006691 /nfs/dbraw/zinc/00/66/91/510006691.db2.gz NUJVNPUNPPOUFO-BFQNTYOBSA-N 2 2 354.281 2.592 10 0 FFAELP C[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)C[C@@H]2C1 ZINC000193652720 510006696 /nfs/dbraw/zinc/00/66/96/510006696.db2.gz NUJVNPUNPPOUFO-BFQNTYOBSA-N 2 2 354.281 2.592 10 0 FFAELP C[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)C[C@@H]2C1 ZINC000193652720 510006699 /nfs/dbraw/zinc/00/66/99/510006699.db2.gz NUJVNPUNPPOUFO-BFQNTYOBSA-N 2 2 354.281 2.592 10 0 FFAELP C[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)C[C@@H]2C1 ZINC000193652720 510006705 /nfs/dbraw/zinc/00/67/05/510006705.db2.gz NUJVNPUNPPOUFO-BFQNTYOBSA-N 2 2 354.281 2.592 10 0 FFAELP C[NH+](C)[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000245674578 510075250 /nfs/dbraw/zinc/07/52/50/510075250.db2.gz FOVCSEIDWFEZLF-KBRIMQKVSA-N 2 2 368.884 2.570 10 0 FFAELP C[NH+](C)[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000245674578 510075254 /nfs/dbraw/zinc/07/52/54/510075254.db2.gz FOVCSEIDWFEZLF-KBRIMQKVSA-N 2 2 368.884 2.570 10 0 FFAELP C[C@@H](C(=O)NCCc1ccc(F)cc1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246061296 510270933 /nfs/dbraw/zinc/27/09/33/510270933.db2.gz AKKLWGFGMDCJSN-WMZOPIPTSA-N 2 2 370.472 2.702 10 0 FFAELP C[C@@H](C(=O)NCCc1ccc(F)cc1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246061296 510270940 /nfs/dbraw/zinc/27/09/40/510270940.db2.gz AKKLWGFGMDCJSN-WMZOPIPTSA-N 2 2 370.472 2.702 10 0 FFAELP CC(C)(C)c1cc(NC(=O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)on1 ZINC000171644871 510274905 /nfs/dbraw/zinc/27/49/05/510274905.db2.gz WEVAWWWZGLFIKM-AWEZNQCLSA-N 2 2 357.458 2.740 10 0 FFAELP CC(C)(C)c1cc(NC(=O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)on1 ZINC000171644871 510274912 /nfs/dbraw/zinc/27/49/12/510274912.db2.gz WEVAWWWZGLFIKM-AWEZNQCLSA-N 2 2 357.458 2.740 10 0 FFAELP O=C(NCC[N@@H+]1CCCOCC1)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000187467950 510284622 /nfs/dbraw/zinc/28/46/22/510284622.db2.gz MWYXGTYBJWGJBX-UHFFFAOYSA-N 2 2 371.485 2.607 10 0 FFAELP O=C(NCC[N@H+]1CCCOCC1)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000187467950 510284633 /nfs/dbraw/zinc/28/46/33/510284633.db2.gz MWYXGTYBJWGJBX-UHFFFAOYSA-N 2 2 371.485 2.607 10 0 FFAELP C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000246198450 510355824 /nfs/dbraw/zinc/35/58/24/510355824.db2.gz AQQACVNCFGPNMQ-IEBWSBKVSA-N 2 2 369.513 2.900 10 0 FFAELP C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000246198450 510355833 /nfs/dbraw/zinc/35/58/33/510355833.db2.gz AQQACVNCFGPNMQ-IEBWSBKVSA-N 2 2 369.513 2.900 10 0 FFAELP CCCCN(CCCC)C(=O)C[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174880276 510360940 /nfs/dbraw/zinc/36/09/40/510360940.db2.gz HUDJYQTYVYTCQF-FQEVSTJZSA-N 2 2 366.594 2.517 10 0 FFAELP CCCCN(CCCC)C(=O)C[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174880276 510360948 /nfs/dbraw/zinc/36/09/48/510360948.db2.gz HUDJYQTYVYTCQF-FQEVSTJZSA-N 2 2 366.594 2.517 10 0 FFAELP O=C(NC1CC1)[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000246233974 510380025 /nfs/dbraw/zinc/38/00/25/510380025.db2.gz UOMXGVXQJFZTBD-FOIQADDNSA-N 2 2 368.456 2.974 10 0 FFAELP O=C(NC1CC1)[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000246233974 510380035 /nfs/dbraw/zinc/38/00/35/510380035.db2.gz UOMXGVXQJFZTBD-FOIQADDNSA-N 2 2 368.456 2.974 10 0 FFAELP CCOC(=O)C1CCC(O)(C[N@@H+]2CCC[C@H](n3cc[nH+]c3CC)C2)CC1 ZINC000190868841 510384199 /nfs/dbraw/zinc/38/41/99/510384199.db2.gz DAHJLOUZLKIERR-GNZRSQJKSA-N 2 2 363.502 2.567 10 0 FFAELP CCOC(=O)C1CCC(O)(C[N@H+]2CCC[C@H](n3cc[nH+]c3CC)C2)CC1 ZINC000190868841 510384203 /nfs/dbraw/zinc/38/42/03/510384203.db2.gz DAHJLOUZLKIERR-GNZRSQJKSA-N 2 2 363.502 2.567 10 0 FFAELP COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2C[N@H+](C(C)C)C[C@H]2C)c(OC)c1 ZINC000246415934 510478504 /nfs/dbraw/zinc/47/85/04/510478504.db2.gz MWJPBJXXTDLUJW-RVKKMQEKSA-N 2 2 363.502 2.739 10 0 FFAELP Cc1ccc([C@H]2C[N@H+](C[C@@H](O)Cn3c[nH+]c4cc(C)c(C)cc43)CCO2)o1 ZINC000246488059 510515363 /nfs/dbraw/zinc/51/53/63/510515363.db2.gz JWNJUVBZUADBJN-DYESRHJHSA-N 2 2 369.465 2.989 10 0 FFAELP Cc1ccc([C@H]2C[N@@H+](C[C@@H](O)Cn3c[nH+]c4cc(C)c(C)cc43)CCO2)o1 ZINC000246488059 510515371 /nfs/dbraw/zinc/51/53/71/510515371.db2.gz JWNJUVBZUADBJN-DYESRHJHSA-N 2 2 369.465 2.989 10 0 FFAELP C[C@H](NC(=O)NCC[N@@H+]1CCC[C@@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000175478736 510659070 /nfs/dbraw/zinc/65/90/70/510659070.db2.gz NWQWQRMIMHFTPK-SJORKVTESA-N 2 2 355.486 2.964 10 0 FFAELP C[C@H](NC(=O)NCC[N@H+]1CCC[C@@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000175478736 510659075 /nfs/dbraw/zinc/65/90/75/510659075.db2.gz NWQWQRMIMHFTPK-SJORKVTESA-N 2 2 355.486 2.964 10 0 FFAELP Cc1ccc2c(c1)[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)[C@H](C)C2 ZINC000181947430 510674364 /nfs/dbraw/zinc/67/43/64/510674364.db2.gz KOAZWKONPDFZLV-DYESRHJHSA-N 2 2 372.557 2.896 10 0 FFAELP Cc1ccc2c(c1)[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)[C@H](C)C2 ZINC000181947430 510674373 /nfs/dbraw/zinc/67/43/73/510674373.db2.gz KOAZWKONPDFZLV-DYESRHJHSA-N 2 2 372.557 2.896 10 0 FFAELP COc1ccccc1CN(C)C(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246913389 510740418 /nfs/dbraw/zinc/74/04/18/510740418.db2.gz SCYPAZUOGOJGFP-FXAWDEMLSA-N 2 2 371.525 2.602 10 0 FFAELP COc1ccccc1CN(C)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246913389 510740423 /nfs/dbraw/zinc/74/04/23/510740423.db2.gz SCYPAZUOGOJGFP-FXAWDEMLSA-N 2 2 371.525 2.602 10 0 FFAELP COc1ccccc1CN(C)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246913389 510740428 /nfs/dbraw/zinc/74/04/28/510740428.db2.gz SCYPAZUOGOJGFP-FXAWDEMLSA-N 2 2 371.525 2.602 10 0 FFAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](CC(=O)N2CCCCCC2)C1 ZINC000195257156 510741052 /nfs/dbraw/zinc/74/10/52/510741052.db2.gz QZDUUJTYWHCWJV-QGZVFWFLSA-N 2 2 364.559 2.608 10 0 FFAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N2CCCCCC2)C1 ZINC000195257156 510741060 /nfs/dbraw/zinc/74/10/60/510741060.db2.gz QZDUUJTYWHCWJV-QGZVFWFLSA-N 2 2 364.559 2.608 10 0 FFAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](CC(=O)N2CCCCCC2)C1 ZINC000195257156 510741068 /nfs/dbraw/zinc/74/10/68/510741068.db2.gz QZDUUJTYWHCWJV-QGZVFWFLSA-N 2 2 364.559 2.608 10 0 FFAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N2CCCCCC2)C1 ZINC000195257156 510741077 /nfs/dbraw/zinc/74/10/77/510741077.db2.gz QZDUUJTYWHCWJV-QGZVFWFLSA-N 2 2 364.559 2.608 10 0 FFAELP CC(=O)Nc1cccc(NC(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246921464 510747250 /nfs/dbraw/zinc/74/72/50/510747250.db2.gz SMYBMUHXBBQYHN-OXJNMPFZSA-N 2 2 370.497 2.532 10 0 FFAELP CC(=O)Nc1cccc(NC(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246921464 510747260 /nfs/dbraw/zinc/74/72/60/510747260.db2.gz SMYBMUHXBBQYHN-OXJNMPFZSA-N 2 2 370.497 2.532 10 0 FFAELP CC(=O)Nc1cccc(NC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246921464 510747267 /nfs/dbraw/zinc/74/72/67/510747267.db2.gz SMYBMUHXBBQYHN-OXJNMPFZSA-N 2 2 370.497 2.532 10 0 FFAELP CC(=O)Nc1cccc(NC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246921464 510747273 /nfs/dbraw/zinc/74/72/73/510747273.db2.gz SMYBMUHXBBQYHN-OXJNMPFZSA-N 2 2 370.497 2.532 10 0 FFAELP CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2C)c[nH+]1 ZINC000175738111 510762597 /nfs/dbraw/zinc/76/25/97/510762597.db2.gz VXHJAZPXNJHXJR-GOSISDBHSA-N 2 2 370.501 2.807 10 0 FFAELP CN(C)C(=O)c1cccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000195293559 510766020 /nfs/dbraw/zinc/76/60/20/510766020.db2.gz KYSQISRZBGQMSN-FQEVSTJZSA-N 2 2 366.509 2.737 10 0 FFAELP CN(C)C(=O)c1cccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000195293559 510766026 /nfs/dbraw/zinc/76/60/26/510766026.db2.gz KYSQISRZBGQMSN-FQEVSTJZSA-N 2 2 366.509 2.737 10 0 FFAELP CN(C)C(=O)c1cccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)c1 ZINC000195293559 510766030 /nfs/dbraw/zinc/76/60/30/510766030.db2.gz KYSQISRZBGQMSN-FQEVSTJZSA-N 2 2 366.509 2.737 10 0 FFAELP CN(C)C(=O)c1cccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)c1 ZINC000195293559 510766035 /nfs/dbraw/zinc/76/60/35/510766035.db2.gz KYSQISRZBGQMSN-FQEVSTJZSA-N 2 2 366.509 2.737 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000247813889 510871100 /nfs/dbraw/zinc/87/11/00/510871100.db2.gz VSJZZZOAGYNTIN-ZBFHGGJFSA-N 2 2 370.453 2.838 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000247813889 510871101 /nfs/dbraw/zinc/87/11/01/510871101.db2.gz VSJZZZOAGYNTIN-ZBFHGGJFSA-N 2 2 370.453 2.838 10 0 FFAELP CC(C)n1cc(C[NH2+]C[C@@H]2CCC[N@H+](C3CC3)[C@H]2c2ccnn2C)cn1 ZINC000284584862 511781070 /nfs/dbraw/zinc/78/10/70/511781070.db2.gz PWBVPUGQQGFEEK-FXAWDEMLSA-N 2 2 356.518 2.903 10 0 FFAELP CC(C)n1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C3CC3)[C@H]2c2ccnn2C)cn1 ZINC000284584862 511781072 /nfs/dbraw/zinc/78/10/72/511781072.db2.gz PWBVPUGQQGFEEK-FXAWDEMLSA-N 2 2 356.518 2.903 10 0 FFAELP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2ccc(CO)cc2)[C@@H]1c1cnn(C)c1 ZINC000328634646 511901134 /nfs/dbraw/zinc/90/11/34/511901134.db2.gz MVPHGYPATFLDRJ-PZJWPPBQSA-N 2 2 356.514 2.817 10 0 FFAELP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2ccc(CO)cc2)[C@@H]1c1cnn(C)c1 ZINC000328634646 511901139 /nfs/dbraw/zinc/90/11/39/511901139.db2.gz MVPHGYPATFLDRJ-PZJWPPBQSA-N 2 2 356.514 2.817 10 0 FFAELP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2ccc(CO)cc2)[C@@H]1c1cnn(C)c1 ZINC000328634646 511901145 /nfs/dbraw/zinc/90/11/45/511901145.db2.gz MVPHGYPATFLDRJ-PZJWPPBQSA-N 2 2 356.514 2.817 10 0 FFAELP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2ccc(CO)cc2)[C@@H]1c1cnn(C)c1 ZINC000328634646 511901150 /nfs/dbraw/zinc/90/11/50/511901150.db2.gz MVPHGYPATFLDRJ-PZJWPPBQSA-N 2 2 356.514 2.817 10 0 FFAELP Brc1cc2c(s1)CC[C@@H]2[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000312855484 729743925 /nfs/dbraw/zinc/74/39/25/729743925.db2.gz GXDMBSJRKLNZCD-GVXVVHGQSA-N 2 2 357.317 2.951 10 0 FFAELP Brc1cc2c(s1)CC[C@@H]2[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000312855484 729743927 /nfs/dbraw/zinc/74/39/27/729743927.db2.gz GXDMBSJRKLNZCD-GVXVVHGQSA-N 2 2 357.317 2.951 10 0 FFAELP CC(C)[C@@H]1OCCC[C@H]1Nc1cc[nH+]c(NC[C@@H]2CCCn3cc[nH+]c32)n1 ZINC000333243917 1007422794 /nfs/dbraw/zinc/42/27/94/1007422794.db2.gz IYFPWPAYUXLLSI-JZXOWHBKSA-N 2 2 370.501 3.278 10 0 FFAELP CCn1ncnc1[C@H](C)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)c(OC)c1 ZINC000055244969 205212037 /nfs/dbraw/zinc/21/20/37/205212037.db2.gz QRMAISUPCKCEEU-INIZCTEOSA-N 2 2 373.501 2.632 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NCc2ccccc2F)C1 ZINC000106213821 250255783 /nfs/dbraw/zinc/25/57/83/250255783.db2.gz ICTGVEHHWIKQIM-DOTOQJQBSA-N 2 2 358.461 2.926 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NCc2ccccc2F)C1 ZINC000106213821 250255786 /nfs/dbraw/zinc/25/57/86/250255786.db2.gz ICTGVEHHWIKQIM-DOTOQJQBSA-N 2 2 358.461 2.926 10 0 FFAELP CCOC(=O)c1c[nH+]c2c(C)c(C)ccc2c1N1CCO[C@@H](C[NH+](C)C)C1 ZINC000301671350 258062322 /nfs/dbraw/zinc/06/23/22/258062322.db2.gz NZVRCFVLFHQWIZ-INIZCTEOSA-N 2 2 371.481 2.795 10 0 FFAELP Cc1cn2c([nH+]1)[C@@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)CCC2 ZINC000332692879 258240142 /nfs/dbraw/zinc/24/01/42/258240142.db2.gz VEMRRHOUIMPWGL-QZTJIDSGSA-N 2 2 359.518 2.729 10 0 FFAELP Cn1cc[nH+]c1[C@H](NC(=O)NCCCC[NH+]1CCCC1)c1cccc(F)c1 ZINC000045265190 506941656 /nfs/dbraw/zinc/94/16/56/506941656.db2.gz LTHXNEFHNZVGAG-GOSISDBHSA-N 2 2 373.476 2.824 10 0 FFAELP Cc1ccc(N2CCC(NC(=O)NC[C@H](c3ccco3)[NH+](C)C)CC2)[nH+]c1 ZINC000073442944 507922151 /nfs/dbraw/zinc/92/21/51/507922151.db2.gz RREILQLYRPTVBA-QGZVFWFLSA-N 2 2 371.485 2.554 10 0 FFAELP Cc1ccc(N2CCC(NC(=O)CCn3cc[nH+]c3C(C)C)CC2)[nH+]c1 ZINC000073944019 507969390 /nfs/dbraw/zinc/96/93/90/507969390.db2.gz JBJICTRMXRPAMQ-UHFFFAOYSA-N 2 2 355.486 2.885 10 0 FFAELP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cc(F)cc3cccnc32)CC1 ZINC000109754810 507985054 /nfs/dbraw/zinc/98/50/54/507985054.db2.gz VBXIPDJGDKRRRJ-FQEVSTJZSA-N 2 2 356.489 2.976 10 0 FFAELP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cc(F)cc3cccnc32)CC1 ZINC000109754810 507985057 /nfs/dbraw/zinc/98/50/57/507985057.db2.gz VBXIPDJGDKRRRJ-FQEVSTJZSA-N 2 2 356.489 2.976 10 0 FFAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+](C)[C@@H](C)C(=O)OC(C)(C)C)c2cc1C ZINC000081578217 508192977 /nfs/dbraw/zinc/19/29/77/508192977.db2.gz CMDPJFLIZMCOCM-HOTGVXAUSA-N 2 2 361.486 2.676 10 0 FFAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)OC(C)(C)C)c2cc1C ZINC000081578217 508192978 /nfs/dbraw/zinc/19/29/78/508192978.db2.gz CMDPJFLIZMCOCM-HOTGVXAUSA-N 2 2 361.486 2.676 10 0 FFAELP Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000127735661 508492782 /nfs/dbraw/zinc/49/27/82/508492782.db2.gz DSPNDBCJQFDXIZ-UHFFFAOYSA-N 2 2 362.518 2.512 10 0 FFAELP C[C@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000151098941 508956072 /nfs/dbraw/zinc/95/60/72/508956072.db2.gz DOXMDSAOEQPWHH-QZTJIDSGSA-N 2 2 364.493 2.789 10 0 FFAELP C[C@H](C(=O)N1CCc2ccccc2C1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000151098941 508956074 /nfs/dbraw/zinc/95/60/74/508956074.db2.gz DOXMDSAOEQPWHH-QZTJIDSGSA-N 2 2 364.493 2.789 10 0 FFAELP Cc1c([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)cnn1-c1ccc(F)cc1 ZINC000151276946 508991993 /nfs/dbraw/zinc/99/19/93/508991993.db2.gz HERNLUCPOAHWRF-HNAYVOBHSA-N 2 2 360.477 2.817 10 0 FFAELP CCOc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)cc1OCC ZINC000151341852 509001837 /nfs/dbraw/zinc/00/18/37/509001837.db2.gz XZPTVIOXYBVDJZ-WMZOPIPTSA-N 2 2 350.503 2.981 10 0 FFAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](Cc3ccc([C@@H]4C[C@H]4C)o3)CC2)C1 ZINC000121051263 509117748 /nfs/dbraw/zinc/11/77/48/509117748.db2.gz RNZLSGVHJVNGSL-MISYRCLQSA-N 2 2 361.530 2.630 10 0 FFAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](Cc3ccc([C@@H]4C[C@H]4C)o3)CC2)C1 ZINC000121051263 509117750 /nfs/dbraw/zinc/11/77/50/509117750.db2.gz RNZLSGVHJVNGSL-MISYRCLQSA-N 2 2 361.530 2.630 10 0 FFAELP c1cn(CCC[NH+]2CCN(Cc3nc(-c4ccccc4)co3)CC2)c[nH+]1 ZINC000182758422 509414698 /nfs/dbraw/zinc/41/46/98/509414698.db2.gz CQIZQBIULHNBRX-UHFFFAOYSA-N 2 2 351.454 2.746 10 0 FFAELP CC(C)C[C@@H](C)N(C)C(=O)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248653345 509420179 /nfs/dbraw/zinc/42/01/79/509420179.db2.gz OQPDHGCOQCHYGV-QUCCMNQESA-N 2 2 360.546 2.728 10 0 FFAELP CC(C)C[C@@H](C)N(C)C(=O)C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248653345 509420183 /nfs/dbraw/zinc/42/01/83/509420183.db2.gz OQPDHGCOQCHYGV-QUCCMNQESA-N 2 2 360.546 2.728 10 0 FFAELP CC(C)C[C@@H](C)N(C)C(=O)C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248653345 509420188 /nfs/dbraw/zinc/42/01/88/509420188.db2.gz OQPDHGCOQCHYGV-QUCCMNQESA-N 2 2 360.546 2.728 10 0 FFAELP CC(C)C[C@@H](C)N(C)C(=O)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248653345 509420193 /nfs/dbraw/zinc/42/01/93/509420193.db2.gz OQPDHGCOQCHYGV-QUCCMNQESA-N 2 2 360.546 2.728 10 0 FFAELP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)C1 ZINC000248796865 509487066 /nfs/dbraw/zinc/48/70/66/509487066.db2.gz JHABYWOJJMQCAQ-JFIYKMOQSA-N 2 2 364.559 2.865 10 0 FFAELP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)C1 ZINC000248796865 509487077 /nfs/dbraw/zinc/48/70/77/509487077.db2.gz JHABYWOJJMQCAQ-JFIYKMOQSA-N 2 2 364.559 2.865 10 0 FFAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H]2CCc3c(cccc3OC)C2)nc[nH+]1 ZINC000192445279 509519460 /nfs/dbraw/zinc/51/94/60/509519460.db2.gz TTZRPGVKXKZGAT-SJORKVTESA-N 2 2 367.497 2.643 10 0 FFAELP C[N@H+](CCCn1cc[nH+]c1)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000183175611 509641221 /nfs/dbraw/zinc/64/12/21/509641221.db2.gz RRDQWPTUZOWMEV-OAQYLSRUSA-N 3 2 356.514 2.651 10 0 FFAELP C[N@@H+](CCCn1cc[nH+]c1)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000183175611 509641226 /nfs/dbraw/zinc/64/12/26/509641226.db2.gz RRDQWPTUZOWMEV-OAQYLSRUSA-N 3 2 356.514 2.651 10 0 FFAELP C[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000249601264 509723300 /nfs/dbraw/zinc/72/33/00/509723300.db2.gz OJWPRLXQCHXKTH-LEAZDLGRSA-N 2 2 365.562 2.597 10 0 FFAELP C[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000249601264 509723305 /nfs/dbraw/zinc/72/33/05/509723305.db2.gz OJWPRLXQCHXKTH-LEAZDLGRSA-N 2 2 365.562 2.597 10 0 FFAELP O[C@@H](C[NH2+]Cc1cnc(-c2ccco2)s1)C[N@@H+]1CCc2ccccc2C1 ZINC000193001041 509732126 /nfs/dbraw/zinc/73/21/26/509732126.db2.gz HFPDEHNIBJONNR-KRWDZBQOSA-N 2 2 369.490 2.912 10 0 FFAELP O[C@@H](C[NH2+]Cc1cnc(-c2ccco2)s1)C[N@H+]1CCc2ccccc2C1 ZINC000193001041 509732134 /nfs/dbraw/zinc/73/21/34/509732134.db2.gz HFPDEHNIBJONNR-KRWDZBQOSA-N 2 2 369.490 2.912 10 0 FFAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2nc3ccccc3n2C)nc[nH+]1 ZINC000180166099 509789075 /nfs/dbraw/zinc/78/90/75/509789075.db2.gz CIBKVNPLWSGOND-CABCVRRESA-N 2 2 365.485 2.725 10 0 FFAELP C[C@@H](NC(=O)CCCC[NH+]1CCOCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173914445 509851621 /nfs/dbraw/zinc/85/16/21/509851621.db2.gz UCOUSCTVVYSGCV-QGZVFWFLSA-N 2 2 356.470 2.552 10 0 FFAELP NC(=O)[C@H](Cc1ccc(Cl)cc1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000183623175 509890908 /nfs/dbraw/zinc/89/09/08/509890908.db2.gz AOPKDBKUQQRQLI-RDJZCZTQSA-N 2 2 358.873 2.565 10 0 FFAELP NC(=O)[C@H](Cc1ccc(Cl)cc1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000183623175 509890912 /nfs/dbraw/zinc/89/09/12/509890912.db2.gz AOPKDBKUQQRQLI-RDJZCZTQSA-N 2 2 358.873 2.565 10 0 FFAELP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000177175398 509919598 /nfs/dbraw/zinc/91/95/98/509919598.db2.gz YMMXYWCYJAJVSI-IBGZPJMESA-N 2 2 367.497 2.803 10 0 FFAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2ccc(F)c(OC)c2)nc[nH+]1 ZINC000180567868 509988569 /nfs/dbraw/zinc/98/85/69/509988569.db2.gz ACKVDMXGDDJEQK-HIFRSBDPSA-N 2 2 359.449 2.986 10 0 FFAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2cc(OC)ccc2OC)nc[nH+]1 ZINC000180573986 509991976 /nfs/dbraw/zinc/99/19/76/509991976.db2.gz LBLTVXVTEYCBMN-LSDHHAIUSA-N 2 2 371.485 2.855 10 0 FFAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2ccc(OC)cc2F)nc[nH+]1 ZINC000180576366 509993970 /nfs/dbraw/zinc/99/39/70/509993970.db2.gz KTQTWNOZQAAXQP-KBPBESRZSA-N 2 2 359.449 2.986 10 0 FFAELP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCC(=O)c2ccc(F)cc2F)CC1 ZINC000187005479 510001413 /nfs/dbraw/zinc/00/14/13/510001413.db2.gz VIHUSXZFKGGABV-KRWDZBQOSA-N 2 2 365.468 2.640 10 0 FFAELP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCC(=O)c2ccc(F)cc2F)CC1 ZINC000187005479 510001419 /nfs/dbraw/zinc/00/14/19/510001419.db2.gz VIHUSXZFKGGABV-KRWDZBQOSA-N 2 2 365.468 2.640 10 0 FFAELP CCn1cc[nH+]c1CN(C(=O)COC1CCCCC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000261666477 510019343 /nfs/dbraw/zinc/01/93/43/510019343.db2.gz OLDOFYZVTXURJS-GOSISDBHSA-N 2 2 374.529 2.723 10 0 FFAELP CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)C1 ZINC000184218788 510199053 /nfs/dbraw/zinc/19/90/53/510199053.db2.gz TZNPHCFKAJUIMX-DOTOQJQBSA-N 2 2 350.532 2.621 10 0 FFAELP CC[N@H+]1CCC[C@@H](NC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)C1 ZINC000184218788 510199065 /nfs/dbraw/zinc/19/90/65/510199065.db2.gz TZNPHCFKAJUIMX-DOTOQJQBSA-N 2 2 350.532 2.621 10 0 FFAELP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000245930966 510213357 /nfs/dbraw/zinc/21/33/57/510213357.db2.gz IEHXXNZTPQFIHN-WMZOPIPTSA-N 2 2 371.460 2.637 10 0 FFAELP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000245930966 510213364 /nfs/dbraw/zinc/21/33/64/510213364.db2.gz IEHXXNZTPQFIHN-WMZOPIPTSA-N 2 2 371.460 2.637 10 0 FFAELP CC[C@@H]1CN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC[N@@H+]1C[C@@H](C)O ZINC000174645707 510227486 /nfs/dbraw/zinc/22/74/86/510227486.db2.gz AQXLPFAKEZJIGE-SJLPKXTDSA-N 2 2 369.465 2.791 10 0 FFAELP CC[C@@H]1CN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC[N@H+]1C[C@@H](C)O ZINC000174645707 510227492 /nfs/dbraw/zinc/22/74/92/510227492.db2.gz AQXLPFAKEZJIGE-SJLPKXTDSA-N 2 2 369.465 2.791 10 0 FFAELP O=C(C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)NCCCOC1CCCCC1 ZINC000171641709 510269738 /nfs/dbraw/zinc/26/97/38/510269738.db2.gz SMKFOGWWGIKBOA-GOSISDBHSA-N 2 2 374.529 2.671 10 0 FFAELP O=C(C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)NCCCOC1CCCCC1 ZINC000171641709 510269744 /nfs/dbraw/zinc/26/97/44/510269744.db2.gz SMKFOGWWGIKBOA-GOSISDBHSA-N 2 2 374.529 2.671 10 0 FFAELP C[C@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171646587 510274434 /nfs/dbraw/zinc/27/44/34/510274434.db2.gz NXIMVZXPUBTMLU-IEBWSBKVSA-N 2 2 352.482 2.863 10 0 FFAELP C[C@H](C(=O)N(C)Cc1ccccc1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171646587 510274440 /nfs/dbraw/zinc/27/44/40/510274440.db2.gz NXIMVZXPUBTMLU-IEBWSBKVSA-N 2 2 352.482 2.863 10 0 FFAELP CC(=O)c1cccc(NC(=O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000171648278 510278757 /nfs/dbraw/zinc/27/87/57/510278757.db2.gz AZYMOEQVWQSZLC-MRXNPFEDSA-N 2 2 352.438 2.657 10 0 FFAELP CC(=O)c1cccc(NC(=O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000171648278 510278763 /nfs/dbraw/zinc/27/87/63/510278763.db2.gz AZYMOEQVWQSZLC-MRXNPFEDSA-N 2 2 352.438 2.657 10 0 FFAELP CCCC[N@@H+]1CCOC[C@@H]1C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000184428381 510320515 /nfs/dbraw/zinc/32/05/15/510320515.db2.gz KEJNCXHMPIDXIH-HXUWFJFHSA-N 2 2 372.513 2.642 10 0 FFAELP CCCC[N@H+]1CCOC[C@@H]1C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000184428381 510320518 /nfs/dbraw/zinc/32/05/18/510320518.db2.gz KEJNCXHMPIDXIH-HXUWFJFHSA-N 2 2 372.513 2.642 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NC(=O)Nc2ccccc2)C1 ZINC000246267367 510398031 /nfs/dbraw/zinc/39/80/31/510398031.db2.gz GYSLZWPPSVIQKE-NVXWUHKLSA-N 2 2 369.469 2.819 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)NC(=O)Nc2ccccc2)C1 ZINC000246267367 510398038 /nfs/dbraw/zinc/39/80/38/510398038.db2.gz GYSLZWPPSVIQKE-NVXWUHKLSA-N 2 2 369.469 2.819 10 0 FFAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](CC(=O)NCc2ccccc2)C1 ZINC000195253013 510738656 /nfs/dbraw/zinc/73/86/56/510738656.db2.gz MFUSRFHAGJJJRX-SFHVURJKSA-N 2 2 372.538 2.522 10 0 FFAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)NCc2ccccc2)C1 ZINC000195253013 510738661 /nfs/dbraw/zinc/73/86/61/510738661.db2.gz MFUSRFHAGJJJRX-SFHVURJKSA-N 2 2 372.538 2.522 10 0 FFAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NCc2ccccc2)C1 ZINC000195253013 510738670 /nfs/dbraw/zinc/73/86/70/510738670.db2.gz MFUSRFHAGJJJRX-SFHVURJKSA-N 2 2 372.538 2.522 10 0 FFAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NCc2ccccc2)C1 ZINC000195253013 510738676 /nfs/dbraw/zinc/73/86/76/510738676.db2.gz MFUSRFHAGJJJRX-SFHVURJKSA-N 2 2 372.538 2.522 10 0 FFAELP CNC(=O)c1cccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3scnc3C)C2)c1 ZINC000195261342 510744734 /nfs/dbraw/zinc/74/47/34/510744734.db2.gz KIRWUULAHSLZPK-QGZVFWFLSA-N 2 2 372.538 2.765 10 0 FFAELP CNC(=O)c1cccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3scnc3C)C2)c1 ZINC000195261342 510744739 /nfs/dbraw/zinc/74/47/39/510744739.db2.gz KIRWUULAHSLZPK-QGZVFWFLSA-N 2 2 372.538 2.765 10 0 FFAELP CNC(=O)c1cccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3scnc3C)C2)c1 ZINC000195261342 510744742 /nfs/dbraw/zinc/74/47/42/510744742.db2.gz KIRWUULAHSLZPK-QGZVFWFLSA-N 2 2 372.538 2.765 10 0 FFAELP CNC(=O)c1cccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3scnc3C)C2)c1 ZINC000195261342 510744744 /nfs/dbraw/zinc/74/47/44/510744744.db2.gz KIRWUULAHSLZPK-QGZVFWFLSA-N 2 2 372.538 2.765 10 0 FFAELP COC(=O)c1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)cc1F ZINC000195270749 510749913 /nfs/dbraw/zinc/74/99/13/510749913.db2.gz LQZRRUKRJSVSTK-GOSISDBHSA-N 2 2 371.456 2.961 10 0 FFAELP COC(=O)c1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)cc1F ZINC000195270749 510749919 /nfs/dbraw/zinc/74/99/19/510749919.db2.gz LQZRRUKRJSVSTK-GOSISDBHSA-N 2 2 371.456 2.961 10 0 FFAELP COC(=O)c1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)cc1F ZINC000195270749 510749926 /nfs/dbraw/zinc/74/99/26/510749926.db2.gz LQZRRUKRJSVSTK-GOSISDBHSA-N 2 2 371.456 2.961 10 0 FFAELP COC(=O)c1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)cc1F ZINC000195270749 510749933 /nfs/dbraw/zinc/74/99/33/510749933.db2.gz LQZRRUKRJSVSTK-GOSISDBHSA-N 2 2 371.456 2.961 10 0 FFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000178747710 510752255 /nfs/dbraw/zinc/75/22/55/510752255.db2.gz KDLXTPYFRJLRLM-INIZCTEOSA-N 2 2 357.845 2.517 10 0 FFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000178747710 510752264 /nfs/dbraw/zinc/75/22/64/510752264.db2.gz KDLXTPYFRJLRLM-INIZCTEOSA-N 2 2 357.845 2.517 10 0 FFAELP C[C@@H](C(=O)NC1CCCCC1)[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195277394 510753771 /nfs/dbraw/zinc/75/37/71/510753771.db2.gz AALDEZNBBFMHSQ-PKOBYXMFSA-N 2 2 358.530 2.673 10 0 FFAELP C[C@@H](C(=O)NC1CCCCC1)[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195277394 510753779 /nfs/dbraw/zinc/75/37/79/510753779.db2.gz AALDEZNBBFMHSQ-PKOBYXMFSA-N 2 2 358.530 2.673 10 0 FFAELP C[C@@H](C(=O)NC1CCCCC1)[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195277394 510753786 /nfs/dbraw/zinc/75/37/86/510753786.db2.gz AALDEZNBBFMHSQ-PKOBYXMFSA-N 2 2 358.530 2.673 10 0 FFAELP C[C@@H](C(=O)NC1CCCCC1)[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195277394 510753792 /nfs/dbraw/zinc/75/37/92/510753792.db2.gz AALDEZNBBFMHSQ-PKOBYXMFSA-N 2 2 358.530 2.673 10 0 FFAELP CCOC(=O)c1c(C)[nH]c(C(=O)C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1C ZINC000178751971 510754424 /nfs/dbraw/zinc/75/44/24/510754424.db2.gz QSJXQPJFHNJQOO-MRXNPFEDSA-N 2 2 372.469 2.660 10 0 FFAELP CCOC(=O)c1c(C)[nH]c(C(=O)C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1C ZINC000178751971 510754431 /nfs/dbraw/zinc/75/44/31/510754431.db2.gz QSJXQPJFHNJQOO-MRXNPFEDSA-N 2 2 372.469 2.660 10 0 FFAELP C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195298074 510769274 /nfs/dbraw/zinc/76/92/74/510769274.db2.gz FWUCISGIEKECCQ-MISYRCLQSA-N 2 2 358.530 2.530 10 0 FFAELP C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195298074 510769285 /nfs/dbraw/zinc/76/92/85/510769285.db2.gz FWUCISGIEKECCQ-MISYRCLQSA-N 2 2 358.530 2.530 10 0 FFAELP C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195298074 510769292 /nfs/dbraw/zinc/76/92/92/510769292.db2.gz FWUCISGIEKECCQ-MISYRCLQSA-N 2 2 358.530 2.530 10 0 FFAELP C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195298074 510769300 /nfs/dbraw/zinc/76/93/00/510769300.db2.gz FWUCISGIEKECCQ-MISYRCLQSA-N 2 2 358.530 2.530 10 0 FFAELP C[C@H](C(=O)Nc1ccccc1)[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195297192 510769910 /nfs/dbraw/zinc/76/99/10/510769910.db2.gz MRULKELBNYWTAR-IEBWSBKVSA-N 2 2 352.482 2.863 10 0 FFAELP C[C@H](C(=O)Nc1ccccc1)[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195297192 510769914 /nfs/dbraw/zinc/76/99/14/510769914.db2.gz MRULKELBNYWTAR-IEBWSBKVSA-N 2 2 352.482 2.863 10 0 FFAELP C[C@H](C(=O)Nc1ccccc1)[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195297192 510769920 /nfs/dbraw/zinc/76/99/20/510769920.db2.gz MRULKELBNYWTAR-IEBWSBKVSA-N 2 2 352.482 2.863 10 0 FFAELP C[C@H](C(=O)Nc1ccccc1)[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195297192 510769924 /nfs/dbraw/zinc/76/99/24/510769924.db2.gz MRULKELBNYWTAR-IEBWSBKVSA-N 2 2 352.482 2.863 10 0 FFAELP C[C@H]1CC[N@H+](CC(=O)N2CCSc3ccccc32)C[C@H]1n1cc[nH+]c1 ZINC000247448697 510861210 /nfs/dbraw/zinc/86/12/10/510861210.db2.gz JCKUERYOKNVRIH-DOTOQJQBSA-N 2 2 356.495 2.905 10 0 FFAELP C[C@H]1CC[N@@H+](CC(=O)N2CCSc3ccccc32)C[C@H]1n1cc[nH+]c1 ZINC000247448697 510861211 /nfs/dbraw/zinc/86/12/11/510861211.db2.gz JCKUERYOKNVRIH-DOTOQJQBSA-N 2 2 356.495 2.905 10 0 FFAELP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC000247454577 510861215 /nfs/dbraw/zinc/86/12/15/510861215.db2.gz TUSPCLQRDXNMCC-XYPHTWIQSA-N 2 2 368.472 2.595 10 0 FFAELP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC000247454577 510861216 /nfs/dbraw/zinc/86/12/16/510861216.db2.gz TUSPCLQRDXNMCC-XYPHTWIQSA-N 2 2 368.472 2.595 10 0 FFAELP CC[N@@H+]1CCC[C@@H](C[NH+](C)C[C@@H](O)c2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000328629238 511900086 /nfs/dbraw/zinc/90/00/86/511900086.db2.gz IAKGOUWWALWHND-CEWLAPEOSA-N 2 2 356.514 2.859 10 0 FFAELP CC[N@H+]1CCC[C@@H](C[NH+](C)C[C@@H](O)c2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000328629238 511900093 /nfs/dbraw/zinc/90/00/93/511900093.db2.gz IAKGOUWWALWHND-CEWLAPEOSA-N 2 2 356.514 2.859 10 0 FFAELP CC[NH+]1CCC[C@@H](C[N@H+](C)C[C@@H](O)c2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000328629238 511900098 /nfs/dbraw/zinc/90/00/98/511900098.db2.gz IAKGOUWWALWHND-CEWLAPEOSA-N 2 2 356.514 2.859 10 0 FFAELP CC[NH+]1CCC[C@@H](C[N@@H+](C)C[C@@H](O)c2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000328629238 511900103 /nfs/dbraw/zinc/90/01/03/511900103.db2.gz IAKGOUWWALWHND-CEWLAPEOSA-N 2 2 356.514 2.859 10 0 FFAELP COC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCCN(C)[C@H]1c1c[nH+]cn1C ZINC000583619198 519345248 /nfs/dbraw/zinc/34/52/48/519345248.db2.gz RPVQPVPELPYVGG-QKNQBKEWSA-N 2 2 356.514 2.650 10 0 FFAELP COC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cncn1C ZINC000583619198 519345255 /nfs/dbraw/zinc/34/52/55/519345255.db2.gz RPVQPVPELPYVGG-QKNQBKEWSA-N 2 2 356.514 2.650 10 0 FFAELP COC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cncn1C ZINC000583619198 519345260 /nfs/dbraw/zinc/34/52/60/519345260.db2.gz RPVQPVPELPYVGG-QKNQBKEWSA-N 2 2 356.514 2.650 10 0 FFAELP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCc2cn3cc(Cl)ccc3[nH+]2)C1 ZINC000105104188 250198660 /nfs/dbraw/zinc/19/86/60/250198660.db2.gz AHFYLIQZQUZMGI-CQSZACIVSA-N 2 2 363.893 2.907 10 0 FFAELP CC(C)[N@H+]1CCC[C@H](CNC(=O)NCc2cn3cc(Cl)ccc3[nH+]2)C1 ZINC000105104188 250198665 /nfs/dbraw/zinc/19/86/65/250198665.db2.gz AHFYLIQZQUZMGI-CQSZACIVSA-N 2 2 363.893 2.907 10 0 FFAELP O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105115766 250199649 /nfs/dbraw/zinc/19/96/49/250199649.db2.gz RSTLVMAUOCIKNC-LJQANCHMSA-N 2 2 371.529 2.842 10 0 FFAELP O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000105115766 250199651 /nfs/dbraw/zinc/19/96/51/250199651.db2.gz RSTLVMAUOCIKNC-LJQANCHMSA-N 2 2 371.529 2.842 10 0 FFAELP O=C(NC1CCN(c2cccc[nH+]2)CC1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000105142745 250201240 /nfs/dbraw/zinc/20/12/40/250201240.db2.gz XKAOVUKUNSQVEP-IBGZPJMESA-N 2 2 371.529 2.710 10 0 FFAELP CC[N@@H+]1CCc2nc(NC(=O)[C@H](Cc3ccccc3)[NH+](C)C)sc2C1 ZINC000106903644 250298787 /nfs/dbraw/zinc/29/87/87/250298787.db2.gz OSCRDFWKIUIBQI-INIZCTEOSA-N 2 2 358.511 2.633 10 0 FFAELP CC[N@H+]1CCc2nc(NC(=O)[C@H](Cc3ccccc3)[NH+](C)C)sc2C1 ZINC000106903644 250298792 /nfs/dbraw/zinc/29/87/92/250298792.db2.gz OSCRDFWKIUIBQI-INIZCTEOSA-N 2 2 358.511 2.633 10 0 FFAELP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@](C)([NH3+])c2ccccc2)cc1F ZINC000192523046 251281645 /nfs/dbraw/zinc/28/16/45/251281645.db2.gz HAUBAWLMYURILJ-HXUWFJFHSA-N 2 2 352.413 2.810 10 0 FFAELP CC(C)[C@@H]1OCCC[C@H]1Nc1nc(N2CC[N@@H+]3CCCC[C@@H]3C2)cc[nH+]1 ZINC000330137926 258156133 /nfs/dbraw/zinc/15/61/33/258156133.db2.gz ODODZKGZLMVHKS-LMMKCTJWSA-N 2 2 359.518 2.767 10 0 FFAELP CC(C)[C@@H]1OCCC[C@H]1Nc1nc(N2CC[N@H+]3CCCC[C@@H]3C2)cc[nH+]1 ZINC000330137926 258156134 /nfs/dbraw/zinc/15/61/34/258156134.db2.gz ODODZKGZLMVHKS-LMMKCTJWSA-N 2 2 359.518 2.767 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC000329006698 258126517 /nfs/dbraw/zinc/12/65/17/258126517.db2.gz XWXCMJMJMGSLGT-FGTMMUONSA-N 2 2 367.497 2.777 10 0 FFAELP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H]3CCCc4ccccc43)CC2)CC1 ZINC000051758447 507783419 /nfs/dbraw/zinc/78/34/19/507783419.db2.gz LSZTWYUNQQMQAH-NRFANRHFSA-N 2 2 370.541 2.922 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N(C)Cc2cccc(OC)c2)C1 ZINC000108373499 507890762 /nfs/dbraw/zinc/89/07/62/507890762.db2.gz LRIJGQWXZRQYKR-GOSISDBHSA-N 2 2 370.497 2.750 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N(C)Cc2cccc(OC)c2)C1 ZINC000108373499 507890764 /nfs/dbraw/zinc/89/07/64/507890764.db2.gz LRIJGQWXZRQYKR-GOSISDBHSA-N 2 2 370.497 2.750 10 0 FFAELP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1)C2 ZINC000112743102 508218568 /nfs/dbraw/zinc/21/85/68/508218568.db2.gz MNBDUWOWSOYRFK-CVEARBPZSA-N 2 2 361.534 2.732 10 0 FFAELP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1)C2 ZINC000112743102 508218571 /nfs/dbraw/zinc/21/85/71/508218571.db2.gz MNBDUWOWSOYRFK-CVEARBPZSA-N 2 2 361.534 2.732 10 0 FFAELP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1)C2 ZINC000112745761 508219245 /nfs/dbraw/zinc/21/92/45/508219245.db2.gz YOTJMNNQWOYODW-JKSUJKDBSA-N 2 2 361.534 2.732 10 0 FFAELP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1)C2 ZINC000112745761 508219246 /nfs/dbraw/zinc/21/92/46/508219246.db2.gz YOTJMNNQWOYODW-JKSUJKDBSA-N 2 2 361.534 2.732 10 0 FFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000154553899 508807741 /nfs/dbraw/zinc/80/77/41/508807741.db2.gz BUPALPJGBOFWED-AWEZNQCLSA-N 2 2 357.845 2.746 10 0 FFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000154553899 508807743 /nfs/dbraw/zinc/80/77/43/508807743.db2.gz BUPALPJGBOFWED-AWEZNQCLSA-N 2 2 357.845 2.746 10 0 FFAELP COc1cc(OC)c([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)cc1Cl ZINC000151328567 509000210 /nfs/dbraw/zinc/00/02/10/509000210.db2.gz PQVUFURJZVDASY-UONOGXRCSA-N 2 2 356.894 2.855 10 0 FFAELP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000151508857 509033318 /nfs/dbraw/zinc/03/33/18/509033318.db2.gz RCIZTBHGXLDLRU-GOSISDBHSA-N 2 2 359.518 2.601 10 0 FFAELP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000151508857 509033321 /nfs/dbraw/zinc/03/33/21/509033321.db2.gz RCIZTBHGXLDLRU-GOSISDBHSA-N 2 2 359.518 2.601 10 0 FFAELP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000176178572 509364451 /nfs/dbraw/zinc/36/44/51/509364451.db2.gz XUSQUTWTNBGNFY-ROUUACIJSA-N 2 2 373.476 2.774 10 0 FFAELP CC[N@H+]1CCC[C@H]1CN(C)C(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000176178572 509364457 /nfs/dbraw/zinc/36/44/57/509364457.db2.gz XUSQUTWTNBGNFY-ROUUACIJSA-N 2 2 373.476 2.774 10 0 FFAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+]([C@@H]2Cc3ccccc3[C@H]2O)C1 ZINC000248662520 509425818 /nfs/dbraw/zinc/42/58/18/509425818.db2.gz YJOARDRNFJRCFI-QKYXUNIQSA-N 2 2 357.523 2.864 10 0 FFAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+]([C@@H]2Cc3ccccc3[C@H]2O)C1 ZINC000248662520 509425823 /nfs/dbraw/zinc/42/58/23/509425823.db2.gz YJOARDRNFJRCFI-QKYXUNIQSA-N 2 2 357.523 2.864 10 0 FFAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2Cc3ccccc3[C@H]2O)C1 ZINC000248662520 509425826 /nfs/dbraw/zinc/42/58/26/509425826.db2.gz YJOARDRNFJRCFI-QKYXUNIQSA-N 2 2 357.523 2.864 10 0 FFAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2Cc3ccccc3[C@H]2O)C1 ZINC000248662520 509425831 /nfs/dbraw/zinc/42/58/31/509425831.db2.gz YJOARDRNFJRCFI-QKYXUNIQSA-N 2 2 357.523 2.864 10 0 FFAELP NC(=O)[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccc(F)cc1 ZINC000248696791 509440034 /nfs/dbraw/zinc/44/00/34/509440034.db2.gz DGGYXMPVENEUGS-OYNPSCLESA-N 2 2 367.468 2.852 10 0 FFAELP NC(=O)[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccc(F)cc1 ZINC000248696791 509440044 /nfs/dbraw/zinc/44/00/44/509440044.db2.gz DGGYXMPVENEUGS-OYNPSCLESA-N 2 2 367.468 2.852 10 0 FFAELP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCS(=O)(=O)c3ccccc32)cn1 ZINC000186120177 509531495 /nfs/dbraw/zinc/53/14/95/509531495.db2.gz JAKBJLQEIAPGSE-KRWDZBQOSA-N 2 2 368.462 2.584 10 0 FFAELP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)CCC2 ZINC000192721862 509612806 /nfs/dbraw/zinc/61/28/06/509612806.db2.gz OVHOZPDDHNTFTE-JKSUJKDBSA-N 2 2 364.486 2.579 10 0 FFAELP CC(C)[N@@H+]1C[C@H](C)[C@H]([NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)C1 ZINC000249210689 509636863 /nfs/dbraw/zinc/63/68/63/509636863.db2.gz YAHMIMZXGMPZKK-MVBPIPQGSA-N 2 2 369.509 2.912 10 0 FFAELP CC(C)[N@H+]1C[C@H](C)[C@H]([NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)C1 ZINC000249210689 509636871 /nfs/dbraw/zinc/63/68/71/509636871.db2.gz YAHMIMZXGMPZKK-MVBPIPQGSA-N 2 2 369.509 2.912 10 0 FFAELP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177336748 510002884 /nfs/dbraw/zinc/00/28/84/510002884.db2.gz NMLIEEWSPHBIOM-WOJBJXKFSA-N 2 2 367.497 2.894 10 0 FFAELP CCCC[N@@H+]1CCOC[C@H]1C(=O)NCc1ccccc1C[NH+](C)C(C)C ZINC000184271196 510231146 /nfs/dbraw/zinc/23/11/46/510231146.db2.gz HJXFKLJGFFLQSP-FQEVSTJZSA-N 2 2 361.530 2.644 10 0 FFAELP CCCC[N@H+]1CCOC[C@H]1C(=O)NCc1ccccc1C[NH+](C)C(C)C ZINC000184271196 510231150 /nfs/dbraw/zinc/23/11/50/510231150.db2.gz HJXFKLJGFFLQSP-FQEVSTJZSA-N 2 2 361.530 2.644 10 0 FFAELP CCCC[NH+]1CCOC[C@H]1C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000184271196 510231157 /nfs/dbraw/zinc/23/11/57/510231157.db2.gz HJXFKLJGFFLQSP-FQEVSTJZSA-N 2 2 361.530 2.644 10 0 FFAELP CCCC[NH+]1CCOC[C@H]1C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000184271196 510231164 /nfs/dbraw/zinc/23/11/64/510231164.db2.gz HJXFKLJGFFLQSP-FQEVSTJZSA-N 2 2 361.530 2.644 10 0 FFAELP O=C1c2ccccc2C(=O)N1CCC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171645658 510274994 /nfs/dbraw/zinc/27/49/94/510274994.db2.gz VJJVQUHTTJMQGG-MRXNPFEDSA-N 2 2 364.449 2.502 10 0 FFAELP O=C1c2ccccc2C(=O)N1CCC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171645658 510275004 /nfs/dbraw/zinc/27/50/04/510275004.db2.gz VJJVQUHTTJMQGG-MRXNPFEDSA-N 2 2 364.449 2.502 10 0 FFAELP O=C(C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)N1CCSc2ccccc21 ZINC000171645442 510275127 /nfs/dbraw/zinc/27/51/27/510275127.db2.gz ILJZYVXXHYVOHT-INIZCTEOSA-N 2 2 368.506 2.954 10 0 FFAELP O=C(C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)N1CCSc2ccccc21 ZINC000171645442 510275135 /nfs/dbraw/zinc/27/51/35/510275135.db2.gz ILJZYVXXHYVOHT-INIZCTEOSA-N 2 2 368.506 2.954 10 0 FFAELP O=C(C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)N1CCCc2ccccc21 ZINC000171647616 510278206 /nfs/dbraw/zinc/27/82/06/510278206.db2.gz POLQWFIIRBUUOY-QGZVFWFLSA-N 2 2 350.466 2.795 10 0 FFAELP O=C(C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)N1CCCc2ccccc21 ZINC000171647616 510278209 /nfs/dbraw/zinc/27/82/09/510278209.db2.gz POLQWFIIRBUUOY-QGZVFWFLSA-N 2 2 350.466 2.795 10 0 FFAELP CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000194344992 510322913 /nfs/dbraw/zinc/32/29/13/510322913.db2.gz YLFJBAALKKDMLO-SCTDSRPQSA-N 2 2 374.529 2.902 10 0 FFAELP CC[N@H+]1CCC[C@H](NC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000194344992 510322920 /nfs/dbraw/zinc/32/29/20/510322920.db2.gz YLFJBAALKKDMLO-SCTDSRPQSA-N 2 2 374.529 2.902 10 0 FFAELP CC[NH+]1CCC[C@H](NC(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000194344992 510322927 /nfs/dbraw/zinc/32/29/27/510322927.db2.gz YLFJBAALKKDMLO-SCTDSRPQSA-N 2 2 374.529 2.902 10 0 FFAELP CC[NH+]1CCC[C@H](NC(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000194344992 510322935 /nfs/dbraw/zinc/32/29/35/510322935.db2.gz YLFJBAALKKDMLO-SCTDSRPQSA-N 2 2 374.529 2.902 10 0 FFAELP COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2C[N@@H+](C(C)C)C[C@H]2C)c(OC)c1 ZINC000181283055 510336762 /nfs/dbraw/zinc/33/67/62/510336762.db2.gz MWJPBJXXTDLUJW-VKJFTORMSA-N 2 2 363.502 2.739 10 0 FFAELP COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2C[N@H+](C(C)C)C[C@H]2C)c(OC)c1 ZINC000181283055 510336768 /nfs/dbraw/zinc/33/67/68/510336768.db2.gz MWJPBJXXTDLUJW-VKJFTORMSA-N 2 2 363.502 2.739 10 0 FFAELP Cc1ccccc1CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246203633 510359549 /nfs/dbraw/zinc/35/95/49/510359549.db2.gz XZRHWJUPEMDGTD-OALUTQOASA-N 2 2 366.509 2.871 10 0 FFAELP Cc1ccccc1CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246203633 510359554 /nfs/dbraw/zinc/35/95/54/510359554.db2.gz XZRHWJUPEMDGTD-OALUTQOASA-N 2 2 366.509 2.871 10 0 FFAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC(=O)N(C2CC2)C2CCCC2)C1 ZINC000195271554 510750249 /nfs/dbraw/zinc/75/02/49/510750249.db2.gz GHIDJZQBTGBZRO-IBGZPJMESA-N 2 2 370.541 2.769 10 0 FFAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC(=O)N(C2CC2)C2CCCC2)C1 ZINC000195271554 510750259 /nfs/dbraw/zinc/75/02/59/510750259.db2.gz GHIDJZQBTGBZRO-IBGZPJMESA-N 2 2 370.541 2.769 10 0 FFAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CC(=O)N(C2CC2)C2CCCC2)C1 ZINC000195271554 510750267 /nfs/dbraw/zinc/75/02/67/510750267.db2.gz GHIDJZQBTGBZRO-IBGZPJMESA-N 2 2 370.541 2.769 10 0 FFAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CC(=O)N(C2CC2)C2CCCC2)C1 ZINC000195271554 510750279 /nfs/dbraw/zinc/75/02/79/510750279.db2.gz GHIDJZQBTGBZRO-IBGZPJMESA-N 2 2 370.541 2.769 10 0 FFAELP Cc1ccccc1OC[C@H](O)C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195281651 510758754 /nfs/dbraw/zinc/75/87/54/510758754.db2.gz CZIVHAKCNDVRJC-NHCUHLMSSA-N 2 2 369.509 2.584 10 0 FFAELP Cc1ccccc1OC[C@H](O)C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195281651 510758760 /nfs/dbraw/zinc/75/87/60/510758760.db2.gz CZIVHAKCNDVRJC-NHCUHLMSSA-N 2 2 369.509 2.584 10 0 FFAELP Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195281651 510758763 /nfs/dbraw/zinc/75/87/63/510758763.db2.gz CZIVHAKCNDVRJC-NHCUHLMSSA-N 2 2 369.509 2.584 10 0 FFAELP Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195281651 510758769 /nfs/dbraw/zinc/75/87/69/510758769.db2.gz CZIVHAKCNDVRJC-NHCUHLMSSA-N 2 2 369.509 2.584 10 0 FFAELP COc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246957727 510766657 /nfs/dbraw/zinc/76/66/57/510766657.db2.gz UWAYZXKLTKCPMS-RXVVDRJESA-N 2 2 371.525 2.602 10 0 FFAELP COc1ccc(CN(C)C(=O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246957727 510766664 /nfs/dbraw/zinc/76/66/64/510766664.db2.gz UWAYZXKLTKCPMS-RXVVDRJESA-N 2 2 371.525 2.602 10 0 FFAELP COc1ccc(CN(C)C(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246957727 510766671 /nfs/dbraw/zinc/76/66/71/510766671.db2.gz UWAYZXKLTKCPMS-RXVVDRJESA-N 2 2 371.525 2.602 10 0 FFAELP COc1ccc(CN(C)C(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246957727 510766677 /nfs/dbraw/zinc/76/66/77/510766677.db2.gz UWAYZXKLTKCPMS-RXVVDRJESA-N 2 2 371.525 2.602 10 0 FFAELP Cc1ccc2c(C)cc(N3CCC(c4nnc5n4CC[NH2+]C5)CC3)[nH+]c2c1 ZINC000333558805 511284501 /nfs/dbraw/zinc/28/45/01/511284501.db2.gz QHFRAFJIOUWGMV-UHFFFAOYSA-N 2 2 362.481 2.930 10 0 FFAELP CCn1nc(C)c([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1C ZINC000484135357 516302954 /nfs/dbraw/zinc/30/29/54/516302954.db2.gz RQMQWNHGDDXEFE-KKSFZXQISA-N 2 2 356.514 2.807 10 0 FFAELP CCn1nc(C)c([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000484135357 516302958 /nfs/dbraw/zinc/30/29/58/516302958.db2.gz RQMQWNHGDDXEFE-KKSFZXQISA-N 2 2 356.514 2.807 10 0 FFAELP Cn1cc[nH+]c1CN(Cc1cnc(C2CC2)s1)[C@H]1CC12CC[NH2+]CC2 ZINC000573534182 518709858 /nfs/dbraw/zinc/70/98/58/518709858.db2.gz DPIMOECEFGZUHL-INIZCTEOSA-N 2 2 357.527 2.898 10 0 FFAELP Cn1cncc1[C@H]1[C@H](C[NH2+]CC2=Cc3ccccc3OC2)CCC[N@@H+]1C ZINC000583616482 519343089 /nfs/dbraw/zinc/34/30/89/519343089.db2.gz BGGBBGPBBPVZQG-GHTZIAJQSA-N 2 2 352.482 2.869 10 0 FFAELP Cn1cncc1[C@H]1[C@H](C[NH2+]CC2=Cc3ccccc3OC2)CCC[N@H+]1C ZINC000583616482 519343101 /nfs/dbraw/zinc/34/31/01/519343101.db2.gz BGGBBGPBBPVZQG-GHTZIAJQSA-N 2 2 352.482 2.869 10 0 FFAELP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1cc(Br)ccc1O ZINC000185114612 729341578 /nfs/dbraw/zinc/34/15/78/729341578.db2.gz OLRIQTQTQUXKMV-GXTWGEPZSA-N 2 2 357.292 2.652 10 0 FFAELP CCc1noc([C@@H](C)N2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)n1 ZINC000106138680 250244911 /nfs/dbraw/zinc/24/49/11/250244911.db2.gz BKVROHGAMJAEJK-MRXNPFEDSA-N 2 2 366.469 2.697 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cc(=O)n3cc(Cl)ccc3n2)C1 ZINC000106215523 250256925 /nfs/dbraw/zinc/25/69/25/250256925.db2.gz DZDUTEJCSRLSIU-INIZCTEOSA-N 2 2 371.872 2.944 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cc(=O)n3cc(Cl)ccc3n2)C1 ZINC000106215523 250256929 /nfs/dbraw/zinc/25/69/29/250256929.db2.gz DZDUTEJCSRLSIU-INIZCTEOSA-N 2 2 371.872 2.944 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(C(=O)OC)cc2)C1 ZINC000106216421 250257374 /nfs/dbraw/zinc/25/73/74/250257374.db2.gz UCVYAAAYXHIDEL-QGZVFWFLSA-N 2 2 370.453 2.508 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C(=O)OC)cc2)C1 ZINC000106216421 250257376 /nfs/dbraw/zinc/25/73/76/250257376.db2.gz UCVYAAAYXHIDEL-QGZVFWFLSA-N 2 2 370.453 2.508 10 0 FFAELP C[C@@H]1CCCN(c2cc(NC3CC[NH+](C[C@H]4CCOC4)CC3)nc[nH+]2)C1 ZINC000301253376 258037634 /nfs/dbraw/zinc/03/76/34/258037634.db2.gz CHLDROFBVOTDLL-IAGOWNOFSA-N 2 2 359.518 2.626 10 0 FFAELP C[C@@H]1CCCN(c2cc(NC3CC[NH+](C[C@H]4CCOC4)CC3)[nH+]cn2)C1 ZINC000301253376 258037636 /nfs/dbraw/zinc/03/76/36/258037636.db2.gz CHLDROFBVOTDLL-IAGOWNOFSA-N 2 2 359.518 2.626 10 0 FFAELP C[C@@H]1CCC[C@](CNc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)([NH+](C)C)C1 ZINC000301254845 258038071 /nfs/dbraw/zinc/03/80/71/258038071.db2.gz QVGZUFGJQITFAF-HLIPFELVSA-N 2 2 361.534 2.608 10 0 FFAELP c1ccc(C[N@H+]2CCCC[C@@H]2CNc2cc(N3CCOCC3)[nH+]cn2)cc1 ZINC000302878244 258113613 /nfs/dbraw/zinc/11/36/13/258113613.db2.gz GITQGDYTKXXMND-LJQANCHMSA-N 2 2 367.497 2.780 10 0 FFAELP c1ccc(C[N@@H+]2CCCC[C@@H]2CNc2cc(N3CCOCC3)[nH+]cn2)cc1 ZINC000302878244 258113614 /nfs/dbraw/zinc/11/36/14/258113614.db2.gz GITQGDYTKXXMND-LJQANCHMSA-N 2 2 367.497 2.780 10 0 FFAELP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)Nc2c(C)cc(C)[nH+]c2C)CC1 ZINC000333170195 258253760 /nfs/dbraw/zinc/25/37/60/258253760.db2.gz JEVPPSQCVUYXMN-UHFFFAOYSA-N 2 2 370.501 2.707 10 0 FFAELP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000067645995 506960399 /nfs/dbraw/zinc/96/03/99/506960399.db2.gz HCUQUURWVWEWKA-UHFFFAOYSA-N 2 2 371.460 2.781 10 0 FFAELP C[C@@H]([NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000091349407 507981598 /nfs/dbraw/zinc/98/15/98/507981598.db2.gz GXTPWSVBZRYVOS-HUUCEWRRSA-N 2 2 370.478 2.932 10 0 FFAELP CN(C[C@H](c1cccs1)[NH+]1CCOCC1)c1cc(NCC2CC2)[nH+]cn1 ZINC000119541727 508815743 /nfs/dbraw/zinc/81/57/43/508815743.db2.gz OIHFIYQTXYBRCU-MRXNPFEDSA-N 2 2 373.526 2.870 10 0 FFAELP COc1ccc([C@@H](C)[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)c(F)c1 ZINC000151770483 509080096 /nfs/dbraw/zinc/08/00/96/509080096.db2.gz DJPADMWYTVZITJ-QAPCUYQASA-N 2 2 358.457 2.904 10 0 FFAELP COc1ccc([C@@H](C)[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)c(F)c1 ZINC000151770483 509080098 /nfs/dbraw/zinc/08/00/98/509080098.db2.gz DJPADMWYTVZITJ-QAPCUYQASA-N 2 2 358.457 2.904 10 0 FFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@H](O)COc1cccc2[nH]ccc21 ZINC000133073000 509112658 /nfs/dbraw/zinc/11/26/58/509112658.db2.gz COUGSWXRYACNCL-IRXDYDNUSA-N 2 2 354.454 2.577 10 0 FFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@H](O)COc1cccc2[nH]ccc21 ZINC000133073000 509112663 /nfs/dbraw/zinc/11/26/63/509112663.db2.gz COUGSWXRYACNCL-IRXDYDNUSA-N 2 2 354.454 2.577 10 0 FFAELP Cc1ccc2[nH+]ccc(N3CCN(C[C@H]4C[N@H+](C(C)C)CCO4)CC3)c2c1 ZINC000185641526 509279244 /nfs/dbraw/zinc/27/92/44/509279244.db2.gz NCAZRSRBVWCKGF-IBGZPJMESA-N 2 2 368.525 2.774 10 0 FFAELP Cc1ccc2[nH+]ccc(N3CCN(C[C@H]4C[N@@H+](C(C)C)CCO4)CC3)c2c1 ZINC000185641526 509279254 /nfs/dbraw/zinc/27/92/54/509279254.db2.gz NCAZRSRBVWCKGF-IBGZPJMESA-N 2 2 368.525 2.774 10 0 FFAELP Cc1ccc2[nH+]ccc(N3CC[NH+](C[C@H]4CN(C(C)C)CCO4)CC3)c2c1 ZINC000185641526 509279257 /nfs/dbraw/zinc/27/92/57/509279257.db2.gz NCAZRSRBVWCKGF-IBGZPJMESA-N 2 2 368.525 2.774 10 0 FFAELP C[C@H](NC(=O)N1CCC[C@H]1Cn1cc[nH+]c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248391079 509288171 /nfs/dbraw/zinc/28/81/71/509288171.db2.gz BYVQDYZBRMKDDT-SCTDSRPQSA-N 2 2 359.518 2.710 10 0 FFAELP C[C@H](NC(=O)N1CCC[C@H]1Cn1cc[nH+]c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248391079 509288175 /nfs/dbraw/zinc/28/81/75/509288175.db2.gz BYVQDYZBRMKDDT-SCTDSRPQSA-N 2 2 359.518 2.710 10 0 FFAELP Cc1ccc(OC[C@@H](O)C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)cc1 ZINC000248643802 509411845 /nfs/dbraw/zinc/41/18/45/509411845.db2.gz FAKBNTWNSGBIFQ-SFTDATJTSA-N 2 2 369.509 2.584 10 0 FFAELP Cc1ccc(OC[C@@H](O)C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)cc1 ZINC000248643802 509411850 /nfs/dbraw/zinc/41/18/50/509411850.db2.gz FAKBNTWNSGBIFQ-SFTDATJTSA-N 2 2 369.509 2.584 10 0 FFAELP Cc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)cc1 ZINC000248643802 509411852 /nfs/dbraw/zinc/41/18/52/509411852.db2.gz FAKBNTWNSGBIFQ-SFTDATJTSA-N 2 2 369.509 2.584 10 0 FFAELP Cc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)cc1 ZINC000248643802 509411856 /nfs/dbraw/zinc/41/18/56/509411856.db2.gz FAKBNTWNSGBIFQ-SFTDATJTSA-N 2 2 369.509 2.584 10 0 FFAELP Cc1cccc(S(=O)(=O)CCC[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000248644769 509412708 /nfs/dbraw/zinc/41/27/08/509412708.db2.gz ZZJPTADIFHVGIU-HKUYNNGSSA-N 2 2 361.511 2.938 10 0 FFAELP Cc1cccc(S(=O)(=O)CCC[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000248644769 509412717 /nfs/dbraw/zinc/41/27/17/509412717.db2.gz ZZJPTADIFHVGIU-HKUYNNGSSA-N 2 2 361.511 2.938 10 0 FFAELP Cc1ccc(N2CCC([NH2+][C@H]3CCS(=O)(=O)c4ccccc43)CC2)[nH+]c1 ZINC000186211344 509578451 /nfs/dbraw/zinc/57/84/51/509578451.db2.gz HVCLZOBLYLRCJI-SFHVURJKSA-N 2 2 371.506 2.867 10 0 FFAELP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2nc(-c3cccnc3)no2)[C@@H](C)C1 ZINC000249483887 509691119 /nfs/dbraw/zinc/69/11/19/509691119.db2.gz UAWBBDKZYUISKQ-BQFCYCMXSA-N 2 2 373.501 2.919 10 0 FFAELP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2nc(-c3cccnc3)no2)[C@@H](C)C1 ZINC000249483887 509691122 /nfs/dbraw/zinc/69/11/22/509691122.db2.gz UAWBBDKZYUISKQ-BQFCYCMXSA-N 2 2 373.501 2.919 10 0 FFAELP CCN1CCC[C@H]([NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)C1 ZINC000180093123 509747026 /nfs/dbraw/zinc/74/70/26/509747026.db2.gz XKPCHTCTJYRBGO-INIZCTEOSA-N 2 2 350.938 2.666 10 0 FFAELP CC[N@@H+]1CCC[C@H](NCc2c(Cl)cccc2N2CC[NH+](C)CC2)C1 ZINC000180093123 509747030 /nfs/dbraw/zinc/74/70/30/509747030.db2.gz XKPCHTCTJYRBGO-INIZCTEOSA-N 2 2 350.938 2.666 10 0 FFAELP CC[N@H+]1CCC[C@H](NCc2c(Cl)cccc2N2CC[NH+](C)CC2)C1 ZINC000180093123 509747037 /nfs/dbraw/zinc/74/70/37/509747037.db2.gz XKPCHTCTJYRBGO-INIZCTEOSA-N 2 2 350.938 2.666 10 0 FFAELP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c1 ZINC000245437129 509932466 /nfs/dbraw/zinc/93/24/66/509932466.db2.gz RKFUOGDDASOUJU-WOJBJXKFSA-N 2 2 372.557 2.732 10 0 FFAELP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c1 ZINC000245437129 509932477 /nfs/dbraw/zinc/93/24/77/509932477.db2.gz RKFUOGDDASOUJU-WOJBJXKFSA-N 2 2 372.557 2.732 10 0 FFAELP C[C@H](NC(=O)[C@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1ccc2ccccc2c1 ZINC000193610825 509990335 /nfs/dbraw/zinc/99/03/35/509990335.db2.gz FMQPSSTYBMKIMX-SNHGZMDHSA-N 2 2 351.494 2.899 10 0 FFAELP C[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1ccc2ccccc2c1 ZINC000193610825 509990341 /nfs/dbraw/zinc/99/03/41/509990341.db2.gz FMQPSSTYBMKIMX-SNHGZMDHSA-N 2 2 351.494 2.899 10 0 FFAELP C[C@H](NC(=O)[C@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1)c1ccc2ccccc2c1 ZINC000193610825 509990351 /nfs/dbraw/zinc/99/03/51/509990351.db2.gz FMQPSSTYBMKIMX-SNHGZMDHSA-N 2 2 351.494 2.899 10 0 FFAELP C[C@H](NC(=O)[C@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1)c1ccc2ccccc2c1 ZINC000193610825 509990356 /nfs/dbraw/zinc/99/03/56/509990356.db2.gz FMQPSSTYBMKIMX-SNHGZMDHSA-N 2 2 351.494 2.899 10 0 FFAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2ccc(OC)c(F)c2)nc[nH+]1 ZINC000180576670 509993133 /nfs/dbraw/zinc/99/31/33/509993133.db2.gz NXJHUXLEORSLNM-ZFWWWQNUSA-N 2 2 359.449 2.986 10 0 FFAELP C[N@H+]1C[C@@H]2C[NH+]([C@H]3CCN(c4ccc(Cl)cc4Cl)C3=O)C[C@@H]2C1 ZINC000193653105 510006485 /nfs/dbraw/zinc/00/64/85/510006485.db2.gz OTCUNOQBYYRQAS-OZVIIMIRSA-N 2 2 354.281 2.592 10 0 FFAELP C[N@@H+]1C[C@@H]2C[NH+]([C@H]3CCN(c4ccc(Cl)cc4Cl)C3=O)C[C@@H]2C1 ZINC000193653105 510006490 /nfs/dbraw/zinc/00/64/90/510006490.db2.gz OTCUNOQBYYRQAS-OZVIIMIRSA-N 2 2 354.281 2.592 10 0 FFAELP C[NH+]1C[C@@H]2C[N@H+]([C@H]3CCN(c4ccc(Cl)cc4Cl)C3=O)C[C@@H]2C1 ZINC000193653105 510006494 /nfs/dbraw/zinc/00/64/94/510006494.db2.gz OTCUNOQBYYRQAS-OZVIIMIRSA-N 2 2 354.281 2.592 10 0 FFAELP C[NH+]1C[C@@H]2C[N@@H+]([C@H]3CCN(c4ccc(Cl)cc4Cl)C3=O)C[C@@H]2C1 ZINC000193653105 510006498 /nfs/dbraw/zinc/00/64/98/510006498.db2.gz OTCUNOQBYYRQAS-OZVIIMIRSA-N 2 2 354.281 2.592 10 0 FFAELP C[C@H]([NH2+]Cc1cc(=O)n2ccsc2n1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180666733 510044425 /nfs/dbraw/zinc/04/44/25/510044425.db2.gz CBDXOMGVSNJSOE-ZDUSSCGKSA-N 2 2 351.435 2.793 10 0 FFAELP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2ccc(OC)c(Cl)c2)nc[nH+]1 ZINC000174360717 510077277 /nfs/dbraw/zinc/07/72/77/510077277.db2.gz VXFXPLSNYDBQAA-AWEZNQCLSA-N 2 2 361.877 2.939 10 0 FFAELP Cn1cc[nH+]c1CC1CC[NH+](CCCS(=O)(=O)c2ccccc2)CC1 ZINC000171502045 510194150 /nfs/dbraw/zinc/19/41/50/510194150.db2.gz IXDWDYGBIQJYNP-UHFFFAOYSA-N 2 2 361.511 2.539 10 0 FFAELP CCOc1ccccc1NC(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171647948 510278056 /nfs/dbraw/zinc/27/80/56/510278056.db2.gz SFGUONWHVMQMCJ-MRXNPFEDSA-N 2 2 354.454 2.853 10 0 FFAELP CCOc1ccccc1NC(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171647948 510278060 /nfs/dbraw/zinc/27/80/60/510278060.db2.gz SFGUONWHVMQMCJ-MRXNPFEDSA-N 2 2 354.454 2.853 10 0 FFAELP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@@H](C)C(=O)NCc3cccs3)C2)[nH+]1 ZINC000171651039 510281565 /nfs/dbraw/zinc/28/15/65/510281565.db2.gz KPHLNXHMKMVBRH-HOTGVXAUSA-N 2 2 358.511 2.890 10 0 FFAELP Cc1cccc(NC[C@@H]2CC[N@H+]([C@@H](C)C(=O)NCc3cccs3)C2)[nH+]1 ZINC000171651039 510281574 /nfs/dbraw/zinc/28/15/74/510281574.db2.gz KPHLNXHMKMVBRH-HOTGVXAUSA-N 2 2 358.511 2.890 10 0 FFAELP CC(C)c1ccc(NC(=O)C[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)cc1 ZINC000174891499 510370831 /nfs/dbraw/zinc/37/08/31/510370831.db2.gz SVYYUNXTGAALDK-OAQYLSRUSA-N 2 2 372.557 2.850 10 0 FFAELP CC(C)c1ccc(NC(=O)C[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)cc1 ZINC000174891499 510370838 /nfs/dbraw/zinc/37/08/38/510370838.db2.gz SVYYUNXTGAALDK-OAQYLSRUSA-N 2 2 372.557 2.850 10 0 FFAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000246228192 510377211 /nfs/dbraw/zinc/37/72/11/510377211.db2.gz MFOPXYJNIFLUPB-MISYRCLQSA-N 2 2 351.498 2.556 10 0 FFAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000246228192 510377219 /nfs/dbraw/zinc/37/72/19/510377219.db2.gz MFOPXYJNIFLUPB-MISYRCLQSA-N 2 2 351.498 2.556 10 0 FFAELP OC[C@@H]1CCCN1c1cc(NCc2ccccc2C[NH+]2CCCC2)nc[nH+]1 ZINC000171812833 510385354 /nfs/dbraw/zinc/38/53/54/510385354.db2.gz YQRANIKCEOAZCD-IBGZPJMESA-N 2 2 367.497 2.646 10 0 FFAELP OC[C@@H]1CCCN1c1cc(NCc2ccccc2C[NH+]2CCCC2)[nH+]cn1 ZINC000171812833 510385360 /nfs/dbraw/zinc/38/53/60/510385360.db2.gz YQRANIKCEOAZCD-IBGZPJMESA-N 2 2 367.497 2.646 10 0 FFAELP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3CC[NH+]4CCCC[C@@H]4C3)cc2)C[C@H](C)O1 ZINC000195073553 510659874 /nfs/dbraw/zinc/65/98/74/510659874.db2.gz PEELQUUOKQOCTI-LVCYWYKZSA-N 2 2 371.525 2.606 10 0 FFAELP C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3CC[NH+]4CCCC[C@@H]4C3)cc2)C[C@H](C)O1 ZINC000195073553 510659882 /nfs/dbraw/zinc/65/98/82/510659882.db2.gz PEELQUUOKQOCTI-LVCYWYKZSA-N 2 2 371.525 2.606 10 0 FFAELP C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CC[N@@H+]4CCCC[C@@H]4C3)cc2)C[C@H](C)O1 ZINC000195073553 510659892 /nfs/dbraw/zinc/65/98/92/510659892.db2.gz PEELQUUOKQOCTI-LVCYWYKZSA-N 2 2 371.525 2.606 10 0 FFAELP C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CC[N@H+]4CCCC[C@@H]4C3)cc2)C[C@H](C)O1 ZINC000195073553 510659898 /nfs/dbraw/zinc/65/98/98/510659898.db2.gz PEELQUUOKQOCTI-LVCYWYKZSA-N 2 2 371.525 2.606 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)N(C)c1nc2ccccc2s1 ZINC000178748345 510752882 /nfs/dbraw/zinc/75/28/82/510752882.db2.gz WZBKIMBJOFKQJM-OAHLLOKOSA-N 2 2 369.494 2.929 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)N(C)c1nc2ccccc2s1 ZINC000178748345 510752885 /nfs/dbraw/zinc/75/28/85/510752885.db2.gz WZBKIMBJOFKQJM-OAHLLOKOSA-N 2 2 369.494 2.929 10 0 FFAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@H](O)c2c(F)cccc2F)C1 ZINC000195290078 510763651 /nfs/dbraw/zinc/76/36/51/510763651.db2.gz IHVWORQBFVKUDE-APWZRJJASA-N 2 2 361.436 2.847 10 0 FFAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@H](O)c2c(F)cccc2F)C1 ZINC000195290078 510763657 /nfs/dbraw/zinc/76/36/57/510763657.db2.gz IHVWORQBFVKUDE-APWZRJJASA-N 2 2 361.436 2.847 10 0 FFAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](C[C@H](O)c2c(F)cccc2F)C1 ZINC000195290078 510763662 /nfs/dbraw/zinc/76/36/62/510763662.db2.gz IHVWORQBFVKUDE-APWZRJJASA-N 2 2 361.436 2.847 10 0 FFAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](C[C@H](O)c2c(F)cccc2F)C1 ZINC000195290078 510763671 /nfs/dbraw/zinc/76/36/71/510763671.db2.gz IHVWORQBFVKUDE-APWZRJJASA-N 2 2 361.436 2.847 10 0 FFAELP CN(CC1CCCCC1)C(=O)C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195288916 510764267 /nfs/dbraw/zinc/76/42/67/510764267.db2.gz SSLCIJJGJBJTFG-OAQYLSRUSA-N 2 2 372.557 2.874 10 0 FFAELP CN(CC1CCCCC1)C(=O)C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195288916 510764273 /nfs/dbraw/zinc/76/42/73/510764273.db2.gz SSLCIJJGJBJTFG-OAQYLSRUSA-N 2 2 372.557 2.874 10 0 FFAELP CN(CC1CCCCC1)C(=O)C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195288916 510764278 /nfs/dbraw/zinc/76/42/78/510764278.db2.gz SSLCIJJGJBJTFG-OAQYLSRUSA-N 2 2 372.557 2.874 10 0 FFAELP CN(CC1CCCCC1)C(=O)C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195288916 510764281 /nfs/dbraw/zinc/76/42/81/510764281.db2.gz SSLCIJJGJBJTFG-OAQYLSRUSA-N 2 2 372.557 2.874 10 0 FFAELP CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000247404386 510859717 /nfs/dbraw/zinc/85/97/17/510859717.db2.gz XUWSCHMVSGOZDB-SJORKVTESA-N 2 2 355.486 2.917 10 0 FFAELP CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000247404386 510859718 /nfs/dbraw/zinc/85/97/18/510859718.db2.gz XUWSCHMVSGOZDB-SJORKVTESA-N 2 2 355.486 2.917 10 0 FFAELP C[C@@H](NC(=O)NCC[N@@H+]1CCC[C@@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000247443590 510860999 /nfs/dbraw/zinc/86/09/99/510860999.db2.gz NWQWQRMIMHFTPK-IAGOWNOFSA-N 2 2 355.486 2.964 10 0 FFAELP C[C@@H](NC(=O)NCC[N@H+]1CCC[C@@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000247443590 510861000 /nfs/dbraw/zinc/86/10/00/510861000.db2.gz NWQWQRMIMHFTPK-IAGOWNOFSA-N 2 2 355.486 2.964 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N[C@H](C)c2ccccc2OC)C1 ZINC000247557183 510865603 /nfs/dbraw/zinc/86/56/03/510865603.db2.gz FQHFUBWROWXZBT-IAGOWNOFSA-N 2 2 370.497 2.968 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N[C@H](C)c2ccccc2OC)C1 ZINC000247557183 510865604 /nfs/dbraw/zinc/86/56/04/510865604.db2.gz FQHFUBWROWXZBT-IAGOWNOFSA-N 2 2 370.497 2.968 10 0 FFAELP CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)C1 ZINC000247635105 510867459 /nfs/dbraw/zinc/86/74/59/510867459.db2.gz UCIWGEJDNOLCAZ-SXLOBPIMSA-N 2 2 367.497 2.895 10 0 FFAELP C[C@@H]1CC[N@H+](CC(=O)Nc2ccnn2C2CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000247782815 510870531 /nfs/dbraw/zinc/87/05/31/510870531.db2.gz XWQHDGLNIPXBHA-NVXWUHKLSA-N 2 2 356.474 2.716 10 0 FFAELP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccnn2C2CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000247782815 510870532 /nfs/dbraw/zinc/87/05/32/510870532.db2.gz XWQHDGLNIPXBHA-NVXWUHKLSA-N 2 2 356.474 2.716 10 0 FFAELP Cc1[nH+]c2ccccc2n1C1CCN(C(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000333793265 511358161 /nfs/dbraw/zinc/35/81/61/511358161.db2.gz GMZLQDKJPPKKAE-INIZCTEOSA-N 2 2 355.486 2.833 10 0 FFAELP CCOC(=O)c1c[nH+]c2c(C)c(C)ccc2c1N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000301709820 511701175 /nfs/dbraw/zinc/70/11/75/511701175.db2.gz JWDADDWZDMIXPC-ZWKOTPCHSA-N 2 2 369.465 2.548 10 0 FFAELP CCOC(=O)c1c[nH+]c2c(C)c(C)ccc2c1N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000301709820 511701182 /nfs/dbraw/zinc/70/11/82/511701182.db2.gz JWDADDWZDMIXPC-ZWKOTPCHSA-N 2 2 369.465 2.548 10 0 FFAELP C[N@@H+](Cc1noc(C2CC2)n1)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000106127048 250241474 /nfs/dbraw/zinc/24/14/74/250241474.db2.gz ARAPXMKHQQDURK-LJQANCHMSA-N 2 2 370.497 2.824 10 0 FFAELP C[N@H+](Cc1noc(C2CC2)n1)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000106127048 250241477 /nfs/dbraw/zinc/24/14/77/250241477.db2.gz ARAPXMKHQQDURK-LJQANCHMSA-N 2 2 370.497 2.824 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCC(=O)NC(=O)Nc2ccccc2)C1 ZINC000106215008 250255588 /nfs/dbraw/zinc/25/55/88/250255588.db2.gz DUIRYZXFPMWBDS-KRWDZBQOSA-N 2 2 369.469 2.821 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCC(=O)NC(=O)Nc2ccccc2)C1 ZINC000106215008 250255590 /nfs/dbraw/zinc/25/55/90/250255590.db2.gz DUIRYZXFPMWBDS-KRWDZBQOSA-N 2 2 369.469 2.821 10 0 FFAELP Cc1cccc(N2CCC(NC(=O)NC[C@@H](c3ccco3)[NH+](C)C)CC2)[nH+]1 ZINC000117024770 250331348 /nfs/dbraw/zinc/33/13/48/250331348.db2.gz NIBJMOPXWSRYDM-KRWDZBQOSA-N 2 2 371.485 2.554 10 0 FFAELP CC(C)[C@@H]1OCCC[C@H]1Nc1nc(NCc2cn3c([nH+]2)CCCC3)cc[nH+]1 ZINC000330127182 258155914 /nfs/dbraw/zinc/15/59/14/258155914.db2.gz IYIXKDYGKXSMLK-APWZRJJASA-N 2 2 370.501 2.659 10 0 FFAELP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CCC2(CC[NH2+]C2)CC1 ZINC000333077074 258248631 /nfs/dbraw/zinc/24/86/31/258248631.db2.gz AAYYYONQRMDTRY-UHFFFAOYSA-N 2 2 363.531 2.736 10 0 FFAELP C[C@@]1(F)C[NH2+]CCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000333180134 258254338 /nfs/dbraw/zinc/25/43/38/258254338.db2.gz RTUQLBNHBLHSHX-HXUWFJFHSA-N 2 2 369.444 2.767 10 0 FFAELP CCc1[nH+]c(C)nc(N2CC[NH+](C[C@@H](C)O)CC2)c1Cc1ccc(F)cc1 ZINC000036340788 506401582 /nfs/dbraw/zinc/40/15/82/506401582.db2.gz UQWHBCVKDLGDMD-OAHLLOKOSA-N 2 2 372.488 2.580 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000109675668 507979944 /nfs/dbraw/zinc/97/99/44/507979944.db2.gz SXUOUKRLDIIJGF-MRXNPFEDSA-N 2 2 350.426 2.504 10 0 FFAELP C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000091349405 507981641 /nfs/dbraw/zinc/98/16/41/507981641.db2.gz GXTPWSVBZRYVOS-CABCVRRESA-N 2 2 370.478 2.932 10 0 FFAELP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2ccc(OC(F)F)cc2)CC1 ZINC000109753432 507984864 /nfs/dbraw/zinc/98/48/64/507984864.db2.gz VGADZLLEFFWQKJ-QGZVFWFLSA-N 2 2 353.457 2.890 10 0 FFAELP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2ccc(OC(F)F)cc2)CC1 ZINC000109753432 507984866 /nfs/dbraw/zinc/98/48/66/507984866.db2.gz VGADZLLEFFWQKJ-QGZVFWFLSA-N 2 2 353.457 2.890 10 0 FFAELP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000119038544 508711366 /nfs/dbraw/zinc/71/13/66/508711366.db2.gz JBYLNBHOBYWWLG-ADKAHSJRSA-N 2 2 361.534 2.505 10 0 FFAELP Cc1ccc(N2CCC(NC(=O)[C@H](c3ccccc3)[NH+](C)C)CC2)[nH+]c1 ZINC000124209134 508797317 /nfs/dbraw/zinc/79/73/17/508797317.db2.gz KDNOUKHPKMNDQU-FQEVSTJZSA-N 2 2 352.482 2.778 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000131109168 508887738 /nfs/dbraw/zinc/88/77/38/508887738.db2.gz IDDLXKQWCBXDQV-RHSMWYFYSA-N 2 2 360.408 2.740 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000131109168 508887740 /nfs/dbraw/zinc/88/77/40/508887740.db2.gz IDDLXKQWCBXDQV-RHSMWYFYSA-N 2 2 360.408 2.740 10 0 FFAELP Cc1ccc(N2CCC([NH2+][C@H](C)CS(=O)(=O)c3ccccc3)CC2)[nH+]c1 ZINC000120110646 508930640 /nfs/dbraw/zinc/93/06/40/508930640.db2.gz LQZOYWAPBDBXSP-QGZVFWFLSA-N 2 2 373.522 2.811 10 0 FFAELP COc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247953382 509197215 /nfs/dbraw/zinc/19/72/15/509197215.db2.gz FHAUKHIFYBEWID-XJKSGUPXSA-N 2 2 351.878 2.703 10 0 FFAELP COc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247953382 509197223 /nfs/dbraw/zinc/19/72/23/509197223.db2.gz FHAUKHIFYBEWID-XJKSGUPXSA-N 2 2 351.878 2.703 10 0 FFAELP COc1ccc(Cl)cc1NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247953382 509197231 /nfs/dbraw/zinc/19/72/31/509197231.db2.gz FHAUKHIFYBEWID-XJKSGUPXSA-N 2 2 351.878 2.703 10 0 FFAELP COc1ccc(Cl)cc1NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247953382 509197234 /nfs/dbraw/zinc/19/72/34/509197234.db2.gz FHAUKHIFYBEWID-XJKSGUPXSA-N 2 2 351.878 2.703 10 0 FFAELP COCCC1(C[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)CCCCC1 ZINC000189036348 509380176 /nfs/dbraw/zinc/38/01/76/509380176.db2.gz JFSZHBCOOZDWFV-NRFANRHFSA-N 2 2 360.542 2.982 10 0 FFAELP COCCC1(C[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)CCCCC1 ZINC000189036348 509380186 /nfs/dbraw/zinc/38/01/86/509380186.db2.gz JFSZHBCOOZDWFV-NRFANRHFSA-N 2 2 360.542 2.982 10 0 FFAELP C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248662634 509425869 /nfs/dbraw/zinc/42/58/69/509425869.db2.gz YOIUPYLKSXDQDO-JTJHWIPRSA-N 2 2 372.557 2.728 10 0 FFAELP C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248662634 509425873 /nfs/dbraw/zinc/42/58/73/509425873.db2.gz YOIUPYLKSXDQDO-JTJHWIPRSA-N 2 2 372.557 2.728 10 0 FFAELP C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248662634 509425877 /nfs/dbraw/zinc/42/58/77/509425877.db2.gz YOIUPYLKSXDQDO-JTJHWIPRSA-N 2 2 372.557 2.728 10 0 FFAELP C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248662634 509425880 /nfs/dbraw/zinc/42/58/80/509425880.db2.gz YOIUPYLKSXDQDO-JTJHWIPRSA-N 2 2 372.557 2.728 10 0 FFAELP O[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C[NH+]1CCCCC1 ZINC000249048921 509583302 /nfs/dbraw/zinc/58/33/02/509583302.db2.gz WYXZXQXEYWMGDI-KJJMTIBFSA-N 3 2 357.542 2.618 10 0 FFAELP O[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C[NH+]1CCCCC1 ZINC000249048921 509583310 /nfs/dbraw/zinc/58/33/10/509583310.db2.gz WYXZXQXEYWMGDI-KJJMTIBFSA-N 3 2 357.542 2.618 10 0 FFAELP CCO[C@@H]1C[C@H]([NH2+]CC2([NH+]3CCSCC3)CCCC2)C12CCOCC2 ZINC000186242094 509596696 /nfs/dbraw/zinc/59/66/96/509596696.db2.gz PCWHAJWZZNXSHQ-ZWKOTPCHSA-N 2 2 368.587 2.912 10 0 FFAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCC[C@H]3c3cnn(C)c3)c2cc1C ZINC000245843867 510165713 /nfs/dbraw/zinc/16/57/13/510165713.db2.gz HWILLNZNAGOVQG-MJGOQNOKSA-N 2 2 353.470 2.585 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCCS(=O)(=O)c2ccccc2)C1 ZINC000171521735 510204898 /nfs/dbraw/zinc/20/48/98/510204898.db2.gz UEGQBJAFIQMNPS-QGZVFWFLSA-N 2 2 361.511 2.946 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCCS(=O)(=O)c2ccccc2)C1 ZINC000171521735 510204906 /nfs/dbraw/zinc/20/49/06/510204906.db2.gz UEGQBJAFIQMNPS-QGZVFWFLSA-N 2 2 361.511 2.946 10 0 FFAELP CCO[C@H](C)c1nc(C[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)cs1 ZINC000246121262 510304735 /nfs/dbraw/zinc/30/47/35/510304735.db2.gz DCUNOMUNOCLZSQ-SJLPKXTDSA-N 2 2 366.575 2.843 10 0 FFAELP CCO[C@H](C)c1nc(C[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)cs1 ZINC000246121262 510304743 /nfs/dbraw/zinc/30/47/43/510304743.db2.gz DCUNOMUNOCLZSQ-SJLPKXTDSA-N 2 2 366.575 2.843 10 0 FFAELP CCc1ccc([C@@H](CNc2cc(N3CCC[C@H]3CO)[nH+]cn2)[NH+](C)C)cc1 ZINC000246195601 510353471 /nfs/dbraw/zinc/35/34/71/510353471.db2.gz TWDYGHUXIQVQGN-RBUKOAKNSA-N 2 2 369.513 2.715 10 0 FFAELP CCOC(=O)c1c[nH+]c2ccccc2c1N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC000246231738 510380200 /nfs/dbraw/zinc/38/02/00/510380200.db2.gz QZTVOBIMYIQHPS-HNNXBMFYSA-N 2 2 357.454 2.568 10 0 FFAELP CCOC(=O)c1c[nH+]c2ccccc2c1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC000246231738 510380210 /nfs/dbraw/zinc/38/02/10/510380210.db2.gz QZTVOBIMYIQHPS-HNNXBMFYSA-N 2 2 357.454 2.568 10 0 FFAELP CCOC(=O)N1CCC([C@@H](C)[NH2+]C2CC[NH+](Cc3cccnc3)CC2)CC1 ZINC000187690390 510388777 /nfs/dbraw/zinc/38/87/77/510388777.db2.gz YFNIDOKIQZSSNG-QGZVFWFLSA-N 2 2 374.529 2.893 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)Cn2c(C)[nH+]c3ccccc32)C1 ZINC000171821114 510391923 /nfs/dbraw/zinc/39/19/23/510391923.db2.gz CGIVYMCBFUZTBL-MRXNPFEDSA-N 2 2 351.454 2.967 10 0 FFAELP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccccc2-n2cc[nH+]c2)[C@@H](C)C1 ZINC000246325367 510427652 /nfs/dbraw/zinc/42/76/52/510427652.db2.gz CNZNMZHJPXWGMB-FUHWJXTLSA-N 2 2 355.486 2.744 10 0 FFAELP CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2ccccc2-n2cc[nH+]c2)[C@@H](C)C1 ZINC000246325367 510427657 /nfs/dbraw/zinc/42/76/57/510427657.db2.gz CNZNMZHJPXWGMB-FUHWJXTLSA-N 2 2 355.486 2.744 10 0 FFAELP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000181741710 510568689 /nfs/dbraw/zinc/56/86/89/510568689.db2.gz PXIPQKXABNLJFB-RTBURBONSA-N 2 2 372.513 2.609 10 0 FFAELP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000181741710 510568693 /nfs/dbraw/zinc/56/86/93/510568693.db2.gz PXIPQKXABNLJFB-RTBURBONSA-N 2 2 372.513 2.609 10 0 FFAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N(C(C)C)C(C)C)C1 ZINC000195250829 510736414 /nfs/dbraw/zinc/73/64/14/510736414.db2.gz ZKDCJKBCPDBFNJ-KRWDZBQOSA-N 2 2 366.575 2.851 10 0 FFAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N(C(C)C)C(C)C)C1 ZINC000195250829 510736418 /nfs/dbraw/zinc/73/64/18/510736418.db2.gz ZKDCJKBCPDBFNJ-KRWDZBQOSA-N 2 2 366.575 2.851 10 0 FFAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N(C(C)C)C(C)C)C1 ZINC000195250829 510736421 /nfs/dbraw/zinc/73/64/21/510736421.db2.gz ZKDCJKBCPDBFNJ-KRWDZBQOSA-N 2 2 366.575 2.851 10 0 FFAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N(C(C)C)C(C)C)C1 ZINC000195250829 510736425 /nfs/dbraw/zinc/73/64/25/510736425.db2.gz ZKDCJKBCPDBFNJ-KRWDZBQOSA-N 2 2 366.575 2.851 10 0 FFAELP CCCCNC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195256134 510740695 /nfs/dbraw/zinc/74/06/95/510740695.db2.gz WJOZDOVWBKASDA-JKSUJKDBSA-N 2 2 352.548 2.510 10 0 FFAELP CCCCNC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195256134 510740702 /nfs/dbraw/zinc/74/07/02/510740702.db2.gz WJOZDOVWBKASDA-JKSUJKDBSA-N 2 2 352.548 2.510 10 0 FFAELP CCCCNC(=O)[C@H](C)[NH+]1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195256134 510740710 /nfs/dbraw/zinc/74/07/10/510740710.db2.gz WJOZDOVWBKASDA-JKSUJKDBSA-N 2 2 352.548 2.510 10 0 FFAELP CCCCNC(=O)[C@H](C)[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195256134 510740716 /nfs/dbraw/zinc/74/07/16/510740716.db2.gz WJOZDOVWBKASDA-JKSUJKDBSA-N 2 2 352.548 2.510 10 0 FFAELP COC(=O)c1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)cc1F ZINC000195270739 510749109 /nfs/dbraw/zinc/74/91/09/510749109.db2.gz LQZRRUKRJSVSTK-SFHVURJKSA-N 2 2 371.456 2.961 10 0 FFAELP COC(=O)c1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)cc1F ZINC000195270739 510749113 /nfs/dbraw/zinc/74/91/13/510749113.db2.gz LQZRRUKRJSVSTK-SFHVURJKSA-N 2 2 371.456 2.961 10 0 FFAELP COC(=O)c1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)cc1F ZINC000195270739 510749116 /nfs/dbraw/zinc/74/91/16/510749116.db2.gz LQZRRUKRJSVSTK-SFHVURJKSA-N 2 2 371.456 2.961 10 0 FFAELP COC(=O)c1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)cc1F ZINC000195270739 510749122 /nfs/dbraw/zinc/74/91/22/510749122.db2.gz LQZRRUKRJSVSTK-SFHVURJKSA-N 2 2 371.456 2.961 10 0 FFAELP CC(=O)Nc1ccc(NC(=O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246928988 510751617 /nfs/dbraw/zinc/75/16/17/510751617.db2.gz SXUYGLLMVCMRLQ-JXFKEZNVSA-N 2 2 370.497 2.532 10 0 FFAELP CC(=O)Nc1ccc(NC(=O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246928988 510751625 /nfs/dbraw/zinc/75/16/25/510751625.db2.gz SXUYGLLMVCMRLQ-JXFKEZNVSA-N 2 2 370.497 2.532 10 0 FFAELP CC(=O)Nc1ccc(NC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246928988 510751630 /nfs/dbraw/zinc/75/16/30/510751630.db2.gz SXUYGLLMVCMRLQ-JXFKEZNVSA-N 2 2 370.497 2.532 10 0 FFAELP C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195273221 510753005 /nfs/dbraw/zinc/75/30/05/510753005.db2.gz IBBCRCNZVDMHED-QWFCFKBJSA-N 2 2 358.530 2.625 10 0 FFAELP C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195273221 510753009 /nfs/dbraw/zinc/75/30/09/510753009.db2.gz IBBCRCNZVDMHED-QWFCFKBJSA-N 2 2 358.530 2.625 10 0 FFAELP C[C@@H]1CCC[C@@H](C)N1C(=O)C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195273221 510753012 /nfs/dbraw/zinc/75/30/12/510753012.db2.gz IBBCRCNZVDMHED-QWFCFKBJSA-N 2 2 358.530 2.625 10 0 FFAELP C[C@@H]1CCC[C@@H](C)N1C(=O)C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195273221 510753016 /nfs/dbraw/zinc/75/30/16/510753016.db2.gz IBBCRCNZVDMHED-QWFCFKBJSA-N 2 2 358.530 2.625 10 0 FFAELP COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1Cl ZINC000178754265 510755250 /nfs/dbraw/zinc/75/52/50/510755250.db2.gz LQJRNWOMMCJADH-OAHLLOKOSA-N 2 2 362.861 2.957 10 0 FFAELP COc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1Cl ZINC000178754265 510755260 /nfs/dbraw/zinc/75/52/60/510755260.db2.gz LQJRNWOMMCJADH-OAHLLOKOSA-N 2 2 362.861 2.957 10 0 FFAELP C[C@H](C(=O)N1CCCCCC1)[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195281039 510758339 /nfs/dbraw/zinc/75/83/39/510758339.db2.gz AIGHKIZRBBIXQB-UYAOXDASSA-N 2 2 358.530 2.626 10 0 FFAELP C[C@H](C(=O)N1CCCCCC1)[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195281039 510758348 /nfs/dbraw/zinc/75/83/48/510758348.db2.gz AIGHKIZRBBIXQB-UYAOXDASSA-N 2 2 358.530 2.626 10 0 FFAELP C[C@H](C(=O)N1CCCCCC1)[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195281039 510758357 /nfs/dbraw/zinc/75/83/57/510758357.db2.gz AIGHKIZRBBIXQB-UYAOXDASSA-N 2 2 358.530 2.626 10 0 FFAELP C[C@H](C(=O)N1CCCCCC1)[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195281039 510758363 /nfs/dbraw/zinc/75/83/63/510758363.db2.gz AIGHKIZRBBIXQB-UYAOXDASSA-N 2 2 358.530 2.626 10 0 FFAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2ccc(NC(C)=O)cc2)nc[nH+]1 ZINC000182131062 510772164 /nfs/dbraw/zinc/77/21/64/510772164.db2.gz NKKSMKMVKAFMAC-KSSFIOAISA-N 2 2 368.485 2.796 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)NCCc2ccc(F)cc2)C1 ZINC000247555980 510865666 /nfs/dbraw/zinc/86/56/66/510865666.db2.gz FOBNPPJJUHVSJW-APWZRJJASA-N 2 2 372.488 2.969 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)NCCc2ccc(F)cc2)C1 ZINC000247555980 510865667 /nfs/dbraw/zinc/86/56/67/510865667.db2.gz FOBNPPJJUHVSJW-APWZRJJASA-N 2 2 372.488 2.969 10 0 FFAELP O[C@@H](C[NH2+][C@H]1CCc2c1cccc2Br)C[NH+]1CCCCC1 ZINC000180044891 729201670 /nfs/dbraw/zinc/20/16/70/729201670.db2.gz QGIWJSOOBANFDY-GUYCJALGSA-N 2 2 353.304 2.873 10 0 FFAELP C[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000105068498 250195899 /nfs/dbraw/zinc/19/58/99/250195899.db2.gz PFNCOVWGHNEPLX-CQSZACIVSA-N 2 2 368.472 2.693 10 0 FFAELP C[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000105068498 250195906 /nfs/dbraw/zinc/19/59/06/250195906.db2.gz PFNCOVWGHNEPLX-CQSZACIVSA-N 2 2 368.472 2.693 10 0 FFAELP Cc1ccccc1NC(=O)[C@H](C)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130858 250240881 /nfs/dbraw/zinc/24/08/81/250240881.db2.gz DCOFAPZFADWDAV-SFHVURJKSA-N 2 2 369.513 2.615 10 0 FFAELP Cc1ccccc1NC(=O)[C@H](C)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130858 250240885 /nfs/dbraw/zinc/24/08/85/250240885.db2.gz DCOFAPZFADWDAV-SFHVURJKSA-N 2 2 369.513 2.615 10 0 FFAELP C[C@@H](C(=O)Nc1ccc(Cl)cn1)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000106165290 250245306 /nfs/dbraw/zinc/24/53/06/250245306.db2.gz IVIABJLIZBKVDL-ZDUSSCGKSA-N 2 2 361.877 2.750 10 0 FFAELP C[C@@H]1CCC[C@@](CNc2cc(N3CCCC[C@H]3CO)[nH+]cn2)([NH+](C)C)C1 ZINC000302887947 258114361 /nfs/dbraw/zinc/11/43/61/258114361.db2.gz MHSBZIBKPBRQLI-FUHIMQAGSA-N 2 2 361.534 2.750 10 0 FFAELP CC1=C[C@@H](C[NH2+]C[C@H](O)CO)[C@H](C(C)C)C[C@H]1Cc1[nH]c2ccccc2[nH+]1 ZINC000072320803 507776261 /nfs/dbraw/zinc/77/62/61/507776261.db2.gz UMJLLXGMQMPDDJ-VJANTYMQSA-N 2 2 371.525 2.903 10 0 FFAELP O=C(C[N@@H+]1CCC[C@H]1c1ccco1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000116294328 508495796 /nfs/dbraw/zinc/49/57/96/508495796.db2.gz XZIBGZQCIVTFSE-IBGZPJMESA-N 2 2 369.465 2.887 10 0 FFAELP O=C(C[N@H+]1CCC[C@H]1c1ccco1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000116294328 508495797 /nfs/dbraw/zinc/49/57/97/508495797.db2.gz XZIBGZQCIVTFSE-IBGZPJMESA-N 2 2 369.465 2.887 10 0 FFAELP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC[C@H]3c3ccco3)CC2)CC1 ZINC000116429271 508512907 /nfs/dbraw/zinc/51/29/07/508512907.db2.gz SUCQKILHFLISSX-SFHVURJKSA-N 2 2 360.502 2.685 10 0 FFAELP COCC[N@@H+]1CCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)C[C@@H]1C ZINC000117288481 508589367 /nfs/dbraw/zinc/58/93/67/508589367.db2.gz JHKUAUKRHMIIBT-INIZCTEOSA-N 2 2 355.438 2.667 10 0 FFAELP COCC[N@H+]1CCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)C[C@@H]1C ZINC000117288481 508589372 /nfs/dbraw/zinc/58/93/72/508589372.db2.gz JHKUAUKRHMIIBT-INIZCTEOSA-N 2 2 355.438 2.667 10 0 FFAELP CC1CC[NH+](CCN(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)CC1 ZINC000153821437 508656737 /nfs/dbraw/zinc/65/67/37/508656737.db2.gz HTDWXENWAYFRMW-SFHVURJKSA-N 2 2 351.560 2.785 10 0 FFAELP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000119038641 508711604 /nfs/dbraw/zinc/71/16/04/508711604.db2.gz JBYLNBHOBYWWLG-LXPRWKDFSA-N 2 2 361.534 2.505 10 0 FFAELP CCC[C@H](C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)[NH+](C)C ZINC000154943575 508888114 /nfs/dbraw/zinc/88/81/14/508888114.db2.gz WUWCYBVSBQQGLH-KBXCAEBGSA-N 2 2 353.457 2.776 10 0 FFAELP CCC[C@H](C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)[NH+](C)C ZINC000154943575 508888117 /nfs/dbraw/zinc/88/81/17/508888117.db2.gz WUWCYBVSBQQGLH-KBXCAEBGSA-N 2 2 353.457 2.776 10 0 FFAELP COCCn1c(C)cc(C(=O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1C ZINC000131299763 508912124 /nfs/dbraw/zinc/91/21/24/508912124.db2.gz DZYPWMAMYGHSTF-GOSISDBHSA-N 2 2 370.497 2.763 10 0 FFAELP COCCn1c(C)cc(C(=O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1C ZINC000131299763 508912126 /nfs/dbraw/zinc/91/21/26/508912126.db2.gz DZYPWMAMYGHSTF-GOSISDBHSA-N 2 2 370.497 2.763 10 0 FFAELP Cc1nc2c(s1)[C@H]([NH2+]C[C@H](O)C[N@@H+]1CCc3ccccc3C1)CCC2 ZINC000151798114 509085153 /nfs/dbraw/zinc/08/51/53/509085153.db2.gz WIISTVYVWKLKKZ-ZWKOTPCHSA-N 2 2 357.523 2.838 10 0 FFAELP Cc1nc2c(s1)[C@H]([NH2+]C[C@H](O)C[N@H+]1CCc3ccccc3C1)CCC2 ZINC000151798114 509085156 /nfs/dbraw/zinc/08/51/56/509085156.db2.gz WIISTVYVWKLKKZ-ZWKOTPCHSA-N 2 2 357.523 2.838 10 0 FFAELP O[C@@H]1CCCC[C@H]1[NH+]1CCC(Nc2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000132901629 509089047 /nfs/dbraw/zinc/08/90/47/509089047.db2.gz HQOXHMZXANWZHP-QZTJIDSGSA-N 2 2 359.518 2.647 10 0 FFAELP O[C@@H]1CCCC[C@H]1[NH+]1CCC(Nc2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000132901629 509089052 /nfs/dbraw/zinc/08/90/52/509089052.db2.gz HQOXHMZXANWZHP-QZTJIDSGSA-N 2 2 359.518 2.647 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@@H](O)COCc2ccc(OC)cc2)C1 ZINC000247874031 509182605 /nfs/dbraw/zinc/18/26/05/509182605.db2.gz YEQUUIHBEGZHOT-RTBURBONSA-N 2 2 373.497 2.669 10 0 FFAELP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000176370417 509471069 /nfs/dbraw/zinc/47/10/69/509471069.db2.gz HJLKBMXRICLOFJ-PBHICJAKSA-N 2 2 368.472 2.693 10 0 FFAELP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000176370417 509471075 /nfs/dbraw/zinc/47/10/75/509471075.db2.gz HJLKBMXRICLOFJ-PBHICJAKSA-N 2 2 368.472 2.693 10 0 FFAELP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000248790167 509486309 /nfs/dbraw/zinc/48/63/09/509486309.db2.gz XIJAZLGAEIXMCA-PMACEKPBSA-N 2 2 367.497 2.579 10 0 FFAELP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000248790167 509486310 /nfs/dbraw/zinc/48/63/10/509486310.db2.gz XIJAZLGAEIXMCA-PMACEKPBSA-N 2 2 367.497 2.579 10 0 FFAELP CCN(C)c1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)cn1 ZINC000248831883 509502735 /nfs/dbraw/zinc/50/27/35/509502735.db2.gz IMZLWQJWQJGIFU-FQEVSTJZSA-N 2 2 353.514 2.887 10 0 FFAELP CCN(C)c1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)cn1 ZINC000248831883 509502740 /nfs/dbraw/zinc/50/27/40/509502740.db2.gz IMZLWQJWQJGIFU-FQEVSTJZSA-N 2 2 353.514 2.887 10 0 FFAELP CCN(C)c1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)cn1 ZINC000248831883 509502746 /nfs/dbraw/zinc/50/27/46/509502746.db2.gz IMZLWQJWQJGIFU-FQEVSTJZSA-N 2 2 353.514 2.887 10 0 FFAELP CCN(C)c1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)cn1 ZINC000248831883 509502754 /nfs/dbraw/zinc/50/27/54/509502754.db2.gz IMZLWQJWQJGIFU-FQEVSTJZSA-N 2 2 353.514 2.887 10 0 FFAELP Cc1ccc(N2CCC([NH2+][C@@H]3CCS(=O)(=O)c4ccccc43)CC2)[nH+]c1 ZINC000186211323 509579252 /nfs/dbraw/zinc/57/92/52/509579252.db2.gz HVCLZOBLYLRCJI-GOSISDBHSA-N 2 2 371.506 2.867 10 0 FFAELP C[C@H]1C[N@@H+](C2CC[NH+](Cc3cn(C)nc3-c3ccccc3)CC2)CCO1 ZINC000179785403 509621103 /nfs/dbraw/zinc/62/11/03/509621103.db2.gz WMBXJSVCZIQWNQ-KRWDZBQOSA-N 2 2 354.498 2.772 10 0 FFAELP C[C@H]1C[N@H+](C2CC[NH+](Cc3cn(C)nc3-c3ccccc3)CC2)CCO1 ZINC000179785403 509621107 /nfs/dbraw/zinc/62/11/07/509621107.db2.gz WMBXJSVCZIQWNQ-KRWDZBQOSA-N 2 2 354.498 2.772 10 0 FFAELP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1nc2ccc(Cl)cc2n1C ZINC000180044482 509723121 /nfs/dbraw/zinc/72/31/21/509723121.db2.gz MIGKLJGEMUCRHU-ZFWWWQNUSA-N 2 2 350.894 2.724 10 0 FFAELP NC(=O)[C@H](Cc1ccc(Cl)cc1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000183641465 509900681 /nfs/dbraw/zinc/90/06/81/509900681.db2.gz LACYEGGHLULICK-LZQZEXGQSA-N 2 2 361.917 2.685 10 0 FFAELP NC(=O)[C@H](Cc1ccc(Cl)cc1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000183641465 509900688 /nfs/dbraw/zinc/90/06/88/509900688.db2.gz LACYEGGHLULICK-LZQZEXGQSA-N 2 2 361.917 2.685 10 0 FFAELP NC(=O)[C@H](Cc1ccc(Cl)cc1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000183641465 509900697 /nfs/dbraw/zinc/90/06/97/509900697.db2.gz LACYEGGHLULICK-LZQZEXGQSA-N 2 2 361.917 2.685 10 0 FFAELP NC(=O)[C@H](Cc1ccc(Cl)cc1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000183641465 509900704 /nfs/dbraw/zinc/90/07/04/509900704.db2.gz LACYEGGHLULICK-LZQZEXGQSA-N 2 2 361.917 2.685 10 0 FFAELP C[N@H+]1C[C@@H]2C[NH+](CC(=O)N[C@H](c3ccc(F)cc3)C3CCCC3)C[C@@H]2C1 ZINC000193608036 509988734 /nfs/dbraw/zinc/98/87/34/509988734.db2.gz BMJFCTLYAFOZGU-UEXGIBASSA-N 2 2 359.489 2.667 10 0 FFAELP C[N@@H+]1C[C@@H]2C[NH+](CC(=O)N[C@H](c3ccc(F)cc3)C3CCCC3)C[C@@H]2C1 ZINC000193608036 509988743 /nfs/dbraw/zinc/98/87/43/509988743.db2.gz BMJFCTLYAFOZGU-UEXGIBASSA-N 2 2 359.489 2.667 10 0 FFAELP C[NH+]1C[C@@H]2C[N@@H+](CC(=O)N[C@H](c3ccc(F)cc3)C3CCCC3)C[C@@H]2C1 ZINC000193608036 509988748 /nfs/dbraw/zinc/98/87/48/509988748.db2.gz BMJFCTLYAFOZGU-UEXGIBASSA-N 2 2 359.489 2.667 10 0 FFAELP C[NH+]1C[C@@H]2C[N@H+](CC(=O)N[C@H](c3ccc(F)cc3)C3CCCC3)C[C@@H]2C1 ZINC000193608036 509988754 /nfs/dbraw/zinc/98/87/54/509988754.db2.gz BMJFCTLYAFOZGU-UEXGIBASSA-N 2 2 359.489 2.667 10 0 FFAELP C[C@H](CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)[N@@H+]1CCc2sccc2C1 ZINC000177415164 510047068 /nfs/dbraw/zinc/04/70/68/510047068.db2.gz LJYGALQESVALGP-NVXWUHKLSA-N 2 2 373.526 2.565 10 0 FFAELP C[C@H](CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)[N@H+]1CCc2sccc2C1 ZINC000177415164 510047077 /nfs/dbraw/zinc/04/70/77/510047077.db2.gz LJYGALQESVALGP-NVXWUHKLSA-N 2 2 373.526 2.565 10 0 FFAELP COC(=O)c1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)cc1 ZINC000190491795 510163322 /nfs/dbraw/zinc/16/33/22/510163322.db2.gz ZNNKULWGIVUHDU-LJQANCHMSA-N 2 2 353.466 2.822 10 0 FFAELP COC(=O)c1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)cc1 ZINC000190491795 510163325 /nfs/dbraw/zinc/16/33/25/510163325.db2.gz ZNNKULWGIVUHDU-LJQANCHMSA-N 2 2 353.466 2.822 10 0 FFAELP COC(=O)c1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)cc1 ZINC000190491795 510163329 /nfs/dbraw/zinc/16/33/29/510163329.db2.gz ZNNKULWGIVUHDU-LJQANCHMSA-N 2 2 353.466 2.822 10 0 FFAELP COC(=O)c1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)cc1 ZINC000190491795 510163335 /nfs/dbraw/zinc/16/33/35/510163335.db2.gz ZNNKULWGIVUHDU-LJQANCHMSA-N 2 2 353.466 2.822 10 0 FFAELP CC(=O)c1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000245922662 510209524 /nfs/dbraw/zinc/20/95/24/510209524.db2.gz GXLUJIZCGQCIGD-AUUYWEPGSA-N 2 2 354.454 2.886 10 0 FFAELP CC(=O)c1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000245922662 510209530 /nfs/dbraw/zinc/20/95/30/510209530.db2.gz GXLUJIZCGQCIGD-AUUYWEPGSA-N 2 2 354.454 2.886 10 0 FFAELP COC(=O)[C@@H](c1cc(OC)cc(OC)c1)[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000245977064 510236731 /nfs/dbraw/zinc/23/67/31/510236731.db2.gz XGOPKFKBSWYNBN-QFBILLFUSA-N 2 2 373.453 2.587 10 0 FFAELP COC(=O)[C@@H](c1cc(OC)cc(OC)c1)[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000245977064 510236736 /nfs/dbraw/zinc/23/67/36/510236736.db2.gz XGOPKFKBSWYNBN-QFBILLFUSA-N 2 2 373.453 2.587 10 0 FFAELP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000181044544 510253509 /nfs/dbraw/zinc/25/35/09/510253509.db2.gz KCZSXVJFRUPINT-IEBWSBKVSA-N 2 2 355.486 2.578 10 0 FFAELP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000181044544 510253519 /nfs/dbraw/zinc/25/35/19/510253519.db2.gz KCZSXVJFRUPINT-IEBWSBKVSA-N 2 2 355.486 2.578 10 0 FFAELP Cc1ccc(CNC(=O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1F ZINC000171643793 510272579 /nfs/dbraw/zinc/27/25/79/510272579.db2.gz MXRXANDWAGORAG-KRWDZBQOSA-N 2 2 356.445 2.579 10 0 FFAELP Cc1ccc(CNC(=O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1F ZINC000171643793 510272583 /nfs/dbraw/zinc/27/25/83/510272583.db2.gz MXRXANDWAGORAG-KRWDZBQOSA-N 2 2 356.445 2.579 10 0 FFAELP C[C@@H]1Cc2ccccc2N1C(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171647986 510278187 /nfs/dbraw/zinc/27/81/87/510278187.db2.gz WKLCITQMFUHIEL-IAGOWNOFSA-N 2 2 350.466 2.793 10 0 FFAELP C[C@@H]1Cc2ccccc2N1C(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171647986 510278191 /nfs/dbraw/zinc/27/81/91/510278191.db2.gz WKLCITQMFUHIEL-IAGOWNOFSA-N 2 2 350.466 2.793 10 0 FFAELP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)Nc3ccc(Cl)cn3)C2)[nH+]1 ZINC000171649561 510280159 /nfs/dbraw/zinc/28/01/59/510280159.db2.gz HONQUDZVXJNHGF-AWEZNQCLSA-N 2 2 359.861 2.811 10 0 FFAELP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)Nc3ccc(Cl)cn3)C2)[nH+]1 ZINC000171649561 510280167 /nfs/dbraw/zinc/28/01/67/510280167.db2.gz HONQUDZVXJNHGF-AWEZNQCLSA-N 2 2 359.861 2.811 10 0 FFAELP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2cccc(OC(F)F)c2)nc[nH+]1 ZINC000171734048 510337034 /nfs/dbraw/zinc/33/70/34/510337034.db2.gz KHPYPBJYGUGGSZ-CQSZACIVSA-N 2 2 363.412 2.878 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@@H](O)COc2cccc(C(C)=O)c2)C1 ZINC000246214851 510369561 /nfs/dbraw/zinc/36/95/61/510369561.db2.gz ATDZVRJSXSXIPA-RBUKOAKNSA-N 2 2 371.481 2.725 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@@H](O)COc2cccc(C(C)=O)c2)C1 ZINC000246214851 510369564 /nfs/dbraw/zinc/36/95/64/510369564.db2.gz ATDZVRJSXSXIPA-RBUKOAKNSA-N 2 2 371.481 2.725 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000178305562 510537607 /nfs/dbraw/zinc/53/76/07/510537607.db2.gz OLNBOYFFXLSRJN-RTBURBONSA-N 2 2 367.497 2.684 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000178305562 510537614 /nfs/dbraw/zinc/53/76/14/510537614.db2.gz OLNBOYFFXLSRJN-RTBURBONSA-N 2 2 367.497 2.684 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000178305562 510537619 /nfs/dbraw/zinc/53/76/19/510537619.db2.gz OLNBOYFFXLSRJN-RTBURBONSA-N 3 2 367.497 2.684 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000178305562 510537622 /nfs/dbraw/zinc/53/76/22/510537622.db2.gz OLNBOYFFXLSRJN-RTBURBONSA-N 3 2 367.497 2.684 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1nc(COc2ccc(F)cc2)no1 ZINC000178314371 510541319 /nfs/dbraw/zinc/54/13/19/510541319.db2.gz FRWPHYGVXCRUSY-MRXNPFEDSA-N 2 2 371.416 2.957 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1nc(COc2ccc(F)cc2)no1 ZINC000178314371 510541326 /nfs/dbraw/zinc/54/13/26/510541326.db2.gz FRWPHYGVXCRUSY-MRXNPFEDSA-N 2 2 371.416 2.957 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000175627015 510700829 /nfs/dbraw/zinc/70/08/29/510700829.db2.gz DLAOXXLAORIPJP-QGZVFWFLSA-N 2 2 366.469 2.724 10 0 FFAELP CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000246851341 510708570 /nfs/dbraw/zinc/70/85/70/510708570.db2.gz RIXMDHINVJEPLB-SJORKVTESA-N 2 2 355.486 2.964 10 0 FFAELP CCC[N@H+]1CC[C@@H](CNC(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000246851341 510708575 /nfs/dbraw/zinc/70/85/75/510708575.db2.gz RIXMDHINVJEPLB-SJORKVTESA-N 2 2 355.486 2.964 10 0 FFAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](CCC(=O)NC2CCCC2)C1 ZINC000195263848 510745428 /nfs/dbraw/zinc/74/54/28/510745428.db2.gz DDLYUJMVUWVJGR-MRXNPFEDSA-N 2 2 364.559 2.654 10 0 FFAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)NC2CCCC2)C1 ZINC000195263848 510745436 /nfs/dbraw/zinc/74/54/36/510745436.db2.gz DDLYUJMVUWVJGR-MRXNPFEDSA-N 2 2 364.559 2.654 10 0 FFAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](CCC(=O)NC2CCCC2)C1 ZINC000195263848 510745442 /nfs/dbraw/zinc/74/54/42/510745442.db2.gz DDLYUJMVUWVJGR-MRXNPFEDSA-N 2 2 364.559 2.654 10 0 FFAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)NC2CCCC2)C1 ZINC000195263848 510745449 /nfs/dbraw/zinc/74/54/49/510745449.db2.gz DDLYUJMVUWVJGR-MRXNPFEDSA-N 2 2 364.559 2.654 10 0 FFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000178748047 510751524 /nfs/dbraw/zinc/75/15/24/510751524.db2.gz SZVKJVRMISUNAV-ZDUSSCGKSA-N 2 2 369.494 2.643 10 0 FFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000178748047 510751532 /nfs/dbraw/zinc/75/15/32/510751532.db2.gz SZVKJVRMISUNAV-ZDUSSCGKSA-N 2 2 369.494 2.643 10 0 FFAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@H](O)c2c(F)cccc2F)C1 ZINC000195290063 510764107 /nfs/dbraw/zinc/76/41/07/510764107.db2.gz IHVWORQBFVKUDE-LPHOPBHVSA-N 2 2 361.436 2.847 10 0 FFAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@H](O)c2c(F)cccc2F)C1 ZINC000195290063 510764112 /nfs/dbraw/zinc/76/41/12/510764112.db2.gz IHVWORQBFVKUDE-LPHOPBHVSA-N 2 2 361.436 2.847 10 0 FFAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](C[C@H](O)c2c(F)cccc2F)C1 ZINC000195290063 510764124 /nfs/dbraw/zinc/76/41/24/510764124.db2.gz IHVWORQBFVKUDE-LPHOPBHVSA-N 2 2 361.436 2.847 10 0 FFAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](C[C@H](O)c2c(F)cccc2F)C1 ZINC000195290063 510764130 /nfs/dbraw/zinc/76/41/30/510764130.db2.gz IHVWORQBFVKUDE-LPHOPBHVSA-N 2 2 361.436 2.847 10 0 FFAELP CC1CCC(NC(=O)C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)CC1 ZINC000195294277 510767265 /nfs/dbraw/zinc/76/72/65/510767265.db2.gz RYSFLLALLKQDKQ-SKINQDTJSA-N 2 2 358.530 2.530 10 0 FFAELP CC1CCC(NC(=O)C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)CC1 ZINC000195294277 510767272 /nfs/dbraw/zinc/76/72/72/510767272.db2.gz RYSFLLALLKQDKQ-SKINQDTJSA-N 2 2 358.530 2.530 10 0 FFAELP CC1CCC(NC(=O)C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)CC1 ZINC000195294277 510767277 /nfs/dbraw/zinc/76/72/77/510767277.db2.gz RYSFLLALLKQDKQ-SKINQDTJSA-N 2 2 358.530 2.530 10 0 FFAELP CC1CCC(NC(=O)C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)CC1 ZINC000195294277 510767285 /nfs/dbraw/zinc/76/72/85/510767285.db2.gz RYSFLLALLKQDKQ-SKINQDTJSA-N 2 2 358.530 2.530 10 0 FFAELP C[N@@H+]1CCC[C@H]2C[NH+](Cc3csc(-c4ccc(C(N)=O)cc4)n3)CC[C@H]21 ZINC000246998851 510790259 /nfs/dbraw/zinc/79/02/59/510790259.db2.gz PODPAIOIWZXHFK-FUHWJXTLSA-N 2 2 370.522 2.825 10 0 FFAELP C[N@H+]1CCC[C@H]2C[NH+](Cc3csc(-c4ccc(C(N)=O)cc4)n3)CC[C@H]21 ZINC000246998851 510790266 /nfs/dbraw/zinc/79/02/66/510790266.db2.gz PODPAIOIWZXHFK-FUHWJXTLSA-N 2 2 370.522 2.825 10 0 FFAELP C[NH+]1CCC[C@H]2C[N@H+](Cc3csc(-c4ccc(C(N)=O)cc4)n3)CC[C@H]21 ZINC000246998851 510790275 /nfs/dbraw/zinc/79/02/75/510790275.db2.gz PODPAIOIWZXHFK-FUHWJXTLSA-N 2 2 370.522 2.825 10 0 FFAELP C[NH+]1CCC[C@H]2C[N@@H+](Cc3csc(-c4ccc(C(N)=O)cc4)n3)CC[C@H]21 ZINC000246998851 510790283 /nfs/dbraw/zinc/79/02/83/510790283.db2.gz PODPAIOIWZXHFK-FUHWJXTLSA-N 2 2 370.522 2.825 10 0 FFAELP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000247034992 510810161 /nfs/dbraw/zinc/81/01/61/510810161.db2.gz HWJBCWFRNJSDSA-FUHWJXTLSA-N 2 2 359.518 2.600 10 0 FFAELP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000247034992 510810168 /nfs/dbraw/zinc/81/01/68/510810168.db2.gz HWJBCWFRNJSDSA-FUHWJXTLSA-N 2 2 359.518 2.600 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)NCc2ccc(F)cc2)C1 ZINC000247572021 510866107 /nfs/dbraw/zinc/86/61/07/510866107.db2.gz HGRUVYHKDNETFW-QAPCUYQASA-N 2 2 358.461 2.926 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)NCc2ccc(F)cc2)C1 ZINC000247572021 510866108 /nfs/dbraw/zinc/86/61/08/510866108.db2.gz HGRUVYHKDNETFW-QAPCUYQASA-N 2 2 358.461 2.926 10 0 FFAELP Cc1cccn2c(C[NH2+]C[C@@H]3CCC[N@H+](C)[C@H]3c3ccnn3C)cnc12 ZINC000487061443 515741928 /nfs/dbraw/zinc/74/19/28/515741928.db2.gz NUQGOHKFAAUGKT-QFBILLFUSA-N 2 2 352.486 2.549 10 0 FFAELP Cc1cccn2c(C[NH2+]C[C@@H]3CCC[N@@H+](C)[C@H]3c3ccnn3C)cnc12 ZINC000487061443 515741933 /nfs/dbraw/zinc/74/19/33/515741933.db2.gz NUQGOHKFAAUGKT-QFBILLFUSA-N 2 2 352.486 2.549 10 0 FFAELP CCCc1c[nH+]c(C)nc1N1CCC2(CC1)c1ccccc1[C@@H]([NH3+])[C@@H]2O ZINC000072158007 535436929 /nfs/dbraw/zinc/43/69/29/535436929.db2.gz BZNWHYFOKJZNEP-MOPGFXCFSA-N 2 2 352.482 2.650 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cn1nc2nc(C)cc(C)n2c1=S ZINC000176079621 729108219 /nfs/dbraw/zinc/10/82/19/729108219.db2.gz HNDTUBDHPLNYEX-OAHLLOKOSA-N 2 2 357.487 2.504 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cn1nc2nc(C)cc(C)n2c1=S ZINC000176079621 729108221 /nfs/dbraw/zinc/10/82/21/729108221.db2.gz HNDTUBDHPLNYEX-OAHLLOKOSA-N 2 2 357.487 2.504 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)c2[nH]c(C)c(C(=O)OC)c2C)C1 ZINC000106217315 250258961 /nfs/dbraw/zinc/25/89/61/250258961.db2.gz ZAPUNPHYSJRDNB-HNNXBMFYSA-N 2 2 372.469 2.697 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)c2[nH]c(C)c(C(=O)OC)c2C)C1 ZINC000106217315 250258965 /nfs/dbraw/zinc/25/89/65/250258965.db2.gz ZAPUNPHYSJRDNB-HNNXBMFYSA-N 2 2 372.469 2.697 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N(C)Cc2ccccc2OC)C1 ZINC000106217531 250259546 /nfs/dbraw/zinc/25/95/46/250259546.db2.gz WLNAALBDBCWYTP-GOSISDBHSA-N 2 2 370.497 2.750 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N(C)Cc2ccccc2OC)C1 ZINC000106217531 250259550 /nfs/dbraw/zinc/25/95/50/250259550.db2.gz WLNAALBDBCWYTP-GOSISDBHSA-N 2 2 370.497 2.750 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cc(=O)n3c(C)cccc3n2)C1 ZINC000106217540 250259862 /nfs/dbraw/zinc/25/98/62/250259862.db2.gz TZNZTWBBWSGEKI-KRWDZBQOSA-N 2 2 351.454 2.599 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cc(=O)n3c(C)cccc3n2)C1 ZINC000106217540 250259867 /nfs/dbraw/zinc/25/98/67/250259867.db2.gz TZNZTWBBWSGEKI-KRWDZBQOSA-N 2 2 351.454 2.599 10 0 FFAELP CC(C)C[NH+]1CCN(C(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000080551193 508083701 /nfs/dbraw/zinc/08/37/01/508083701.db2.gz LNINDULUCNJPHE-QGZVFWFLSA-N 2 2 355.486 2.917 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000106214376 508397854 /nfs/dbraw/zinc/39/78/54/508397854.db2.gz ITEYJNYYMDXJBI-MRXNPFEDSA-N 2 2 370.453 2.840 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000106214376 508397855 /nfs/dbraw/zinc/39/78/55/508397855.db2.gz ITEYJNYYMDXJBI-MRXNPFEDSA-N 2 2 370.453 2.840 10 0 FFAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](c2ncc[nH]2)c2ccccc2)nc[nH+]1 ZINC000127869282 508512627 /nfs/dbraw/zinc/51/26/27/508512627.db2.gz WABFGXJWSYADRG-APWZRJJASA-N 2 2 363.469 2.589 10 0 FFAELP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC[C@@H]3c3ccco3)CC2)CC1 ZINC000116429269 508512739 /nfs/dbraw/zinc/51/27/39/508512739.db2.gz SUCQKILHFLISSX-GOSISDBHSA-N 2 2 360.502 2.685 10 0 FFAELP C[C@@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000136064721 508668552 /nfs/dbraw/zinc/66/85/52/508668552.db2.gz AQQACVNCFGPNMQ-HKUYNNGSSA-N 2 2 369.513 2.900 10 0 FFAELP C[C@@H](c1nc(-c2ccccc2)no1)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000136064721 508668554 /nfs/dbraw/zinc/66/85/54/508668554.db2.gz AQQACVNCFGPNMQ-HKUYNNGSSA-N 2 2 369.513 2.900 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)Nc2nnc(C(C)C)s2)C1 ZINC000137201747 508743065 /nfs/dbraw/zinc/74/30/65/508743065.db2.gz WCOVSTCVGANENE-ZDUSSCGKSA-N 2 2 362.503 2.696 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)Nc2nnc(C(C)C)s2)C1 ZINC000137201747 508743069 /nfs/dbraw/zinc/74/30/69/508743069.db2.gz WCOVSTCVGANENE-ZDUSSCGKSA-N 2 2 362.503 2.696 10 0 FFAELP Cc1ccc([C@H]2C[N@H+](C[C@H](O)Cn3c[nH+]c4cc(C)c(C)cc43)CCO2)o1 ZINC000159092274 508791182 /nfs/dbraw/zinc/79/11/82/508791182.db2.gz JWNJUVBZUADBJN-LAUBAEHRSA-N 2 2 369.465 2.989 10 0 FFAELP Cc1ccc([C@H]2C[N@@H+](C[C@H](O)Cn3c[nH+]c4cc(C)c(C)cc43)CCO2)o1 ZINC000159092274 508791184 /nfs/dbraw/zinc/79/11/84/508791184.db2.gz JWNJUVBZUADBJN-LAUBAEHRSA-N 2 2 369.465 2.989 10 0 FFAELP Cc1cc(C)cc(OC[C@@H](O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000151099563 508955742 /nfs/dbraw/zinc/95/57/42/508955742.db2.gz IBWGAYZTUWDEBS-MOPGFXCFSA-N 2 2 355.482 2.872 10 0 FFAELP Cc1cc(C)cc(OC[C@@H](O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000151099563 508955746 /nfs/dbraw/zinc/95/57/46/508955746.db2.gz IBWGAYZTUWDEBS-MOPGFXCFSA-N 2 2 355.482 2.872 10 0 FFAELP Cc1cnn(C[C@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3C)CCO2)c1 ZINC000192008069 509292794 /nfs/dbraw/zinc/29/27/94/509292794.db2.gz UHXNEDNOVBPZRY-HXUWFJFHSA-N 2 2 351.454 2.587 10 0 FFAELP Cc1cnn(C[C@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3C)CCO2)c1 ZINC000192008069 509292799 /nfs/dbraw/zinc/29/27/99/509292799.db2.gz UHXNEDNOVBPZRY-HXUWFJFHSA-N 2 2 351.454 2.587 10 0 FFAELP O[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C[NH+]1CCCCC1 ZINC000248399101 509293537 /nfs/dbraw/zinc/29/35/37/509293537.db2.gz JPLNTVCZHCQTBN-BXXSPATCSA-N 3 2 371.569 2.724 10 0 FFAELP O[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C[NH+]1CCCCC1 ZINC000248399101 509293544 /nfs/dbraw/zinc/29/35/44/509293544.db2.gz JPLNTVCZHCQTBN-BXXSPATCSA-N 3 2 371.569 2.724 10 0 FFAELP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000176350480 509459657 /nfs/dbraw/zinc/45/96/57/509459657.db2.gz YGGXNCVZXHTNDX-KRWDZBQOSA-N 2 2 371.485 2.910 10 0 FFAELP CC[N@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000176350480 509459663 /nfs/dbraw/zinc/45/96/63/509459663.db2.gz YGGXNCVZXHTNDX-KRWDZBQOSA-N 2 2 371.485 2.910 10 0 FFAELP CC[N@@H+]1CCC[C@H](N[C@@H](c2ccc(Cl)cc2)[C@H]2C[NH+](C)CCO2)C1 ZINC000248748427 509467996 /nfs/dbraw/zinc/46/79/96/509467996.db2.gz SPVQBBSPIMSHQC-OTWHNJEPSA-N 2 2 351.922 2.786 10 0 FFAELP CC[N@H+]1CCC[C@H](N[C@@H](c2ccc(Cl)cc2)[C@H]2C[NH+](C)CCO2)C1 ZINC000248748427 509468008 /nfs/dbraw/zinc/46/80/08/509468008.db2.gz SPVQBBSPIMSHQC-OTWHNJEPSA-N 2 2 351.922 2.786 10 0 FFAELP CC[NH+]1CCC[C@H](N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)C1 ZINC000248748427 509468016 /nfs/dbraw/zinc/46/80/16/509468016.db2.gz SPVQBBSPIMSHQC-OTWHNJEPSA-N 2 2 351.922 2.786 10 0 FFAELP CC[NH+]1CCC[C@H](N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000248748427 509468026 /nfs/dbraw/zinc/46/80/26/509468026.db2.gz SPVQBBSPIMSHQC-OTWHNJEPSA-N 2 2 351.922 2.786 10 0 FFAELP CCOc1ccc(C(C)=O)cc1C[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000182899248 509483108 /nfs/dbraw/zinc/48/31/08/509483108.db2.gz LIPSOWIJDKWMLF-NRFANRHFSA-N 2 2 373.541 2.890 10 0 FFAELP CCO[C@H]1C[C@@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C12CCOCC2 ZINC000186256397 509607183 /nfs/dbraw/zinc/60/71/83/509607183.db2.gz TUZFBRITMKUQDY-RTWAWAEBSA-N 2 2 374.525 2.583 10 0 FFAELP CC(C)CO[C@@H](C)c1noc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)n1 ZINC000173886856 509835875 /nfs/dbraw/zinc/83/58/75/509835875.db2.gz ZOSALDJFKFMFOA-HNNXBMFYSA-N 2 2 361.490 2.991 10 0 FFAELP C[N@H+]1C[C@@H]2C[NH+](CC(=O)N[C@H](Cc3ccccc3)c3ccccc3)C[C@@H]2C1 ZINC000193610059 509989230 /nfs/dbraw/zinc/98/92/30/509989230.db2.gz ZGWFAHVXRROWTO-BHIFYINESA-N 2 2 363.505 2.580 10 0 FFAELP C[N@@H+]1C[C@@H]2C[NH+](CC(=O)N[C@H](Cc3ccccc3)c3ccccc3)C[C@@H]2C1 ZINC000193610059 509989233 /nfs/dbraw/zinc/98/92/33/509989233.db2.gz ZGWFAHVXRROWTO-BHIFYINESA-N 2 2 363.505 2.580 10 0 FFAELP C[NH+]1C[C@@H]2C[N@@H+](CC(=O)N[C@H](Cc3ccccc3)c3ccccc3)C[C@@H]2C1 ZINC000193610059 509989236 /nfs/dbraw/zinc/98/92/36/509989236.db2.gz ZGWFAHVXRROWTO-BHIFYINESA-N 2 2 363.505 2.580 10 0 FFAELP C[NH+]1C[C@@H]2C[N@H+](CC(=O)N[C@H](Cc3ccccc3)c3ccccc3)C[C@@H]2C1 ZINC000193610059 509989240 /nfs/dbraw/zinc/98/92/40/509989240.db2.gz ZGWFAHVXRROWTO-BHIFYINESA-N 2 2 363.505 2.580 10 0 FFAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+]([C@H](C)c3nc4ccccc4o3)CC2)C1 ZINC000245561119 510008374 /nfs/dbraw/zinc/00/83/74/510008374.db2.gz XCXLNIUDHVUEMK-QZTJIDSGSA-N 2 2 372.513 2.616 10 0 FFAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+]([C@H](C)c3nc4ccccc4o3)CC2)C1 ZINC000245561119 510008382 /nfs/dbraw/zinc/00/83/82/510008382.db2.gz XCXLNIUDHVUEMK-QZTJIDSGSA-N 2 2 372.513 2.616 10 0 FFAELP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000177354797 510011245 /nfs/dbraw/zinc/01/12/45/510011245.db2.gz CVLDHMXPNYJCJO-IRXDYDNUSA-N 2 2 373.526 2.956 10 0 FFAELP C[C@@H]1CC[N@H+](C[C@@H](O)COCc2ccc(Cl)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000245593773 510026192 /nfs/dbraw/zinc/02/61/92/510026192.db2.gz LDGWAQZLQWICOW-LZQZEXGQSA-N 2 2 363.889 2.997 10 0 FFAELP C[C@@H]1CC[N@@H+](C[C@@H](O)COCc2ccc(Cl)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000245593773 510026203 /nfs/dbraw/zinc/02/62/03/510026203.db2.gz LDGWAQZLQWICOW-LZQZEXGQSA-N 2 2 363.889 2.997 10 0 FFAELP C[C@@H]([NH2+]CC(=O)NCCOc1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180668120 510044481 /nfs/dbraw/zinc/04/44/81/510044481.db2.gz GVCLHKPCKHZILK-QGZVFWFLSA-N 2 2 364.449 2.718 10 0 FFAELP C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(c3cccnn3)C2)C[N@@H+]1Cc1ccccc1 ZINC000245724587 510109427 /nfs/dbraw/zinc/10/94/27/510109427.db2.gz IFHOJZLWESJPNV-HOJAQTOUSA-N 2 2 351.498 2.698 10 0 FFAELP C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(c3cccnn3)C2)C[N@H+]1Cc1ccccc1 ZINC000245724587 510109430 /nfs/dbraw/zinc/10/94/30/510109430.db2.gz IFHOJZLWESJPNV-HOJAQTOUSA-N 2 2 351.498 2.698 10 0 FFAELP Cc1ccc(N2CCC(NC(=O)c3cccc(C[NH+](C)C)c3)CC2)[nH+]c1 ZINC000174442690 510116226 /nfs/dbraw/zinc/11/62/26/510116226.db2.gz YHJGYKVVVCNPOH-UHFFFAOYSA-N 2 2 352.482 2.850 10 0 FFAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2c[nH]nc2-c2cccnc2)C1 ZINC000190477306 510154714 /nfs/dbraw/zinc/15/47/14/510154714.db2.gz TVQGVUCUCQIEFS-SFHVURJKSA-N 2 2 362.481 2.821 10 0 FFAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2c[nH]nc2-c2cccnc2)C1 ZINC000190477306 510154723 /nfs/dbraw/zinc/15/47/23/510154723.db2.gz TVQGVUCUCQIEFS-SFHVURJKSA-N 2 2 362.481 2.821 10 0 FFAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2cccnc2)C1 ZINC000190477306 510154735 /nfs/dbraw/zinc/15/47/35/510154735.db2.gz TVQGVUCUCQIEFS-SFHVURJKSA-N 2 2 362.481 2.821 10 0 FFAELP CC[N@@H+]1CCC[C@H](N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[NH+](C)CCO2)C1 ZINC000184293108 510244076 /nfs/dbraw/zinc/24/40/76/510244076.db2.gz SPVQBBSPIMSHQC-FHWLQOOXSA-N 2 2 351.922 2.786 10 0 FFAELP CC[N@H+]1CCC[C@H](N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[NH+](C)CCO2)C1 ZINC000184293108 510244079 /nfs/dbraw/zinc/24/40/79/510244079.db2.gz SPVQBBSPIMSHQC-FHWLQOOXSA-N 2 2 351.922 2.786 10 0 FFAELP CC[NH+]1CCC[C@H](N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000184293108 510244083 /nfs/dbraw/zinc/24/40/83/510244083.db2.gz SPVQBBSPIMSHQC-FHWLQOOXSA-N 2 2 351.922 2.786 10 0 FFAELP CC[NH+]1CCC[C@H](N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000184293108 510244088 /nfs/dbraw/zinc/24/40/88/510244088.db2.gz SPVQBBSPIMSHQC-FHWLQOOXSA-N 2 2 351.922 2.786 10 0 FFAELP COc1c(C)c[nH+]c(CN(C)C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)c1C ZINC000171674906 510301042 /nfs/dbraw/zinc/30/10/42/510301042.db2.gz CLPKWMBDKWCRPM-LJQANCHMSA-N 2 2 355.482 2.838 10 0 FFAELP C[C@]1([NH3+])CCCC[C@H]1C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000263154625 510588699 /nfs/dbraw/zinc/58/86/99/510588699.db2.gz DHWGLASIDSUWLB-BBRMVZONSA-N 2 2 365.275 2.621 10 0 FFAELP CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195264116 510746436 /nfs/dbraw/zinc/74/64/36/510746436.db2.gz KPOHVLJMLIYHOP-BHYGNILZSA-N 2 2 366.575 2.899 10 0 FFAELP CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195264116 510746442 /nfs/dbraw/zinc/74/64/42/510746442.db2.gz KPOHVLJMLIYHOP-BHYGNILZSA-N 2 2 366.575 2.899 10 0 FFAELP CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195264116 510746446 /nfs/dbraw/zinc/74/64/46/510746446.db2.gz KPOHVLJMLIYHOP-BHYGNILZSA-N 2 2 366.575 2.899 10 0 FFAELP CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195264116 510746452 /nfs/dbraw/zinc/74/64/52/510746452.db2.gz KPOHVLJMLIYHOP-BHYGNILZSA-N 2 2 366.575 2.899 10 0 FFAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](CC(=O)NCCC(C)(C)C)C1 ZINC000195265457 510746997 /nfs/dbraw/zinc/74/69/97/510746997.db2.gz MVHOOQMWESERPD-INIZCTEOSA-N 2 2 366.575 2.758 10 0 FFAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)NCCC(C)(C)C)C1 ZINC000195265457 510747002 /nfs/dbraw/zinc/74/70/02/510747002.db2.gz MVHOOQMWESERPD-INIZCTEOSA-N 2 2 366.575 2.758 10 0 FFAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NCCC(C)(C)C)C1 ZINC000195265457 510747009 /nfs/dbraw/zinc/74/70/09/510747009.db2.gz MVHOOQMWESERPD-INIZCTEOSA-N 2 2 366.575 2.758 10 0 FFAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NCCC(C)(C)C)C1 ZINC000195265457 510747014 /nfs/dbraw/zinc/74/70/14/510747014.db2.gz MVHOOQMWESERPD-INIZCTEOSA-N 2 2 366.575 2.758 10 0 FFAELP CC(C)C[C@@H](C)N(C)C(=O)C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195270566 510749223 /nfs/dbraw/zinc/74/92/23/510749223.db2.gz OQPDHGCOQCHYGV-UYAOXDASSA-N 2 2 360.546 2.728 10 0 FFAELP CC(C)C[C@@H](C)N(C)C(=O)C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195270566 510749224 /nfs/dbraw/zinc/74/92/24/510749224.db2.gz OQPDHGCOQCHYGV-UYAOXDASSA-N 2 2 360.546 2.728 10 0 FFAELP CC(C)C[C@@H](C)N(C)C(=O)C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195270566 510749227 /nfs/dbraw/zinc/74/92/27/510749227.db2.gz OQPDHGCOQCHYGV-UYAOXDASSA-N 2 2 360.546 2.728 10 0 FFAELP CC(C)C[C@@H](C)N(C)C(=O)C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195270566 510749230 /nfs/dbraw/zinc/74/92/30/510749230.db2.gz OQPDHGCOQCHYGV-UYAOXDASSA-N 2 2 360.546 2.728 10 0 FFAELP COc1ccc2c(C[N@@H+]3CCC[C@@H]3Cn3cc[nH+]c3C)cc(=O)oc2c1 ZINC000178745698 510750552 /nfs/dbraw/zinc/75/05/52/510750552.db2.gz DOKIOBQVSIJKPB-MRXNPFEDSA-N 2 2 353.422 2.971 10 0 FFAELP COc1ccc2c(C[N@H+]3CCC[C@@H]3Cn3cc[nH+]c3C)cc(=O)oc2c1 ZINC000178745698 510750560 /nfs/dbraw/zinc/75/05/60/510750560.db2.gz DOKIOBQVSIJKPB-MRXNPFEDSA-N 2 2 353.422 2.971 10 0 FFAELP COC(=O)c1cccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000195273842 510752811 /nfs/dbraw/zinc/75/28/11/510752811.db2.gz LMVVOZDXPWCMRI-IBGZPJMESA-N 2 2 353.466 2.822 10 0 FFAELP COC(=O)c1cccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000195273842 510752815 /nfs/dbraw/zinc/75/28/15/510752815.db2.gz LMVVOZDXPWCMRI-IBGZPJMESA-N 2 2 353.466 2.822 10 0 FFAELP COC(=O)c1cccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)c1 ZINC000195273842 510752819 /nfs/dbraw/zinc/75/28/19/510752819.db2.gz LMVVOZDXPWCMRI-IBGZPJMESA-N 2 2 353.466 2.822 10 0 FFAELP COC(=O)c1cccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)c1 ZINC000195273842 510752824 /nfs/dbraw/zinc/75/28/24/510752824.db2.gz LMVVOZDXPWCMRI-IBGZPJMESA-N 2 2 353.466 2.822 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000246932724 510754115 /nfs/dbraw/zinc/75/41/15/510754115.db2.gz HDWNSZSUAVWDCS-RTBURBONSA-N 2 2 363.889 2.887 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000246932724 510754127 /nfs/dbraw/zinc/75/41/27/510754127.db2.gz HDWNSZSUAVWDCS-RTBURBONSA-N 2 2 363.889 2.887 10 0 FFAELP C[N@@H+]1CCC[C@H]2CN(C(=O)NCc3ccc(-n4cc[nH+]c4)c(F)c3)CC[C@H]21 ZINC000247272910 510855059 /nfs/dbraw/zinc/85/50/59/510855059.db2.gz SIMZHKYEPPQCSZ-FUHWJXTLSA-N 2 2 371.460 2.637 10 0 FFAELP C[N@H+]1CCC[C@H]2CN(C(=O)NCc3ccc(-n4cc[nH+]c4)c(F)c3)CC[C@H]21 ZINC000247272910 510855060 /nfs/dbraw/zinc/85/50/60/510855060.db2.gz SIMZHKYEPPQCSZ-FUHWJXTLSA-N 2 2 371.460 2.637 10 0 FFAELP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000247494913 510863161 /nfs/dbraw/zinc/86/31/61/510863161.db2.gz XCZAGGMVLAFGAC-JTDSTZFVSA-N 2 2 355.486 2.961 10 0 FFAELP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000247494913 510863162 /nfs/dbraw/zinc/86/31/62/510863162.db2.gz XCZAGGMVLAFGAC-JTDSTZFVSA-N 2 2 355.486 2.961 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000247582474 510866597 /nfs/dbraw/zinc/86/65/97/510866597.db2.gz IPTYREJFAJVAJZ-CABCVRRESA-N 2 2 372.435 2.883 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000247582474 510866598 /nfs/dbraw/zinc/86/65/98/510866598.db2.gz IPTYREJFAJVAJZ-CABCVRRESA-N 2 2 372.435 2.883 10 0 FFAELP C[C@H]1CC[N@H+](CC(=O)Nc2ccnn2C2CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000247782814 510870546 /nfs/dbraw/zinc/87/05/46/510870546.db2.gz XWQHDGLNIPXBHA-DOTOQJQBSA-N 2 2 356.474 2.716 10 0 FFAELP C[C@H]1CC[N@@H+](CC(=O)Nc2ccnn2C2CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000247782814 510870547 /nfs/dbraw/zinc/87/05/47/510870547.db2.gz XWQHDGLNIPXBHA-DOTOQJQBSA-N 2 2 356.474 2.716 10 0 FFAELP Cn1cc([C@H]2[C@H](C[N@H+](C)Cc3ccc4c[nH]nc4c3)CCC[NH+]2C)cn1 ZINC000328622005 511896835 /nfs/dbraw/zinc/89/68/35/511896835.db2.gz AWEQGAXFLUHHIU-FXAWDEMLSA-N 2 2 352.486 2.811 10 0 FFAELP Cn1cc([C@H]2[C@H](C[N@@H+](C)Cc3ccc4c[nH]nc4c3)CCC[NH+]2C)cn1 ZINC000328622005 511896839 /nfs/dbraw/zinc/89/68/39/511896839.db2.gz AWEQGAXFLUHHIU-FXAWDEMLSA-N 2 2 352.486 2.811 10 0 FFAELP Cn1cc([C@H]2[C@H](C[NH+](C)Cc3ccc4c[nH]nc4c3)CCC[N@@H+]2C)cn1 ZINC000328622005 511896842 /nfs/dbraw/zinc/89/68/42/511896842.db2.gz AWEQGAXFLUHHIU-FXAWDEMLSA-N 2 2 352.486 2.811 10 0 FFAELP Cn1cc([C@H]2[C@H](C[NH+](C)Cc3ccc4c[nH]nc4c3)CCC[N@H+]2C)cn1 ZINC000328622005 511896846 /nfs/dbraw/zinc/89/68/46/511896846.db2.gz AWEQGAXFLUHHIU-FXAWDEMLSA-N 2 2 352.486 2.811 10 0 FFAELP C[C@H](CCn1cccn1)[NH2+]C[C@@H]1CCC[N@H+](C2CC2)[C@H]1c1ccnn1C ZINC000284976091 511953235 /nfs/dbraw/zinc/95/32/35/511953235.db2.gz XFXGFEHPMWLNCW-FUHIMQAGSA-N 2 2 356.518 2.601 10 0 FFAELP C[C@H](CCn1cccn1)[NH2+]C[C@@H]1CCC[N@@H+](C2CC2)[C@H]1c1ccnn1C ZINC000284976091 511953242 /nfs/dbraw/zinc/95/32/42/511953242.db2.gz XFXGFEHPMWLNCW-FUHIMQAGSA-N 2 2 356.518 2.601 10 0 FFAELP CCS(=O)(=O)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000391044202 512914602 /nfs/dbraw/zinc/91/46/02/512914602.db2.gz DCOJYQYEFUBEEJ-YQQQUEKLSA-N 2 2 350.528 2.596 10 0 FFAELP CCS(=O)(=O)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000391044202 512914607 /nfs/dbraw/zinc/91/46/07/512914607.db2.gz DCOJYQYEFUBEEJ-YQQQUEKLSA-N 2 2 350.528 2.596 10 0 FFAELP CCOc1cc(C[NH2+]CC[NH2+]CCO)ccc1OCc1ccc(C)cc1 ZINC000020874384 520714633 /nfs/dbraw/zinc/71/46/33/520714633.db2.gz ZQZQGIVNXZCQIC-UHFFFAOYSA-N 2 2 358.482 2.644 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)Nc2cc(OC)cc(OC)c2)C1 ZINC000106214826 250257065 /nfs/dbraw/zinc/25/70/65/250257065.db2.gz OZQLEEUCTAIZSP-INIZCTEOSA-N 2 2 372.469 2.738 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)Nc2cc(OC)cc(OC)c2)C1 ZINC000106214826 250257067 /nfs/dbraw/zinc/25/70/67/250257067.db2.gz OZQLEEUCTAIZSP-INIZCTEOSA-N 2 2 372.469 2.738 10 0 FFAELP OC[C@H]1CCCN1c1cc(NC2CC[NH+](CC3CCCC3)CC2)nc[nH+]1 ZINC000301275820 258038901 /nfs/dbraw/zinc/03/89/01/258038901.db2.gz WKWWRGFOJRZQRT-GOSISDBHSA-N 2 2 359.518 2.504 10 0 FFAELP OC[C@H]1CCCN1c1cc(NC2CC[NH+](CC3CCCC3)CC2)[nH+]cn1 ZINC000301275820 258038903 /nfs/dbraw/zinc/03/89/03/258038903.db2.gz WKWWRGFOJRZQRT-GOSISDBHSA-N 2 2 359.518 2.504 10 0 FFAELP CCOC(=O)c1c[nH+]c2ccc(OC)cc2c1N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000301685046 258063244 /nfs/dbraw/zinc/06/32/44/258063244.db2.gz UGJVNHWVYKJRJO-ACJLOTCBSA-N 2 2 357.454 2.806 10 0 FFAELP Cc1[nH+]ccn1-c1cncc(N2CCC[C@H]2c2[nH+]c3c(n2C)CCCC3)n1 ZINC000328941706 258124689 /nfs/dbraw/zinc/12/46/89/258124689.db2.gz IFEIFGDTNFMDQL-KRWDZBQOSA-N 2 2 363.469 2.925 10 0 FFAELP CCc1[nH+]c(C)nc(N2CC[NH+](C[C@@H](C)O)CC2)c1Cc1ccc(C)cc1 ZINC000036340643 506402047 /nfs/dbraw/zinc/40/20/47/506402047.db2.gz JYVGZERWJHHAFA-QGZVFWFLSA-N 2 2 368.525 2.749 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000109675671 507979953 /nfs/dbraw/zinc/97/99/53/507979953.db2.gz SXUOUKRLDIIJGF-INIZCTEOSA-N 2 2 350.426 2.504 10 0 FFAELP Cn1cc[nH+]c1CC1CC[NH+]([C@@H]2CCN(c3ccccc3F)C2=O)CC1 ZINC000112345567 508176760 /nfs/dbraw/zinc/17/67/60/508176760.db2.gz XPQMGRMGMIUZKO-GOSISDBHSA-N 2 2 356.445 2.619 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N(C)Cc2ccc(F)cc2)C1 ZINC000114720527 508341643 /nfs/dbraw/zinc/34/16/43/508341643.db2.gz HPPXRLONWIKQOU-GOSISDBHSA-N 2 2 358.461 2.880 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N(C)Cc2ccc(F)cc2)C1 ZINC000114720527 508341645 /nfs/dbraw/zinc/34/16/45/508341645.db2.gz HPPXRLONWIKQOU-GOSISDBHSA-N 2 2 358.461 2.880 10 0 FFAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+]([C@@H](C)c3cc(F)ccc3F)CC2)C1 ZINC000106120389 508395949 /nfs/dbraw/zinc/39/59/49/508395949.db2.gz VNPUJCBQHJXMSY-WMZOPIPTSA-N 2 2 367.484 2.753 10 0 FFAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+]([C@@H](C)c3cc(F)ccc3F)CC2)C1 ZINC000106120389 508395950 /nfs/dbraw/zinc/39/59/50/508395950.db2.gz VNPUJCBQHJXMSY-WMZOPIPTSA-N 2 2 367.484 2.753 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NCCc2ccc(F)cc2)C1 ZINC000106216875 508398110 /nfs/dbraw/zinc/39/81/10/508398110.db2.gz FOBNPPJJUHVSJW-QFBILLFUSA-N 2 2 372.488 2.969 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NCCc2ccc(F)cc2)C1 ZINC000106216875 508398111 /nfs/dbraw/zinc/39/81/11/508398111.db2.gz FOBNPPJJUHVSJW-QFBILLFUSA-N 2 2 372.488 2.969 10 0 FFAELP C[C@@H]1CC[C@H](NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c2ccccc21 ZINC000153103900 508548582 /nfs/dbraw/zinc/54/85/82/508548582.db2.gz PJVACDRKRYMBGL-UZLBHIALSA-N 2 2 358.530 2.950 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)Nc2nnc(C(C)C)s2)C1 ZINC000137201695 508743608 /nfs/dbraw/zinc/74/36/08/508743608.db2.gz WCOVSTCVGANENE-CYBMUJFWSA-N 2 2 362.503 2.696 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)Nc2nnc(C(C)C)s2)C1 ZINC000137201695 508743611 /nfs/dbraw/zinc/74/36/11/508743611.db2.gz WCOVSTCVGANENE-CYBMUJFWSA-N 2 2 362.503 2.696 10 0 FFAELP CCOCC[N@@H+]1CCN(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)C[C@@H]1C ZINC000150888421 508915889 /nfs/dbraw/zinc/91/58/89/508915889.db2.gz XKSWIOCZQJGMCC-INIZCTEOSA-N 2 2 371.485 2.662 10 0 FFAELP CCOCC[N@H+]1CCN(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)C[C@@H]1C ZINC000150888421 508915893 /nfs/dbraw/zinc/91/58/93/508915893.db2.gz XKSWIOCZQJGMCC-INIZCTEOSA-N 2 2 371.485 2.662 10 0 FFAELP CC[C@H]1CN(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)CC[N@@H+]1CCOC ZINC000150915041 508921988 /nfs/dbraw/zinc/92/19/88/508921988.db2.gz IVPYWDKANQZNQY-SFHVURJKSA-N 2 2 371.485 2.662 10 0 FFAELP CC[C@H]1CN(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)CC[N@H+]1CCOC ZINC000150915041 508921990 /nfs/dbraw/zinc/92/19/90/508921990.db2.gz IVPYWDKANQZNQY-SFHVURJKSA-N 2 2 371.485 2.662 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@H](O)COCc2cccc(OC)c2)C1 ZINC000155228027 508953380 /nfs/dbraw/zinc/95/33/80/508953380.db2.gz KZEOMHDFZXROPM-OALUTQOASA-N 2 2 373.497 2.669 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@H](O)COCc2cccc(OC)c2)C1 ZINC000155228027 508953382 /nfs/dbraw/zinc/95/33/82/508953382.db2.gz KZEOMHDFZXROPM-OALUTQOASA-N 2 2 373.497 2.669 10 0 FFAELP COC(=O)c1ccccc1-c1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCCC2)o1 ZINC000133293581 509143812 /nfs/dbraw/zinc/14/38/12/509143812.db2.gz DHWSATBGIGESOS-MRXNPFEDSA-N 2 2 372.465 2.670 10 0 FFAELP Cc1cccc(S(=O)(=O)CCC[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000248644772 509412785 /nfs/dbraw/zinc/41/27/85/509412785.db2.gz ZZJPTADIFHVGIU-MJGOQNOKSA-N 2 2 361.511 2.938 10 0 FFAELP Cc1cccc(S(=O)(=O)CCC[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000248644772 509412792 /nfs/dbraw/zinc/41/27/92/509412792.db2.gz ZZJPTADIFHVGIU-MJGOQNOKSA-N 2 2 361.511 2.938 10 0 FFAELP C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248644919 509413740 /nfs/dbraw/zinc/41/37/40/509413740.db2.gz FWUCISGIEKECCQ-YZGWKJHDSA-N 2 2 358.530 2.530 10 0 FFAELP C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248644919 509413752 /nfs/dbraw/zinc/41/37/52/509413752.db2.gz FWUCISGIEKECCQ-YZGWKJHDSA-N 2 2 358.530 2.530 10 0 FFAELP C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248644919 509413758 /nfs/dbraw/zinc/41/37/58/509413758.db2.gz FWUCISGIEKECCQ-YZGWKJHDSA-N 2 2 358.530 2.530 10 0 FFAELP C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248644919 509413766 /nfs/dbraw/zinc/41/37/66/509413766.db2.gz FWUCISGIEKECCQ-YZGWKJHDSA-N 2 2 358.530 2.530 10 0 FFAELP CCOC(=O)c1nn(C)cc1C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000186367929 509672819 /nfs/dbraw/zinc/67/28/19/509672819.db2.gz SQMHGSRIENXBES-CQSZACIVSA-N 2 2 353.426 2.633 10 0 FFAELP COC(=O)[C@H](C)Oc1ccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1 ZINC000180132263 509770253 /nfs/dbraw/zinc/77/02/53/509770253.db2.gz YRMIKEOIHRDKFU-MAUKXSAKSA-N 2 2 357.454 2.796 10 0 FFAELP COC(=O)[C@H](C)Oc1ccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1 ZINC000180132263 509770257 /nfs/dbraw/zinc/77/02/57/509770257.db2.gz YRMIKEOIHRDKFU-MAUKXSAKSA-N 2 2 357.454 2.796 10 0 FFAELP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c(C)c1 ZINC000245446627 509942489 /nfs/dbraw/zinc/94/24/89/509942489.db2.gz ZZTZAOMEGVNKHI-WOJBJXKFSA-N 2 2 372.557 2.732 10 0 FFAELP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c(C)c1 ZINC000245446627 509942494 /nfs/dbraw/zinc/94/24/94/509942494.db2.gz ZZTZAOMEGVNKHI-WOJBJXKFSA-N 2 2 372.557 2.732 10 0 FFAELP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000245480970 509959592 /nfs/dbraw/zinc/95/95/92/509959592.db2.gz XUSQUTWTNBGNFY-QZTJIDSGSA-N 2 2 373.476 2.774 10 0 FFAELP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000245480970 509959596 /nfs/dbraw/zinc/95/95/96/509959596.db2.gz XUSQUTWTNBGNFY-QZTJIDSGSA-N 2 2 373.476 2.774 10 0 FFAELP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)cc1C ZINC000245530799 509985937 /nfs/dbraw/zinc/98/59/37/509985937.db2.gz SMOMKCSHWAZWBN-PZJWPPBQSA-N 2 2 372.557 2.732 10 0 FFAELP 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ZINC000190491846 510162969 /nfs/dbraw/zinc/16/29/69/510162969.db2.gz AYVQNWUKTNYFRO-KRWDZBQOSA-N 2 2 357.454 2.724 10 0 FFAELP COC(=O)c1cc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)oc1C ZINC000190491846 510162976 /nfs/dbraw/zinc/16/29/76/510162976.db2.gz AYVQNWUKTNYFRO-KRWDZBQOSA-N 2 2 357.454 2.724 10 0 FFAELP COC(=O)c1cc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)oc1C ZINC000190491846 510162983 /nfs/dbraw/zinc/16/29/83/510162983.db2.gz AYVQNWUKTNYFRO-KRWDZBQOSA-N 2 2 357.454 2.724 10 0 FFAELP COC(=O)c1cc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)oc1C ZINC000190491846 510162989 /nfs/dbraw/zinc/16/29/89/510162989.db2.gz AYVQNWUKTNYFRO-KRWDZBQOSA-N 2 2 357.454 2.724 10 0 FFAELP C[C@@H](C(=O)N1CCCN(c2cccc[nH+]2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000184234730 510208699 /nfs/dbraw/zinc/20/86/99/510208699.db2.gz IVORDLWYNVEMAM-SFHVURJKSA-N 2 2 364.493 2.567 10 0 FFAELP C[C@@H](C(=O)N1CCCN(c2cccc[nH+]2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000184234730 510208706 /nfs/dbraw/zinc/20/87/06/510208706.db2.gz IVORDLWYNVEMAM-SFHVURJKSA-N 2 2 364.493 2.567 10 0 FFAELP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000246052337 510265347 /nfs/dbraw/zinc/26/53/47/510265347.db2.gz PXIPQKXABNLJFB-MOPGFXCFSA-N 2 2 372.513 2.609 10 0 FFAELP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000246052337 510265350 /nfs/dbraw/zinc/26/53/50/510265350.db2.gz PXIPQKXABNLJFB-MOPGFXCFSA-N 2 2 372.513 2.609 10 0 FFAELP Cc1ccc(CN(C(=O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)C2CC2)o1 ZINC000171641329 510270268 /nfs/dbraw/zinc/27/02/68/510270268.db2.gz QKFUOBZWPRAOFN-QGZVFWFLSA-N 2 2 368.481 2.908 10 0 FFAELP Cc1ccc(CN(C(=O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)C2CC2)o1 ZINC000171641329 510270271 /nfs/dbraw/zinc/27/02/71/510270271.db2.gz QKFUOBZWPRAOFN-QGZVFWFLSA-N 2 2 368.481 2.908 10 0 FFAELP O[C@@H](COc1ccc(Cl)cc1)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000246071153 510274269 /nfs/dbraw/zinc/27/42/69/510274269.db2.gz BXEDEIRPSRRKOQ-NVXWUHKLSA-N 2 2 361.873 2.909 10 0 FFAELP O[C@@H](COc1ccc(Cl)cc1)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000246071153 510274273 /nfs/dbraw/zinc/27/42/73/510274273.db2.gz BXEDEIRPSRRKOQ-NVXWUHKLSA-N 2 2 361.873 2.909 10 0 FFAELP COc1cccc(NC(=O)CC[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000174765955 510300045 /nfs/dbraw/zinc/30/00/45/510300045.db2.gz HOHVWCUJZXPVSP-MRXNPFEDSA-N 2 2 354.454 2.853 10 0 FFAELP COc1cccc(NC(=O)CC[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000174765955 510300053 /nfs/dbraw/zinc/30/00/53/510300053.db2.gz HOHVWCUJZXPVSP-MRXNPFEDSA-N 2 2 354.454 2.853 10 0 FFAELP O=C(C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000246151528 510323356 /nfs/dbraw/zinc/32/33/56/510323356.db2.gz PITYBDYIVFYCOH-LSDHHAIUSA-N 2 2 370.419 2.616 10 0 FFAELP O=C(C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000246151528 510323362 /nfs/dbraw/zinc/32/33/62/510323362.db2.gz PITYBDYIVFYCOH-LSDHHAIUSA-N 2 2 370.419 2.616 10 0 FFAELP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNc2cc(N3CCC[C@H]3CO)[nH+]cn2)C1 ZINC000246171603 510336734 /nfs/dbraw/zinc/33/67/34/510336734.db2.gz OLSXPGIKQRSPHB-KSZLIROESA-N 2 2 361.534 2.608 10 0 FFAELP C[C@@H]1C[C@H](C)C[N@H+](CCCCNc2cc(N3CCC[C@H]3CO)[nH+]cn2)C1 ZINC000246171603 510336739 /nfs/dbraw/zinc/33/67/39/510336739.db2.gz OLSXPGIKQRSPHB-KSZLIROESA-N 2 2 361.534 2.608 10 0 FFAELP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNc2cc(N3CCC[C@H]3CO)nc[nH+]2)C1 ZINC000246171603 510336748 /nfs/dbraw/zinc/33/67/48/510336748.db2.gz OLSXPGIKQRSPHB-KSZLIROESA-N 2 2 361.534 2.608 10 0 FFAELP C[C@@H]1C[C@H](C)C[N@H+](CCCCNc2cc(N3CCC[C@H]3CO)nc[nH+]2)C1 ZINC000246171603 510336753 /nfs/dbraw/zinc/33/67/53/510336753.db2.gz OLSXPGIKQRSPHB-KSZLIROESA-N 2 2 361.534 2.608 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)NC(=O)Nc2ccccc2)C1 ZINC000246267391 510397321 /nfs/dbraw/zinc/39/73/21/510397321.db2.gz GYSLZWPPSVIQKE-WBVHZDCISA-N 2 2 369.469 2.819 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)NC(=O)Nc2ccccc2)C1 ZINC000246267391 510397323 /nfs/dbraw/zinc/39/73/23/510397323.db2.gz GYSLZWPPSVIQKE-WBVHZDCISA-N 2 2 369.469 2.819 10 0 FFAELP CC[N@H+](C)Cc1cccc(CNc2cc(N3CCC[C@H]3CO)nc[nH+]2)c1 ZINC000246600050 510576665 /nfs/dbraw/zinc/57/66/65/510576665.db2.gz KLDGOWCEDICZPD-SFHVURJKSA-N 2 2 355.486 2.502 10 0 FFAELP CC[N@@H+](C)Cc1cccc(CNc2cc(N3CCC[C@H]3CO)nc[nH+]2)c1 ZINC000246600050 510576674 /nfs/dbraw/zinc/57/66/74/510576674.db2.gz KLDGOWCEDICZPD-SFHVURJKSA-N 2 2 355.486 2.502 10 0 FFAELP CC[N@H+](C)Cc1cccc(CNc2cc(N3CCC[C@H]3CO)[nH+]cn2)c1 ZINC000246600050 510576681 /nfs/dbraw/zinc/57/66/81/510576681.db2.gz KLDGOWCEDICZPD-SFHVURJKSA-N 2 2 355.486 2.502 10 0 FFAELP CC[N@@H+](C)Cc1cccc(CNc2cc(N3CCC[C@H]3CO)[nH+]cn2)c1 ZINC000246600050 510576684 /nfs/dbraw/zinc/57/66/84/510576684.db2.gz KLDGOWCEDICZPD-SFHVURJKSA-N 2 2 355.486 2.502 10 0 FFAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC(=O)N(C2CC2)C2CCCC2)C1 ZINC000195271564 510750775 /nfs/dbraw/zinc/75/07/75/510750775.db2.gz GHIDJZQBTGBZRO-LJQANCHMSA-N 2 2 370.541 2.769 10 0 FFAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC(=O)N(C2CC2)C2CCCC2)C1 ZINC000195271564 510750783 /nfs/dbraw/zinc/75/07/83/510750783.db2.gz GHIDJZQBTGBZRO-LJQANCHMSA-N 2 2 370.541 2.769 10 0 FFAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CC(=O)N(C2CC2)C2CCCC2)C1 ZINC000195271564 510750791 /nfs/dbraw/zinc/75/07/91/510750791.db2.gz GHIDJZQBTGBZRO-LJQANCHMSA-N 2 2 370.541 2.769 10 0 FFAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CC(=O)N(C2CC2)C2CCCC2)C1 ZINC000195271564 510750799 /nfs/dbraw/zinc/75/07/99/510750799.db2.gz GHIDJZQBTGBZRO-LJQANCHMSA-N 2 2 370.541 2.769 10 0 FFAELP C[C@@H]1CC[N@H+](CC(=O)N2CCSc3ccccc32)C[C@H]1n1cc[nH+]c1 ZINC000247448701 510861167 /nfs/dbraw/zinc/86/11/67/510861167.db2.gz JCKUERYOKNVRIH-NVXWUHKLSA-N 2 2 356.495 2.905 10 0 FFAELP C[C@@H]1CC[N@@H+](CC(=O)N2CCSc3ccccc32)C[C@H]1n1cc[nH+]c1 ZINC000247448701 510861168 /nfs/dbraw/zinc/86/11/68/510861168.db2.gz JCKUERYOKNVRIH-NVXWUHKLSA-N 2 2 356.495 2.905 10 0 FFAELP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCC[C@H]1c1ccco1 ZINC000247568838 510866059 /nfs/dbraw/zinc/86/60/59/510866059.db2.gz WGDUWMBNXUYTOZ-IRXDYDNUSA-N 2 2 354.454 2.549 10 0 FFAELP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCC[C@H]1c1ccco1 ZINC000247568838 510866060 /nfs/dbraw/zinc/86/60/60/510866060.db2.gz WGDUWMBNXUYTOZ-IRXDYDNUSA-N 2 2 354.454 2.549 10 0 FFAELP CCn1cc([C@H]2OCCC[C@@H]2[NH2+]C2CC[NH+](Cc3cccnc3)CC2)cn1 ZINC000328656866 511911388 /nfs/dbraw/zinc/91/13/88/511911388.db2.gz ZSHPOHPQUKUVIT-LEWJYISDSA-N 2 2 369.513 2.772 10 0 FFAELP CC1CC[NH+](C[C@@H]2CCCN(C(=O)NCc3cn4c([nH+]3)CCCC4)C2)CC1 ZINC000408059491 512991269 /nfs/dbraw/zinc/99/12/69/512991269.db2.gz HHMBAOFXEGPSAN-SFHVURJKSA-N 2 2 373.545 2.873 10 0 FFAELP CC(C)[C@@H]1OCCC[C@@H]1Nc1nc(NC[C@@H]2CCCn3cc[nH+]c32)cc[nH+]1 ZINC000330149161 990816839 /nfs/dbraw/zinc/81/68/39/990816839.db2.gz VAGPANOATMRWOD-BQFCYCMXSA-N 2 2 370.501 3.278 10 0 FFAELP C[C@@H]1CCCN(c2cc(NC3CC[NH+]([C@H]4CCCC[C@H]4O)CC3)nc[nH+]2)C1 ZINC000301718246 258064218 /nfs/dbraw/zinc/06/42/18/258064218.db2.gz YRHQZTBUGLNSTC-NZSAHSFTSA-N 2 2 373.545 2.893 10 0 FFAELP C[C@@H]1CCCN(c2cc(NC3CC[NH+]([C@H]4CCCC[C@H]4O)CC3)[nH+]cn2)C1 ZINC000301718246 258064219 /nfs/dbraw/zinc/06/42/19/258064219.db2.gz YRHQZTBUGLNSTC-NZSAHSFTSA-N 2 2 373.545 2.893 10 0 FFAELP OC[C@@H]1CCCN(c2cc(N3CCC[C@H]([NH+]4CCCCCC4)C3)nc[nH+]2)C1 ZINC000301990829 258081136 /nfs/dbraw/zinc/08/11/36/258081136.db2.gz PFOVVBVPNIXOLC-MOPGFXCFSA-N 2 2 373.545 2.530 10 0 FFAELP CC(C)[C@@H]1OCCC[C@@H]1Nc1nc(N2CC[N@@H+]3CCCC[C@@H]3C2)cc[nH+]1 ZINC000330137925 258156266 /nfs/dbraw/zinc/15/62/66/258156266.db2.gz ODODZKGZLMVHKS-AOIWGVFYSA-N 2 2 359.518 2.767 10 0 FFAELP CC(C)[C@@H]1OCCC[C@@H]1Nc1nc(N2CC[N@H+]3CCCC[C@@H]3C2)cc[nH+]1 ZINC000330137925 258156267 /nfs/dbraw/zinc/15/62/67/258156267.db2.gz ODODZKGZLMVHKS-AOIWGVFYSA-N 2 2 359.518 2.767 10 0 FFAELP C[C@@H]1CN(C(=O)c2ccc(-c3cnco3)cc2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000329100517 258129168 /nfs/dbraw/zinc/12/91/68/258129168.db2.gz MOIZJTKEKDLISL-MRXNPFEDSA-N 2 2 368.481 2.582 10 0 FFAELP C[C@@H]1CN(C(=O)c2ccc(-c3cnco3)cc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000329100517 258129169 /nfs/dbraw/zinc/12/91/69/258129169.db2.gz MOIZJTKEKDLISL-MRXNPFEDSA-N 2 2 368.481 2.582 10 0 FFAELP C[NH+](C)C[C@@](C)(O)c1ccc2c(c1)C[N@@H+](Cc1cccc(F)c1)CCO2 ZINC000014993413 507009969 /nfs/dbraw/zinc/00/99/69/507009969.db2.gz WLXRCCRMLJNSEA-OAQYLSRUSA-N 2 2 358.457 2.989 10 0 FFAELP C[NH+](C)C[C@@](C)(O)c1ccc2c(c1)C[N@H+](Cc1cccc(F)c1)CCO2 ZINC000014993413 507009975 /nfs/dbraw/zinc/00/99/75/507009975.db2.gz WLXRCCRMLJNSEA-OAQYLSRUSA-N 2 2 358.457 2.989 10 0 FFAELP COc1ccc(Cl)cc1C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000109751335 507984203 /nfs/dbraw/zinc/98/42/03/507984203.db2.gz CVZZVPJXYMBWPQ-SFHVURJKSA-N 2 2 351.922 2.951 10 0 FFAELP COc1ccc(Cl)cc1C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000109751335 507984204 /nfs/dbraw/zinc/98/42/04/507984204.db2.gz CVZZVPJXYMBWPQ-SFHVURJKSA-N 2 2 351.922 2.951 10 0 FFAELP C[C@@H](NC(=O)N(C)CC1CC[NH+](C)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000076470921 508210429 /nfs/dbraw/zinc/21/04/29/508210429.db2.gz RHWCTOBRUCZOQM-MRXNPFEDSA-N 2 2 355.486 2.917 10 0 FFAELP C[C@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc2c(c1)OCCO2 ZINC000098144136 508237444 /nfs/dbraw/zinc/23/74/44/508237444.db2.gz GDFIOOWTJFAAFQ-JXFKEZNVSA-N 2 2 368.477 2.528 10 0 FFAELP C[C@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc2c(c1)OCCO2 ZINC000098144136 508237446 /nfs/dbraw/zinc/23/74/46/508237446.db2.gz GDFIOOWTJFAAFQ-JXFKEZNVSA-N 2 2 368.477 2.528 10 0 FFAELP COc1ccc(OC)c([C@@H](C)[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000098143854 508237670 /nfs/dbraw/zinc/23/76/70/508237670.db2.gz BEOMYTIUVWXQMI-APWZRJJASA-N 2 2 370.493 2.774 10 0 FFAELP COc1ccc(OC)c([C@@H](C)[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000098143854 508237672 /nfs/dbraw/zinc/23/76/72/508237672.db2.gz BEOMYTIUVWXQMI-APWZRJJASA-N 2 2 370.493 2.774 10 0 FFAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+]([C@@H](C)c3ccc(F)cc3F)CC2)C1 ZINC000106120437 508396208 /nfs/dbraw/zinc/39/62/08/508396208.db2.gz PXNARRCYLDPRFY-WMZOPIPTSA-N 2 2 367.484 2.753 10 0 FFAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+]([C@@H](C)c3ccc(F)cc3F)CC2)C1 ZINC000106120437 508396209 /nfs/dbraw/zinc/39/62/09/508396209.db2.gz PXNARRCYLDPRFY-WMZOPIPTSA-N 2 2 367.484 2.753 10 0 FFAELP CC1CC[NH+](CCN(C)C[C@H](c2cccs2)[NH+]2CCOCC2)CC1 ZINC000153821560 508656520 /nfs/dbraw/zinc/65/65/20/508656520.db2.gz HTDWXENWAYFRMW-GOSISDBHSA-N 2 2 351.560 2.785 10 0 FFAELP Cn1cc[nH+]c1CC1CC[NH+]([C@@H]2CCN(c3c(F)cccc3F)C2=O)CC1 ZINC000120553760 509020102 /nfs/dbraw/zinc/02/01/02/509020102.db2.gz IDWNAUZOXHTPDS-QGZVFWFLSA-N 2 2 374.435 2.758 10 0 FFAELP COc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000247953378 509196842 /nfs/dbraw/zinc/19/68/42/509196842.db2.gz FHAUKHIFYBEWID-CZUORRHYSA-N 2 2 351.878 2.703 10 0 FFAELP COc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000247953378 509196847 /nfs/dbraw/zinc/19/68/47/509196847.db2.gz FHAUKHIFYBEWID-CZUORRHYSA-N 2 2 351.878 2.703 10 0 FFAELP COc1ccc(Cl)cc1NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247953378 509196851 /nfs/dbraw/zinc/19/68/51/509196851.db2.gz FHAUKHIFYBEWID-CZUORRHYSA-N 2 2 351.878 2.703 10 0 FFAELP COc1ccc(Cl)cc1NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000247953378 509196856 /nfs/dbraw/zinc/19/68/56/509196856.db2.gz FHAUKHIFYBEWID-CZUORRHYSA-N 2 2 351.878 2.703 10 0 FFAELP CCCOc1cccc(CNC(=O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000247990350 509211128 /nfs/dbraw/zinc/21/11/28/509211128.db2.gz JHRGFCAQKNEKDB-ICSRJNTNSA-N 2 2 359.514 2.508 10 0 FFAELP CCCOc1cccc(CNC(=O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000247990350 509211133 /nfs/dbraw/zinc/21/11/33/509211133.db2.gz JHRGFCAQKNEKDB-ICSRJNTNSA-N 2 2 359.514 2.508 10 0 FFAELP CCCOc1cccc(CNC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000247990350 509211138 /nfs/dbraw/zinc/21/11/38/509211138.db2.gz JHRGFCAQKNEKDB-ICSRJNTNSA-N 2 2 359.514 2.508 10 0 FFAELP CCCOc1cccc(CNC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000247990350 509211145 /nfs/dbraw/zinc/21/11/45/509211145.db2.gz JHRGFCAQKNEKDB-ICSRJNTNSA-N 2 2 359.514 2.508 10 0 FFAELP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000175921554 509217201 /nfs/dbraw/zinc/21/72/01/509217201.db2.gz REJWZAHDMIOJNT-PKOBYXMFSA-N 2 2 367.497 2.504 10 0 FFAELP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000175921554 509217211 /nfs/dbraw/zinc/21/72/11/509217211.db2.gz REJWZAHDMIOJNT-PKOBYXMFSA-N 2 2 367.497 2.504 10 0 FFAELP CC[NH+]1CCC(CCNC(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)CC1 ZINC000175949472 509233366 /nfs/dbraw/zinc/23/33/66/509233366.db2.gz XCEIMOUHQHCCIT-UHFFFAOYSA-N 2 2 361.534 2.733 10 0 FFAELP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC=C(c3cccs3)CC2)CC1 ZINC000179316024 509370190 /nfs/dbraw/zinc/37/01/90/509370190.db2.gz IRAOMOBQZNSCTI-UHFFFAOYSA-N 2 2 362.543 2.573 10 0 FFAELP CC[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248640398 509408232 /nfs/dbraw/zinc/40/82/32/509408232.db2.gz CAESTMNTWADKCP-PMACEKPBSA-N 2 2 358.530 2.626 10 0 FFAELP CC[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248640398 509408235 /nfs/dbraw/zinc/40/82/35/509408235.db2.gz CAESTMNTWADKCP-PMACEKPBSA-N 2 2 358.530 2.626 10 0 FFAELP CC[C@H]1CCCCN1C(=O)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248640398 509408243 /nfs/dbraw/zinc/40/82/43/509408243.db2.gz CAESTMNTWADKCP-PMACEKPBSA-N 2 2 358.530 2.626 10 0 FFAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2CCCN(C(C)C)C2=O)C1 ZINC000248662640 509426456 /nfs/dbraw/zinc/42/64/56/509426456.db2.gz YPBOOJVJADMGEP-IRXDYDNUSA-N 2 2 364.559 2.605 10 0 FFAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+]([C@H]2CCCN(C(C)C)C2=O)C1 ZINC000248662640 509426465 /nfs/dbraw/zinc/42/64/65/509426465.db2.gz YPBOOJVJADMGEP-IRXDYDNUSA-N 2 2 364.559 2.605 10 0 FFAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+]([C@H]2CCCN(C(C)C)C2=O)C1 ZINC000248662640 509426470 /nfs/dbraw/zinc/42/64/70/509426470.db2.gz YPBOOJVJADMGEP-IRXDYDNUSA-N 2 2 364.559 2.605 10 0 FFAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+]([C@H]2CCCN(C(C)C)C2=O)C1 ZINC000248662640 509426477 /nfs/dbraw/zinc/42/64/77/509426477.db2.gz YPBOOJVJADMGEP-IRXDYDNUSA-N 2 2 364.559 2.605 10 0 FFAELP O[C@H](C[NH+]1CCC[C@@H](C(F)(F)F)C1)C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000248751139 509469646 /nfs/dbraw/zinc/46/96/46/509469646.db2.gz UHYOWMLUCCGHCM-CLLJXQQHSA-N 2 2 362.358 2.896 10 0 FFAELP O[C@@H](C[NH+]1CCC[C@H](C(F)(F)F)C1)C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000248751139 509469654 /nfs/dbraw/zinc/46/96/54/509469654.db2.gz UHYOWMLUCCGHCM-CLLJXQQHSA-N 2 2 362.358 2.896 10 0 FFAELP O[C@@H](C[NH+]1CCC[C@H](C(F)(F)F)C1)C[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000248751139 509469660 /nfs/dbraw/zinc/46/96/60/509469660.db2.gz UHYOWMLUCCGHCM-CLLJXQQHSA-N 2 2 362.358 2.896 10 0 FFAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H]2CCc3c(cccc3OC)C2)nc[nH+]1 ZINC000249093608 509601303 /nfs/dbraw/zinc/60/13/03/509601303.db2.gz TTZRPGVKXKZGAT-IRXDYDNUSA-N 2 2 367.497 2.643 10 0 FFAELP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1nc2ccc(Cl)cc2n1C ZINC000180044515 509722206 /nfs/dbraw/zinc/72/22/06/509722206.db2.gz MIGKLJGEMUCRHU-DZGCQCFKSA-N 2 2 350.894 2.724 10 0 FFAELP C[NH+](C)CC[C@H](NC(=O)N1CCCN(c2cccc[nH+]2)CC1)C(C)(C)C ZINC000186503140 509743048 /nfs/dbraw/zinc/74/30/48/509743048.db2.gz GJHDYVVRWNTKTF-KRWDZBQOSA-N 2 2 361.534 2.670 10 0 FFAELP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177354758 510010907 /nfs/dbraw/zinc/01/09/07/510010907.db2.gz CVLDHMXPNYJCJO-IAGOWNOFSA-N 2 2 373.526 2.956 10 0 FFAELP C[N@@H+]1CC[C@H](NC(=O)NCCc2cn3ccccc3[nH+]2)[C@H]1c1ccccc1 ZINC000245622751 510045541 /nfs/dbraw/zinc/04/55/41/510045541.db2.gz FPVCCHKDKONEGP-AZUAARDMSA-N 2 2 363.465 2.621 10 0 FFAELP CCc1nn(C)c(CC)c1C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190481038 510155377 /nfs/dbraw/zinc/15/53/77/510155377.db2.gz BLYLHVHDCJLPRV-SFHVURJKSA-N 2 2 355.530 2.894 10 0 FFAELP CCc1nn(C)c(CC)c1C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190481038 510155385 /nfs/dbraw/zinc/15/53/85/510155385.db2.gz BLYLHVHDCJLPRV-SFHVURJKSA-N 2 2 355.530 2.894 10 0 FFAELP CCc1nn(C)c(CC)c1C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190481038 510155391 /nfs/dbraw/zinc/15/53/91/510155391.db2.gz BLYLHVHDCJLPRV-SFHVURJKSA-N 2 2 355.530 2.894 10 0 FFAELP CCc1nn(C)c(CC)c1C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190481038 510155395 /nfs/dbraw/zinc/15/53/95/510155395.db2.gz BLYLHVHDCJLPRV-SFHVURJKSA-N 2 2 355.530 2.894 10 0 FFAELP CC(=O)c1ccc(NC(=O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171647855 510277999 /nfs/dbraw/zinc/27/79/99/510277999.db2.gz NQHZNRQWDSYLMQ-MRXNPFEDSA-N 2 2 352.438 2.657 10 0 FFAELP CC(=O)c1ccc(NC(=O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171647855 510278003 /nfs/dbraw/zinc/27/80/03/510278003.db2.gz NQHZNRQWDSYLMQ-MRXNPFEDSA-N 2 2 352.438 2.657 10 0 FFAELP O[C@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1cccc(Br)c1 ZINC000246207690 510363533 /nfs/dbraw/zinc/36/35/33/510363533.db2.gz ORNFRFVSKDUYCU-WMLDXEAASA-N 2 2 353.304 2.900 10 0 FFAELP O[C@H](C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1cccc(Br)c1 ZINC000246207690 510363538 /nfs/dbraw/zinc/36/35/38/510363538.db2.gz ORNFRFVSKDUYCU-WMLDXEAASA-N 2 2 353.304 2.900 10 0 FFAELP Cc1c([C@H](C)[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)cnn1C(C)C ZINC000191164171 510531017 /nfs/dbraw/zinc/53/10/17/510531017.db2.gz YNQJYOPSLNFGNA-JXFKEZNVSA-N 2 2 356.514 2.842 10 0 FFAELP Cc1c([C@H](C)[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)cnn1C(C)C ZINC000191164171 510531020 /nfs/dbraw/zinc/53/10/20/510531020.db2.gz YNQJYOPSLNFGNA-JXFKEZNVSA-N 2 2 356.514 2.842 10 0 FFAELP Cc1ccc2c(c1)[C@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)[C@H](C)C2 ZINC000181677543 510535582 /nfs/dbraw/zinc/53/55/82/510535582.db2.gz GCEAANLZVFSYKK-OXQOHEQNSA-N 2 2 358.530 2.554 10 0 FFAELP CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195256191 510741157 /nfs/dbraw/zinc/74/11/57/510741157.db2.gz GFCULKUKFAQUMO-JKSUJKDBSA-N 2 2 366.575 2.899 10 0 FFAELP CCC(C)(C)NC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195256191 510741166 /nfs/dbraw/zinc/74/11/66/510741166.db2.gz GFCULKUKFAQUMO-JKSUJKDBSA-N 2 2 366.575 2.899 10 0 FFAELP CCC(C)(C)NC(=O)[C@H](C)[NH+]1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195256191 510741173 /nfs/dbraw/zinc/74/11/73/510741173.db2.gz GFCULKUKFAQUMO-JKSUJKDBSA-N 2 2 366.575 2.899 10 0 FFAELP CCC(C)(C)NC(=O)[C@H](C)[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195256191 510741184 /nfs/dbraw/zinc/74/11/84/510741184.db2.gz GFCULKUKFAQUMO-JKSUJKDBSA-N 2 2 366.575 2.899 10 0 FFAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](CC(=O)NCCC(C)(C)C)C1 ZINC000195265474 510746792 /nfs/dbraw/zinc/74/67/92/510746792.db2.gz MVHOOQMWESERPD-MRXNPFEDSA-N 2 2 366.575 2.758 10 0 FFAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](CC(=O)NCCC(C)(C)C)C1 ZINC000195265474 510746796 /nfs/dbraw/zinc/74/67/96/510746796.db2.gz MVHOOQMWESERPD-MRXNPFEDSA-N 2 2 366.575 2.758 10 0 FFAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](CC(=O)NCCC(C)(C)C)C1 ZINC000195265474 510746802 /nfs/dbraw/zinc/74/68/02/510746802.db2.gz MVHOOQMWESERPD-MRXNPFEDSA-N 2 2 366.575 2.758 10 0 FFAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NCCC(C)(C)C)C1 ZINC000195265474 510746806 /nfs/dbraw/zinc/74/68/06/510746806.db2.gz MVHOOQMWESERPD-MRXNPFEDSA-N 2 2 366.575 2.758 10 0 FFAELP C[C@H](C1CC1)N(C(=O)C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1)C1CC1 ZINC000195275037 510753048 /nfs/dbraw/zinc/75/30/48/510753048.db2.gz KJDCFQAPUHPERF-IEBWSBKVSA-N 2 2 370.541 2.625 10 0 FFAELP C[C@H](C1CC1)N(C(=O)C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1)C1CC1 ZINC000195275037 510753049 /nfs/dbraw/zinc/75/30/49/510753049.db2.gz KJDCFQAPUHPERF-IEBWSBKVSA-N 2 2 370.541 2.625 10 0 FFAELP C[C@H](C1CC1)N(C(=O)C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1)C1CC1 ZINC000195275037 510753053 /nfs/dbraw/zinc/75/30/53/510753053.db2.gz KJDCFQAPUHPERF-IEBWSBKVSA-N 2 2 370.541 2.625 10 0 FFAELP C[C@H](C1CC1)N(C(=O)C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1)C1CC1 ZINC000195275037 510753058 /nfs/dbraw/zinc/75/30/58/510753058.db2.gz KJDCFQAPUHPERF-IEBWSBKVSA-N 2 2 370.541 2.625 10 0 FFAELP C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195295962 510768014 /nfs/dbraw/zinc/76/80/14/510768014.db2.gz JMXFQJPWYMIYTC-NRSPTQNISA-N 2 2 372.557 2.872 10 0 FFAELP C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195295962 510768021 /nfs/dbraw/zinc/76/80/21/510768021.db2.gz JMXFQJPWYMIYTC-NRSPTQNISA-N 2 2 372.557 2.872 10 0 FFAELP C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195295962 510768027 /nfs/dbraw/zinc/76/80/27/510768027.db2.gz JMXFQJPWYMIYTC-NRSPTQNISA-N 2 2 372.557 2.872 10 0 FFAELP C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195295962 510768031 /nfs/dbraw/zinc/76/80/31/510768031.db2.gz JMXFQJPWYMIYTC-NRSPTQNISA-N 2 2 372.557 2.872 10 0 FFAELP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)C1 ZINC000333034270 511179996 /nfs/dbraw/zinc/17/99/96/511179996.db2.gz SHHNKMFPYJGFRK-MISYRCLQSA-N 2 2 367.497 2.893 10 0 FFAELP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)C1 ZINC000333034270 511179997 /nfs/dbraw/zinc/17/99/97/511179997.db2.gz SHHNKMFPYJGFRK-MISYRCLQSA-N 2 2 367.497 2.893 10 0 FFAELP Cc1ccc(O)c(C[NH2+]C[C@@H]2CCC[N@H+](C3CC3)[C@H]2c2ccnn2C)n1 ZINC000284625721 511800353 /nfs/dbraw/zinc/80/03/53/511800353.db2.gz SVEHJIUURAOXRD-MGPUTAFESA-N 2 2 355.486 2.534 10 0 FFAELP Cc1ccc(O)c(C[NH2+]C[C@@H]2CCC[N@@H+](C3CC3)[C@H]2c2ccnn2C)n1 ZINC000284625721 511800356 /nfs/dbraw/zinc/80/03/56/511800356.db2.gz SVEHJIUURAOXRD-MGPUTAFESA-N 2 2 355.486 2.534 10 0 FFAELP CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]Cc2c[nH+]c3ccc(C)cn23)cn1 ZINC000328633172 511901477 /nfs/dbraw/zinc/90/14/77/511901477.db2.gz LUUHSCAVNWSMSH-APWZRJJASA-N 2 2 352.442 2.809 10 0 FFAELP CCn1cc[nH+]c1CN(C(=O)c1ccc(F)cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000370165553 512798944 /nfs/dbraw/zinc/79/89/44/512798944.db2.gz WNLOMQWMTOAXEN-QGZVFWFLSA-N 2 2 356.445 2.827 10 0 FFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cn1nc2nc(C)cc(C)n2c1=S ZINC000176079644 729108244 /nfs/dbraw/zinc/10/82/44/729108244.db2.gz HNDTUBDHPLNYEX-HNNXBMFYSA-N 2 2 357.487 2.504 10 0 FFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cn1nc2nc(C)cc(C)n2c1=S ZINC000176079644 729108246 /nfs/dbraw/zinc/10/82/46/729108246.db2.gz HNDTUBDHPLNYEX-HNNXBMFYSA-N 2 2 357.487 2.504 10 0 FFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cn1nc(N(C)C)n(C(C)C)c1=S ZINC000176085027 729108798 /nfs/dbraw/zinc/10/87/98/729108798.db2.gz MSAHNBUOMRLTTE-HNNXBMFYSA-N 2 2 363.535 2.688 10 0 FFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cn1nc(N(C)C)n(C(C)C)c1=S ZINC000176085027 729108799 /nfs/dbraw/zinc/10/87/99/729108799.db2.gz MSAHNBUOMRLTTE-HNNXBMFYSA-N 2 2 363.535 2.688 10 0 FFAELP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc[nH+]c(NC[C@H]2CCCn3cc[nH+]c32)n1 ZINC000333243919 1007422099 /nfs/dbraw/zinc/42/20/99/1007422099.db2.gz IYFPWPAYUXLLSI-RYRKJORJSA-N 2 2 370.501 3.278 10 0 FFAELP Cn1nc(-c2ccccc2)c(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1Cl ZINC000093665278 250041993 /nfs/dbraw/zinc/04/19/93/250041993.db2.gz ZVEFTOIRWXADAF-INIZCTEOSA-N 2 2 374.916 2.895 10 0 FFAELP Cn1nc(-c2ccccc2)c(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1Cl ZINC000093665278 250041997 /nfs/dbraw/zinc/04/19/97/250041997.db2.gz ZVEFTOIRWXADAF-INIZCTEOSA-N 2 2 374.916 2.895 10 0 FFAELP O=C(CC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)N1CCc2ccccc21 ZINC000103473695 250153579 /nfs/dbraw/zinc/15/35/79/250153579.db2.gz GNAPJBCHSSMTQG-QGZVFWFLSA-N 2 2 350.466 2.795 10 0 FFAELP O=C(CC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)N1CCc2ccccc21 ZINC000103473695 250153582 /nfs/dbraw/zinc/15/35/82/250153582.db2.gz GNAPJBCHSSMTQG-QGZVFWFLSA-N 2 2 350.466 2.795 10 0 FFAELP Cn1cc[nH+]c1CC1CC[NH+](CC(=O)Nc2nc3c(s2)CCCC3)CC1 ZINC000106163459 250246715 /nfs/dbraw/zinc/24/67/15/250246715.db2.gz ALJZZRWPEQUTHR-UHFFFAOYSA-N 2 2 373.526 2.649 10 0 FFAELP Cc1nc(NC(=O)[C@@H](C)[NH+]2CCC(Cc3[nH+]ccn3C)CC2)sc1C ZINC000106163863 250247080 /nfs/dbraw/zinc/24/70/80/250247080.db2.gz KERNUJIHDBXXKC-CYBMUJFWSA-N 2 2 361.515 2.775 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)Nc2nc3c(s2)CCC3)C1 ZINC000106212869 250255335 /nfs/dbraw/zinc/25/53/35/250255335.db2.gz WGCWBFJZUPSKLX-CYBMUJFWSA-N 2 2 359.499 2.666 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)Nc2nc3c(s2)CCC3)C1 ZINC000106212869 250255338 /nfs/dbraw/zinc/25/53/38/250255338.db2.gz WGCWBFJZUPSKLX-CYBMUJFWSA-N 2 2 359.499 2.666 10 0 FFAELP Cc1cccc(N2CCC(NC(=O)c3cccc(-n4cc[nH+]c4)c3)CC2)[nH+]1 ZINC000117675672 250357084 /nfs/dbraw/zinc/35/70/84/250357084.db2.gz NVYYFORWDMEAMW-UHFFFAOYSA-N 2 2 361.449 2.975 10 0 FFAELP OC[C@@H]1CCCN(c2cc(N3CCC[C@@H]([NH+]4CCCCCC4)C3)nc[nH+]2)C1 ZINC000301990830 258081111 /nfs/dbraw/zinc/08/11/11/258081111.db2.gz PFOVVBVPNIXOLC-RTBURBONSA-N 2 2 373.545 2.530 10 0 FFAELP CCc1noc([C@H](C)[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)n1 ZINC000330214980 258159030 /nfs/dbraw/zinc/15/90/30/258159030.db2.gz GPLVNRXOWLXOJZ-JYJNAYRXSA-N 2 2 350.507 2.904 10 0 FFAELP O=C(c1ccc(C[NH+]2CCSCC2)cc1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000329373800 258136657 /nfs/dbraw/zinc/13/66/57/258136657.db2.gz NFLIBFGULOBERR-QGZVFWFLSA-N 2 2 356.495 2.936 10 0 FFAELP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C1)CCC2 ZINC000332695111 258240527 /nfs/dbraw/zinc/24/05/27/258240527.db2.gz XHEKJHVFRMTEHQ-LNLFQRSKSA-N 2 2 371.529 2.727 10 0 FFAELP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C1)CCC2 ZINC000332695111 258240528 /nfs/dbraw/zinc/24/05/28/258240528.db2.gz XHEKJHVFRMTEHQ-LNLFQRSKSA-N 2 2 371.529 2.727 10 0 FFAELP CCc1cc(N2CCC3(CC2)C[N@H+](C)CCC[NH+]3C)n2nc(C)c(C)c2n1 ZINC000072412042 136145717 /nfs/dbraw/zinc/14/57/17/136145717.db2.gz LTSDJFPRHIGDGM-UHFFFAOYSA-N 2 2 370.545 2.515 10 0 FFAELP CCc1cc(N2CCC3(CC2)C[N@@H+](C)CCC[NH+]3C)n2nc(C)c(C)c2n1 ZINC000072412042 136145718 /nfs/dbraw/zinc/14/57/18/136145718.db2.gz LTSDJFPRHIGDGM-UHFFFAOYSA-N 2 2 370.545 2.515 10 0 FFAELP CCc1cc(N2CCC3(CC2)C[NH+](C)CCC[N@@H+]3C)n2nc(C)c(C)c2n1 ZINC000072412042 136145719 /nfs/dbraw/zinc/14/57/19/136145719.db2.gz LTSDJFPRHIGDGM-UHFFFAOYSA-N 2 2 370.545 2.515 10 0 FFAELP CCc1cc(N2CCC3(CC2)C[NH+](C)CCC[N@H+]3C)n2nc(C)c(C)c2n1 ZINC000072412042 136145720 /nfs/dbraw/zinc/14/57/20/136145720.db2.gz LTSDJFPRHIGDGM-UHFFFAOYSA-N 2 2 370.545 2.515 10 0 FFAELP CNc1cc(N2CCC[C@H]2C[NH2+]CC2=Cc3ccccc3OC2)nc[nH+]1 ZINC000109069859 507936087 /nfs/dbraw/zinc/93/60/87/507936087.db2.gz YPXSFPYDSJPPRL-KRWDZBQOSA-N 2 2 351.454 2.553 10 0 FFAELP C[C@@H](NC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000073717015 507948279 /nfs/dbraw/zinc/94/82/79/507948279.db2.gz STSAXWMDEJPTDR-HZPDHXFCSA-N 2 2 353.470 2.717 10 0 FFAELP C[C@@H](NC(=O)NC[C@H]1CC[N@H+](C2CC2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000073717015 507948283 /nfs/dbraw/zinc/94/82/83/507948283.db2.gz STSAXWMDEJPTDR-HZPDHXFCSA-N 2 2 353.470 2.717 10 0 FFAELP C[C@@H](c1ccc(F)cc1F)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000109790165 507986997 /nfs/dbraw/zinc/98/69/97/507986997.db2.gz KSCDNEXBFCNLAS-HNNXBMFYSA-N 2 2 365.468 2.902 10 0 FFAELP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1ccccc1OCC[NH+](C)C)C2 ZINC000112670401 508207927 /nfs/dbraw/zinc/20/79/27/508207927.db2.gz GTZMZKGRCKADRP-UHFFFAOYSA-N 2 2 370.497 2.682 10 0 FFAELP CCOc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](n3cc[nH+]c3CC)C2)cc1 ZINC000106212271 508397978 /nfs/dbraw/zinc/39/79/78/508397978.db2.gz WUESIKDSJJWQJW-MSOLQXFVSA-N 2 2 373.497 2.921 10 0 FFAELP CCOc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](n3cc[nH+]c3CC)C2)cc1 ZINC000106212271 508397979 /nfs/dbraw/zinc/39/79/79/508397979.db2.gz WUESIKDSJJWQJW-MSOLQXFVSA-N 2 2 373.497 2.921 10 0 FFAELP O=C(/C=C/c1ccc(-n2cc[nH+]c2)cc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000127318782 508431830 /nfs/dbraw/zinc/43/18/30/508431830.db2.gz FICNBUWNTATDCK-MEQKGCOVSA-N 2 2 350.466 2.830 10 0 FFAELP O=C(C[N@@H+]1CCC[C@@H]1c1ccco1)N1CC[NH+](Cc2cccs2)CC1 ZINC000116298121 508495996 /nfs/dbraw/zinc/49/59/96/508495996.db2.gz JZIXPNMZLQPVGO-QGZVFWFLSA-N 2 2 359.495 2.822 10 0 FFAELP O=C(C[N@H+]1CCC[C@@H]1c1ccco1)N1CC[NH+](Cc2cccs2)CC1 ZINC000116298121 508496000 /nfs/dbraw/zinc/49/60/00/508496000.db2.gz JZIXPNMZLQPVGO-QGZVFWFLSA-N 2 2 359.495 2.822 10 0 FFAELP CC(=O)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000154566886 508811527 /nfs/dbraw/zinc/81/15/27/508811527.db2.gz NWOJZSPQHHGIBK-WMLDXEAASA-N 2 2 354.454 2.886 10 0 FFAELP CC(=O)c1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000154566886 508811531 /nfs/dbraw/zinc/81/15/31/508811531.db2.gz NWOJZSPQHHGIBK-WMLDXEAASA-N 2 2 354.454 2.886 10 0 FFAELP CCC[C@@H](C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)[NH+](C)C ZINC000154943463 508888330 /nfs/dbraw/zinc/88/83/30/508888330.db2.gz WUWCYBVSBQQGLH-KSSFIOAISA-N 2 2 353.457 2.776 10 0 FFAELP CCC[C@@H](C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)[NH+](C)C ZINC000154943463 508888333 /nfs/dbraw/zinc/88/83/33/508888333.db2.gz WUWCYBVSBQQGLH-KSSFIOAISA-N 2 2 353.457 2.776 10 0 FFAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](C/C=C/c3ccc(F)cc3)CC2)C1 ZINC000121056125 509119014 /nfs/dbraw/zinc/11/90/14/509119014.db2.gz XYQHUNULTFITHO-YEFOHOTDSA-N 2 2 361.505 2.566 10 0 FFAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](C/C=C/c3ccc(F)cc3)CC2)C1 ZINC000121056125 509119017 /nfs/dbraw/zinc/11/90/17/509119017.db2.gz XYQHUNULTFITHO-YEFOHOTDSA-N 2 2 361.505 2.566 10 0 FFAELP COCCOc1cccc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1 ZINC000121197901 509148396 /nfs/dbraw/zinc/14/83/96/509148396.db2.gz ZKEZKYPWSJPAES-UHFFFAOYSA-N 2 2 372.513 2.505 10 0 FFAELP COCCOc1cccc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1 ZINC000121197901 509148399 /nfs/dbraw/zinc/14/83/99/509148399.db2.gz ZKEZKYPWSJPAES-UHFFFAOYSA-N 2 2 372.513 2.505 10 0 FFAELP COCC[NH+]1[C@@H](C)CN(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)C[C@@H]1C ZINC000121392153 509171622 /nfs/dbraw/zinc/17/16/22/509171622.db2.gz KQRNVHOOVICYRJ-HOTGVXAUSA-N 2 2 371.485 2.660 10 0 FFAELP C[N@H+]1CC[C@H](NC(=O)N2CCC(n3cc[nH+]c3)CC2)[C@H]1c1ccccc1 ZINC000248044221 509222762 /nfs/dbraw/zinc/22/27/62/509222762.db2.gz MQWSMKHPBXGOAA-RBUKOAKNSA-N 2 2 353.470 2.675 10 0 FFAELP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)Nc3ccccc3OC(F)F)CC[C@H]21 ZINC000248161078 509251833 /nfs/dbraw/zinc/25/18/33/509251833.db2.gz SCWAQVFKMJHSLN-UKRRQHHQSA-N 2 2 353.413 2.643 10 0 FFAELP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)Nc3ccccc3OC(F)F)CC[C@H]21 ZINC000248161078 509251840 /nfs/dbraw/zinc/25/18/40/509251840.db2.gz SCWAQVFKMJHSLN-UKRRQHHQSA-N 2 2 353.413 2.643 10 0 FFAELP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)Nc3ccccc3OC(F)F)CC[C@H]21 ZINC000248161078 509251847 /nfs/dbraw/zinc/25/18/47/509251847.db2.gz SCWAQVFKMJHSLN-UKRRQHHQSA-N 2 2 353.413 2.643 10 0 FFAELP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)Nc3ccccc3OC(F)F)CC[C@H]21 ZINC000248161078 509251854 /nfs/dbraw/zinc/25/18/54/509251854.db2.gz SCWAQVFKMJHSLN-UKRRQHHQSA-N 2 2 353.413 2.643 10 0 FFAELP CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)C1 ZINC000248896589 509534335 /nfs/dbraw/zinc/53/43/35/509534335.db2.gz TZNPHCFKAJUIMX-WBVHZDCISA-N 2 2 350.532 2.621 10 0 FFAELP CC[N@H+]1CCC[C@H](NC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)C1 ZINC000248896589 509534343 /nfs/dbraw/zinc/53/43/43/509534343.db2.gz TZNPHCFKAJUIMX-WBVHZDCISA-N 2 2 350.532 2.621 10 0 FFAELP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186360799 509669552 /nfs/dbraw/zinc/66/95/52/509669552.db2.gz XVCUFTULSNYARJ-IBGZPJMESA-N 2 2 373.545 2.958 10 0 FFAELP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186360799 509669563 /nfs/dbraw/zinc/66/95/63/509669563.db2.gz XVCUFTULSNYARJ-IBGZPJMESA-N 2 2 373.545 2.958 10 0 FFAELP C[C@@H]([NH2+]CCn1cnc2ccccc2c1=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000189911086 509824532 /nfs/dbraw/zinc/82/45/32/509824532.db2.gz SBEWBXLBIFBAMG-MRXNPFEDSA-N 2 2 359.433 2.933 10 0 FFAELP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245443677 509938500 /nfs/dbraw/zinc/93/85/00/509938500.db2.gz XJXFRDWBAYOBLX-WOJBJXKFSA-N 2 2 372.557 2.732 10 0 FFAELP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245443677 509938505 /nfs/dbraw/zinc/93/85/05/509938505.db2.gz XJXFRDWBAYOBLX-WOJBJXKFSA-N 2 2 372.557 2.732 10 0 FFAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H]2CCc3ccc(OC)cc32)nc[nH+]1 ZINC000180564255 509987144 /nfs/dbraw/zinc/98/71/44/509987144.db2.gz BEJQURSIMMVVBD-CRAIPNDOSA-N 2 2 353.470 2.773 10 0 FFAELP COc1ccccc1CNC(=O)C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180647998 510033041 /nfs/dbraw/zinc/03/30/41/510033041.db2.gz TZQJBQXBNFVDFC-INIZCTEOSA-N 2 2 364.449 2.848 10 0 FFAELP CCN(CC(=O)OC(C)(C)C)C1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000190354360 510080747 /nfs/dbraw/zinc/08/07/47/510080747.db2.gz SWCQUHBGUATNMC-UHFFFAOYSA-N 2 2 367.578 2.990 10 0 FFAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCC[C@H]3c3cnn(C)c3)c2cc1C ZINC000245843864 510165587 /nfs/dbraw/zinc/16/55/87/510165587.db2.gz HWILLNZNAGOVQG-HKUYNNGSSA-N 2 2 353.470 2.585 10 0 FFAELP C[C@@H](C(=O)Nc1cccnc1Cl)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171644192 510272449 /nfs/dbraw/zinc/27/24/49/510272449.db2.gz NNTVXXHZJNEECO-UONOGXRCSA-N 2 2 359.861 2.891 10 0 FFAELP C[C@@H](C(=O)Nc1cccnc1Cl)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171644192 510272455 /nfs/dbraw/zinc/27/24/55/510272455.db2.gz NNTVXXHZJNEECO-UONOGXRCSA-N 2 2 359.861 2.891 10 0 FFAELP C[NH+]1CCN([C@H]2CCCC[N@H+](Cc3ncc(-c4ccccc4)o3)C2)CC1 ZINC000174876430 510360225 /nfs/dbraw/zinc/36/02/25/510360225.db2.gz KYAVUHKXVPQQLI-IBGZPJMESA-N 2 2 354.498 2.944 10 0 FFAELP C[NH+]1CCN([C@H]2CCCC[N@@H+](Cc3ncc(-c4ccccc4)o3)C2)CC1 ZINC000174876430 510360231 /nfs/dbraw/zinc/36/02/31/510360231.db2.gz KYAVUHKXVPQQLI-IBGZPJMESA-N 2 2 354.498 2.944 10 0 FFAELP CC[NH+](CC)[C@H](CNc1cc(N2CCC[C@H]2CO)[nH+]cn1)c1ccccc1 ZINC000246219547 510372555 /nfs/dbraw/zinc/37/25/55/510372555.db2.gz YMTOONOVFHCXFK-RBUKOAKNSA-N 2 2 369.513 2.933 10 0 FFAELP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@H]2CCCN(c3cccnn3)C2)C1 ZINC000246241931 510384737 /nfs/dbraw/zinc/38/47/37/510384737.db2.gz OCKYLCMAMQYMNA-HOJAQTOUSA-N 2 2 351.498 2.871 10 0 FFAELP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@H]2CCCN(c3cccnn3)C2)C1 ZINC000246241931 510384740 /nfs/dbraw/zinc/38/47/40/510384740.db2.gz OCKYLCMAMQYMNA-HOJAQTOUSA-N 2 2 351.498 2.871 10 0 FFAELP CCOC(=O)N1CCC([C@H](C)[NH2+]C2CC[NH+](Cc3cccnc3)CC2)CC1 ZINC000187690406 510388903 /nfs/dbraw/zinc/38/89/03/510388903.db2.gz YFNIDOKIQZSSNG-KRWDZBQOSA-N 2 2 374.529 2.893 10 0 FFAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H]2CCc3ccc(OC)cc32)nc[nH+]1 ZINC000246277441 510401816 /nfs/dbraw/zinc/40/18/16/510401816.db2.gz BEJQURSIMMVVBD-YJBOKZPZSA-N 2 2 353.470 2.773 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@@H](O)COCc2cccc(OC)c2)C1 ZINC000246328492 510429149 /nfs/dbraw/zinc/42/91/49/510429149.db2.gz KZEOMHDFZXROPM-RTBURBONSA-N 2 2 373.497 2.669 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@@H](O)COCc2cccc(OC)c2)C1 ZINC000246328492 510429156 /nfs/dbraw/zinc/42/91/56/510429156.db2.gz KZEOMHDFZXROPM-RTBURBONSA-N 2 2 373.497 2.669 10 0 FFAELP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000175050817 510460091 /nfs/dbraw/zinc/46/00/91/510460091.db2.gz WJOZGAPPMGFYLJ-OXQOHEQNSA-N 2 2 370.497 2.843 10 0 FFAELP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1nnc(C2CC2)n1C ZINC000184744309 510495264 /nfs/dbraw/zinc/49/52/64/510495264.db2.gz UVIFYXPJNASKDF-HOTGVXAUSA-N 2 2 353.514 2.939 10 0 FFAELP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2cn3cc(Cl)ccc3n2)nc[nH+]1 ZINC000172119852 510553638 /nfs/dbraw/zinc/55/36/38/510553638.db2.gz WPBFLDOSNKESMC-OAHLLOKOSA-N 2 2 371.876 2.578 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)NCCc2cccs2)C1 ZINC000246707997 510626326 /nfs/dbraw/zinc/62/63/26/510626326.db2.gz KZGWADADVCFTQW-CVEARBPZSA-N 2 2 360.527 2.891 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)NCCc2cccs2)C1 ZINC000246707997 510626333 /nfs/dbraw/zinc/62/63/33/510626333.db2.gz KZGWADADVCFTQW-CVEARBPZSA-N 2 2 360.527 2.891 10 0 FFAELP COc1cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)ccc1O ZINC000195004002 510627209 /nfs/dbraw/zinc/62/72/09/510627209.db2.gz VSHAZXZXBPVSQU-IBGZPJMESA-N 2 2 356.466 2.782 10 0 FFAELP COc1cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)ccc1O ZINC000195004002 510627217 /nfs/dbraw/zinc/62/72/17/510627217.db2.gz VSHAZXZXBPVSQU-IBGZPJMESA-N 2 2 356.466 2.782 10 0 FFAELP Cc1ccc(C(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)cc1Oc1cc[nH+]cc1 ZINC000246778215 510669674 /nfs/dbraw/zinc/66/96/74/510669674.db2.gz PVMDRDUPPKOEAB-IRXDYDNUSA-N 2 2 369.465 2.709 10 0 FFAELP Cc1ccc(C(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)cc1Oc1cc[nH+]cc1 ZINC000246778215 510669683 /nfs/dbraw/zinc/66/96/83/510669683.db2.gz PVMDRDUPPKOEAB-IRXDYDNUSA-N 2 2 369.465 2.709 10 0 FFAELP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)C1 ZINC000246818626 510691524 /nfs/dbraw/zinc/69/15/24/510691524.db2.gz DKRMFSACNIQPSR-OLMNPRSZSA-N 2 2 373.476 2.677 10 0 FFAELP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)C1 ZINC000246818626 510691528 /nfs/dbraw/zinc/69/15/28/510691528.db2.gz DKRMFSACNIQPSR-OLMNPRSZSA-N 2 2 373.476 2.677 10 0 FFAELP Cc1cccc(OC[C@@H](O)C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)c1 ZINC000195286193 510762396 /nfs/dbraw/zinc/76/23/96/510762396.db2.gz CSVHOTHZWUUFRG-RTWAWAEBSA-N 2 2 369.509 2.584 10 0 FFAELP Cc1cccc(OC[C@@H](O)C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)c1 ZINC000195286193 510762399 /nfs/dbraw/zinc/76/23/99/510762399.db2.gz CSVHOTHZWUUFRG-RTWAWAEBSA-N 2 2 369.509 2.584 10 0 FFAELP Cc1cccc(OC[C@@H](O)C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000195286193 510762402 /nfs/dbraw/zinc/76/24/02/510762402.db2.gz CSVHOTHZWUUFRG-RTWAWAEBSA-N 2 2 369.509 2.584 10 0 FFAELP Cc1cccc(OC[C@@H](O)C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000195286193 510762406 /nfs/dbraw/zinc/76/24/06/510762406.db2.gz CSVHOTHZWUUFRG-RTWAWAEBSA-N 2 2 369.509 2.584 10 0 FFAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000247095172 510833631 /nfs/dbraw/zinc/83/36/31/510833631.db2.gz JQUGAZWKYLAGQX-QAPCUYQASA-N 2 2 357.502 2.763 10 0 FFAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000247095172 510833635 /nfs/dbraw/zinc/83/36/35/510833635.db2.gz JQUGAZWKYLAGQX-QAPCUYQASA-N 2 2 357.502 2.763 10 0 FFAELP C[N@@H+]1CCC[C@H]2C[NH+](Cc3c[nH]nc3-c3ccc4c(c3)OCCO4)CC[C@H]21 ZINC000247258053 510854401 /nfs/dbraw/zinc/85/44/01/510854401.db2.gz XMWFFIIIJFUJRA-FUHWJXTLSA-N 2 2 368.481 2.764 10 0 FFAELP C[N@H+]1CCC[C@H]2C[NH+](Cc3c[nH]nc3-c3ccc4c(c3)OCCO4)CC[C@H]21 ZINC000247258053 510854402 /nfs/dbraw/zinc/85/44/02/510854402.db2.gz XMWFFIIIJFUJRA-FUHWJXTLSA-N 2 2 368.481 2.764 10 0 FFAELP C[NH+]1CCC[C@H]2C[N@H+](Cc3c[nH]nc3-c3ccc4c(c3)OCCO4)CC[C@H]21 ZINC000247258053 510854403 /nfs/dbraw/zinc/85/44/03/510854403.db2.gz XMWFFIIIJFUJRA-FUHWJXTLSA-N 2 2 368.481 2.764 10 0 FFAELP C[NH+]1CCC[C@H]2C[N@@H+](Cc3c[nH]nc3-c3ccc4c(c3)OCCO4)CC[C@H]21 ZINC000247258053 510854404 /nfs/dbraw/zinc/85/44/04/510854404.db2.gz XMWFFIIIJFUJRA-FUHWJXTLSA-N 2 2 368.481 2.764 10 0 FFAELP CC[N@@H+]1CCC[C@@H](C[NH+](C)C[C@@H](O)c2ccccc2F)[C@@H]1c1cnn(C)c1 ZINC000328651946 511907758 /nfs/dbraw/zinc/90/77/58/511907758.db2.gz WEYWRIVAODNEDI-ZLGUVYLKSA-N 2 2 374.504 2.998 10 0 FFAELP CC[N@H+]1CCC[C@@H](C[NH+](C)C[C@@H](O)c2ccccc2F)[C@@H]1c1cnn(C)c1 ZINC000328651946 511907761 /nfs/dbraw/zinc/90/77/61/511907761.db2.gz WEYWRIVAODNEDI-ZLGUVYLKSA-N 2 2 374.504 2.998 10 0 FFAELP CC[NH+]1CCC[C@@H](C[N@H+](C)C[C@@H](O)c2ccccc2F)[C@@H]1c1cnn(C)c1 ZINC000328651946 511907765 /nfs/dbraw/zinc/90/77/65/511907765.db2.gz WEYWRIVAODNEDI-ZLGUVYLKSA-N 2 2 374.504 2.998 10 0 FFAELP C[C@@]1(C[NH2+]C[C@@H](O)COCc2ccco2)CCC[N@@H+]1Cc1ccccc1 ZINC000397891055 512950086 /nfs/dbraw/zinc/95/00/86/512950086.db2.gz GGRUTHRVLCAOOE-CTNGQTDRSA-N 2 2 358.482 2.801 10 0 FFAELP C[C@@]1(C[NH2+]C[C@@H](O)COCc2ccco2)CCC[N@H+]1Cc1ccccc1 ZINC000397891055 512950092 /nfs/dbraw/zinc/95/00/92/512950092.db2.gz GGRUTHRVLCAOOE-CTNGQTDRSA-N 2 2 358.482 2.801 10 0 FFAELP CC(C)[C@@H]1OCCC[C@H]1Nc1nc(NC[C@@H]2CCCn3cc[nH+]c32)cc[nH+]1 ZINC000330149164 990816727 /nfs/dbraw/zinc/81/67/27/990816727.db2.gz VAGPANOATMRWOD-JZXOWHBKSA-N 2 2 370.501 3.278 10 0 FFAELP Cc1cccc(C)c1-n1nnnc1C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000103473546 250154824 /nfs/dbraw/zinc/15/48/24/250154824.db2.gz KWMPHBHCOSUNOP-KRWDZBQOSA-N 2 2 363.469 2.608 10 0 FFAELP Cc1cccc(C)c1-n1nnnc1C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000103473546 250154828 /nfs/dbraw/zinc/15/48/28/250154828.db2.gz KWMPHBHCOSUNOP-KRWDZBQOSA-N 2 2 363.469 2.608 10 0 FFAELP CC[NH+](CC)[C@@H](C(=O)NCc1cccnc1-n1cc[nH+]c1)c1ccccc1 ZINC000104839449 250187606 /nfs/dbraw/zinc/18/76/06/250187606.db2.gz JWTOTLVSGGAWAZ-LJQANCHMSA-N 2 2 363.465 2.967 10 0 FFAELP C[C@@H](C(=O)Nc1cccnc1Cl)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000106164769 250245744 /nfs/dbraw/zinc/24/57/44/250245744.db2.gz CTLUXFWBBVPZIW-ZDUSSCGKSA-N 2 2 361.877 2.750 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCCN2C(=O)c3ccccc3C2=O)C1 ZINC000106216092 250255057 /nfs/dbraw/zinc/25/50/57/250255057.db2.gz GPQQOTSFWVQTIE-MRXNPFEDSA-N 2 2 366.465 2.769 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCCN2C(=O)c3ccccc3C2=O)C1 ZINC000106216092 250255061 /nfs/dbraw/zinc/25/50/61/250255061.db2.gz GPQQOTSFWVQTIE-MRXNPFEDSA-N 2 2 366.465 2.769 10 0 FFAELP CCOC(=O)c1c[nH+]c2ccc(OC)cc2c1N1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000301685049 258063115 /nfs/dbraw/zinc/06/31/15/258063115.db2.gz UGJVNHWVYKJRJO-UGSOOPFHSA-N 2 2 357.454 2.806 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC000329006699 258126486 /nfs/dbraw/zinc/12/64/86/258126486.db2.gz XWXCMJMJMGSLGT-KZNAEPCWSA-N 2 2 367.497 2.777 10 0 FFAELP C[C@H]1CN(C(=O)c2ccc(-c3cnco3)cc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000329100266 258129259 /nfs/dbraw/zinc/12/92/59/258129259.db2.gz MOIZJTKEKDLISL-INIZCTEOSA-N 2 2 368.481 2.582 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)C1 ZINC000332677809 258240017 /nfs/dbraw/zinc/24/00/17/258240017.db2.gz DUOUWIJIEHGFEZ-SJORKVTESA-N 2 2 370.501 2.875 10 0 FFAELP Cc1cn2c([nH+]1)[C@@H](CNC(=O)N1CCCC[C@@H]([NH+]3CCCC3)C1)CCC2 ZINC000332715924 258241114 /nfs/dbraw/zinc/24/11/14/258241114.db2.gz RLPOOKIQTQBOMH-QZTJIDSGSA-N 2 2 359.518 2.729 10 0 FFAELP CC[C@H](O)C[NH+]1CCN(c2nc(C)[nH+]c(C)c2Cc2ccc(F)cc2)CC1 ZINC000036340336 506401552 /nfs/dbraw/zinc/40/15/52/506401552.db2.gz VFRZHTRCRDDPIE-IBGZPJMESA-N 2 2 372.488 2.716 10 0 FFAELP O=C(/C=C/c1ccc(-n2cc[nH+]c2)cc1)N1CCC([NH+]2CCCC2)CC1 ZINC000058909887 507480140 /nfs/dbraw/zinc/48/01/40/507480140.db2.gz PAJQILRCYANXPQ-VMPITWQZSA-N 2 2 350.466 2.972 10 0 FFAELP O=C(C[N@@H+]1CCO[C@H]2CCCC[C@@H]21)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000079886646 508011309 /nfs/dbraw/zinc/01/13/09/508011309.db2.gz PWPWFKDHAPTTIN-SFTDATJTSA-N 2 2 371.525 2.542 10 0 FFAELP O=C(C[N@H+]1CCO[C@H]2CCCC[C@@H]21)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000079886646 508011312 /nfs/dbraw/zinc/01/13/12/508011312.db2.gz PWPWFKDHAPTTIN-SFTDATJTSA-N 2 2 371.525 2.542 10 0 FFAELP O=C(NCC1([NH+]2CCSCC2)CCCCC1)[C@@H]1CCCn2cc[nH+]c21 ZINC000081721677 508206283 /nfs/dbraw/zinc/20/62/83/508206283.db2.gz LREMNXJFBPKMCE-MRXNPFEDSA-N 2 2 362.543 2.628 10 0 FFAELP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1)C2 ZINC000112746562 508219759 /nfs/dbraw/zinc/21/97/59/508219759.db2.gz WEPKOZVVGIOLOC-MRXNPFEDSA-N 2 2 361.534 2.732 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NCCc2cccs2)C1 ZINC000114720536 508342110 /nfs/dbraw/zinc/34/21/10/508342110.db2.gz KZGWADADVCFTQW-JKSUJKDBSA-N 2 2 360.527 2.891 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NCCc2cccs2)C1 ZINC000114720536 508342113 /nfs/dbraw/zinc/34/21/13/508342113.db2.gz KZGWADADVCFTQW-JKSUJKDBSA-N 2 2 360.527 2.891 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)C1 ZINC000106212714 508398011 /nfs/dbraw/zinc/39/80/11/508398011.db2.gz IPTYREJFAJVAJZ-LSDHHAIUSA-N 2 2 372.435 2.883 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)C1 ZINC000106212714 508398012 /nfs/dbraw/zinc/39/80/12/508398012.db2.gz IPTYREJFAJVAJZ-LSDHHAIUSA-N 2 2 372.435 2.883 10 0 FFAELP CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000115796835 508439306 /nfs/dbraw/zinc/43/93/06/508439306.db2.gz FFUHZNQGLAJDOM-XJKSGUPXSA-N 2 2 356.461 2.597 10 0 FFAELP C[C@H](NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)c1cccs1 ZINC000179104832 509266654 /nfs/dbraw/zinc/26/66/54/509266654.db2.gz YZNRNIDVYRCZCF-PMRDEQMMSA-N 2 2 362.543 2.762 10 0 FFAELP C[C@H](NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)c1cccs1 ZINC000179104832 509266659 /nfs/dbraw/zinc/26/66/59/509266659.db2.gz YZNRNIDVYRCZCF-PMRDEQMMSA-N 2 2 362.543 2.762 10 0 FFAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+]([C@H]3CCc4ccc(F)cc43)CC2)C1 ZINC000248358376 509276264 /nfs/dbraw/zinc/27/62/64/509276264.db2.gz QSFSQIQCPMJELO-FPOVZHCZSA-N 2 2 361.505 2.540 10 0 FFAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+]([C@H]3CCc4ccc(F)cc43)CC2)C1 ZINC000248358376 509276272 /nfs/dbraw/zinc/27/62/72/509276272.db2.gz QSFSQIQCPMJELO-FPOVZHCZSA-N 2 2 361.505 2.540 10 0 FFAELP C[NH+]1CCN([C@H]2CCCC[N@H+](CCOc3ccc(F)cc3Cl)C2)CC1 ZINC000182907994 509488752 /nfs/dbraw/zinc/48/87/52/509488752.db2.gz QQUSPCHZPLSMIC-KRWDZBQOSA-N 2 2 369.912 2.960 10 0 FFAELP C[NH+]1CCN([C@H]2CCCC[N@@H+](CCOc3ccc(F)cc3Cl)C2)CC1 ZINC000182907994 509488759 /nfs/dbraw/zinc/48/87/59/509488759.db2.gz QQUSPCHZPLSMIC-KRWDZBQOSA-N 2 2 369.912 2.960 10 0 FFAELP CCO[C@H]1C[C@H]([NH2+]CC2([NH+]3CCSCC3)CCCC2)C12CCOCC2 ZINC000186242113 509596588 /nfs/dbraw/zinc/59/65/88/509596588.db2.gz PCWHAJWZZNXSHQ-ROUUACIJSA-N 2 2 368.587 2.912 10 0 FFAELP CCN(C(=O)[C@@H](C)[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000245519000 509981644 /nfs/dbraw/zinc/98/16/44/509981644.db2.gz IEURDGLORZFRLA-TZIWHRDSSA-N 2 2 372.557 2.530 10 0 FFAELP CCN(C(=O)[C@@H](C)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000245519000 509981649 /nfs/dbraw/zinc/98/16/49/509981649.db2.gz IEURDGLORZFRLA-TZIWHRDSSA-N 2 2 372.557 2.530 10 0 FFAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)nc[nH+]1 ZINC000180572206 509991837 /nfs/dbraw/zinc/99/18/37/509991837.db2.gz ZHASTIBBQXHBMG-GOEBONIOSA-N 2 2 369.469 2.609 10 0 FFAELP C[N@@H+]1CC[C@@H](NC(=O)NCCc2cn3ccccc3[nH+]2)[C@H]1c1ccccc1 ZINC000245622760 510044930 /nfs/dbraw/zinc/04/49/30/510044930.db2.gz FPVCCHKDKONEGP-UYAOXDASSA-N 2 2 363.465 2.621 10 0 FFAELP CN(C)c1ccc(NC(=O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171642418 510268848 /nfs/dbraw/zinc/26/88/48/510268848.db2.gz HZGGORFFTRQPJB-MRXNPFEDSA-N 2 2 353.470 2.520 10 0 FFAELP CN(C)c1ccc(NC(=O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171642418 510268854 /nfs/dbraw/zinc/26/88/54/510268854.db2.gz HZGGORFFTRQPJB-MRXNPFEDSA-N 2 2 353.470 2.520 10 0 FFAELP O=C(C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)NCC1(c2ccccc2)CC1 ZINC000171643286 510273337 /nfs/dbraw/zinc/27/33/37/510273337.db2.gz LKUDOVAUWHJUTO-GOSISDBHSA-N 2 2 364.493 2.663 10 0 FFAELP O=C(C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)NCC1(c2ccccc2)CC1 ZINC000171643286 510273348 /nfs/dbraw/zinc/27/33/48/510273348.db2.gz LKUDOVAUWHJUTO-GOSISDBHSA-N 2 2 364.493 2.663 10 0 FFAELP C[C@@H](NC(=O)NC1CC[NH+](C2CC2)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000174790052 510313329 /nfs/dbraw/zinc/31/33/29/510313329.db2.gz AIRFUWPTMKVXQX-OAHLLOKOSA-N 2 2 353.470 2.859 10 0 FFAELP C[NH+]1CCN([C@@H]2CCCC[N@H+](CCOc3ccccc3Cl)C2)CC1 ZINC000174891922 510370903 /nfs/dbraw/zinc/37/09/03/510370903.db2.gz ATOUSXDLGUBQGO-QGZVFWFLSA-N 2 2 351.922 2.821 10 0 FFAELP C[NH+]1CCN([C@@H]2CCCC[N@@H+](CCOc3ccccc3Cl)C2)CC1 ZINC000174891922 510370907 /nfs/dbraw/zinc/37/09/07/510370907.db2.gz ATOUSXDLGUBQGO-QGZVFWFLSA-N 2 2 351.922 2.821 10 0 FFAELP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCN(c3cccnn3)C2)C1 ZINC000246241944 510384594 /nfs/dbraw/zinc/38/45/94/510384594.db2.gz OCKYLCMAMQYMNA-YZGWKJHDSA-N 2 2 351.498 2.871 10 0 FFAELP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@H]2CCCN(c3cccnn3)C2)C1 ZINC000246241944 510384598 /nfs/dbraw/zinc/38/45/98/510384598.db2.gz OCKYLCMAMQYMNA-YZGWKJHDSA-N 2 2 351.498 2.871 10 0 FFAELP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000172029732 510507389 /nfs/dbraw/zinc/50/73/89/510507389.db2.gz WGDUWMBNXUYTOZ-DLBZAZTESA-N 2 2 354.454 2.549 10 0 FFAELP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCC[C@@H]1c1ccco1 ZINC000172029732 510507392 /nfs/dbraw/zinc/50/73/92/510507392.db2.gz WGDUWMBNXUYTOZ-DLBZAZTESA-N 2 2 354.454 2.549 10 0 FFAELP C[NH+](C)[C@@H](CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)c1ccccc1Cl ZINC000246484532 510514048 /nfs/dbraw/zinc/51/40/48/510514048.db2.gz RWUQDVSPZIIHGE-YJBOKZPZSA-N 2 2 364.921 2.822 10 0 FFAELP C[NH+](C)[C@@H](CNC(=O)N1CC[N@H+]2CCCC[C@H]2C1)c1ccccc1Cl ZINC000246484532 510514055 /nfs/dbraw/zinc/51/40/55/510514055.db2.gz RWUQDVSPZIIHGE-YJBOKZPZSA-N 2 2 364.921 2.822 10 0 FFAELP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000246537658 510543119 /nfs/dbraw/zinc/54/31/19/510543119.db2.gz SNYULUMOZJSPFA-CEXWTWQISA-N 2 2 352.906 2.776 10 0 FFAELP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000246537658 510543123 /nfs/dbraw/zinc/54/31/23/510543123.db2.gz SNYULUMOZJSPFA-CEXWTWQISA-N 2 2 352.906 2.776 10 0 FFAELP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000246537658 510543135 /nfs/dbraw/zinc/54/31/35/510543135.db2.gz SNYULUMOZJSPFA-CEXWTWQISA-N 2 2 352.906 2.776 10 0 FFAELP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000246537658 510543139 /nfs/dbraw/zinc/54/31/39/510543139.db2.gz SNYULUMOZJSPFA-CEXWTWQISA-N 2 2 352.906 2.776 10 0 FFAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](CCOCC(F)(F)F)C1 ZINC000195252780 510738888 /nfs/dbraw/zinc/73/88/88/510738888.db2.gz QLJKJCVQWIQUGE-ZDUSSCGKSA-N 2 2 351.438 2.784 10 0 FFAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](CCOCC(F)(F)F)C1 ZINC000195252780 510738894 /nfs/dbraw/zinc/73/88/94/510738894.db2.gz QLJKJCVQWIQUGE-ZDUSSCGKSA-N 2 2 351.438 2.784 10 0 FFAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](CCOCC(F)(F)F)C1 ZINC000195252780 510738900 /nfs/dbraw/zinc/73/89/00/510738900.db2.gz QLJKJCVQWIQUGE-ZDUSSCGKSA-N 2 2 351.438 2.784 10 0 FFAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](CCOCC(F)(F)F)C1 ZINC000195252780 510738906 /nfs/dbraw/zinc/73/89/06/510738906.db2.gz QLJKJCVQWIQUGE-ZDUSSCGKSA-N 2 2 351.438 2.784 10 0 FFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1nc2ccccc2s1 ZINC000178745478 510749436 /nfs/dbraw/zinc/74/94/36/510749436.db2.gz VVLGENQATHOSAO-AWEZNQCLSA-N 2 2 355.467 2.904 10 0 FFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)Nc1nc2ccccc2s1 ZINC000178745478 510749443 /nfs/dbraw/zinc/74/94/43/510749443.db2.gz VVLGENQATHOSAO-AWEZNQCLSA-N 2 2 355.467 2.904 10 0 FFAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC(=O)NCCC2=CCCCC2)C1 ZINC000195282099 510758811 /nfs/dbraw/zinc/75/88/11/510758811.db2.gz NTABENOWNNQQJW-NRFANRHFSA-N 2 2 370.541 2.842 10 0 FFAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC(=O)NCCC2=CCCCC2)C1 ZINC000195282099 510758816 /nfs/dbraw/zinc/75/88/16/510758816.db2.gz NTABENOWNNQQJW-NRFANRHFSA-N 2 2 370.541 2.842 10 0 FFAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CC(=O)NCCC2=CCCCC2)C1 ZINC000195282099 510758819 /nfs/dbraw/zinc/75/88/19/510758819.db2.gz NTABENOWNNQQJW-NRFANRHFSA-N 2 2 370.541 2.842 10 0 FFAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CC(=O)NCCC2=CCCCC2)C1 ZINC000195282099 510758826 /nfs/dbraw/zinc/75/88/26/510758826.db2.gz NTABENOWNNQQJW-NRFANRHFSA-N 2 2 370.541 2.842 10 0 FFAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2ccc(NC(C)=O)cc2)nc[nH+]1 ZINC000182131095 510771938 /nfs/dbraw/zinc/77/19/38/510771938.db2.gz NKKSMKMVKAFMAC-KBXCAEBGSA-N 2 2 368.485 2.796 10 0 FFAELP COc1cc(NC(=O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc(OC)c1 ZINC000246964861 510773448 /nfs/dbraw/zinc/77/34/48/510773448.db2.gz VDIHZCQYKFMGIA-YWZLYKJASA-N 2 2 373.497 2.591 10 0 FFAELP COc1cc(NC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc(OC)c1 ZINC000246964861 510773453 /nfs/dbraw/zinc/77/34/53/510773453.db2.gz VDIHZCQYKFMGIA-YWZLYKJASA-N 2 2 373.497 2.591 10 0 FFAELP COc1cc(NC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc(OC)c1 ZINC000246964861 510773458 /nfs/dbraw/zinc/77/34/58/510773458.db2.gz VDIHZCQYKFMGIA-YWZLYKJASA-N 2 2 373.497 2.591 10 0 FFAELP C[N@@H+]1CCC[C@@H]2CN(C(=O)NCc3cc[nH+]c(N4CCCCC4)c3)CC[C@H]21 ZINC000247280216 510855252 /nfs/dbraw/zinc/85/52/52/510855252.db2.gz STIPFCBULAALAR-RTBURBONSA-N 2 2 371.529 2.698 10 0 FFAELP C[N@H+]1CCC[C@@H]2CN(C(=O)NCc3cc[nH+]c(N4CCCCC4)c3)CC[C@H]21 ZINC000247280216 510855253 /nfs/dbraw/zinc/85/52/53/510855253.db2.gz STIPFCBULAALAR-RTBURBONSA-N 2 2 371.529 2.698 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NCCc2ccc(F)cc2)C1 ZINC000247555990 510865574 /nfs/dbraw/zinc/86/55/74/510865574.db2.gz FOBNPPJJUHVSJW-VQIMIIECSA-N 2 2 372.488 2.969 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)NCCc2ccc(F)cc2)C1 ZINC000247555990 510865575 /nfs/dbraw/zinc/86/55/75/510865575.db2.gz FOBNPPJJUHVSJW-VQIMIIECSA-N 2 2 372.488 2.969 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)N[C@H]2CCOc3ccccc32)C1 ZINC000247773144 510869940 /nfs/dbraw/zinc/86/99/40/510869940.db2.gz PUMCCCAKHPHPOU-WMZOPIPTSA-N 2 2 368.481 2.722 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)N[C@H]2CCOc3ccccc32)C1 ZINC000247773144 510869941 /nfs/dbraw/zinc/86/99/41/510869941.db2.gz PUMCCCAKHPHPOU-WMZOPIPTSA-N 2 2 368.481 2.722 10 0 FFAELP C[C@@H]1CC[N@H+](Cc2nc(-c3ccc4c(c3)OCO4)no2)C[C@H]1n1cc[nH+]c1 ZINC000247798452 510870732 /nfs/dbraw/zinc/87/07/32/510870732.db2.gz ZXSJEOXTDHWDMH-UKRRQHHQSA-N 2 2 367.409 2.745 10 0 FFAELP C[C@@H]1CC[N@@H+](Cc2nc(-c3ccc4c(c3)OCO4)no2)C[C@H]1n1cc[nH+]c1 ZINC000247798452 510870733 /nfs/dbraw/zinc/87/07/33/510870733.db2.gz ZXSJEOXTDHWDMH-UKRRQHHQSA-N 2 2 367.409 2.745 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)NCc2ccccc2OC)C1 ZINC000247806949 510870787 /nfs/dbraw/zinc/87/07/87/510870787.db2.gz SYDFUEZTOAXSPT-AEFFLSMTSA-N 2 2 370.497 2.796 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)NCc2ccccc2OC)C1 ZINC000247806949 510870788 /nfs/dbraw/zinc/87/07/88/510870788.db2.gz SYDFUEZTOAXSPT-AEFFLSMTSA-N 2 2 370.497 2.796 10 0 FFAELP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H](C)c2cccc(Br)c2)CC1 ZINC000182572791 729281962 /nfs/dbraw/zinc/28/19/62/729281962.db2.gz RRJSIZKIRNTKBS-KGLIPLIRSA-N 2 2 368.319 2.652 10 0 FFAELP Cn1cc[nH+]c1CC1CC[NH+]([C@@H](C(=O)NC2CC2)c2ccc(F)cc2)CC1 ZINC000106162901 250247338 /nfs/dbraw/zinc/24/73/38/250247338.db2.gz LYCNKVZQWAHFDH-HXUWFJFHSA-N 2 2 370.472 2.834 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)Nc2ccc(C(=O)OC)cc2)C1 ZINC000106216424 250256397 /nfs/dbraw/zinc/25/63/97/250256397.db2.gz UCVYAAAYXHIDEL-KRWDZBQOSA-N 2 2 370.453 2.508 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C(=O)OC)cc2)C1 ZINC000106216424 250256404 /nfs/dbraw/zinc/25/64/04/250256404.db2.gz UCVYAAAYXHIDEL-KRWDZBQOSA-N 2 2 370.453 2.508 10 0 FFAELP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@@H]3CCCC[NH2+]C3)n2)C1 ZINC000333088944 258249078 /nfs/dbraw/zinc/24/90/78/258249078.db2.gz CCBGWGKESGUQNM-ZIAGYGMSSA-N 2 2 351.520 2.639 10 0 FFAELP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@@H]3CCCC[NH2+]C3)n2)C1 ZINC000333088944 258249079 /nfs/dbraw/zinc/24/90/79/258249079.db2.gz CCBGWGKESGUQNM-ZIAGYGMSSA-N 2 2 351.520 2.639 10 0 FFAELP Cc1ccc2c(C[NH+]3CCC([N@H+]4CCO[C@H](C)C4)CC3)cc(=O)oc2c1 ZINC000066561640 506554324 /nfs/dbraw/zinc/55/43/24/506554324.db2.gz ZHLLUPBEJRCAMT-MRXNPFEDSA-N 2 2 356.466 2.787 10 0 FFAELP Cc1ccc2c(C[NH+]3CCC([N@@H+]4CCO[C@H](C)C4)CC3)cc(=O)oc2c1 ZINC000066561640 506554330 /nfs/dbraw/zinc/55/43/30/506554330.db2.gz ZHLLUPBEJRCAMT-MRXNPFEDSA-N 2 2 356.466 2.787 10 0 FFAELP Cc1ccc2c(C[NH+]3CCC([N@H+]4CCO[C@@H](C)C4)CC3)cc(=O)oc2c1 ZINC000066561642 506555248 /nfs/dbraw/zinc/55/52/48/506555248.db2.gz ZHLLUPBEJRCAMT-INIZCTEOSA-N 2 2 356.466 2.787 10 0 FFAELP Cc1ccc2c(C[NH+]3CCC([N@@H+]4CCO[C@@H](C)C4)CC3)cc(=O)oc2c1 ZINC000066561642 506555250 /nfs/dbraw/zinc/55/52/50/506555250.db2.gz ZHLLUPBEJRCAMT-INIZCTEOSA-N 2 2 356.466 2.787 10 0 FFAELP C[C@H]1C[N@@H+](C2CC[NH+](Cc3ccc(Oc4cnccn4)cc3)CC2)CCO1 ZINC000092079814 508041289 /nfs/dbraw/zinc/04/12/89/508041289.db2.gz JEFOEHXKUNWTET-KRWDZBQOSA-N 2 2 368.481 2.954 10 0 FFAELP C[C@H]1C[N@H+](C2CC[NH+](Cc3ccc(Oc4cnccn4)cc3)CC2)CCO1 ZINC000092079814 508041293 /nfs/dbraw/zinc/04/12/93/508041293.db2.gz JEFOEHXKUNWTET-KRWDZBQOSA-N 2 2 368.481 2.954 10 0 FFAELP Cc1nc2n(n1)CCC[C@@H]2[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000092410886 508068974 /nfs/dbraw/zinc/06/89/74/508068974.db2.gz ADFKATZEXSRZCT-KRWDZBQOSA-N 2 2 374.920 2.616 10 0 FFAELP CC[N@H+](C)Cc1cccc(CNc2cc(N3CCC[C@@H]3CO)nc[nH+]2)c1 ZINC000112076233 508148783 /nfs/dbraw/zinc/14/87/83/508148783.db2.gz KLDGOWCEDICZPD-GOSISDBHSA-N 2 2 355.486 2.502 10 0 FFAELP CC[N@@H+](C)Cc1cccc(CNc2cc(N3CCC[C@@H]3CO)nc[nH+]2)c1 ZINC000112076233 508148785 /nfs/dbraw/zinc/14/87/85/508148785.db2.gz KLDGOWCEDICZPD-GOSISDBHSA-N 2 2 355.486 2.502 10 0 FFAELP CC[N@H+](C)Cc1cccc(CNc2cc(N3CCC[C@@H]3CO)[nH+]cn2)c1 ZINC000112076233 508148788 /nfs/dbraw/zinc/14/87/88/508148788.db2.gz KLDGOWCEDICZPD-GOSISDBHSA-N 2 2 355.486 2.502 10 0 FFAELP CC[N@@H+](C)Cc1cccc(CNc2cc(N3CCC[C@@H]3CO)[nH+]cn2)c1 ZINC000112076233 508148791 /nfs/dbraw/zinc/14/87/91/508148791.db2.gz KLDGOWCEDICZPD-GOSISDBHSA-N 2 2 355.486 2.502 10 0 FFAELP O=C(CC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)Nc1ccc2c(c1)OCO2 ZINC000101587038 508249695 /nfs/dbraw/zinc/24/96/95/508249695.db2.gz HJIUFAMUHQTQRQ-OAHLLOKOSA-N 2 2 368.437 2.573 10 0 FFAELP O=C(CC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)Nc1ccc2c(c1)OCO2 ZINC000101587038 508249698 /nfs/dbraw/zinc/24/96/98/508249698.db2.gz HJIUFAMUHQTQRQ-OAHLLOKOSA-N 2 2 368.437 2.573 10 0 FFAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105085171 508360116 /nfs/dbraw/zinc/36/01/16/508360116.db2.gz JMEQDYOHVUKEMP-KRWDZBQOSA-N 2 2 355.486 2.615 10 0 FFAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000105085171 508360118 /nfs/dbraw/zinc/36/01/18/508360118.db2.gz JMEQDYOHVUKEMP-KRWDZBQOSA-N 2 2 355.486 2.615 10 0 FFAELP C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000106424046 508400606 /nfs/dbraw/zinc/40/06/06/508400606.db2.gz SYUNCUNFKJVDPM-OAQYLSRUSA-N 2 2 351.494 2.504 10 0 FFAELP COc1ccc([C@H]2CCCN2C(=O)C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000152493696 508457941 /nfs/dbraw/zinc/45/79/41/508457941.db2.gz YNYNUIHJMSMEOW-FXAWDEMLSA-N 2 2 359.514 2.632 10 0 FFAELP COc1ccc([C@H]2CCCN2C(=O)C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000152493696 508457945 /nfs/dbraw/zinc/45/79/45/508457945.db2.gz YNYNUIHJMSMEOW-FXAWDEMLSA-N 2 2 359.514 2.632 10 0 FFAELP COc1ccc([C@H]2CCCN2C(=O)C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000152493696 508457948 /nfs/dbraw/zinc/45/79/48/508457948.db2.gz YNYNUIHJMSMEOW-FXAWDEMLSA-N 2 2 359.514 2.632 10 0 FFAELP COc1ccc([C@H]2CCCN2C(=O)C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000152493696 508457952 /nfs/dbraw/zinc/45/79/52/508457952.db2.gz YNYNUIHJMSMEOW-FXAWDEMLSA-N 2 2 359.514 2.632 10 0 FFAELP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC=C(c3ccccc3F)CC2)CC1 ZINC000127498281 508459451 /nfs/dbraw/zinc/45/94/51/508459451.db2.gz TWGGDGYKPLPHRA-UHFFFAOYSA-N 2 2 359.489 2.904 10 0 FFAELP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC=C(c3ccccc3F)CC2)CC1 ZINC000127498281 508459455 /nfs/dbraw/zinc/45/94/55/508459455.db2.gz TWGGDGYKPLPHRA-UHFFFAOYSA-N 2 2 359.489 2.904 10 0 FFAELP O=C(COc1ccccc1C[NH+]1CCC([NH+]2CCCC2)CC1)N1CCCC1 ZINC000127761310 508496354 /nfs/dbraw/zinc/49/63/54/508496354.db2.gz ZDIXKNIJTBVEEL-UHFFFAOYSA-N 2 2 371.525 2.748 10 0 FFAELP COc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)cc1Br ZINC000151245256 508986011 /nfs/dbraw/zinc/98/60/11/508986011.db2.gz BXQZEDWPBFAWSN-ZFWWWQNUSA-N 2 2 371.319 2.955 10 0 FFAELP CCOc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)cc1OCC ZINC000151341917 509002360 /nfs/dbraw/zinc/00/23/60/509002360.db2.gz XZPTVIOXYBVDJZ-SJLPKXTDSA-N 2 2 350.503 2.981 10 0 FFAELP COc1ccc([C@H](C)[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)c(F)c1 ZINC000151770431 509079866 /nfs/dbraw/zinc/07/98/66/509079866.db2.gz DJPADMWYTVZITJ-YJBOKZPZSA-N 2 2 358.457 2.904 10 0 FFAELP COc1ccc([C@H](C)[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)c(F)c1 ZINC000151770431 509079872 /nfs/dbraw/zinc/07/98/72/509079872.db2.gz DJPADMWYTVZITJ-YJBOKZPZSA-N 2 2 358.457 2.904 10 0 FFAELP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2cc(F)cc3cccnc32)nc[nH+]1 ZINC000133037437 509107155 /nfs/dbraw/zinc/10/71/55/509107155.db2.gz IPWKAENTWOWZLN-QGZVFWFLSA-N 2 2 366.444 2.964 10 0 FFAELP CCOc1cc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)ccc1OC ZINC000121209605 509150449 /nfs/dbraw/zinc/15/04/49/509150449.db2.gz RDLKLWJZRIMRPJ-UHFFFAOYSA-N 2 2 372.513 2.887 10 0 FFAELP CCOc1cc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)ccc1OC ZINC000121209605 509150452 /nfs/dbraw/zinc/15/04/52/509150452.db2.gz RDLKLWJZRIMRPJ-UHFFFAOYSA-N 2 2 372.513 2.887 10 0 FFAELP C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248637953 509406770 /nfs/dbraw/zinc/40/67/70/509406770.db2.gz AQHDSZIAUFSMPJ-QCFAMHMHSA-N 2 2 372.557 2.919 10 0 FFAELP C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248637953 509406772 /nfs/dbraw/zinc/40/67/72/509406772.db2.gz AQHDSZIAUFSMPJ-QCFAMHMHSA-N 2 2 372.557 2.919 10 0 FFAELP C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248637953 509406777 /nfs/dbraw/zinc/40/67/77/509406777.db2.gz AQHDSZIAUFSMPJ-QCFAMHMHSA-N 2 2 372.557 2.919 10 0 FFAELP CC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000248646470 509412587 /nfs/dbraw/zinc/41/25/87/509412587.db2.gz HNHPBFXTRPKVAA-IMJJTQAJSA-N 2 2 352.548 2.508 10 0 FFAELP CC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000248646470 509412590 /nfs/dbraw/zinc/41/25/90/509412590.db2.gz HNHPBFXTRPKVAA-IMJJTQAJSA-N 2 2 352.548 2.508 10 0 FFAELP CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000248646470 509412598 /nfs/dbraw/zinc/41/25/98/509412598.db2.gz HNHPBFXTRPKVAA-IMJJTQAJSA-N 2 2 352.548 2.508 10 0 FFAELP CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000248646470 509412607 /nfs/dbraw/zinc/41/26/07/509412607.db2.gz HNHPBFXTRPKVAA-IMJJTQAJSA-N 2 2 352.548 2.508 10 0 FFAELP CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000248645277 509413687 /nfs/dbraw/zinc/41/36/87/509413687.db2.gz GFCULKUKFAQUMO-HOTGVXAUSA-N 2 2 366.575 2.899 10 0 FFAELP CCC(C)(C)NC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000248645277 509413695 /nfs/dbraw/zinc/41/36/95/509413695.db2.gz GFCULKUKFAQUMO-HOTGVXAUSA-N 2 2 366.575 2.899 10 0 FFAELP CCC(C)(C)NC(=O)[C@H](C)[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000248645277 509413704 /nfs/dbraw/zinc/41/37/04/509413704.db2.gz GFCULKUKFAQUMO-HOTGVXAUSA-N 2 2 366.575 2.899 10 0 FFAELP CCC(C)(C)NC(=O)[C@H](C)[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000248645277 509413707 /nfs/dbraw/zinc/41/37/07/509413707.db2.gz GFCULKUKFAQUMO-HOTGVXAUSA-N 2 2 366.575 2.899 10 0 FFAELP C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248648226 509416617 /nfs/dbraw/zinc/41/66/17/509416617.db2.gz JMXFQJPWYMIYTC-HLAWJBBLSA-N 2 2 372.557 2.872 10 0 FFAELP C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248648226 509416619 /nfs/dbraw/zinc/41/66/19/509416619.db2.gz JMXFQJPWYMIYTC-HLAWJBBLSA-N 2 2 372.557 2.872 10 0 FFAELP C[C@@H]1CCCC[C@H]1N(C)C(=O)C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248648226 509416625 /nfs/dbraw/zinc/41/66/25/509416625.db2.gz JMXFQJPWYMIYTC-HLAWJBBLSA-N 2 2 372.557 2.872 10 0 FFAELP C[C@@H]1CCCC[C@H]1N(C)C(=O)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248648226 509416628 /nfs/dbraw/zinc/41/66/28/509416628.db2.gz JMXFQJPWYMIYTC-HLAWJBBLSA-N 2 2 372.557 2.872 10 0 FFAELP C[N@H+](CC(=O)OC(C)(C)C)[C@H]1CCCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000192269261 509435982 /nfs/dbraw/zinc/43/59/82/509435982.db2.gz DBBAQPQICUNVEY-INIZCTEOSA-N 2 2 360.502 2.986 10 0 FFAELP C[N@@H+](CC(=O)OC(C)(C)C)[C@H]1CCCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000192269261 509435984 /nfs/dbraw/zinc/43/59/84/509435984.db2.gz DBBAQPQICUNVEY-INIZCTEOSA-N 2 2 360.502 2.986 10 0 FFAELP COc1cccc2c1CC[C@@H]([NH2+]C[C@H](O)C[N@@H+]1CCc3ccccc3C1)C2 ZINC000192438975 509516536 /nfs/dbraw/zinc/51/65/36/509516536.db2.gz JPVYVPHTQHMYFK-RTWAWAEBSA-N 2 2 366.505 2.561 10 0 FFAELP COc1cccc2c1CC[C@@H]([NH2+]C[C@H](O)C[N@H+]1CCc3ccccc3C1)C2 ZINC000192438975 509516541 /nfs/dbraw/zinc/51/65/41/509516541.db2.gz JPVYVPHTQHMYFK-RTWAWAEBSA-N 2 2 366.505 2.561 10 0 FFAELP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCCN(c3cccc[nH+]3)CC2)C1 ZINC000186360877 509669027 /nfs/dbraw/zinc/66/90/27/509669027.db2.gz RFJIZQSPOOSDKC-LJQANCHMSA-N 2 2 373.545 2.815 10 0 FFAELP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCCN(c3cccc[nH+]3)CC2)C1 ZINC000186360877 509669035 /nfs/dbraw/zinc/66/90/35/509669035.db2.gz RFJIZQSPOOSDKC-LJQANCHMSA-N 2 2 373.545 2.815 10 0 FFAELP CCN(C(=O)[C@H](C)[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000245518995 509982422 /nfs/dbraw/zinc/98/24/22/509982422.db2.gz IEURDGLORZFRLA-PZJWPPBQSA-N 2 2 372.557 2.530 10 0 FFAELP CCN(C(=O)[C@H](C)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000245518995 509982428 /nfs/dbraw/zinc/98/24/28/509982428.db2.gz IEURDGLORZFRLA-PZJWPPBQSA-N 2 2 372.557 2.530 10 0 FFAELP C[C@@H](NC(=O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1)c1ccc(Cl)cc1Cl ZINC000193627017 509996483 /nfs/dbraw/zinc/99/64/83/509996483.db2.gz WZLUBSYJCQOLLP-UPJWGTAASA-N 2 2 356.297 2.664 10 0 FFAELP C[C@@H](NC(=O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1ccc(Cl)cc1Cl ZINC000193627017 509996469 /nfs/dbraw/zinc/99/64/69/509996469.db2.gz WZLUBSYJCQOLLP-UPJWGTAASA-N 2 2 356.297 2.664 10 0 FFAELP C[C@@H](NC(=O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1ccc(Cl)cc1Cl ZINC000193627017 509996476 /nfs/dbraw/zinc/99/64/76/509996476.db2.gz WZLUBSYJCQOLLP-UPJWGTAASA-N 2 2 356.297 2.664 10 0 FFAELP C[C@@H](NC(=O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1)c1ccc(Cl)cc1Cl ZINC000193627017 509996487 /nfs/dbraw/zinc/99/64/87/509996487.db2.gz WZLUBSYJCQOLLP-UPJWGTAASA-N 2 2 356.297 2.664 10 0 FFAELP C[C@H]1CCN(CC(=O)Nc2nnc(C(C)(C)C)s2)C[C@H]1n1cc[nH+]c1 ZINC000245567353 510012487 /nfs/dbraw/zinc/01/24/87/510012487.db2.gz FLIKFUANJLALCU-QWHCGFSZSA-N 2 2 362.503 2.554 10 0 FFAELP C[C@H]1CC[N@H+](CC(=O)Nc2nnc(C(C)(C)C)s2)C[C@H]1n1cc[nH+]c1 ZINC000245567353 510012495 /nfs/dbraw/zinc/01/24/95/510012495.db2.gz FLIKFUANJLALCU-QWHCGFSZSA-N 2 2 362.503 2.554 10 0 FFAELP C[C@H]1CC[N@@H+](CC(=O)Nc2nnc(C(C)(C)C)s2)C[C@H]1n1cc[nH+]c1 ZINC000245567353 510012501 /nfs/dbraw/zinc/01/25/01/510012501.db2.gz FLIKFUANJLALCU-QWHCGFSZSA-N 2 2 362.503 2.554 10 0 FFAELP C[C@@H]1CCN(CC(=O)Nc2nnc(C(C)(C)C)s2)C[C@H]1n1cc[nH+]c1 ZINC000245567352 510012736 /nfs/dbraw/zinc/01/27/36/510012736.db2.gz FLIKFUANJLALCU-CHWSQXEVSA-N 2 2 362.503 2.554 10 0 FFAELP C[C@@H]1CC[N@H+](CC(=O)Nc2nnc(C(C)(C)C)s2)C[C@H]1n1cc[nH+]c1 ZINC000245567352 510012744 /nfs/dbraw/zinc/01/27/44/510012744.db2.gz FLIKFUANJLALCU-CHWSQXEVSA-N 2 2 362.503 2.554 10 0 FFAELP C[C@@H]1CC[N@@H+](CC(=O)Nc2nnc(C(C)(C)C)s2)C[C@H]1n1cc[nH+]c1 ZINC000245567352 510012753 /nfs/dbraw/zinc/01/27/53/510012753.db2.gz FLIKFUANJLALCU-CHWSQXEVSA-N 2 2 362.503 2.554 10 0 FFAELP O=C(NCCC[N@@H+]1CCc2ccccc2C1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177397931 510036625 /nfs/dbraw/zinc/03/66/25/510036625.db2.gz LMCWPKRPIJRRAC-HXUWFJFHSA-N 2 2 367.497 2.506 10 0 FFAELP O=C(NCCC[N@H+]1CCc2ccccc2C1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177397931 510036629 /nfs/dbraw/zinc/03/66/29/510036629.db2.gz LMCWPKRPIJRRAC-HXUWFJFHSA-N 2 2 367.497 2.506 10 0 FFAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2nc(C(C)(C)C)no2)nc[nH+]1 ZINC000174285689 510038564 /nfs/dbraw/zinc/03/85/64/510038564.db2.gz UOTFOJZHVMXFKD-QWHCGFSZSA-N 2 2 359.478 2.518 10 0 FFAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2nc(C(C)(C)C)no2)nc[nH+]1 ZINC000174285676 510038805 /nfs/dbraw/zinc/03/88/05/510038805.db2.gz UOTFOJZHVMXFKD-OLZOCXBDSA-N 2 2 359.478 2.518 10 0 FFAELP O[C@H](C[NH2+][C@H]1CCc2ccc(Br)cc21)C[NH+]1CCCCC1 ZINC000193977687 510157667 /nfs/dbraw/zinc/15/76/67/510157667.db2.gz OTCGOCMGQXUFRH-WBVHZDCISA-N 2 2 353.304 2.873 10 0 FFAELP CC[C@@H](C)c1ccc(NC(=O)C[N@@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)cc1 ZINC000245918788 510204540 /nfs/dbraw/zinc/20/45/40/510204540.db2.gz LOHHBZIJIARQHP-WIYYLYMNSA-N 2 2 372.557 2.850 10 0 FFAELP CC[C@@H](C)c1ccc(NC(=O)C[N@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)cc1 ZINC000245918788 510204547 /nfs/dbraw/zinc/20/45/47/510204547.db2.gz LOHHBZIJIARQHP-WIYYLYMNSA-N 2 2 372.557 2.850 10 0 FFAELP COc1ccc(OC)c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000245955722 510226778 /nfs/dbraw/zinc/22/67/78/510226778.db2.gz QMIUHNUHFOJRKE-GDBMZVCRSA-N 2 2 372.469 2.700 10 0 FFAELP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCc1ccccc1C[NH+](C)C(C)C ZINC000184271175 510230936 /nfs/dbraw/zinc/23/09/36/510230936.db2.gz HJXFKLJGFFLQSP-HXUWFJFHSA-N 2 2 361.530 2.644 10 0 FFAELP CCCC[N@H+]1CCOC[C@@H]1C(=O)NCc1ccccc1C[NH+](C)C(C)C ZINC000184271175 510230940 /nfs/dbraw/zinc/23/09/40/510230940.db2.gz HJXFKLJGFFLQSP-HXUWFJFHSA-N 2 2 361.530 2.644 10 0 FFAELP CCCC[NH+]1CCOC[C@@H]1C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000184271175 510230945 /nfs/dbraw/zinc/23/09/45/510230945.db2.gz HJXFKLJGFFLQSP-HXUWFJFHSA-N 2 2 361.530 2.644 10 0 FFAELP CCCC[NH+]1CCOC[C@@H]1C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000184271175 510230954 /nfs/dbraw/zinc/23/09/54/510230954.db2.gz HJXFKLJGFFLQSP-HXUWFJFHSA-N 2 2 361.530 2.644 10 0 FFAELP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000246052344 510265130 /nfs/dbraw/zinc/26/51/30/510265130.db2.gz PXIPQKXABNLJFB-OALUTQOASA-N 2 2 372.513 2.609 10 0 FFAELP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000246052344 510265134 /nfs/dbraw/zinc/26/51/34/510265134.db2.gz PXIPQKXABNLJFB-OALUTQOASA-N 2 2 372.513 2.609 10 0 FFAELP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000246055888 510267590 /nfs/dbraw/zinc/26/75/90/510267590.db2.gz YRSXUFFVICCGOK-RBUKOAKNSA-N 2 2 371.529 2.698 10 0 FFAELP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000246055888 510267597 /nfs/dbraw/zinc/26/75/97/510267597.db2.gz YRSXUFFVICCGOK-RBUKOAKNSA-N 2 2 371.529 2.698 10 0 FFAELP CC(=O)c1ccccc1NC(=O)C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000171652743 510281742 /nfs/dbraw/zinc/28/17/42/510281742.db2.gz KVRXQQGBEKJHCL-QGZVFWFLSA-N 2 2 366.465 2.965 10 0 FFAELP CC(=O)c1ccccc1NC(=O)C[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000171652743 510281748 /nfs/dbraw/zinc/28/17/48/510281748.db2.gz KVRXQQGBEKJHCL-QGZVFWFLSA-N 2 2 366.465 2.965 10 0 FFAELP Cn1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(-c2cccnc2)n1 ZINC000246127005 510308197 /nfs/dbraw/zinc/30/81/97/510308197.db2.gz KQOQVFUYTFBJSC-FXAWDEMLSA-N 2 2 351.498 2.931 10 0 FFAELP Cn1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(-c2cccnc2)n1 ZINC000246127005 510308205 /nfs/dbraw/zinc/30/82/05/510308205.db2.gz KQOQVFUYTFBJSC-FXAWDEMLSA-N 2 2 351.498 2.931 10 0 FFAELP Cn1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(-c2cccnc2)n1 ZINC000246127005 510308212 /nfs/dbraw/zinc/30/82/12/510308212.db2.gz KQOQVFUYTFBJSC-FXAWDEMLSA-N 2 2 351.498 2.931 10 0 FFAELP Cn1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(-c2cccnc2)n1 ZINC000246127005 510308222 /nfs/dbraw/zinc/30/82/22/510308222.db2.gz KQOQVFUYTFBJSC-FXAWDEMLSA-N 2 2 351.498 2.931 10 0 FFAELP CCCC[N@@H+]1CCOC[C@H]1C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000184414495 510314434 /nfs/dbraw/zinc/31/44/34/510314434.db2.gz KFEADHKIWIKPMK-RXVVDRJESA-N 2 2 373.541 2.829 10 0 FFAELP CCCC[N@H+]1CCOC[C@H]1C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000184414495 510314438 /nfs/dbraw/zinc/31/44/38/510314438.db2.gz KFEADHKIWIKPMK-RXVVDRJESA-N 2 2 373.541 2.829 10 0 FFAELP C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246171845 510338095 /nfs/dbraw/zinc/33/80/95/510338095.db2.gz SIFORXVTZCDSGN-KGLIPLIRSA-N 2 2 359.861 2.891 10 0 FFAELP C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246171845 510338102 /nfs/dbraw/zinc/33/81/02/510338102.db2.gz SIFORXVTZCDSGN-KGLIPLIRSA-N 2 2 359.861 2.891 10 0 FFAELP Cc1ncc(C[NH+]2CCN(C(=O)Nc3cccc(C[NH+](C)C)c3)CC2)s1 ZINC000171808478 510381814 /nfs/dbraw/zinc/38/18/14/510381814.db2.gz RUOOEVZLHRBSHF-UHFFFAOYSA-N 2 2 373.526 2.863 10 0 FFAELP Cc1csc2nc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)cc(=O)n12 ZINC000246270487 510397674 /nfs/dbraw/zinc/39/76/74/510397674.db2.gz ABCRHDOIIZNXQP-WMLDXEAASA-N 2 2 358.511 2.513 10 0 FFAELP Cc1csc2nc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)cc(=O)n12 ZINC000246270487 510397681 /nfs/dbraw/zinc/39/76/81/510397681.db2.gz ABCRHDOIIZNXQP-WMLDXEAASA-N 2 2 358.511 2.513 10 0 FFAELP Cc1csc2nc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cc(=O)n12 ZINC000246270487 510397686 /nfs/dbraw/zinc/39/76/86/510397686.db2.gz ABCRHDOIIZNXQP-WMLDXEAASA-N 2 2 358.511 2.513 10 0 FFAELP Cc1csc2nc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)cc(=O)n12 ZINC000246270487 510397692 /nfs/dbraw/zinc/39/76/92/510397692.db2.gz ABCRHDOIIZNXQP-WMLDXEAASA-N 2 2 358.511 2.513 10 0 FFAELP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000175032094 510447967 /nfs/dbraw/zinc/44/79/67/510447967.db2.gz SPLVQRGFTSPDTQ-ZWKOTPCHSA-N 2 2 372.538 2.961 10 0 FFAELP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000175032094 510447976 /nfs/dbraw/zinc/44/79/76/510447976.db2.gz SPLVQRGFTSPDTQ-ZWKOTPCHSA-N 2 2 372.538 2.961 10 0 FFAELP CCOc1ccccc1NC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246574052 510562774 /nfs/dbraw/zinc/56/27/74/510562774.db2.gz LNLZWSFDWCPNEB-LPHOPBHVSA-N 2 2 357.498 2.973 10 0 FFAELP CCOc1ccccc1NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246574052 510562779 /nfs/dbraw/zinc/56/27/79/510562779.db2.gz LNLZWSFDWCPNEB-LPHOPBHVSA-N 2 2 357.498 2.973 10 0 FFAELP CCOc1ccccc1NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246574052 510562784 /nfs/dbraw/zinc/56/27/84/510562784.db2.gz LNLZWSFDWCPNEB-LPHOPBHVSA-N 2 2 357.498 2.973 10 0 FFAELP CC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195266215 510746574 /nfs/dbraw/zinc/74/65/74/510746574.db2.gz HNHPBFXTRPKVAA-NUEKZKHPSA-N 2 2 352.548 2.508 10 0 FFAELP CC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195266215 510746578 /nfs/dbraw/zinc/74/65/78/510746578.db2.gz HNHPBFXTRPKVAA-NUEKZKHPSA-N 2 2 352.548 2.508 10 0 FFAELP CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195266215 510746584 /nfs/dbraw/zinc/74/65/84/510746584.db2.gz HNHPBFXTRPKVAA-NUEKZKHPSA-N 2 2 352.548 2.508 10 0 FFAELP CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195266215 510746588 /nfs/dbraw/zinc/74/65/88/510746588.db2.gz HNHPBFXTRPKVAA-NUEKZKHPSA-N 2 2 352.548 2.508 10 0 FFAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC2CCCC2)C1 ZINC000195268367 510748109 /nfs/dbraw/zinc/74/81/09/510748109.db2.gz GXWLHIFBWYTLSU-JKSUJKDBSA-N 2 2 364.559 2.653 10 0 FFAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)NC2CCCC2)C1 ZINC000195268367 510748116 /nfs/dbraw/zinc/74/81/16/510748116.db2.gz GXWLHIFBWYTLSU-JKSUJKDBSA-N 2 2 364.559 2.653 10 0 FFAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)NC2CCCC2)C1 ZINC000195268367 510748124 /nfs/dbraw/zinc/74/81/24/510748124.db2.gz GXWLHIFBWYTLSU-JKSUJKDBSA-N 2 2 364.559 2.653 10 0 FFAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)NC2CCCC2)C1 ZINC000195268367 510748131 /nfs/dbraw/zinc/74/81/31/510748131.db2.gz GXWLHIFBWYTLSU-JKSUJKDBSA-N 2 2 364.559 2.653 10 0 FFAELP CC(=O)Nc1ccc(NC(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246929012 510752284 /nfs/dbraw/zinc/75/22/84/510752284.db2.gz SXUYGLLMVCMRLQ-OXJNMPFZSA-N 2 2 370.497 2.532 10 0 FFAELP CC(=O)Nc1ccc(NC(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246929012 510752295 /nfs/dbraw/zinc/75/22/95/510752295.db2.gz SXUYGLLMVCMRLQ-OXJNMPFZSA-N 2 2 370.497 2.532 10 0 FFAELP CC(=O)Nc1ccc(NC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246929012 510752303 /nfs/dbraw/zinc/75/23/03/510752303.db2.gz SXUYGLLMVCMRLQ-OXJNMPFZSA-N 2 2 370.497 2.532 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCOc2ccccc2C(=O)OC)C1 ZINC000182148055 510782918 /nfs/dbraw/zinc/78/29/18/510782918.db2.gz SOGADLCHBBIAJE-MRXNPFEDSA-N 2 2 357.454 2.948 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCOc2ccccc2C(=O)OC)C1 ZINC000182148055 510782925 /nfs/dbraw/zinc/78/29/25/510782925.db2.gz SOGADLCHBBIAJE-MRXNPFEDSA-N 2 2 357.454 2.948 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@@H](O)COCc1ccccc1Cl ZINC000247211600 510852246 /nfs/dbraw/zinc/85/22/46/510852246.db2.gz XVKZFSRVGBDEAA-QZTJIDSGSA-N 2 2 363.889 2.887 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@@H](O)COCc1ccccc1Cl ZINC000247211600 510852247 /nfs/dbraw/zinc/85/22/47/510852247.db2.gz XVKZFSRVGBDEAA-QZTJIDSGSA-N 2 2 363.889 2.887 10 0 FFAELP Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)c1O ZINC000187050094 729372017 /nfs/dbraw/zinc/37/20/17/729372017.db2.gz OOKLHIRCKMHZMJ-DZGCQCFKSA-N 2 2 371.319 2.961 10 0 FFAELP C[C@H](C(=O)Nc1cc(F)ccc1F)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000106165010 250245548 /nfs/dbraw/zinc/24/55/48/250245548.db2.gz NCFVTPUKGCEACC-CYBMUJFWSA-N 2 2 362.424 2.980 10 0 FFAELP C[NH+]1CCN(Nc2[nH+]cnc(Nc3cc(Cl)cc(Cl)c3)c2N)CC1 ZINC000040700948 208263010 /nfs/dbraw/zinc/26/30/10/208263010.db2.gz TUKZIFOOGWRDGG-UHFFFAOYSA-N 2 2 368.272 2.684 10 0 FFAELP Cc1csc(N2CCC([NH2+][C@@H]3CCO[C@H](c4c[nH+]cn4C)C3)CC2)n1 ZINC000329833189 258148576 /nfs/dbraw/zinc/14/85/76/258148576.db2.gz UDYIDPVJLZHJBO-WBVHZDCISA-N 2 2 361.515 2.664 10 0 FFAELP O=C(Nc1ccccc1C[NH+]1CCOCC1)N1CCC([NH+]2CCCC2)CC1 ZINC000048148104 507463522 /nfs/dbraw/zinc/46/35/22/507463522.db2.gz JFFXPGBKTMVIFB-UHFFFAOYSA-N 2 2 372.513 2.611 10 0 FFAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(Cl)s2)C1 ZINC000090003363 507899554 /nfs/dbraw/zinc/89/95/54/507899554.db2.gz GYWMDNYWAOQHIM-ZDUSSCGKSA-N 2 2 366.918 2.706 10 0 FFAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(Cl)s2)C1 ZINC000090003363 507899558 /nfs/dbraw/zinc/89/95/58/507899558.db2.gz GYWMDNYWAOQHIM-ZDUSSCGKSA-N 2 2 366.918 2.706 10 0 FFAELP C[C@H](NC(=O)N1CCC[N@@H+](C2CC2)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000074876682 508066662 /nfs/dbraw/zinc/06/66/62/508066662.db2.gz AZJOAEDPEMHFAS-INIZCTEOSA-N 2 2 353.470 2.813 10 0 FFAELP C[C@H](NC(=O)N1CCC[N@H+](C2CC2)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000074876682 508066664 /nfs/dbraw/zinc/06/66/64/508066664.db2.gz AZJOAEDPEMHFAS-INIZCTEOSA-N 2 2 353.470 2.813 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCOc2cccc(C(=O)OC)c2)C1 ZINC000106211956 508397994 /nfs/dbraw/zinc/39/79/94/508397994.db2.gz VQCSCZYRVPCYGT-QGZVFWFLSA-N 2 2 357.454 2.948 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCOc2cccc(C(=O)OC)c2)C1 ZINC000106211956 508397995 /nfs/dbraw/zinc/39/79/95/508397995.db2.gz VQCSCZYRVPCYGT-QGZVFWFLSA-N 2 2 357.454 2.948 10 0 FFAELP CC[N@H+](Cc1ccc(C(=O)NC[C@H]2C[NH+](C3CC3)CCO2)cc1)C(C)C ZINC000127438015 508449439 /nfs/dbraw/zinc/44/94/39/508449439.db2.gz YXBLGQJGHJSRAK-FQEVSTJZSA-N 2 2 359.514 2.510 10 0 FFAELP CC[N@@H+](Cc1ccc(C(=O)NC[C@H]2C[NH+](C3CC3)CCO2)cc1)C(C)C ZINC000127438015 508449442 /nfs/dbraw/zinc/44/94/42/508449442.db2.gz YXBLGQJGHJSRAK-FQEVSTJZSA-N 2 2 359.514 2.510 10 0 FFAELP CC[NH+](Cc1ccc(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)cc1)C(C)C ZINC000127438015 508449446 /nfs/dbraw/zinc/44/94/46/508449446.db2.gz YXBLGQJGHJSRAK-FQEVSTJZSA-N 2 2 359.514 2.510 10 0 FFAELP CC[NH+](Cc1ccc(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)cc1)C(C)C ZINC000127438015 508449449 /nfs/dbraw/zinc/44/94/49/508449449.db2.gz YXBLGQJGHJSRAK-FQEVSTJZSA-N 2 2 359.514 2.510 10 0 FFAELP O[C@H](COc1cccc2[nH]ccc21)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000158915447 508768472 /nfs/dbraw/zinc/76/84/72/508768472.db2.gz MSVWCISLALZJJZ-IRXDYDNUSA-N 2 2 366.465 2.737 10 0 FFAELP Cc1nc2c(s1)[C@@H]([NH2+]C[C@H](O)C[N@@H+]1CCc3ccccc3C1)CCC2 ZINC000151798193 509084956 /nfs/dbraw/zinc/08/49/56/509084956.db2.gz WIISTVYVWKLKKZ-ROUUACIJSA-N 2 2 357.523 2.838 10 0 FFAELP Cc1nc2c(s1)[C@@H]([NH2+]C[C@H](O)C[N@H+]1CCc3ccccc3C1)CCC2 ZINC000151798193 509084959 /nfs/dbraw/zinc/08/49/59/509084959.db2.gz WIISTVYVWKLKKZ-ROUUACIJSA-N 2 2 357.523 2.838 10 0 FFAELP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2cnc(CC(C)C)s2)nc[nH+]1 ZINC000162542598 509247735 /nfs/dbraw/zinc/24/77/35/509247735.db2.gz UQMPMKMIWZTNCU-CQSZACIVSA-N 2 2 360.531 2.932 10 0 FFAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CC[C@@]4(O)CCCC[C@H]4C3)c2cc1C ZINC000248151122 509248311 /nfs/dbraw/zinc/24/83/11/509248311.db2.gz QUCPVZBSXZACSZ-UEXGIBASSA-N 2 2 357.498 2.641 10 0 FFAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CC[C@@]4(O)CCCC[C@H]4C3)c2cc1C ZINC000248151122 509248317 /nfs/dbraw/zinc/24/83/17/509248317.db2.gz QUCPVZBSXZACSZ-UEXGIBASSA-N 2 2 357.498 2.641 10 0 FFAELP CCC[C@@H](C(=O)OCC)[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000248648126 509415421 /nfs/dbraw/zinc/41/54/21/509415421.db2.gz JJUYLYIHNQTCIN-HOTGVXAUSA-N 2 2 353.532 2.937 10 0 FFAELP CCC[C@@H](C(=O)OCC)[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000248648126 509415427 /nfs/dbraw/zinc/41/54/27/509415427.db2.gz JJUYLYIHNQTCIN-HOTGVXAUSA-N 2 2 353.532 2.937 10 0 FFAELP CCC[C@@H](C(=O)OCC)[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000248648126 509415430 /nfs/dbraw/zinc/41/54/30/509415430.db2.gz JJUYLYIHNQTCIN-HOTGVXAUSA-N 2 2 353.532 2.937 10 0 FFAELP CCC[C@@H](C(=O)OCC)[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000248648126 509415437 /nfs/dbraw/zinc/41/54/37/509415437.db2.gz JJUYLYIHNQTCIN-HOTGVXAUSA-N 2 2 353.532 2.937 10 0 FFAELP C[C@H](NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182850911 509459383 /nfs/dbraw/zinc/45/93/83/509459383.db2.gz BYVQDYZBRMKDDT-JENIJYKNSA-N 2 2 359.518 2.710 10 0 FFAELP C[C@H](NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182850911 509459384 /nfs/dbraw/zinc/45/93/84/509459384.db2.gz BYVQDYZBRMKDDT-JENIJYKNSA-N 2 2 359.518 2.710 10 0 FFAELP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]Cc4nnc5n4CCCC5)[C@H]3C2)cc1 ZINC000248898937 509535882 /nfs/dbraw/zinc/53/58/82/509535882.db2.gz WFAICGLIBIJGSB-FHWLQOOXSA-N 2 2 351.498 2.615 10 0 FFAELP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]Cc4nnc5n4CCCC5)[C@H]3C2)cc1 ZINC000248898937 509535889 /nfs/dbraw/zinc/53/58/89/509535889.db2.gz WFAICGLIBIJGSB-FHWLQOOXSA-N 2 2 351.498 2.615 10 0 FFAELP CCO[C@H]1C[C@@H]([NH2+]CC2([NH+]3CCSCC3)CCCC2)C12CCOCC2 ZINC000186242145 509597417 /nfs/dbraw/zinc/59/74/17/509597417.db2.gz PCWHAJWZZNXSHQ-MSOLQXFVSA-N 2 2 368.587 2.912 10 0 FFAELP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)C12CCOCC2 ZINC000186253757 509603885 /nfs/dbraw/zinc/60/38/85/509603885.db2.gz RVFFQTTWFWVBKR-WOJBJXKFSA-N 2 2 359.514 2.610 10 0 FFAELP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2nc(-c3cccnc3)no2)[C@H](C)C1 ZINC000249483894 509691004 /nfs/dbraw/zinc/69/10/04/509691004.db2.gz UAWBBDKZYUISKQ-NUJGCVRESA-N 2 2 373.501 2.919 10 0 FFAELP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2nc(-c3cccnc3)no2)[C@H](C)C1 ZINC000249483894 509691010 /nfs/dbraw/zinc/69/10/10/509691010.db2.gz UAWBBDKZYUISKQ-NUJGCVRESA-N 2 2 373.501 2.919 10 0 FFAELP CN(C(=O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)C(c1ccccc1)c1ccccc1 ZINC000193620881 509992682 /nfs/dbraw/zinc/99/26/82/509992682.db2.gz OAZBOXHDDSEYPU-OYRHEFFESA-N 2 2 363.505 2.728 10 0 FFAELP CN(C(=O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)C(c1ccccc1)c1ccccc1 ZINC000193620881 509992689 /nfs/dbraw/zinc/99/26/89/509992689.db2.gz OAZBOXHDDSEYPU-OYRHEFFESA-N 2 2 363.505 2.728 10 0 FFAELP CN(C(=O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1)C(c1ccccc1)c1ccccc1 ZINC000193620881 509992691 /nfs/dbraw/zinc/99/26/91/509992691.db2.gz OAZBOXHDDSEYPU-OYRHEFFESA-N 2 2 363.505 2.728 10 0 FFAELP CN(C(=O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1)C(c1ccccc1)c1ccccc1 ZINC000193620881 509992701 /nfs/dbraw/zinc/99/27/01/509992701.db2.gz OAZBOXHDDSEYPU-OYRHEFFESA-N 2 2 363.505 2.728 10 0 FFAELP O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177398900 510035412 /nfs/dbraw/zinc/03/54/12/510035412.db2.gz AFQLCHDTULIXOT-WOJBJXKFSA-N 2 2 367.497 2.894 10 0 FFAELP C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C(=O)NC(=O)NC(C)(C)C ZINC000180654634 510037647 /nfs/dbraw/zinc/03/76/47/510037647.db2.gz QNWXKEFECDSAKS-UONOGXRCSA-N 2 2 357.458 2.536 10 0 FFAELP CC[N@H+](C)Cc1cccc(CNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000177465989 510076599 /nfs/dbraw/zinc/07/65/99/510076599.db2.gz AVXBWVJYYQDUAP-LJQANCHMSA-N 2 2 355.486 2.709 10 0 FFAELP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000177465989 510076609 /nfs/dbraw/zinc/07/66/09/510076609.db2.gz AVXBWVJYYQDUAP-LJQANCHMSA-N 2 2 355.486 2.709 10 0 FFAELP CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+]([C@H](C)c3cccc(OC)c3)CC2)C1 ZINC000245832446 510158222 /nfs/dbraw/zinc/15/82/22/510158222.db2.gz SXJFIXSUGVOMFC-MJGOQNOKSA-N 2 2 374.529 2.568 10 0 FFAELP CC[N@H+]1CCC[C@H](NC(=O)N2CC[NH+]([C@H](C)c3cccc(OC)c3)CC2)C1 ZINC000245832446 510158225 /nfs/dbraw/zinc/15/82/25/510158225.db2.gz SXJFIXSUGVOMFC-MJGOQNOKSA-N 2 2 374.529 2.568 10 0 FFAELP Cc1ncsc1C[N@H+](C)C[C@H]1CCN(C(=O)c2ccc3[nH+]ccn3c2)C1 ZINC000190531121 510187103 /nfs/dbraw/zinc/18/71/03/510187103.db2.gz IDHVGXGKNYVQSA-OAHLLOKOSA-N 2 2 369.494 2.693 10 0 FFAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc3[nH+]ccn3c2)C1 ZINC000190531121 510187108 /nfs/dbraw/zinc/18/71/08/510187108.db2.gz IDHVGXGKNYVQSA-OAHLLOKOSA-N 2 2 369.494 2.693 10 0 FFAELP Cc1ccc(S(=O)(=O)CCC[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000245964064 510230417 /nfs/dbraw/zinc/23/04/17/510230417.db2.gz DTGJYOFHJHAQFV-HKUYNNGSSA-N 2 2 361.511 2.938 10 0 FFAELP Cc1ccc(S(=O)(=O)CCC[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000245964064 510230423 /nfs/dbraw/zinc/23/04/23/510230423.db2.gz DTGJYOFHJHAQFV-HKUYNNGSSA-N 2 2 361.511 2.938 10 0 FFAELP C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCn3cc[nH+]c32)[C@@H]1c1ccc(Cl)cc1 ZINC000246006322 510247192 /nfs/dbraw/zinc/24/71/92/510247192.db2.gz YWRKTVILFQVKDO-ULQDDVLXSA-N 2 2 358.873 2.976 10 0 FFAELP C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCn3cc[nH+]c32)[C@@H]1c1ccc(Cl)cc1 ZINC000246006322 510247199 /nfs/dbraw/zinc/24/71/99/510247199.db2.gz YWRKTVILFQVKDO-ULQDDVLXSA-N 2 2 358.873 2.976 10 0 FFAELP COC(=O)c1cccc(OCC[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000171640565 510270434 /nfs/dbraw/zinc/27/04/34/510270434.db2.gz PLEQRKTYFWOFBW-MRXNPFEDSA-N 2 2 355.438 2.681 10 0 FFAELP COC(=O)c1cccc(OCC[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000171640565 510270441 /nfs/dbraw/zinc/27/04/41/510270441.db2.gz PLEQRKTYFWOFBW-MRXNPFEDSA-N 2 2 355.438 2.681 10 0 FFAELP O=C(C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)N1CCSc2ccccc21 ZINC000171645439 510274498 /nfs/dbraw/zinc/27/44/98/510274498.db2.gz ILJZYVXXHYVOHT-MRXNPFEDSA-N 2 2 368.506 2.954 10 0 FFAELP O=C(C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)N1CCSc2ccccc21 ZINC000171645439 510274502 /nfs/dbraw/zinc/27/45/02/510274502.db2.gz ILJZYVXXHYVOHT-MRXNPFEDSA-N 2 2 368.506 2.954 10 0 FFAELP CCOC(=O)c1c[nH+]c2ccccc2c1N1CC[N@H+](C[C@@H](C)O)[C@H](CC)C1 ZINC000174733216 510277361 /nfs/dbraw/zinc/27/73/61/510277361.db2.gz YPTPJKHMJOSMKY-HZPDHXFCSA-N 2 2 371.481 2.693 10 0 FFAELP CCOC(=O)c1c[nH+]c2ccccc2c1N1CC[N@@H+](C[C@@H](C)O)[C@H](CC)C1 ZINC000174733216 510277368 /nfs/dbraw/zinc/27/73/68/510277368.db2.gz YPTPJKHMJOSMKY-HZPDHXFCSA-N 2 2 371.481 2.693 10 0 FFAELP CCO[C@@H](C)c1nc(C[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)cs1 ZINC000246121250 510304644 /nfs/dbraw/zinc/30/46/44/510304644.db2.gz DCUNOMUNOCLZSQ-FUHWJXTLSA-N 2 2 366.575 2.843 10 0 FFAELP CCO[C@@H](C)c1nc(C[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)cs1 ZINC000246121250 510304652 /nfs/dbraw/zinc/30/46/52/510304652.db2.gz DCUNOMUNOCLZSQ-FUHWJXTLSA-N 2 2 366.575 2.843 10 0 FFAELP Cc1ccc(C)c(OC[C@@H](O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000246208948 510365976 /nfs/dbraw/zinc/36/59/76/510365976.db2.gz ZAISUNBEEUESTC-OALUTQOASA-N 2 2 355.482 2.872 10 0 FFAELP Cc1ccc(C)c(OC[C@@H](O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000246208948 510365983 /nfs/dbraw/zinc/36/59/83/510365983.db2.gz ZAISUNBEEUESTC-OALUTQOASA-N 2 2 355.482 2.872 10 0 FFAELP C[NH+]1CCN([C@H]2CCCC[N@H+](Cc3ccccc3OC(F)F)C2)CC1 ZINC000174886702 510367513 /nfs/dbraw/zinc/36/75/13/510367513.db2.gz JOZJIFPZGWKDBN-KRWDZBQOSA-N 2 2 353.457 2.890 10 0 FFAELP C[NH+]1CCN([C@H]2CCCC[N@@H+](Cc3ccccc3OC(F)F)C2)CC1 ZINC000174886702 510367519 /nfs/dbraw/zinc/36/75/19/510367519.db2.gz JOZJIFPZGWKDBN-KRWDZBQOSA-N 2 2 353.457 2.890 10 0 FFAELP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC000246218516 510371756 /nfs/dbraw/zinc/37/17/56/510371756.db2.gz YLZRRYSBRKAZEK-FXAWDEMLSA-N 2 2 367.497 2.636 10 0 FFAELP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC000246218516 510371767 /nfs/dbraw/zinc/37/17/67/510371767.db2.gz YLZRRYSBRKAZEK-FXAWDEMLSA-N 2 2 367.497 2.636 10 0 FFAELP C[C@@H]1C[NH+](CCCC[NH2+]C2CC[NH+](Cc3cccnc3)CC2)C[C@@H](C)O1 ZINC000178041473 510397021 /nfs/dbraw/zinc/39/70/21/510397021.db2.gz PHFQJCZLGCVCIG-RTBURBONSA-N 3 2 360.546 2.525 10 0 FFAELP C[NH+](C)[C@H](CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)c1ccccc1Cl ZINC000246484523 510513941 /nfs/dbraw/zinc/51/39/41/510513941.db2.gz RWUQDVSPZIIHGE-MAUKXSAKSA-N 2 2 364.921 2.822 10 0 FFAELP C[NH+](C)[C@H](CNC(=O)N1CC[N@H+]2CCCC[C@H]2C1)c1ccccc1Cl ZINC000246484523 510513948 /nfs/dbraw/zinc/51/39/48/510513948.db2.gz RWUQDVSPZIIHGE-MAUKXSAKSA-N 2 2 364.921 2.822 10 0 FFAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](Cc3cc4ccccc4o3)CC2)C1 ZINC000178529858 510648431 /nfs/dbraw/zinc/64/84/31/510648431.db2.gz ZMAUFWCWGIGXKB-FQEVSTJZSA-N 2 2 357.498 2.660 10 0 FFAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](Cc3cc4ccccc4o3)CC2)C1 ZINC000178529858 510648441 /nfs/dbraw/zinc/64/84/41/510648441.db2.gz ZMAUFWCWGIGXKB-FQEVSTJZSA-N 2 2 357.498 2.660 10 0 FFAELP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000246814050 510688729 /nfs/dbraw/zinc/68/87/29/510688729.db2.gz CFVHWEOUXCSVCW-MJGOQNOKSA-N 2 2 371.529 2.840 10 0 FFAELP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000246814050 510688737 /nfs/dbraw/zinc/68/87/37/510688737.db2.gz CFVHWEOUXCSVCW-MJGOQNOKSA-N 2 2 371.529 2.840 10 0 FFAELP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000175626993 510700557 /nfs/dbraw/zinc/70/05/57/510700557.db2.gz DLAOXXLAORIPJP-KRWDZBQOSA-N 2 2 366.469 2.724 10 0 FFAELP O=C1O[C@H](C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CN1c1ccccc1 ZINC000246857597 510712971 /nfs/dbraw/zinc/71/29/71/510712971.db2.gz PLNBYLXMHRNZQT-DBVUQKKJSA-N 2 2 355.482 2.961 10 0 FFAELP O=C1O[C@H](C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CN1c1ccccc1 ZINC000246857597 510712982 /nfs/dbraw/zinc/71/29/82/510712982.db2.gz PLNBYLXMHRNZQT-DBVUQKKJSA-N 2 2 355.482 2.961 10 0 FFAELP O=C1O[C@H](C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CN1c1ccccc1 ZINC000246857597 510712984 /nfs/dbraw/zinc/71/29/84/510712984.db2.gz PLNBYLXMHRNZQT-DBVUQKKJSA-N 2 2 355.482 2.961 10 0 FFAELP CC(=O)Nc1cccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)c1 ZINC000195280215 510757155 /nfs/dbraw/zinc/75/71/55/510757155.db2.gz FXNXRMHCMQREFC-FQEVSTJZSA-N 2 2 352.482 2.994 10 0 FFAELP CC(=O)Nc1cccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)c1 ZINC000195280215 510757163 /nfs/dbraw/zinc/75/71/63/510757163.db2.gz FXNXRMHCMQREFC-FQEVSTJZSA-N 2 2 352.482 2.994 10 0 FFAELP CC(=O)Nc1cccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000195280215 510757171 /nfs/dbraw/zinc/75/71/71/510757171.db2.gz FXNXRMHCMQREFC-FQEVSTJZSA-N 2 2 352.482 2.994 10 0 FFAELP CC(=O)Nc1cccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000195280215 510757180 /nfs/dbraw/zinc/75/71/80/510757180.db2.gz FXNXRMHCMQREFC-FQEVSTJZSA-N 2 2 352.482 2.994 10 0 FFAELP COc1ccc(C)cc1NC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246941743 510759035 /nfs/dbraw/zinc/75/90/35/510759035.db2.gz UFKZQWKKBWEAPE-LPHOPBHVSA-N 2 2 357.498 2.891 10 0 FFAELP COc1ccc(C)cc1NC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246941743 510759040 /nfs/dbraw/zinc/75/90/40/510759040.db2.gz UFKZQWKKBWEAPE-LPHOPBHVSA-N 2 2 357.498 2.891 10 0 FFAELP COc1ccc(C)cc1NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246941743 510759046 /nfs/dbraw/zinc/75/90/46/510759046.db2.gz UFKZQWKKBWEAPE-LPHOPBHVSA-N 2 2 357.498 2.891 10 0 FFAELP COc1ccc(C)cc1NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246941743 510759050 /nfs/dbraw/zinc/75/90/50/510759050.db2.gz UFKZQWKKBWEAPE-LPHOPBHVSA-N 2 2 357.498 2.891 10 0 FFAELP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000247035020 510809958 /nfs/dbraw/zinc/80/99/58/510809958.db2.gz HWJBCWFRNJSDSA-SJLPKXTDSA-N 2 2 359.518 2.600 10 0 FFAELP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000247035020 510809960 /nfs/dbraw/zinc/80/99/60/510809960.db2.gz HWJBCWFRNJSDSA-SJLPKXTDSA-N 2 2 359.518 2.600 10 0 FFAELP CC(=O)N(c1nc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cs1)C1CC1 ZINC000247738797 510869455 /nfs/dbraw/zinc/86/94/55/510869455.db2.gz VUQVNAKOUIFBLU-SUMWQHHRSA-N 2 2 359.499 2.938 10 0 FFAELP CC(=O)N(c1nc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cs1)C1CC1 ZINC000247738797 510869456 /nfs/dbraw/zinc/86/94/56/510869456.db2.gz VUQVNAKOUIFBLU-SUMWQHHRSA-N 2 2 359.499 2.938 10 0 FFAELP O[C@@H](C[NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)COCc1ccco1 ZINC000379648085 512870272 /nfs/dbraw/zinc/87/02/72/512870272.db2.gz LXSDMCNFHXPLKP-PMACEKPBSA-N 2 2 358.482 2.801 10 0 FFAELP O[C@@H](C[NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1)COCc1ccco1 ZINC000379648085 512870278 /nfs/dbraw/zinc/87/02/78/512870278.db2.gz LXSDMCNFHXPLKP-PMACEKPBSA-N 2 2 358.482 2.801 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cn1c(-c2ccccn2)csc1=O ZINC000176083297 729108760 /nfs/dbraw/zinc/10/87/60/729108760.db2.gz HVGTUTTVFHCRFY-OAHLLOKOSA-N 2 2 355.467 2.599 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cn1c(-c2ccccn2)csc1=O ZINC000176083297 729108762 /nfs/dbraw/zinc/10/87/62/729108762.db2.gz HVGTUTTVFHCRFY-OAHLLOKOSA-N 2 2 355.467 2.599 10 0 FFAELP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NC[C@H]2C[N@H+](C)CCO2)c1 ZINC000105282021 250208445 /nfs/dbraw/zinc/20/84/45/250208445.db2.gz RAXQFSNNZJOCLX-SFHVURJKSA-N 2 2 371.485 2.507 10 0 FFAELP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NC[C@H]2C[N@@H+](C)CCO2)c1 ZINC000105282021 250208450 /nfs/dbraw/zinc/20/84/50/250208450.db2.gz RAXQFSNNZJOCLX-SFHVURJKSA-N 2 2 371.485 2.507 10 0 FFAELP Cc1cc2[nH+]cn(C[C@@H](O)C[NH+]3CCC(Cn4cccn4)CC3)c2cc1C ZINC000106182659 250250892 /nfs/dbraw/zinc/25/08/92/250250892.db2.gz WWNNREDEKYVABE-IBGZPJMESA-N 2 2 367.497 2.623 10 0 FFAELP Cc1nc(N2C[C@H]3OCC[N@H+](Cc4ccccc4)[C@H]3C2)c2c([nH+]1)CCCC2 ZINC000302081669 258086789 /nfs/dbraw/zinc/08/67/89/258086789.db2.gz JJABIRSQZYRBNX-LEWJYISDSA-N 2 2 364.493 2.753 10 0 FFAELP Cc1nc(N2C[C@H]3OCC[N@@H+](Cc4ccccc4)[C@H]3C2)c2c([nH+]1)CCCC2 ZINC000302081669 258086791 /nfs/dbraw/zinc/08/67/91/258086791.db2.gz JJABIRSQZYRBNX-LEWJYISDSA-N 2 2 364.493 2.753 10 0 FFAELP CCc1[nH+]c(C)nc(N2CC[NH+](C[C@@H](C)O)CC2)c1Cc1cccc(C)c1 ZINC000036340684 506402554 /nfs/dbraw/zinc/40/25/54/506402554.db2.gz FFQKMEBUYLUESD-QGZVFWFLSA-N 2 2 368.525 2.749 10 0 FFAELP C[NH+](C)C[C@@H](NC(=O)NC1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000048216747 507480207 /nfs/dbraw/zinc/48/02/07/507480207.db2.gz JNXVBHCWCRHNTM-LJQANCHMSA-N 2 2 367.497 2.653 10 0 FFAELP C[NH+](C)C[C@H]1CN(c2cc[nH+]c3c(Br)cccc23)CCO1 ZINC000108952116 507928117 /nfs/dbraw/zinc/92/81/17/507928117.db2.gz UCKGPMOGORNQRI-LBPRGKRZSA-N 2 2 350.260 2.764 10 0 FFAELP COCCCOc1cccc(C[NH+]2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)c1 ZINC000092091231 508042448 /nfs/dbraw/zinc/04/24/48/508042448.db2.gz BYVICOHPAGHOKQ-SFHVURJKSA-N 2 2 362.514 2.787 10 0 FFAELP COCCCOc1cccc(C[NH+]2CCC([N@H+]3CCO[C@@H](C)C3)CC2)c1 ZINC000092091231 508042450 /nfs/dbraw/zinc/04/24/50/508042450.db2.gz BYVICOHPAGHOKQ-SFHVURJKSA-N 2 2 362.514 2.787 10 0 FFAELP Cc1ccc(NC(=O)C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1C ZINC000106130631 508395898 /nfs/dbraw/zinc/39/58/98/508395898.db2.gz QIELFYGMPIGTIK-UHFFFAOYSA-N 2 2 369.513 2.535 10 0 FFAELP Cc1ccc(NC(=O)C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1C ZINC000106130631 508395900 /nfs/dbraw/zinc/39/59/00/508395900.db2.gz QIELFYGMPIGTIK-UHFFFAOYSA-N 2 2 369.513 2.535 10 0 FFAELP CC[N@H+](C)[C@@H](C(=O)N1CCC(Cc2[nH+]ccn2C)CC1)c1ccccc1 ZINC000121946018 508454788 /nfs/dbraw/zinc/45/47/88/508454788.db2.gz DHUHXDJLJABAHQ-HXUWFJFHSA-N 2 2 354.498 2.894 10 0 FFAELP CC[N@@H+](C)[C@@H](C(=O)N1CCC(Cc2[nH+]ccn2C)CC1)c1ccccc1 ZINC000121946018 508454790 /nfs/dbraw/zinc/45/47/90/508454790.db2.gz DHUHXDJLJABAHQ-HXUWFJFHSA-N 2 2 354.498 2.894 10 0 FFAELP Cc1ccc([C@H](C)NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000156960176 508503316 /nfs/dbraw/zinc/50/33/16/508503316.db2.gz IDPBKCBHUDLEBF-INIZCTEOSA-N 2 2 364.509 2.863 10 0 FFAELP Cc1ccc([C@H](C)NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000156960176 508503319 /nfs/dbraw/zinc/50/33/19/508503319.db2.gz IDPBKCBHUDLEBF-INIZCTEOSA-N 2 2 364.509 2.863 10 0 FFAELP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)Nc3nnc(C(C)C)s3)C2)[nH+]1 ZINC000136962485 508727918 /nfs/dbraw/zinc/72/79/18/508727918.db2.gz CGHDTITVARVEQV-AWEZNQCLSA-N 2 2 374.514 2.737 10 0 FFAELP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)Nc3nnc(C(C)C)s3)C2)[nH+]1 ZINC000136962485 508727921 /nfs/dbraw/zinc/72/79/21/508727921.db2.gz CGHDTITVARVEQV-AWEZNQCLSA-N 2 2 374.514 2.737 10 0 FFAELP Cc1cccc(C)c1OCC[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000155110690 508926324 /nfs/dbraw/zinc/92/63/24/508926324.db2.gz RXMNSIPUCWBIJJ-UHFFFAOYSA-N 2 2 356.514 2.975 10 0 FFAELP Cc1cccc(C)c1OCC[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000155110690 508926326 /nfs/dbraw/zinc/92/63/26/508926326.db2.gz RXMNSIPUCWBIJJ-UHFFFAOYSA-N 2 2 356.514 2.975 10 0 FFAELP Cc1c([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)cnn1-c1ccc(F)cc1 ZINC000151276840 508991248 /nfs/dbraw/zinc/99/12/48/508991248.db2.gz HERNLUCPOAHWRF-KXBFYZLASA-N 2 2 360.477 2.817 10 0 FFAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](C/C=C/c3ccc(F)cc3)CC2)C1 ZINC000121056298 509118954 /nfs/dbraw/zinc/11/89/54/509118954.db2.gz XYQHUNULTFITHO-SHTLVRLNSA-N 2 2 361.505 2.566 10 0 FFAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](C/C=C/c3ccc(F)cc3)CC2)C1 ZINC000121056298 509118957 /nfs/dbraw/zinc/11/89/57/509118957.db2.gz XYQHUNULTFITHO-SHTLVRLNSA-N 2 2 361.505 2.566 10 0 FFAELP Cc1[nH+]c2ccccc2n1CCNC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000133285134 509142761 /nfs/dbraw/zinc/14/27/61/509142761.db2.gz ZZPHQVJZQCVHCX-QGZVFWFLSA-N 2 2 357.502 2.764 10 0 FFAELP Cc1[nH+]c2ccccc2n1CCNC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000133285134 509142762 /nfs/dbraw/zinc/14/27/62/509142762.db2.gz ZZPHQVJZQCVHCX-QGZVFWFLSA-N 2 2 357.502 2.764 10 0 FFAELP COC(=O)c1ccccc1-c1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCCC2)o1 ZINC000133293381 509143674 /nfs/dbraw/zinc/14/36/74/509143674.db2.gz DHWSATBGIGESOS-INIZCTEOSA-N 2 2 372.465 2.670 10 0 FFAELP Cc1cc(N2CCC([N@H+](C)CC(=O)OC(C)(C)C)CC2)nc(C2CC2)[nH+]1 ZINC000191800318 509187861 /nfs/dbraw/zinc/18/78/61/509187861.db2.gz ADXNXFBDTPZSNB-UHFFFAOYSA-N 2 2 360.502 2.905 10 0 FFAELP Cc1cc(N2CCC([N@@H+](C)CC(=O)OC(C)(C)C)CC2)nc(C2CC2)[nH+]1 ZINC000191800318 509187870 /nfs/dbraw/zinc/18/78/70/509187870.db2.gz ADXNXFBDTPZSNB-UHFFFAOYSA-N 2 2 360.502 2.905 10 0 FFAELP CCCC[C@@H](C(=O)OC)[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000248658511 509423409 /nfs/dbraw/zinc/42/34/09/509423409.db2.gz UBTALRBPACKGGI-HOTGVXAUSA-N 2 2 353.532 2.937 10 0 FFAELP CCCC[C@@H](C(=O)OC)[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000248658511 509423416 /nfs/dbraw/zinc/42/34/16/509423416.db2.gz UBTALRBPACKGGI-HOTGVXAUSA-N 2 2 353.532 2.937 10 0 FFAELP CCCC[C@@H](C(=O)OC)[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000248658511 509423422 /nfs/dbraw/zinc/42/34/22/509423422.db2.gz UBTALRBPACKGGI-HOTGVXAUSA-N 2 2 353.532 2.937 10 0 FFAELP C[C@@H](C[N@H+](C)Cc1ccccc1)Nc1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000192351981 509477271 /nfs/dbraw/zinc/47/72/71/509477271.db2.gz MQUFOPGQOWGPMO-PKOBYXMFSA-N 2 2 369.513 2.760 10 0 FFAELP C[C@@H](C[N@@H+](C)Cc1ccccc1)Nc1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000192351981 509477275 /nfs/dbraw/zinc/47/72/75/509477275.db2.gz MQUFOPGQOWGPMO-PKOBYXMFSA-N 2 2 369.513 2.760 10 0 FFAELP C[N@H+](Cc1ccc(-n2cccn2)cc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000170942144 509859053 /nfs/dbraw/zinc/85/90/53/509859053.db2.gz NCLYXZMWDWXELO-UHFFFAOYSA-N 2 2 364.497 2.665 10 0 FFAELP C[N@@H+](Cc1ccc(-n2cccn2)cc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000170942144 509859062 /nfs/dbraw/zinc/85/90/62/509859062.db2.gz NCLYXZMWDWXELO-UHFFFAOYSA-N 2 2 364.497 2.665 10 0 FFAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2ccc(OC)c(F)c2)nc[nH+]1 ZINC000180576688 509992897 /nfs/dbraw/zinc/99/28/97/509992897.db2.gz NXJHUXLEORSLNM-HIFRSBDPSA-N 2 2 359.449 2.986 10 0 FFAELP C[C@H]([NH2+]CC(=O)NCCOc1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180668100 510045242 /nfs/dbraw/zinc/04/52/42/510045242.db2.gz GVCLHKPCKHZILK-KRWDZBQOSA-N 2 2 364.449 2.718 10 0 FFAELP CCc1nn(C)c(CC)c1C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190481020 510155839 /nfs/dbraw/zinc/15/58/39/510155839.db2.gz BLYLHVHDCJLPRV-GOSISDBHSA-N 2 2 355.530 2.894 10 0 FFAELP CCc1nn(C)c(CC)c1C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190481020 510155848 /nfs/dbraw/zinc/15/58/48/510155848.db2.gz BLYLHVHDCJLPRV-GOSISDBHSA-N 2 2 355.530 2.894 10 0 FFAELP CCc1nn(C)c(CC)c1C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190481020 510155855 /nfs/dbraw/zinc/15/58/55/510155855.db2.gz BLYLHVHDCJLPRV-GOSISDBHSA-N 2 2 355.530 2.894 10 0 FFAELP CCc1nn(C)c(CC)c1C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190481020 510155860 /nfs/dbraw/zinc/15/58/60/510155860.db2.gz BLYLHVHDCJLPRV-GOSISDBHSA-N 2 2 355.530 2.894 10 0 FFAELP CCN(C(C)=O)c1nc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)cs1 ZINC000171502943 510196370 /nfs/dbraw/zinc/19/63/70/510196370.db2.gz NSTKMYCJXKOKCV-UHFFFAOYSA-N 2 2 361.515 2.704 10 0 FFAELP C[C@H](C(=O)N1CCc2ccccc21)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246171953 510337857 /nfs/dbraw/zinc/33/78/57/510337857.db2.gz SKSVARAWSXDGGD-SJORKVTESA-N 2 2 350.466 2.793 10 0 FFAELP C[C@H](C(=O)N1CCc2ccccc21)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246171953 510337862 /nfs/dbraw/zinc/33/78/62/510337862.db2.gz SKSVARAWSXDGGD-SJORKVTESA-N 2 2 350.466 2.793 10 0 FFAELP CCC(CC)[C@H](CNc1cc(N2CCC[C@H]2CO)[nH+]cn1)[NH+]1CCCC1 ZINC000246178946 510342402 /nfs/dbraw/zinc/34/24/02/510342402.db2.gz PWGLSCLAGWVIPD-ROUUACIJSA-N 2 2 361.534 2.750 10 0 FFAELP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)c(C)c1 ZINC000174876814 510359770 /nfs/dbraw/zinc/35/97/70/510359770.db2.gz ZZTZAOMEGVNKHI-PMACEKPBSA-N 2 2 372.557 2.732 10 0 FFAELP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)c(C)c1 ZINC000174876814 510359774 /nfs/dbraw/zinc/35/97/74/510359774.db2.gz ZZTZAOMEGVNKHI-PMACEKPBSA-N 2 2 372.557 2.732 10 0 FFAELP CCc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)cc1 ZINC000174895733 510372504 /nfs/dbraw/zinc/37/25/04/510372504.db2.gz DHWIVLIUOBRQNY-NQIIRXRSSA-N 2 2 372.557 2.678 10 0 FFAELP CCc1ccc(NC(=O)[C@@H](C)[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)cc1 ZINC000174895733 510372512 /nfs/dbraw/zinc/37/25/12/510372512.db2.gz DHWIVLIUOBRQNY-NQIIRXRSSA-N 2 2 372.557 2.678 10 0 FFAELP OC[C@H]1CCCN1c1cc(NCc2ccccc2C[NH+]2CCCC2)nc[nH+]1 ZINC000171812828 510384825 /nfs/dbraw/zinc/38/48/25/510384825.db2.gz YQRANIKCEOAZCD-LJQANCHMSA-N 2 2 367.497 2.646 10 0 FFAELP OC[C@H]1CCCN1c1cc(NCc2ccccc2C[NH+]2CCCC2)[nH+]cn1 ZINC000171812828 510384831 /nfs/dbraw/zinc/38/48/31/510384831.db2.gz YQRANIKCEOAZCD-LJQANCHMSA-N 2 2 367.497 2.646 10 0 FFAELP C[C@@H]1C[C@@H](NC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)C[N@@H+]1Cc1ccccc1 ZINC000246445940 510492631 /nfs/dbraw/zinc/49/26/31/510492631.db2.gz DTQZNSTUHRUVIA-RLLQIKCJSA-N 2 2 367.497 2.720 10 0 FFAELP C[C@@H]1C[C@@H](NC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)C[N@H+]1Cc1ccccc1 ZINC000246445940 510492635 /nfs/dbraw/zinc/49/26/35/510492635.db2.gz DTQZNSTUHRUVIA-RLLQIKCJSA-N 2 2 367.497 2.720 10 0 FFAELP CC(=O)c1ccc(NC(=O)CC[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1 ZINC000178751938 510754057 /nfs/dbraw/zinc/75/40/57/510754057.db2.gz LFIJWVMDVBCHQJ-IBGZPJMESA-N 2 2 354.454 2.887 10 0 FFAELP CC(=O)c1ccc(NC(=O)CC[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1 ZINC000178751938 510754062 /nfs/dbraw/zinc/75/40/62/510754062.db2.gz LFIJWVMDVBCHQJ-IBGZPJMESA-N 2 2 354.454 2.887 10 0 FFAELP COc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1Cl ZINC000178754256 510756842 /nfs/dbraw/zinc/75/68/42/510756842.db2.gz LQJRNWOMMCJADH-HNNXBMFYSA-N 2 2 362.861 2.957 10 0 FFAELP COc1ccc(NC(=O)C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1Cl ZINC000178754256 510756846 /nfs/dbraw/zinc/75/68/46/510756846.db2.gz LQJRNWOMMCJADH-HNNXBMFYSA-N 2 2 362.861 2.957 10 0 FFAELP COc1cccc(CN(C)C(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246945698 510761342 /nfs/dbraw/zinc/76/13/42/510761342.db2.gz UKBIGEMOLMVDAH-GHTZIAJQSA-N 2 2 371.525 2.602 10 0 FFAELP COc1cccc(CN(C)C(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246945698 510761348 /nfs/dbraw/zinc/76/13/48/510761348.db2.gz UKBIGEMOLMVDAH-GHTZIAJQSA-N 2 2 371.525 2.602 10 0 FFAELP COc1cccc(CN(C)C(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246945698 510761360 /nfs/dbraw/zinc/76/13/60/510761360.db2.gz UKBIGEMOLMVDAH-GHTZIAJQSA-N 2 2 371.525 2.602 10 0 FFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000247068138 510824800 /nfs/dbraw/zinc/82/48/00/510824800.db2.gz OLNBOYFFXLSRJN-OALUTQOASA-N 2 2 367.497 2.684 10 0 FFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000247068138 510824806 /nfs/dbraw/zinc/82/48/06/510824806.db2.gz OLNBOYFFXLSRJN-OALUTQOASA-N 2 2 367.497 2.684 10 0 FFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000247068138 510824815 /nfs/dbraw/zinc/82/48/15/510824815.db2.gz OLNBOYFFXLSRJN-OALUTQOASA-N 3 2 367.497 2.684 10 0 FFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000247068138 510824819 /nfs/dbraw/zinc/82/48/19/510824819.db2.gz OLNBOYFFXLSRJN-OALUTQOASA-N 3 2 367.497 2.684 10 0 FFAELP O[C@@H](COc1ccccc1Cl)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000247392128 510859427 /nfs/dbraw/zinc/85/94/27/510859427.db2.gz QEYDDEISFRATJJ-JKSUJKDBSA-N 2 2 361.873 2.909 10 0 FFAELP O[C@@H](COc1ccccc1Cl)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000247392128 510859428 /nfs/dbraw/zinc/85/94/28/510859428.db2.gz QEYDDEISFRATJJ-JKSUJKDBSA-N 2 2 361.873 2.909 10 0 FFAELP C[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](Cc1cnc3cnccn13)CC2 ZINC000275635904 523603170 /nfs/dbraw/zinc/60/31/70/523603170.db2.gz JYDPHAROYXKKSM-MRXNPFEDSA-N 2 2 368.510 2.672 10 0 FFAELP C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](Cc1cnc3cnccn13)CC2 ZINC000275635904 523603178 /nfs/dbraw/zinc/60/31/78/523603178.db2.gz JYDPHAROYXKKSM-MRXNPFEDSA-N 2 2 368.510 2.672 10 0 FFAELP Cc1ccc(Cc2c(C)[nH+]c(C)nc2N2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000036316574 571149574 /nfs/dbraw/zinc/14/95/74/571149574.db2.gz LTCCXTJICSDLOD-UHFFFAOYSA-N 2 2 368.525 2.886 10 0 FFAELP O=C(CC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)NC(=O)Nc1ccccc1 ZINC000103473717 250152731 /nfs/dbraw/zinc/15/27/31/250152731.db2.gz FYISZMMUHKFCNR-MRXNPFEDSA-N 2 2 367.453 2.554 10 0 FFAELP O=C(CC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)NC(=O)Nc1ccccc1 ZINC000103473717 250152736 /nfs/dbraw/zinc/15/27/36/250152736.db2.gz FYISZMMUHKFCNR-MRXNPFEDSA-N 2 2 367.453 2.554 10 0 FFAELP O=C(CC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)N1CCc2sccc2C1 ZINC000103473557 250152816 /nfs/dbraw/zinc/15/28/16/250152816.db2.gz FORWKWMTHANXHW-MRXNPFEDSA-N 2 2 370.522 2.852 10 0 FFAELP O=C(CC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)N1CCc2sccc2C1 ZINC000103473557 250152820 /nfs/dbraw/zinc/15/28/20/250152820.db2.gz FORWKWMTHANXHW-MRXNPFEDSA-N 2 2 370.522 2.852 10 0 FFAELP CC1CCN(c2ccc(CNC(=O)N3CC[N@@H+]4CCCC[C@@H]4C3)c[nH+]2)CC1 ZINC000105114943 250198613 /nfs/dbraw/zinc/19/86/13/250198613.db2.gz HOXCMXZXBACAKN-LJQANCHMSA-N 2 2 371.529 2.698 10 0 FFAELP CC1CCN(c2ccc(CNC(=O)N3CC[N@H+]4CCCC[C@@H]4C3)c[nH+]2)CC1 ZINC000105114943 250198616 /nfs/dbraw/zinc/19/86/16/250198616.db2.gz HOXCMXZXBACAKN-LJQANCHMSA-N 2 2 371.529 2.698 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)Nc2ccc(OC)cc2OC)C1 ZINC000106216360 250254413 /nfs/dbraw/zinc/25/44/13/250254413.db2.gz ZQXQGQNNDYVIPD-HNNXBMFYSA-N 2 2 372.469 2.738 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(OC)cc2OC)C1 ZINC000106216360 250254418 /nfs/dbraw/zinc/25/44/18/250254418.db2.gz ZQXQGQNNDYVIPD-HNNXBMFYSA-N 2 2 372.469 2.738 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)NCc2cc(F)cc(F)c2)C1 ZINC000106212547 250256639 /nfs/dbraw/zinc/25/66/39/250256639.db2.gz UGERFPSIWIBZPC-KRWDZBQOSA-N 2 2 362.424 2.677 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)NCc2cc(F)cc(F)c2)C1 ZINC000106212547 250256643 /nfs/dbraw/zinc/25/66/43/250256643.db2.gz UGERFPSIWIBZPC-KRWDZBQOSA-N 2 2 362.424 2.677 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cc(=O)n3c(C)cccc3n2)C1 ZINC000106217538 250259952 /nfs/dbraw/zinc/25/99/52/250259952.db2.gz TZNZTWBBWSGEKI-QGZVFWFLSA-N 2 2 351.454 2.599 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cc(=O)n3c(C)cccc3n2)C1 ZINC000106217538 250259957 /nfs/dbraw/zinc/25/99/57/250259957.db2.gz TZNZTWBBWSGEKI-QGZVFWFLSA-N 2 2 351.454 2.599 10 0 FFAELP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000175507583 251220532 /nfs/dbraw/zinc/22/05/32/251220532.db2.gz NONILSWZTORHOW-IBGZPJMESA-N 2 2 369.513 2.752 10 0 FFAELP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000175507583 251220535 /nfs/dbraw/zinc/22/05/35/251220535.db2.gz NONILSWZTORHOW-IBGZPJMESA-N 2 2 369.513 2.752 10 0 FFAELP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@H]3CCCC[NH2+]C3)n2)C1 ZINC000333088939 258249111 /nfs/dbraw/zinc/24/91/11/258249111.db2.gz CCBGWGKESGUQNM-KBPBESRZSA-N 2 2 351.520 2.639 10 0 FFAELP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@H]3CCCC[NH2+]C3)n2)C1 ZINC000333088939 258249112 /nfs/dbraw/zinc/24/91/12/258249112.db2.gz CCBGWGKESGUQNM-KBPBESRZSA-N 2 2 351.520 2.639 10 0 FFAELP O=C(NCc1ccc(N2CCCC2)[nH+]c1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107831581 507869382 /nfs/dbraw/zinc/86/93/82/507869382.db2.gz KJKYZMOVMQYOFW-IBGZPJMESA-N 2 2 371.529 2.842 10 0 FFAELP C[NH+](C)C[C@@H]1CN(c2cc[nH+]c3c(Br)cccc23)CCO1 ZINC000108952113 507928155 /nfs/dbraw/zinc/92/81/55/507928155.db2.gz UCKGPMOGORNQRI-GFCCVEGCSA-N 2 2 350.260 2.764 10 0 FFAELP CNc1cc(N2CCC[C@@H]2C[NH2+]CC2=Cc3ccccc3OC2)nc[nH+]1 ZINC000109069857 507936063 /nfs/dbraw/zinc/93/60/63/507936063.db2.gz YPXSFPYDSJPPRL-QGZVFWFLSA-N 2 2 351.454 2.553 10 0 FFAELP C[C@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000091349404 507981492 /nfs/dbraw/zinc/98/14/92/507981492.db2.gz GXTPWSVBZRYVOS-GJZGRUSLSA-N 2 2 370.478 2.932 10 0 FFAELP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(F)cc3Cl)CC2)CC1 ZINC000109789694 507987392 /nfs/dbraw/zinc/98/73/92/507987392.db2.gz IKLWWCZLKJEDPW-UHFFFAOYSA-N 2 2 367.896 2.855 10 0 FFAELP COc1ccc(-c2n[nH]cc2C[NH+]2CCC([N@@H+]3CCO[C@H](C)C3)CC2)cc1 ZINC000092091098 508041905 /nfs/dbraw/zinc/04/19/05/508041905.db2.gz CMFVIWLLZYOHTB-MRXNPFEDSA-N 2 2 370.497 2.770 10 0 FFAELP COc1ccc(-c2n[nH]cc2C[NH+]2CCC([N@H+]3CCO[C@H](C)C3)CC2)cc1 ZINC000092091098 508041908 /nfs/dbraw/zinc/04/19/08/508041908.db2.gz CMFVIWLLZYOHTB-MRXNPFEDSA-N 2 2 370.497 2.770 10 0 FFAELP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCCn2cc[nH+]c21)c1cccc(OC)c1 ZINC000080509842 508080005 /nfs/dbraw/zinc/08/00/05/508080005.db2.gz WOTVSZYUMPTBNP-RBUKOAKNSA-N 2 2 370.497 2.968 10 0 FFAELP CC(C)C[NH+]1CCN(C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000080551191 508083609 /nfs/dbraw/zinc/08/36/09/508083609.db2.gz LNINDULUCNJPHE-KRWDZBQOSA-N 2 2 355.486 2.917 10 0 FFAELP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1)C2 ZINC000112743103 508218652 /nfs/dbraw/zinc/21/86/52/508218652.db2.gz MNBDUWOWSOYRFK-HOTGVXAUSA-N 2 2 361.534 2.732 10 0 FFAELP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1)C2 ZINC000112743103 508218654 /nfs/dbraw/zinc/21/86/54/508218654.db2.gz MNBDUWOWSOYRFK-HOTGVXAUSA-N 2 2 361.534 2.732 10 0 FFAELP C[C@@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc2c(c1)OCCO2 ZINC000098144137 508237691 /nfs/dbraw/zinc/23/76/91/508237691.db2.gz GDFIOOWTJFAAFQ-UZLBHIALSA-N 2 2 368.477 2.528 10 0 FFAELP C[C@@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc2c(c1)OCCO2 ZINC000098144137 508237694 /nfs/dbraw/zinc/23/76/94/508237694.db2.gz GDFIOOWTJFAAFQ-UZLBHIALSA-N 2 2 368.477 2.528 10 0 FFAELP CN(Cc1ccccc1)C(=O)C1(c2ccccc2)CC[NH+](CC[NH3+])CC1 ZINC000144940137 508842272 /nfs/dbraw/zinc/84/22/72/508842272.db2.gz SWTBRGNHKWOFPE-UHFFFAOYSA-N 2 2 351.494 2.638 10 0 FFAELP CNC(=O)C[NH+]1CCC(CN(C)c2cc(C)[nH+]c3c(F)cccc23)CC1 ZINC000126963630 509153368 /nfs/dbraw/zinc/15/33/68/509153368.db2.gz KSUXJNPHGRYRHL-UHFFFAOYSA-N 2 2 358.461 2.577 10 0 FFAELP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H](O)c3cccc(Br)c3)CC[C@H]21 ZINC000247982700 509210827 /nfs/dbraw/zinc/21/08/27/509210827.db2.gz NEUQSLZAYCGBGE-OIISXLGYSA-N 2 2 353.304 2.899 10 0 FFAELP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H](O)c3cccc(Br)c3)CC[C@H]21 ZINC000247982700 509210832 /nfs/dbraw/zinc/21/08/32/509210832.db2.gz NEUQSLZAYCGBGE-OIISXLGYSA-N 2 2 353.304 2.899 10 0 FFAELP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H](O)c3cccc(Br)c3)CC[C@H]21 ZINC000247982700 509210834 /nfs/dbraw/zinc/21/08/34/509210834.db2.gz NEUQSLZAYCGBGE-OIISXLGYSA-N 2 2 353.304 2.899 10 0 FFAELP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H](O)c3cccc(Br)c3)CC[C@H]21 ZINC000247982700 509210837 /nfs/dbraw/zinc/21/08/37/509210837.db2.gz NEUQSLZAYCGBGE-OIISXLGYSA-N 2 2 353.304 2.899 10 0 FFAELP O=C(NCc1[nH+]ccn1CCc1ccccc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000175923805 509218505 /nfs/dbraw/zinc/21/85/05/509218505.db2.gz CBVNDCBMMQZVHW-LJQANCHMSA-N 2 2 367.497 2.506 10 0 FFAELP O=C(NCc1[nH+]ccn1CCc1ccccc1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000175923805 509218510 /nfs/dbraw/zinc/21/85/10/509218510.db2.gz CBVNDCBMMQZVHW-LJQANCHMSA-N 2 2 367.497 2.506 10 0 FFAELP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)Nc3ccccc3OC(F)F)CC[C@H]21 ZINC000248161075 509251475 /nfs/dbraw/zinc/25/14/75/509251475.db2.gz SCWAQVFKMJHSLN-DZGCQCFKSA-N 2 2 353.413 2.643 10 0 FFAELP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)Nc3ccccc3OC(F)F)CC[C@H]21 ZINC000248161075 509251478 /nfs/dbraw/zinc/25/14/78/509251478.db2.gz SCWAQVFKMJHSLN-DZGCQCFKSA-N 2 2 353.413 2.643 10 0 FFAELP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)Nc3ccccc3OC(F)F)CC[C@H]21 ZINC000248161075 509251481 /nfs/dbraw/zinc/25/14/81/509251481.db2.gz SCWAQVFKMJHSLN-DZGCQCFKSA-N 2 2 353.413 2.643 10 0 FFAELP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)Nc3ccccc3OC(F)F)CC[C@H]21 ZINC000248161075 509251487 /nfs/dbraw/zinc/25/14/87/509251487.db2.gz SCWAQVFKMJHSLN-DZGCQCFKSA-N 2 2 353.413 2.643 10 0 FFAELP CC(C)N(C(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1)C(C)C ZINC000248639604 509407594 /nfs/dbraw/zinc/40/75/94/509407594.db2.gz BIHAKXJFPBZQJM-QUCCMNQESA-N 2 2 360.546 2.869 10 0 FFAELP CC(C)N(C(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1)C(C)C ZINC000248639604 509407605 /nfs/dbraw/zinc/40/76/05/509407605.db2.gz BIHAKXJFPBZQJM-QUCCMNQESA-N 2 2 360.546 2.869 10 0 FFAELP CC(C)N(C(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1)C(C)C ZINC000248639604 509407612 /nfs/dbraw/zinc/40/76/12/509407612.db2.gz BIHAKXJFPBZQJM-QUCCMNQESA-N 2 2 360.546 2.869 10 0 FFAELP CC(C)N(C(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1)C(C)C ZINC000248639604 509407618 /nfs/dbraw/zinc/40/76/18/509407618.db2.gz BIHAKXJFPBZQJM-QUCCMNQESA-N 2 2 360.546 2.869 10 0 FFAELP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000176561439 509585115 /nfs/dbraw/zinc/58/51/15/509585115.db2.gz XUTGRSKTDPEKNA-DLBZAZTESA-N 2 2 369.469 2.663 10 0 FFAELP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000176561439 509585119 /nfs/dbraw/zinc/58/51/19/509585119.db2.gz XUTGRSKTDPEKNA-DLBZAZTESA-N 2 2 369.469 2.663 10 0 FFAELP C[N@H+]1C[C@@H]2C[NH+](CC(=O)N[C@@H](Cc3ccccc3)c3ccccc3)C[C@@H]2C1 ZINC000193610041 509988305 /nfs/dbraw/zinc/98/83/05/509988305.db2.gz ZGWFAHVXRROWTO-BDTNDASRSA-N 2 2 363.505 2.580 10 0 FFAELP C[N@@H+]1C[C@@H]2C[NH+](CC(=O)N[C@@H](Cc3ccccc3)c3ccccc3)C[C@@H]2C1 ZINC000193610041 509988314 /nfs/dbraw/zinc/98/83/14/509988314.db2.gz ZGWFAHVXRROWTO-BDTNDASRSA-N 2 2 363.505 2.580 10 0 FFAELP C[NH+]1C[C@@H]2C[N@@H+](CC(=O)N[C@@H](Cc3ccccc3)c3ccccc3)C[C@@H]2C1 ZINC000193610041 509988322 /nfs/dbraw/zinc/98/83/22/509988322.db2.gz ZGWFAHVXRROWTO-BDTNDASRSA-N 2 2 363.505 2.580 10 0 FFAELP C[NH+]1C[C@@H]2C[N@H+](CC(=O)N[C@@H](Cc3ccccc3)c3ccccc3)C[C@@H]2C1 ZINC000193610041 509988333 /nfs/dbraw/zinc/98/83/33/509988333.db2.gz ZGWFAHVXRROWTO-BDTNDASRSA-N 2 2 363.505 2.580 10 0 FFAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2ccc3c(c2)OCO3)nc[nH+]1 ZINC000180575991 509994166 /nfs/dbraw/zinc/99/41/66/509994166.db2.gz GYHQVKDKUWPXKM-HIFRSBDPSA-N 2 2 355.442 2.567 10 0 FFAELP C[C@@H](CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)[N@H+](C)Cc1ccccc1 ZINC000177510420 510106312 /nfs/dbraw/zinc/10/63/12/510106312.db2.gz UIDVUQDWWOEUAV-PKOBYXMFSA-N 2 2 355.486 2.578 10 0 FFAELP C[C@@H](CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)[N@@H+](C)Cc1ccccc1 ZINC000177510420 510106317 /nfs/dbraw/zinc/10/63/17/510106317.db2.gz UIDVUQDWWOEUAV-PKOBYXMFSA-N 2 2 355.486 2.578 10 0 FFAELP C[C@H]1CC[N@H+](CCCCN2C(=O)c3ccccc3C2=O)C[C@H]1n1cc[nH+]c1 ZINC000245725620 510109383 /nfs/dbraw/zinc/10/93/83/510109383.db2.gz VGKJQHWGZSIONP-QFBILLFUSA-N 2 2 366.465 2.842 10 0 FFAELP C[C@H]1CC[N@@H+](CCCCN2C(=O)c3ccccc3C2=O)C[C@H]1n1cc[nH+]c1 ZINC000245725620 510109386 /nfs/dbraw/zinc/10/93/86/510109386.db2.gz VGKJQHWGZSIONP-QFBILLFUSA-N 2 2 366.465 2.842 10 0 FFAELP O=C([C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177794596 510256948 /nfs/dbraw/zinc/25/69/48/510256948.db2.gz CKRMHTOSMAYZQL-AZUAARDMSA-N 2 2 370.472 2.925 10 0 FFAELP O=C([C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177794596 510256956 /nfs/dbraw/zinc/25/69/56/510256956.db2.gz CKRMHTOSMAYZQL-AZUAARDMSA-N 2 2 370.472 2.925 10 0 FFAELP CC(=O)c1ccccc1NC(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171647067 510274582 /nfs/dbraw/zinc/27/45/82/510274582.db2.gz DRIOKICMWUEJQO-MRXNPFEDSA-N 2 2 352.438 2.657 10 0 FFAELP CC(=O)c1ccccc1NC(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171647067 510274587 /nfs/dbraw/zinc/27/45/87/510274587.db2.gz DRIOKICMWUEJQO-MRXNPFEDSA-N 2 2 352.438 2.657 10 0 FFAELP CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000177885128 510309663 /nfs/dbraw/zinc/30/96/63/510309663.db2.gz XUWSCHMVSGOZDB-DLBZAZTESA-N 2 2 355.486 2.917 10 0 FFAELP CC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000177885128 510309671 /nfs/dbraw/zinc/30/96/71/510309671.db2.gz XUWSCHMVSGOZDB-DLBZAZTESA-N 2 2 355.486 2.917 10 0 FFAELP C[C@@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246141997 510317875 /nfs/dbraw/zinc/31/78/75/510317875.db2.gz NXIMVZXPUBTMLU-HKUYNNGSSA-N 2 2 352.482 2.863 10 0 FFAELP CC(C)n1nccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246195411 510353729 /nfs/dbraw/zinc/35/37/29/510353729.db2.gz WYAGRYJIDZSOFK-HOTGVXAUSA-N 2 2 356.474 2.620 10 0 FFAELP CC(C)n1nccc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246195411 510353733 /nfs/dbraw/zinc/35/37/33/510353733.db2.gz WYAGRYJIDZSOFK-HOTGVXAUSA-N 2 2 356.474 2.620 10 0 FFAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC000246218526 510371196 /nfs/dbraw/zinc/37/11/96/510371196.db2.gz YLZRRYSBRKAZEK-YLJYHZDGSA-N 2 2 367.497 2.636 10 0 FFAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC000246218526 510371202 /nfs/dbraw/zinc/37/12/02/510371202.db2.gz YLZRRYSBRKAZEK-YLJYHZDGSA-N 2 2 367.497 2.636 10 0 FFAELP C[NH+]1CCN([C@@H]2CCCC[N@H+](Cc3csc(-c4ccccn4)n3)C2)CC1 ZINC000174897583 510373783 /nfs/dbraw/zinc/37/37/83/510373783.db2.gz IJIZPVHODSPNSR-GOSISDBHSA-N 2 2 371.554 2.807 10 0 FFAELP C[NH+]1CCN([C@@H]2CCCC[N@@H+](Cc3csc(-c4ccccn4)n3)C2)CC1 ZINC000174897583 510373786 /nfs/dbraw/zinc/37/37/86/510373786.db2.gz IJIZPVHODSPNSR-GOSISDBHSA-N 2 2 371.554 2.807 10 0 FFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000178335756 510552229 /nfs/dbraw/zinc/55/22/29/510552229.db2.gz ZRFGXMDCTKSAPA-HNNXBMFYSA-N 2 2 367.409 2.635 10 0 FFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000178335756 510552234 /nfs/dbraw/zinc/55/22/34/510552234.db2.gz ZRFGXMDCTKSAPA-HNNXBMFYSA-N 2 2 367.409 2.635 10 0 FFAELP Cc1[nH+]c2ccccc2n1CC(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000178544388 510656838 /nfs/dbraw/zinc/65/68/38/510656838.db2.gz LKEGJINTZCBUPX-UHFFFAOYSA-N 2 2 351.454 2.560 10 0 FFAELP C[C@@H]1CCCN(c2cc(N3CCC(Cc4[nH+]ccn4C)CC3)[nH+]cn2)C1 ZINC000178771395 510763119 /nfs/dbraw/zinc/76/31/19/510763119.db2.gz HILXDPXLNLFMGB-MRXNPFEDSA-N 2 2 354.502 2.906 10 0 FFAELP C[C@@H]1CCCN(c2cc(N3CCC(Cc4[nH+]ccn4C)CC3)nc[nH+]2)C1 ZINC000178771395 510763124 /nfs/dbraw/zinc/76/31/24/510763124.db2.gz HILXDPXLNLFMGB-MRXNPFEDSA-N 2 2 354.502 2.906 10 0 FFAELP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)Nc3ccc(N4CCCC4)cc3)CC[C@H]21 ZINC000247282701 510855430 /nfs/dbraw/zinc/85/54/30/510855430.db2.gz SXRATIFASMDLRJ-YLJYHZDGSA-N 2 2 356.514 2.641 10 0 FFAELP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)Nc3ccc(N4CCCC4)cc3)CC[C@H]21 ZINC000247282701 510855431 /nfs/dbraw/zinc/85/54/31/510855431.db2.gz SXRATIFASMDLRJ-YLJYHZDGSA-N 2 2 356.514 2.641 10 0 FFAELP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)Nc3ccc(N4CCCC4)cc3)CC[C@H]21 ZINC000247282701 510855432 /nfs/dbraw/zinc/85/54/32/510855432.db2.gz SXRATIFASMDLRJ-YLJYHZDGSA-N 2 2 356.514 2.641 10 0 FFAELP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)Nc3ccc(N4CCCC4)cc3)CC[C@H]21 ZINC000247282701 510855433 /nfs/dbraw/zinc/85/54/33/510855433.db2.gz SXRATIFASMDLRJ-YLJYHZDGSA-N 2 2 356.514 2.641 10 0 FFAELP CCn1cc[nH+]c1CN(Cc1nc2c(s1)CCC2)[C@@H]1CC12CC[NH2+]CC2 ZINC000328627015 511898210 /nfs/dbraw/zinc/89/82/10/511898210.db2.gz FQZUPDPPXBPCJM-QGZVFWFLSA-N 2 2 371.554 2.993 10 0 FFAELP Cc1ccc2[nH+]c(CSc3nnc(CC4CC[NH2+]CC4)n3C)cn2c1 ZINC000082125342 728407190 /nfs/dbraw/zinc/40/71/90/728407190.db2.gz UPYRKHHHXQXFNM-UHFFFAOYSA-N 2 2 356.499 2.606 10 0 FFAELP CC(C)[C@@H]1OCCC[C@H]1Nc1nc(NC[C@H]2CCCn3cc[nH+]c32)cc[nH+]1 ZINC000330149165 990817904 /nfs/dbraw/zinc/81/79/04/990817904.db2.gz VAGPANOATMRWOD-NUJGCVRESA-N 2 2 370.501 3.278 10 0 FFAELP CC(C)[C@@H]1OCCC[C@H]1Nc1cc[nH+]c(NC[C@H]2CCCn3cc[nH+]c32)n1 ZINC000333243918 1007422417 /nfs/dbraw/zinc/42/24/17/1007422417.db2.gz IYFPWPAYUXLLSI-NUJGCVRESA-N 2 2 370.501 3.278 10 0 FFAELP C[NH+]1CCN(Nc2[nH+]cnc(Nc3ccc(Cl)c(Cl)c3)c2N)CC1 ZINC000040704061 211753785 /nfs/dbraw/zinc/75/37/85/211753785.db2.gz YILPACXNZZXQKU-UHFFFAOYSA-N 2 2 368.272 2.684 10 0 FFAELP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NC[C@@H]2C[N@H+](C)CCO2)c1 ZINC000105282018 250207879 /nfs/dbraw/zinc/20/78/79/250207879.db2.gz RAXQFSNNZJOCLX-GOSISDBHSA-N 2 2 371.485 2.507 10 0 FFAELP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000105282018 250207882 /nfs/dbraw/zinc/20/78/82/250207882.db2.gz RAXQFSNNZJOCLX-GOSISDBHSA-N 2 2 371.485 2.507 10 0 FFAELP CCc1noc([C@H](C)N2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)n1 ZINC000106138683 250242781 /nfs/dbraw/zinc/24/27/81/250242781.db2.gz BKVROHGAMJAEJK-INIZCTEOSA-N 2 2 366.469 2.697 10 0 FFAELP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000106540145 250276449 /nfs/dbraw/zinc/27/64/49/250276449.db2.gz XDALFNAEENLKNN-ZWKOTPCHSA-N 2 2 355.486 2.819 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cc(=O)n3cc(Cl)ccc3n2)C1 ZINC000106215521 250256489 /nfs/dbraw/zinc/25/64/89/250256489.db2.gz DZDUTEJCSRLSIU-MRXNPFEDSA-N 2 2 371.872 2.944 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cc(=O)n3cc(Cl)ccc3n2)C1 ZINC000106215521 250256492 /nfs/dbraw/zinc/25/64/92/250256492.db2.gz DZDUTEJCSRLSIU-MRXNPFEDSA-N 2 2 371.872 2.944 10 0 FFAELP CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000301644740 258060289 /nfs/dbraw/zinc/06/02/89/258060289.db2.gz HMVBOYXYVIDAQD-MSOLQXFVSA-N 2 2 369.465 2.548 10 0 FFAELP CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000301644740 258060290 /nfs/dbraw/zinc/06/02/90/258060290.db2.gz HMVBOYXYVIDAQD-MSOLQXFVSA-N 2 2 369.465 2.548 10 0 FFAELP Cc1nn(C)c(C)c1C[NH+]1CCN(c2nc(C3CC3)[nH+]c3c2CCC3)CC1 ZINC000329104840 258129640 /nfs/dbraw/zinc/12/96/40/258129640.db2.gz DQGHSMSXYNQEHH-UHFFFAOYSA-N 2 2 366.513 2.515 10 0 FFAELP C[C@]1(F)C[NH2+]CCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000333180131 258254559 /nfs/dbraw/zinc/25/45/59/258254559.db2.gz RTUQLBNHBLHSHX-FQEVSTJZSA-N 2 2 369.444 2.767 10 0 FFAELP C[C@@H]1Cc2[nH+]cn(C[C@@H](O)Cn3c[nH+]c4c3C[C@H](C)[C@@H](C)C4)c2C[C@@H]1C ZINC000333263394 258259018 /nfs/dbraw/zinc/25/90/18/258259018.db2.gz BGPYCPQQJUZDNM-QEOTZNIISA-N 2 2 356.514 2.882 10 0 FFAELP C[C@H](c1nc(-c2cccnc2)no1)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000112981319 508236676 /nfs/dbraw/zinc/23/66/76/508236676.db2.gz OYQLNJPQGVQBSE-CQSZACIVSA-N 2 2 352.442 2.881 10 0 FFAELP COc1ccc([C@H](C)[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)cc1F ZINC000098143860 508237613 /nfs/dbraw/zinc/23/76/13/508237613.db2.gz IQJOXNORCKXFBL-KXBFYZLASA-N 2 2 358.457 2.904 10 0 FFAELP COc1ccc([C@H](C)[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)cc1F ZINC000098143860 508237615 /nfs/dbraw/zinc/23/76/15/508237615.db2.gz IQJOXNORCKXFBL-KXBFYZLASA-N 2 2 358.457 2.904 10 0 FFAELP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000106424045 508400579 /nfs/dbraw/zinc/40/05/79/508400579.db2.gz SYUNCUNFKJVDPM-NRFANRHFSA-N 2 2 351.494 2.504 10 0 FFAELP CC[N@H+](C)[C@H](C(=O)N1CCC(Cc2[nH+]ccn2C)CC1)c1ccccc1 ZINC000121945855 508454468 /nfs/dbraw/zinc/45/44/68/508454468.db2.gz DHUHXDJLJABAHQ-FQEVSTJZSA-N 2 2 354.498 2.894 10 0 FFAELP CC[N@@H+](C)[C@H](C(=O)N1CCC(Cc2[nH+]ccn2C)CC1)c1ccccc1 ZINC000121945855 508454471 /nfs/dbraw/zinc/45/44/71/508454471.db2.gz DHUHXDJLJABAHQ-FQEVSTJZSA-N 2 2 354.498 2.894 10 0 FFAELP C[C@@H](C(=O)N1CCC(Cc2[nH+]ccn2C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000121959750 508456910 /nfs/dbraw/zinc/45/69/10/508456910.db2.gz ZYBWJEJZCGQWCT-KRWDZBQOSA-N 2 2 366.509 2.648 10 0 FFAELP C[C@@H](C(=O)N1CCC(Cc2[nH+]ccn2C)CC1)[N@H+]1CCc2ccccc2C1 ZINC000121959750 508456913 /nfs/dbraw/zinc/45/69/13/508456913.db2.gz ZYBWJEJZCGQWCT-KRWDZBQOSA-N 2 2 366.509 2.648 10 0 FFAELP O=C(COc1ccccc1C[NH+]1CCC([NH+]2CCCC2)CC1)NCC1CC1 ZINC000127745750 508494737 /nfs/dbraw/zinc/49/47/37/508494737.db2.gz NVSYRCKDTBSPGC-UHFFFAOYSA-N 2 2 371.525 2.652 10 0 FFAELP C[C@H]1CC[C@H](NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c2ccccc21 ZINC000153103965 508548522 /nfs/dbraw/zinc/54/85/22/508548522.db2.gz PJVACDRKRYMBGL-JXFKEZNVSA-N 2 2 358.530 2.950 10 0 FFAELP CC(C)[N@H+]1C[C@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)[C@@H](C)C1 ZINC000158633892 508731930 /nfs/dbraw/zinc/73/19/30/508731930.db2.gz MPCSOLKNCROQTH-YOEHRIQHSA-N 2 2 359.449 2.539 10 0 FFAELP CC(C)[N@@H+]1C[C@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)[C@@H](C)C1 ZINC000158633892 508731933 /nfs/dbraw/zinc/73/19/33/508731933.db2.gz MPCSOLKNCROQTH-YOEHRIQHSA-N 2 2 359.449 2.539 10 0 FFAELP COc1ccc(OC)c(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000154540256 508805342 /nfs/dbraw/zinc/80/53/42/508805342.db2.gz QMIUHNUHFOJRKE-GOEBONIOSA-N 2 2 372.469 2.700 10 0 FFAELP O[C@H](COCc1ccccc1F)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000151100499 508956536 /nfs/dbraw/zinc/95/65/36/508956536.db2.gz RBCVVHLNQHKTKN-AEFFLSMTSA-N 2 2 359.445 2.532 10 0 FFAELP O[C@H](COCc1ccccc1F)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000151100499 508956540 /nfs/dbraw/zinc/95/65/40/508956540.db2.gz RBCVVHLNQHKTKN-AEFFLSMTSA-N 2 2 359.445 2.532 10 0 FFAELP O[C@H](COc1ccccc1Cl)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000151104289 508957464 /nfs/dbraw/zinc/95/74/64/508957464.db2.gz QEYDDEISFRATJJ-CVEARBPZSA-N 2 2 361.873 2.909 10 0 FFAELP O[C@H](COc1ccccc1Cl)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000151104289 508957466 /nfs/dbraw/zinc/95/74/66/508957466.db2.gz QEYDDEISFRATJJ-CVEARBPZSA-N 2 2 361.873 2.909 10 0 FFAELP COc1ccc([C@H](C)[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)c(OC)c1 ZINC000151800779 509086044 /nfs/dbraw/zinc/08/60/44/509086044.db2.gz PULBIUPPQSVWCN-LPHOPBHVSA-N 2 2 370.493 2.774 10 0 FFAELP COc1ccc([C@H](C)[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)c(OC)c1 ZINC000151800779 509086047 /nfs/dbraw/zinc/08/60/47/509086047.db2.gz PULBIUPPQSVWCN-LPHOPBHVSA-N 2 2 370.493 2.774 10 0 FFAELP O=C1O[C@H](C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CN1c1ccccc1 ZINC000172770988 509225959 /nfs/dbraw/zinc/22/59/59/509225959.db2.gz MTUDLHKDPQAVGT-SJLPKXTDSA-N 2 2 352.438 2.841 10 0 FFAELP O=C1O[C@H](C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CN1c1ccccc1 ZINC000172770988 509225961 /nfs/dbraw/zinc/22/59/61/509225961.db2.gz MTUDLHKDPQAVGT-SJLPKXTDSA-N 2 2 352.438 2.841 10 0 FFAELP c1ccc(C[N@H+]2CCC[C@@H]3CN(CCC[NH+]4CCOCC4)CC[C@H]32)cc1 ZINC000248132611 509243413 /nfs/dbraw/zinc/24/34/13/509243413.db2.gz OQHYZOFCJSBOCN-FGZHOGPDSA-N 2 2 357.542 2.695 10 0 FFAELP c1ccc(C[N@@H+]2CCC[C@@H]3CN(CCC[NH+]4CCOCC4)CC[C@H]32)cc1 ZINC000248132611 509243418 /nfs/dbraw/zinc/24/34/18/509243418.db2.gz OQHYZOFCJSBOCN-FGZHOGPDSA-N 2 2 357.542 2.695 10 0 FFAELP CCCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000248638418 509408966 /nfs/dbraw/zinc/40/89/66/509408966.db2.gz AVLVUPWFEIUWLL-SJORKVTESA-N 2 2 366.575 2.900 10 0 FFAELP CCCCCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000248638418 509408974 /nfs/dbraw/zinc/40/89/74/509408974.db2.gz AVLVUPWFEIUWLL-SJORKVTESA-N 2 2 366.575 2.900 10 0 FFAELP CCCCCNC(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000248638418 509408983 /nfs/dbraw/zinc/40/89/83/509408983.db2.gz AVLVUPWFEIUWLL-SJORKVTESA-N 2 2 366.575 2.900 10 0 FFAELP CCCCCNC(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000248638418 509408993 /nfs/dbraw/zinc/40/89/93/509408993.db2.gz AVLVUPWFEIUWLL-SJORKVTESA-N 2 2 366.575 2.900 10 0 FFAELP C[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C3CC3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000248727059 509454229 /nfs/dbraw/zinc/45/42/29/509454229.db2.gz JDJGZYFFLXATLO-RTBURBONSA-N 2 2 363.452 2.701 10 0 FFAELP C[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C3CC3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000248727059 509454239 /nfs/dbraw/zinc/45/42/39/509454239.db2.gz JDJGZYFFLXATLO-RTBURBONSA-N 2 2 363.452 2.701 10 0 FFAELP CCN(C(=O)[C@H]1CCCn2cc[nH+]c21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000248737235 509459796 /nfs/dbraw/zinc/45/97/96/509459796.db2.gz PEGGQHQMDRSHOJ-OALUTQOASA-N 2 2 352.482 2.884 10 0 FFAELP CCN(C(=O)[C@H]1CCCn2cc[nH+]c21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000248737235 509459804 /nfs/dbraw/zinc/45/98/04/509459804.db2.gz PEGGQHQMDRSHOJ-OALUTQOASA-N 2 2 352.482 2.884 10 0 FFAELP Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)c1C ZINC000182910257 509490932 /nfs/dbraw/zinc/49/09/32/509490932.db2.gz BRCPRMWBQRJXSG-UXHICEINSA-N 2 2 372.557 2.732 10 0 FFAELP Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)c1C ZINC000182910257 509490941 /nfs/dbraw/zinc/49/09/41/509490941.db2.gz BRCPRMWBQRJXSG-UXHICEINSA-N 2 2 372.557 2.732 10 0 FFAELP C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000248979061 509560875 /nfs/dbraw/zinc/56/08/75/509560875.db2.gz UWRWLMJJQKDEJN-HOTGVXAUSA-N 2 2 359.495 2.980 10 0 FFAELP C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000248979061 509560879 /nfs/dbraw/zinc/56/08/79/509560879.db2.gz UWRWLMJJQKDEJN-HOTGVXAUSA-N 2 2 359.495 2.980 10 0 FFAELP C[C@@H]1C[N@@H+](C2CC[NH+](Cc3cn(C)nc3-c3ccccc3)CC2)CCO1 ZINC000179785388 509621059 /nfs/dbraw/zinc/62/10/59/509621059.db2.gz WMBXJSVCZIQWNQ-QGZVFWFLSA-N 2 2 354.498 2.772 10 0 FFAELP C[C@@H]1C[N@H+](C2CC[NH+](Cc3cn(C)nc3-c3ccccc3)CC2)CCO1 ZINC000179785388 509621063 /nfs/dbraw/zinc/62/10/63/509621063.db2.gz WMBXJSVCZIQWNQ-QGZVFWFLSA-N 2 2 354.498 2.772 10 0 FFAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](c2ncc[nH]2)c2ccccc2)nc[nH+]1 ZINC000249206399 509634775 /nfs/dbraw/zinc/63/47/75/509634775.db2.gz WABFGXJWSYADRG-VQIMIIECSA-N 2 2 363.469 2.589 10 0 FFAELP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)C12CCOCC2 ZINC000186342656 509658977 /nfs/dbraw/zinc/65/89/77/509658977.db2.gz ZOMNEWDQMFCXCL-FYZZASKESA-N 2 2 373.541 2.856 10 0 FFAELP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)C12CCOCC2 ZINC000186342656 509658978 /nfs/dbraw/zinc/65/89/78/509658978.db2.gz ZOMNEWDQMFCXCL-FYZZASKESA-N 2 2 373.541 2.856 10 0 FFAELP Cc1ccc(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c(OCC[NH+](C)C)c1 ZINC000180489161 509950965 /nfs/dbraw/zinc/95/09/65/509950965.db2.gz OGVPTFNJLASXJA-QGZVFWFLSA-N 2 2 371.485 2.828 10 0 FFAELP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)N3CC[NH+]4CCC[C@H]4C3)c2C1 ZINC000246060661 510270831 /nfs/dbraw/zinc/27/08/31/510270831.db2.gz YSDMXJFAXFVRCH-INIZCTEOSA-N 2 2 364.493 2.533 10 0 FFAELP CC[N@H+]1CCc2nc3ccccc3c(C(=O)N3CC[NH+]4CCC[C@H]4C3)c2C1 ZINC000246060661 510270836 /nfs/dbraw/zinc/27/08/36/510270836.db2.gz YSDMXJFAXFVRCH-INIZCTEOSA-N 2 2 364.493 2.533 10 0 FFAELP CC[NH+]1CCc2nc3ccccc3c(C(=O)N3CC[N@@H+]4CCC[C@H]4C3)c2C1 ZINC000246060661 510270842 /nfs/dbraw/zinc/27/08/42/510270842.db2.gz YSDMXJFAXFVRCH-INIZCTEOSA-N 2 2 364.493 2.533 10 0 FFAELP CC[NH+]1CCc2nc3ccccc3c(C(=O)N3CC[N@H+]4CCC[C@H]4C3)c2C1 ZINC000246060661 510270846 /nfs/dbraw/zinc/27/08/46/510270846.db2.gz YSDMXJFAXFVRCH-INIZCTEOSA-N 2 2 364.493 2.533 10 0 FFAELP O=c1cc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)nc2ccc(Cl)cn12 ZINC000171645125 510274237 /nfs/dbraw/zinc/27/42/37/510274237.db2.gz KYAMJKLSCYXGRE-CQSZACIVSA-N 2 2 369.856 2.677 10 0 FFAELP O=c1cc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)nc2ccc(Cl)cn12 ZINC000171645125 510274240 /nfs/dbraw/zinc/27/42/40/510274240.db2.gz KYAMJKLSCYXGRE-CQSZACIVSA-N 2 2 369.856 2.677 10 0 FFAELP C[C@H](C(=O)N1CCc2ccccc21)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171646414 510275534 /nfs/dbraw/zinc/27/55/34/510275534.db2.gz SKSVARAWSXDGGD-IAGOWNOFSA-N 2 2 350.466 2.793 10 0 FFAELP C[C@H](C(=O)N1CCc2ccccc21)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171646414 510275545 /nfs/dbraw/zinc/27/55/45/510275545.db2.gz SKSVARAWSXDGGD-IAGOWNOFSA-N 2 2 350.466 2.793 10 0 FFAELP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)NCc3ccccc3F)C2)[nH+]1 ZINC000171651581 510281636 /nfs/dbraw/zinc/28/16/36/510281636.db2.gz WBKVJALCCDWPKV-MRXNPFEDSA-N 2 2 356.445 2.579 10 0 FFAELP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)NCc3ccccc3F)C2)[nH+]1 ZINC000171651581 510281649 /nfs/dbraw/zinc/28/16/49/510281649.db2.gz WBKVJALCCDWPKV-MRXNPFEDSA-N 2 2 356.445 2.579 10 0 FFAELP CC(=O)c1ccc(NC(=O)C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)cc1 ZINC000171653274 510283867 /nfs/dbraw/zinc/28/38/67/510283867.db2.gz QAVNQSRCWLFHTM-QGZVFWFLSA-N 2 2 366.465 2.965 10 0 FFAELP CC(=O)c1ccc(NC(=O)C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)cc1 ZINC000171653274 510283873 /nfs/dbraw/zinc/28/38/73/510283873.db2.gz QAVNQSRCWLFHTM-QGZVFWFLSA-N 2 2 366.465 2.965 10 0 FFAELP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@H](C)c3nnnn3-c3ccccc3)C2)[nH+]1 ZINC000246213762 510367248 /nfs/dbraw/zinc/36/72/48/510367248.db2.gz ZMFPKPATVZJFNQ-SJORKVTESA-N 2 2 363.469 2.861 10 0 FFAELP Cc1cccc(NC[C@@H]2CC[N@H+]([C@H](C)c3nnnn3-c3ccccc3)C2)[nH+]1 ZINC000246213762 510367256 /nfs/dbraw/zinc/36/72/56/510367256.db2.gz ZMFPKPATVZJFNQ-SJORKVTESA-N 2 2 363.469 2.861 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)N1CCSc2ccccc21 ZINC000178333592 510551358 /nfs/dbraw/zinc/55/13/58/510551358.db2.gz XGIPIQCBIFZWPC-MRXNPFEDSA-N 2 2 356.495 2.795 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)N1CCSc2ccccc21 ZINC000178333592 510551365 /nfs/dbraw/zinc/55/13/65/510551365.db2.gz XGIPIQCBIFZWPC-MRXNPFEDSA-N 2 2 356.495 2.795 10 0 FFAELP Cn1c2ccc(C[N@@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)cc2sc1=O ZINC000195001274 510626144 /nfs/dbraw/zinc/62/61/44/510626144.db2.gz XSNDWVCZNFGAJJ-HNNXBMFYSA-N 2 2 354.479 2.929 10 0 FFAELP Cn1c2ccc(C[N@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)cc2sc1=O ZINC000195001274 510626149 /nfs/dbraw/zinc/62/61/49/510626149.db2.gz XSNDWVCZNFGAJJ-HNNXBMFYSA-N 2 2 354.479 2.929 10 0 FFAELP Cc1ccc2c(c1)[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)[C@@H](C)C2 ZINC000181947470 510673995 /nfs/dbraw/zinc/67/39/95/510673995.db2.gz KOAZWKONPDFZLV-LAUBAEHRSA-N 2 2 372.557 2.896 10 0 FFAELP Cc1ccc2c(c1)[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)[C@@H](C)C2 ZINC000181947470 510674004 /nfs/dbraw/zinc/67/40/04/510674004.db2.gz KOAZWKONPDFZLV-LAUBAEHRSA-N 2 2 372.557 2.896 10 0 FFAELP CCOC(=O)c1csc(CC[NH2+]C2CC[NH+](Cc3cccnc3)CC2)n1 ZINC000191564704 510724115 /nfs/dbraw/zinc/72/41/15/510724115.db2.gz ISOOSXKIMQUPQE-UHFFFAOYSA-N 2 2 374.510 2.512 10 0 FFAELP C[C@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1ccc(F)c(Cl)c1 ZINC000175678199 510727992 /nfs/dbraw/zinc/72/79/92/510727992.db2.gz PKVDPDAYABCCMW-ZDUSSCGKSA-N 2 2 370.900 2.865 10 0 FFAELP CCn1cc[nH+]c1CN(Cc1nc2c(s1)CCC2)[C@H]1CC12CC[NH2+]CC2 ZINC000328627014 511898446 /nfs/dbraw/zinc/89/84/46/511898446.db2.gz FQZUPDPPXBPCJM-KRWDZBQOSA-N 2 2 371.554 2.993 10 0 FFAELP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1cc(Br)ccc1O ZINC000185114581 729341561 /nfs/dbraw/zinc/34/15/61/729341561.db2.gz OLRIQTQTQUXKMV-JSGCOSHPSA-N 2 2 357.292 2.652 10 0 FFAELP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2cn3ccccc3n2)[C@@H]1c1cnn(C)c1 ZINC000328640708 210122146 /nfs/dbraw/zinc/12/21/46/210122146.db2.gz QBYBBJGBDFZQPL-LAUBAEHRSA-N 2 2 366.513 2.973 10 0 FFAELP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2cn3ccccc3n2)[C@@H]1c1cnn(C)c1 ZINC000328640708 210122150 /nfs/dbraw/zinc/12/21/50/210122150.db2.gz QBYBBJGBDFZQPL-LAUBAEHRSA-N 2 2 366.513 2.973 10 0 FFAELP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2cn3ccccc3n2)[C@@H]1c1cnn(C)c1 ZINC000328640708 210122154 /nfs/dbraw/zinc/12/21/54/210122154.db2.gz QBYBBJGBDFZQPL-LAUBAEHRSA-N 2 2 366.513 2.973 10 0 FFAELP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2cn3ccccc3n2)[C@@H]1c1cnn(C)c1 ZINC000328640708 210122158 /nfs/dbraw/zinc/12/21/58/210122158.db2.gz QBYBBJGBDFZQPL-LAUBAEHRSA-N 2 2 366.513 2.973 10 0 FFAELP COc1cc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc2c1OCCO2 ZINC000092812561 250002829 /nfs/dbraw/zinc/00/28/29/250002829.db2.gz CYYHRMPUXQYVSO-HNNXBMFYSA-N 2 2 355.438 2.795 10 0 FFAELP COc1cc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc2c1OCCO2 ZINC000092812561 250002833 /nfs/dbraw/zinc/00/28/33/250002833.db2.gz CYYHRMPUXQYVSO-HNNXBMFYSA-N 2 2 355.438 2.795 10 0 FFAELP COc1ccc(OCCC[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1 ZINC000106130124 250241464 /nfs/dbraw/zinc/24/14/64/250241464.db2.gz MIYCOOXVGNXMKJ-UHFFFAOYSA-N 2 2 372.513 2.757 10 0 FFAELP COc1ccc(OCCC[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1 ZINC000106130124 250241468 /nfs/dbraw/zinc/24/14/68/250241468.db2.gz MIYCOOXVGNXMKJ-UHFFFAOYSA-N 2 2 372.513 2.757 10 0 FFAELP Cn1cc[nH+]c1CC1CC[NH+](CC(=O)N2CCSc3ccccc32)CC1 ZINC000106165510 250245395 /nfs/dbraw/zinc/24/53/95/250245395.db2.gz MMPCTOKHFCWSNP-UHFFFAOYSA-N 2 2 370.522 2.814 10 0 FFAELP CCOc1cccc(CNC(=O)C[N@@H+]2CCC[C@H](n3cc[nH+]c3CC)C2)c1 ZINC000106212835 250255320 /nfs/dbraw/zinc/25/53/20/250255320.db2.gz MGYALNDOZBMUBM-SFHVURJKSA-N 2 2 370.497 2.798 10 0 FFAELP CCOc1cccc(CNC(=O)C[N@H+]2CCC[C@H](n3cc[nH+]c3CC)C2)c1 ZINC000106212835 250255323 /nfs/dbraw/zinc/25/53/23/250255323.db2.gz MGYALNDOZBMUBM-SFHVURJKSA-N 2 2 370.497 2.798 10 0 FFAELP Cc1cccc(N2CCC(NC(=O)NCCCNc3cccc[nH+]3)CC2)[nH+]1 ZINC000116970619 250328069 /nfs/dbraw/zinc/32/80/69/250328069.db2.gz NGOMKUSHRHRLAI-UHFFFAOYSA-N 2 2 368.485 2.555 10 0 FFAELP C[C@@H](CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000106905048 507827178 /nfs/dbraw/zinc/82/71/78/507827178.db2.gz UECWAMVDBQXADP-AVRDEDQJSA-N 2 2 365.521 2.722 10 0 FFAELP C[C@@H](CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000106905048 507827179 /nfs/dbraw/zinc/82/71/79/507827179.db2.gz UECWAMVDBQXADP-AVRDEDQJSA-N 2 2 365.521 2.722 10 0 FFAELP C[C@@H](CNC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C[NH+]1CCCC1 ZINC000073774277 507954109 /nfs/dbraw/zinc/95/41/09/507954109.db2.gz LXHZMXRVCMMGCU-IRXDYDNUSA-N 2 2 355.486 2.964 10 0 FFAELP C[C@@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1nc2ccccc2n1C ZINC000091284209 507979206 /nfs/dbraw/zinc/97/92/06/507979206.db2.gz HJMFBXAMSCBWRY-APWZRJJASA-N 2 2 364.493 2.643 10 0 FFAELP C[C@@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1nc2ccccc2n1C ZINC000091284209 507979208 /nfs/dbraw/zinc/97/92/08/507979208.db2.gz HJMFBXAMSCBWRY-APWZRJJASA-N 2 2 364.493 2.643 10 0 FFAELP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)NC[C@@H](C)C[NH+]1CCCCC1)C2 ZINC000112745112 508219283 /nfs/dbraw/zinc/21/92/83/508219283.db2.gz AAECKKMDPYLAQP-MRXNPFEDSA-N 2 2 361.534 2.733 10 0 FFAELP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)NC1CC[NH+](C(C)(C)C)CC1)C2 ZINC000112745060 508219327 /nfs/dbraw/zinc/21/93/27/508219327.db2.gz NMSAMXQMDILXLM-UHFFFAOYSA-N 2 2 361.534 2.874 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)N(C)Cc2ccc(OC)cc2)C1 ZINC000114720549 508341684 /nfs/dbraw/zinc/34/16/84/508341684.db2.gz LHYRMVQNOFBLFO-SFHVURJKSA-N 2 2 370.497 2.750 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)N(C)Cc2ccc(OC)cc2)C1 ZINC000114720549 508341686 /nfs/dbraw/zinc/34/16/86/508341686.db2.gz LHYRMVQNOFBLFO-SFHVURJKSA-N 2 2 370.497 2.750 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NCCCNc2cccc[nH+]2)C1 ZINC000152266789 508412237 /nfs/dbraw/zinc/41/22/37/508412237.db2.gz LDMNTFWJMSNBNV-MRXNPFEDSA-N 2 2 356.474 2.689 10 0 FFAELP CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000115796829 508439151 /nfs/dbraw/zinc/43/91/51/508439151.db2.gz FFUHZNQGLAJDOM-BBRMVZONSA-N 2 2 356.461 2.597 10 0 FFAELP CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)C1 ZINC000134070260 508488881 /nfs/dbraw/zinc/48/88/81/508488881.db2.gz UCIWGEJDNOLCAZ-YSIASYRMSA-N 2 2 367.497 2.895 10 0 FFAELP CC[N@H+]1CCC[C@H](NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)C1 ZINC000134070260 508488885 /nfs/dbraw/zinc/48/88/85/508488885.db2.gz UCIWGEJDNOLCAZ-YSIASYRMSA-N 2 2 367.497 2.895 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2c(C)nn(CCC(=O)OC)c2C)C1 ZINC000122890678 508602631 /nfs/dbraw/zinc/60/26/31/508602631.db2.gz SQVPXSBPVISLRX-QGZVFWFLSA-N 2 2 373.501 2.659 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2c(C)nn(CCC(=O)OC)c2C)C1 ZINC000122890678 508602636 /nfs/dbraw/zinc/60/26/36/508602636.db2.gz SQVPXSBPVISLRX-QGZVFWFLSA-N 2 2 373.501 2.659 10 0 FFAELP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(c3cccnn3)C2)C[N@@H+]1Cc1ccccc1 ZINC000119330780 508774987 /nfs/dbraw/zinc/77/49/87/508774987.db2.gz IFHOJZLWESJPNV-RLLQIKCJSA-N 2 2 351.498 2.698 10 0 FFAELP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(c3cccnn3)C2)C[N@H+]1Cc1ccccc1 ZINC000119330780 508774992 /nfs/dbraw/zinc/77/49/92/508774992.db2.gz IFHOJZLWESJPNV-RLLQIKCJSA-N 2 2 351.498 2.698 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@H](O)COCc2ccccc2OC)C1 ZINC000155226293 508952456 /nfs/dbraw/zinc/95/24/56/508952456.db2.gz DRQQARMBRXTPLC-MOPGFXCFSA-N 2 2 373.497 2.669 10 0 FFAELP COCc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000125313140 508963882 /nfs/dbraw/zinc/96/38/82/508963882.db2.gz JHJOZQIQNFHQQT-RHSMWYFYSA-N 2 2 352.442 2.796 10 0 FFAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)NCCC(C)C)C1 ZINC000248637301 509405565 /nfs/dbraw/zinc/40/55/65/509405565.db2.gz ACRJLCRDEWBWNR-SJORKVTESA-N 2 2 366.575 2.756 10 0 FFAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)NCCC(C)C)C1 ZINC000248637301 509405574 /nfs/dbraw/zinc/40/55/74/509405574.db2.gz ACRJLCRDEWBWNR-SJORKVTESA-N 2 2 366.575 2.756 10 0 FFAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)NCCC(C)C)C1 ZINC000248637301 509405581 /nfs/dbraw/zinc/40/55/81/509405581.db2.gz ACRJLCRDEWBWNR-SJORKVTESA-N 2 2 366.575 2.756 10 0 FFAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)NCCC(C)C)C1 ZINC000248637301 509405591 /nfs/dbraw/zinc/40/55/91/509405591.db2.gz ACRJLCRDEWBWNR-SJORKVTESA-N 2 2 366.575 2.756 10 0 FFAELP C[C@H](NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182850867 509458793 /nfs/dbraw/zinc/45/87/93/509458793.db2.gz BYVQDYZBRMKDDT-YQVWRLOYSA-N 2 2 359.518 2.710 10 0 FFAELP C[C@H](NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182850867 509458801 /nfs/dbraw/zinc/45/88/01/509458801.db2.gz BYVQDYZBRMKDDT-YQVWRLOYSA-N 2 2 359.518 2.710 10 0 FFAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2ccc(OC)c(OC)c2)nc[nH+]1 ZINC000173395966 509571382 /nfs/dbraw/zinc/57/13/82/509571382.db2.gz SRLNAAPXHRCSLL-HOCLYGCPSA-N 2 2 371.485 2.855 10 0 FFAELP CCOc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](n3cc[nH+]c3CC)C2)cc1 ZINC000252353339 509834244 /nfs/dbraw/zinc/83/42/44/509834244.db2.gz WUESIKDSJJWQJW-ZWKOTPCHSA-N 2 2 373.497 2.921 10 0 FFAELP CCOc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](n3cc[nH+]c3CC)C2)cc1 ZINC000252353339 509834249 /nfs/dbraw/zinc/83/42/49/509834249.db2.gz WUESIKDSJJWQJW-ZWKOTPCHSA-N 2 2 373.497 2.921 10 0 FFAELP CCc1ccc(NC(=O)[C@H](C)[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)cc1 ZINC000245415477 509917434 /nfs/dbraw/zinc/91/74/34/509917434.db2.gz DHWIVLIUOBRQNY-GHTZIAJQSA-N 2 2 372.557 2.678 10 0 FFAELP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000177221920 509945419 /nfs/dbraw/zinc/94/54/19/509945419.db2.gz UWBNUWOGELBLDI-JXFKEZNVSA-N 2 2 352.482 2.629 10 0 FFAELP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000177221920 509945429 /nfs/dbraw/zinc/94/54/29/509945429.db2.gz UWBNUWOGELBLDI-JXFKEZNVSA-N 2 2 352.482 2.629 10 0 FFAELP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000245463831 509952132 /nfs/dbraw/zinc/95/21/32/509952132.db2.gz HJLKBMXRICLOFJ-RHSMWYFYSA-N 2 2 368.472 2.693 10 0 FFAELP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000245463831 509952138 /nfs/dbraw/zinc/95/21/38/509952138.db2.gz HJLKBMXRICLOFJ-RHSMWYFYSA-N 2 2 368.472 2.693 10 0 FFAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)Cc2ccccc2OC)nc[nH+]1 ZINC000180573707 509992107 /nfs/dbraw/zinc/99/21/07/509992107.db2.gz QIAISPBBQNSFJK-RDJZCZTQSA-N 2 2 355.486 2.717 10 0 FFAELP C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193644516 510002566 /nfs/dbraw/zinc/00/25/66/510002566.db2.gz DUIRKVGHOYMKKJ-DZFGPLHGSA-N 2 2 363.505 2.774 10 0 FFAELP C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193644516 510002574 /nfs/dbraw/zinc/00/25/74/510002574.db2.gz DUIRKVGHOYMKKJ-DZFGPLHGSA-N 2 2 363.505 2.774 10 0 FFAELP C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193644516 510002581 /nfs/dbraw/zinc/00/25/81/510002581.db2.gz DUIRKVGHOYMKKJ-DZFGPLHGSA-N 2 2 363.505 2.774 10 0 FFAELP C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193644516 510002592 /nfs/dbraw/zinc/00/25/92/510002592.db2.gz DUIRKVGHOYMKKJ-DZFGPLHGSA-N 2 2 363.505 2.774 10 0 FFAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2ccc(-n3ccnc3)nc2)C1 ZINC000190479238 510154209 /nfs/dbraw/zinc/15/42/09/510154209.db2.gz OPUQXSABUSHCOW-HXUWFJFHSA-N 2 2 362.481 2.616 10 0 FFAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2ccc(-n3ccnc3)nc2)C1 ZINC000190479238 510154216 /nfs/dbraw/zinc/15/42/16/510154216.db2.gz OPUQXSABUSHCOW-HXUWFJFHSA-N 2 2 362.481 2.616 10 0 FFAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](Cc2ccc(-n3ccnc3)nc2)C1 ZINC000190479238 510154222 /nfs/dbraw/zinc/15/42/22/510154222.db2.gz OPUQXSABUSHCOW-HXUWFJFHSA-N 2 2 362.481 2.616 10 0 FFAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](Cc2ccc(-n3ccnc3)nc2)C1 ZINC000190479238 510154228 /nfs/dbraw/zinc/15/42/28/510154228.db2.gz OPUQXSABUSHCOW-HXUWFJFHSA-N 2 2 362.481 2.616 10 0 FFAELP Cc1ccccc1[C@H]1C[C@@H]1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000245955225 510227237 /nfs/dbraw/zinc/22/72/37/510227237.db2.gz WJUUMGYPXAOIRK-JLKUDJSFSA-N 2 2 367.537 2.868 10 0 FFAELP Cc1ccccc1[C@H]1C[C@@H]1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000245955225 510227248 /nfs/dbraw/zinc/22/72/48/510227248.db2.gz WJUUMGYPXAOIRK-JLKUDJSFSA-N 2 2 367.537 2.868 10 0 FFAELP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCCN(c3cccc[nH+]3)CC2)C1 ZINC000184301497 510247947 /nfs/dbraw/zinc/24/79/47/510247947.db2.gz RUTYNSGMGQXEKH-LJQANCHMSA-N 2 2 373.545 2.671 10 0 FFAELP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCCN(c3cccc[nH+]3)CC2)C1 ZINC000184301497 510247952 /nfs/dbraw/zinc/24/79/52/510247952.db2.gz RUTYNSGMGQXEKH-LJQANCHMSA-N 2 2 373.545 2.671 10 0 FFAELP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000181068332 510266386 /nfs/dbraw/zinc/26/63/86/510266386.db2.gz YLRLBSSKEZZLSR-KRWDZBQOSA-N 2 2 355.486 2.750 10 0 FFAELP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000181068332 510266391 /nfs/dbraw/zinc/26/63/91/510266391.db2.gz YLRLBSSKEZZLSR-KRWDZBQOSA-N 2 2 355.486 2.750 10 0 FFAELP Cc1cc(NC(=O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)n(C(C)(C)C)n1 ZINC000171641105 510268903 /nfs/dbraw/zinc/26/89/03/510268903.db2.gz DCZXCXJQGOMTNN-MRXNPFEDSA-N 2 2 370.501 2.714 10 0 FFAELP Cc1cc(NC(=O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)n(C(C)(C)C)n1 ZINC000171641105 510268913 /nfs/dbraw/zinc/26/89/13/510268913.db2.gz DCZXCXJQGOMTNN-MRXNPFEDSA-N 2 2 370.501 2.714 10 0 FFAELP CC(C)n1nccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171645866 510274135 /nfs/dbraw/zinc/27/41/35/510274135.db2.gz WYAGRYJIDZSOFK-HZPDHXFCSA-N 2 2 356.474 2.620 10 0 FFAELP CC(C)n1nccc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171645866 510274142 /nfs/dbraw/zinc/27/41/42/510274142.db2.gz WYAGRYJIDZSOFK-HZPDHXFCSA-N 2 2 356.474 2.620 10 0 FFAELP O=C(C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)NCCc1ccc(Cl)cc1 ZINC000171647370 510277971 /nfs/dbraw/zinc/27/79/71/510277971.db2.gz BOOVFEYFSCFCBZ-QGZVFWFLSA-N 2 2 372.900 2.828 10 0 FFAELP O=C(C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)NCCc1ccc(Cl)cc1 ZINC000171647370 510277977 /nfs/dbraw/zinc/27/79/77/510277977.db2.gz BOOVFEYFSCFCBZ-QGZVFWFLSA-N 2 2 372.900 2.828 10 0 FFAELP O=C(C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)NCc1ccc(Cl)cc1 ZINC000171648103 510278234 /nfs/dbraw/zinc/27/82/34/510278234.db2.gz SIYFLQIRSSVNDN-MRXNPFEDSA-N 2 2 358.873 2.785 10 0 FFAELP O=C(C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)NCc1ccc(Cl)cc1 ZINC000171648103 510278236 /nfs/dbraw/zinc/27/82/36/510278236.db2.gz SIYFLQIRSSVNDN-MRXNPFEDSA-N 2 2 358.873 2.785 10 0 FFAELP C[C@@H]1C[C@@H](C)C[NH+](CCCCNc2cc(N3CCC[C@H]3CO)[nH+]cn2)C1 ZINC000246171605 510337040 /nfs/dbraw/zinc/33/70/40/510337040.db2.gz OLSXPGIKQRSPHB-KURKYZTESA-N 2 2 361.534 2.608 10 0 FFAELP C[C@@H]1C[C@@H](C)C[NH+](CCCCNc2cc(N3CCC[C@H]3CO)nc[nH+]2)C1 ZINC000246171605 510337044 /nfs/dbraw/zinc/33/70/44/510337044.db2.gz OLSXPGIKQRSPHB-KURKYZTESA-N 2 2 361.534 2.608 10 0 FFAELP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCN(c3cccnn3)C2)C1 ZINC000246241937 510385067 /nfs/dbraw/zinc/38/50/67/510385067.db2.gz OCKYLCMAMQYMNA-MISYRCLQSA-N 2 2 351.498 2.871 10 0 FFAELP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCN(c3cccnn3)C2)C1 ZINC000246241937 510385073 /nfs/dbraw/zinc/38/50/73/510385073.db2.gz OCKYLCMAMQYMNA-MISYRCLQSA-N 2 2 351.498 2.871 10 0 FFAELP C[C@H](c1ccc(S(C)(=O)=O)cc1)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000187683758 510385365 /nfs/dbraw/zinc/38/53/65/510385365.db2.gz XMBAJLSJADNBQG-OAHLLOKOSA-N 2 2 361.511 2.839 10 0 FFAELP C[C@@H]1C[C@H](NC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)C[N@@H+]1Cc1ccccc1 ZINC000246445919 510491962 /nfs/dbraw/zinc/49/19/62/510491962.db2.gz DTQZNSTUHRUVIA-HOJAQTOUSA-N 2 2 367.497 2.720 10 0 FFAELP C[C@@H]1C[C@H](NC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)C[N@H+]1Cc1ccccc1 ZINC000246445919 510491966 /nfs/dbraw/zinc/49/19/66/510491966.db2.gz DTQZNSTUHRUVIA-HOJAQTOUSA-N 2 2 367.497 2.720 10 0 FFAELP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)C1 ZINC000246796354 510678840 /nfs/dbraw/zinc/67/88/40/510678840.db2.gz CWTQQPOSESCMHT-IEBWSBKVSA-N 2 2 373.545 2.990 10 0 FFAELP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)C1 ZINC000246796354 510678848 /nfs/dbraw/zinc/67/88/48/510678848.db2.gz CWTQQPOSESCMHT-IEBWSBKVSA-N 2 2 373.545 2.990 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NC[C@@H](C)Cn2cc[nH+]c2C)C1 ZINC000172457647 510735970 /nfs/dbraw/zinc/73/59/70/510735970.db2.gz ONMQCRIJINPZRR-NVXWUHKLSA-N 2 2 358.490 2.633 10 0 FFAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)Cc2ccccc2)C1 ZINC000195262825 510744519 /nfs/dbraw/zinc/74/45/19/510744519.db2.gz VBFYICQMSFHQBQ-RBUKOAKNSA-N 2 2 359.539 2.809 10 0 FFAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)Cc2ccccc2)C1 ZINC000195262825 510744525 /nfs/dbraw/zinc/74/45/25/510744525.db2.gz VBFYICQMSFHQBQ-RBUKOAKNSA-N 2 2 359.539 2.809 10 0 FFAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)Cc2ccccc2)C1 ZINC000195262825 510744529 /nfs/dbraw/zinc/74/45/29/510744529.db2.gz VBFYICQMSFHQBQ-RBUKOAKNSA-N 2 2 359.539 2.809 10 0 FFAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)Cc2ccccc2)C1 ZINC000195262825 510744533 /nfs/dbraw/zinc/74/45/33/510744533.db2.gz VBFYICQMSFHQBQ-RBUKOAKNSA-N 2 2 359.539 2.809 10 0 FFAELP COC(=O)c1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)s1 ZINC000195270767 510750019 /nfs/dbraw/zinc/75/00/19/510750019.db2.gz BIAOUSULHLTQJD-INIZCTEOSA-N 2 2 359.495 2.884 10 0 FFAELP COC(=O)c1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)s1 ZINC000195270767 510750030 /nfs/dbraw/zinc/75/00/30/510750030.db2.gz BIAOUSULHLTQJD-INIZCTEOSA-N 2 2 359.495 2.884 10 0 FFAELP COC(=O)c1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)s1 ZINC000195270767 510750037 /nfs/dbraw/zinc/75/00/37/510750037.db2.gz BIAOUSULHLTQJD-INIZCTEOSA-N 2 2 359.495 2.884 10 0 FFAELP COC(=O)c1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)s1 ZINC000195270767 510750046 /nfs/dbraw/zinc/75/00/46/510750046.db2.gz BIAOUSULHLTQJD-INIZCTEOSA-N 2 2 359.495 2.884 10 0 FFAELP CCc1oc(C(=O)OC)cc1C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195296717 510770062 /nfs/dbraw/zinc/77/00/62/510770062.db2.gz GVIFJLQHCRQSQQ-QGZVFWFLSA-N 2 2 371.481 2.978 10 0 FFAELP CCc1oc(C(=O)OC)cc1C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195296717 510770064 /nfs/dbraw/zinc/77/00/64/510770064.db2.gz GVIFJLQHCRQSQQ-QGZVFWFLSA-N 2 2 371.481 2.978 10 0 FFAELP CCc1oc(C(=O)OC)cc1C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195296717 510770070 /nfs/dbraw/zinc/77/00/70/510770070.db2.gz GVIFJLQHCRQSQQ-QGZVFWFLSA-N 2 2 371.481 2.978 10 0 FFAELP CCc1oc(C(=O)OC)cc1C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195296717 510770074 /nfs/dbraw/zinc/77/00/74/510770074.db2.gz GVIFJLQHCRQSQQ-QGZVFWFLSA-N 2 2 371.481 2.978 10 0 FFAELP CN(C)C(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195300493 510771516 /nfs/dbraw/zinc/77/15/16/510771516.db2.gz QKHIAJLJAPJNRT-CTNGQTDRSA-N 2 2 366.509 2.665 10 0 FFAELP CN(C)C(=O)[C@H](c1ccccc1)[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195300493 510771521 /nfs/dbraw/zinc/77/15/21/510771521.db2.gz QKHIAJLJAPJNRT-CTNGQTDRSA-N 2 2 366.509 2.665 10 0 FFAELP CN(C)C(=O)[C@H](c1ccccc1)[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195300493 510771528 /nfs/dbraw/zinc/77/15/28/510771528.db2.gz QKHIAJLJAPJNRT-CTNGQTDRSA-N 2 2 366.509 2.665 10 0 FFAELP CN(C)C(=O)[C@H](c1ccccc1)[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195300493 510771534 /nfs/dbraw/zinc/77/15/34/510771534.db2.gz QKHIAJLJAPJNRT-CTNGQTDRSA-N 2 2 366.509 2.665 10 0 FFAELP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000247365257 510858509 /nfs/dbraw/zinc/85/85/09/510858509.db2.gz OVKXBVKWCWMHIM-BHIYHBOVSA-N 2 2 361.555 2.621 10 0 FFAELP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000247365257 510858510 /nfs/dbraw/zinc/85/85/10/510858510.db2.gz OVKXBVKWCWMHIM-BHIYHBOVSA-N 2 2 361.555 2.621 10 0 FFAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC000247454568 510861259 /nfs/dbraw/zinc/86/12/59/510861259.db2.gz TUSPCLQRDXNMCC-XOKHGSTOSA-N 2 2 368.472 2.595 10 0 FFAELP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC000247454568 510861260 /nfs/dbraw/zinc/86/12/60/510861260.db2.gz TUSPCLQRDXNMCC-XOKHGSTOSA-N 2 2 368.472 2.595 10 0 FFAELP Cc1[nH+]c2ccccc2n1C1CCN(C(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000333793267 511357797 /nfs/dbraw/zinc/35/77/97/511357797.db2.gz GMZLQDKJPPKKAE-MRXNPFEDSA-N 2 2 355.486 2.833 10 0 FFAELP O[C@H](C[NH2+][C@H]1CCc2c1cccc2Br)C[NH+]1CCCCC1 ZINC000180044922 729201688 /nfs/dbraw/zinc/20/16/88/729201688.db2.gz QGIWJSOOBANFDY-DYVFJYSZSA-N 2 2 353.304 2.873 10 0 FFAELP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@H](C)c2cccc(Br)c2)CC1 ZINC000182572774 729281914 /nfs/dbraw/zinc/28/19/14/729281914.db2.gz RRJSIZKIRNTKBS-ZIAGYGMSSA-N 2 2 368.319 2.652 10 0 FFAELP CC[NH+](CC)[C@H](C(=O)NCc1ccnc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000104147363 250168396 /nfs/dbraw/zinc/16/83/96/250168396.db2.gz AOMAEXZKYFTWRN-FQEVSTJZSA-N 2 2 363.465 2.967 10 0 FFAELP C[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000104770912 250185654 /nfs/dbraw/zinc/18/56/54/250185654.db2.gz KFNPKLAFPGWEQR-KRWDZBQOSA-N 2 2 371.485 2.958 10 0 FFAELP C[C@H]1CCCC[N@H+]1CCNC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000104770912 250185660 /nfs/dbraw/zinc/18/56/60/250185660.db2.gz KFNPKLAFPGWEQR-KRWDZBQOSA-N 2 2 371.485 2.958 10 0 FFAELP Cn1cc[nH+]c1CC1CC[NH+](CC(=O)N2CCCc3ccccc32)CC1 ZINC000106165912 250245949 /nfs/dbraw/zinc/24/59/49/250245949.db2.gz WKNKBRTXCAVXBZ-UHFFFAOYSA-N 2 2 352.482 2.654 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)NCc2ccccc2COC)C1 ZINC000106212752 250255531 /nfs/dbraw/zinc/25/55/31/250255531.db2.gz LWIRDGNXWHUFAJ-IBGZPJMESA-N 2 2 370.497 2.545 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)NCc2ccccc2COC)C1 ZINC000106212752 250255533 /nfs/dbraw/zinc/25/55/33/250255533.db2.gz LWIRDGNXWHUFAJ-IBGZPJMESA-N 2 2 370.497 2.545 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCc2nc3ccccc3c(=O)[nH]2)C1 ZINC000106212324 250255700 /nfs/dbraw/zinc/25/57/00/250255700.db2.gz RCDRGMZUNYDKSQ-HNNXBMFYSA-N 2 2 351.454 2.562 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCc2nc3ccccc3c(=O)[nH]2)C1 ZINC000106212324 250255703 /nfs/dbraw/zinc/25/57/03/250255703.db2.gz RCDRGMZUNYDKSQ-HNNXBMFYSA-N 2 2 351.454 2.562 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NCc2cccc(OC)c2)C1 ZINC000106213884 250255993 /nfs/dbraw/zinc/25/59/93/250255993.db2.gz RBAMZKQIBGMMOI-WMZOPIPTSA-N 2 2 370.497 2.796 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)NCc2cccc(OC)c2)C1 ZINC000106213884 250255995 /nfs/dbraw/zinc/25/59/95/250255995.db2.gz RBAMZKQIBGMMOI-WMZOPIPTSA-N 2 2 370.497 2.796 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)Nc2ccc(C(C)=O)cc2)C1 ZINC000106216309 250257274 /nfs/dbraw/zinc/25/72/74/250257274.db2.gz IGXSMQRVPANXGL-SFHVURJKSA-N 2 2 354.454 2.924 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C(C)=O)cc2)C1 ZINC000106216309 250257277 /nfs/dbraw/zinc/25/72/77/250257277.db2.gz IGXSMQRVPANXGL-SFHVURJKSA-N 2 2 354.454 2.924 10 0 FFAELP CC(C)[C@@H]1OCCC[C@H]1Nc1nc(N2CC[N@@H+]3CCCC[C@H]3C2)cc[nH+]1 ZINC000330137928 258156306 /nfs/dbraw/zinc/15/63/06/258156306.db2.gz ODODZKGZLMVHKS-SCTDSRPQSA-N 2 2 359.518 2.767 10 0 FFAELP CC(C)[C@@H]1OCCC[C@H]1Nc1nc(N2CC[N@H+]3CCCC[C@H]3C2)cc[nH+]1 ZINC000330137928 258156307 /nfs/dbraw/zinc/15/63/07/258156307.db2.gz ODODZKGZLMVHKS-SCTDSRPQSA-N 2 2 359.518 2.767 10 0 FFAELP Cc1nc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)c2c([nH+]1)CCCC2 ZINC000332993233 258244733 /nfs/dbraw/zinc/24/47/33/258244733.db2.gz BPEWLXSSSMVVOA-OXJNMPFZSA-N 2 2 368.529 2.917 10 0 FFAELP O=C(NCCCn1cc[nH+]c1)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000067005457 506723840 /nfs/dbraw/zinc/72/38/40/506723840.db2.gz SHBYKVUUPPQNAD-LJQANCHMSA-N 2 2 355.486 2.627 10 0 FFAELP O=C(NCCCn1cc[nH+]c1)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000067005457 506723848 /nfs/dbraw/zinc/72/38/48/506723848.db2.gz SHBYKVUUPPQNAD-LJQANCHMSA-N 2 2 355.486 2.627 10 0 FFAELP C[NH+](C)C[C@H](NC(=O)NC1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000048216745 507480957 /nfs/dbraw/zinc/48/09/57/507480957.db2.gz JNXVBHCWCRHNTM-IBGZPJMESA-N 2 2 367.497 2.653 10 0 FFAELP Cn1c(CC[NH2+]C2CC[NH+](Cc3cccnc3)CC2)nc2c1cccc2F ZINC000089673930 507855271 /nfs/dbraw/zinc/85/52/71/507855271.db2.gz HBPLSGXSMPXFBO-UHFFFAOYSA-N 2 2 367.472 2.904 10 0 FFAELP OC[C@H]1CCCN(c2cc(N3CCC[C@@H]([NH+]4CCCCCC4)C3)nc[nH+]2)C1 ZINC000091482454 507989395 /nfs/dbraw/zinc/98/93/95/507989395.db2.gz PFOVVBVPNIXOLC-RBUKOAKNSA-N 2 2 373.545 2.530 10 0 FFAELP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCCn2cc[nH+]c21)c1cccc(OC)c1 ZINC000080509838 508080287 /nfs/dbraw/zinc/08/02/87/508080287.db2.gz WOTVSZYUMPTBNP-RTBURBONSA-N 2 2 370.497 2.968 10 0 FFAELP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H]2CCCn3cc[nH+]c32)CC1 ZINC000081553732 508188333 /nfs/dbraw/zinc/18/83/33/508188333.db2.gz FJZNBZCQTBBUNG-IBGZPJMESA-N 2 2 352.482 2.850 10 0 FFAELP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)NCC[N@H+](C)Cc1ccccc1)C2 ZINC000112745637 508219205 /nfs/dbraw/zinc/21/92/05/508219205.db2.gz SRDRPYQQQLWPGS-UHFFFAOYSA-N 2 2 369.513 2.743 10 0 FFAELP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)NCC[N@@H+](C)Cc1ccccc1)C2 ZINC000112745637 508219206 /nfs/dbraw/zinc/21/92/06/508219206.db2.gz SRDRPYQQQLWPGS-UHFFFAOYSA-N 2 2 369.513 2.743 10 0 FFAELP Cc1ccc(NCCCNC(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)[nH+]c1 ZINC000112743722 508219222 /nfs/dbraw/zinc/21/92/22/508219222.db2.gz ODRHGYBOHFGNMK-UHFFFAOYSA-N 2 2 370.501 2.817 10 0 FFAELP CC[N@H+](Cc1ccc(C(=O)NC[C@@H]2C[NH+](C3CC3)CCO2)cc1)C(C)C ZINC000127437781 508449859 /nfs/dbraw/zinc/44/98/59/508449859.db2.gz YXBLGQJGHJSRAK-HXUWFJFHSA-N 2 2 359.514 2.510 10 0 FFAELP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H]2C[NH+](C3CC3)CCO2)cc1)C(C)C ZINC000127437781 508449864 /nfs/dbraw/zinc/44/98/64/508449864.db2.gz YXBLGQJGHJSRAK-HXUWFJFHSA-N 2 2 359.514 2.510 10 0 FFAELP CC[NH+](Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)cc1)C(C)C ZINC000127437781 508449869 /nfs/dbraw/zinc/44/98/69/508449869.db2.gz YXBLGQJGHJSRAK-HXUWFJFHSA-N 2 2 359.514 2.510 10 0 FFAELP CC[NH+](Cc1ccc(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)cc1)C(C)C ZINC000127437781 508449874 /nfs/dbraw/zinc/44/98/74/508449874.db2.gz YXBLGQJGHJSRAK-HXUWFJFHSA-N 2 2 359.514 2.510 10 0 FFAELP Cc1cccc(N2CCC(NC(=O)[C@H](Cc3ccccc3)[NH+](C)C)CC2)[nH+]1 ZINC000116668563 508544522 /nfs/dbraw/zinc/54/45/22/508544522.db2.gz AXFLMRXPTAQEQB-FQEVSTJZSA-N 2 2 366.509 2.648 10 0 FFAELP O=C1[C@H]([N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CCN1c1c(F)cccc1F ZINC000119698568 508846312 /nfs/dbraw/zinc/84/63/12/508846312.db2.gz MRYHVSDWMKWVQN-WMLDXEAASA-N 2 2 372.419 2.899 10 0 FFAELP O=C1[C@H]([N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CCN1c1c(F)cccc1F ZINC000119698568 508846316 /nfs/dbraw/zinc/84/63/16/508846316.db2.gz MRYHVSDWMKWVQN-WMLDXEAASA-N 2 2 372.419 2.899 10 0 FFAELP C([NH2+][C@H]1CCO[C@]2(CCSC2)C1)C1(C[NH+]2CCOCC2)CCCCC1 ZINC000125093503 508930403 /nfs/dbraw/zinc/93/04/03/508930403.db2.gz QVBSPPKANUFHFR-AZUAARDMSA-N 2 2 368.587 2.913 10 0 FFAELP C[N@H+](Cc1cc(F)c(F)cc1F)C1CC[NH+](CCn2cccn2)CC1 ZINC000121235726 509154843 /nfs/dbraw/zinc/15/48/43/509154843.db2.gz WFXQRWKQZQCLBD-UHFFFAOYSA-N 2 2 352.404 2.897 10 0 FFAELP C[N@@H+](Cc1cc(F)c(F)cc1F)C1CC[NH+](CCn2cccn2)CC1 ZINC000121235726 509154845 /nfs/dbraw/zinc/15/48/45/509154845.db2.gz WFXQRWKQZQCLBD-UHFFFAOYSA-N 2 2 352.404 2.897 10 0 FFAELP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@@H](O)c2ccc(F)cc2Cl)CC1 ZINC000248563820 509364692 /nfs/dbraw/zinc/36/46/92/509364692.db2.gz NYRFOGDOWINMNX-VQIMIIECSA-N 2 2 369.912 2.614 10 0 FFAELP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@@H](O)c2ccc(F)cc2Cl)CC1 ZINC000248563820 509364694 /nfs/dbraw/zinc/36/46/94/509364694.db2.gz NYRFOGDOWINMNX-VQIMIIECSA-N 2 2 369.912 2.614 10 0 FFAELP C[C@@H](C(=O)NCc1cccs1)[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248644427 509411611 /nfs/dbraw/zinc/41/16/11/509411611.db2.gz FJFYAYMCIILGCE-WMZOPIPTSA-N 2 2 372.538 2.602 10 0 FFAELP C[C@@H](C(=O)NCc1cccs1)[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248644427 509411618 /nfs/dbraw/zinc/41/16/18/509411618.db2.gz FJFYAYMCIILGCE-WMZOPIPTSA-N 2 2 372.538 2.602 10 0 FFAELP C[C@@H](C(=O)NCc1cccs1)[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248644427 509411622 /nfs/dbraw/zinc/41/16/22/509411622.db2.gz FJFYAYMCIILGCE-WMZOPIPTSA-N 2 2 372.538 2.602 10 0 FFAELP C[C@@H](C(=O)NCc1cccs1)[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248644427 509411630 /nfs/dbraw/zinc/41/16/30/509411630.db2.gz FJFYAYMCIILGCE-WMZOPIPTSA-N 2 2 372.538 2.602 10 0 FFAELP C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248662633 509426710 /nfs/dbraw/zinc/42/67/10/509426710.db2.gz YOIUPYLKSXDQDO-HDAAZOAOSA-N 2 2 372.557 2.728 10 0 FFAELP C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248662633 509426716 /nfs/dbraw/zinc/42/67/16/509426716.db2.gz YOIUPYLKSXDQDO-HDAAZOAOSA-N 2 2 372.557 2.728 10 0 FFAELP C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248662633 509426725 /nfs/dbraw/zinc/42/67/25/509426725.db2.gz YOIUPYLKSXDQDO-HDAAZOAOSA-N 2 2 372.557 2.728 10 0 FFAELP C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248662633 509426731 /nfs/dbraw/zinc/42/67/31/509426731.db2.gz YOIUPYLKSXDQDO-HDAAZOAOSA-N 2 2 372.557 2.728 10 0 FFAELP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@@H]2CCCc3cc(F)ccc32)CC1 ZINC000163930201 509441510 /nfs/dbraw/zinc/44/15/10/509441510.db2.gz JDWWSGCOQHXNNS-LJQANCHMSA-N 2 2 362.493 2.528 10 0 FFAELP CC(C)c1ccccc1NC(=O)C[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000182903100 509486849 /nfs/dbraw/zinc/48/68/49/509486849.db2.gz YOJSMWMGXZFOGI-LJQANCHMSA-N 2 2 372.557 2.850 10 0 FFAELP CC(C)c1ccccc1NC(=O)C[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000182903100 509486857 /nfs/dbraw/zinc/48/68/57/509486857.db2.gz YOJSMWMGXZFOGI-LJQANCHMSA-N 2 2 372.557 2.850 10 0 FFAELP NC(=O)[C@@H](Cc1ccc(Cl)cc1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000248849949 509510822 /nfs/dbraw/zinc/51/08/22/509510822.db2.gz AOPKDBKUQQRQLI-NVXWUHKLSA-N 2 2 358.873 2.565 10 0 FFAELP NC(=O)[C@@H](Cc1ccc(Cl)cc1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000248849949 509510829 /nfs/dbraw/zinc/51/08/29/509510829.db2.gz AOPKDBKUQQRQLI-NVXWUHKLSA-N 2 2 358.873 2.565 10 0 FFAELP O[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C[NH+]1CCCCC1 ZINC000192721976 509613887 /nfs/dbraw/zinc/61/38/87/509613887.db2.gz WYXZXQXEYWMGDI-KBRMVUAJSA-N 3 2 357.542 2.618 10 0 FFAELP O[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C[NH+]1CCCCC1 ZINC000192721976 509613895 /nfs/dbraw/zinc/61/38/95/509613895.db2.gz WYXZXQXEYWMGDI-KBRMVUAJSA-N 3 2 357.542 2.618 10 0 FFAELP O=C(NCCCCC[NH+]1CCCCC1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186466493 509721663 /nfs/dbraw/zinc/72/16/63/509721663.db2.gz GNIHSAUOLZEFHF-UHFFFAOYSA-N 2 2 373.545 2.960 10 0 FFAELP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000174236998 510018025 /nfs/dbraw/zinc/01/80/25/510018025.db2.gz XYSXIKICSDFGTC-LJQANCHMSA-N 2 2 373.545 2.814 10 0 FFAELP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000177489197 510092083 /nfs/dbraw/zinc/09/20/83/510092083.db2.gz QTOSWVVAJMICAI-ZWKOTPCHSA-N 2 2 361.530 2.731 10 0 FFAELP C[C@@H]1CC[N@H+](CCCCN2C(=O)c3ccccc3C2=O)C[C@H]1n1cc[nH+]c1 ZINC000245725627 510110021 /nfs/dbraw/zinc/11/00/21/510110021.db2.gz VGKJQHWGZSIONP-VQIMIIECSA-N 2 2 366.465 2.842 10 0 FFAELP C[C@@H]1CC[N@@H+](CCCCN2C(=O)c3ccccc3C2=O)C[C@H]1n1cc[nH+]c1 ZINC000245725627 510110026 /nfs/dbraw/zinc/11/00/26/510110026.db2.gz VGKJQHWGZSIONP-VQIMIIECSA-N 2 2 366.465 2.842 10 0 FFAELP CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)C1 ZINC000184218770 510198551 /nfs/dbraw/zinc/19/85/51/510198551.db2.gz TZNPHCFKAJUIMX-RDJZCZTQSA-N 2 2 350.532 2.621 10 0 FFAELP CC[N@H+]1CCC[C@H](NC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)C1 ZINC000184218770 510198554 /nfs/dbraw/zinc/19/85/54/510198554.db2.gz TZNPHCFKAJUIMX-RDJZCZTQSA-N 2 2 350.532 2.621 10 0 FFAELP Cc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c(C)c1 ZINC000171640747 510270469 /nfs/dbraw/zinc/27/04/69/510270469.db2.gz ZMNWLFARUHRFJI-MOPGFXCFSA-N 2 2 355.482 2.872 10 0 FFAELP Cc1ccc(OC[C@@H](O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c(C)c1 ZINC000171640747 510270475 /nfs/dbraw/zinc/27/04/75/510270475.db2.gz ZMNWLFARUHRFJI-MOPGFXCFSA-N 2 2 355.482 2.872 10 0 FFAELP Cc1ccccc1CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171643091 510272008 /nfs/dbraw/zinc/27/20/08/510272008.db2.gz XZRHWJUPEMDGTD-RBUKOAKNSA-N 2 2 366.509 2.871 10 0 FFAELP Cc1ccccc1CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171643091 510272015 /nfs/dbraw/zinc/27/20/15/510272015.db2.gz XZRHWJUPEMDGTD-RBUKOAKNSA-N 2 2 366.509 2.871 10 0 FFAELP Cc1cccc(NC[C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccnn3C(C)C)C2)[nH+]1 ZINC000246121058 510304203 /nfs/dbraw/zinc/30/42/03/510304203.db2.gz LEVWFJBJEJCJMG-IAGOWNOFSA-N 2 2 370.501 2.928 10 0 FFAELP Cc1cccc(NC[C@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccnn3C(C)C)C2)[nH+]1 ZINC000246121058 510304210 /nfs/dbraw/zinc/30/42/10/510304210.db2.gz LEVWFJBJEJCJMG-IAGOWNOFSA-N 2 2 370.501 2.928 10 0 FFAELP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)C1 ZINC000246796371 510678394 /nfs/dbraw/zinc/67/83/94/510678394.db2.gz CWTQQPOSESCMHT-PKOBYXMFSA-N 2 2 373.545 2.990 10 0 FFAELP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)C1 ZINC000246796371 510678396 /nfs/dbraw/zinc/67/83/96/510678396.db2.gz CWTQQPOSESCMHT-PKOBYXMFSA-N 2 2 373.545 2.990 10 0 FFAELP Cc1[nH+]ccn1C[C@@H]1CCC[NH+]1CCC[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000246892491 510731182 /nfs/dbraw/zinc/73/11/82/510731182.db2.gz FGTCQCMQDYTELL-SFTDATJTSA-N 4 2 370.545 2.716 10 0 FFAELP Cc1[nH+]ccn1C[C@@H]1CCC[NH+]1CCC[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000246892491 510731191 /nfs/dbraw/zinc/73/11/91/510731191.db2.gz FGTCQCMQDYTELL-SFTDATJTSA-N 4 2 370.545 2.716 10 0 FFAELP COc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246957703 510766501 /nfs/dbraw/zinc/76/65/01/510766501.db2.gz UWAYZXKLTKCPMS-GHTZIAJQSA-N 2 2 371.525 2.602 10 0 FFAELP COc1ccc(CN(C)C(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246957703 510766508 /nfs/dbraw/zinc/76/65/08/510766508.db2.gz UWAYZXKLTKCPMS-GHTZIAJQSA-N 2 2 371.525 2.602 10 0 FFAELP COc1ccc(CN(C)C(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246957703 510766515 /nfs/dbraw/zinc/76/65/15/510766515.db2.gz UWAYZXKLTKCPMS-GHTZIAJQSA-N 2 2 371.525 2.602 10 0 FFAELP COc1ccc(CN(C)C(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246957703 510766524 /nfs/dbraw/zinc/76/65/24/510766524.db2.gz UWAYZXKLTKCPMS-GHTZIAJQSA-N 2 2 371.525 2.602 10 0 FFAELP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NCCCNc1ccc(C)c[nH+]1 ZINC000175823633 510809208 /nfs/dbraw/zinc/80/92/08/510809208.db2.gz UNTKNQICWNECJM-KRWDZBQOSA-N 2 2 356.474 2.571 10 0 FFAELP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)Nc3ccc(N4CCCC4)cc3)CC[C@H]21 ZINC000247282691 510855483 /nfs/dbraw/zinc/85/54/83/510855483.db2.gz SXRATIFASMDLRJ-FXAWDEMLSA-N 2 2 356.514 2.641 10 0 FFAELP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)Nc3ccc(N4CCCC4)cc3)CC[C@H]21 ZINC000247282691 510855484 /nfs/dbraw/zinc/85/54/84/510855484.db2.gz SXRATIFASMDLRJ-FXAWDEMLSA-N 2 2 356.514 2.641 10 0 FFAELP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)Nc3ccc(N4CCCC4)cc3)CC[C@H]21 ZINC000247282691 510855485 /nfs/dbraw/zinc/85/54/85/510855485.db2.gz SXRATIFASMDLRJ-FXAWDEMLSA-N 2 2 356.514 2.641 10 0 FFAELP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)Nc3ccc(N4CCCC4)cc3)CC[C@H]21 ZINC000247282691 510855486 /nfs/dbraw/zinc/85/54/86/510855486.db2.gz SXRATIFASMDLRJ-FXAWDEMLSA-N 2 2 356.514 2.641 10 0 FFAELP CC1CCN(c2ccc(CNC(=O)N3C[C@@H]4CCC[N@@H+]4C[C@H]3C)c[nH+]2)CC1 ZINC000247466946 510861739 /nfs/dbraw/zinc/86/17/39/510861739.db2.gz RHLZIPDDHHNWKY-MJGOQNOKSA-N 2 2 371.529 2.696 10 0 FFAELP CC1CCN(c2ccc(CNC(=O)N3C[C@@H]4CCC[N@H+]4C[C@H]3C)c[nH+]2)CC1 ZINC000247466946 510861740 /nfs/dbraw/zinc/86/17/40/510861740.db2.gz RHLZIPDDHHNWKY-MJGOQNOKSA-N 2 2 371.529 2.696 10 0 FFAELP Cn1cc[nH+]c1CN(C(=O)[C@@H]1C[C@@H]1c1ccccc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000328651864 511907388 /nfs/dbraw/zinc/90/73/88/511907388.db2.gz WCLSPODVZWJWSN-GUDVDZBRSA-N 2 2 364.493 2.695 10 0 FFAELP Cn1cc[nH+]c1CN(Cc1nc2c(s1)CCC2)[C@@H]1CC12CC[NH2+]CC2 ZINC000583622992 519346457 /nfs/dbraw/zinc/34/64/57/519346457.db2.gz HAMMJEZPFIYHNP-MRXNPFEDSA-N 2 2 357.527 2.510 10 0 FFAELP COc1ccc(-c2noc(C[NH+]3CCC(Cc4[nH+]ccn4C)CC3)n2)cc1 ZINC000106165612 250246847 /nfs/dbraw/zinc/24/68/47/250246847.db2.gz PGBSIMHKVFHXTE-UHFFFAOYSA-N 2 2 367.453 2.933 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cc(=O)n3cc(C)ccc3n2)C1 ZINC000329171182 258131483 /nfs/dbraw/zinc/13/14/83/258131483.db2.gz KKOXMAMTRYTDLC-QGZVFWFLSA-N 2 2 351.454 2.599 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cc(=O)n3cc(C)ccc3n2)C1 ZINC000329171182 258131484 /nfs/dbraw/zinc/13/14/84/258131484.db2.gz KKOXMAMTRYTDLC-QGZVFWFLSA-N 2 2 351.454 2.599 10 0 FFAELP Nc1[nH+]cnc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1N ZINC000040723741 136120097 /nfs/dbraw/zinc/12/00/97/136120097.db2.gz UZGRFPAKKNJRPP-UHFFFAOYSA-N 2 2 360.465 2.553 10 0 FFAELP CC[C@H](O)C[NH+]1CCN(c2nc(C)[nH+]c(C)c2Cc2ccccc2C)CC1 ZINC000036340120 506402275 /nfs/dbraw/zinc/40/22/75/506402275.db2.gz QRKCKUYFGIIFHC-FQEVSTJZSA-N 2 2 368.525 2.886 10 0 FFAELP Cc1ccccc1[C@H](C)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051758564 507783628 /nfs/dbraw/zinc/78/36/28/507783628.db2.gz ZYKZIYXPAOBDDY-KRWDZBQOSA-N 2 2 358.530 2.914 10 0 FFAELP CC[N@@H+]1CCC[C@@H](NC(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)C1 ZINC000052523995 507812312 /nfs/dbraw/zinc/81/23/12/507812312.db2.gz XLJPLHROHFCKQC-GOSISDBHSA-N 2 2 359.518 2.746 10 0 FFAELP CC[N@H+]1CCC[C@@H](NC(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)C1 ZINC000052523995 507812313 /nfs/dbraw/zinc/81/23/13/507812313.db2.gz XLJPLHROHFCKQC-GOSISDBHSA-N 2 2 359.518 2.746 10 0 FFAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@]1(C)CCCc2ccccc21 ZINC000101691552 508254565 /nfs/dbraw/zinc/25/45/65/508254565.db2.gz CYSGTUQYBYWANK-QFIPXVFZSA-N 2 2 357.542 2.765 10 0 FFAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@]1(C)CCCc2ccccc21 ZINC000101691552 508254567 /nfs/dbraw/zinc/25/45/67/508254567.db2.gz CYSGTUQYBYWANK-QFIPXVFZSA-N 2 2 357.542 2.765 10 0 FFAELP C[C@H](C(=O)NCCc1cccs1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000114717176 508340753 /nfs/dbraw/zinc/34/07/53/508340753.db2.gz RYFOKSJQUPWEJK-HZPDHXFCSA-N 2 2 358.511 2.624 10 0 FFAELP C[C@H](C(=O)NCCc1cccs1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000114717176 508340757 /nfs/dbraw/zinc/34/07/57/508340757.db2.gz RYFOKSJQUPWEJK-HZPDHXFCSA-N 2 2 358.511 2.624 10 0 FFAELP Cc1[nH+]c2ccccc2n1CCNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106427080 508400838 /nfs/dbraw/zinc/40/08/38/508400838.db2.gz WEMMXMCAPGDALR-FQEVSTJZSA-N 2 2 350.466 2.634 10 0 FFAELP COc1ccc2oc(C[NH2+]C[C@H](O)C[N@@H+]3CCc4ccccc4C3)cc2c1 ZINC000123170006 508646341 /nfs/dbraw/zinc/64/63/41/508646341.db2.gz GRMUMCBPMAIFHS-IBGZPJMESA-N 2 2 366.461 2.950 10 0 FFAELP COc1ccc2oc(C[NH2+]C[C@H](O)C[N@H+]3CCc4ccccc4C3)cc2c1 ZINC000123170006 508646344 /nfs/dbraw/zinc/64/63/44/508646344.db2.gz GRMUMCBPMAIFHS-IBGZPJMESA-N 2 2 366.461 2.950 10 0 FFAELP CCC[C@@H](C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)[NH+](C)C ZINC000154943255 508888370 /nfs/dbraw/zinc/88/83/70/508888370.db2.gz WUWCYBVSBQQGLH-KDOFPFPSSA-N 2 2 353.457 2.776 10 0 FFAELP CCC[C@@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)[NH+](C)C ZINC000154943255 508888373 /nfs/dbraw/zinc/88/83/73/508888373.db2.gz WUWCYBVSBQQGLH-KDOFPFPSSA-N 2 2 353.457 2.776 10 0 FFAELP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCN(Cc2nc(-c3ccccc3)co2)CC1 ZINC000120888759 509083559 /nfs/dbraw/zinc/08/35/59/509083559.db2.gz YZIXGYPGSHVDMQ-LJQANCHMSA-N 2 2 354.498 2.944 10 0 FFAELP C[N@H+]1CCC[C@@H]1CC[NH+]1CCN(Cc2nc(-c3ccccc3)co2)CC1 ZINC000120888759 509083564 /nfs/dbraw/zinc/08/35/64/509083564.db2.gz YZIXGYPGSHVDMQ-LJQANCHMSA-N 2 2 354.498 2.944 10 0 FFAELP C[N@@H+]1CCC[C@@H]1CCN1CC[NH+](Cc2nc(-c3ccccc3)co2)CC1 ZINC000120888759 509083569 /nfs/dbraw/zinc/08/35/69/509083569.db2.gz YZIXGYPGSHVDMQ-LJQANCHMSA-N 2 2 354.498 2.944 10 0 FFAELP C[N@H+]1CCC[C@@H]1CCN1CC[NH+](Cc2nc(-c3ccccc3)co2)CC1 ZINC000120888759 509083573 /nfs/dbraw/zinc/08/35/73/509083573.db2.gz YZIXGYPGSHVDMQ-LJQANCHMSA-N 2 2 354.498 2.944 10 0 FFAELP O=C(NCc1[nH+]ccn1CCCc1ccccc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000175928012 509222121 /nfs/dbraw/zinc/22/21/21/509222121.db2.gz WQEUBTOSIMZBAK-IBGZPJMESA-N 2 2 367.497 2.506 10 0 FFAELP O=C(NCc1[nH+]ccn1CCCc1ccccc1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000175928012 509222127 /nfs/dbraw/zinc/22/21/27/509222127.db2.gz WQEUBTOSIMZBAK-IBGZPJMESA-N 2 2 367.497 2.506 10 0 FFAELP CC(C)C[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248653342 509420357 /nfs/dbraw/zinc/42/03/57/509420357.db2.gz OQPDHGCOQCHYGV-ICSRJNTNSA-N 2 2 360.546 2.728 10 0 FFAELP CC(C)C[C@H](C)N(C)C(=O)C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248653342 509420363 /nfs/dbraw/zinc/42/03/63/509420363.db2.gz OQPDHGCOQCHYGV-ICSRJNTNSA-N 2 2 360.546 2.728 10 0 FFAELP CC(C)C[C@H](C)N(C)C(=O)C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248653342 509420368 /nfs/dbraw/zinc/42/03/68/509420368.db2.gz OQPDHGCOQCHYGV-ICSRJNTNSA-N 2 2 360.546 2.728 10 0 FFAELP CC(C)C[C@H](C)N(C)C(=O)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248653342 509420372 /nfs/dbraw/zinc/42/03/72/509420372.db2.gz OQPDHGCOQCHYGV-ICSRJNTNSA-N 2 2 360.546 2.728 10 0 FFAELP C[C@@H](c1nnnn1C1CCCCC1)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000189201402 509461183 /nfs/dbraw/zinc/46/11/83/509461183.db2.gz AMRYEZCHGZQSER-HNNXBMFYSA-N 2 2 357.506 2.928 10 0 FFAELP C[C@@H](NC(=O)[C@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1ccc2ccccc2c1 ZINC000193610844 509989897 /nfs/dbraw/zinc/98/98/97/509989897.db2.gz FMQPSSTYBMKIMX-XTCWOQMQSA-N 2 2 351.494 2.899 10 0 FFAELP C[C@@H](NC(=O)[C@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1ccc2ccccc2c1 ZINC000193610844 509989905 /nfs/dbraw/zinc/98/99/05/509989905.db2.gz FMQPSSTYBMKIMX-XTCWOQMQSA-N 2 2 351.494 2.899 10 0 FFAELP C[C@@H](NC(=O)[C@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1)c1ccc2ccccc2c1 ZINC000193610844 509989914 /nfs/dbraw/zinc/98/99/14/509989914.db2.gz FMQPSSTYBMKIMX-XTCWOQMQSA-N 2 2 351.494 2.899 10 0 FFAELP C[C@@H](NC(=O)[C@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1)c1ccc2ccccc2c1 ZINC000193610844 509989924 /nfs/dbraw/zinc/98/99/24/509989924.db2.gz FMQPSSTYBMKIMX-XTCWOQMQSA-N 2 2 351.494 2.899 10 0 FFAELP C[N@H+]1C[C@@H]2C[NH+](Cc3ccnc(-c4ccc(Br)cc4)n3)C[C@@H]2C1 ZINC000193646283 510004288 /nfs/dbraw/zinc/00/42/88/510004288.db2.gz OFTDOJZMLGZXKV-GASCZTMLSA-N 2 2 373.298 2.900 10 0 FFAELP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccnc(-c4ccc(Br)cc4)n3)C[C@@H]2C1 ZINC000193646283 510004293 /nfs/dbraw/zinc/00/42/93/510004293.db2.gz OFTDOJZMLGZXKV-GASCZTMLSA-N 2 2 373.298 2.900 10 0 FFAELP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccnc(-c4ccc(Br)cc4)n3)C[C@@H]2C1 ZINC000193646283 510004301 /nfs/dbraw/zinc/00/43/01/510004301.db2.gz OFTDOJZMLGZXKV-GASCZTMLSA-N 2 2 373.298 2.900 10 0 FFAELP C[NH+]1C[C@@H]2C[N@H+](Cc3ccnc(-c4ccc(Br)cc4)n3)C[C@@H]2C1 ZINC000193646283 510004309 /nfs/dbraw/zinc/00/43/09/510004309.db2.gz OFTDOJZMLGZXKV-GASCZTMLSA-N 2 2 373.298 2.900 10 0 FFAELP COC(=O)c1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)cc1 ZINC000190491776 510162523 /nfs/dbraw/zinc/16/25/23/510162523.db2.gz ZNNKULWGIVUHDU-IBGZPJMESA-N 2 2 353.466 2.822 10 0 FFAELP COC(=O)c1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)cc1 ZINC000190491776 510162534 /nfs/dbraw/zinc/16/25/34/510162534.db2.gz ZNNKULWGIVUHDU-IBGZPJMESA-N 2 2 353.466 2.822 10 0 FFAELP COC(=O)c1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)cc1 ZINC000190491776 510162542 /nfs/dbraw/zinc/16/25/42/510162542.db2.gz ZNNKULWGIVUHDU-IBGZPJMESA-N 2 2 353.466 2.822 10 0 FFAELP COC(=O)c1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)cc1 ZINC000190491776 510162550 /nfs/dbraw/zinc/16/25/50/510162550.db2.gz ZNNKULWGIVUHDU-IBGZPJMESA-N 2 2 353.466 2.822 10 0 FFAELP O=C1[C@@H]([N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CCN1c1c(F)cccc1F ZINC000245868474 510178078 /nfs/dbraw/zinc/17/80/78/510178078.db2.gz MRYHVSDWMKWVQN-YOEHRIQHSA-N 2 2 372.419 2.899 10 0 FFAELP O=C1[C@@H]([N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CCN1c1c(F)cccc1F ZINC000245868474 510178082 /nfs/dbraw/zinc/17/80/82/510178082.db2.gz MRYHVSDWMKWVQN-YOEHRIQHSA-N 2 2 372.419 2.899 10 0 FFAELP O=C(C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)Nc1ccnn1C1CCCC1 ZINC000171644776 510275379 /nfs/dbraw/zinc/27/53/79/510275379.db2.gz GSBYWJUZTVPWCY-MRXNPFEDSA-N 2 2 368.485 2.766 10 0 FFAELP O=C(C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)Nc1ccnn1C1CCCC1 ZINC000171644776 510275393 /nfs/dbraw/zinc/27/53/93/510275393.db2.gz GSBYWJUZTVPWCY-MRXNPFEDSA-N 2 2 368.485 2.766 10 0 FFAELP CC(C)n1nccc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171645873 510275925 /nfs/dbraw/zinc/27/59/25/510275925.db2.gz WYAGRYJIDZSOFK-JKSUJKDBSA-N 2 2 356.474 2.620 10 0 FFAELP CC(C)n1nccc1NC(=O)[C@H](C)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171645873 510275933 /nfs/dbraw/zinc/27/59/33/510275933.db2.gz WYAGRYJIDZSOFK-JKSUJKDBSA-N 2 2 356.474 2.620 10 0 FFAELP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)NCc3ccc(F)cc3)C2)[nH+]1 ZINC000171653067 510283656 /nfs/dbraw/zinc/28/36/56/510283656.db2.gz PHZHHFALXVCVFN-QGZVFWFLSA-N 2 2 356.445 2.579 10 0 FFAELP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)NCc3ccc(F)cc3)C2)[nH+]1 ZINC000171653067 510283669 /nfs/dbraw/zinc/28/36/69/510283669.db2.gz PHZHHFALXVCVFN-QGZVFWFLSA-N 2 2 356.445 2.579 10 0 FFAELP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246142258 510317830 /nfs/dbraw/zinc/31/78/30/510317830.db2.gz NZPAICFRNNPMHJ-QYZOEREBSA-N 2 2 374.529 2.527 10 0 FFAELP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246142258 510317837 /nfs/dbraw/zinc/31/78/37/510317837.db2.gz NZPAICFRNNPMHJ-QYZOEREBSA-N 2 2 374.529 2.527 10 0 FFAELP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)c(C)c1 ZINC000174876799 510360203 /nfs/dbraw/zinc/36/02/03/510360203.db2.gz ZZTZAOMEGVNKHI-UXHICEINSA-N 2 2 372.557 2.732 10 0 FFAELP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)c(C)c1 ZINC000174876799 510360209 /nfs/dbraw/zinc/36/02/09/510360209.db2.gz ZZTZAOMEGVNKHI-UXHICEINSA-N 2 2 372.557 2.732 10 0 FFAELP COc1ccccc1N1CC[C@H]([N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)C1=O ZINC000246230837 510377929 /nfs/dbraw/zinc/37/79/29/510377929.db2.gz MRMLFSXRNARHHO-WMZOPIPTSA-N 2 2 366.465 2.630 10 0 FFAELP COc1ccccc1N1CC[C@H]([N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)C1=O ZINC000246230837 510377934 /nfs/dbraw/zinc/37/79/34/510377934.db2.gz MRMLFSXRNARHHO-WMZOPIPTSA-N 2 2 366.465 2.630 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@@H](O)COCc2ccccc2OC)C1 ZINC000246244827 510386633 /nfs/dbraw/zinc/38/66/33/510386633.db2.gz DRQQARMBRXTPLC-RBUKOAKNSA-N 2 2 373.497 2.669 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@@H](O)COCc2ccccc2OC)C1 ZINC000246244827 510386643 /nfs/dbraw/zinc/38/66/43/510386643.db2.gz DRQQARMBRXTPLC-RBUKOAKNSA-N 2 2 373.497 2.669 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@@H](O)COCc2ccccc2OC)C1 ZINC000246244831 510386917 /nfs/dbraw/zinc/38/69/17/510386917.db2.gz DRQQARMBRXTPLC-RTBURBONSA-N 2 2 373.497 2.669 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@@H](O)COCc2ccccc2OC)C1 ZINC000246244831 510386925 /nfs/dbraw/zinc/38/69/25/510386925.db2.gz DRQQARMBRXTPLC-RTBURBONSA-N 2 2 373.497 2.669 10 0 FFAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCCC[C@H]3c3cn[nH]c3)c2cc1C ZINC000246317308 510423757 /nfs/dbraw/zinc/42/37/57/510423757.db2.gz DVJULZVEIIJKOB-HKUYNNGSSA-N 2 2 353.470 2.964 10 0 FFAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCCC[C@H]3c3cn[nH]c3)c2cc1C ZINC000246317308 510423761 /nfs/dbraw/zinc/42/37/61/510423761.db2.gz DVJULZVEIIJKOB-HKUYNNGSSA-N 2 2 353.470 2.964 10 0 FFAELP CCc1nnc(C[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)n1C ZINC000181628112 510509897 /nfs/dbraw/zinc/50/98/97/510509897.db2.gz OUHFFKVGLMYLCI-HNNXBMFYSA-N 2 2 374.508 2.509 10 0 FFAELP C[C@H](CCNc1cc(N2CCC[C@@H]2CO)nc[nH+]1)[N@H+](C)Cc1ccccc1 ZINC000175161338 510511577 /nfs/dbraw/zinc/51/15/77/510511577.db2.gz IHCBLLCAYXMMSY-IEBWSBKVSA-N 2 2 369.513 2.760 10 0 FFAELP C[C@H](CCNc1cc(N2CCC[C@@H]2CO)nc[nH+]1)[N@@H+](C)Cc1ccccc1 ZINC000175161338 510511579 /nfs/dbraw/zinc/51/15/79/510511579.db2.gz IHCBLLCAYXMMSY-IEBWSBKVSA-N 2 2 369.513 2.760 10 0 FFAELP C[C@H](CCNc1cc(N2CCC[C@@H]2CO)[nH+]cn1)[N@H+](C)Cc1ccccc1 ZINC000175161338 510511582 /nfs/dbraw/zinc/51/15/82/510511582.db2.gz IHCBLLCAYXMMSY-IEBWSBKVSA-N 2 2 369.513 2.760 10 0 FFAELP C[C@H](CCNc1cc(N2CCC[C@@H]2CO)[nH+]cn1)[N@@H+](C)Cc1ccccc1 ZINC000175161338 510511585 /nfs/dbraw/zinc/51/15/85/510511585.db2.gz IHCBLLCAYXMMSY-IEBWSBKVSA-N 2 2 369.513 2.760 10 0 FFAELP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)C1 ZINC000246632467 510594040 /nfs/dbraw/zinc/59/40/40/510594040.db2.gz NDDKEYHHWDDQLR-ROUUACIJSA-N 2 2 361.534 2.958 10 0 FFAELP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)C1 ZINC000246632467 510594046 /nfs/dbraw/zinc/59/40/46/510594046.db2.gz NDDKEYHHWDDQLR-ROUUACIJSA-N 2 2 361.534 2.958 10 0 FFAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC2CCCC2)C1 ZINC000195268357 510748302 /nfs/dbraw/zinc/74/83/02/510748302.db2.gz GXWLHIFBWYTLSU-HOTGVXAUSA-N 2 2 364.559 2.653 10 0 FFAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC2CCCC2)C1 ZINC000195268357 510748310 /nfs/dbraw/zinc/74/83/10/510748310.db2.gz GXWLHIFBWYTLSU-HOTGVXAUSA-N 2 2 364.559 2.653 10 0 FFAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)NC2CCCC2)C1 ZINC000195268357 510748315 /nfs/dbraw/zinc/74/83/15/510748315.db2.gz GXWLHIFBWYTLSU-HOTGVXAUSA-N 2 2 364.559 2.653 10 0 FFAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)NC2CCCC2)C1 ZINC000195268357 510748324 /nfs/dbraw/zinc/74/83/24/510748324.db2.gz GXWLHIFBWYTLSU-HOTGVXAUSA-N 2 2 364.559 2.653 10 0 FFAELP O[C@@H](COCc1ccccc1F)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000247398244 510859674 /nfs/dbraw/zinc/85/96/74/510859674.db2.gz RBCVVHLNQHKTKN-FUHWJXTLSA-N 2 2 359.445 2.532 10 0 FFAELP O[C@@H](COCc1ccccc1F)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000247398244 510859675 /nfs/dbraw/zinc/85/96/75/510859675.db2.gz RBCVVHLNQHKTKN-FUHWJXTLSA-N 2 2 359.445 2.532 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NCc2ccccc2F)C1 ZINC000247578600 510866393 /nfs/dbraw/zinc/86/63/93/510866393.db2.gz ICTGVEHHWIKQIM-NVXWUHKLSA-N 2 2 358.461 2.926 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)NCc2ccccc2F)C1 ZINC000247578600 510866394 /nfs/dbraw/zinc/86/63/94/510866394.db2.gz ICTGVEHHWIKQIM-NVXWUHKLSA-N 2 2 358.461 2.926 10 0 FFAELP CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)C1 ZINC000247635101 510867500 /nfs/dbraw/zinc/86/75/00/510867500.db2.gz UCIWGEJDNOLCAZ-DFQSSKMNSA-N 2 2 367.497 2.895 10 0 FFAELP C[C@]1(C[NH2+]C[C@@H](O)COCc2ccco2)CCC[N@@H+]1Cc1ccccc1 ZINC000397891060 512950359 /nfs/dbraw/zinc/95/03/59/512950359.db2.gz GGRUTHRVLCAOOE-TZIWHRDSSA-N 2 2 358.482 2.801 10 0 FFAELP C[C@]1(C[NH2+]C[C@@H](O)COCc2ccco2)CCC[N@H+]1Cc1ccccc1 ZINC000397891060 512950363 /nfs/dbraw/zinc/95/03/63/512950363.db2.gz GGRUTHRVLCAOOE-TZIWHRDSSA-N 2 2 358.482 2.801 10 0 FFAELP O=C(NCc1cn2c([nH+]1)CCCC2)N1CC[NH+](CC2CCCCC2)CC1 ZINC000407994568 512981744 /nfs/dbraw/zinc/98/17/44/512981744.db2.gz BZOKPCBSWXLKMF-UHFFFAOYSA-N 2 2 359.518 2.627 10 0 FFAELP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(Br)cc1O ZINC000185115540 729341891 /nfs/dbraw/zinc/34/18/91/729341891.db2.gz DYUGZSAVVDSINR-JSGCOSHPSA-N 2 2 357.292 2.652 10 0 FFAELP O=C(Nc1ccc(Br)cc1)[C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000038042907 211363500 /nfs/dbraw/zinc/36/35/00/211363500.db2.gz CMOAPTBVFJCNJG-HNNXBMFYSA-N 2 2 352.276 2.604 10 0 FFAELP O=C(Nc1ccc(Br)cc1)[C@@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000038042907 211363506 /nfs/dbraw/zinc/36/35/06/211363506.db2.gz CMOAPTBVFJCNJG-HNNXBMFYSA-N 2 2 352.276 2.604 10 0 FFAELP C[C@H](C(=O)Nc1ccc(F)cc1F)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000106165006 250245795 /nfs/dbraw/zinc/24/57/95/250245795.db2.gz IHNXPDUSBZPSGZ-CYBMUJFWSA-N 2 2 362.424 2.980 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000106217270 250260318 /nfs/dbraw/zinc/26/03/18/250260318.db2.gz VSJZZZOAGYNTIN-HOCLYGCPSA-N 2 2 370.453 2.838 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000106217270 250260322 /nfs/dbraw/zinc/26/03/22/250260322.db2.gz VSJZZZOAGYNTIN-HOCLYGCPSA-N 2 2 370.453 2.838 10 0 FFAELP CC(C)[C@@H]1OCCC[C@@H]1Nc1nc(NCc2cn3c([nH+]2)CCCC3)cc[nH+]1 ZINC000330127184 258155930 /nfs/dbraw/zinc/15/59/30/258155930.db2.gz IYIXKDYGKXSMLK-LPHOPBHVSA-N 2 2 370.501 2.659 10 0 FFAELP CC(C)n1nccc1[C@H]1OCC[C@@H]1[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000328921896 258124182 /nfs/dbraw/zinc/12/41/82/258124182.db2.gz CHDZINQBJMJHHU-FPOVZHCZSA-N 2 2 369.513 2.943 10 0 FFAELP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[C@@H](C)[C@@H](n3cc[nH+]c3)C1)CCC2 ZINC000332703712 258240768 /nfs/dbraw/zinc/24/07/68/258240768.db2.gz FHACNFAEOOXJCL-PVAVHDDUSA-N 2 2 356.474 2.558 10 0 FFAELP C[NH+](C)C[C@H](NC(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccccc1 ZINC000056894721 507117599 /nfs/dbraw/zinc/11/75/99/507117599.db2.gz HISAOGPECVJWOL-IBGZPJMESA-N 2 2 363.465 2.974 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)N(C)Cc2cccc(OC)c2)C1 ZINC000108373503 507891023 /nfs/dbraw/zinc/89/10/23/507891023.db2.gz LRIJGQWXZRQYKR-SFHVURJKSA-N 2 2 370.497 2.750 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)N(C)Cc2cccc(OC)c2)C1 ZINC000108373503 507891027 /nfs/dbraw/zinc/89/10/27/507891027.db2.gz LRIJGQWXZRQYKR-SFHVURJKSA-N 2 2 370.497 2.750 10 0 FFAELP CCc1ccc([C@H](CNc2cc(N3CCC[C@@H]3CO)[nH+]cn2)[NH+](C)C)cc1 ZINC000110114005 508008195 /nfs/dbraw/zinc/00/81/95/508008195.db2.gz TWDYGHUXIQVQGN-MOPGFXCFSA-N 2 2 369.513 2.715 10 0 FFAELP CCOc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](n3cc[nH+]c3CC)C2)cc1 ZINC000106212274 508397831 /nfs/dbraw/zinc/39/78/31/508397831.db2.gz WUESIKDSJJWQJW-ROUUACIJSA-N 2 2 373.497 2.921 10 0 FFAELP CCOc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H](n3cc[nH+]c3CC)C2)cc1 ZINC000106212274 508397832 /nfs/dbraw/zinc/39/78/32/508397832.db2.gz WUESIKDSJJWQJW-ROUUACIJSA-N 2 2 373.497 2.921 10 0 FFAELP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000106460329 508401049 /nfs/dbraw/zinc/40/10/49/508401049.db2.gz COVGDOJNMXUMLW-NRFANRHFSA-N 2 2 367.493 2.630 10 0 FFAELP C[NH+]1CCN([C@H]2CCCC[N@H+](Cc3coc(-c4ccccc4)n3)C2)CC1 ZINC000152278950 508414542 /nfs/dbraw/zinc/41/45/42/508414542.db2.gz MBYMLGMMDSYYKD-FQEVSTJZSA-N 2 2 354.498 2.944 10 0 FFAELP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000152437462 508446032 /nfs/dbraw/zinc/44/60/32/508446032.db2.gz YVSWBCOVEBERPP-QZTJIDSGSA-N 2 2 361.534 2.505 10 0 FFAELP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000152437462 508446033 /nfs/dbraw/zinc/44/60/33/508446033.db2.gz YVSWBCOVEBERPP-QZTJIDSGSA-N 2 2 361.534 2.505 10 0 FFAELP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2cc(-c3ccccc3)n[nH]2)nc[nH+]1 ZINC000136072132 508668411 /nfs/dbraw/zinc/66/84/11/508668411.db2.gz QYEVZRIKJUMQCX-KRWDZBQOSA-N 2 2 363.469 2.667 10 0 FFAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC000123640433 508718948 /nfs/dbraw/zinc/71/89/48/508718948.db2.gz TUSPCLQRDXNMCC-COXVUDFISA-N 2 2 368.472 2.595 10 0 FFAELP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC000123640433 508718952 /nfs/dbraw/zinc/71/89/52/508718952.db2.gz TUSPCLQRDXNMCC-COXVUDFISA-N 2 2 368.472 2.595 10 0 FFAELP Cc1ccc(N2CCC(NC(=O)N(CC[NH+](C)C)C3CCCC3)CC2)[nH+]c1 ZINC000151088538 508953476 /nfs/dbraw/zinc/95/34/76/508953476.db2.gz SRTAJFZPUWDGSC-UHFFFAOYSA-N 2 2 373.545 2.875 10 0 FFAELP C[C@@H](C(=O)NC(=O)Nc1ccccc1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000151108277 508958228 /nfs/dbraw/zinc/95/82/28/508958228.db2.gz QKCBCESOLFZYMV-JKSUJKDBSA-N 2 2 367.453 2.552 10 0 FFAELP C[C@@H](C(=O)NC(=O)Nc1ccccc1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000151108277 508958233 /nfs/dbraw/zinc/95/82/33/508958233.db2.gz QKCBCESOLFZYMV-JKSUJKDBSA-N 2 2 367.453 2.552 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NC[C@H](c2ccco2)[NH+](C)C)C1 ZINC000151901562 509106737 /nfs/dbraw/zinc/10/67/37/509106737.db2.gz SVMDBCMSSPMEMC-HZPDHXFCSA-N 2 2 359.474 2.688 10 0 FFAELP CCCOCc1ccccc1CNC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248128374 509240399 /nfs/dbraw/zinc/24/03/99/509240399.db2.gz OFCJEWVQVWQPBE-FPOVZHCZSA-N 2 2 373.541 2.646 10 0 FFAELP CCCOCc1ccccc1CNC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248128374 509240409 /nfs/dbraw/zinc/24/04/09/509240409.db2.gz OFCJEWVQVWQPBE-FPOVZHCZSA-N 2 2 373.541 2.646 10 0 FFAELP CCCOCc1ccccc1CNC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248128374 509240419 /nfs/dbraw/zinc/24/04/19/509240419.db2.gz OFCJEWVQVWQPBE-FPOVZHCZSA-N 2 2 373.541 2.646 10 0 FFAELP CCCOCc1ccccc1CNC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248128374 509240424 /nfs/dbraw/zinc/24/04/24/509240424.db2.gz OFCJEWVQVWQPBE-FPOVZHCZSA-N 2 2 373.541 2.646 10 0 FFAELP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2cnc(CC(C)C)s2)nc[nH+]1 ZINC000162542472 509248314 /nfs/dbraw/zinc/24/83/14/509248314.db2.gz UQMPMKMIWZTNCU-AWEZNQCLSA-N 2 2 360.531 2.932 10 0 FFAELP Cc1ccc(N2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3C)CC2)nn1 ZINC000191998228 509284678 /nfs/dbraw/zinc/28/46/78/509284678.db2.gz FVIBXYBCNVKKJZ-UHFFFAOYSA-N 2 2 362.481 2.991 10 0 FFAELP Cc1ccc(N2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3C)CC2)nn1 ZINC000191998228 509284684 /nfs/dbraw/zinc/28/46/84/509284684.db2.gz FVIBXYBCNVKKJZ-UHFFFAOYSA-N 2 2 362.481 2.991 10 0 FFAELP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248644917 509414237 /nfs/dbraw/zinc/41/42/37/509414237.db2.gz FWUCISGIEKECCQ-HOJAQTOUSA-N 2 2 358.530 2.530 10 0 FFAELP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248644917 509414242 /nfs/dbraw/zinc/41/42/42/509414242.db2.gz FWUCISGIEKECCQ-HOJAQTOUSA-N 2 2 358.530 2.530 10 0 FFAELP C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248644917 509414248 /nfs/dbraw/zinc/41/42/48/509414248.db2.gz FWUCISGIEKECCQ-HOJAQTOUSA-N 2 2 358.530 2.530 10 0 FFAELP C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248644917 509414251 /nfs/dbraw/zinc/41/42/51/509414251.db2.gz FWUCISGIEKECCQ-HOJAQTOUSA-N 2 2 358.530 2.530 10 0 FFAELP C[C@H](c1nnnn1C1CCCCC1)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000189201422 509460769 /nfs/dbraw/zinc/46/07/69/509460769.db2.gz AMRYEZCHGZQSER-OAHLLOKOSA-N 2 2 357.506 2.928 10 0 FFAELP CC(C)c1cccc(NC(=O)C[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)c1 ZINC000182895648 509481793 /nfs/dbraw/zinc/48/17/93/509481793.db2.gz TYCWFKJBLHDRRT-NRFANRHFSA-N 2 2 372.557 2.850 10 0 FFAELP CC(C)c1cccc(NC(=O)C[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)c1 ZINC000182895648 509481800 /nfs/dbraw/zinc/48/18/00/509481800.db2.gz TYCWFKJBLHDRRT-NRFANRHFSA-N 2 2 372.557 2.850 10 0 FFAELP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)cc1C ZINC000182910911 509490105 /nfs/dbraw/zinc/49/01/05/509490105.db2.gz SMOMKCSHWAZWBN-FPOVZHCZSA-N 2 2 372.557 2.732 10 0 FFAELP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)cc1C ZINC000182910911 509490120 /nfs/dbraw/zinc/49/01/20/509490120.db2.gz SMOMKCSHWAZWBN-FPOVZHCZSA-N 2 2 372.557 2.732 10 0 FFAELP C[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000249601262 509723481 /nfs/dbraw/zinc/72/34/81/509723481.db2.gz OJWPRLXQCHXKTH-IJXRJRJASA-N 2 2 365.562 2.597 10 0 FFAELP C[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000249601262 509723485 /nfs/dbraw/zinc/72/34/85/509723485.db2.gz OJWPRLXQCHXKTH-IJXRJRJASA-N 2 2 365.562 2.597 10 0 FFAELP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2cnc(-c3ccco3)s2)nc[nH+]1 ZINC000193091484 509774867 /nfs/dbraw/zinc/77/48/67/509774867.db2.gz IFQFTPBQLSPZAL-ZDUSSCGKSA-N 2 2 370.482 2.993 10 0 FFAELP C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CC[N@@H+]4CCCC[C@H]4C3)cc2)C[C@@H](C)O1 ZINC000250203597 509791966 /nfs/dbraw/zinc/79/19/66/509791966.db2.gz PEELQUUOKQOCTI-OPYAIIAOSA-N 2 2 371.525 2.606 10 0 FFAELP C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CC[N@H+]4CCCC[C@H]4C3)cc2)C[C@@H](C)O1 ZINC000250203597 509791970 /nfs/dbraw/zinc/79/19/70/509791970.db2.gz PEELQUUOKQOCTI-OPYAIIAOSA-N 2 2 371.525 2.606 10 0 FFAELP C[C@H](CCNc1cc(N2CCC[C@H]2CO)nc[nH+]1)[N@H+](C)Cc1ccccc1 ZINC000245416536 509916767 /nfs/dbraw/zinc/91/67/67/509916767.db2.gz IHCBLLCAYXMMSY-MJGOQNOKSA-N 2 2 369.513 2.760 10 0 FFAELP C[C@H](CCNc1cc(N2CCC[C@H]2CO)nc[nH+]1)[N@@H+](C)Cc1ccccc1 ZINC000245416536 509916778 /nfs/dbraw/zinc/91/67/78/509916778.db2.gz IHCBLLCAYXMMSY-MJGOQNOKSA-N 2 2 369.513 2.760 10 0 FFAELP C[C@H](CCNc1cc(N2CCC[C@H]2CO)[nH+]cn1)[N@H+](C)Cc1ccccc1 ZINC000245416536 509916787 /nfs/dbraw/zinc/91/67/87/509916787.db2.gz IHCBLLCAYXMMSY-MJGOQNOKSA-N 2 2 369.513 2.760 10 0 FFAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2ccc(OC)cc2OC)nc[nH+]1 ZINC000180568207 509988941 /nfs/dbraw/zinc/98/89/41/509988941.db2.gz KIUFFZNGXVRAPK-HUUCEWRRSA-N 2 2 371.485 2.855 10 0 FFAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2ccc3c(c2)OCO3)nc[nH+]1 ZINC000180575974 509992753 /nfs/dbraw/zinc/99/27/53/509992753.db2.gz GYHQVKDKUWPXKM-ZFWWWQNUSA-N 2 2 355.442 2.567 10 0 FFAELP COC(=O)c1oc([C@@H](C)[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1C ZINC000180614580 510015050 /nfs/dbraw/zinc/01/50/50/510015050.db2.gz ADWNFMLLSXOCCW-MRXNPFEDSA-N 2 2 374.485 2.729 10 0 FFAELP Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)o1 ZINC000171235207 510026376 /nfs/dbraw/zinc/02/63/76/510026376.db2.gz DZXSYFSDWZNGOG-INIZCTEOSA-N 2 2 357.454 2.710 10 0 FFAELP CCCCc1noc([C@H](C)[NH2+]C[C@H]2CCCN2c2cc(NC)[nH+]cn2)n1 ZINC000174287668 510040819 /nfs/dbraw/zinc/04/08/19/510040819.db2.gz DTUJACJBRYUZKS-UONOGXRCSA-N 2 2 359.478 2.564 10 0 FFAELP CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+]([C@@H](C)c3cccc(OC)c3)CC2)C1 ZINC000171430566 510154253 /nfs/dbraw/zinc/15/42/53/510154253.db2.gz SXJFIXSUGVOMFC-PKOBYXMFSA-N 2 2 374.529 2.568 10 0 FFAELP CC[N@H+]1CCC[C@@H](NC(=O)N2CC[NH+]([C@@H](C)c3cccc(OC)c3)CC2)C1 ZINC000171430566 510154261 /nfs/dbraw/zinc/15/42/61/510154261.db2.gz SXJFIXSUGVOMFC-PKOBYXMFSA-N 2 2 374.529 2.568 10 0 FFAELP Cc1cc(C)n2c(C[NH+]3CC[C@H](C[N@@H+](C)Cc4cccnc4)C3)cnc2n1 ZINC000190489822 510161565 /nfs/dbraw/zinc/16/15/65/510161565.db2.gz LAIKPIVBNAMIRT-LJQANCHMSA-N 2 2 364.497 2.695 10 0 FFAELP Cc1cc(C)n2c(C[NH+]3CC[C@H](C[N@H+](C)Cc4cccnc4)C3)cnc2n1 ZINC000190489822 510161568 /nfs/dbraw/zinc/16/15/68/510161568.db2.gz LAIKPIVBNAMIRT-LJQANCHMSA-N 2 2 364.497 2.695 10 0 FFAELP Cc1cc(C)n2c(C[N@H+]3CC[C@H](C[NH+](C)Cc4cccnc4)C3)cnc2n1 ZINC000190489822 510161571 /nfs/dbraw/zinc/16/15/71/510161571.db2.gz LAIKPIVBNAMIRT-LJQANCHMSA-N 2 2 364.497 2.695 10 0 FFAELP Cc1cc(C)n2c(C[N@@H+]3CC[C@H](C[NH+](C)Cc4cccnc4)C3)cnc2n1 ZINC000190489822 510161574 /nfs/dbraw/zinc/16/15/74/510161574.db2.gz LAIKPIVBNAMIRT-LJQANCHMSA-N 2 2 364.497 2.695 10 0 FFAELP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000245930961 510214522 /nfs/dbraw/zinc/21/45/22/510214522.db2.gz IEHXXNZTPQFIHN-FUHWJXTLSA-N 2 2 371.460 2.637 10 0 FFAELP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000245930961 510214529 /nfs/dbraw/zinc/21/45/29/510214529.db2.gz IEHXXNZTPQFIHN-FUHWJXTLSA-N 2 2 371.460 2.637 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000177792876 510254927 /nfs/dbraw/zinc/25/49/27/510254927.db2.gz ZSGXRBJYWABTKN-MRXNPFEDSA-N 2 2 352.442 2.640 10 0 FFAELP Cc1nc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)sc1C ZINC000246156936 510327610 /nfs/dbraw/zinc/32/76/10/510327610.db2.gz QGZLOKWRUIWTNE-ZFWWWQNUSA-N 2 2 359.499 2.916 10 0 FFAELP 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ZINC000194599416 510438797 /nfs/dbraw/zinc/43/87/97/510438797.db2.gz FEJUXGDHFNYLPV-UHFFFAOYSA-N 2 2 358.511 2.573 10 0 FFAELP Cc1ccc2[nH+]c(CSCC(=O)N3CCC[N@H+](C4CC4)CC3)cn2c1 ZINC000194599416 510438803 /nfs/dbraw/zinc/43/88/03/510438803.db2.gz FEJUXGDHFNYLPV-UHFFFAOYSA-N 2 2 358.511 2.573 10 0 FFAELP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000175050780 510460200 /nfs/dbraw/zinc/46/02/00/510460200.db2.gz WJOZGAPPMGFYLJ-OXJNMPFZSA-N 2 2 370.497 2.843 10 0 FFAELP Cc1ccc([C@@H]2C[N@H+](C[C@@H](O)Cn3c[nH+]c4cc(C)c(C)cc43)CCO2)o1 ZINC000246488074 510515924 /nfs/dbraw/zinc/51/59/24/510515924.db2.gz JWNJUVBZUADBJN-UTKZUKDTSA-N 2 2 369.465 2.989 10 0 FFAELP Cc1ccc([C@@H]2C[N@@H+](C[C@@H](O)Cn3c[nH+]c4cc(C)c(C)cc43)CCO2)o1 ZINC000246488074 510515926 /nfs/dbraw/zinc/51/59/26/510515926.db2.gz JWNJUVBZUADBJN-UTKZUKDTSA-N 2 2 369.465 2.989 10 0 FFAELP Cc1cc(NC(=O)C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)n(C(C)(C)C)n1 ZINC000178324873 510546193 /nfs/dbraw/zinc/54/61/93/510546193.db2.gz YABAYMDPRVZXTI-INIZCTEOSA-N 2 2 358.490 2.555 10 0 FFAELP Cc1cc(NC(=O)C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)n(C(C)(C)C)n1 ZINC000178324873 510546200 /nfs/dbraw/zinc/54/62/00/510546200.db2.gz YABAYMDPRVZXTI-INIZCTEOSA-N 2 2 358.490 2.555 10 0 FFAELP COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H]3Cn3cc[nH+]c3C)no2)cc1 ZINC000178329039 510549057 /nfs/dbraw/zinc/54/90/57/510549057.db2.gz FYKUFHYAUZRRKO-MRXNPFEDSA-N 2 2 353.426 2.915 10 0 FFAELP COc1ccc(-c2nc(C[N@H+]3CCC[C@@H]3Cn3cc[nH+]c3C)no2)cc1 ZINC000178329039 510549066 /nfs/dbraw/zinc/54/90/66/510549066.db2.gz FYKUFHYAUZRRKO-MRXNPFEDSA-N 2 2 353.426 2.915 10 0 FFAELP CC(=O)c1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1 ZINC000178751950 510754660 /nfs/dbraw/zinc/75/46/60/510754660.db2.gz LFIJWVMDVBCHQJ-LJQANCHMSA-N 2 2 354.454 2.887 10 0 FFAELP CC(=O)c1ccc(NC(=O)CC[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1 ZINC000178751950 510754665 /nfs/dbraw/zinc/75/46/65/510754665.db2.gz LFIJWVMDVBCHQJ-LJQANCHMSA-N 2 2 354.454 2.887 10 0 FFAELP CC(C)N(C(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1)C(C)C ZINC000195277766 510755846 /nfs/dbraw/zinc/75/58/46/510755846.db2.gz BIHAKXJFPBZQJM-AZUAARDMSA-N 2 2 360.546 2.869 10 0 FFAELP CC(C)N(C(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1)C(C)C ZINC000195277766 510755857 /nfs/dbraw/zinc/75/58/57/510755857.db2.gz BIHAKXJFPBZQJM-AZUAARDMSA-N 2 2 360.546 2.869 10 0 FFAELP CC(C)N(C(=O)[C@H](C)[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1)C(C)C ZINC000195277766 510755867 /nfs/dbraw/zinc/75/58/67/510755867.db2.gz BIHAKXJFPBZQJM-AZUAARDMSA-N 2 2 360.546 2.869 10 0 FFAELP CC(C)N(C(=O)[C@H](C)[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1)C(C)C ZINC000195277766 510755876 /nfs/dbraw/zinc/75/58/76/510755876.db2.gz BIHAKXJFPBZQJM-AZUAARDMSA-N 2 2 360.546 2.869 10 0 FFAELP O=C(C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)N1CCc2ccccc2C1 ZINC000246986006 510783621 /nfs/dbraw/zinc/78/36/21/510783621.db2.gz WDMIVZHWSAAUGP-PZJWPPBQSA-N 2 2 353.510 2.520 10 0 FFAELP O=C(C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)N1CCc2ccccc2C1 ZINC000246986006 510783628 /nfs/dbraw/zinc/78/36/28/510783628.db2.gz WDMIVZHWSAAUGP-PZJWPPBQSA-N 2 2 353.510 2.520 10 0 FFAELP O=C(C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)N1CCc2ccccc2C1 ZINC000246986006 510783634 /nfs/dbraw/zinc/78/36/34/510783634.db2.gz WDMIVZHWSAAUGP-PZJWPPBQSA-N 2 2 353.510 2.520 10 0 FFAELP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000247323813 510857030 /nfs/dbraw/zinc/85/70/30/510857030.db2.gz MPCSOLKNCROQTH-WMLDXEAASA-N 2 2 359.449 2.539 10 0 FFAELP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000247323813 510857031 /nfs/dbraw/zinc/85/70/31/510857031.db2.gz MPCSOLKNCROQTH-WMLDXEAASA-N 2 2 359.449 2.539 10 0 FFAELP Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333833025 511368061 /nfs/dbraw/zinc/36/80/61/511368061.db2.gz MWKFYUDOSNRGGK-IRXDYDNUSA-N 2 2 355.486 2.661 10 0 FFAELP CCn1nc(C)c([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1C ZINC000484135355 516303035 /nfs/dbraw/zinc/30/30/35/516303035.db2.gz RQMQWNHGDDXEFE-IIBYNOLFSA-N 2 2 356.514 2.807 10 0 FFAELP CCn1nc(C)c([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000484135355 516303040 /nfs/dbraw/zinc/30/30/40/516303040.db2.gz RQMQWNHGDDXEFE-IIBYNOLFSA-N 2 2 356.514 2.807 10 0 FFAELP C[N@H+](Cc1cnn(-c2ccccc2)c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000106129444 250241339 /nfs/dbraw/zinc/24/13/39/250241339.db2.gz CDMZEUWXKMZCFG-UHFFFAOYSA-N 2 2 364.497 2.665 10 0 FFAELP C[N@@H+](Cc1cnn(-c2ccccc2)c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000106129444 250241342 /nfs/dbraw/zinc/24/13/42/250241342.db2.gz CDMZEUWXKMZCFG-UHFFFAOYSA-N 2 2 364.497 2.665 10 0 FFAELP Cn1cc[nH+]c1CC1CC[NH+](CC(=O)Nc2ccnn2C2CCCC2)CC1 ZINC000106165311 250246730 /nfs/dbraw/zinc/24/67/30/250246730.db2.gz PROKJFHMPYNZMA-UHFFFAOYSA-N 2 2 370.501 2.625 10 0 FFAELP CC(=O)c1c(C)[nH]c(C(=O)C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)c1C ZINC000106166184 250246899 /nfs/dbraw/zinc/24/68/99/250246899.db2.gz KUSZKKQNLPLNBU-UHFFFAOYSA-N 2 2 356.470 2.705 10 0 FFAELP Cn1cc[nH+]c1CC1CC[NH+](Cc2nc(Cc3ccccc3)no2)CC1 ZINC000106163737 250247406 /nfs/dbraw/zinc/24/74/06/250247406.db2.gz FMEMXZRXIMROAX-UHFFFAOYSA-N 2 2 351.454 2.849 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N[C@@H](C)c2ccccc2OC)C1 ZINC000106216182 250254698 /nfs/dbraw/zinc/25/46/98/250254698.db2.gz FQHFUBWROWXZBT-DLBZAZTESA-N 2 2 370.497 2.968 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N[C@@H](C)c2ccccc2OC)C1 ZINC000106216182 250254704 /nfs/dbraw/zinc/25/47/04/250254704.db2.gz FQHFUBWROWXZBT-DLBZAZTESA-N 2 2 370.497 2.968 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCS(=O)(=O)c2ccc(F)cc2)C1 ZINC000192577644 251291607 /nfs/dbraw/zinc/29/16/07/251291607.db2.gz KIGFCKWZRSUXOZ-INIZCTEOSA-N 2 2 365.474 2.695 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc(F)cc2)C1 ZINC000192577644 251291611 /nfs/dbraw/zinc/29/16/11/251291611.db2.gz KIGFCKWZRSUXOZ-INIZCTEOSA-N 2 2 365.474 2.695 10 0 FFAELP COc1ccc([C@H](O)Cn2c3ccccc3n(CCC[NH+](C)C)c2=[NH2+])cc1 ZINC000000789408 210271333 /nfs/dbraw/zinc/27/13/33/210271333.db2.gz ZXWUOZBMEJIDQG-HXUWFJFHSA-N 2 2 368.481 2.616 10 0 FFAELP COc1cccc2c1[nH+]cc(C)c2N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000302679666 258107687 /nfs/dbraw/zinc/10/76/87/258107687.db2.gz WDDGSGVOCZLJQU-UHFFFAOYSA-N 2 2 365.481 2.998 10 0 FFAELP COc1cccc2c1[nH+]cc(C)c2N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000302679666 258107688 /nfs/dbraw/zinc/10/76/88/258107688.db2.gz WDDGSGVOCZLJQU-UHFFFAOYSA-N 2 2 365.481 2.998 10 0 FFAELP CCc1noc([C@H](C)[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)n1 ZINC000330214981 258158874 /nfs/dbraw/zinc/15/88/74/258158874.db2.gz GPLVNRXOWLXOJZ-OAGGEKHMSA-N 2 2 350.507 2.904 10 0 FFAELP CC[NH+](CC)Cc1ccc(CNc2cc(N3CCC[C@H]3CO)nc[nH+]2)cc1 ZINC000110122685 508008953 /nfs/dbraw/zinc/00/89/53/508008953.db2.gz AVWQADGIOZFMGZ-IBGZPJMESA-N 2 2 369.513 2.892 10 0 FFAELP CC[NH+](CC)Cc1ccc(CNc2cc(N3CCC[C@H]3CO)[nH+]cn2)cc1 ZINC000110122685 508008956 /nfs/dbraw/zinc/00/89/56/508008956.db2.gz AVWQADGIOZFMGZ-IBGZPJMESA-N 2 2 369.513 2.892 10 0 FFAELP COCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000125313362 508963916 /nfs/dbraw/zinc/96/39/16/508963916.db2.gz JHJOZQIQNFHQQT-YOEHRIQHSA-N 2 2 352.442 2.796 10 0 FFAELP C[C@@H]1CCCN(c2cc(NC3CC[NH+]([C@@H]4CCCC[C@@H]4O)CC3)nc[nH+]2)C1 ZINC000132818612 509078800 /nfs/dbraw/zinc/07/88/00/509078800.db2.gz YRHQZTBUGLNSTC-QRQLOZEOSA-N 2 2 373.545 2.893 10 0 FFAELP C[C@@H]1CCCN(c2cc(NC3CC[NH+]([C@@H]4CCCC[C@@H]4O)CC3)[nH+]cn2)C1 ZINC000132818612 509078804 /nfs/dbraw/zinc/07/88/04/509078804.db2.gz YRHQZTBUGLNSTC-QRQLOZEOSA-N 2 2 373.545 2.893 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@@H](O)COCc2ccc(OC)cc2)C1 ZINC000247874029 509183677 /nfs/dbraw/zinc/18/36/77/509183677.db2.gz YEQUUIHBEGZHOT-RBUKOAKNSA-N 2 2 373.497 2.669 10 0 FFAELP CCCOCc1ccccc1CNC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248128379 509240999 /nfs/dbraw/zinc/24/09/99/509240999.db2.gz OFCJEWVQVWQPBE-PZJWPPBQSA-N 2 2 373.541 2.646 10 0 FFAELP CCCOCc1ccccc1CNC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248128379 509241008 /nfs/dbraw/zinc/24/10/08/509241008.db2.gz OFCJEWVQVWQPBE-PZJWPPBQSA-N 2 2 373.541 2.646 10 0 FFAELP CCCOCc1ccccc1CNC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248128379 509241015 /nfs/dbraw/zinc/24/10/15/509241015.db2.gz OFCJEWVQVWQPBE-PZJWPPBQSA-N 2 2 373.541 2.646 10 0 FFAELP CCCOCc1ccccc1CNC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248128379 509241022 /nfs/dbraw/zinc/24/10/22/509241022.db2.gz OFCJEWVQVWQPBE-PZJWPPBQSA-N 2 2 373.541 2.646 10 0 FFAELP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000248386616 509284614 /nfs/dbraw/zinc/28/46/14/509284614.db2.gz NELQGKMPZJIQFN-RVKKMQEKSA-N 2 2 361.486 2.509 10 0 FFAELP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2C[N@H+](C(C)C)C[C@H]2C)c1 ZINC000248386616 509284620 /nfs/dbraw/zinc/28/46/20/509284620.db2.gz NELQGKMPZJIQFN-RVKKMQEKSA-N 2 2 361.486 2.509 10 0 FFAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+]([C@H]2CCN(c3ccccc3)C2=O)C1 ZINC000248641069 509409414 /nfs/dbraw/zinc/40/94/14/509409414.db2.gz CHSNNUUQDVQTKA-CTNGQTDRSA-N 2 2 364.493 2.641 10 0 FFAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+]([C@H]2CCN(c3ccccc3)C2=O)C1 ZINC000248641069 509409422 /nfs/dbraw/zinc/40/94/22/509409422.db2.gz CHSNNUUQDVQTKA-CTNGQTDRSA-N 2 2 364.493 2.641 10 0 FFAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+]([C@H]2CCN(c3ccccc3)C2=O)C1 ZINC000248641069 509409439 /nfs/dbraw/zinc/40/94/39/509409439.db2.gz CHSNNUUQDVQTKA-CTNGQTDRSA-N 2 2 364.493 2.641 10 0 FFAELP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000248643867 509410234 /nfs/dbraw/zinc/41/02/34/509410234.db2.gz PJRODPYSMUTAGL-SESVDKBCSA-N 2 2 373.541 2.657 10 0 FFAELP CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000248643867 509410243 /nfs/dbraw/zinc/41/02/43/509410243.db2.gz PJRODPYSMUTAGL-SESVDKBCSA-N 2 2 373.541 2.657 10 0 FFAELP CCCC[NH+]1CCOC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000248643867 509410249 /nfs/dbraw/zinc/41/02/49/509410249.db2.gz PJRODPYSMUTAGL-SESVDKBCSA-N 2 2 373.541 2.657 10 0 FFAELP CCCC[NH+]1CCOC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000248643867 509410255 /nfs/dbraw/zinc/41/02/55/509410255.db2.gz PJRODPYSMUTAGL-SESVDKBCSA-N 2 2 373.541 2.657 10 0 FFAELP C[C@H](C(=O)NCC1CCCCC1)[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248661487 509423562 /nfs/dbraw/zinc/42/35/62/509423562.db2.gz XAHVWCIWTDKOMJ-NQIIRXRSSA-N 2 2 372.557 2.920 10 0 FFAELP C[C@H](C(=O)NCC1CCCCC1)[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248661487 509423567 /nfs/dbraw/zinc/42/35/67/509423567.db2.gz XAHVWCIWTDKOMJ-NQIIRXRSSA-N 2 2 372.557 2.920 10 0 FFAELP C[C@H](C(=O)NCC1CCCCC1)[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248661487 509423574 /nfs/dbraw/zinc/42/35/74/509423574.db2.gz XAHVWCIWTDKOMJ-NQIIRXRSSA-N 2 2 372.557 2.920 10 0 FFAELP C[C@H](C(=O)NCC1CCCCC1)[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248661487 509423581 /nfs/dbraw/zinc/42/35/81/509423581.db2.gz XAHVWCIWTDKOMJ-NQIIRXRSSA-N 2 2 372.557 2.920 10 0 FFAELP C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C3CC3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000248727055 509453150 /nfs/dbraw/zinc/45/31/50/509453150.db2.gz JDJGZYFFLXATLO-RBUKOAKNSA-N 2 2 363.452 2.701 10 0 FFAELP C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C3CC3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000248727055 509453156 /nfs/dbraw/zinc/45/31/56/509453156.db2.gz JDJGZYFFLXATLO-RBUKOAKNSA-N 2 2 363.452 2.701 10 0 FFAELP C[C@@H]1C[N@@H+](C2CC[NH+](Cc3cn(C)nc3-c3cccs3)CC2)CCO1 ZINC000179785273 509620472 /nfs/dbraw/zinc/62/04/72/509620472.db2.gz ZNDGBSNXOFSZLQ-OAHLLOKOSA-N 2 2 360.527 2.834 10 0 FFAELP C[C@@H]1C[N@H+](C2CC[NH+](Cc3cn(C)nc3-c3cccs3)CC2)CCO1 ZINC000179785273 509620481 /nfs/dbraw/zinc/62/04/81/509620481.db2.gz ZNDGBSNXOFSZLQ-OAHLLOKOSA-N 2 2 360.527 2.834 10 0 FFAELP C[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000249601260 509723449 /nfs/dbraw/zinc/72/34/49/509723449.db2.gz OJWPRLXQCHXKTH-FFGOWVMKSA-N 2 2 365.562 2.597 10 0 FFAELP C[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000249601260 509723452 /nfs/dbraw/zinc/72/34/52/509723452.db2.gz OJWPRLXQCHXKTH-FFGOWVMKSA-N 2 2 365.562 2.597 10 0 FFAELP O=C(C[N@@H+]1CCO[C@H]2CCCC[C@H]21)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000249725892 509744242 /nfs/dbraw/zinc/74/42/42/509744242.db2.gz PWPWFKDHAPTTIN-RTWAWAEBSA-N 2 2 371.525 2.542 10 0 FFAELP O=C(C[N@H+]1CCO[C@H]2CCCC[C@H]21)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000249725892 509744246 /nfs/dbraw/zinc/74/42/46/509744246.db2.gz PWPWFKDHAPTTIN-RTWAWAEBSA-N 2 2 371.525 2.542 10 0 FFAELP CSc1ccc(C[NH+]2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)cc1 ZINC000170941475 509859404 /nfs/dbraw/zinc/85/94/04/509859404.db2.gz QNCSMUKMHQVIEH-IBGZPJMESA-N 2 2 363.571 2.635 10 0 FFAELP CSc1ccc(C[NH+]2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)cc1 ZINC000170941475 509859411 /nfs/dbraw/zinc/85/94/11/509859411.db2.gz QNCSMUKMHQVIEH-IBGZPJMESA-N 2 2 363.571 2.635 10 0 FFAELP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c1 ZINC000245437128 509933780 /nfs/dbraw/zinc/93/37/80/509933780.db2.gz RKFUOGDDASOUJU-VQTJNVASSA-N 2 2 372.557 2.732 10 0 FFAELP Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c1 ZINC000245437128 509933784 /nfs/dbraw/zinc/93/37/84/509933784.db2.gz RKFUOGDDASOUJU-VQTJNVASSA-N 2 2 372.557 2.732 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000177221934 509945367 /nfs/dbraw/zinc/94/53/67/509945367.db2.gz UWBNUWOGELBLDI-OXJNMPFZSA-N 2 2 352.482 2.629 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000177221934 509945376 /nfs/dbraw/zinc/94/53/76/509945376.db2.gz UWBNUWOGELBLDI-OXJNMPFZSA-N 2 2 352.482 2.629 10 0 FFAELP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCC(=O)c2ccc(F)cc2F)CC1 ZINC000187005460 510000906 /nfs/dbraw/zinc/00/09/06/510000906.db2.gz VIHUSXZFKGGABV-QGZVFWFLSA-N 2 2 365.468 2.640 10 0 FFAELP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCC(=O)c2ccc(F)cc2F)CC1 ZINC000187005460 510000910 /nfs/dbraw/zinc/00/09/10/510000910.db2.gz VIHUSXZFKGGABV-QGZVFWFLSA-N 2 2 365.468 2.640 10 0 FFAELP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)c1ccco1 ZINC000177456935 510070216 /nfs/dbraw/zinc/07/02/16/510070216.db2.gz QEXHAMHPMGAWFY-IAGOWNOFSA-N 2 2 359.474 2.733 10 0 FFAELP COC(=O)c1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3scnc3C)C2)o1 ZINC000190465856 510147301 /nfs/dbraw/zinc/14/73/01/510147301.db2.gz SXWXLDMNRPMPPQ-AWEZNQCLSA-N 2 2 363.483 2.785 10 0 FFAELP COC(=O)c1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3scnc3C)C2)o1 ZINC000190465856 510147307 /nfs/dbraw/zinc/14/73/07/510147307.db2.gz SXWXLDMNRPMPPQ-AWEZNQCLSA-N 2 2 363.483 2.785 10 0 FFAELP COC(=O)c1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3scnc3C)C2)o1 ZINC000190465856 510147320 /nfs/dbraw/zinc/14/73/20/510147320.db2.gz SXWXLDMNRPMPPQ-AWEZNQCLSA-N 2 2 363.483 2.785 10 0 FFAELP CC(=O)Nc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)cc1 ZINC000190488833 510161754 /nfs/dbraw/zinc/16/17/54/510161754.db2.gz JBCORCCICJELHA-FQEVSTJZSA-N 2 2 352.482 2.994 10 0 FFAELP CC(=O)Nc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)cc1 ZINC000190488833 510161756 /nfs/dbraw/zinc/16/17/56/510161756.db2.gz JBCORCCICJELHA-FQEVSTJZSA-N 2 2 352.482 2.994 10 0 FFAELP CC(=O)Nc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)cc1 ZINC000190488833 510161759 /nfs/dbraw/zinc/16/17/59/510161759.db2.gz JBCORCCICJELHA-FQEVSTJZSA-N 2 2 352.482 2.994 10 0 FFAELP CC(=O)Nc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)cc1 ZINC000190488833 510161761 /nfs/dbraw/zinc/16/17/61/510161761.db2.gz JBCORCCICJELHA-FQEVSTJZSA-N 2 2 352.482 2.994 10 0 FFAELP Cc1ccsc1CNC(=O)C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000171649131 510278241 /nfs/dbraw/zinc/27/82/41/510278241.db2.gz XMGXLMLQPBRJRE-MRXNPFEDSA-N 2 2 358.511 2.810 10 0 FFAELP Cc1ccsc1CNC(=O)C[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000171649131 510278249 /nfs/dbraw/zinc/27/82/49/510278249.db2.gz XMGXLMLQPBRJRE-MRXNPFEDSA-N 2 2 358.511 2.810 10 0 FFAELP Cc1c(-c2cc(C[N@@H+]3CC[C@H](CNc4cccc[nH+]4)C3)on2)cnn1C ZINC000184566799 510392212 /nfs/dbraw/zinc/39/22/12/510392212.db2.gz ACXZSGYOWPPEOA-OAHLLOKOSA-N 2 2 352.442 2.713 10 0 FFAELP Cc1c(-c2cc(C[N@H+]3CC[C@H](CNc4cccc[nH+]4)C3)on2)cnn1C ZINC000184566799 510392219 /nfs/dbraw/zinc/39/22/19/510392219.db2.gz ACXZSGYOWPPEOA-OAHLLOKOSA-N 2 2 352.442 2.713 10 0 FFAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H]2CCc3ccc(OC)cc32)nc[nH+]1 ZINC000246277429 510402608 /nfs/dbraw/zinc/40/26/08/510402608.db2.gz BEJQURSIMMVVBD-QAPCUYQASA-N 2 2 353.470 2.773 10 0 FFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)N1CCSc2ccccc21 ZINC000178333576 510551339 /nfs/dbraw/zinc/55/13/39/510551339.db2.gz XGIPIQCBIFZWPC-INIZCTEOSA-N 2 2 356.495 2.795 10 0 FFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)N1CCSc2ccccc21 ZINC000178333576 510551346 /nfs/dbraw/zinc/55/13/46/510551346.db2.gz XGIPIQCBIFZWPC-INIZCTEOSA-N 2 2 356.495 2.795 10 0 FFAELP C[C@@H](c1ccc(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1)[NH+]1CCOCC1 ZINC000246650154 510601163 /nfs/dbraw/zinc/60/11/63/510601163.db2.gz FRXLFNDMCTZBOD-PXNSSMCTSA-N 2 2 372.513 2.782 10 0 FFAELP C[C@@H](c1ccc(NC(=O)N2CC[N@H+]3CCCC[C@H]3C2)cc1)[NH+]1CCOCC1 ZINC000246650154 510601169 /nfs/dbraw/zinc/60/11/69/510601169.db2.gz FRXLFNDMCTZBOD-PXNSSMCTSA-N 2 2 372.513 2.782 10 0 FFAELP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1)C2 ZINC000246746057 510649960 /nfs/dbraw/zinc/64/99/60/510649960.db2.gz MNBDUWOWSOYRFK-HZPDHXFCSA-N 2 2 361.534 2.732 10 0 FFAELP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1)C2 ZINC000246746057 510649964 /nfs/dbraw/zinc/64/99/64/510649964.db2.gz MNBDUWOWSOYRFK-HZPDHXFCSA-N 2 2 361.534 2.732 10 0 FFAELP Cc1ccc(C(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)cc1Oc1cc[nH+]cc1 ZINC000246778236 510670441 /nfs/dbraw/zinc/67/04/41/510670441.db2.gz PVMDRDUPPKOEAB-SJORKVTESA-N 2 2 369.465 2.709 10 0 FFAELP Cc1ccc(C(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)cc1Oc1cc[nH+]cc1 ZINC000246778236 510670448 /nfs/dbraw/zinc/67/04/48/510670448.db2.gz PVMDRDUPPKOEAB-SJORKVTESA-N 2 2 369.465 2.709 10 0 FFAELP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000246814036 510689789 /nfs/dbraw/zinc/68/97/89/510689789.db2.gz CFVHWEOUXCSVCW-HKUYNNGSSA-N 2 2 371.529 2.840 10 0 FFAELP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000246814036 510689794 /nfs/dbraw/zinc/68/97/94/510689794.db2.gz CFVHWEOUXCSVCW-HKUYNNGSSA-N 2 2 371.529 2.840 10 0 FFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000246932699 510754829 /nfs/dbraw/zinc/75/48/29/510754829.db2.gz HDWNSZSUAVWDCS-RBUKOAKNSA-N 2 2 363.889 2.887 10 0 FFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000246932699 510754834 /nfs/dbraw/zinc/75/48/34/510754834.db2.gz HDWNSZSUAVWDCS-RBUKOAKNSA-N 2 2 363.889 2.887 10 0 FFAELP C[C@H]1C[NH+](Cc2ccccc2NC(=O)N2CCC3(CC[NH2+]3)CC2)C[C@H](C)O1 ZINC000333345799 511211422 /nfs/dbraw/zinc/21/14/22/511211422.db2.gz ZFLCIZQFWLXIPW-IRXDYDNUSA-N 2 2 372.513 2.656 10 0 FFAELP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc(Br)c2)CC1 ZINC000182572738 729281936 /nfs/dbraw/zinc/28/19/36/729281936.db2.gz RRJSIZKIRNTKBS-UONOGXRCSA-N 2 2 368.319 2.652 10 0 FFAELP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cccn3Cc3cccs3)C2)CC1 ZINC000093132695 250016932 /nfs/dbraw/zinc/01/69/32/250016932.db2.gz HAHFNZNQEZWDEE-IBGZPJMESA-N 2 2 358.555 2.810 10 0 FFAELP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cccn3Cc3cccs3)C2)CC1 ZINC000093132695 250016940 /nfs/dbraw/zinc/01/69/40/250016940.db2.gz HAHFNZNQEZWDEE-IBGZPJMESA-N 2 2 358.555 2.810 10 0 FFAELP Cn1cc[nH+]c1CC1CC[NH+](CC(=O)N[C@@H](c2ccccc2)C2CC2)CC1 ZINC000106164331 250245368 /nfs/dbraw/zinc/24/53/68/250245368.db2.gz LAQQHTYOTXGBCT-QFIPXVFZSA-N 2 2 366.509 2.942 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NCc2ccccc2F)C1 ZINC000106213826 250255267 /nfs/dbraw/zinc/25/52/67/250255267.db2.gz ICTGVEHHWIKQIM-RDJZCZTQSA-N 2 2 358.461 2.926 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)NCc2ccccc2F)C1 ZINC000106213826 250255273 /nfs/dbraw/zinc/25/52/73/250255273.db2.gz ICTGVEHHWIKQIM-RDJZCZTQSA-N 2 2 358.461 2.926 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)Nc2cccc(C(C)=O)c2)C1 ZINC000106217462 250258863 /nfs/dbraw/zinc/25/88/63/250258863.db2.gz MRTNZAYNJKHSQF-SFHVURJKSA-N 2 2 354.454 2.924 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(C(C)=O)c2)C1 ZINC000106217462 250258866 /nfs/dbraw/zinc/25/88/66/250258866.db2.gz MRTNZAYNJKHSQF-SFHVURJKSA-N 2 2 354.454 2.924 10 0 FFAELP C[C@@H](c1ccc(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1)[NH+]1CCOCC1 ZINC000118030741 250372442 /nfs/dbraw/zinc/37/24/42/250372442.db2.gz FRXLFNDMCTZBOD-FXAWDEMLSA-N 2 2 372.513 2.782 10 0 FFAELP C[C@@H](c1ccc(NC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cc1)[NH+]1CCOCC1 ZINC000118030741 250372444 /nfs/dbraw/zinc/37/24/44/250372444.db2.gz FRXLFNDMCTZBOD-FXAWDEMLSA-N 2 2 372.513 2.782 10 0 FFAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+]([C@@H](C)c3nc4ccccc4o3)CC2)C1 ZINC000181095591 251240812 /nfs/dbraw/zinc/24/08/12/251240812.db2.gz XCXLNIUDHVUEMK-ROUUACIJSA-N 2 2 372.513 2.616 10 0 FFAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+]([C@@H](C)c3nc4ccccc4o3)CC2)C1 ZINC000181095591 251240823 /nfs/dbraw/zinc/24/08/23/251240823.db2.gz XCXLNIUDHVUEMK-ROUUACIJSA-N 2 2 372.513 2.616 10 0 FFAELP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@](C)([NH3+])c2ccccc2)cc1F ZINC000192523061 251283956 /nfs/dbraw/zinc/28/39/56/251283956.db2.gz HAUBAWLMYURILJ-FQEVSTJZSA-N 2 2 352.413 2.810 10 0 FFAELP C[N@H+](CCNC(=O)CCc1cc[nH+]c(N2CCCC2)c1)C1CCCCC1 ZINC000065269700 221191644 /nfs/dbraw/zinc/19/16/44/221191644.db2.gz OHMXHCSNBKKDQP-UHFFFAOYSA-N 2 2 358.530 2.995 10 0 FFAELP C[N@@H+](CCNC(=O)CCc1cc[nH+]c(N2CCCC2)c1)C1CCCCC1 ZINC000065269700 221191645 /nfs/dbraw/zinc/19/16/45/221191645.db2.gz OHMXHCSNBKKDQP-UHFFFAOYSA-N 2 2 358.530 2.995 10 0 FFAELP Cc1cccc(NC[C@H]2CCN(c3cc(N4CCSCC4)nc[nH+]3)C2)[nH+]1 ZINC000277635595 256220122 /nfs/dbraw/zinc/22/01/22/256220122.db2.gz XKARFKDUCRDSNZ-MRXNPFEDSA-N 2 2 370.526 2.672 10 0 FFAELP Cc1cccc(NC[C@H]2CCN(c3cc(N4CCSCC4)[nH+]cn3)C2)[nH+]1 ZINC000277635595 256220123 /nfs/dbraw/zinc/22/01/23/256220123.db2.gz XKARFKDUCRDSNZ-MRXNPFEDSA-N 2 2 370.526 2.672 10 0 FFAELP Cc1nc(N2C[C@@H]3OCC[N@H+](Cc4ccccc4)[C@H]3C2)c2c([nH+]1)CCCC2 ZINC000302081672 258086890 /nfs/dbraw/zinc/08/68/90/258086890.db2.gz JJABIRSQZYRBNX-SFTDATJTSA-N 2 2 364.493 2.753 10 0 FFAELP Cc1nc(N2C[C@@H]3OCC[N@@H+](Cc4ccccc4)[C@H]3C2)c2c([nH+]1)CCCC2 ZINC000302081672 258086891 /nfs/dbraw/zinc/08/68/91/258086891.db2.gz JJABIRSQZYRBNX-SFTDATJTSA-N 2 2 364.493 2.753 10 0 FFAELP C[NH+](C)C[C@@H](NC(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccccc1 ZINC000056894722 507117609 /nfs/dbraw/zinc/11/76/09/507117609.db2.gz HISAOGPECVJWOL-LJQANCHMSA-N 2 2 363.465 2.974 10 0 FFAELP O=C(NC1CCN(c2cccc[nH+]2)CC1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107834682 507869759 /nfs/dbraw/zinc/86/97/59/507869759.db2.gz ANFWGYYNZIHIGL-LJQANCHMSA-N 2 2 371.529 2.710 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000109677414 507980004 /nfs/dbraw/zinc/98/00/04/507980004.db2.gz JHNPHYOUMWTAGW-INIZCTEOSA-N 2 2 350.426 2.504 10 0 FFAELP CC[NH+](CC)Cc1cccc(CNc2cc(N3CCC[C@H]3CO)nc[nH+]2)c1 ZINC000110232460 508015371 /nfs/dbraw/zinc/01/53/71/508015371.db2.gz DDECXEWSOOKFSW-IBGZPJMESA-N 2 2 369.513 2.892 10 0 FFAELP CC[NH+](CC)Cc1cccc(CNc2cc(N3CCC[C@H]3CO)[nH+]cn2)c1 ZINC000110232460 508015373 /nfs/dbraw/zinc/01/53/73/508015373.db2.gz DDECXEWSOOKFSW-IBGZPJMESA-N 2 2 369.513 2.892 10 0 FFAELP C[C@H]1C[N@@H+](C2CC[NH+](Cc3c[nH]nc3-c3ccc(F)cc3)CC2)CCO1 ZINC000092079486 508041321 /nfs/dbraw/zinc/04/13/21/508041321.db2.gz WENBAKOSMWINBT-HNNXBMFYSA-N 2 2 358.461 2.901 10 0 FFAELP C[C@H]1C[N@H+](C2CC[NH+](Cc3c[nH]nc3-c3ccc(F)cc3)CC2)CCO1 ZINC000092079486 508041327 /nfs/dbraw/zinc/04/13/27/508041327.db2.gz WENBAKOSMWINBT-HNNXBMFYSA-N 2 2 358.461 2.901 10 0 FFAELP C[C@@H](NC(=O)N1CCC[N@@H+](C2CC2)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000074876686 508066705 /nfs/dbraw/zinc/06/67/05/508066705.db2.gz AZJOAEDPEMHFAS-MRXNPFEDSA-N 2 2 353.470 2.813 10 0 FFAELP C[C@@H](NC(=O)N1CCC[N@H+](C2CC2)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000074876686 508066707 /nfs/dbraw/zinc/06/67/07/508066707.db2.gz AZJOAEDPEMHFAS-MRXNPFEDSA-N 2 2 353.470 2.813 10 0 FFAELP CC(C)C[C@H](C[NH+](C)C)NC(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000083710908 508252941 /nfs/dbraw/zinc/25/29/41/508252941.db2.gz CFLXUCWEZYRHSQ-LJQANCHMSA-N 2 2 371.529 2.901 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)NCC2(c3ccccc3)CC2)C1 ZINC000106214126 508397983 /nfs/dbraw/zinc/39/79/83/508397983.db2.gz HWJNGJVJNCDLHH-LJQANCHMSA-N 2 2 366.509 2.930 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)NCC2(c3ccccc3)CC2)C1 ZINC000106214126 508397984 /nfs/dbraw/zinc/39/79/84/508397984.db2.gz HWJNGJVJNCDLHH-LJQANCHMSA-N 2 2 366.509 2.930 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NCCCNc2cccc[nH+]2)C1 ZINC000152266884 508412259 /nfs/dbraw/zinc/41/22/59/508412259.db2.gz LDMNTFWJMSNBNV-INIZCTEOSA-N 2 2 356.474 2.689 10 0 FFAELP Cc1nc2n(n1)CCC[C@H]2[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000151096425 508956025 /nfs/dbraw/zinc/95/60/25/508956025.db2.gz CTPHHJWOZDRRMU-LJQANCHMSA-N 2 2 368.529 2.742 10 0 FFAELP Cc1cn2c(C[N@@H+](C)C3CC[NH+](CCn4cccn4)CC3)c(C)nc2s1 ZINC000121230022 509154010 /nfs/dbraw/zinc/15/40/10/509154010.db2.gz SMLRJKWAQSPHEA-UHFFFAOYSA-N 2 2 372.542 2.806 10 0 FFAELP Cc1cn2c(C[N@H+](C)C3CC[NH+](CCn4cccn4)CC3)c(C)nc2s1 ZINC000121230022 509154013 /nfs/dbraw/zinc/15/40/13/509154013.db2.gz SMLRJKWAQSPHEA-UHFFFAOYSA-N 2 2 372.542 2.806 10 0 FFAELP Cc1cc2[nH+]cn(C[C@@H](O)C[NH+]3CCC(c4cc[nH]n4)CC3)c2cc1C ZINC000195507190 509200241 /nfs/dbraw/zinc/20/02/41/509200241.db2.gz WYUWLPXGYYRKEZ-KRWDZBQOSA-N 2 2 353.470 2.617 10 0 FFAELP Cc1ccc([C@@H]2CCCCN2C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)o1 ZINC000179306173 509366003 /nfs/dbraw/zinc/36/60/03/509366003.db2.gz IWWDSZKVXUGKBV-SFHVURJKSA-N 2 2 362.518 2.851 10 0 FFAELP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000248635301 509404325 /nfs/dbraw/zinc/40/43/25/509404325.db2.gz KFEADHKIWIKPMK-WIYYLYMNSA-N 2 2 373.541 2.829 10 0 FFAELP CCCC[N@H+]1CCOC[C@@H]1C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000248635301 509404334 /nfs/dbraw/zinc/40/43/34/509404334.db2.gz KFEADHKIWIKPMK-WIYYLYMNSA-N 2 2 373.541 2.829 10 0 FFAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@@H](O)CCc2ccccc2)C1 ZINC000248655606 509421795 /nfs/dbraw/zinc/42/17/95/509421795.db2.gz QOMKAMLAPODAGN-YADHBBJMSA-N 2 2 353.510 2.829 10 0 FFAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@@H](O)CCc2ccccc2)C1 ZINC000248655606 509421802 /nfs/dbraw/zinc/42/18/02/509421802.db2.gz QOMKAMLAPODAGN-YADHBBJMSA-N 2 2 353.510 2.829 10 0 FFAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](C[C@@H](O)CCc2ccccc2)C1 ZINC000248655606 509421809 /nfs/dbraw/zinc/42/18/09/509421809.db2.gz QOMKAMLAPODAGN-YADHBBJMSA-N 2 2 353.510 2.829 10 0 FFAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](C[C@@H](O)CCc2ccccc2)C1 ZINC000248655606 509421814 /nfs/dbraw/zinc/42/18/14/509421814.db2.gz QOMKAMLAPODAGN-YADHBBJMSA-N 2 2 353.510 2.829 10 0 FFAELP CCN(C(=O)[C@H](C)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000182889542 509478431 /nfs/dbraw/zinc/47/84/31/509478431.db2.gz IEURDGLORZFRLA-FPOVZHCZSA-N 2 2 372.557 2.530 10 0 FFAELP C[C@H]1CC[N@H+](CCC(=O)N2CCc3ccccc3C2)C[C@H]1n1cc[nH+]c1 ZINC000249312659 509655112 /nfs/dbraw/zinc/65/51/12/509655112.db2.gz DZUQNGUWJZZCGC-FXAWDEMLSA-N 2 2 352.482 2.741 10 0 FFAELP C[C@H]1CC[N@@H+](CCC(=O)N2CCc3ccccc3C2)C[C@H]1n1cc[nH+]c1 ZINC000249312659 509655116 /nfs/dbraw/zinc/65/51/16/509655116.db2.gz DZUQNGUWJZZCGC-FXAWDEMLSA-N 2 2 352.482 2.741 10 0 FFAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](Cc3ccc(Cl)s3)CC2)C1 ZINC000170941506 509859784 /nfs/dbraw/zinc/85/97/84/509859784.db2.gz TZFRBUZRAQDFBZ-OAHLLOKOSA-N 2 2 357.951 2.628 10 0 FFAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](Cc3ccc(Cl)s3)CC2)C1 ZINC000170941506 509859791 /nfs/dbraw/zinc/85/97/91/509859791.db2.gz TZFRBUZRAQDFBZ-OAHLLOKOSA-N 2 2 357.951 2.628 10 0 FFAELP Cc1c[nH+]c(CC[C@@H]2CCCN2C(=O)c2ccc(Cn3cc[nH+]c3)o2)n1C ZINC000257177997 509946528 /nfs/dbraw/zinc/94/65/28/509946528.db2.gz YSQBTKUULBQILL-INIZCTEOSA-N 2 2 367.453 2.804 10 0 FFAELP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177379443 510023695 /nfs/dbraw/zinc/02/36/95/510023695.db2.gz MMLBNOVNEVXIFW-GOSISDBHSA-N 2 2 368.485 2.643 10 0 FFAELP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@@H](O)c3ccc(Cl)cc3Cl)C2)CC1 ZINC000245628467 510047658 /nfs/dbraw/zinc/04/76/58/510047658.db2.gz GZZZHEUJMQYBIS-CRAIPNDOSA-N 2 2 372.340 2.739 10 0 FFAELP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@@H](O)c3ccc(Cl)cc3Cl)C2)CC1 ZINC000245628467 510047668 /nfs/dbraw/zinc/04/76/68/510047668.db2.gz GZZZHEUJMQYBIS-CRAIPNDOSA-N 2 2 372.340 2.739 10 0 FFAELP Cc1ccc(C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)cc1Oc1cc[nH+]cc1 ZINC000174313809 510055493 /nfs/dbraw/zinc/05/54/93/510055493.db2.gz PVMDRDUPPKOEAB-IAGOWNOFSA-N 2 2 369.465 2.709 10 0 FFAELP Cc1ccc(C(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)cc1Oc1cc[nH+]cc1 ZINC000174313809 510055496 /nfs/dbraw/zinc/05/54/96/510055496.db2.gz PVMDRDUPPKOEAB-IAGOWNOFSA-N 2 2 369.465 2.709 10 0 FFAELP C[C@@H](CCNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)[N@H+](C)Cc1ccccc1 ZINC000177587068 510147139 /nfs/dbraw/zinc/14/71/39/510147139.db2.gz RIMKCWICQLBUPB-AZUAARDMSA-N 2 2 369.513 2.968 10 0 FFAELP C[C@@H](CCNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)[N@@H+](C)Cc1ccccc1 ZINC000177587068 510147145 /nfs/dbraw/zinc/14/71/45/510147145.db2.gz RIMKCWICQLBUPB-AZUAARDMSA-N 2 2 369.513 2.968 10 0 FFAELP CCc1nn(C)c(Cl)c1C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190481982 510155606 /nfs/dbraw/zinc/15/56/06/510155606.db2.gz DJMDMRXCWLRZEL-MRXNPFEDSA-N 2 2 361.921 2.985 10 0 FFAELP CCc1nn(C)c(Cl)c1C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190481982 510155617 /nfs/dbraw/zinc/15/56/17/510155617.db2.gz DJMDMRXCWLRZEL-MRXNPFEDSA-N 2 2 361.921 2.985 10 0 FFAELP CCc1nn(C)c(Cl)c1C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190481982 510155622 /nfs/dbraw/zinc/15/56/22/510155622.db2.gz DJMDMRXCWLRZEL-MRXNPFEDSA-N 2 2 361.921 2.985 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000177792893 510255270 /nfs/dbraw/zinc/25/52/70/510255270.db2.gz ZSGXRBJYWABTKN-INIZCTEOSA-N 2 2 352.442 2.640 10 0 FFAELP CCOc1cccc(CNC(=O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000171641216 510269948 /nfs/dbraw/zinc/26/99/48/510269948.db2.gz SQQPHSOKCAYHRL-SFHVURJKSA-N 2 2 368.481 2.531 10 0 FFAELP CCOc1cccc(CNC(=O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000171641216 510269951 /nfs/dbraw/zinc/26/99/51/510269951.db2.gz SQQPHSOKCAYHRL-SFHVURJKSA-N 2 2 368.481 2.531 10 0 FFAELP Cc1nc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)sc1C ZINC000171642154 510270931 /nfs/dbraw/zinc/27/09/31/510270931.db2.gz QGZLOKWRUIWTNE-UKRRQHHQSA-N 2 2 359.499 2.916 10 0 FFAELP Cc1nc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)sc1C ZINC000171642154 510270938 /nfs/dbraw/zinc/27/09/38/510270938.db2.gz QGZLOKWRUIWTNE-UKRRQHHQSA-N 2 2 359.499 2.916 10 0 FFAELP COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171644643 510272550 /nfs/dbraw/zinc/27/25/50/510272550.db2.gz YHUPERAZCMNOBD-HZPDHXFCSA-N 2 2 354.454 2.851 10 0 FFAELP COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171644643 510272553 /nfs/dbraw/zinc/27/25/53/510272553.db2.gz YHUPERAZCMNOBD-HZPDHXFCSA-N 2 2 354.454 2.851 10 0 FFAELP Cc1ccccc1CN(C)C(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171646088 510274356 /nfs/dbraw/zinc/27/43/56/510274356.db2.gz DKMNTMLDRDCFKF-GOSISDBHSA-N 2 2 352.482 2.782 10 0 FFAELP Cc1ccccc1CN(C)C(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171646088 510274362 /nfs/dbraw/zinc/27/43/62/510274362.db2.gz DKMNTMLDRDCFKF-GOSISDBHSA-N 2 2 352.482 2.782 10 0 FFAELP CN(Cc1ccccc1F)C(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171645426 510274809 /nfs/dbraw/zinc/27/48/09/510274809.db2.gz NFQNVJLWNJLDMV-MRXNPFEDSA-N 2 2 356.445 2.613 10 0 FFAELP CN(Cc1ccccc1F)C(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171645426 510274815 /nfs/dbraw/zinc/27/48/15/510274815.db2.gz NFQNVJLWNJLDMV-MRXNPFEDSA-N 2 2 356.445 2.613 10 0 FFAELP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3nc4ccccc4c(=O)n3C)C2)[nH+]1 ZINC000171650803 510280127 /nfs/dbraw/zinc/28/01/27/510280127.db2.gz HCMRAVFUQNMELF-INIZCTEOSA-N 2 2 363.465 2.571 10 0 FFAELP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3nc4ccccc4c(=O)n3C)C2)[nH+]1 ZINC000171650803 510280132 /nfs/dbraw/zinc/28/01/32/510280132.db2.gz HCMRAVFUQNMELF-INIZCTEOSA-N 2 2 363.465 2.571 10 0 FFAELP C[C@H](CN1CCOCC1)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000246099059 510291759 /nfs/dbraw/zinc/29/17/59/510291759.db2.gz OKBXJKWTPOYFTF-HJNYFJLDSA-N 2 2 357.542 2.694 10 0 FFAELP C[C@H](CN1CCOCC1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000246099059 510291763 /nfs/dbraw/zinc/29/17/63/510291763.db2.gz OKBXJKWTPOYFTF-HJNYFJLDSA-N 2 2 357.542 2.694 10 0 FFAELP C[C@H](CN1CCOCC1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000246099059 510291771 /nfs/dbraw/zinc/29/17/71/510291771.db2.gz OKBXJKWTPOYFTF-HJNYFJLDSA-N 2 2 357.542 2.694 10 0 FFAELP C[C@H](CN1CCOCC1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000246099059 510291776 /nfs/dbraw/zinc/29/17/76/510291776.db2.gz OKBXJKWTPOYFTF-HJNYFJLDSA-N 2 2 357.542 2.694 10 0 FFAELP Cc1[nH]c2ccccc2c1C(=O)C[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000174879255 510361002 /nfs/dbraw/zinc/36/10/02/510361002.db2.gz YVHSNVQMXFQPEY-GOSISDBHSA-N 2 2 368.525 2.761 10 0 FFAELP Cc1[nH]c2ccccc2c1C(=O)C[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000174879255 510361016 /nfs/dbraw/zinc/36/10/16/510361016.db2.gz YVHSNVQMXFQPEY-GOSISDBHSA-N 2 2 368.525 2.761 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@@H](O)COc2cccc(C(C)=O)c2)C1 ZINC000246214859 510368837 /nfs/dbraw/zinc/36/88/37/510368837.db2.gz ATDZVRJSXSXIPA-RTBURBONSA-N 2 2 371.481 2.725 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@@H](O)COc2cccc(C(C)=O)c2)C1 ZINC000246214859 510368845 /nfs/dbraw/zinc/36/88/45/510368845.db2.gz ATDZVRJSXSXIPA-RTBURBONSA-N 2 2 371.481 2.725 10 0 FFAELP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000175050763 510460166 /nfs/dbraw/zinc/46/01/66/510460166.db2.gz WJOZGAPPMGFYLJ-JXFKEZNVSA-N 2 2 370.497 2.843 10 0 FFAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)nc[nH+]1 ZINC000246423330 510482804 /nfs/dbraw/zinc/48/28/04/510482804.db2.gz NJJQHLVIPXLJNL-YGCGBWEQSA-N 2 2 373.526 2.575 10 0 FFAELP CN(Cc1ccccc1F)C(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246506938 510526828 /nfs/dbraw/zinc/52/68/28/510526828.db2.gz IALCXQVQEXCSKW-FXAWDEMLSA-N 2 2 359.489 2.733 10 0 FFAELP CN(Cc1ccccc1F)C(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246506938 510526834 /nfs/dbraw/zinc/52/68/34/510526834.db2.gz IALCXQVQEXCSKW-FXAWDEMLSA-N 2 2 359.489 2.733 10 0 FFAELP CN(Cc1ccccc1F)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246506938 510526838 /nfs/dbraw/zinc/52/68/38/510526838.db2.gz IALCXQVQEXCSKW-FXAWDEMLSA-N 2 2 359.489 2.733 10 0 FFAELP CN(Cc1ccccc1F)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246506938 510526844 /nfs/dbraw/zinc/52/68/44/510526844.db2.gz IALCXQVQEXCSKW-FXAWDEMLSA-N 2 2 359.489 2.733 10 0 FFAELP Cc1ccc2[nH+]c(CSCC(=O)N3CC[N@@H+]4CCCC[C@H]4C3)cn2c1 ZINC000195247670 510737212 /nfs/dbraw/zinc/73/72/12/510737212.db2.gz UYDZDZWTRLQWTO-KRWDZBQOSA-N 2 2 358.511 2.573 10 0 FFAELP Cc1ccc2[nH+]c(CSCC(=O)N3CC[N@H+]4CCCC[C@H]4C3)cn2c1 ZINC000195247670 510737219 /nfs/dbraw/zinc/73/72/19/510737219.db2.gz UYDZDZWTRLQWTO-KRWDZBQOSA-N 2 2 358.511 2.573 10 0 FFAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2CCCN(C(C)C)C2=O)C1 ZINC000195263257 510744848 /nfs/dbraw/zinc/74/48/48/510744848.db2.gz YPBOOJVJADMGEP-DLBZAZTESA-N 2 2 364.559 2.605 10 0 FFAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2CCCN(C(C)C)C2=O)C1 ZINC000195263257 510744851 /nfs/dbraw/zinc/74/48/51/510744851.db2.gz YPBOOJVJADMGEP-DLBZAZTESA-N 2 2 364.559 2.605 10 0 FFAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCCN(C(C)C)C2=O)C1 ZINC000195263257 510744854 /nfs/dbraw/zinc/74/48/54/510744854.db2.gz YPBOOJVJADMGEP-DLBZAZTESA-N 2 2 364.559 2.605 10 0 FFAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCCN(C(C)C)C2=O)C1 ZINC000195263257 510744857 /nfs/dbraw/zinc/74/48/57/510744857.db2.gz YPBOOJVJADMGEP-DLBZAZTESA-N 2 2 364.559 2.605 10 0 FFAELP CN(Cc1ccc(F)cc1)C(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247009197 510796026 /nfs/dbraw/zinc/79/60/26/510796026.db2.gz XIZMBNTZURNQTO-PXNSSMCTSA-N 2 2 359.489 2.733 10 0 FFAELP CN(Cc1ccc(F)cc1)C(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247009197 510796029 /nfs/dbraw/zinc/79/60/29/510796029.db2.gz XIZMBNTZURNQTO-PXNSSMCTSA-N 2 2 359.489 2.733 10 0 FFAELP CN(Cc1ccc(F)cc1)C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000247009197 510796032 /nfs/dbraw/zinc/79/60/32/510796032.db2.gz XIZMBNTZURNQTO-PXNSSMCTSA-N 2 2 359.489 2.733 10 0 FFAELP CN(Cc1ccc(F)cc1)C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000247009197 510796036 /nfs/dbraw/zinc/79/60/36/510796036.db2.gz XIZMBNTZURNQTO-PXNSSMCTSA-N 2 2 359.489 2.733 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)NCc2ccccc2F)C1 ZINC000247578607 510866382 /nfs/dbraw/zinc/86/63/82/510866382.db2.gz ICTGVEHHWIKQIM-WBVHZDCISA-N 2 2 358.461 2.926 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)NCc2ccccc2F)C1 ZINC000247578607 510866383 /nfs/dbraw/zinc/86/63/83/510866383.db2.gz ICTGVEHHWIKQIM-WBVHZDCISA-N 2 2 358.461 2.926 10 0 FFAELP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCc2cn3c([nH+]2)CCCC3)C1 ZINC000332748380 511098294 /nfs/dbraw/zinc/09/82/94/511098294.db2.gz VWYZBTZDHCNBJW-WMZOPIPTSA-N 2 2 367.497 2.854 10 0 FFAELP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCc2cn3c([nH+]2)CCCC3)C1 ZINC000332748380 511098296 /nfs/dbraw/zinc/09/82/96/511098296.db2.gz VWYZBTZDHCNBJW-WMZOPIPTSA-N 2 2 367.497 2.854 10 0 FFAELP Cn1cc[nH+]c1CC1CC[NH+](CC(=O)NCc2cccc(Cl)c2)CC1 ZINC000106165660 250246664 /nfs/dbraw/zinc/24/66/64/250246664.db2.gz FJGFARWYMHCWLR-UHFFFAOYSA-N 2 2 360.889 2.644 10 0 FFAELP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000106540148 250276033 /nfs/dbraw/zinc/27/60/33/250276033.db2.gz XDALFNAEENLKNN-ROUUACIJSA-N 2 2 355.486 2.819 10 0 FFAELP C[C@H]1CCCN(c2cc(N3CCC[C@@H](Cc4[nH+]ccn4C)C3)nc[nH+]2)C1 ZINC000301735620 258065351 /nfs/dbraw/zinc/06/53/51/258065351.db2.gz ZTFCQQWVITZCNF-IRXDYDNUSA-N 2 2 354.502 2.906 10 0 FFAELP C[C@H]1CCCN(c2cc(N3CCC[C@@H](Cc4[nH+]ccn4C)C3)[nH+]cn2)C1 ZINC000301735620 258065353 /nfs/dbraw/zinc/06/53/53/258065353.db2.gz ZTFCQQWVITZCNF-IRXDYDNUSA-N 2 2 354.502 2.906 10 0 FFAELP Cn1cc([C@H]2[C@H](C[N@@H+](C)Cc3nc4cccnc4s3)CCC[NH+]2C)cn1 ZINC000333011022 258244777 /nfs/dbraw/zinc/24/47/77/258244777.db2.gz FVQCEYNRIULNAP-KBXCAEBGSA-N 2 2 370.526 2.940 10 0 FFAELP Cn1cc([C@H]2[C@H](C[NH+](C)Cc3nc4cccnc4s3)CCC[N@@H+]2C)cn1 ZINC000333011022 258244778 /nfs/dbraw/zinc/24/47/78/258244778.db2.gz FVQCEYNRIULNAP-KBXCAEBGSA-N 2 2 370.526 2.940 10 0 FFAELP Cn1cc([C@H]2[C@H](C[NH+](C)Cc3nc4cccnc4s3)CCC[N@H+]2C)cn1 ZINC000333011022 258244779 /nfs/dbraw/zinc/24/47/79/258244779.db2.gz FVQCEYNRIULNAP-KBXCAEBGSA-N 2 2 370.526 2.940 10 0 FFAELP Cc1cccc2c1[nH+]cc(C)c2N1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000333143691 258252225 /nfs/dbraw/zinc/25/22/25/258252225.db2.gz CSWQPDBPJFKGEY-UHFFFAOYSA-N 2 2 362.481 2.930 10 0 FFAELP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000079102128 507932955 /nfs/dbraw/zinc/93/29/55/507932955.db2.gz HKYTUDLCYCSLNZ-UHFFFAOYSA-N 2 2 371.529 2.842 10 0 FFAELP C[C@H](C(=O)N1CCC(Cc2[nH+]ccn2C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000121959964 508457435 /nfs/dbraw/zinc/45/74/35/508457435.db2.gz ZYBWJEJZCGQWCT-QGZVFWFLSA-N 2 2 366.509 2.648 10 0 FFAELP C[C@H](C(=O)N1CCC(Cc2[nH+]ccn2C)CC1)[N@H+]1CCc2ccccc2C1 ZINC000121959964 508457437 /nfs/dbraw/zinc/45/74/37/508457437.db2.gz ZYBWJEJZCGQWCT-QGZVFWFLSA-N 2 2 366.509 2.648 10 0 FFAELP C[C@H]1CCCN(c2cc(NC3CC[NH+](C[C@@H]4CCOC4)CC3)nc[nH+]2)C1 ZINC000123066067 508630677 /nfs/dbraw/zinc/63/06/77/508630677.db2.gz CHLDROFBVOTDLL-IRXDYDNUSA-N 2 2 359.518 2.626 10 0 FFAELP C[C@H]1CCCN(c2cc(NC3CC[NH+](C[C@@H]4CCOC4)CC3)[nH+]cn2)C1 ZINC000123066067 508630683 /nfs/dbraw/zinc/63/06/83/508630683.db2.gz CHLDROFBVOTDLL-IRXDYDNUSA-N 2 2 359.518 2.626 10 0 FFAELP C[NH+]1CCN(c2ncc(C[N@H+]3CC=C(c4ccccc4F)CC3)cn2)CC1 ZINC000137028519 508733274 /nfs/dbraw/zinc/73/32/74/508733274.db2.gz FKFUSZQHSSHEOL-UHFFFAOYSA-N 2 2 367.472 2.657 10 0 FFAELP C[NH+]1CCN(c2ncc(C[N@@H+]3CC=C(c4ccccc4F)CC3)cn2)CC1 ZINC000137028519 508733275 /nfs/dbraw/zinc/73/32/75/508733275.db2.gz FKFUSZQHSSHEOL-UHFFFAOYSA-N 2 2 367.472 2.657 10 0 FFAELP CCOC(=O)c1[nH]c(C)c(C(=O)C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1C ZINC000154587591 508814393 /nfs/dbraw/zinc/81/43/93/508814393.db2.gz DETYBKHGICOVMC-INIZCTEOSA-N 2 2 372.469 2.660 10 0 FFAELP CCOC(=O)c1[nH]c(C)c(C(=O)C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1C ZINC000154587591 508814396 /nfs/dbraw/zinc/81/43/96/508814396.db2.gz DETYBKHGICOVMC-INIZCTEOSA-N 2 2 372.469 2.660 10 0 FFAELP COc1ccccc1N1CC[C@H]([N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)C1=O ZINC000150910465 508921151 /nfs/dbraw/zinc/92/11/51/508921151.db2.gz MRMLFSXRNARHHO-AEFFLSMTSA-N 2 2 366.465 2.630 10 0 FFAELP COc1ccccc1N1CC[C@H]([N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)C1=O ZINC000150910465 508921155 /nfs/dbraw/zinc/92/11/55/508921155.db2.gz MRMLFSXRNARHHO-AEFFLSMTSA-N 2 2 366.465 2.630 10 0 FFAELP CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1CC[NH+](C[C@H](O)CC)CC1 ZINC000172819565 509254376 /nfs/dbraw/zinc/25/43/76/509254376.db2.gz MEAPKVFFHIKNIY-MRXNPFEDSA-N 2 2 371.481 2.613 10 0 FFAELP CCOCc1cc(C[NH+]2CCC([N@@H+]3CCO[C@H](C)C3)CC2)ccc1OC ZINC000179343620 509388850 /nfs/dbraw/zinc/38/88/50/509388850.db2.gz RLCNPTOJGAKYJB-QGZVFWFLSA-N 2 2 362.514 2.917 10 0 FFAELP CCOCc1cc(C[NH+]2CCC([N@H+]3CCO[C@H](C)C3)CC2)ccc1OC ZINC000179343620 509388855 /nfs/dbraw/zinc/38/88/55/509388855.db2.gz RLCNPTOJGAKYJB-QGZVFWFLSA-N 2 2 362.514 2.917 10 0 FFAELP Cc1cccc(OC[C@H](O)C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)c1 ZINC000248641780 509409914 /nfs/dbraw/zinc/40/99/14/509409914.db2.gz CSVHOTHZWUUFRG-LEWJYISDSA-N 2 2 369.509 2.584 10 0 FFAELP Cc1cccc(OC[C@H](O)C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)c1 ZINC000248641780 509409918 /nfs/dbraw/zinc/40/99/18/509409918.db2.gz CSVHOTHZWUUFRG-LEWJYISDSA-N 2 2 369.509 2.584 10 0 FFAELP Cc1cccc(OC[C@H](O)C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000248641780 509409925 /nfs/dbraw/zinc/40/99/25/509409925.db2.gz CSVHOTHZWUUFRG-LEWJYISDSA-N 2 2 369.509 2.584 10 0 FFAELP Cc1cccc(OC[C@H](O)C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000248641780 509409931 /nfs/dbraw/zinc/40/99/31/509409931.db2.gz CSVHOTHZWUUFRG-LEWJYISDSA-N 2 2 369.509 2.584 10 0 FFAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2ccc(OC)c(OC)c2)nc[nH+]1 ZINC000173395996 509571182 /nfs/dbraw/zinc/57/11/82/509571182.db2.gz SRLNAAPXHRCSLL-GOEBONIOSA-N 2 2 371.485 2.855 10 0 FFAELP CCO[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)C12CCOCC2 ZINC000186253739 509603978 /nfs/dbraw/zinc/60/39/78/509603978.db2.gz RVFFQTTWFWVBKR-PMACEKPBSA-N 2 2 359.514 2.610 10 0 FFAELP CCO[C@H]1C[C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C12CCOCC2 ZINC000186256363 509606474 /nfs/dbraw/zinc/60/64/74/509606474.db2.gz TUZFBRITMKUQDY-SFTDATJTSA-N 2 2 374.525 2.583 10 0 FFAELP CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C12CCOCC2 ZINC000186256382 509607149 /nfs/dbraw/zinc/60/71/49/509607149.db2.gz TUZFBRITMKUQDY-NHCUHLMSSA-N 2 2 374.525 2.583 10 0 FFAELP O=S1(=O)CC[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)c2ccccc21 ZINC000192972451 509719142 /nfs/dbraw/zinc/71/91/42/509719142.db2.gz KGXGQNYCFMCBTF-KRWDZBQOSA-N 2 2 357.479 2.559 10 0 FFAELP Cc1noc([C@@]23C[NH+](Cc4cccnc4)C[C@@H]2CC[N@@H+](CC(C)C)C3)n1 ZINC000257184605 509948671 /nfs/dbraw/zinc/94/86/71/509948671.db2.gz ISPADBNWOVMHLS-ICSRJNTNSA-N 2 2 355.486 2.505 10 0 FFAELP Cc1noc([C@@]23C[NH+](Cc4cccnc4)C[C@@H]2CC[N@H+](CC(C)C)C3)n1 ZINC000257184605 509948677 /nfs/dbraw/zinc/94/86/77/509948677.db2.gz ISPADBNWOVMHLS-ICSRJNTNSA-N 2 2 355.486 2.505 10 0 FFAELP Cc1noc([C@@]23C[N@H+](Cc4cccnc4)C[C@@H]2CC[NH+](CC(C)C)C3)n1 ZINC000257184605 509948684 /nfs/dbraw/zinc/94/86/84/509948684.db2.gz ISPADBNWOVMHLS-ICSRJNTNSA-N 2 2 355.486 2.505 10 0 FFAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2ccc(OC)cc2OC)nc[nH+]1 ZINC000180568012 509988379 /nfs/dbraw/zinc/98/83/79/509988379.db2.gz KIUFFZNGXVRAPK-GJZGRUSLSA-N 2 2 371.485 2.855 10 0 FFAELP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000177374007 510020142 /nfs/dbraw/zinc/02/01/42/510020142.db2.gz VYTWECXZQJTFFV-GOSISDBHSA-N 2 2 359.518 2.698 10 0 FFAELP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000177374007 510020145 /nfs/dbraw/zinc/02/01/45/510020145.db2.gz VYTWECXZQJTFFV-GOSISDBHSA-N 2 2 359.518 2.698 10 0 FFAELP O=C(C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)NCc1cccc(Cl)c1 ZINC000171647354 510278377 /nfs/dbraw/zinc/27/83/77/510278377.db2.gz SSWLXRDBOUFFLN-INIZCTEOSA-N 2 2 358.873 2.785 10 0 FFAELP O=C(C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)NCc1cccc(Cl)c1 ZINC000171647354 510278384 /nfs/dbraw/zinc/27/83/84/510278384.db2.gz SSWLXRDBOUFFLN-INIZCTEOSA-N 2 2 358.873 2.785 10 0 FFAELP CCOc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171647954 510278522 /nfs/dbraw/zinc/27/85/22/510278522.db2.gz SFGUONWHVMQMCJ-INIZCTEOSA-N 2 2 354.454 2.853 10 0 FFAELP CCOc1ccccc1NC(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171647954 510278532 /nfs/dbraw/zinc/27/85/32/510278532.db2.gz SFGUONWHVMQMCJ-INIZCTEOSA-N 2 2 354.454 2.853 10 0 FFAELP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)Nc3ccc(Cl)cn3)C2)[nH+]1 ZINC000171649564 510280616 /nfs/dbraw/zinc/28/06/16/510280616.db2.gz HONQUDZVXJNHGF-CQSZACIVSA-N 2 2 359.861 2.811 10 0 FFAELP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)Nc3ccc(Cl)cn3)C2)[nH+]1 ZINC000171649564 510280624 /nfs/dbraw/zinc/28/06/24/510280624.db2.gz HONQUDZVXJNHGF-CQSZACIVSA-N 2 2 359.861 2.811 10 0 FFAELP COc1c(C)c[nH+]c(CN(C)C(=O)[C@H](Cc2ccccc2)[NH+](C)C)c1C ZINC000171674910 510301815 /nfs/dbraw/zinc/30/18/15/510301815.db2.gz CLPKWMBDKWCRPM-IBGZPJMESA-N 2 2 355.482 2.838 10 0 FFAELP O=C(C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000246166115 510332624 /nfs/dbraw/zinc/33/26/24/510332624.db2.gz RNYGNDMBQXFFOV-QYZOEREBSA-N 2 2 356.514 2.997 10 0 FFAELP O=C(C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000246166115 510332633 /nfs/dbraw/zinc/33/26/33/510332633.db2.gz RNYGNDMBQXFFOV-QYZOEREBSA-N 2 2 356.514 2.997 10 0 FFAELP O=C(NC1CC1)[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246233989 510380517 /nfs/dbraw/zinc/38/05/17/510380517.db2.gz UOMXGVXQJFZTBD-MGPUTAFESA-N 2 2 368.456 2.974 10 0 FFAELP O=C(NC1CC1)[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246233989 510380523 /nfs/dbraw/zinc/38/05/23/510380523.db2.gz UOMXGVXQJFZTBD-MGPUTAFESA-N 2 2 368.456 2.974 10 0 FFAELP Cc1c([C@@H](C)[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)cnn1C(C)C ZINC000191164152 510531313 /nfs/dbraw/zinc/53/13/13/510531313.db2.gz YNQJYOPSLNFGNA-UZLBHIALSA-N 2 2 356.514 2.842 10 0 FFAELP Cc1c([C@@H](C)[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)cnn1C(C)C ZINC000191164152 510531314 /nfs/dbraw/zinc/53/13/14/510531314.db2.gz YNQJYOPSLNFGNA-UZLBHIALSA-N 2 2 356.514 2.842 10 0 FFAELP COc1ccc([C@@H]2CCCN2C(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000246742351 510647873 /nfs/dbraw/zinc/64/78/73/510647873.db2.gz MUOGJIKLAIOQAO-HQRMLTQVSA-N 2 2 359.514 2.773 10 0 FFAELP COc1ccc([C@@H]2CCCN2C(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000246742351 510647881 /nfs/dbraw/zinc/64/78/81/510647881.db2.gz MUOGJIKLAIOQAO-HQRMLTQVSA-N 2 2 359.514 2.773 10 0 FFAELP COc1ccc([C@@H]2CCCN2C(=O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000246742351 510647888 /nfs/dbraw/zinc/64/78/88/510647888.db2.gz MUOGJIKLAIOQAO-HQRMLTQVSA-N 2 2 359.514 2.773 10 0 FFAELP COc1ccc([C@@H]2CCCN2C(=O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000246742351 510647896 /nfs/dbraw/zinc/64/78/96/510647896.db2.gz MUOGJIKLAIOQAO-HQRMLTQVSA-N 2 2 359.514 2.773 10 0 FFAELP CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000181939700 510671019 /nfs/dbraw/zinc/67/10/19/510671019.db2.gz LWZKHNXXJBJYBK-AOMKIAJQSA-N 2 2 367.493 2.715 10 0 FFAELP CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000181939700 510671027 /nfs/dbraw/zinc/67/10/27/510671027.db2.gz LWZKHNXXJBJYBK-AOMKIAJQSA-N 2 2 367.493 2.715 10 0 FFAELP C[C@H](C(=O)NCCc1cccs1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246794619 510679252 /nfs/dbraw/zinc/67/92/52/510679252.db2.gz RYFOKSJQUPWEJK-CVEARBPZSA-N 2 2 358.511 2.624 10 0 FFAELP C[C@H](C(=O)NCCc1cccs1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246794619 510679262 /nfs/dbraw/zinc/67/92/62/510679262.db2.gz RYFOKSJQUPWEJK-CVEARBPZSA-N 2 2 358.511 2.624 10 0 FFAELP COC(=O)c1ccccc1OCC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000182183317 510800303 /nfs/dbraw/zinc/80/03/03/510800303.db2.gz SJZGMTQNDIHIHK-MRXNPFEDSA-N 2 2 355.438 2.681 10 0 FFAELP COC(=O)c1ccccc1OCC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000182183317 510800310 /nfs/dbraw/zinc/80/03/10/510800310.db2.gz SJZGMTQNDIHIHK-MRXNPFEDSA-N 2 2 355.438 2.681 10 0 FFAELP COc1ccc([C@@H]2CCCN2C(=O)C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000247171084 510848637 /nfs/dbraw/zinc/84/86/37/510848637.db2.gz YNYNUIHJMSMEOW-XLIONFOSSA-N 2 2 359.514 2.632 10 0 FFAELP COc1ccc([C@@H]2CCCN2C(=O)C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000247171084 510848639 /nfs/dbraw/zinc/84/86/39/510848639.db2.gz YNYNUIHJMSMEOW-XLIONFOSSA-N 2 2 359.514 2.632 10 0 FFAELP COc1ccc([C@@H]2CCCN2C(=O)C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000247171084 510848641 /nfs/dbraw/zinc/84/86/41/510848641.db2.gz YNYNUIHJMSMEOW-XLIONFOSSA-N 2 2 359.514 2.632 10 0 FFAELP COc1ccc([C@@H]2CCCN2C(=O)C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000247171084 510848643 /nfs/dbraw/zinc/84/86/43/510848643.db2.gz YNYNUIHJMSMEOW-XLIONFOSSA-N 2 2 359.514 2.632 10 0 FFAELP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC000247454565 510861322 /nfs/dbraw/zinc/86/13/22/510861322.db2.gz TUSPCLQRDXNMCC-KBRIMQKVSA-N 2 2 368.472 2.595 10 0 FFAELP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC000247454565 510861323 /nfs/dbraw/zinc/86/13/23/510861323.db2.gz TUSPCLQRDXNMCC-KBRIMQKVSA-N 2 2 368.472 2.595 10 0 FFAELP Cn1cc[nH+]c1CN(C(=O)[C@@H]1C[C@@H]1c1ccccc1)[C@H]1CC12CC[NH2+]CC2 ZINC000328651870 511907964 /nfs/dbraw/zinc/90/79/64/511907964.db2.gz WCLSPODVZWJWSN-QRVBRYPASA-N 2 2 364.493 2.695 10 0 FFAELP CS(=O)(=O)CCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000424308042 514453833 /nfs/dbraw/zinc/45/38/33/514453833.db2.gz NKEHPTQKIOCGKG-YQQQUEKLSA-N 2 2 350.528 2.596 10 0 FFAELP CS(=O)(=O)CCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000424308042 514453840 /nfs/dbraw/zinc/45/38/40/514453840.db2.gz NKEHPTQKIOCGKG-YQQQUEKLSA-N 2 2 350.528 2.596 10 0 FFAELP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2nc(C)ccc2O)[C@@H]1c1cnn(C)c1 ZINC000328630757 529046890 /nfs/dbraw/zinc/04/68/90/529046890.db2.gz JSSIODNXVGWOSO-OXJNMPFZSA-N 2 2 357.502 2.734 10 0 FFAELP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2nc(C)ccc2O)[C@@H]1c1cnn(C)c1 ZINC000328630757 529046896 /nfs/dbraw/zinc/04/68/96/529046896.db2.gz JSSIODNXVGWOSO-OXJNMPFZSA-N 2 2 357.502 2.734 10 0 FFAELP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2nc(C)ccc2O)[C@@H]1c1cnn(C)c1 ZINC000328630757 529046899 /nfs/dbraw/zinc/04/68/99/529046899.db2.gz JSSIODNXVGWOSO-OXJNMPFZSA-N 2 2 357.502 2.734 10 0 FFAELP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2nc(C)ccc2O)[C@@H]1c1cnn(C)c1 ZINC000328630757 529046903 /nfs/dbraw/zinc/04/69/03/529046903.db2.gz JSSIODNXVGWOSO-OXJNMPFZSA-N 2 2 357.502 2.734 10 0 FFAELP CC(=O)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000106165102 250245711 /nfs/dbraw/zinc/24/57/11/250245711.db2.gz ZBSMPTUXVUCNHM-OAHLLOKOSA-N 2 2 368.481 2.904 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)NCc2cccc(COC)c2)C1 ZINC000106212982 250254597 /nfs/dbraw/zinc/25/45/97/250254597.db2.gz LCIPFVZTDXYCPO-IBGZPJMESA-N 2 2 370.497 2.545 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)NCc2cccc(COC)c2)C1 ZINC000106212982 250254601 /nfs/dbraw/zinc/25/46/01/250254601.db2.gz LCIPFVZTDXYCPO-IBGZPJMESA-N 2 2 370.497 2.545 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(OC)c(OC)c2)C1 ZINC000106216463 250256045 /nfs/dbraw/zinc/25/60/45/250256045.db2.gz SYZNLFGKKJEMFT-MRXNPFEDSA-N 2 2 372.469 2.738 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(OC)c(OC)c2)C1 ZINC000106216463 250256048 /nfs/dbraw/zinc/25/60/48/250256048.db2.gz SYZNLFGKKJEMFT-MRXNPFEDSA-N 2 2 372.469 2.738 10 0 FFAELP Cc1cccc(N2CCC(NC(=O)N3CCC(n4cc[nH+]c4)CC3)CC2)[nH+]1 ZINC000117057999 250333728 /nfs/dbraw/zinc/33/37/28/250333728.db2.gz WNHNBMPYNDMLPR-UHFFFAOYSA-N 2 2 368.485 2.602 10 0 FFAELP Cc1sc2nc(C[N@@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)[nH]c(=O)c2c1C ZINC000163460138 251191688 /nfs/dbraw/zinc/19/16/88/251191688.db2.gz FMACDBVTKPIFPF-AWEZNQCLSA-N 2 2 369.494 2.930 10 0 FFAELP Cc1sc2nc(C[N@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)[nH]c(=O)c2c1C ZINC000163460138 251191691 /nfs/dbraw/zinc/19/16/91/251191691.db2.gz FMACDBVTKPIFPF-AWEZNQCLSA-N 2 2 369.494 2.930 10 0 FFAELP OC[C@@H]1[NH2+][C@H](c2ccc(-n3cc[nH+]c3)cc2)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000065508782 221228102 /nfs/dbraw/zinc/22/81/02/221228102.db2.gz FPQLTUWHXJWWCM-GSPCLOLRSA-N 3 2 374.488 2.626 10 0 FFAELP OC[C@@H]1[NH2+][C@H](c2ccc(-n3cc[nH+]c3)cc2)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000065508782 221228104 /nfs/dbraw/zinc/22/81/04/221228104.db2.gz FPQLTUWHXJWWCM-GSPCLOLRSA-N 3 2 374.488 2.626 10 0 FFAELP OC[C@@H]1CCCN1c1cc(NC2CC[NH+](CC3CCCC3)CC2)nc[nH+]1 ZINC000301275822 258039036 /nfs/dbraw/zinc/03/90/36/258039036.db2.gz WKWWRGFOJRZQRT-SFHVURJKSA-N 2 2 359.518 2.504 10 0 FFAELP OC[C@@H]1CCCN1c1cc(NC2CC[NH+](CC3CCCC3)CC2)[nH+]cn1 ZINC000301275822 258039037 /nfs/dbraw/zinc/03/90/37/258039037.db2.gz WKWWRGFOJRZQRT-SFHVURJKSA-N 2 2 359.518 2.504 10 0 FFAELP CCOC(=O)c1c[nH+]c2c(C)c(C)ccc2c1N1CCO[C@H](C[NH+](C)C)C1 ZINC000301671351 258062277 /nfs/dbraw/zinc/06/22/77/258062277.db2.gz NZVRCFVLFHQWIZ-MRXNPFEDSA-N 2 2 371.481 2.795 10 0 FFAELP CC(C)CNC(=O)c1cccc(C[NH+]2CCC([N@@H+]3CCO[C@H](C)C3)CC2)c1 ZINC000067227157 506796414 /nfs/dbraw/zinc/79/64/14/506796414.db2.gz JYQBLCAJHPXTJQ-GOSISDBHSA-N 2 2 373.541 2.758 10 0 FFAELP CC(C)CNC(=O)c1cccc(C[NH+]2CCC([N@H+]3CCO[C@H](C)C3)CC2)c1 ZINC000067227157 506796422 /nfs/dbraw/zinc/79/64/22/506796422.db2.gz JYQBLCAJHPXTJQ-GOSISDBHSA-N 2 2 373.541 2.758 10 0 FFAELP CC(C)C[C@H](C[NH+](C)C)NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000079210957 507943527 /nfs/dbraw/zinc/94/35/27/507943527.db2.gz DCVUROAAUURLBG-LJQANCHMSA-N 2 2 357.502 2.707 10 0 FFAELP C[C@H](NC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000073717014 507948359 /nfs/dbraw/zinc/94/83/59/507948359.db2.gz STSAXWMDEJPTDR-JKSUJKDBSA-N 2 2 353.470 2.717 10 0 FFAELP C[C@H](NC(=O)NC[C@H]1CC[N@H+](C2CC2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000073717014 507948361 /nfs/dbraw/zinc/94/83/61/507948361.db2.gz STSAXWMDEJPTDR-JKSUJKDBSA-N 2 2 353.470 2.717 10 0 FFAELP Cc1nc(C[N@H+]2CCCN(C(=O)c3ccc(C[NH+](C)C)cc3)CC2)cs1 ZINC000109651910 507975758 /nfs/dbraw/zinc/97/57/58/507975758.db2.gz NMCQXFUIDIDNIJ-UHFFFAOYSA-N 2 2 372.538 2.861 10 0 FFAELP Cc1nc(C[N@@H+]2CCCN(C(=O)c3ccc(C[NH+](C)C)cc3)CC2)cs1 ZINC000109651910 507975759 /nfs/dbraw/zinc/97/57/59/507975759.db2.gz NMCQXFUIDIDNIJ-UHFFFAOYSA-N 2 2 372.538 2.861 10 0 FFAELP Cc1ccc(S(=O)(=O)CCC[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000091580192 507993865 /nfs/dbraw/zinc/99/38/65/507993865.db2.gz YZBGCCPSNFFZEZ-GOSISDBHSA-N 2 2 373.522 2.988 10 0 FFAELP Cc1ccc(S(=O)(=O)CCC[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000091580192 507993867 /nfs/dbraw/zinc/99/38/67/507993867.db2.gz YZBGCCPSNFFZEZ-GOSISDBHSA-N 2 2 373.522 2.988 10 0 FFAELP CC[N@@H+](Cc1nnc(C2CC2)n1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108438 508160273 /nfs/dbraw/zinc/16/02/73/508160273.db2.gz MGKBCSBQAFYUEY-UHFFFAOYSA-N 2 2 354.502 2.826 10 0 FFAELP CC[N@H+](Cc1nnc(C2CC2)n1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108438 508160276 /nfs/dbraw/zinc/16/02/76/508160276.db2.gz MGKBCSBQAFYUEY-UHFFFAOYSA-N 2 2 354.502 2.826 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)C1 ZINC000106212718 508397886 /nfs/dbraw/zinc/39/78/86/508397886.db2.gz IPTYREJFAJVAJZ-GJZGRUSLSA-N 2 2 372.435 2.883 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)C1 ZINC000106212718 508397887 /nfs/dbraw/zinc/39/78/87/508397887.db2.gz IPTYREJFAJVAJZ-GJZGRUSLSA-N 2 2 372.435 2.883 10 0 FFAELP C[NH+](C)[C@H](Cc1ccccc1)C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000106460334 508401111 /nfs/dbraw/zinc/40/11/11/508401111.db2.gz COVGDOJNMXUMLW-OAQYLSRUSA-N 2 2 367.493 2.630 10 0 FFAELP C[NH+]1CCC([NH+]2CCC(NC(=O)NC3C4CC5CC(C4)CC3C5)CC2)CC1 ZINC000127484244 508456742 /nfs/dbraw/zinc/45/67/42/508456742.db2.gz PSWOMUCUDOAHGU-UHFFFAOYSA-N 2 2 374.573 2.669 10 0 FFAELP Cc1cccc(N2CCC(NC(=O)[C@@H](Cc3ccccc3)[NH+](C)C)CC2)[nH+]1 ZINC000116668561 508544894 /nfs/dbraw/zinc/54/48/94/508544894.db2.gz AXFLMRXPTAQEQB-HXUWFJFHSA-N 2 2 366.509 2.648 10 0 FFAELP Cc1ccc(N2CCC(NC(=O)[C@@H](c3ccccc3)[NH+](C)C)CC2)[nH+]c1 ZINC000124208894 508797525 /nfs/dbraw/zinc/79/75/25/508797525.db2.gz KDNOUKHPKMNDQU-HXUWFJFHSA-N 2 2 352.482 2.778 10 0 FFAELP c1cncc(C[NH+]2CCC([NH2+]Cc3ccnc(N4CCCC4)c3)CC2)c1 ZINC000131529738 508945624 /nfs/dbraw/zinc/94/56/24/508945624.db2.gz WFDBTZTXTXOIRI-UHFFFAOYSA-N 2 2 351.498 2.831 10 0 FFAELP O=C(CC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)N1CCc2ccccc2C1 ZINC000189040621 509384448 /nfs/dbraw/zinc/38/44/48/509384448.db2.gz LVKAOZZCHIKQQF-SFHVURJKSA-N 2 2 364.493 2.790 10 0 FFAELP O=C(CC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)N1CCc2ccccc2C1 ZINC000189040621 509384459 /nfs/dbraw/zinc/38/44/59/509384459.db2.gz LVKAOZZCHIKQQF-SFHVURJKSA-N 2 2 364.493 2.790 10 0 FFAELP CCCC[N@@H+]1CCOC[C@H]1C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000248635296 509403340 /nfs/dbraw/zinc/40/33/40/509403340.db2.gz KFEADHKIWIKPMK-NQIIRXRSSA-N 2 2 373.541 2.829 10 0 FFAELP CCCC[N@H+]1CCOC[C@H]1C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000248635296 509403347 /nfs/dbraw/zinc/40/33/47/509403347.db2.gz KFEADHKIWIKPMK-NQIIRXRSSA-N 2 2 373.541 2.829 10 0 FFAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)NC2CCCC2)C1 ZINC000248646036 509413217 /nfs/dbraw/zinc/41/32/17/509413217.db2.gz GXWLHIFBWYTLSU-HZPDHXFCSA-N 2 2 364.559 2.653 10 0 FFAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)NC2CCCC2)C1 ZINC000248646036 509413227 /nfs/dbraw/zinc/41/32/27/509413227.db2.gz GXWLHIFBWYTLSU-HZPDHXFCSA-N 2 2 364.559 2.653 10 0 FFAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)NC2CCCC2)C1 ZINC000248646036 509413232 /nfs/dbraw/zinc/41/32/32/509413232.db2.gz GXWLHIFBWYTLSU-HZPDHXFCSA-N 2 2 364.559 2.653 10 0 FFAELP NC(=O)[C@H](Cc1ccc(Cl)cc1)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000248873468 509521667 /nfs/dbraw/zinc/52/16/67/509521667.db2.gz LACYEGGHLULICK-MNEFBYGVSA-N 2 2 361.917 2.685 10 0 FFAELP NC(=O)[C@H](Cc1ccc(Cl)cc1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000248873468 509521672 /nfs/dbraw/zinc/52/16/72/509521672.db2.gz LACYEGGHLULICK-MNEFBYGVSA-N 2 2 361.917 2.685 10 0 FFAELP NC(=O)[C@H](Cc1ccc(Cl)cc1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000248873468 509521680 /nfs/dbraw/zinc/52/16/80/509521680.db2.gz LACYEGGHLULICK-MNEFBYGVSA-N 2 2 361.917 2.685 10 0 FFAELP NC(=O)[C@H](Cc1ccc(Cl)cc1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000248873468 509521685 /nfs/dbraw/zinc/52/16/85/509521685.db2.gz LACYEGGHLULICK-MNEFBYGVSA-N 2 2 361.917 2.685 10 0 FFAELP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC000180041248 509722789 /nfs/dbraw/zinc/72/27/89/509722789.db2.gz YLZRRYSBRKAZEK-PXNSSMCTSA-N 2 2 367.497 2.636 10 0 FFAELP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC000180041248 509722797 /nfs/dbraw/zinc/72/27/97/509722797.db2.gz YLZRRYSBRKAZEK-PXNSSMCTSA-N 2 2 367.497 2.636 10 0 FFAELP C[N@H+](CCCc1ccc2c(c1)CCO2)C1CC[NH+](CCn2cccn2)CC1 ZINC000193248741 509836991 /nfs/dbraw/zinc/83/69/91/509836991.db2.gz NMECKZOCIQCKDC-UHFFFAOYSA-N 2 2 368.525 2.847 10 0 FFAELP C[N@@H+](CCCc1ccc2c(c1)CCO2)C1CC[NH+](CCn2cccn2)CC1 ZINC000193248741 509836999 /nfs/dbraw/zinc/83/69/99/509836999.db2.gz NMECKZOCIQCKDC-UHFFFAOYSA-N 2 2 368.525 2.847 10 0 FFAELP CC(C)[NH2+]C1CC[NH+](C[C@H](O)COc2cccc(Br)c2)CC1 ZINC000170986705 509878053 /nfs/dbraw/zinc/87/80/53/509878053.db2.gz ITACLMLUZRIFQV-INIZCTEOSA-N 2 2 371.319 2.651 10 0 FFAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2cccc(NC(C)=O)c2)nc[nH+]1 ZINC000180570235 509989964 /nfs/dbraw/zinc/98/99/64/509989964.db2.gz XKJCQJYOYQWPHB-RDTXWAMCSA-N 2 2 368.485 2.796 10 0 FFAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2ccc3c(c2)OCO3)nc[nH+]1 ZINC000180576026 509992603 /nfs/dbraw/zinc/99/26/03/509992603.db2.gz GYHQVKDKUWPXKM-UKRRQHHQSA-N 2 2 355.442 2.567 10 0 FFAELP C[C@@H]1CC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)[C@@H](c2ccco2)C1 ZINC000245722787 510107482 /nfs/dbraw/zinc/10/74/82/510107482.db2.gz ICTQFBZBZDUBBY-SJLPKXTDSA-N 2 2 355.486 2.795 10 0 FFAELP C[C@@H]1CC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)[C@@H](c2ccco2)C1 ZINC000245722787 510107488 /nfs/dbraw/zinc/10/74/88/510107488.db2.gz ICTQFBZBZDUBBY-SJLPKXTDSA-N 2 2 355.486 2.795 10 0 FFAELP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccccc3OCC(=O)NCC3CC3)CC[C@H]21 ZINC000245744737 510122046 /nfs/dbraw/zinc/12/20/46/510122046.db2.gz GNQUVFULOJEESK-AZUAARDMSA-N 2 2 371.525 2.508 10 0 FFAELP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccccc3OCC(=O)NCC3CC3)CC[C@H]21 ZINC000245744737 510122049 /nfs/dbraw/zinc/12/20/49/510122049.db2.gz GNQUVFULOJEESK-AZUAARDMSA-N 2 2 371.525 2.508 10 0 FFAELP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccccc3OCC(=O)NCC3CC3)CC[C@H]21 ZINC000245744737 510122054 /nfs/dbraw/zinc/12/20/54/510122054.db2.gz GNQUVFULOJEESK-AZUAARDMSA-N 2 2 371.525 2.508 10 0 FFAELP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccccc3OCC(=O)NCC3CC3)CC[C@H]21 ZINC000245744737 510122058 /nfs/dbraw/zinc/12/20/58/510122058.db2.gz GNQUVFULOJEESK-AZUAARDMSA-N 2 2 371.525 2.508 10 0 FFAELP O[C@H](C[NH2+][C@@H]1CCc2ccc(Br)cc21)C[NH+]1CCCCC1 ZINC000193977674 510157259 /nfs/dbraw/zinc/15/72/59/510157259.db2.gz OTCGOCMGQXUFRH-NVXWUHKLSA-N 2 2 353.304 2.873 10 0 FFAELP C[C@@H](CCNC(=O)N1CCCN(c2cccc[nH+]2)CC1)[NH+]1CCCCC1 ZINC000184311736 510255094 /nfs/dbraw/zinc/25/50/94/510255094.db2.gz COQQNTXIBNENDC-SFHVURJKSA-N 2 2 359.518 2.568 10 0 FFAELP Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c(C)c1 ZINC000171640743 510270054 /nfs/dbraw/zinc/27/00/54/510270054.db2.gz ZMNWLFARUHRFJI-RTBURBONSA-N 2 2 355.482 2.872 10 0 FFAELP Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c(C)c1 ZINC000171640743 510270061 /nfs/dbraw/zinc/27/00/61/510270061.db2.gz ZMNWLFARUHRFJI-RTBURBONSA-N 2 2 355.482 2.872 10 0 FFAELP O[C@H](COc1ccc(Cl)cc1)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171643582 510271649 /nfs/dbraw/zinc/27/16/49/510271649.db2.gz BXEDEIRPSRRKOQ-RDJZCZTQSA-N 2 2 361.873 2.909 10 0 FFAELP O[C@H](COc1ccc(Cl)cc1)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171643582 510271654 /nfs/dbraw/zinc/27/16/54/510271654.db2.gz BXEDEIRPSRRKOQ-RDJZCZTQSA-N 2 2 361.873 2.909 10 0 FFAELP C[C@H](C(=O)NCCc1ccc(F)cc1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171646152 510274325 /nfs/dbraw/zinc/27/43/25/510274325.db2.gz AKKLWGFGMDCJSN-SJLPKXTDSA-N 2 2 370.472 2.702 10 0 FFAELP C[C@H](C(=O)NCCc1ccc(F)cc1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171646152 510274327 /nfs/dbraw/zinc/27/43/27/510274327.db2.gz AKKLWGFGMDCJSN-SJLPKXTDSA-N 2 2 370.472 2.702 10 0 FFAELP CN(Cc1ccccc1F)C(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171645433 510275439 /nfs/dbraw/zinc/27/54/39/510275439.db2.gz NFQNVJLWNJLDMV-INIZCTEOSA-N 2 2 356.445 2.613 10 0 FFAELP CN(Cc1ccccc1F)C(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171645433 510275448 /nfs/dbraw/zinc/27/54/48/510275448.db2.gz NFQNVJLWNJLDMV-INIZCTEOSA-N 2 2 356.445 2.613 10 0 FFAELP O=c1cc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c2ccc(O)cc2o1 ZINC000171646625 510275793 /nfs/dbraw/zinc/27/57/93/510275793.db2.gz QOEWPIONNYVLFH-AWEZNQCLSA-N 2 2 351.406 2.828 10 0 FFAELP O=c1cc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c2ccc(O)cc2o1 ZINC000171646625 510275800 /nfs/dbraw/zinc/27/58/00/510275800.db2.gz QOEWPIONNYVLFH-AWEZNQCLSA-N 2 2 351.406 2.828 10 0 FFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000246191918 510352270 /nfs/dbraw/zinc/35/22/70/510352270.db2.gz IDDLXKQWCBXDQV-YOEHRIQHSA-N 2 2 360.408 2.740 10 0 FFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000246191918 510352281 /nfs/dbraw/zinc/35/22/81/510352281.db2.gz IDDLXKQWCBXDQV-YOEHRIQHSA-N 2 2 360.408 2.740 10 0 FFAELP CCc1ccc([C@H](CNc2cc(N3CCC[C@H]3CO)[nH+]cn2)[NH+](C)C)cc1 ZINC000246195584 510353520 /nfs/dbraw/zinc/35/35/20/510353520.db2.gz TWDYGHUXIQVQGN-OALUTQOASA-N 2 2 369.513 2.715 10 0 FFAELP Cc1cc(C)c(NC(=O)C[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)c(C)c1 ZINC000174873750 510358352 /nfs/dbraw/zinc/35/83/52/510358352.db2.gz GDCNNJLNRDHDQJ-FQEVSTJZSA-N 2 2 372.557 2.652 10 0 FFAELP Cc1c(-c2cc(C[N@@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)on2)cnn1C ZINC000184566824 510393029 /nfs/dbraw/zinc/39/30/29/510393029.db2.gz ACXZSGYOWPPEOA-HNNXBMFYSA-N 2 2 352.442 2.713 10 0 FFAELP Cc1c(-c2cc(C[N@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)on2)cnn1C ZINC000184566824 510393032 /nfs/dbraw/zinc/39/30/32/510393032.db2.gz ACXZSGYOWPPEOA-HNNXBMFYSA-N 2 2 352.442 2.713 10 0 FFAELP CCN(C)c1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)cn1 ZINC000191537894 510712144 /nfs/dbraw/zinc/71/21/44/510712144.db2.gz IMZLWQJWQJGIFU-HXUWFJFHSA-N 2 2 353.514 2.887 10 0 FFAELP CCN(C)c1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)cn1 ZINC000191537894 510712149 /nfs/dbraw/zinc/71/21/49/510712149.db2.gz IMZLWQJWQJGIFU-HXUWFJFHSA-N 2 2 353.514 2.887 10 0 FFAELP CCN(C)c1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)cn1 ZINC000191537894 510712157 /nfs/dbraw/zinc/71/21/57/510712157.db2.gz IMZLWQJWQJGIFU-HXUWFJFHSA-N 2 2 353.514 2.887 10 0 FFAELP CCN(C)c1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)cn1 ZINC000191537894 510712162 /nfs/dbraw/zinc/71/21/62/510712162.db2.gz IMZLWQJWQJGIFU-HXUWFJFHSA-N 2 2 353.514 2.887 10 0 FFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cc(=O)oc2c(C)c(O)ccc12 ZINC000178746558 510749587 /nfs/dbraw/zinc/74/95/87/510749587.db2.gz RGARQQJGCITHMU-INIZCTEOSA-N 2 2 353.422 2.977 10 0 FFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cc(=O)oc2c(C)c(O)ccc12 ZINC000178746558 510749593 /nfs/dbraw/zinc/74/95/93/510749593.db2.gz RGARQQJGCITHMU-INIZCTEOSA-N 2 2 353.422 2.977 10 0 FFAELP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]C1CCN(c2ncccn2)CC1 ZINC000247177771 510848923 /nfs/dbraw/zinc/84/89/23/510848923.db2.gz VBIXBEZJZCWTAS-FXAWDEMLSA-N 2 2 351.498 2.556 10 0 FFAELP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]C1CCN(c2ncccn2)CC1 ZINC000247177771 510848925 /nfs/dbraw/zinc/84/89/25/510848925.db2.gz VBIXBEZJZCWTAS-FXAWDEMLSA-N 2 2 351.498 2.556 10 0 FFAELP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)nc[nH+]1 ZINC000333573971 511288849 /nfs/dbraw/zinc/28/88/49/511288849.db2.gz SHVWVBKBMDICSP-WFNPHZEWSA-N 2 2 359.518 2.656 10 0 FFAELP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)[nH+]cn1 ZINC000333573971 511288853 /nfs/dbraw/zinc/28/88/53/511288853.db2.gz SHVWVBKBMDICSP-WFNPHZEWSA-N 2 2 359.518 2.656 10 0 FFAELP Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333833026 511368282 /nfs/dbraw/zinc/36/82/82/511368282.db2.gz MWKFYUDOSNRGGK-SJORKVTESA-N 2 2 355.486 2.661 10 0 FFAELP COc1cc(Br)cc(C[NH2+]CCCn2cc[nH+]c2)c1OC ZINC000020933944 522027009 /nfs/dbraw/zinc/02/70/09/522027009.db2.gz JMMXZNQDVPDWPQ-UHFFFAOYSA-N 2 2 354.248 2.843 10 0 FFAELP Cc1cccc(NC[C@H]2CC[N@@H+]([C@@H](C)c3nnnn3-c3ccccc3)C2)[nH+]1 ZINC000103473934 250154516 /nfs/dbraw/zinc/15/45/16/250154516.db2.gz ZMFPKPATVZJFNQ-DLBZAZTESA-N 2 2 363.469 2.861 10 0 FFAELP Cc1cccc(NC[C@H]2CC[N@H+]([C@@H](C)c3nnnn3-c3ccccc3)C2)[nH+]1 ZINC000103473934 250154520 /nfs/dbraw/zinc/15/45/20/250154520.db2.gz ZMFPKPATVZJFNQ-DLBZAZTESA-N 2 2 363.469 2.861 10 0 FFAELP C[C@@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000106165728 250245864 /nfs/dbraw/zinc/24/58/64/250245864.db2.gz PXSNWBBOGNPFAJ-AWEZNQCLSA-N 2 2 351.454 2.672 10 0 FFAELP CC(=O)c1cccc(NC(=O)C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)c1 ZINC000106166518 250246162 /nfs/dbraw/zinc/24/61/62/250246162.db2.gz KALBPTUOKMYWEZ-UHFFFAOYSA-N 2 2 354.454 2.516 10 0 FFAELP Cn1cc[nH+]c1CC1CC[NH+](CC(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000106165670 250246172 /nfs/dbraw/zinc/24/61/72/250246172.db2.gz LRRMUCCCVSQXQX-FQEVSTJZSA-N 2 2 366.509 2.868 10 0 FFAELP COc1ccc(C)cc1NC(=O)C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000106165998 250247007 /nfs/dbraw/zinc/24/70/07/250247007.db2.gz JMGIKAHDGMJTRQ-UHFFFAOYSA-N 2 2 356.470 2.630 10 0 FFAELP CCn1ncnc1[C@@H](C)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)c(OC)c1 ZINC000055244967 221063694 /nfs/dbraw/zinc/06/36/94/221063694.db2.gz QRMAISUPCKCEEU-MRXNPFEDSA-N 2 2 373.501 2.632 10 0 FFAELP C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc3c(c2)C[NH+](CC(N)=O)CC3)CC[N@@H+]1C ZINC000333037270 258246328 /nfs/dbraw/zinc/24/63/28/258246328.db2.gz NSBHUTYDJXQLMS-RDTXWAMCSA-N 2 2 373.501 2.526 10 0 FFAELP C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc3c(c2)C[NH+](CC(N)=O)CC3)CC[N@H+]1C ZINC000333037270 258246329 /nfs/dbraw/zinc/24/63/29/258246329.db2.gz NSBHUTYDJXQLMS-RDTXWAMCSA-N 2 2 373.501 2.526 10 0 FFAELP C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)CC[NH+]1C ZINC000333037270 258246330 /nfs/dbraw/zinc/24/63/30/258246330.db2.gz NSBHUTYDJXQLMS-RDTXWAMCSA-N 2 2 373.501 2.526 10 0 FFAELP C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)CC[NH+]1C ZINC000333037270 258246331 /nfs/dbraw/zinc/24/63/31/258246331.db2.gz NSBHUTYDJXQLMS-RDTXWAMCSA-N 2 2 373.501 2.526 10 0 FFAELP C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000333082757 258248719 /nfs/dbraw/zinc/24/87/19/258248719.db2.gz XLVHDVTWNCVAIH-OAHLLOKOSA-N 2 2 373.501 2.576 10 0 FFAELP C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000333082757 258248720 /nfs/dbraw/zinc/24/87/20/258248720.db2.gz XLVHDVTWNCVAIH-OAHLLOKOSA-N 2 2 373.501 2.576 10 0 FFAELP C[C@@H](c1c(F)cccc1F)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000109789757 507987488 /nfs/dbraw/zinc/98/74/88/507987488.db2.gz MZDBFIREVGIJPC-HNNXBMFYSA-N 2 2 365.468 2.902 10 0 FFAELP O=C(C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000079886652 508011419 /nfs/dbraw/zinc/01/14/19/508011419.db2.gz PWPWFKDHAPTTIN-LEWJYISDSA-N 2 2 371.525 2.542 10 0 FFAELP O=C(C[N@H+]1CCO[C@@H]2CCCC[C@@H]21)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000079886652 508011420 /nfs/dbraw/zinc/01/14/20/508011420.db2.gz PWPWFKDHAPTTIN-LEWJYISDSA-N 2 2 371.525 2.542 10 0 FFAELP C[C@@H](NC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000074875938 508066463 /nfs/dbraw/zinc/06/64/63/508066463.db2.gz BOTAPRAUYRJYLL-IAGOWNOFSA-N 2 2 355.486 2.917 10 0 FFAELP C[C@@H](NC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000074875938 508066464 /nfs/dbraw/zinc/06/64/64/508066464.db2.gz BOTAPRAUYRJYLL-IAGOWNOFSA-N 2 2 355.486 2.917 10 0 FFAELP C[NH+](C)C[C@H]1CC[N@H+](CC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)C1 ZINC000114478839 508320340 /nfs/dbraw/zinc/32/03/40/508320340.db2.gz OTPZDDXBVCXWOD-QGZVFWFLSA-N 2 2 366.509 2.667 10 0 FFAELP C[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)C1 ZINC000114478839 508320342 /nfs/dbraw/zinc/32/03/42/508320342.db2.gz OTPZDDXBVCXWOD-QGZVFWFLSA-N 2 2 366.509 2.667 10 0 FFAELP Cc1nn(C)c(C)c1CN1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000106143094 508396565 /nfs/dbraw/zinc/39/65/65/508396565.db2.gz LXLCWBGECKCZQF-UHFFFAOYSA-N 2 2 364.497 2.540 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NCCc2ccc(F)cc2)C1 ZINC000106216876 508398123 /nfs/dbraw/zinc/39/81/23/508398123.db2.gz FOBNPPJJUHVSJW-LPHOPBHVSA-N 2 2 372.488 2.969 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)NCCc2ccc(F)cc2)C1 ZINC000106216876 508398124 /nfs/dbraw/zinc/39/81/24/508398124.db2.gz FOBNPPJJUHVSJW-LPHOPBHVSA-N 2 2 372.488 2.969 10 0 FFAELP COCCOc1ccc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1 ZINC000121233178 509153598 /nfs/dbraw/zinc/15/35/98/509153598.db2.gz ACWRAXAVNOKCGX-UHFFFAOYSA-N 2 2 372.513 2.505 10 0 FFAELP COCCOc1ccc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1 ZINC000121233178 509153602 /nfs/dbraw/zinc/15/36/02/509153602.db2.gz ACWRAXAVNOKCGX-UHFFFAOYSA-N 2 2 372.513 2.505 10 0 FFAELP C[N@@H+]1CCC[C@@H]2CN(C(=O)/C=C/c3ccc(-n4cc[nH+]c4)cc3)CC[C@H]21 ZINC000247989684 509211357 /nfs/dbraw/zinc/21/13/57/509211357.db2.gz JGAYAVXMFOWHFK-NTFMERETSA-N 2 2 350.466 2.828 10 0 FFAELP C[N@H+]1CCC[C@@H]2CN(C(=O)/C=C/c3ccc(-n4cc[nH+]c4)cc3)CC[C@H]21 ZINC000247989684 509211363 /nfs/dbraw/zinc/21/13/63/509211363.db2.gz JGAYAVXMFOWHFK-NTFMERETSA-N 2 2 350.466 2.828 10 0 FFAELP COc1ccc(Cl)c(C[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)c1 ZINC000192118970 509354787 /nfs/dbraw/zinc/35/47/87/509354787.db2.gz LETSXVRAQMQXMP-KRWDZBQOSA-N 2 2 351.922 2.951 10 0 FFAELP COc1ccc(Cl)c(C[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)c1 ZINC000192118970 509354795 /nfs/dbraw/zinc/35/47/95/509354795.db2.gz LETSXVRAQMQXMP-KRWDZBQOSA-N 2 2 351.922 2.951 10 0 FFAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](CCO[C@H]2CCCCO2)C1 ZINC000248644398 509411551 /nfs/dbraw/zinc/41/15/51/509411551.db2.gz FIIIWFSYUBKNBT-AEFFLSMTSA-N 2 2 353.532 2.748 10 0 FFAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](CCO[C@H]2CCCCO2)C1 ZINC000248644398 509411556 /nfs/dbraw/zinc/41/15/56/509411556.db2.gz FIIIWFSYUBKNBT-AEFFLSMTSA-N 2 2 353.532 2.748 10 0 FFAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](CCO[C@H]2CCCCO2)C1 ZINC000248644398 509411558 /nfs/dbraw/zinc/41/15/58/509411558.db2.gz FIIIWFSYUBKNBT-AEFFLSMTSA-N 2 2 353.532 2.748 10 0 FFAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](CCO[C@H]2CCCCO2)C1 ZINC000248644398 509411564 /nfs/dbraw/zinc/41/15/64/509411564.db2.gz FIIIWFSYUBKNBT-AEFFLSMTSA-N 2 2 353.532 2.748 10 0 FFAELP CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000248646469 509413007 /nfs/dbraw/zinc/41/30/07/509413007.db2.gz HNHPBFXTRPKVAA-BPUTZDHNSA-N 2 2 352.548 2.508 10 0 FFAELP CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000248646469 509413012 /nfs/dbraw/zinc/41/30/12/509413012.db2.gz HNHPBFXTRPKVAA-BPUTZDHNSA-N 2 2 352.548 2.508 10 0 FFAELP CC[C@H](C)NC(=O)[C@H](C)[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000248646469 509413017 /nfs/dbraw/zinc/41/30/17/509413017.db2.gz HNHPBFXTRPKVAA-BPUTZDHNSA-N 2 2 352.548 2.508 10 0 FFAELP CC[C@H](C)NC(=O)[C@H](C)[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000248646469 509413023 /nfs/dbraw/zinc/41/30/23/509413023.db2.gz HNHPBFXTRPKVAA-BPUTZDHNSA-N 2 2 352.548 2.508 10 0 FFAELP O[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C[NH+]1CCCCC1 ZINC000249048923 509583611 /nfs/dbraw/zinc/58/36/11/509583611.db2.gz WYXZXQXEYWMGDI-YUMYIRISSA-N 3 2 357.542 2.618 10 0 FFAELP O[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C[NH+]1CCCCC1 ZINC000249048923 509583616 /nfs/dbraw/zinc/58/36/16/509583616.db2.gz WYXZXQXEYWMGDI-YUMYIRISSA-N 3 2 357.542 2.618 10 0 FFAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H]2CCc3c(cccc3OC)C2)nc[nH+]1 ZINC000249093604 509601996 /nfs/dbraw/zinc/60/19/96/509601996.db2.gz TTZRPGVKXKZGAT-DLBZAZTESA-N 2 2 367.497 2.643 10 0 FFAELP C[C@H]1C[N@@H+](C2CC[NH+](Cc3cn(C)nc3-c3cccs3)CC2)CCO1 ZINC000179785287 509620896 /nfs/dbraw/zinc/62/08/96/509620896.db2.gz ZNDGBSNXOFSZLQ-HNNXBMFYSA-N 2 2 360.527 2.834 10 0 FFAELP C[C@H]1C[N@H+](C2CC[NH+](Cc3cn(C)nc3-c3cccs3)CC2)CCO1 ZINC000179785287 509620900 /nfs/dbraw/zinc/62/09/00/509620900.db2.gz ZNDGBSNXOFSZLQ-HNNXBMFYSA-N 2 2 360.527 2.834 10 0 FFAELP C[C@]1(CNC(=O)[C@H]2CCCn3cc[nH+]c32)CCC[N@@H+]1Cc1ccccc1 ZINC000249200675 509634484 /nfs/dbraw/zinc/63/44/84/509634484.db2.gz CZQJPRSISTVMNF-GHTZIAJQSA-N 2 2 352.482 2.931 10 0 FFAELP C[C@]1(CNC(=O)[C@H]2CCCn3cc[nH+]c32)CCC[N@H+]1Cc1ccccc1 ZINC000249200675 509634489 /nfs/dbraw/zinc/63/44/89/509634489.db2.gz CZQJPRSISTVMNF-GHTZIAJQSA-N 2 2 352.482 2.931 10 0 FFAELP CC(C)[NH+]1CCN(CCC[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000192793861 509647435 /nfs/dbraw/zinc/64/74/35/509647435.db2.gz YPIXUFZHASQENP-IBGZPJMESA-N 3 2 355.530 2.939 10 0 FFAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2ccc(OC)cc2F)nc[nH+]1 ZINC000180576578 509993254 /nfs/dbraw/zinc/99/32/54/509993254.db2.gz KTQTWNOZQAAXQP-UONOGXRCSA-N 2 2 359.449 2.986 10 0 FFAELP C[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NC(C)(C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180654614 510038846 /nfs/dbraw/zinc/03/88/46/510038846.db2.gz QNWXKEFECDSAKS-KGLIPLIRSA-N 2 2 357.458 2.536 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000171619117 510255053 /nfs/dbraw/zinc/25/50/53/510255053.db2.gz MCJHQXDXCDWQRA-OALUTQOASA-N 2 2 354.498 2.782 10 0 FFAELP Cc1ccc(C)c(OC[C@@H](O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000171640733 510270547 /nfs/dbraw/zinc/27/05/47/510270547.db2.gz ZAISUNBEEUESTC-MOPGFXCFSA-N 2 2 355.482 2.872 10 0 FFAELP Cc1ccc(C)c(OC[C@@H](O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000171640733 510270552 /nfs/dbraw/zinc/27/05/52/510270552.db2.gz ZAISUNBEEUESTC-MOPGFXCFSA-N 2 2 355.482 2.872 10 0 FFAELP CCOc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171640692 510270887 /nfs/dbraw/zinc/27/08/87/510270887.db2.gz WMPVPRPOWSZXEG-QZTJIDSGSA-N 2 2 371.481 2.654 10 0 FFAELP CCOc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171640692 510270895 /nfs/dbraw/zinc/27/08/95/510270895.db2.gz WMPVPRPOWSZXEG-QZTJIDSGSA-N 2 2 371.481 2.654 10 0 FFAELP Cc1cccc(C)c1OC[C@H](O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171643572 510271769 /nfs/dbraw/zinc/27/17/69/510271769.db2.gz IOGVRFIRMIBDCO-RTBURBONSA-N 2 2 355.482 2.872 10 0 FFAELP Cc1cccc(C)c1OC[C@H](O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171643572 510271776 /nfs/dbraw/zinc/27/17/76/510271776.db2.gz IOGVRFIRMIBDCO-RTBURBONSA-N 2 2 355.482 2.872 10 0 FFAELP C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171645137 510276292 /nfs/dbraw/zinc/27/62/92/510276292.db2.gz SIFORXVTZCDSGN-ZIAGYGMSSA-N 2 2 359.861 2.891 10 0 FFAELP C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171645137 510276296 /nfs/dbraw/zinc/27/62/96/510276296.db2.gz SIFORXVTZCDSGN-ZIAGYGMSSA-N 2 2 359.861 2.891 10 0 FFAELP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)Nc3cccnc3Cl)C2)[nH+]1 ZINC000171651843 510282289 /nfs/dbraw/zinc/28/22/89/510282289.db2.gz JJGHBKGHBCWPES-CQSZACIVSA-N 2 2 359.861 2.811 10 0 FFAELP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)Nc3cccnc3Cl)C2)[nH+]1 ZINC000171651843 510282295 /nfs/dbraw/zinc/28/22/95/510282295.db2.gz JJGHBKGHBCWPES-CQSZACIVSA-N 2 2 359.861 2.811 10 0 FFAELP Cc1cccc(N2CCC(NC(=O)NCc3ccn4cc[nH+]c4c3)CC2)[nH+]1 ZINC000177957086 510346260 /nfs/dbraw/zinc/34/62/60/510346260.db2.gz QDXJERXVYVSWJG-UHFFFAOYSA-N 2 2 364.453 2.506 10 0 FFAELP CCn1c2ccc(F)cc2nc1C[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000174886438 510367371 /nfs/dbraw/zinc/36/73/71/510367371.db2.gz FIHJCPVCFFXAOS-GOSISDBHSA-N 2 2 373.520 2.797 10 0 FFAELP CCn1c2ccc(F)cc2nc1C[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000174886438 510367376 /nfs/dbraw/zinc/36/73/76/510367376.db2.gz FIHJCPVCFFXAOS-GOSISDBHSA-N 2 2 373.520 2.797 10 0 FFAELP CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)C12CCCC2 ZINC000181477386 510431407 /nfs/dbraw/zinc/43/14/07/510431407.db2.gz ZFWLPRGPZBYESE-PCCBWWKXSA-N 2 2 358.526 2.733 10 0 FFAELP CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)C12CCCC2 ZINC000181477386 510431411 /nfs/dbraw/zinc/43/14/11/510431411.db2.gz ZFWLPRGPZBYESE-PCCBWWKXSA-N 2 2 358.526 2.733 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@H](O)COCc1ccc(Cl)cc1 ZINC000178320794 510545184 /nfs/dbraw/zinc/54/51/84/510545184.db2.gz HDWNSZSUAVWDCS-MOPGFXCFSA-N 2 2 363.889 2.887 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@H](O)COCc1ccc(Cl)cc1 ZINC000178320794 510545192 /nfs/dbraw/zinc/54/51/92/510545192.db2.gz HDWNSZSUAVWDCS-MOPGFXCFSA-N 2 2 363.889 2.887 10 0 FFAELP CCOc1ccccc1NC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246574061 510563328 /nfs/dbraw/zinc/56/33/28/510563328.db2.gz LNLZWSFDWCPNEB-QFBILLFUSA-N 2 2 357.498 2.973 10 0 FFAELP CCOc1ccccc1NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246574061 510563332 /nfs/dbraw/zinc/56/33/32/510563332.db2.gz LNLZWSFDWCPNEB-QFBILLFUSA-N 2 2 357.498 2.973 10 0 FFAELP CCOc1ccccc1NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246574061 510563338 /nfs/dbraw/zinc/56/33/38/510563338.db2.gz LNLZWSFDWCPNEB-QFBILLFUSA-N 2 2 357.498 2.973 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000175694513 510738244 /nfs/dbraw/zinc/73/82/44/510738244.db2.gz NJYYTJHQZDDSHT-GOSISDBHSA-N 2 2 368.485 2.561 10 0 FFAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CCCCCC2)C1 ZINC000195257141 510740481 /nfs/dbraw/zinc/74/04/81/510740481.db2.gz QZDUUJTYWHCWJV-KRWDZBQOSA-N 2 2 364.559 2.608 10 0 FFAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CCCCCC2)C1 ZINC000195257141 510740490 /nfs/dbraw/zinc/74/04/90/510740490.db2.gz QZDUUJTYWHCWJV-KRWDZBQOSA-N 2 2 364.559 2.608 10 0 FFAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N2CCCCCC2)C1 ZINC000195257141 510740495 /nfs/dbraw/zinc/74/04/95/510740495.db2.gz QZDUUJTYWHCWJV-KRWDZBQOSA-N 2 2 364.559 2.608 10 0 FFAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N2CCCCCC2)C1 ZINC000195257141 510740505 /nfs/dbraw/zinc/74/05/05/510740505.db2.gz QZDUUJTYWHCWJV-KRWDZBQOSA-N 2 2 364.559 2.608 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)Nc1nc2ccccc2s1 ZINC000178745490 510749975 /nfs/dbraw/zinc/74/99/75/510749975.db2.gz VVLGENQATHOSAO-CQSZACIVSA-N 2 2 355.467 2.904 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)Nc1nc2ccccc2s1 ZINC000178745490 510749983 /nfs/dbraw/zinc/74/99/83/510749983.db2.gz VVLGENQATHOSAO-CQSZACIVSA-N 2 2 355.467 2.904 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000175736544 510762912 /nfs/dbraw/zinc/76/29/12/510762912.db2.gz YPIALPBPOBHYDU-GOSISDBHSA-N 2 2 368.485 2.561 10 0 FFAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+]([C@@H]2CCN(c3ccccc3)C2=O)C1 ZINC000195293265 510765928 /nfs/dbraw/zinc/76/59/28/510765928.db2.gz CHSNNUUQDVQTKA-PZJWPPBQSA-N 2 2 364.493 2.641 10 0 FFAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+]([C@@H]2CCN(c3ccccc3)C2=O)C1 ZINC000195293265 510765932 /nfs/dbraw/zinc/76/59/32/510765932.db2.gz CHSNNUUQDVQTKA-PZJWPPBQSA-N 2 2 364.493 2.641 10 0 FFAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+]([C@@H]2CCN(c3ccccc3)C2=O)C1 ZINC000195293265 510765939 /nfs/dbraw/zinc/76/59/39/510765939.db2.gz CHSNNUUQDVQTKA-PZJWPPBQSA-N 2 2 364.493 2.641 10 0 FFAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+]([C@@H]2CCN(c3ccccc3)C2=O)C1 ZINC000195293265 510765944 /nfs/dbraw/zinc/76/59/44/510765944.db2.gz CHSNNUUQDVQTKA-PZJWPPBQSA-N 2 2 364.493 2.641 10 0 FFAELP O[C@@H](C[NH2+]Cc1ccc(Br)o1)C[N@@H+]1CCc2ccccc2C1 ZINC000178901335 510828064 /nfs/dbraw/zinc/82/80/64/510828064.db2.gz DNOQEPAOTWWCNI-HNNXBMFYSA-N 2 2 365.271 2.551 10 0 FFAELP O[C@@H](C[NH2+]Cc1ccc(Br)o1)C[N@H+]1CCc2ccccc2C1 ZINC000178901335 510828072 /nfs/dbraw/zinc/82/80/72/510828072.db2.gz DNOQEPAOTWWCNI-HNNXBMFYSA-N 2 2 365.271 2.551 10 0 FFAELP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000247323805 510857052 /nfs/dbraw/zinc/85/70/52/510857052.db2.gz MPCSOLKNCROQTH-RHSMWYFYSA-N 2 2 359.449 2.539 10 0 FFAELP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000247323805 510857053 /nfs/dbraw/zinc/85/70/53/510857053.db2.gz MPCSOLKNCROQTH-RHSMWYFYSA-N 2 2 359.449 2.539 10 0 FFAELP O[C@H](COc1ccccc1Cl)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000247392113 510859397 /nfs/dbraw/zinc/85/93/97/510859397.db2.gz QEYDDEISFRATJJ-HOTGVXAUSA-N 2 2 361.873 2.909 10 0 FFAELP O[C@H](COc1ccccc1Cl)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000247392113 510859398 /nfs/dbraw/zinc/85/93/98/510859398.db2.gz QEYDDEISFRATJJ-HOTGVXAUSA-N 2 2 361.873 2.909 10 0 FFAELP C[NH+](C)C[C@](C)(O)c1ccc2c(c1)C[N@@H+](Cc1cccc(F)c1)CCO2 ZINC000014993415 220140728 /nfs/dbraw/zinc/14/07/28/220140728.db2.gz WLXRCCRMLJNSEA-NRFANRHFSA-N 2 2 358.457 2.989 10 0 FFAELP C[NH+](C)C[C@](C)(O)c1ccc2c(c1)C[N@H+](Cc1cccc(F)c1)CCO2 ZINC000014993415 220140732 /nfs/dbraw/zinc/14/07/32/220140732.db2.gz WLXRCCRMLJNSEA-NRFANRHFSA-N 2 2 358.457 2.989 10 0 FFAELP O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105115772 250199891 /nfs/dbraw/zinc/19/98/91/250199891.db2.gz RSTLVMAUOCIKNC-IBGZPJMESA-N 2 2 371.529 2.842 10 0 FFAELP O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000105115772 250199893 /nfs/dbraw/zinc/19/98/93/250199893.db2.gz RSTLVMAUOCIKNC-IBGZPJMESA-N 2 2 371.529 2.842 10 0 FFAELP Cn1cc[nH+]c1[C@H](NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1cccc(F)c1 ZINC000105095593 250199103 /nfs/dbraw/zinc/19/91/03/250199103.db2.gz AJXGBVLFEBLUSO-QZTJIDSGSA-N 2 2 371.460 2.528 10 0 FFAELP Cn1cc[nH+]c1[C@H](NC(=O)N1CC[N@H+]2CCCC[C@@H]2C1)c1cccc(F)c1 ZINC000105095593 250199108 /nfs/dbraw/zinc/19/91/08/250199108.db2.gz AJXGBVLFEBLUSO-QZTJIDSGSA-N 2 2 371.460 2.528 10 0 FFAELP C[N@@H+](Cc1noc(C2CC2)n1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000106127042 250241694 /nfs/dbraw/zinc/24/16/94/250241694.db2.gz ARAPXMKHQQDURK-IBGZPJMESA-N 2 2 370.497 2.824 10 0 FFAELP C[N@H+](Cc1noc(C2CC2)n1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000106127042 250241699 /nfs/dbraw/zinc/24/16/99/250241699.db2.gz ARAPXMKHQQDURK-IBGZPJMESA-N 2 2 370.497 2.824 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)Nc2cc(OC)cc(OC)c2)C1 ZINC000106214823 250255673 /nfs/dbraw/zinc/25/56/73/250255673.db2.gz OZQLEEUCTAIZSP-MRXNPFEDSA-N 2 2 372.469 2.738 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(OC)cc(OC)c2)C1 ZINC000106214823 250255676 /nfs/dbraw/zinc/25/56/76/250255676.db2.gz OZQLEEUCTAIZSP-MRXNPFEDSA-N 2 2 372.469 2.738 10 0 FFAELP C[C@H](NC(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21)c1cccc(-n2cc[nH+]c2)c1 ZINC000332833509 258242607 /nfs/dbraw/zinc/24/26/07/258242607.db2.gz GUUFLUZOYLDIGN-FCEWJHQRSA-N 2 2 353.470 2.669 10 0 FFAELP C[C@H](NC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21)c1cccc(-n2cc[nH+]c2)c1 ZINC000332833509 258242608 /nfs/dbraw/zinc/24/26/08/258242608.db2.gz GUUFLUZOYLDIGN-FCEWJHQRSA-N 2 2 353.470 2.669 10 0 FFAELP COc1ccccc1N1CC[NH+](C2CC[NH+]([C@@H]3CCSC3)CC2)CC1 ZINC000244969166 132376480 /nfs/dbraw/zinc/37/64/80/132376480.db2.gz HCGIFMGASLGEHX-GOSISDBHSA-N 2 2 361.555 2.787 10 0 FFAELP Cc1nc(N2CC[NH+](CC(C)(C)O)CC2)c(Cc2ccccc2F)c(C)[nH+]1 ZINC000036316568 506402111 /nfs/dbraw/zinc/40/21/11/506402111.db2.gz MINVNWXXGDTGBH-UHFFFAOYSA-N 2 2 372.488 2.716 10 0 FFAELP C[NH+](C)C[C@@H](NC(=O)NCc1ccc(N2CCCC2)[nH+]c1)c1ccccc1 ZINC000048215392 507481688 /nfs/dbraw/zinc/48/16/88/507481688.db2.gz ZYNIUUCBHUBSQD-LJQANCHMSA-N 2 2 367.497 2.784 10 0 FFAELP C[C@H](NC(=O)NCCC1CC[NH+](C)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000074086199 507984626 /nfs/dbraw/zinc/98/46/26/507984626.db2.gz LPJNLPKQMGCEDU-INIZCTEOSA-N 2 2 355.486 2.964 10 0 FFAELP C[C@@H](NC(=O)N(C)C[C@H]1CCC[N@H+](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000074875942 508066907 /nfs/dbraw/zinc/06/69/07/508066907.db2.gz BOTAPRAUYRJYLL-SJORKVTESA-N 2 2 355.486 2.917 10 0 FFAELP C[C@@H](NC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000074875942 508066908 /nfs/dbraw/zinc/06/69/08/508066908.db2.gz BOTAPRAUYRJYLL-SJORKVTESA-N 2 2 355.486 2.917 10 0 FFAELP COc1ccc([C@@H](C)[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)cc1F ZINC000098143861 508237195 /nfs/dbraw/zinc/23/71/95/508237195.db2.gz IQJOXNORCKXFBL-BEFAXECRSA-N 2 2 358.457 2.904 10 0 FFAELP COc1ccc([C@@H](C)[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)cc1F ZINC000098143861 508237197 /nfs/dbraw/zinc/23/71/97/508237197.db2.gz IQJOXNORCKXFBL-BEFAXECRSA-N 2 2 358.457 2.904 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@H](O)COCc2ccc(OC)cc2)C1 ZINC000106212255 508397919 /nfs/dbraw/zinc/39/79/19/508397919.db2.gz YEQUUIHBEGZHOT-MOPGFXCFSA-N 2 2 373.497 2.669 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@H](O)COCc2ccc(OC)cc2)C1 ZINC000106212255 508397920 /nfs/dbraw/zinc/39/79/20/508397920.db2.gz YEQUUIHBEGZHOT-MOPGFXCFSA-N 2 2 373.497 2.669 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@H](O)COCc2ccc(OC)cc2)C1 ZINC000106212259 508397973 /nfs/dbraw/zinc/39/79/73/508397973.db2.gz YEQUUIHBEGZHOT-OALUTQOASA-N 2 2 373.497 2.669 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@H](O)COCc2ccc(OC)cc2)C1 ZINC000106212259 508397974 /nfs/dbraw/zinc/39/79/74/508397974.db2.gz YEQUUIHBEGZHOT-OALUTQOASA-N 2 2 373.497 2.669 10 0 FFAELP COc1ccc([C@H]2CCCN2C(=O)C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000152493788 508458156 /nfs/dbraw/zinc/45/81/56/508458156.db2.gz YNYNUIHJMSMEOW-YLJYHZDGSA-N 2 2 359.514 2.632 10 0 FFAELP COc1ccc([C@H]2CCCN2C(=O)C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000152493788 508458159 /nfs/dbraw/zinc/45/81/59/508458159.db2.gz YNYNUIHJMSMEOW-YLJYHZDGSA-N 2 2 359.514 2.632 10 0 FFAELP COc1ccc([C@H]2CCCN2C(=O)C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000152493788 508458162 /nfs/dbraw/zinc/45/81/62/508458162.db2.gz YNYNUIHJMSMEOW-YLJYHZDGSA-N 2 2 359.514 2.632 10 0 FFAELP COc1ccc([C@H]2CCCN2C(=O)C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000152493788 508458165 /nfs/dbraw/zinc/45/81/65/508458165.db2.gz YNYNUIHJMSMEOW-YLJYHZDGSA-N 2 2 359.514 2.632 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccccc2OCC(=O)N(C)C)C1 ZINC000122909013 508605739 /nfs/dbraw/zinc/60/57/39/508605739.db2.gz HQGITTOCKBSGST-GOSISDBHSA-N 2 2 370.497 2.750 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccccc2OCC(=O)N(C)C)C1 ZINC000122909013 508605744 /nfs/dbraw/zinc/60/57/44/508605744.db2.gz HQGITTOCKBSGST-GOSISDBHSA-N 2 2 370.497 2.750 10 0 FFAELP Cc1ccc(N2CCC(NC(=O)c3cccc(-n4cc[nH+]c4)c3)CC2)[nH+]c1 ZINC000157843035 508620918 /nfs/dbraw/zinc/62/09/18/508620918.db2.gz AXBXKKXAWAQUFD-UHFFFAOYSA-N 2 2 361.449 2.975 10 0 FFAELP CC(C)OCC[NH+]1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000158053185 508650497 /nfs/dbraw/zinc/65/04/97/508650497.db2.gz OVWUKTVACLXKKU-UGKGYDQZSA-N 3 2 374.573 2.771 10 0 FFAELP CC(C)OCC[NH+]1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000158053185 508650499 /nfs/dbraw/zinc/65/04/99/508650499.db2.gz OVWUKTVACLXKKU-UGKGYDQZSA-N 3 2 374.573 2.771 10 0 FFAELP CC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1 ZINC000154569551 508811217 /nfs/dbraw/zinc/81/12/17/508811217.db2.gz YSAWZANSYVLNQD-LIRRHRJNSA-N 2 2 354.454 2.886 10 0 FFAELP CC(=O)c1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1 ZINC000154569551 508811220 /nfs/dbraw/zinc/81/12/20/508811220.db2.gz YSAWZANSYVLNQD-LIRRHRJNSA-N 2 2 354.454 2.886 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@H](O)COc2cccc(C(C)=O)c2)C1 ZINC000155223688 508951824 /nfs/dbraw/zinc/95/18/24/508951824.db2.gz ATDZVRJSXSXIPA-MOPGFXCFSA-N 2 2 371.481 2.725 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@H](O)COc2cccc(C(C)=O)c2)C1 ZINC000155223688 508951826 /nfs/dbraw/zinc/95/18/26/508951826.db2.gz ATDZVRJSXSXIPA-MOPGFXCFSA-N 2 2 371.481 2.725 10 0 FFAELP COc1cc(OC)c([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)cc1Cl ZINC000151328449 508999873 /nfs/dbraw/zinc/99/98/73/508999873.db2.gz PQVUFURJZVDASY-KBPBESRZSA-N 2 2 356.894 2.855 10 0 FFAELP C[C@@H]1CCCN(c2cc(N3CCC[C@H](Cc4[nH+]ccn4C)C3)nc[nH+]2)C1 ZINC000132538051 509042074 /nfs/dbraw/zinc/04/20/74/509042074.db2.gz ZTFCQQWVITZCNF-IAGOWNOFSA-N 2 2 354.502 2.906 10 0 FFAELP C[C@@H]1CCCN(c2cc(N3CCC[C@H](Cc4[nH+]ccn4C)C3)[nH+]cn2)C1 ZINC000132538051 509042078 /nfs/dbraw/zinc/04/20/78/509042078.db2.gz ZTFCQQWVITZCNF-IAGOWNOFSA-N 2 2 354.502 2.906 10 0 FFAELP Cc1[nH+]ccn1CCCN(C)C(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000121541427 509177995 /nfs/dbraw/zinc/17/79/95/509177995.db2.gz AWLPOSIHAXQCBQ-UHFFFAOYSA-N 2 2 370.501 2.595 10 0 FFAELP COC(=O)c1cc2cc(C[NH+]3CCC([N@@H+]4CCO[C@@H](C)C4)CC3)ccc2o1 ZINC000172798830 509244043 /nfs/dbraw/zinc/24/40/43/509244043.db2.gz DDFOTKVMWQIYKM-HNNXBMFYSA-N 2 2 372.465 2.905 10 0 FFAELP COC(=O)c1cc2cc(C[NH+]3CCC([N@H+]4CCO[C@@H](C)C4)CC3)ccc2o1 ZINC000172798830 509244045 /nfs/dbraw/zinc/24/40/45/509244045.db2.gz DDFOTKVMWQIYKM-HNNXBMFYSA-N 2 2 372.465 2.905 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000175980071 509253919 /nfs/dbraw/zinc/25/39/19/509253919.db2.gz BVXCJKIMWUXUKV-GOSISDBHSA-N 2 2 364.453 2.751 10 0 FFAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+]([C@H]2CCN(c3ccccc3)C2=O)C1 ZINC000248641072 509408462 /nfs/dbraw/zinc/40/84/62/509408462.db2.gz CHSNNUUQDVQTKA-FPOVZHCZSA-N 2 2 364.493 2.641 10 0 FFAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+]([C@H]2CCN(c3ccccc3)C2=O)C1 ZINC000248641072 509408468 /nfs/dbraw/zinc/40/84/68/509408468.db2.gz CHSNNUUQDVQTKA-FPOVZHCZSA-N 2 2 364.493 2.641 10 0 FFAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+]([C@H]2CCN(c3ccccc3)C2=O)C1 ZINC000248641072 509408480 /nfs/dbraw/zinc/40/84/80/509408480.db2.gz CHSNNUUQDVQTKA-FPOVZHCZSA-N 2 2 364.493 2.641 10 0 FFAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+]([C@H]2Cc3ccccc3[C@H]2O)C1 ZINC000248662526 509426172 /nfs/dbraw/zinc/42/61/72/509426172.db2.gz YJOARDRNFJRCFI-ZAAXVRCTSA-N 2 2 357.523 2.864 10 0 FFAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+]([C@H]2Cc3ccccc3[C@H]2O)C1 ZINC000248662526 509426181 /nfs/dbraw/zinc/42/61/81/509426181.db2.gz YJOARDRNFJRCFI-ZAAXVRCTSA-N 2 2 357.523 2.864 10 0 FFAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2Cc3ccccc3[C@H]2O)C1 ZINC000248662526 509426190 /nfs/dbraw/zinc/42/61/90/509426190.db2.gz YJOARDRNFJRCFI-ZAAXVRCTSA-N 2 2 357.523 2.864 10 0 FFAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+]([C@H]2Cc3ccccc3[C@H]2O)C1 ZINC000248662526 509426195 /nfs/dbraw/zinc/42/61/95/509426195.db2.gz YJOARDRNFJRCFI-ZAAXVRCTSA-N 2 2 357.523 2.864 10 0 FFAELP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000176370438 509470971 /nfs/dbraw/zinc/47/09/71/509470971.db2.gz HJLKBMXRICLOFJ-YOEHRIQHSA-N 2 2 368.472 2.693 10 0 FFAELP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000176370438 509470977 /nfs/dbraw/zinc/47/09/77/509470977.db2.gz HJLKBMXRICLOFJ-YOEHRIQHSA-N 2 2 368.472 2.693 10 0 FFAELP COc1ccc([C@@H](C)[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)cc1OC ZINC000173315928 509527178 /nfs/dbraw/zinc/52/71/78/509527178.db2.gz MKCFHNAULVMWFT-UZLBHIALSA-N 2 2 370.493 2.774 10 0 FFAELP COc1ccc([C@@H](C)[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)cc1OC ZINC000173315928 509527187 /nfs/dbraw/zinc/52/71/87/509527187.db2.gz MKCFHNAULVMWFT-UZLBHIALSA-N 2 2 370.493 2.774 10 0 FFAELP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)C12CCOCC2 ZINC000249067307 509590165 /nfs/dbraw/zinc/59/01/65/509590165.db2.gz ZOMNEWDQMFCXCL-AYWYSENESA-N 2 2 373.541 2.856 10 0 FFAELP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)C12CCOCC2 ZINC000249067307 509590171 /nfs/dbraw/zinc/59/01/71/509590171.db2.gz ZOMNEWDQMFCXCL-AYWYSENESA-N 2 2 373.541 2.856 10 0 FFAELP CCO[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccncc3)CC2)C12CCOCC2 ZINC000186258337 509606983 /nfs/dbraw/zinc/60/69/83/509606983.db2.gz NPSMCDMHHGAVRU-PMACEKPBSA-N 2 2 359.514 2.610 10 0 FFAELP C[NH+](C)Cc1cccc(CNC(=O)N2CCCN(c3cccc[nH+]3)CC2)c1 ZINC000186344163 509660435 /nfs/dbraw/zinc/66/04/35/509660435.db2.gz GLUUFKCXYSWOCS-UHFFFAOYSA-N 2 2 367.497 2.565 10 0 FFAELP C[NH+](C)CC[C@@H](NC(=O)N1CCCN(c2cccc[nH+]2)CC1)C(C)(C)C ZINC000186503128 509743223 /nfs/dbraw/zinc/74/32/23/509743223.db2.gz GJHDYVVRWNTKTF-QGZVFWFLSA-N 2 2 361.534 2.670 10 0 FFAELP OCC[NH+]1CCC([C@H]2c3nccn3CCC[N@H+]2CCc2ccccc2)CC1 ZINC000257193152 509953696 /nfs/dbraw/zinc/95/36/96/509953696.db2.gz XJOFUIXGEXDILB-NRFANRHFSA-N 2 2 368.525 2.577 10 0 FFAELP OCC[NH+]1CCC([C@H]2c3nccn3CCC[N@@H+]2CCc2ccccc2)CC1 ZINC000257193152 509953704 /nfs/dbraw/zinc/95/37/04/509953704.db2.gz XJOFUIXGEXDILB-NRFANRHFSA-N 2 2 368.525 2.577 10 0 FFAELP CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177353347 510009223 /nfs/dbraw/zinc/00/92/23/510009223.db2.gz RHTAKNKYJSFHGL-INIZCTEOSA-N 2 2 357.458 2.756 10 0 FFAELP CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177353347 510009228 /nfs/dbraw/zinc/00/92/28/510009228.db2.gz RHTAKNKYJSFHGL-INIZCTEOSA-N 2 2 357.458 2.756 10 0 FFAELP Cc1ccc([C@@H](C)[NH2+]CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)o1 ZINC000171234884 510026746 /nfs/dbraw/zinc/02/67/46/510026746.db2.gz MVLJLGGRUGAXLA-GOSISDBHSA-N 2 2 355.482 2.891 10 0 FFAELP C[C@H]([NH2+]Cc1nc2ccccc2c(=O)n1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180645065 510031174 /nfs/dbraw/zinc/03/11/74/510031174.db2.gz PNOFCNJNSJAEIC-HNNXBMFYSA-N 2 2 359.433 2.970 10 0 FFAELP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000177391240 510032378 /nfs/dbraw/zinc/03/23/78/510032378.db2.gz RZEKHAGHIMWYNH-IBGZPJMESA-N 2 2 373.545 2.944 10 0 FFAELP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000177391240 510032386 /nfs/dbraw/zinc/03/23/86/510032386.db2.gz RZEKHAGHIMWYNH-IBGZPJMESA-N 2 2 373.545 2.944 10 0 FFAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2nc(C(C)(C)C)no2)nc[nH+]1 ZINC000174285663 510038837 /nfs/dbraw/zinc/03/88/37/510038837.db2.gz UOTFOJZHVMXFKD-STQMWFEESA-N 2 2 359.478 2.518 10 0 FFAELP CCCCc1noc([C@H](C)[NH2+]C[C@@H]2CCCN2c2cc(NC)[nH+]cn2)n1 ZINC000174287642 510040230 /nfs/dbraw/zinc/04/02/30/510040230.db2.gz DTUJACJBRYUZKS-KBPBESRZSA-N 2 2 359.478 2.564 10 0 FFAELP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000177433743 510055604 /nfs/dbraw/zinc/05/56/04/510055604.db2.gz BJQIVXBXPWEDNQ-MRXNPFEDSA-N 2 2 359.449 2.637 10 0 FFAELP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000177433743 510055609 /nfs/dbraw/zinc/05/56/09/510055609.db2.gz BJQIVXBXPWEDNQ-MRXNPFEDSA-N 2 2 359.449 2.637 10 0 FFAELP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(c3cccnn3)C2)C[N@@H+]1Cc1ccccc1 ZINC000245724599 510109903 /nfs/dbraw/zinc/10/99/03/510109903.db2.gz IFHOJZLWESJPNV-YZGWKJHDSA-N 2 2 351.498 2.698 10 0 FFAELP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(c3cccnn3)C2)C[N@H+]1Cc1ccccc1 ZINC000245724599 510109910 /nfs/dbraw/zinc/10/99/10/510109910.db2.gz IFHOJZLWESJPNV-YZGWKJHDSA-N 2 2 351.498 2.698 10 0 FFAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(C(N)=O)cs2)C1 ZINC000190462916 510146337 /nfs/dbraw/zinc/14/63/37/510146337.db2.gz ULNCNUIDFRYQPB-ZDUSSCGKSA-N 2 2 364.540 2.566 10 0 FFAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(C(N)=O)cs2)C1 ZINC000190462916 510146343 /nfs/dbraw/zinc/14/63/43/510146343.db2.gz ULNCNUIDFRYQPB-ZDUSSCGKSA-N 2 2 364.540 2.566 10 0 FFAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(C(N)=O)cs2)C1 ZINC000190462916 510146350 /nfs/dbraw/zinc/14/63/50/510146350.db2.gz ULNCNUIDFRYQPB-ZDUSSCGKSA-N 2 2 364.540 2.566 10 0 FFAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2ccc3c(c2)OCCO3)C1 ZINC000190486003 510159554 /nfs/dbraw/zinc/15/95/54/510159554.db2.gz VCNHZJVBONQGHA-IBGZPJMESA-N 2 2 353.466 2.807 10 0 FFAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2ccc3c(c2)OCCO3)C1 ZINC000190486003 510159563 /nfs/dbraw/zinc/15/95/63/510159563.db2.gz VCNHZJVBONQGHA-IBGZPJMESA-N 2 2 353.466 2.807 10 0 FFAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](Cc2ccc3c(c2)OCCO3)C1 ZINC000190486003 510159571 /nfs/dbraw/zinc/15/95/71/510159571.db2.gz VCNHZJVBONQGHA-IBGZPJMESA-N 2 2 353.466 2.807 10 0 FFAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)OCCO3)C1 ZINC000190486003 510159577 /nfs/dbraw/zinc/15/95/77/510159577.db2.gz VCNHZJVBONQGHA-IBGZPJMESA-N 2 2 353.466 2.807 10 0 FFAELP O=C([C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177794616 510257339 /nfs/dbraw/zinc/25/73/39/510257339.db2.gz CKRMHTOSMAYZQL-UYAOXDASSA-N 2 2 370.472 2.925 10 0 FFAELP O=C([C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177794616 510257350 /nfs/dbraw/zinc/25/73/50/510257350.db2.gz CKRMHTOSMAYZQL-UYAOXDASSA-N 2 2 370.472 2.925 10 0 FFAELP Cc1cc(NC(=O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)n(C(C)(C)C)n1 ZINC000171641111 510269619 /nfs/dbraw/zinc/26/96/19/510269619.db2.gz DCZXCXJQGOMTNN-INIZCTEOSA-N 2 2 370.501 2.714 10 0 FFAELP Cc1cc(NC(=O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)n(C(C)(C)C)n1 ZINC000171641111 510269626 /nfs/dbraw/zinc/26/96/26/510269626.db2.gz DCZXCXJQGOMTNN-INIZCTEOSA-N 2 2 370.501 2.714 10 0 FFAELP CCc1nc(NC(=O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)sc1C ZINC000171641857 510269769 /nfs/dbraw/zinc/26/97/69/510269769.db2.gz QYYRGNWNZRXUNS-AWEZNQCLSA-N 2 2 359.499 2.781 10 0 FFAELP CCc1nc(NC(=O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)sc1C ZINC000171641857 510269777 /nfs/dbraw/zinc/26/97/77/510269777.db2.gz QYYRGNWNZRXUNS-AWEZNQCLSA-N 2 2 359.499 2.781 10 0 FFAELP C[C@@H](C(=O)N1CCc2ccccc21)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171646409 510274168 /nfs/dbraw/zinc/27/41/68/510274168.db2.gz SKSVARAWSXDGGD-DLBZAZTESA-N 2 2 350.466 2.793 10 0 FFAELP C[C@@H](C(=O)N1CCc2ccccc21)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171646409 510274175 /nfs/dbraw/zinc/27/41/75/510274175.db2.gz SKSVARAWSXDGGD-DLBZAZTESA-N 2 2 350.466 2.793 10 0 FFAELP CC(=O)c1ccc(NC(=O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171647861 510278073 /nfs/dbraw/zinc/27/80/73/510278073.db2.gz NQHZNRQWDSYLMQ-INIZCTEOSA-N 2 2 352.438 2.657 10 0 FFAELP CC(=O)c1ccc(NC(=O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171647861 510278079 /nfs/dbraw/zinc/27/80/79/510278079.db2.gz NQHZNRQWDSYLMQ-INIZCTEOSA-N 2 2 352.438 2.657 10 0 FFAELP COc1cccc(NC(=O)C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)c1 ZINC000171653458 510284710 /nfs/dbraw/zinc/28/47/10/510284710.db2.gz XLKAUTUIXZFIQQ-MRXNPFEDSA-N 2 2 354.454 2.771 10 0 FFAELP COc1cccc(NC(=O)C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)c1 ZINC000171653458 510284716 /nfs/dbraw/zinc/28/47/16/510284716.db2.gz XLKAUTUIXZFIQQ-MRXNPFEDSA-N 2 2 354.454 2.771 10 0 FFAELP CC(=O)c1ccc(NC(=O)C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)cc1 ZINC000171653271 510284841 /nfs/dbraw/zinc/28/48/41/510284841.db2.gz QAVNQSRCWLFHTM-KRWDZBQOSA-N 2 2 366.465 2.965 10 0 FFAELP CC(=O)c1ccc(NC(=O)C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)cc1 ZINC000171653271 510284847 /nfs/dbraw/zinc/28/48/47/510284847.db2.gz QAVNQSRCWLFHTM-KRWDZBQOSA-N 2 2 366.465 2.965 10 0 FFAELP CC(C)n1nccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246195388 510353756 /nfs/dbraw/zinc/35/37/56/510353756.db2.gz WYAGRYJIDZSOFK-CVEARBPZSA-N 2 2 356.474 2.620 10 0 FFAELP CC(C)n1nccc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246195388 510353763 /nfs/dbraw/zinc/35/37/63/510353763.db2.gz WYAGRYJIDZSOFK-CVEARBPZSA-N 2 2 356.474 2.620 10 0 FFAELP Cc1ccccc1CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246203621 510359074 /nfs/dbraw/zinc/35/90/74/510359074.db2.gz XZRHWJUPEMDGTD-MOPGFXCFSA-N 2 2 366.509 2.871 10 0 FFAELP Cc1ccccc1CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246203621 510359082 /nfs/dbraw/zinc/35/90/82/510359082.db2.gz XZRHWJUPEMDGTD-MOPGFXCFSA-N 2 2 366.509 2.871 10 0 FFAELP C[NH+]1CCN([C@H]2CCCC[N@H+](Cc3csc(-c4ccccn4)n3)C2)CC1 ZINC000174897599 510374151 /nfs/dbraw/zinc/37/41/51/510374151.db2.gz IJIZPVHODSPNSR-SFHVURJKSA-N 2 2 371.554 2.807 10 0 FFAELP C[NH+]1CCN([C@H]2CCCC[N@@H+](Cc3csc(-c4ccccn4)n3)C2)CC1 ZINC000174897599 510374157 /nfs/dbraw/zinc/37/41/57/510374157.db2.gz IJIZPVHODSPNSR-SFHVURJKSA-N 2 2 371.554 2.807 10 0 FFAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000246228181 510377754 /nfs/dbraw/zinc/37/77/54/510377754.db2.gz MFOPXYJNIFLUPB-HOJAQTOUSA-N 2 2 351.498 2.556 10 0 FFAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000246228181 510377762 /nfs/dbraw/zinc/37/77/62/510377762.db2.gz MFOPXYJNIFLUPB-HOJAQTOUSA-N 2 2 351.498 2.556 10 0 FFAELP COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c(OC)c1 ZINC000178284424 510525751 /nfs/dbraw/zinc/52/57/51/510525751.db2.gz OLPCEIORJBKVIT-HOCLYGCPSA-N 2 2 372.469 2.700 10 0 FFAELP COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c(OC)c1 ZINC000178284424 510525757 /nfs/dbraw/zinc/52/57/57/510525757.db2.gz OLPCEIORJBKVIT-HOCLYGCPSA-N 2 2 372.469 2.700 10 0 FFAELP CCOC(=O)c1c[nH+]c2ccccc2c1N1CC[N@H+](C[C@H](C)O)[C@@H](CC)C1 ZINC000246687683 510617729 /nfs/dbraw/zinc/61/77/29/510617729.db2.gz YPTPJKHMJOSMKY-HOTGVXAUSA-N 2 2 371.481 2.693 10 0 FFAELP CCOC(=O)c1c[nH+]c2ccccc2c1N1CC[N@@H+](C[C@H](C)O)[C@@H](CC)C1 ZINC000246687683 510617735 /nfs/dbraw/zinc/61/77/35/510617735.db2.gz YPTPJKHMJOSMKY-HOTGVXAUSA-N 2 2 371.481 2.693 10 0 FFAELP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)Nc3ccc(Br)cc3)CC[C@H]21 ZINC000246912807 510740777 /nfs/dbraw/zinc/74/07/77/510740777.db2.gz MRQJGNPAPQSILZ-CZUORRHYSA-N 2 2 366.303 2.804 10 0 FFAELP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)Nc3ccc(Br)cc3)CC[C@H]21 ZINC000246912807 510740785 /nfs/dbraw/zinc/74/07/85/510740785.db2.gz MRQJGNPAPQSILZ-CZUORRHYSA-N 2 2 366.303 2.804 10 0 FFAELP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)Nc3ccc(Br)cc3)CC[C@H]21 ZINC000246912807 510740791 /nfs/dbraw/zinc/74/07/91/510740791.db2.gz MRQJGNPAPQSILZ-CZUORRHYSA-N 2 2 366.303 2.804 10 0 FFAELP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)Nc3ccc(Br)cc3)CC[C@H]21 ZINC000246912807 510740800 /nfs/dbraw/zinc/74/08/00/510740800.db2.gz MRQJGNPAPQSILZ-CZUORRHYSA-N 2 2 366.303 2.804 10 0 FFAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](CCO[C@@H]2CCCCO2)C1 ZINC000195257324 510741389 /nfs/dbraw/zinc/74/13/89/510741389.db2.gz FIIIWFSYUBKNBT-SJLPKXTDSA-N 2 2 353.532 2.748 10 0 FFAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](CCO[C@@H]2CCCCO2)C1 ZINC000195257324 510741398 /nfs/dbraw/zinc/74/13/98/510741398.db2.gz FIIIWFSYUBKNBT-SJLPKXTDSA-N 2 2 353.532 2.748 10 0 FFAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](CCO[C@@H]2CCCCO2)C1 ZINC000195257324 510741405 /nfs/dbraw/zinc/74/14/05/510741405.db2.gz FIIIWFSYUBKNBT-SJLPKXTDSA-N 2 2 353.532 2.748 10 0 FFAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](CCO[C@@H]2CCCCO2)C1 ZINC000195257324 510741414 /nfs/dbraw/zinc/74/14/14/510741414.db2.gz FIIIWFSYUBKNBT-SJLPKXTDSA-N 2 2 353.532 2.748 10 0 FFAELP Cc1cnn([C@@H]2CCC[N@H+](C[C@H](O)Cn3c[nH+]c4cc(C)c(C)cc43)C2)c1 ZINC000246912470 510741564 /nfs/dbraw/zinc/74/15/64/510741564.db2.gz AGLNPZZSHYMATI-MOPGFXCFSA-N 2 2 367.497 2.856 10 0 FFAELP Cc1cnn([C@@H]2CCC[N@@H+](C[C@H](O)Cn3c[nH+]c4cc(C)c(C)cc43)C2)c1 ZINC000246912470 510741570 /nfs/dbraw/zinc/74/15/70/510741570.db2.gz AGLNPZZSHYMATI-MOPGFXCFSA-N 2 2 367.497 2.856 10 0 FFAELP CCC[C@H](C(=O)OCC)[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195258428 510743239 /nfs/dbraw/zinc/74/32/39/510743239.db2.gz JJUYLYIHNQTCIN-HZPDHXFCSA-N 2 2 353.532 2.937 10 0 FFAELP CCC[C@H](C(=O)OCC)[N@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195258428 510743247 /nfs/dbraw/zinc/74/32/47/510743247.db2.gz JJUYLYIHNQTCIN-HZPDHXFCSA-N 2 2 353.532 2.937 10 0 FFAELP CCC[C@H](C(=O)OCC)[NH+]1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195258428 510743254 /nfs/dbraw/zinc/74/32/54/510743254.db2.gz JJUYLYIHNQTCIN-HZPDHXFCSA-N 2 2 353.532 2.937 10 0 FFAELP CCC[C@H](C(=O)OCC)[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195258428 510743259 /nfs/dbraw/zinc/74/32/59/510743259.db2.gz JJUYLYIHNQTCIN-HZPDHXFCSA-N 2 2 353.532 2.937 10 0 FFAELP CCC[C@@H](C(=O)OCC)[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195258419 510743396 /nfs/dbraw/zinc/74/33/96/510743396.db2.gz JJUYLYIHNQTCIN-CVEARBPZSA-N 2 2 353.532 2.937 10 0 FFAELP CCC[C@@H](C(=O)OCC)[N@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195258419 510743400 /nfs/dbraw/zinc/74/34/00/510743400.db2.gz JJUYLYIHNQTCIN-CVEARBPZSA-N 2 2 353.532 2.937 10 0 FFAELP CCC[C@@H](C(=O)OCC)[NH+]1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195258419 510743406 /nfs/dbraw/zinc/74/34/06/510743406.db2.gz JJUYLYIHNQTCIN-CVEARBPZSA-N 2 2 353.532 2.937 10 0 FFAELP CCC[C@@H](C(=O)OCC)[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195258419 510743409 /nfs/dbraw/zinc/74/34/09/510743409.db2.gz JJUYLYIHNQTCIN-CVEARBPZSA-N 2 2 353.532 2.937 10 0 FFAELP CNC(=O)c1cccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3scnc3C)C2)c1 ZINC000195261330 510744159 /nfs/dbraw/zinc/74/41/59/510744159.db2.gz KIRWUULAHSLZPK-KRWDZBQOSA-N 2 2 372.538 2.765 10 0 FFAELP CNC(=O)c1cccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3scnc3C)C2)c1 ZINC000195261330 510744166 /nfs/dbraw/zinc/74/41/66/510744166.db2.gz KIRWUULAHSLZPK-KRWDZBQOSA-N 2 2 372.538 2.765 10 0 FFAELP CNC(=O)c1cccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3scnc3C)C2)c1 ZINC000195261330 510744173 /nfs/dbraw/zinc/74/41/73/510744173.db2.gz KIRWUULAHSLZPK-KRWDZBQOSA-N 2 2 372.538 2.765 10 0 FFAELP CNC(=O)c1cccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3scnc3C)C2)c1 ZINC000195261330 510744177 /nfs/dbraw/zinc/74/41/77/510744177.db2.gz KIRWUULAHSLZPK-KRWDZBQOSA-N 2 2 372.538 2.765 10 0 FFAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)Cc2ccccc2)C1 ZINC000195262839 510744348 /nfs/dbraw/zinc/74/43/48/510744348.db2.gz VBFYICQMSFHQBQ-RTBURBONSA-N 2 2 359.539 2.809 10 0 FFAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)Cc2ccccc2)C1 ZINC000195262839 510744356 /nfs/dbraw/zinc/74/43/56/510744356.db2.gz VBFYICQMSFHQBQ-RTBURBONSA-N 2 2 359.539 2.809 10 0 FFAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)Cc2ccccc2)C1 ZINC000195262839 510744363 /nfs/dbraw/zinc/74/43/63/510744363.db2.gz VBFYICQMSFHQBQ-RTBURBONSA-N 2 2 359.539 2.809 10 0 FFAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)Cc2ccccc2)C1 ZINC000195262839 510744371 /nfs/dbraw/zinc/74/43/71/510744371.db2.gz VBFYICQMSFHQBQ-RTBURBONSA-N 2 2 359.539 2.809 10 0 FFAELP CCOC(=O)c1c(C)[nH]c(C(=O)C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1C ZINC000178751983 510754618 /nfs/dbraw/zinc/75/46/18/510754618.db2.gz QSJXQPJFHNJQOO-INIZCTEOSA-N 2 2 372.469 2.660 10 0 FFAELP CCOC(=O)c1c(C)[nH]c(C(=O)C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1C ZINC000178751983 510754626 /nfs/dbraw/zinc/75/46/26/510754626.db2.gz QSJXQPJFHNJQOO-INIZCTEOSA-N 2 2 372.469 2.660 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(OC(F)F)cc1 ZINC000178754341 510756326 /nfs/dbraw/zinc/75/63/26/510756326.db2.gz HOPYNGDKIOSXTF-OAHLLOKOSA-N 2 2 364.396 2.896 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(OC(F)F)cc1 ZINC000178754341 510756333 /nfs/dbraw/zinc/75/63/33/510756333.db2.gz HOPYNGDKIOSXTF-OAHLLOKOSA-N 2 2 364.396 2.896 10 0 FFAELP COC(=O)c1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)c(F)c1 ZINC000195295327 510767042 /nfs/dbraw/zinc/76/70/42/510767042.db2.gz YJGIXPCWRUGROX-QGZVFWFLSA-N 2 2 371.456 2.961 10 0 FFAELP COC(=O)c1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)c(F)c1 ZINC000195295327 510767049 /nfs/dbraw/zinc/76/70/49/510767049.db2.gz YJGIXPCWRUGROX-QGZVFWFLSA-N 2 2 371.456 2.961 10 0 FFAELP COC(=O)c1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)c(F)c1 ZINC000195295327 510767055 /nfs/dbraw/zinc/76/70/55/510767055.db2.gz YJGIXPCWRUGROX-QGZVFWFLSA-N 2 2 371.456 2.961 10 0 FFAELP COC(=O)c1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)c(F)c1 ZINC000195295327 510767062 /nfs/dbraw/zinc/76/70/62/510767062.db2.gz YJGIXPCWRUGROX-QGZVFWFLSA-N 2 2 371.456 2.961 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCOc2ccccc2C(=O)OC)C1 ZINC000182148076 510782648 /nfs/dbraw/zinc/78/26/48/510782648.db2.gz SOGADLCHBBIAJE-INIZCTEOSA-N 2 2 357.454 2.948 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCOc2ccccc2C(=O)OC)C1 ZINC000182148076 510782655 /nfs/dbraw/zinc/78/26/55/510782655.db2.gz SOGADLCHBBIAJE-INIZCTEOSA-N 2 2 357.454 2.948 10 0 FFAELP C[C@H]1CC[N@H+](Cc2cc(=O)n3cc(Cl)ccc3n2)C[C@H]1n1cc[nH+]c1 ZINC000247297226 510856010 /nfs/dbraw/zinc/85/60/10/510856010.db2.gz FGVNHUIFZPLBMC-XJKSGUPXSA-N 2 2 357.845 2.628 10 0 FFAELP C[C@H]1CC[N@@H+](Cc2cc(=O)n3cc(Cl)ccc3n2)C[C@H]1n1cc[nH+]c1 ZINC000247297226 510856011 /nfs/dbraw/zinc/85/60/11/510856011.db2.gz FGVNHUIFZPLBMC-XJKSGUPXSA-N 2 2 357.845 2.628 10 0 FFAELP CC[N@@H+]1CCC[C@@H](C[NH+](C)CCCn2cc[nH+]c2C)[C@@H]1c1cnn(C)c1 ZINC000328625107 529046260 /nfs/dbraw/zinc/04/62/60/529046260.db2.gz CSZKPQOSAHOEKF-AZUAARDMSA-N 3 2 358.534 2.720 10 0 FFAELP CC[N@H+]1CCC[C@@H](C[NH+](C)CCCn2cc[nH+]c2C)[C@@H]1c1cnn(C)c1 ZINC000328625107 529046264 /nfs/dbraw/zinc/04/62/64/529046264.db2.gz CSZKPQOSAHOEKF-AZUAARDMSA-N 3 2 358.534 2.720 10 0 FFAELP CC[NH+]1CCC[C@@H](C[N@H+](C)CCCn2cc[nH+]c2C)[C@@H]1c1cnn(C)c1 ZINC000328625107 529046270 /nfs/dbraw/zinc/04/62/70/529046270.db2.gz CSZKPQOSAHOEKF-AZUAARDMSA-N 3 2 358.534 2.720 10 0 FFAELP CC[NH+]1CCC[C@@H](C[N@@H+](C)CCCn2cc[nH+]c2C)[C@@H]1c1cnn(C)c1 ZINC000328625107 529046272 /nfs/dbraw/zinc/04/62/72/529046272.db2.gz CSZKPQOSAHOEKF-AZUAARDMSA-N 3 2 358.534 2.720 10 0 FFAELP Brc1cc2c(s1)CC[C@@H]2[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000312855491 729744028 /nfs/dbraw/zinc/74/40/28/729744028.db2.gz GXDMBSJRKLNZCD-WZRBSPASSA-N 2 2 357.317 2.951 10 0 FFAELP Brc1cc2c(s1)CC[C@@H]2[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000312855491 729744029 /nfs/dbraw/zinc/74/40/29/729744029.db2.gz GXDMBSJRKLNZCD-WZRBSPASSA-N 2 2 357.317 2.951 10 0 FFAELP Cc1cccc(NC[C@@H]2CC[N@H+](CCS(=O)(=O)c3ccccc3)C2)[nH+]1 ZINC000102655904 250118239 /nfs/dbraw/zinc/11/82/39/250118239.db2.gz MDMBXNJPDWAQFP-KRWDZBQOSA-N 2 2 359.495 2.598 10 0 FFAELP Cc1cccc(NC[C@@H]2CC[N@@H+](CCS(=O)(=O)c3ccccc3)C2)[nH+]1 ZINC000102655904 250118242 /nfs/dbraw/zinc/11/82/42/250118242.db2.gz MDMBXNJPDWAQFP-KRWDZBQOSA-N 2 2 359.495 2.598 10 0 FFAELP Cn1cc[nH+]c1CC1CC[NH+](Cc2nc3ccc(Cl)cc3c(=O)[nH]2)CC1 ZINC000106165082 250246870 /nfs/dbraw/zinc/24/68/70/250246870.db2.gz BMECSPZFCOYFPH-UHFFFAOYSA-N 2 2 371.872 2.765 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N2CCc3ccccc3C2)C1 ZINC000106216520 250254555 /nfs/dbraw/zinc/25/45/55/250254555.db2.gz YOAMFKVNOHJWKC-LJQANCHMSA-N 2 2 352.482 2.667 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N2CCc3ccccc3C2)C1 ZINC000106216520 250254559 /nfs/dbraw/zinc/25/45/59/250254559.db2.gz YOAMFKVNOHJWKC-LJQANCHMSA-N 2 2 352.482 2.667 10 0 FFAELP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC[NH2+]C[C@](C)(F)C3)n2)C1 ZINC000333131858 258251613 /nfs/dbraw/zinc/25/16/13/258251613.db2.gz JRALGRZKRHKCIG-DYVFJYSZSA-N 2 2 369.510 2.540 10 0 FFAELP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC[NH2+]C[C@](C)(F)C3)n2)C1 ZINC000333131858 258251614 /nfs/dbraw/zinc/25/16/14/258251614.db2.gz JRALGRZKRHKCIG-DYVFJYSZSA-N 2 2 369.510 2.540 10 0 FFAELP Cc1nc(N2CC[NH+](C[C@@H](C)O)CC2)c(Cc2ccccc2Cl)c(C)[nH+]1 ZINC000036340214 506402724 /nfs/dbraw/zinc/40/27/24/506402724.db2.gz NCXSPDHROLDOPU-CQSZACIVSA-N 2 2 374.916 2.840 10 0 FFAELP C[C@@H](NC(=O)NC[C@H](C)C[NH+]1CCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000073774285 507954103 /nfs/dbraw/zinc/95/41/03/507954103.db2.gz LXHZMXRVCMMGCU-DLBZAZTESA-N 2 2 355.486 2.964 10 0 FFAELP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCO[C@@H](Cn2cccn2)C1 ZINC000122264979 508508317 /nfs/dbraw/zinc/50/83/17/508508317.db2.gz LPDJKZWAGGZFON-HXUWFJFHSA-N 2 2 356.514 2.742 10 0 FFAELP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCO[C@@H](Cn2cccn2)C1 ZINC000122264979 508508318 /nfs/dbraw/zinc/50/83/18/508508318.db2.gz LPDJKZWAGGZFON-HXUWFJFHSA-N 2 2 356.514 2.742 10 0 FFAELP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000122264979 508508321 /nfs/dbraw/zinc/50/83/21/508508321.db2.gz LPDJKZWAGGZFON-HXUWFJFHSA-N 2 2 356.514 2.742 10 0 FFAELP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000122264979 508508324 /nfs/dbraw/zinc/50/83/24/508508324.db2.gz LPDJKZWAGGZFON-HXUWFJFHSA-N 2 2 356.514 2.742 10 0 FFAELP C[C@H]1CCCN(c2cc(NCc3ccnc(OCC[NH+](C)C)c3)[nH+]cn2)C1 ZINC000135377765 508595828 /nfs/dbraw/zinc/59/58/28/508595828.db2.gz CDBPNMTXHYAFQE-INIZCTEOSA-N 2 2 370.501 2.660 10 0 FFAELP C[C@H]1CCCN(c2cc(NCc3ccnc(OCC[NH+](C)C)c3)nc[nH+]2)C1 ZINC000135377765 508595831 /nfs/dbraw/zinc/59/58/31/508595831.db2.gz CDBPNMTXHYAFQE-INIZCTEOSA-N 2 2 370.501 2.660 10 0 FFAELP Cc1cc(C)cc(OC[C@H](O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000151099503 508955655 /nfs/dbraw/zinc/95/56/55/508955655.db2.gz IBWGAYZTUWDEBS-RTBURBONSA-N 2 2 355.482 2.872 10 0 FFAELP Cc1cc(C)cc(OC[C@H](O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000151099503 508955657 /nfs/dbraw/zinc/95/56/57/508955657.db2.gz IBWGAYZTUWDEBS-RTBURBONSA-N 2 2 355.482 2.872 10 0 FFAELP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C1CCN(c2ncccn2)CC1 ZINC000155915121 509092157 /nfs/dbraw/zinc/09/21/57/509092157.db2.gz VBIXBEZJZCWTAS-PXNSSMCTSA-N 2 2 351.498 2.556 10 0 FFAELP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C1CCN(c2ncccn2)CC1 ZINC000155915121 509092160 /nfs/dbraw/zinc/09/21/60/509092160.db2.gz VBIXBEZJZCWTAS-PXNSSMCTSA-N 2 2 351.498 2.556 10 0 FFAELP C[N@H+](Cc1c[nH]nc1-c1ccccc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000121201948 509149809 /nfs/dbraw/zinc/14/98/09/509149809.db2.gz UBEZDAUCVKHWRE-UHFFFAOYSA-N 2 2 364.497 2.870 10 0 FFAELP C[N@@H+](Cc1c[nH]nc1-c1ccccc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000121201948 509149810 /nfs/dbraw/zinc/14/98/10/509149810.db2.gz UBEZDAUCVKHWRE-UHFFFAOYSA-N 2 2 364.497 2.870 10 0 FFAELP C[N@H+](CC1=Cc2ccccc2OC1)C1CC[NH+](CCn2cccn2)CC1 ZINC000121215998 509151349 /nfs/dbraw/zinc/15/13/49/509151349.db2.gz ZFKGRLUSKAPUBW-UHFFFAOYSA-N 2 2 352.482 2.755 10 0 FFAELP C[N@@H+](CC1=Cc2ccccc2OC1)C1CC[NH+](CCn2cccn2)CC1 ZINC000121215998 509151352 /nfs/dbraw/zinc/15/13/52/509151352.db2.gz ZFKGRLUSKAPUBW-UHFFFAOYSA-N 2 2 352.482 2.755 10 0 FFAELP O=C(NCc1[nH+]ccn1CCc1ccccc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000175923821 509219346 /nfs/dbraw/zinc/21/93/46/509219346.db2.gz CBVNDCBMMQZVHW-IBGZPJMESA-N 2 2 367.497 2.506 10 0 FFAELP O=C(NCc1[nH+]ccn1CCc1ccccc1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000175923821 509219352 /nfs/dbraw/zinc/21/93/52/509219352.db2.gz CBVNDCBMMQZVHW-IBGZPJMESA-N 2 2 367.497 2.506 10 0 FFAELP Cc1nc(CN2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3C)CC2)no1 ZINC000192005329 509291193 /nfs/dbraw/zinc/29/11/93/509291193.db2.gz XTYNCUJUDIEWCL-UHFFFAOYSA-N 2 2 366.469 2.580 10 0 FFAELP Cc1nc(CN2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3C)CC2)no1 ZINC000192005329 509291200 /nfs/dbraw/zinc/29/12/00/509291200.db2.gz XTYNCUJUDIEWCL-UHFFFAOYSA-N 2 2 366.469 2.580 10 0 FFAELP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000176178547 509363002 /nfs/dbraw/zinc/36/30/02/509363002.db2.gz XUSQUTWTNBGNFY-MSOLQXFVSA-N 2 2 373.476 2.774 10 0 FFAELP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000176178547 509363010 /nfs/dbraw/zinc/36/30/10/509363010.db2.gz XUSQUTWTNBGNFY-MSOLQXFVSA-N 2 2 373.476 2.774 10 0 FFAELP O=C(CC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)N1CCc2ccccc2C1 ZINC000189040597 509383279 /nfs/dbraw/zinc/38/32/79/509383279.db2.gz LVKAOZZCHIKQQF-GOSISDBHSA-N 2 2 364.493 2.790 10 0 FFAELP O=C(CC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)N1CCc2ccccc2C1 ZINC000189040597 509383283 /nfs/dbraw/zinc/38/32/83/509383283.db2.gz LVKAOZZCHIKQQF-GOSISDBHSA-N 2 2 364.493 2.790 10 0 FFAELP c1ccc(N2CC[NH+](C[C@@H]3CCC[N@H+](C[C@H]4CCC=CO4)C3)CC2)nc1 ZINC000248991563 509565943 /nfs/dbraw/zinc/56/59/43/509565943.db2.gz NNNXUFNRNGYZKQ-VQTJNVASSA-N 2 2 356.514 2.608 10 0 FFAELP c1ccc(N2CC[NH+](C[C@@H]3CCC[N@@H+](C[C@H]4CCC=CO4)C3)CC2)nc1 ZINC000248991563 509565949 /nfs/dbraw/zinc/56/59/49/509565949.db2.gz NNNXUFNRNGYZKQ-VQTJNVASSA-N 2 2 356.514 2.608 10 0 FFAELP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccncc3)CC2)C12CCOCC2 ZINC000186258356 509606067 /nfs/dbraw/zinc/60/60/67/509606067.db2.gz NPSMCDMHHGAVRU-WOJBJXKFSA-N 2 2 359.514 2.610 10 0 FFAELP CCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C12CCOCC2 ZINC000186308099 509636651 /nfs/dbraw/zinc/63/66/51/509636651.db2.gz KSMZZBFBXGFFMO-CVEARBPZSA-N 2 2 364.452 2.967 10 0 FFAELP CC(C)[N@@H+]1C[C@@H](C)[C@H]([NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)C1 ZINC000249210685 509636773 /nfs/dbraw/zinc/63/67/73/509636773.db2.gz YAHMIMZXGMPZKK-FLAIETJXSA-N 2 2 369.509 2.912 10 0 FFAELP CC(C)[N@H+]1C[C@@H](C)[C@H]([NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)C1 ZINC000249210685 509636784 /nfs/dbraw/zinc/63/67/84/509636784.db2.gz YAHMIMZXGMPZKK-FLAIETJXSA-N 2 2 369.509 2.912 10 0 FFAELP C[C@@H]1CC[N@H+](CCC(=O)N2CCc3ccccc3C2)C[C@H]1n1cc[nH+]c1 ZINC000249312662 509654412 /nfs/dbraw/zinc/65/44/12/509654412.db2.gz DZUQNGUWJZZCGC-YLJYHZDGSA-N 2 2 352.482 2.741 10 0 FFAELP C[C@@H]1CC[N@@H+](CCC(=O)N2CCc3ccccc3C2)C[C@H]1n1cc[nH+]c1 ZINC000249312662 509654418 /nfs/dbraw/zinc/65/44/18/509654418.db2.gz DZUQNGUWJZZCGC-YLJYHZDGSA-N 2 2 352.482 2.741 10 0 FFAELP C[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000189755578 509736061 /nfs/dbraw/zinc/73/60/61/509736061.db2.gz OJWPRLXQCHXKTH-FRYIKTPZSA-N 2 2 365.562 2.597 10 0 FFAELP C[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000189755578 509736068 /nfs/dbraw/zinc/73/60/68/509736068.db2.gz OJWPRLXQCHXKTH-FRYIKTPZSA-N 2 2 365.562 2.597 10 0 FFAELP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2nc(-c3cccnc3)no2)[C@H](C)C1 ZINC000189997832 509874236 /nfs/dbraw/zinc/87/42/36/509874236.db2.gz UAWBBDKZYUISKQ-RYRKJORJSA-N 2 2 373.501 2.919 10 0 FFAELP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2nc(-c3cccnc3)no2)[C@H](C)C1 ZINC000189997832 509874243 /nfs/dbraw/zinc/87/42/43/509874243.db2.gz UAWBBDKZYUISKQ-RYRKJORJSA-N 2 2 373.501 2.919 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000177175384 509919636 /nfs/dbraw/zinc/91/96/36/509919636.db2.gz YMMXYWCYJAJVSI-LJQANCHMSA-N 2 2 367.497 2.803 10 0 FFAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2ccccc2N(C)C)nc[nH+]1 ZINC000180565868 509986922 /nfs/dbraw/zinc/98/69/22/509986922.db2.gz ICANXVYEIVRNSC-HOTGVXAUSA-N 2 2 354.502 2.904 10 0 FFAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)Cc2ccccc2OC)nc[nH+]1 ZINC000180573760 509991798 /nfs/dbraw/zinc/99/17/98/509991798.db2.gz QIAISPBBQNSFJK-NVXWUHKLSA-N 2 2 355.486 2.717 10 0 FFAELP C[C@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C(=O)NC(=O)NC(C)(C)C ZINC000180654597 510038881 /nfs/dbraw/zinc/03/88/81/510038881.db2.gz QNWXKEFECDSAKS-KBPBESRZSA-N 2 2 357.458 2.536 10 0 FFAELP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)c1ccco1 ZINC000177456919 510070406 /nfs/dbraw/zinc/07/04/06/510070406.db2.gz QEXHAMHPMGAWFY-SJORKVTESA-N 2 2 359.474 2.733 10 0 FFAELP C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171645131 510274765 /nfs/dbraw/zinc/27/47/65/510274765.db2.gz SIFORXVTZCDSGN-UONOGXRCSA-N 2 2 359.861 2.891 10 0 FFAELP C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171645131 510274774 /nfs/dbraw/zinc/27/47/74/510274774.db2.gz SIFORXVTZCDSGN-UONOGXRCSA-N 2 2 359.861 2.891 10 0 FFAELP CC(=O)c1cccc(NC(=O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000171648284 510278787 /nfs/dbraw/zinc/27/87/87/510278787.db2.gz AZYMOEQVWQSZLC-INIZCTEOSA-N 2 2 352.438 2.657 10 0 FFAELP CC(=O)c1cccc(NC(=O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000171648284 510278794 /nfs/dbraw/zinc/27/87/94/510278794.db2.gz AZYMOEQVWQSZLC-INIZCTEOSA-N 2 2 352.438 2.657 10 0 FFAELP CCn1c2cccc(F)c2nc1C[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174890916 510370463 /nfs/dbraw/zinc/37/04/63/510370463.db2.gz MPYSXXZZYFVMDT-KRWDZBQOSA-N 2 2 373.520 2.797 10 0 FFAELP CCn1c2cccc(F)c2nc1C[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174890916 510370470 /nfs/dbraw/zinc/37/04/70/510370470.db2.gz MPYSXXZZYFVMDT-KRWDZBQOSA-N 2 2 373.520 2.797 10 0 FFAELP Cc1ccc(N2CCC(NC(=O)N3CCC(n4cc[nH+]c4)CC3)CC2)[nH+]c1 ZINC000175276467 510566736 /nfs/dbraw/zinc/56/67/36/510566736.db2.gz QKELEFQNSAORCH-UHFFFAOYSA-N 2 2 368.485 2.602 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000246648350 510600299 /nfs/dbraw/zinc/60/02/99/510600299.db2.gz COUGSWXRYACNCL-IAGOWNOFSA-N 2 2 354.454 2.577 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000246648350 510600304 /nfs/dbraw/zinc/60/03/04/510600304.db2.gz COUGSWXRYACNCL-IAGOWNOFSA-N 2 2 354.454 2.577 10 0 FFAELP CCC(C)(C)NC(=O)C[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195264654 510746352 /nfs/dbraw/zinc/74/63/52/510746352.db2.gz UEQFUNXMMFBQPQ-OAHLLOKOSA-N 2 2 352.548 2.510 10 0 FFAELP CCC(C)(C)NC(=O)C[N@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195264654 510746360 /nfs/dbraw/zinc/74/63/60/510746360.db2.gz UEQFUNXMMFBQPQ-OAHLLOKOSA-N 2 2 352.548 2.510 10 0 FFAELP CCC(C)(C)NC(=O)C[NH+]1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195264654 510746363 /nfs/dbraw/zinc/74/63/63/510746363.db2.gz UEQFUNXMMFBQPQ-OAHLLOKOSA-N 2 2 352.548 2.510 10 0 FFAELP CCC(C)(C)NC(=O)C[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195264654 510746373 /nfs/dbraw/zinc/74/63/73/510746373.db2.gz UEQFUNXMMFBQPQ-OAHLLOKOSA-N 2 2 352.548 2.510 10 0 FFAELP CC(C)C[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195270578 510748423 /nfs/dbraw/zinc/74/84/23/510748423.db2.gz OQPDHGCOQCHYGV-AZUAARDMSA-N 2 2 360.546 2.728 10 0 FFAELP CC(C)C[C@H](C)N(C)C(=O)C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195270578 510748428 /nfs/dbraw/zinc/74/84/28/510748428.db2.gz OQPDHGCOQCHYGV-AZUAARDMSA-N 2 2 360.546 2.728 10 0 FFAELP CC(C)C[C@H](C)N(C)C(=O)C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195270578 510748436 /nfs/dbraw/zinc/74/84/36/510748436.db2.gz OQPDHGCOQCHYGV-AZUAARDMSA-N 2 2 360.546 2.728 10 0 FFAELP CC(C)C[C@H](C)N(C)C(=O)C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195270578 510748446 /nfs/dbraw/zinc/74/84/46/510748446.db2.gz OQPDHGCOQCHYGV-AZUAARDMSA-N 2 2 360.546 2.728 10 0 FFAELP COc1ccc(OCC[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)cc1 ZINC000195277427 510754577 /nfs/dbraw/zinc/75/45/77/510754577.db2.gz AKWGUWKDULWYGL-IBGZPJMESA-N 2 2 355.482 2.923 10 0 FFAELP COc1ccc(OCC[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)cc1 ZINC000195277427 510754583 /nfs/dbraw/zinc/75/45/83/510754583.db2.gz AKWGUWKDULWYGL-IBGZPJMESA-N 2 2 355.482 2.923 10 0 FFAELP COc1ccc(OCC[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)cc1 ZINC000195277427 510754590 /nfs/dbraw/zinc/75/45/90/510754590.db2.gz AKWGUWKDULWYGL-IBGZPJMESA-N 2 2 355.482 2.923 10 0 FFAELP COc1ccc(OCC[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)cc1 ZINC000195277427 510754595 /nfs/dbraw/zinc/75/45/95/510754595.db2.gz AKWGUWKDULWYGL-IBGZPJMESA-N 2 2 355.482 2.923 10 0 FFAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@H](O)CCc2ccccc2)C1 ZINC000195282315 510757009 /nfs/dbraw/zinc/75/70/09/510757009.db2.gz QOMKAMLAPODAGN-FCHUYYIVSA-N 2 2 353.510 2.829 10 0 FFAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@H](O)CCc2ccccc2)C1 ZINC000195282315 510757015 /nfs/dbraw/zinc/75/70/15/510757015.db2.gz QOMKAMLAPODAGN-FCHUYYIVSA-N 2 2 353.510 2.829 10 0 FFAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](C[C@H](O)CCc2ccccc2)C1 ZINC000195282315 510757022 /nfs/dbraw/zinc/75/70/22/510757022.db2.gz QOMKAMLAPODAGN-FCHUYYIVSA-N 2 2 353.510 2.829 10 0 FFAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](C[C@H](O)CCc2ccccc2)C1 ZINC000195282315 510757026 /nfs/dbraw/zinc/75/70/26/510757026.db2.gz QOMKAMLAPODAGN-FCHUYYIVSA-N 2 2 353.510 2.829 10 0 FFAELP CN(CC1CCCCC1)C(=O)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195288898 510763552 /nfs/dbraw/zinc/76/35/52/510763552.db2.gz SSLCIJJGJBJTFG-NRFANRHFSA-N 2 2 372.557 2.874 10 0 FFAELP CN(CC1CCCCC1)C(=O)C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195288898 510763554 /nfs/dbraw/zinc/76/35/54/510763554.db2.gz SSLCIJJGJBJTFG-NRFANRHFSA-N 2 2 372.557 2.874 10 0 FFAELP CN(CC1CCCCC1)C(=O)C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195288898 510763556 /nfs/dbraw/zinc/76/35/56/510763556.db2.gz SSLCIJJGJBJTFG-NRFANRHFSA-N 2 2 372.557 2.874 10 0 FFAELP CN(CC1CCCCC1)C(=O)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195288898 510763561 /nfs/dbraw/zinc/76/35/61/510763561.db2.gz SSLCIJJGJBJTFG-NRFANRHFSA-N 2 2 372.557 2.874 10 0 FFAELP C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195295984 510768232 /nfs/dbraw/zinc/76/82/32/510768232.db2.gz JMXFQJPWYMIYTC-HMXCVIKNSA-N 2 2 372.557 2.872 10 0 FFAELP C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195295984 510768234 /nfs/dbraw/zinc/76/82/34/510768234.db2.gz JMXFQJPWYMIYTC-HMXCVIKNSA-N 2 2 372.557 2.872 10 0 FFAELP C[C@@H]1CCCC[C@H]1N(C)C(=O)C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195295984 510768237 /nfs/dbraw/zinc/76/82/37/510768237.db2.gz JMXFQJPWYMIYTC-HMXCVIKNSA-N 2 2 372.557 2.872 10 0 FFAELP C[C@@H]1CCCC[C@H]1N(C)C(=O)C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195295984 510768241 /nfs/dbraw/zinc/76/82/41/510768241.db2.gz JMXFQJPWYMIYTC-HMXCVIKNSA-N 2 2 372.557 2.872 10 0 FFAELP COc1cccc(C[NH2+]C[C@@H]2CCC[N@H+](C3CC3)[C@H]2c2ccnn2C)n1 ZINC000284419262 511716899 /nfs/dbraw/zinc/71/68/99/511716899.db2.gz CRWKBXWKZWVKQW-MGPUTAFESA-N 2 2 355.486 2.529 10 0 FFAELP COc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+](C3CC3)[C@H]2c2ccnn2C)n1 ZINC000284419262 511716906 /nfs/dbraw/zinc/71/69/06/511716906.db2.gz CRWKBXWKZWVKQW-MGPUTAFESA-N 2 2 355.486 2.529 10 0 FFAELP COC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCCN(C)[C@H]1c1c[nH+]cn1C ZINC000583619197 519344496 /nfs/dbraw/zinc/34/44/96/519344496.db2.gz RPVQPVPELPYVGG-IRFCIJBXSA-N 2 2 356.514 2.650 10 0 FFAELP COC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cncn1C ZINC000583619197 519344502 /nfs/dbraw/zinc/34/45/02/519344502.db2.gz RPVQPVPELPYVGG-IRFCIJBXSA-N 2 2 356.514 2.650 10 0 FFAELP COC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cncn1C ZINC000583619197 519344509 /nfs/dbraw/zinc/34/45/09/519344509.db2.gz RPVQPVPELPYVGG-IRFCIJBXSA-N 2 2 356.514 2.650 10 0 FFAELP C[N@H+](Cc1ccccc1NC(=O)NC[C@H]1C[NH+](C)CCO1)C1CCCCC1 ZINC000105280147 250208011 /nfs/dbraw/zinc/20/80/11/250208011.db2.gz RCWAYURHFBSAAT-IBGZPJMESA-N 2 2 374.529 2.903 10 0 FFAELP C[N@@H+](Cc1ccccc1NC(=O)NC[C@H]1C[NH+](C)CCO1)C1CCCCC1 ZINC000105280147 250208016 /nfs/dbraw/zinc/20/80/16/250208016.db2.gz RCWAYURHFBSAAT-IBGZPJMESA-N 2 2 374.529 2.903 10 0 FFAELP C[NH+](Cc1ccccc1NC(=O)NC[C@H]1C[N@H+](C)CCO1)C1CCCCC1 ZINC000105280147 250208019 /nfs/dbraw/zinc/20/80/19/250208019.db2.gz RCWAYURHFBSAAT-IBGZPJMESA-N 2 2 374.529 2.903 10 0 FFAELP C[NH+](Cc1ccccc1NC(=O)NC[C@H]1C[N@@H+](C)CCO1)C1CCCCC1 ZINC000105280147 250208023 /nfs/dbraw/zinc/20/80/23/250208023.db2.gz RCWAYURHFBSAAT-IBGZPJMESA-N 2 2 374.529 2.903 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N2CCc3sccc3C2)C1 ZINC000106214245 250254472 /nfs/dbraw/zinc/25/44/72/250254472.db2.gz LWFIYPKJSDISCM-MRXNPFEDSA-N 2 2 358.511 2.729 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N2CCc3sccc3C2)C1 ZINC000106214245 250254477 /nfs/dbraw/zinc/25/44/77/250254477.db2.gz LWFIYPKJSDISCM-MRXNPFEDSA-N 2 2 358.511 2.729 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCCN2C(=O)c3ccccc3C2=O)C1 ZINC000106216095 250255347 /nfs/dbraw/zinc/25/53/47/250255347.db2.gz GPQQOTSFWVQTIE-INIZCTEOSA-N 2 2 366.465 2.769 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCCN2C(=O)c3ccccc3C2=O)C1 ZINC000106216095 250255352 /nfs/dbraw/zinc/25/53/52/250255352.db2.gz GPQQOTSFWVQTIE-INIZCTEOSA-N 2 2 366.465 2.769 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NCc2[nH+]ccn2CC(C)C)C1 ZINC000175477357 251215130 /nfs/dbraw/zinc/21/51/30/251215130.db2.gz GAFNDJYOMXQTFX-INIZCTEOSA-N 2 2 358.490 2.845 10 0 FFAELP CCc1noc([C@H](C)[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC000330214983 258158956 /nfs/dbraw/zinc/15/89/56/258158956.db2.gz GPLVNRXOWLXOJZ-XHSDSOJGSA-N 2 2 350.507 2.904 10 0 FFAELP CCc1noc([C@H](C)[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC000330214983 258158957 /nfs/dbraw/zinc/15/89/57/258158957.db2.gz GPLVNRXOWLXOJZ-XHSDSOJGSA-N 2 2 350.507 2.904 10 0 FFAELP CCc1[nH+]c(C)nc(N2CC[NH+](C[C@H](C)O)CC2)c1Cc1cccc(C)c1 ZINC000036340686 506401247 /nfs/dbraw/zinc/40/12/47/506401247.db2.gz FFQKMEBUYLUESD-KRWDZBQOSA-N 2 2 368.525 2.749 10 0 FFAELP O=C(NC1CCN(c2cccc[nH+]2)CC1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107834680 507869533 /nfs/dbraw/zinc/86/95/33/507869533.db2.gz ANFWGYYNZIHIGL-IBGZPJMESA-N 2 2 371.529 2.710 10 0 FFAELP OC[C@H]1CCCN(c2cc(N3CCC[C@H]([NH+]4CCCCCC4)C3)nc[nH+]2)C1 ZINC000091482452 507989106 /nfs/dbraw/zinc/98/91/06/507989106.db2.gz PFOVVBVPNIXOLC-OALUTQOASA-N 2 2 373.545 2.530 10 0 FFAELP C[C@@H]1C[N@@H+](C2CC[NH+](Cc3c[nH]nc3-c3ccc(F)cc3)CC2)CCO1 ZINC000092079485 508041599 /nfs/dbraw/zinc/04/15/99/508041599.db2.gz WENBAKOSMWINBT-OAHLLOKOSA-N 2 2 358.461 2.901 10 0 FFAELP C[C@@H]1C[N@H+](C2CC[NH+](Cc3c[nH]nc3-c3ccc(F)cc3)CC2)CCO1 ZINC000092079485 508041602 /nfs/dbraw/zinc/04/16/02/508041602.db2.gz WENBAKOSMWINBT-OAHLLOKOSA-N 2 2 358.461 2.901 10 0 FFAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](C)[C@@H](C)C(=O)OC(C)(C)C)c2cc1C ZINC000081578215 508192760 /nfs/dbraw/zinc/19/27/60/508192760.db2.gz CMDPJFLIZMCOCM-JKSUJKDBSA-N 2 2 361.486 2.676 10 0 FFAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](C)[C@@H](C)C(=O)OC(C)(C)C)c2cc1C ZINC000081578215 508192763 /nfs/dbraw/zinc/19/27/63/508192763.db2.gz CMDPJFLIZMCOCM-JKSUJKDBSA-N 2 2 361.486 2.676 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NCCc2cccs2)C1 ZINC000114720537 508341731 /nfs/dbraw/zinc/34/17/31/508341731.db2.gz KZGWADADVCFTQW-HOTGVXAUSA-N 2 2 360.527 2.891 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)NCCc2cccs2)C1 ZINC000114720537 508341732 /nfs/dbraw/zinc/34/17/32/508341732.db2.gz KZGWADADVCFTQW-HOTGVXAUSA-N 2 2 360.527 2.891 10 0 FFAELP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105077363 508359855 /nfs/dbraw/zinc/35/98/55/508359855.db2.gz QXPGYFTWHJUFJU-QZTJIDSGSA-N 2 2 360.502 2.686 10 0 FFAELP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000105077363 508359857 /nfs/dbraw/zinc/35/98/57/508359857.db2.gz QXPGYFTWHJUFJU-QZTJIDSGSA-N 2 2 360.502 2.686 10 0 FFAELP C[NH+](C)[C@H](Cc1ccccc1)C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000116643386 508541868 /nfs/dbraw/zinc/54/18/68/508541868.db2.gz CDXAGWDFCIZLHG-OAQYLSRUSA-N 2 2 367.493 2.630 10 0 FFAELP CC(C)[N@H+]1C[C@H](NC(=O)NCc2[nH+]ccn2CCc2ccccc2)[C@@H](C)C1 ZINC000122975196 508616503 /nfs/dbraw/zinc/61/65/03/508616503.db2.gz KUSYGMMDPGAPOY-HKUYNNGSSA-N 2 2 369.513 2.654 10 0 FFAELP CC(C)[N@@H+]1C[C@H](NC(=O)NCc2[nH+]ccn2CCc2ccccc2)[C@@H](C)C1 ZINC000122975196 508616507 /nfs/dbraw/zinc/61/65/07/508616507.db2.gz KUSYGMMDPGAPOY-HKUYNNGSSA-N 2 2 369.513 2.654 10 0 FFAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000158633752 508731994 /nfs/dbraw/zinc/73/19/94/508731994.db2.gz MPCSOLKNCROQTH-PBHICJAKSA-N 2 2 359.449 2.539 10 0 FFAELP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000158633752 508731996 /nfs/dbraw/zinc/73/19/96/508731996.db2.gz MPCSOLKNCROQTH-PBHICJAKSA-N 2 2 359.449 2.539 10 0 FFAELP COc1ccc(OC)c(NC(=O)[C@H](C)[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000154540163 508805888 /nfs/dbraw/zinc/80/58/88/508805888.db2.gz QMIUHNUHFOJRKE-HOCLYGCPSA-N 2 2 372.469 2.700 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000154555486 508808941 /nfs/dbraw/zinc/80/89/41/508808941.db2.gz IUCQEKPOCDZQTA-MOPGFXCFSA-N 2 2 356.445 2.815 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000154555486 508808946 /nfs/dbraw/zinc/80/89/46/508808946.db2.gz IUCQEKPOCDZQTA-MOPGFXCFSA-N 2 2 356.445 2.815 10 0 FFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000154555352 508809153 /nfs/dbraw/zinc/80/91/53/508809153.db2.gz IUCQEKPOCDZQTA-OALUTQOASA-N 2 2 356.445 2.815 10 0 FFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000154555352 508809156 /nfs/dbraw/zinc/80/91/56/508809156.db2.gz IUCQEKPOCDZQTA-OALUTQOASA-N 2 2 356.445 2.815 10 0 FFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000131108999 508887682 /nfs/dbraw/zinc/88/76/82/508887682.db2.gz IDDLXKQWCBXDQV-WMLDXEAASA-N 2 2 360.408 2.740 10 0 FFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000131108999 508887687 /nfs/dbraw/zinc/88/76/87/508887687.db2.gz IDDLXKQWCBXDQV-WMLDXEAASA-N 2 2 360.408 2.740 10 0 FFAELP COc1cc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)ccc1OC(F)F ZINC000151270995 508990212 /nfs/dbraw/zinc/99/02/12/508990212.db2.gz YWCKXQMBOJYGSU-UKRRQHHQSA-N 2 2 358.429 2.794 10 0 FFAELP Cc1nc(C[N@H+]2CCCN(C(=O)c3cccc(C[NH+](C)C)c3)CC2)cs1 ZINC000156268638 509152536 /nfs/dbraw/zinc/15/25/36/509152536.db2.gz AGIGUZMRRNIXHT-UHFFFAOYSA-N 2 2 372.538 2.861 10 0 FFAELP Cc1nc(C[N@@H+]2CCCN(C(=O)c3cccc(C[NH+](C)C)c3)CC2)cs1 ZINC000156268638 509152540 /nfs/dbraw/zinc/15/25/40/509152540.db2.gz AGIGUZMRRNIXHT-UHFFFAOYSA-N 2 2 372.538 2.861 10 0 FFAELP C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248647132 509416432 /nfs/dbraw/zinc/41/64/32/509416432.db2.gz IBBCRCNZVDMHED-GGPKGHCWSA-N 2 2 358.530 2.625 10 0 FFAELP C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248647132 509416439 /nfs/dbraw/zinc/41/64/39/509416439.db2.gz IBBCRCNZVDMHED-GGPKGHCWSA-N 2 2 358.530 2.625 10 0 FFAELP C[C@@H]1CCC[C@@H](C)N1C(=O)C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248647132 509416447 /nfs/dbraw/zinc/41/64/47/509416447.db2.gz IBBCRCNZVDMHED-GGPKGHCWSA-N 2 2 358.530 2.625 10 0 FFAELP C[C@@H]1CCC[C@@H](C)N1C(=O)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248647132 509416454 /nfs/dbraw/zinc/41/64/54/509416454.db2.gz IBBCRCNZVDMHED-GGPKGHCWSA-N 2 2 358.530 2.625 10 0 FFAELP CN(C)C(=O)[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248655533 509421252 /nfs/dbraw/zinc/42/12/52/509421252.db2.gz QKHIAJLJAPJNRT-PZJWPPBQSA-N 2 2 366.509 2.665 10 0 FFAELP CN(C)C(=O)[C@@H](c1ccccc1)[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248655533 509421256 /nfs/dbraw/zinc/42/12/56/509421256.db2.gz QKHIAJLJAPJNRT-PZJWPPBQSA-N 2 2 366.509 2.665 10 0 FFAELP CN(C)C(=O)[C@@H](c1ccccc1)[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248655533 509421266 /nfs/dbraw/zinc/42/12/66/509421266.db2.gz QKHIAJLJAPJNRT-PZJWPPBQSA-N 2 2 366.509 2.665 10 0 FFAELP C[C@@H]1CCC[C@H](NC(=O)C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)[C@H]1C ZINC000248659529 509423479 /nfs/dbraw/zinc/42/34/79/509423479.db2.gz VIMLALAYHZILLO-JYRKZWEQSA-N 2 2 372.557 2.776 10 0 FFAELP C[C@@H]1CCC[C@H](NC(=O)C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)[C@H]1C ZINC000248659529 509423490 /nfs/dbraw/zinc/42/34/90/509423490.db2.gz VIMLALAYHZILLO-JYRKZWEQSA-N 2 2 372.557 2.776 10 0 FFAELP C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)[C@H]1C ZINC000248659529 509423497 /nfs/dbraw/zinc/42/34/97/509423497.db2.gz VIMLALAYHZILLO-JYRKZWEQSA-N 2 2 372.557 2.776 10 0 FFAELP C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)[C@H]1C ZINC000248659529 509423504 /nfs/dbraw/zinc/42/35/04/509423504.db2.gz VIMLALAYHZILLO-JYRKZWEQSA-N 2 2 372.557 2.776 10 0 FFAELP CC[N@H+](CC(=O)OC(C)(C)C)C1CCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000192241927 509423610 /nfs/dbraw/zinc/42/36/10/509423610.db2.gz IRHGWWDVADPWPT-UHFFFAOYSA-N 2 2 360.502 2.986 10 0 FFAELP CC[N@@H+](CC(=O)OC(C)(C)C)C1CCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000192241927 509423615 /nfs/dbraw/zinc/42/36/15/509423615.db2.gz IRHGWWDVADPWPT-UHFFFAOYSA-N 2 2 360.502 2.986 10 0 FFAELP C[NH+]1CCN([C@H]2CCCC[N@H+](Cc3ccn(-c4ccccc4F)n3)C2)CC1 ZINC000189207532 509464234 /nfs/dbraw/zinc/46/42/34/509464234.db2.gz BNUKQFXUKVLOLG-IBGZPJMESA-N 2 2 371.504 2.613 10 0 FFAELP C[NH+]1CCN([C@H]2CCCC[N@@H+](Cc3ccn(-c4ccccc4F)n3)C2)CC1 ZINC000189207532 509464242 /nfs/dbraw/zinc/46/42/42/509464242.db2.gz BNUKQFXUKVLOLG-IBGZPJMESA-N 2 2 371.504 2.613 10 0 FFAELP c1ccc(C[NH+]2CCC(Nc3ccc(N4CCOCC4)[nH+]c3)CC2)cc1 ZINC000236707034 509487011 /nfs/dbraw/zinc/48/70/11/509487011.db2.gz REHYAKZAQMSNPB-UHFFFAOYSA-N 2 2 352.482 2.995 10 0 FFAELP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2nc(-c3cccnc3)no2)[C@@H](C)C1 ZINC000249483890 509691101 /nfs/dbraw/zinc/69/11/01/509691101.db2.gz UAWBBDKZYUISKQ-JZXOWHBKSA-N 2 2 373.501 2.919 10 0 FFAELP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2nc(-c3cccnc3)no2)[C@@H](C)C1 ZINC000249483890 509691106 /nfs/dbraw/zinc/69/11/06/509691106.db2.gz UAWBBDKZYUISKQ-JZXOWHBKSA-N 2 2 373.501 2.919 10 0 FFAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC000180041235 509723248 /nfs/dbraw/zinc/72/32/48/509723248.db2.gz YLZRRYSBRKAZEK-XLIONFOSSA-N 2 2 367.497 2.636 10 0 FFAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC000180041235 509723252 /nfs/dbraw/zinc/72/32/52/509723252.db2.gz YLZRRYSBRKAZEK-XLIONFOSSA-N 2 2 367.497 2.636 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000177221904 509946148 /nfs/dbraw/zinc/94/61/48/509946148.db2.gz UWBNUWOGELBLDI-OXQOHEQNSA-N 2 2 352.482 2.629 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000177221904 509946155 /nfs/dbraw/zinc/94/61/55/509946155.db2.gz UWBNUWOGELBLDI-OXQOHEQNSA-N 2 2 352.482 2.629 10 0 FFAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2ccc(OC)c(F)c2)nc[nH+]1 ZINC000180576704 509993326 /nfs/dbraw/zinc/99/33/26/509993326.db2.gz NXJHUXLEORSLNM-DZGCQCFKSA-N 2 2 359.449 2.986 10 0 FFAELP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177336764 510003129 /nfs/dbraw/zinc/00/31/29/510003129.db2.gz NMLIEEWSPHBIOM-UXHICEINSA-N 2 2 367.497 2.894 10 0 FFAELP C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193656851 510008182 /nfs/dbraw/zinc/00/81/82/510008182.db2.gz ANNRXZFCSCLLBC-OGWHTMIXSA-N 2 2 351.494 2.899 10 0 FFAELP C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193656851 510008187 /nfs/dbraw/zinc/00/81/87/510008187.db2.gz ANNRXZFCSCLLBC-OGWHTMIXSA-N 2 2 351.494 2.899 10 0 FFAELP C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193656851 510008193 /nfs/dbraw/zinc/00/81/93/510008193.db2.gz ANNRXZFCSCLLBC-OGWHTMIXSA-N 2 2 351.494 2.899 10 0 FFAELP C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193656851 510008200 /nfs/dbraw/zinc/00/82/00/510008200.db2.gz ANNRXZFCSCLLBC-OGWHTMIXSA-N 2 2 351.494 2.899 10 0 FFAELP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000174236984 510017769 /nfs/dbraw/zinc/01/77/69/510017769.db2.gz XYSXIKICSDFGTC-IBGZPJMESA-N 2 2 373.545 2.814 10 0 FFAELP CCOC(=O)c1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)o1 ZINC000190475407 510152498 /nfs/dbraw/zinc/15/24/98/510152498.db2.gz SQOGQTCHYFYIQV-KRWDZBQOSA-N 2 2 357.454 2.805 10 0 FFAELP CCOC(=O)c1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)o1 ZINC000190475407 510152504 /nfs/dbraw/zinc/15/25/04/510152504.db2.gz SQOGQTCHYFYIQV-KRWDZBQOSA-N 2 2 357.454 2.805 10 0 FFAELP CCOC(=O)c1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)o1 ZINC000190475407 510152509 /nfs/dbraw/zinc/15/25/09/510152509.db2.gz SQOGQTCHYFYIQV-KRWDZBQOSA-N 2 2 357.454 2.805 10 0 FFAELP C[C@@H](C(=O)Nc1c(F)cccc1F)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000171502871 510195660 /nfs/dbraw/zinc/19/56/60/510195660.db2.gz HSBAWTGNKFFRRU-ZDUSSCGKSA-N 2 2 362.424 2.980 10 0 FFAELP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)NCc3ccc(C)c(F)c3)C2)[nH+]1 ZINC000171650691 510280499 /nfs/dbraw/zinc/28/04/99/510280499.db2.gz CQPSBCZVSXKWME-SFHVURJKSA-N 2 2 370.472 2.888 10 0 FFAELP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)NCc3ccc(C)c(F)c3)C2)[nH+]1 ZINC000171650691 510280508 /nfs/dbraw/zinc/28/05/08/510280508.db2.gz CQPSBCZVSXKWME-SFHVURJKSA-N 2 2 370.472 2.888 10 0 FFAELP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)Nc3cccnc3Cl)C2)[nH+]1 ZINC000171651841 510281463 /nfs/dbraw/zinc/28/14/63/510281463.db2.gz JJGHBKGHBCWPES-AWEZNQCLSA-N 2 2 359.861 2.811 10 0 FFAELP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)Nc3cccnc3Cl)C2)[nH+]1 ZINC000171651841 510281468 /nfs/dbraw/zinc/28/14/68/510281468.db2.gz JJGHBKGHBCWPES-AWEZNQCLSA-N 2 2 359.861 2.811 10 0 FFAELP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@H](C)C(=O)NCc3cccs3)C2)[nH+]1 ZINC000246118200 510302848 /nfs/dbraw/zinc/30/28/48/510302848.db2.gz KPHLNXHMKMVBRH-CVEARBPZSA-N 2 2 358.511 2.890 10 0 FFAELP Cc1cccc(NC[C@@H]2CC[N@H+]([C@H](C)C(=O)NCc3cccs3)C2)[nH+]1 ZINC000246118200 510302855 /nfs/dbraw/zinc/30/28/55/510302855.db2.gz KPHLNXHMKMVBRH-CVEARBPZSA-N 2 2 358.511 2.890 10 0 FFAELP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccnn3C(C)C)C2)[nH+]1 ZINC000246121075 510305005 /nfs/dbraw/zinc/30/50/05/510305005.db2.gz LEVWFJBJEJCJMG-SJORKVTESA-N 2 2 370.501 2.928 10 0 FFAELP Cc1cccc(NC[C@@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccnn3C(C)C)C2)[nH+]1 ZINC000246121075 510305010 /nfs/dbraw/zinc/30/50/10/510305010.db2.gz LEVWFJBJEJCJMG-SJORKVTESA-N 2 2 370.501 2.928 10 0 FFAELP C[C@@H](C(=O)Nc1cccnc1Cl)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246139208 510315064 /nfs/dbraw/zinc/31/50/64/510315064.db2.gz NNTVXXHZJNEECO-KBPBESRZSA-N 2 2 359.861 2.891 10 0 FFAELP C[C@@H](C(=O)Nc1cccnc1Cl)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246139208 510315068 /nfs/dbraw/zinc/31/50/68/510315068.db2.gz NNTVXXHZJNEECO-KBPBESRZSA-N 2 2 359.861 2.891 10 0 FFAELP Cc1cc(C)c(NC(=O)C[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c(C)c1 ZINC000174873766 510358089 /nfs/dbraw/zinc/35/80/89/510358089.db2.gz GDCNNJLNRDHDQJ-HXUWFJFHSA-N 2 2 372.557 2.652 10 0 FFAELP COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000246205627 510361101 /nfs/dbraw/zinc/36/11/01/510361101.db2.gz YHUPERAZCMNOBD-CVEARBPZSA-N 2 2 354.454 2.851 10 0 FFAELP COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000246205627 510361108 /nfs/dbraw/zinc/36/11/08/510361108.db2.gz YHUPERAZCMNOBD-CVEARBPZSA-N 2 2 354.454 2.851 10 0 FFAELP O=c1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)nc2ccc(Cl)cn12 ZINC000246576568 510565039 /nfs/dbraw/zinc/56/50/39/510565039.db2.gz LQLGCTMKIWJHBS-KSSFIOAISA-N 2 2 372.900 2.797 10 0 FFAELP O=c1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc2ccc(Cl)cn12 ZINC000246576568 510565049 /nfs/dbraw/zinc/56/50/49/510565049.db2.gz LQLGCTMKIWJHBS-KSSFIOAISA-N 2 2 372.900 2.797 10 0 FFAELP O=c1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)nc2ccc(Cl)cn12 ZINC000246576568 510565055 /nfs/dbraw/zinc/56/50/55/510565055.db2.gz LQLGCTMKIWJHBS-KSSFIOAISA-N 2 2 372.900 2.797 10 0 FFAELP C[C@@]1([NH3+])CCCC[C@H]1C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000263154628 510588481 /nfs/dbraw/zinc/58/84/81/510588481.db2.gz DHWGLASIDSUWLB-XJKSGUPXSA-N 2 2 365.275 2.621 10 0 FFAELP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000246851314 510709651 /nfs/dbraw/zinc/70/96/51/510709651.db2.gz RIXMDHINVJEPLB-IAGOWNOFSA-N 2 2 355.486 2.964 10 0 FFAELP CCC[N@H+]1CC[C@H](CNC(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000246851314 510709665 /nfs/dbraw/zinc/70/96/65/510709665.db2.gz RIXMDHINVJEPLB-IAGOWNOFSA-N 2 2 355.486 2.964 10 0 FFAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N(C(C)C)C(C)C)C1 ZINC000195250844 510736805 /nfs/dbraw/zinc/73/68/05/510736805.db2.gz ZKDCJKBCPDBFNJ-QGZVFWFLSA-N 2 2 366.575 2.851 10 0 FFAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](CC(=O)N(C(C)C)C(C)C)C1 ZINC000195250844 510736809 /nfs/dbraw/zinc/73/68/09/510736809.db2.gz ZKDCJKBCPDBFNJ-QGZVFWFLSA-N 2 2 366.575 2.851 10 0 FFAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N(C(C)C)C(C)C)C1 ZINC000195250844 510736812 /nfs/dbraw/zinc/73/68/12/510736812.db2.gz ZKDCJKBCPDBFNJ-QGZVFWFLSA-N 2 2 366.575 2.851 10 0 FFAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](CC(=O)N(C(C)C)C(C)C)C1 ZINC000195250844 510736815 /nfs/dbraw/zinc/73/68/15/510736815.db2.gz ZKDCJKBCPDBFNJ-QGZVFWFLSA-N 2 2 366.575 2.851 10 0 FFAELP COc1ccccc1OCC[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195280798 510758443 /nfs/dbraw/zinc/75/84/43/510758443.db2.gz QMLAALSNXWEGLT-LJQANCHMSA-N 2 2 355.482 2.923 10 0 FFAELP COc1ccccc1OCC[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195280798 510758450 /nfs/dbraw/zinc/75/84/50/510758450.db2.gz QMLAALSNXWEGLT-LJQANCHMSA-N 2 2 355.482 2.923 10 0 FFAELP COc1ccccc1OCC[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195280798 510758459 /nfs/dbraw/zinc/75/84/59/510758459.db2.gz QMLAALSNXWEGLT-LJQANCHMSA-N 2 2 355.482 2.923 10 0 FFAELP COc1ccccc1OCC[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195280798 510758462 /nfs/dbraw/zinc/75/84/62/510758462.db2.gz QMLAALSNXWEGLT-LJQANCHMSA-N 2 2 355.482 2.923 10 0 FFAELP C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195286045 510762101 /nfs/dbraw/zinc/76/21/01/510762101.db2.gz YOIUPYLKSXDQDO-RCLSDMTESA-N 2 2 372.557 2.728 10 0 FFAELP C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195286045 510762109 /nfs/dbraw/zinc/76/21/09/510762109.db2.gz YOIUPYLKSXDQDO-RCLSDMTESA-N 2 2 372.557 2.728 10 0 FFAELP C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195286045 510762114 /nfs/dbraw/zinc/76/21/14/510762114.db2.gz YOIUPYLKSXDQDO-RCLSDMTESA-N 2 2 372.557 2.728 10 0 FFAELP C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195286045 510762118 /nfs/dbraw/zinc/76/21/18/510762118.db2.gz YOIUPYLKSXDQDO-RCLSDMTESA-N 2 2 372.557 2.728 10 0 FFAELP CN(C(=O)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1)C1CCCCC1 ZINC000195301635 510771717 /nfs/dbraw/zinc/77/17/17/510771717.db2.gz HJNUBCHQVPGTAI-IBGZPJMESA-N 2 2 358.530 2.626 10 0 FFAELP CN(C(=O)C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1)C1CCCCC1 ZINC000195301635 510771723 /nfs/dbraw/zinc/77/17/23/510771723.db2.gz HJNUBCHQVPGTAI-IBGZPJMESA-N 2 2 358.530 2.626 10 0 FFAELP CN(C(=O)C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1)C1CCCCC1 ZINC000195301635 510771729 /nfs/dbraw/zinc/77/17/29/510771729.db2.gz HJNUBCHQVPGTAI-IBGZPJMESA-N 2 2 358.530 2.626 10 0 FFAELP CN(C(=O)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1)C1CCCCC1 ZINC000195301635 510771736 /nfs/dbraw/zinc/77/17/36/510771736.db2.gz HJNUBCHQVPGTAI-IBGZPJMESA-N 2 2 358.530 2.626 10 0 FFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@@H](O)COCc1ccccc1Cl ZINC000247211615 510852173 /nfs/dbraw/zinc/85/21/73/510852173.db2.gz XVKZFSRVGBDEAA-ZWKOTPCHSA-N 2 2 363.889 2.887 10 0 FFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@@H](O)COCc1ccccc1Cl ZINC000247211615 510852174 /nfs/dbraw/zinc/85/21/74/510852174.db2.gz XVKZFSRVGBDEAA-ZWKOTPCHSA-N 2 2 363.889 2.887 10 0 FFAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2ccc(N3CCC(C)CC3)[nH+]c2)C1 ZINC000247482651 510862432 /nfs/dbraw/zinc/86/24/32/510862432.db2.gz WFTLDMBQSZHWAV-MJGOQNOKSA-N 2 2 373.545 2.846 10 0 FFAELP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2ccc(N3CCC(C)CC3)[nH+]c2)C1 ZINC000247482651 510862433 /nfs/dbraw/zinc/86/24/33/510862433.db2.gz WFTLDMBQSZHWAV-MJGOQNOKSA-N 2 2 373.545 2.846 10 0 FFAELP Cc1nc(CN(C)[C@@H]2CCC[N@H+](Cc3cccc4[nH+]ccn43)CC2)no1 ZINC000328626000 511898071 /nfs/dbraw/zinc/89/80/71/511898071.db2.gz DQXKTNNFBZLRSJ-MRXNPFEDSA-N 2 2 354.458 2.512 10 0 FFAELP Cc1nc(CN(C)[C@@H]2CCC[N@@H+](Cc3cccc4[nH+]ccn43)CC2)no1 ZINC000328626000 511898075 /nfs/dbraw/zinc/89/80/75/511898075.db2.gz DQXKTNNFBZLRSJ-MRXNPFEDSA-N 2 2 354.458 2.512 10 0 FFAELP C[C@@H](CCn1cccn1)[NH2+]C[C@@H]1CCC[N@H+](C2CC2)[C@H]1c1ccnn1C ZINC000284976086 511953151 /nfs/dbraw/zinc/95/31/51/511953151.db2.gz XFXGFEHPMWLNCW-ABSDTBQOSA-N 2 2 356.518 2.601 10 0 FFAELP C[C@@H](CCn1cccn1)[NH2+]C[C@@H]1CCC[N@@H+](C2CC2)[C@H]1c1ccnn1C ZINC000284976086 511953156 /nfs/dbraw/zinc/95/31/56/511953156.db2.gz XFXGFEHPMWLNCW-ABSDTBQOSA-N 2 2 356.518 2.601 10 0 FFAELP Cn1cc[nH+]c1CN(Cc1nc2c(s1)CCC2)[C@H]1CC12CC[NH2+]CC2 ZINC000583622991 519347148 /nfs/dbraw/zinc/34/71/48/519347148.db2.gz HAMMJEZPFIYHNP-INIZCTEOSA-N 2 2 357.527 2.510 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cn1c(=S)nc2nc(C)cc(C)n21 ZINC000176076894 729108104 /nfs/dbraw/zinc/10/81/04/729108104.db2.gz IATNDWZIZBKJTB-OAHLLOKOSA-N 2 2 357.487 2.504 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cn1c(=S)nc2nc(C)cc(C)n21 ZINC000176076894 729108109 /nfs/dbraw/zinc/10/81/09/729108109.db2.gz IATNDWZIZBKJTB-OAHLLOKOSA-N 2 2 357.487 2.504 10 0 FFAELP CCn1nccc1[C@@H]1OCC[C@H]1C[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000328643040 223124154 /nfs/dbraw/zinc/12/41/54/223124154.db2.gz RGUXLTQRFKUQCH-GHTZIAJQSA-N 2 2 369.513 2.630 10 0 FFAELP COc1ccc(CC[N@H+](C)[C@@H]2CCCN(Cc3c[nH+]c(C)[nH]3)C2)cc1OC ZINC000019228083 220241266 /nfs/dbraw/zinc/24/12/66/220241266.db2.gz MZBVIAAVHXRPNU-LJQANCHMSA-N 2 2 372.513 2.874 10 0 FFAELP COc1ccc(CC[N@@H+](C)[C@@H]2CCCN(Cc3c[nH+]c(C)[nH]3)C2)cc1OC ZINC000019228083 220241269 /nfs/dbraw/zinc/24/12/69/220241269.db2.gz MZBVIAAVHXRPNU-LJQANCHMSA-N 2 2 372.513 2.874 10 0 FFAELP COc1ccc(CC[N@H+](C)[C@@H]2CCCN(Cc3c[nH]c(C)[nH+]3)C2)cc1OC ZINC000019228083 220241273 /nfs/dbraw/zinc/24/12/73/220241273.db2.gz MZBVIAAVHXRPNU-LJQANCHMSA-N 2 2 372.513 2.874 10 0 FFAELP COc1ccc(CC[N@@H+](C)[C@@H]2CCCN(Cc3c[nH]c(C)[nH+]3)C2)cc1OC ZINC000019228083 220241275 /nfs/dbraw/zinc/24/12/75/220241275.db2.gz MZBVIAAVHXRPNU-LJQANCHMSA-N 2 2 372.513 2.874 10 0 FFAELP CC(=O)c1cccc(NC(=O)[C@@H](C)[NH+]2CCC(Cc3[nH+]ccn3C)CC2)c1 ZINC000106166608 250247021 /nfs/dbraw/zinc/24/70/21/250247021.db2.gz XSNKYTCQIMWCJP-OAHLLOKOSA-N 2 2 368.481 2.904 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCC(=O)NC(=O)Nc2ccccc2)C1 ZINC000106215005 250254783 /nfs/dbraw/zinc/25/47/83/250254783.db2.gz DUIRYZXFPMWBDS-QGZVFWFLSA-N 2 2 369.469 2.821 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCC(=O)NC(=O)Nc2ccccc2)C1 ZINC000106215005 250254786 /nfs/dbraw/zinc/25/47/86/250254786.db2.gz DUIRYZXFPMWBDS-QGZVFWFLSA-N 2 2 369.469 2.821 10 0 FFAELP CN(C)C(=O)COc1ccccc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000252802224 251312613 /nfs/dbraw/zinc/31/26/13/251312613.db2.gz HQWDJQXZUMUTPS-PXNSSMCTSA-N 2 2 371.525 2.602 10 0 FFAELP CN(C)C(=O)COc1ccccc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000252802224 251312622 /nfs/dbraw/zinc/31/26/22/251312622.db2.gz HQWDJQXZUMUTPS-PXNSSMCTSA-N 2 2 371.525 2.602 10 0 FFAELP CN(C)C(=O)COc1ccccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000252802224 251312632 /nfs/dbraw/zinc/31/26/32/251312632.db2.gz HQWDJQXZUMUTPS-PXNSSMCTSA-N 2 2 371.525 2.602 10 0 FFAELP CN(C)C(=O)COc1ccccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000252802224 251312637 /nfs/dbraw/zinc/31/26/37/251312637.db2.gz HQWDJQXZUMUTPS-PXNSSMCTSA-N 2 2 371.525 2.602 10 0 FFAELP CCOC(=O)c1c[nH+]c2ccccc2c1NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000301201892 258033266 /nfs/dbraw/zinc/03/32/66/258033266.db2.gz MZPGINYCEVNFKH-OAHLLOKOSA-N 2 2 355.438 2.687 10 0 FFAELP CCOC(=O)c1c[nH+]c2ccccc2c1NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000301201892 258033267 /nfs/dbraw/zinc/03/32/67/258033267.db2.gz MZPGINYCEVNFKH-OAHLLOKOSA-N 2 2 355.438 2.687 10 0 FFAELP C[C@@H](CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000106905046 507827346 /nfs/dbraw/zinc/82/73/46/507827346.db2.gz UECWAMVDBQXADP-PGRDOPGGSA-N 2 2 365.521 2.722 10 0 FFAELP C[C@@H](CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000106905046 507827348 /nfs/dbraw/zinc/82/73/48/507827348.db2.gz UECWAMVDBQXADP-PGRDOPGGSA-N 2 2 365.521 2.722 10 0 FFAELP C[C@H](NC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000074875935 508066739 /nfs/dbraw/zinc/06/67/39/508066739.db2.gz BOTAPRAUYRJYLL-DLBZAZTESA-N 2 2 355.486 2.917 10 0 FFAELP C[C@H](NC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000074875935 508066743 /nfs/dbraw/zinc/06/67/43/508066743.db2.gz BOTAPRAUYRJYLL-DLBZAZTESA-N 2 2 355.486 2.917 10 0 FFAELP CN(Cc1ccc(F)cc1)C(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000114717162 508341005 /nfs/dbraw/zinc/34/10/05/508341005.db2.gz QCZSVNJWWSBZMI-QGZVFWFLSA-N 2 2 356.445 2.613 10 0 FFAELP 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ZINC000150910519 508920962 /nfs/dbraw/zinc/92/09/62/508920962.db2.gz MRMLFSXRNARHHO-SJLPKXTDSA-N 2 2 366.465 2.630 10 0 FFAELP COc1cc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)ccc1OC(F)F ZINC000151270791 508990311 /nfs/dbraw/zinc/99/03/11/508990311.db2.gz YWCKXQMBOJYGSU-ZFWWWQNUSA-N 2 2 358.429 2.794 10 0 FFAELP O=C(NCCn1cc[nH+]c1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000247968187 509204047 /nfs/dbraw/zinc/20/40/47/509204047.db2.gz IOSQBTKZCDCCEQ-VQTJNVASSA-N 2 2 367.497 2.579 10 0 FFAELP O=C(NCCn1cc[nH+]c1)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000247968187 509204054 /nfs/dbraw/zinc/20/40/54/509204054.db2.gz IOSQBTKZCDCCEQ-VQTJNVASSA-N 2 2 367.497 2.579 10 0 FFAELP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)c3cccc(Br)c3)CC[C@H]21 ZINC000247982696 509211502 /nfs/dbraw/zinc/21/15/02/509211502.db2.gz NEUQSLZAYCGBGE-DJIMGWMZSA-N 2 2 353.304 2.899 10 0 FFAELP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)c3cccc(Br)c3)CC[C@H]21 ZINC000247982696 509211508 /nfs/dbraw/zinc/21/15/08/509211508.db2.gz NEUQSLZAYCGBGE-DJIMGWMZSA-N 2 2 353.304 2.899 10 0 FFAELP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](O)c3cccc(Br)c3)CC[C@H]21 ZINC000247982696 509211514 /nfs/dbraw/zinc/21/15/14/509211514.db2.gz NEUQSLZAYCGBGE-DJIMGWMZSA-N 2 2 353.304 2.899 10 0 FFAELP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H](O)c3cccc(Br)c3)CC[C@H]21 ZINC000247982696 509211521 /nfs/dbraw/zinc/21/15/21/509211521.db2.gz NEUQSLZAYCGBGE-DJIMGWMZSA-N 2 2 353.304 2.899 10 0 FFAELP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000248643865 509410418 /nfs/dbraw/zinc/41/04/18/509410418.db2.gz PJRODPYSMUTAGL-CEWLAPEOSA-N 2 2 373.541 2.657 10 0 FFAELP CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000248643865 509410423 /nfs/dbraw/zinc/41/04/23/509410423.db2.gz PJRODPYSMUTAGL-CEWLAPEOSA-N 2 2 373.541 2.657 10 0 FFAELP CCCC[NH+]1CCOC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000248643865 509410428 /nfs/dbraw/zinc/41/04/28/509410428.db2.gz PJRODPYSMUTAGL-CEWLAPEOSA-N 2 2 373.541 2.657 10 0 FFAELP CCCC[NH+]1CCOC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000248643865 509410436 /nfs/dbraw/zinc/41/04/36/509410436.db2.gz PJRODPYSMUTAGL-CEWLAPEOSA-N 2 2 373.541 2.657 10 0 FFAELP CCCC[C@H](C(=O)OC)[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000248658512 509424689 /nfs/dbraw/zinc/42/46/89/509424689.db2.gz UBTALRBPACKGGI-JKSUJKDBSA-N 2 2 353.532 2.937 10 0 FFAELP CCCC[C@H](C(=O)OC)[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000248658512 509424690 /nfs/dbraw/zinc/42/46/90/509424690.db2.gz UBTALRBPACKGGI-JKSUJKDBSA-N 2 2 353.532 2.937 10 0 FFAELP CCCC[C@H](C(=O)OC)[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000248658512 509424717 /nfs/dbraw/zinc/42/47/17/509424717.db2.gz UBTALRBPACKGGI-JKSUJKDBSA-N 2 2 353.532 2.937 10 0 FFAELP C[NH+]1CCN([C@@H]2CCCC[N@H+](Cc3ccn(-c4ccccc4F)n3)C2)CC1 ZINC000189207511 509463643 /nfs/dbraw/zinc/46/36/43/509463643.db2.gz BNUKQFXUKVLOLG-LJQANCHMSA-N 2 2 371.504 2.613 10 0 FFAELP C[NH+]1CCN([C@@H]2CCCC[N@@H+](Cc3ccn(-c4ccccc4F)n3)C2)CC1 ZINC000189207511 509463650 /nfs/dbraw/zinc/46/36/50/509463650.db2.gz BNUKQFXUKVLOLG-LJQANCHMSA-N 2 2 371.504 2.613 10 0 FFAELP CC[N@@H+]1CCC[C@H](N[C@H](c2ccc(Cl)cc2)[C@H]2C[NH+](C)CCO2)C1 ZINC000248748418 509468387 /nfs/dbraw/zinc/46/83/87/509468387.db2.gz SPVQBBSPIMSHQC-IPMKNSEASA-N 2 2 351.922 2.786 10 0 FFAELP CC[N@H+]1CCC[C@H](N[C@H](c2ccc(Cl)cc2)[C@H]2C[NH+](C)CCO2)C1 ZINC000248748418 509468388 /nfs/dbraw/zinc/46/83/88/509468388.db2.gz SPVQBBSPIMSHQC-IPMKNSEASA-N 2 2 351.922 2.786 10 0 FFAELP CC[NH+]1CCC[C@H](N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)C1 ZINC000248748418 509468389 /nfs/dbraw/zinc/46/83/89/509468389.db2.gz SPVQBBSPIMSHQC-IPMKNSEASA-N 2 2 351.922 2.786 10 0 FFAELP CC[NH+]1CCC[C@H](N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000248748418 509468390 /nfs/dbraw/zinc/46/83/90/509468390.db2.gz SPVQBBSPIMSHQC-IPMKNSEASA-N 2 2 351.922 2.786 10 0 FFAELP O[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C[NH+]1CCCCC1 ZINC000249048922 509583446 /nfs/dbraw/zinc/58/34/46/509583446.db2.gz WYXZXQXEYWMGDI-LRSLUSHPSA-N 3 2 357.542 2.618 10 0 FFAELP O[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C[NH+]1CCCCC1 ZINC000249048922 509583453 /nfs/dbraw/zinc/58/34/53/509583453.db2.gz WYXZXQXEYWMGDI-LRSLUSHPSA-N 3 2 357.542 2.618 10 0 FFAELP CCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)C12CCOCC2 ZINC000186253776 509603481 /nfs/dbraw/zinc/60/34/81/509603481.db2.gz RVFFQTTWFWVBKR-UXHICEINSA-N 2 2 359.514 2.610 10 0 FFAELP CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C12CCOCC2 ZINC000186256343 509606966 /nfs/dbraw/zinc/60/69/66/509606966.db2.gz TUZFBRITMKUQDY-LEWJYISDSA-N 2 2 374.525 2.583 10 0 FFAELP C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193625989 509995820 /nfs/dbraw/zinc/99/58/20/509995820.db2.gz LNCJKEIXJVBOQV-LXDRIQHSSA-N 2 2 355.526 2.625 10 0 FFAELP C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193625989 509995829 /nfs/dbraw/zinc/99/58/29/509995829.db2.gz LNCJKEIXJVBOQV-LXDRIQHSSA-N 2 2 355.526 2.625 10 0 FFAELP C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193625989 509995836 /nfs/dbraw/zinc/99/58/36/509995836.db2.gz LNCJKEIXJVBOQV-LXDRIQHSSA-N 2 2 355.526 2.625 10 0 FFAELP C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193625989 509995842 /nfs/dbraw/zinc/99/58/42/509995842.db2.gz LNCJKEIXJVBOQV-LXDRIQHSSA-N 2 2 355.526 2.625 10 0 FFAELP C[N@@H+]1CC[C@@H](C[NH2+]C2CCN(C(N)=O)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245585040 510022598 /nfs/dbraw/zinc/02/25/98/510022598.db2.gz IXPJUYYXZGCXSD-SUMWQHHRSA-N 2 2 368.884 2.605 10 0 FFAELP C[N@H+]1CC[C@@H](C[NH2+]C2CCN(C(N)=O)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245585040 510022601 /nfs/dbraw/zinc/02/26/01/510022601.db2.gz IXPJUYYXZGCXSD-SUMWQHHRSA-N 2 2 368.884 2.605 10 0 FFAELP Cc1ccc([C@@H](CNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)[NH+](C)C)cc1 ZINC000177456244 510070988 /nfs/dbraw/zinc/07/09/88/510070988.db2.gz BQAXGSHXVVGSOI-RTBURBONSA-N 2 2 355.486 2.668 10 0 FFAELP O[C@@H](C[NH2+]CCSCc1ccccc1)C[N@@H+]1CCc2ccccc2C1 ZINC000193901470 510120757 /nfs/dbraw/zinc/12/07/57/510120757.db2.gz OODQQFAVZJIJES-NRFANRHFSA-N 2 2 356.535 2.929 10 0 FFAELP O[C@@H](C[NH2+]CCSCc1ccccc1)C[N@H+]1CCc2ccccc2C1 ZINC000193901470 510120762 /nfs/dbraw/zinc/12/07/62/510120762.db2.gz OODQQFAVZJIJES-NRFANRHFSA-N 2 2 356.535 2.929 10 0 FFAELP Cc1nn(C)c(OCC(F)(F)F)c1C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245749714 510126770 /nfs/dbraw/zinc/12/67/70/510126770.db2.gz HACBNJUBWUWYJI-WFASDCNBSA-N 2 2 371.407 2.949 10 0 FFAELP Cc1nn(C)c(OCC(F)(F)F)c1C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245749714 510126779 /nfs/dbraw/zinc/12/67/79/510126779.db2.gz HACBNJUBWUWYJI-WFASDCNBSA-N 2 2 371.407 2.949 10 0 FFAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2ccc3c(c2)OCCO3)C1 ZINC000190486022 510158773 /nfs/dbraw/zinc/15/87/73/510158773.db2.gz VCNHZJVBONQGHA-LJQANCHMSA-N 2 2 353.466 2.807 10 0 FFAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2ccc3c(c2)OCCO3)C1 ZINC000190486022 510158784 /nfs/dbraw/zinc/15/87/84/510158784.db2.gz VCNHZJVBONQGHA-LJQANCHMSA-N 2 2 353.466 2.807 10 0 FFAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](Cc2ccc3c(c2)OCCO3)C1 ZINC000190486022 510158793 /nfs/dbraw/zinc/15/87/93/510158793.db2.gz VCNHZJVBONQGHA-LJQANCHMSA-N 2 2 353.466 2.807 10 0 FFAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](Cc2ccc3c(c2)OCCO3)C1 ZINC000190486022 510158801 /nfs/dbraw/zinc/15/88/01/510158801.db2.gz VCNHZJVBONQGHA-LJQANCHMSA-N 2 2 353.466 2.807 10 0 FFAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(Cc2[nH+]ccn2CC(F)(F)F)C1 ZINC000190489484 510161383 /nfs/dbraw/zinc/16/13/83/510161383.db2.gz JXYSKHLIXTYNTC-INIZCTEOSA-N 2 2 367.419 2.794 10 0 FFAELP C[N@H+](Cc1cccnc1)C[C@@H]1CCN(Cc2[nH+]ccn2CC(F)(F)F)C1 ZINC000190489484 510161389 /nfs/dbraw/zinc/16/13/89/510161389.db2.gz JXYSKHLIXTYNTC-INIZCTEOSA-N 2 2 367.419 2.794 10 0 FFAELP O=C1[C@@H]([N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CCN1c1c(F)cccc1F ZINC000245868466 510178136 /nfs/dbraw/zinc/17/81/36/510178136.db2.gz MRYHVSDWMKWVQN-PBHICJAKSA-N 2 2 372.419 2.899 10 0 FFAELP O=C1[C@@H]([N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CCN1c1c(F)cccc1F ZINC000245868466 510178139 /nfs/dbraw/zinc/17/81/39/510178139.db2.gz MRYHVSDWMKWVQN-PBHICJAKSA-N 2 2 372.419 2.899 10 0 FFAELP C[NH+](C)CCCCCCCNC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184279464 510237159 /nfs/dbraw/zinc/23/71/59/510237159.db2.gz UBEHNKMHCCGKIA-UHFFFAOYSA-N 2 2 361.534 2.815 10 0 FFAELP O=C(C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)NCCCOC1CCCCC1 ZINC000171641702 510269911 /nfs/dbraw/zinc/26/99/11/510269911.db2.gz SMKFOGWWGIKBOA-SFHVURJKSA-N 2 2 374.529 2.671 10 0 FFAELP O=C(C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)NCCCOC1CCCCC1 ZINC000171641702 510269917 /nfs/dbraw/zinc/26/99/17/510269917.db2.gz SMKFOGWWGIKBOA-SFHVURJKSA-N 2 2 374.529 2.671 10 0 FFAELP O=C(C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)N1CCCc2ccccc21 ZINC000171647618 510278881 /nfs/dbraw/zinc/27/88/81/510278881.db2.gz POLQWFIIRBUUOY-KRWDZBQOSA-N 2 2 350.466 2.795 10 0 FFAELP O=C(C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)N1CCCc2ccccc21 ZINC000171647618 510278889 /nfs/dbraw/zinc/27/88/89/510278889.db2.gz POLQWFIIRBUUOY-KRWDZBQOSA-N 2 2 350.466 2.795 10 0 FFAELP COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c(OC)c1 ZINC000178284443 510526437 /nfs/dbraw/zinc/52/64/37/510526437.db2.gz OLPCEIORJBKVIT-GOEBONIOSA-N 2 2 372.469 2.700 10 0 FFAELP COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c(OC)c1 ZINC000178284443 510526445 /nfs/dbraw/zinc/52/64/45/510526445.db2.gz OLPCEIORJBKVIT-GOEBONIOSA-N 2 2 372.469 2.700 10 0 FFAELP Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)n(C(C)(C)C)n1 ZINC000178324855 510546002 /nfs/dbraw/zinc/54/60/02/510546002.db2.gz YABAYMDPRVZXTI-MRXNPFEDSA-N 2 2 358.490 2.555 10 0 FFAELP Cc1cc(NC(=O)C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)n(C(C)(C)C)n1 ZINC000178324855 510546006 /nfs/dbraw/zinc/54/60/06/510546006.db2.gz YABAYMDPRVZXTI-MRXNPFEDSA-N 2 2 358.490 2.555 10 0 FFAELP C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C[C@H]1C ZINC000181918629 510658839 /nfs/dbraw/zinc/65/88/39/510658839.db2.gz HTZCZWCICWPUQS-HZPDHXFCSA-N 2 2 370.453 2.793 10 0 FFAELP C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C[C@H]1C ZINC000181918629 510658844 /nfs/dbraw/zinc/65/88/44/510658844.db2.gz HTZCZWCICWPUQS-HZPDHXFCSA-N 2 2 370.453 2.793 10 0 FFAELP Brc1ccc2[nH+]cc(C[N@@H+]3CCS[C@@H]4COCC[C@H]43)n2c1 ZINC000246806861 510684594 /nfs/dbraw/zinc/68/45/94/510684594.db2.gz QWWQOZZQCIMONT-ZIAGYGMSSA-N 2 2 368.300 2.803 10 0 FFAELP Brc1ccc2[nH+]cc(C[N@H+]3CCS[C@@H]4COCC[C@H]43)n2c1 ZINC000246806861 510684598 /nfs/dbraw/zinc/68/45/98/510684598.db2.gz QWWQOZZQCIMONT-ZIAGYGMSSA-N 2 2 368.300 2.803 10 0 FFAELP CCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195256122 510740820 /nfs/dbraw/zinc/74/08/20/510740820.db2.gz WJOZDOVWBKASDA-HZPDHXFCSA-N 2 2 352.548 2.510 10 0 FFAELP CCCCNC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195256122 510740830 /nfs/dbraw/zinc/74/08/30/510740830.db2.gz WJOZDOVWBKASDA-HZPDHXFCSA-N 2 2 352.548 2.510 10 0 FFAELP CCCCNC(=O)[C@@H](C)[NH+]1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195256122 510740835 /nfs/dbraw/zinc/74/08/35/510740835.db2.gz WJOZDOVWBKASDA-HZPDHXFCSA-N 2 2 352.548 2.510 10 0 FFAELP CCCCNC(=O)[C@@H](C)[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195256122 510740840 /nfs/dbraw/zinc/74/08/40/510740840.db2.gz WJOZDOVWBKASDA-HZPDHXFCSA-N 2 2 352.548 2.510 10 0 FFAELP COC(=O)c1cccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000195273854 510752972 /nfs/dbraw/zinc/75/29/72/510752972.db2.gz LMVVOZDXPWCMRI-LJQANCHMSA-N 2 2 353.466 2.822 10 0 FFAELP COC(=O)c1cccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000195273854 510752975 /nfs/dbraw/zinc/75/29/75/510752975.db2.gz LMVVOZDXPWCMRI-LJQANCHMSA-N 2 2 353.466 2.822 10 0 FFAELP COC(=O)c1cccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)c1 ZINC000195273854 510752979 /nfs/dbraw/zinc/75/29/79/510752979.db2.gz LMVVOZDXPWCMRI-LJQANCHMSA-N 2 2 353.466 2.822 10 0 FFAELP COC(=O)c1cccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)c1 ZINC000195273854 510752983 /nfs/dbraw/zinc/75/29/83/510752983.db2.gz LMVVOZDXPWCMRI-LJQANCHMSA-N 2 2 353.466 2.822 10 0 FFAELP CC(C)[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)C1 ZINC000247003229 510794604 /nfs/dbraw/zinc/79/46/04/510794604.db2.gz KTCVUYJIHGTXPJ-JTDSTZFVSA-N 2 2 365.543 2.606 10 0 FFAELP CC(C)[N@H+]1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)C1 ZINC000247003229 510794607 /nfs/dbraw/zinc/79/46/07/510794607.db2.gz KTCVUYJIHGTXPJ-JTDSTZFVSA-N 2 2 365.543 2.606 10 0 FFAELP CC[N@H+](Cc1ccc(C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)cc1)C(C)C ZINC000247180625 510848889 /nfs/dbraw/zinc/84/88/89/510848889.db2.gz RZSOKSWOTOXJHF-RXVVDRJESA-N 2 2 373.541 2.710 10 0 FFAELP CC[N@@H+](Cc1ccc(C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)cc1)C(C)C ZINC000247180625 510848891 /nfs/dbraw/zinc/84/88/91/510848891.db2.gz RZSOKSWOTOXJHF-RXVVDRJESA-N 2 2 373.541 2.710 10 0 FFAELP O[C@H](COCc1ccccc1F)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000247398254 510859539 /nfs/dbraw/zinc/85/95/39/510859539.db2.gz RBCVVHLNQHKTKN-WMZOPIPTSA-N 2 2 359.445 2.532 10 0 FFAELP O[C@H](COCc1ccccc1F)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000247398254 510859540 /nfs/dbraw/zinc/85/95/40/510859540.db2.gz RBCVVHLNQHKTKN-WMZOPIPTSA-N 2 2 359.445 2.532 10 0 FFAELP Cc1ccc2[nH+]c(CSCC(=O)N[C@H]3C[N@H+](C(C)C)C[C@H]3C)cn2c1 ZINC000247481774 510862437 /nfs/dbraw/zinc/86/24/37/510862437.db2.gz WEOUUDMKQREDSE-WBVHZDCISA-N 2 2 360.527 2.721 10 0 FFAELP Cc1ccc2[nH+]c(CSCC(=O)N[C@H]3C[N@@H+](C(C)C)C[C@H]3C)cn2c1 ZINC000247481774 510862438 /nfs/dbraw/zinc/86/24/38/510862438.db2.gz WEOUUDMKQREDSE-WBVHZDCISA-N 2 2 360.527 2.721 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N[C@H]2CCOc3ccccc32)C1 ZINC000247773143 510870080 /nfs/dbraw/zinc/87/00/80/510870080.db2.gz PUMCCCAKHPHPOU-AEFFLSMTSA-N 2 2 368.481 2.722 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N[C@H]2CCOc3ccccc32)C1 ZINC000247773143 510870081 /nfs/dbraw/zinc/87/00/81/510870081.db2.gz PUMCCCAKHPHPOU-AEFFLSMTSA-N 2 2 368.481 2.722 10 0 FFAELP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)nc[nH+]1 ZINC000333573967 511289639 /nfs/dbraw/zinc/28/96/39/511289639.db2.gz SHVWVBKBMDICSP-GHHWKCCRSA-N 2 2 359.518 2.656 10 0 FFAELP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)[nH+]cn1 ZINC000333573967 511289643 /nfs/dbraw/zinc/28/96/43/511289643.db2.gz SHVWVBKBMDICSP-GHHWKCCRSA-N 2 2 359.518 2.656 10 0 FFAELP Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333833024 511367735 /nfs/dbraw/zinc/36/77/35/511367735.db2.gz MWKFYUDOSNRGGK-IAGOWNOFSA-N 2 2 355.486 2.661 10 0 FFAELP Cn1nccc1[C@H]1[C@H](C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)CCC[N@@H+]1C ZINC000284498155 511746258 /nfs/dbraw/zinc/74/62/58/511746258.db2.gz KETISLWKSFLESP-IFXJQAMLSA-N 2 2 354.458 2.576 10 0 FFAELP Cn1nccc1[C@H]1[C@H](C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)CCC[N@H+]1C ZINC000284498155 511746264 /nfs/dbraw/zinc/74/62/64/511746264.db2.gz KETISLWKSFLESP-IFXJQAMLSA-N 2 2 354.458 2.576 10 0 FFAELP Cn1nccc1[C@H]1[C@H](C[N@H+](C)Cc2cccc3c2OCO3)CCC[NH+]1C ZINC000284815228 511882108 /nfs/dbraw/zinc/88/21/08/511882108.db2.gz LFUYPNLDTJFNLT-HNAYVOBHSA-N 2 2 356.470 2.664 10 0 FFAELP Cn1nccc1[C@H]1[C@H](C[N@@H+](C)Cc2cccc3c2OCO3)CCC[NH+]1C ZINC000284815228 511882114 /nfs/dbraw/zinc/88/21/14/511882114.db2.gz LFUYPNLDTJFNLT-HNAYVOBHSA-N 2 2 356.470 2.664 10 0 FFAELP Cn1nccc1[C@H]1[C@H](C[NH+](C)Cc2cccc3c2OCO3)CCC[N@@H+]1C ZINC000284815228 511882122 /nfs/dbraw/zinc/88/21/22/511882122.db2.gz LFUYPNLDTJFNLT-HNAYVOBHSA-N 2 2 356.470 2.664 10 0 FFAELP Cn1nccc1[C@H]1[C@H](C[NH+](C)Cc2cccc3c2OCO3)CCC[N@H+]1C ZINC000284815228 511882129 /nfs/dbraw/zinc/88/21/29/511882129.db2.gz LFUYPNLDTJFNLT-HNAYVOBHSA-N 2 2 356.470 2.664 10 0 FFAELP Cn1cc([C@H]2[C@H](C[N@H+](C)Cc3nc4c(cccc4F)[nH]3)CCC[NH+]2C)cn1 ZINC000328631723 511901661 /nfs/dbraw/zinc/90/16/61/511901661.db2.gz KUHOAMRYSKANJW-VBKZILBWSA-N 2 2 370.476 2.950 10 0 FFAELP Cn1cc([C@H]2[C@H](C[N@@H+](C)Cc3nc4c(cccc4F)[nH]3)CCC[NH+]2C)cn1 ZINC000328631723 511901665 /nfs/dbraw/zinc/90/16/65/511901665.db2.gz KUHOAMRYSKANJW-VBKZILBWSA-N 2 2 370.476 2.950 10 0 FFAELP Cn1cc([C@H]2[C@H](C[NH+](C)Cc3nc4c(cccc4F)[nH]3)CCC[N@@H+]2C)cn1 ZINC000328631723 511901670 /nfs/dbraw/zinc/90/16/70/511901670.db2.gz KUHOAMRYSKANJW-VBKZILBWSA-N 2 2 370.476 2.950 10 0 FFAELP Cn1cc([C@H]2[C@H](C[NH+](C)Cc3nc4c(cccc4F)[nH]3)CCC[N@H+]2C)cn1 ZINC000328631723 511901677 /nfs/dbraw/zinc/90/16/77/511901677.db2.gz KUHOAMRYSKANJW-VBKZILBWSA-N 2 2 370.476 2.950 10 0 FFAELP CC[N@@H+](Cc1c(C)nn(C)c1OC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000093564683 250038987 /nfs/dbraw/zinc/03/89/87/250038987.db2.gz IRVKYSGOOPKAMC-UHFFFAOYSA-N 2 2 357.502 2.871 10 0 FFAELP CC[N@H+](Cc1c(C)nn(C)c1OC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000093564683 250038989 /nfs/dbraw/zinc/03/89/89/250038989.db2.gz IRVKYSGOOPKAMC-UHFFFAOYSA-N 2 2 357.502 2.871 10 0 FFAELP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@@H](C)c3nnnn3-c3ccccc3)C2)[nH+]1 ZINC000103473933 250152622 /nfs/dbraw/zinc/15/26/22/250152622.db2.gz ZMFPKPATVZJFNQ-IRXDYDNUSA-N 2 2 363.469 2.861 10 0 FFAELP Cc1cccc(NC[C@@H]2CC[N@H+]([C@@H](C)c3nnnn3-c3ccccc3)C2)[nH+]1 ZINC000103473933 250152628 /nfs/dbraw/zinc/15/26/28/250152628.db2.gz ZMFPKPATVZJFNQ-IRXDYDNUSA-N 2 2 363.469 2.861 10 0 FFAELP Cc1cc(C)n(C[C@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CCO2)n1 ZINC000106201680 250252606 /nfs/dbraw/zinc/25/26/06/250252606.db2.gz ZKGTYHLZXZEHCA-HXUWFJFHSA-N 2 2 351.454 2.587 10 0 FFAELP Cc1cc(C)n(C[C@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CCO2)n1 ZINC000106201680 250252611 /nfs/dbraw/zinc/25/26/11/250252611.db2.gz ZKGTYHLZXZEHCA-HXUWFJFHSA-N 2 2 351.454 2.587 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NCc2cccc(OC)c2)C1 ZINC000106213881 250256964 /nfs/dbraw/zinc/25/69/64/250256964.db2.gz RBAMZKQIBGMMOI-FUHWJXTLSA-N 2 2 370.497 2.796 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NCc2cccc(OC)c2)C1 ZINC000106213881 250256968 /nfs/dbraw/zinc/25/69/68/250256968.db2.gz RBAMZKQIBGMMOI-FUHWJXTLSA-N 2 2 370.497 2.796 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)NCc2cccc(COC)c2)C1 ZINC000106212979 250257168 /nfs/dbraw/zinc/25/71/68/250257168.db2.gz LCIPFVZTDXYCPO-LJQANCHMSA-N 2 2 370.497 2.545 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)NCc2cccc(COC)c2)C1 ZINC000106212979 250257170 /nfs/dbraw/zinc/25/71/70/250257170.db2.gz LCIPFVZTDXYCPO-LJQANCHMSA-N 2 2 370.497 2.545 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(C(C)=O)c2)C1 ZINC000106217459 250258599 /nfs/dbraw/zinc/25/85/99/250258599.db2.gz MRTNZAYNJKHSQF-GOSISDBHSA-N 2 2 354.454 2.924 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(C(C)=O)c2)C1 ZINC000106217459 250258603 /nfs/dbraw/zinc/25/86/03/250258603.db2.gz MRTNZAYNJKHSQF-GOSISDBHSA-N 2 2 354.454 2.924 10 0 FFAELP CCc1c(C(=O)C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)[nH]c(C)c1C(C)=O ZINC000132238626 251057555 /nfs/dbraw/zinc/05/75/55/251057555.db2.gz KVSYNHLOENYUDK-MRXNPFEDSA-N 2 2 356.470 2.940 10 0 FFAELP CCc1c(C(=O)C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)[nH]c(C)c1C(C)=O ZINC000132238626 251057560 /nfs/dbraw/zinc/05/75/60/251057560.db2.gz KVSYNHLOENYUDK-MRXNPFEDSA-N 2 2 356.470 2.940 10 0 FFAELP OC[C@@H]1CCCN1c1cc(N[C@H]2CCC[N@@H+](C3CCCCC3)C2)nc[nH+]1 ZINC000301195458 258033497 /nfs/dbraw/zinc/03/34/97/258033497.db2.gz JZARWECDFUBMEX-WMZOPIPTSA-N 2 2 359.518 2.647 10 0 FFAELP OC[C@@H]1CCCN1c1cc(N[C@H]2CCC[N@H+](C3CCCCC3)C2)nc[nH+]1 ZINC000301195458 258033498 /nfs/dbraw/zinc/03/34/98/258033498.db2.gz JZARWECDFUBMEX-WMZOPIPTSA-N 2 2 359.518 2.647 10 0 FFAELP C[C@@H]1CCC[C@@](CNc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)([NH+](C)C)C1 ZINC000301254847 258037543 /nfs/dbraw/zinc/03/75/43/258037543.db2.gz QVGZUFGJQITFAF-MBOZVWFJSA-N 2 2 361.534 2.608 10 0 FFAELP CC(C)[C@@H]1OCCC[C@@H]1Nc1nc(N2CC[N@@H+]3CCCC[C@H]3C2)cc[nH+]1 ZINC000330137927 258156377 /nfs/dbraw/zinc/15/63/77/258156377.db2.gz ODODZKGZLMVHKS-LNLFQRSKSA-N 2 2 359.518 2.767 10 0 FFAELP CC(C)[C@@H]1OCCC[C@@H]1Nc1nc(N2CC[N@H+]3CCCC[C@H]3C2)cc[nH+]1 ZINC000330137927 258156378 /nfs/dbraw/zinc/15/63/78/258156378.db2.gz ODODZKGZLMVHKS-LNLFQRSKSA-N 2 2 359.518 2.767 10 0 FFAELP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC[NH2+]C[C@@](C)(F)C3)n2)C1 ZINC000333131856 258251553 /nfs/dbraw/zinc/25/15/53/258251553.db2.gz JRALGRZKRHKCIG-CXAGYDPISA-N 2 2 369.510 2.540 10 0 FFAELP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC[NH2+]C[C@@](C)(F)C3)n2)C1 ZINC000333131856 258251554 /nfs/dbraw/zinc/25/15/54/258251554.db2.gz JRALGRZKRHKCIG-CXAGYDPISA-N 2 2 369.510 2.540 10 0 FFAELP Cc1[nH+]c2ccccc2n1CCNC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000045101079 506917977 /nfs/dbraw/zinc/91/79/77/506917977.db2.gz KWVQVWMYEQLMMS-UHFFFAOYSA-N 2 2 355.486 2.615 10 0 FFAELP CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000051781365 507784553 /nfs/dbraw/zinc/78/45/53/507784553.db2.gz JSPGDRXWEFMOAY-HNNXBMFYSA-N 2 2 370.453 2.659 10 0 FFAELP CNc1cc(N2CCC[C@@H]2C[NH2+]C/C=C/c2ccccc2OC)nc[nH+]1 ZINC000109069853 507935686 /nfs/dbraw/zinc/93/56/86/507935686.db2.gz OLJAIYGQXZBGTK-ZGRWHYIRSA-N 2 2 353.470 2.799 10 0 FFAELP C[C@@H](NC(=O)NCCC1CC[NH+](C)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000074086201 507984582 /nfs/dbraw/zinc/98/45/82/507984582.db2.gz LPJNLPKQMGCEDU-MRXNPFEDSA-N 2 2 355.486 2.964 10 0 FFAELP C[C@@H](NC(=O)N1CC[C@H]([NH+]2CCCC2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000074876263 508066963 /nfs/dbraw/zinc/06/69/63/508066963.db2.gz HUINBTHOHWALDV-APWZRJJASA-N 2 2 353.470 2.813 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)NCc2ccc(C)c(F)c2)C1 ZINC000106214686 508397902 /nfs/dbraw/zinc/39/79/02/508397902.db2.gz GIMPNCULVMRUSJ-KRWDZBQOSA-N 2 2 358.461 2.846 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(C)c(F)c2)C1 ZINC000106214686 508397903 /nfs/dbraw/zinc/39/79/03/508397903.db2.gz GIMPNCULVMRUSJ-KRWDZBQOSA-N 2 2 358.461 2.846 10 0 FFAELP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000116643385 508542019 /nfs/dbraw/zinc/54/20/19/508542019.db2.gz CDXAGWDFCIZLHG-NRFANRHFSA-N 2 2 367.493 2.630 10 0 FFAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000157737201 508604649 /nfs/dbraw/zinc/60/46/49/508604649.db2.gz JQUGAZWKYLAGQX-MAUKXSAKSA-N 2 2 357.502 2.763 10 0 FFAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000157737201 508604653 /nfs/dbraw/zinc/60/46/53/508604653.db2.gz JQUGAZWKYLAGQX-MAUKXSAKSA-N 2 2 357.502 2.763 10 0 FFAELP CCC[C@H](C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)[NH+](C)C ZINC000154943359 508888222 /nfs/dbraw/zinc/88/82/22/508888222.db2.gz WUWCYBVSBQQGLH-RDTXWAMCSA-N 2 2 353.457 2.776 10 0 FFAELP CCC[C@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)[NH+](C)C ZINC000154943359 508888223 /nfs/dbraw/zinc/88/82/23/508888223.db2.gz WUWCYBVSBQQGLH-RDTXWAMCSA-N 2 2 353.457 2.776 10 0 FFAELP COCCn1c(C)cc(C(=O)C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)c1C ZINC000131480731 508938504 /nfs/dbraw/zinc/93/85/04/508938504.db2.gz RGGZSAGXBQORLD-UHFFFAOYSA-N 2 2 372.513 2.622 10 0 FFAELP COc1cc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)ccc1OC(F)F ZINC000151270926 508990585 /nfs/dbraw/zinc/99/05/85/508990585.db2.gz YWCKXQMBOJYGSU-DZGCQCFKSA-N 2 2 358.429 2.794 10 0 FFAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2nc3ccccc3o2)nc[nH+]1 ZINC000182452024 509246555 /nfs/dbraw/zinc/24/65/55/509246555.db2.gz YOPFBJMTXJYCGW-UONOGXRCSA-N 2 2 352.442 2.979 10 0 FFAELP C[C@@H](NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)c1cccs1 ZINC000179104843 509266003 /nfs/dbraw/zinc/26/60/03/509266003.db2.gz YZNRNIDVYRCZCF-VPSFDDGASA-N 2 2 362.543 2.762 10 0 FFAELP C[C@@H](NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)c1cccs1 ZINC000179104843 509266011 /nfs/dbraw/zinc/26/60/11/509266011.db2.gz YZNRNIDVYRCZCF-VPSFDDGASA-N 2 2 362.543 2.762 10 0 FFAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000192118907 509354096 /nfs/dbraw/zinc/35/40/96/509354096.db2.gz HFQVMKVGPRFAKG-QFIPXVFZSA-N 3 2 367.541 2.783 10 0 FFAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000192118907 509354101 /nfs/dbraw/zinc/35/41/01/509354101.db2.gz HFQVMKVGPRFAKG-QFIPXVFZSA-N 3 2 367.541 2.783 10 0 FFAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+]([C@H]2Cc3ccccc3[C@@H]2O)C1 ZINC000248662523 509426109 /nfs/dbraw/zinc/42/61/09/509426109.db2.gz YJOARDRNFJRCFI-QSFXBCCZSA-N 2 2 357.523 2.864 10 0 FFAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+]([C@H]2Cc3ccccc3[C@@H]2O)C1 ZINC000248662523 509426119 /nfs/dbraw/zinc/42/61/19/509426119.db2.gz YJOARDRNFJRCFI-QSFXBCCZSA-N 2 2 357.523 2.864 10 0 FFAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2Cc3ccccc3[C@@H]2O)C1 ZINC000248662523 509426128 /nfs/dbraw/zinc/42/61/28/509426128.db2.gz YJOARDRNFJRCFI-QSFXBCCZSA-N 2 2 357.523 2.864 10 0 FFAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+]([C@H]2Cc3ccccc3[C@@H]2O)C1 ZINC000248662523 509426135 /nfs/dbraw/zinc/42/61/35/509426135.db2.gz YJOARDRNFJRCFI-QSFXBCCZSA-N 2 2 357.523 2.864 10 0 FFAELP CC[N@@H+]1CCC[C@H](N[C@H](c2ccc(Cl)cc2)[C@@H]2C[NH+](C)CCO2)C1 ZINC000248748410 509468426 /nfs/dbraw/zinc/46/84/26/509468426.db2.gz SPVQBBSPIMSHQC-GBESFXJTSA-N 2 2 351.922 2.786 10 0 FFAELP CC[N@H+]1CCC[C@H](N[C@H](c2ccc(Cl)cc2)[C@@H]2C[NH+](C)CCO2)C1 ZINC000248748410 509468427 /nfs/dbraw/zinc/46/84/27/509468427.db2.gz SPVQBBSPIMSHQC-GBESFXJTSA-N 2 2 351.922 2.786 10 0 FFAELP CC[NH+]1CCC[C@H](N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000248748410 509468430 /nfs/dbraw/zinc/46/84/30/509468430.db2.gz SPVQBBSPIMSHQC-GBESFXJTSA-N 2 2 351.922 2.786 10 0 FFAELP CC[NH+]1CCC[C@H](N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000248748410 509468433 /nfs/dbraw/zinc/46/84/33/509468433.db2.gz SPVQBBSPIMSHQC-GBESFXJTSA-N 2 2 351.922 2.786 10 0 FFAELP CC(C)c1cccc(NC(=O)C[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c1 ZINC000182895676 509482272 /nfs/dbraw/zinc/48/22/72/509482272.db2.gz TYCWFKJBLHDRRT-OAQYLSRUSA-N 2 2 372.557 2.850 10 0 FFAELP CC(C)c1cccc(NC(=O)C[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c1 ZINC000182895676 509482279 /nfs/dbraw/zinc/48/22/79/509482279.db2.gz TYCWFKJBLHDRRT-OAQYLSRUSA-N 2 2 372.557 2.850 10 0 FFAELP O=S1(=O)CC[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)c2ccccc21 ZINC000192972438 509719741 /nfs/dbraw/zinc/71/97/41/509719741.db2.gz KGXGQNYCFMCBTF-QGZVFWFLSA-N 2 2 357.479 2.559 10 0 FFAELP Cc1cccc(N2CCC(NC(=O)NCc3[nH+]ccn3CC(C)C)CC2)[nH+]1 ZINC000176855505 509727989 /nfs/dbraw/zinc/72/79/89/509727989.db2.gz AAWKZENQBWRULI-UHFFFAOYSA-N 2 2 370.501 2.711 10 0 FFAELP O=C(CC[NH+]1CCC(C[NH+]2CCOCC2)CC1)c1ccc(F)cc1F ZINC000186680599 509847936 /nfs/dbraw/zinc/84/79/36/509847936.db2.gz XVDDCJAYZUIQCY-UHFFFAOYSA-N 2 2 352.425 2.582 10 0 FFAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177357217 510010772 /nfs/dbraw/zinc/01/07/72/510010772.db2.gz JIOQZFZBJQJTTK-QGZVFWFLSA-N 2 2 366.469 2.806 10 0 FFAELP CCOCc1ccccc1CNC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245598743 510029545 /nfs/dbraw/zinc/02/95/45/510029545.db2.gz LZFIQKADPIKCBP-XLIONFOSSA-N 2 2 370.497 2.619 10 0 FFAELP CCOCc1ccccc1CNC(=O)C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245598743 510029556 /nfs/dbraw/zinc/02/95/56/510029556.db2.gz LZFIQKADPIKCBP-XLIONFOSSA-N 2 2 370.497 2.619 10 0 FFAELP C[C@@H]([NH2+]Cc1nc2ccccc2c(=O)n1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180645080 510031471 /nfs/dbraw/zinc/03/14/71/510031471.db2.gz PNOFCNJNSJAEIC-OAHLLOKOSA-N 2 2 359.433 2.970 10 0 FFAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](Cc3ccc(C(F)F)cc3)CC2)C1 ZINC000183939460 510048171 /nfs/dbraw/zinc/04/81/71/510048171.db2.gz XBUBRFZYJPMZFM-IBGZPJMESA-N 2 2 367.484 2.851 10 0 FFAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](Cc3ccc(C(F)F)cc3)CC2)C1 ZINC000183939460 510048182 /nfs/dbraw/zinc/04/81/82/510048182.db2.gz XBUBRFZYJPMZFM-IBGZPJMESA-N 2 2 367.484 2.851 10 0 FFAELP O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177589055 510149166 /nfs/dbraw/zinc/14/91/66/510149166.db2.gz GLQZALADBLVLLR-LJQANCHMSA-N 2 2 359.518 2.854 10 0 FFAELP CC(=O)Nc1ccccc1C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190473562 510152835 /nfs/dbraw/zinc/15/28/35/510152835.db2.gz RPRXLNXSTQWVHK-LJQANCHMSA-N 2 2 352.482 2.994 10 0 FFAELP CC(=O)Nc1ccccc1C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190473562 510152841 /nfs/dbraw/zinc/15/28/41/510152841.db2.gz RPRXLNXSTQWVHK-LJQANCHMSA-N 2 2 352.482 2.994 10 0 FFAELP CC(=O)Nc1ccccc1C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190473562 510152846 /nfs/dbraw/zinc/15/28/46/510152846.db2.gz RPRXLNXSTQWVHK-LJQANCHMSA-N 2 2 352.482 2.994 10 0 FFAELP CC(=O)Nc1ccccc1C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190473562 510152847 /nfs/dbraw/zinc/15/28/47/510152847.db2.gz RPRXLNXSTQWVHK-LJQANCHMSA-N 2 2 352.482 2.994 10 0 FFAELP C[N@@H+](Cc1cccnc1)C[C@H]1CCN(Cc2[nH+]ccn2CC(F)(F)F)C1 ZINC000190489507 510161706 /nfs/dbraw/zinc/16/17/06/510161706.db2.gz JXYSKHLIXTYNTC-MRXNPFEDSA-N 2 2 367.419 2.794 10 0 FFAELP C[N@H+](Cc1cccnc1)C[C@H]1CCN(Cc2[nH+]ccn2CC(F)(F)F)C1 ZINC000190489507 510161710 /nfs/dbraw/zinc/16/17/10/510161710.db2.gz JXYSKHLIXTYNTC-MRXNPFEDSA-N 2 2 367.419 2.794 10 0 FFAELP Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000245955223 510227710 /nfs/dbraw/zinc/22/77/10/510227710.db2.gz WJUUMGYPXAOIRK-DUNLSBIDSA-N 2 2 367.537 2.868 10 0 FFAELP Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000245955223 510227716 /nfs/dbraw/zinc/22/77/16/510227716.db2.gz WJUUMGYPXAOIRK-DUNLSBIDSA-N 2 2 367.537 2.868 10 0 FFAELP COc1cc(-c2noc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)n2)ccc1C ZINC000245974340 510236684 /nfs/dbraw/zinc/23/66/84/510236684.db2.gz WOPJSRVKFIAVRU-DLBZAZTESA-N 2 2 356.470 2.970 10 0 FFAELP COc1cc(-c2noc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)n2)ccc1C ZINC000245974340 510236691 /nfs/dbraw/zinc/23/66/91/510236691.db2.gz WOPJSRVKFIAVRU-DLBZAZTESA-N 2 2 356.470 2.970 10 0 FFAELP COc1cc(-c2noc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)n2)ccc1C ZINC000245974340 510236695 /nfs/dbraw/zinc/23/66/95/510236695.db2.gz WOPJSRVKFIAVRU-DLBZAZTESA-N 2 2 356.470 2.970 10 0 FFAELP COc1cc(-c2noc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)n2)ccc1C ZINC000245974340 510236701 /nfs/dbraw/zinc/23/67/01/510236701.db2.gz WOPJSRVKFIAVRU-DLBZAZTESA-N 2 2 356.470 2.970 10 0 FFAELP C[C@@H](CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C)[N@@H+]1CCc2sccc2C1 ZINC000171608356 510249728 /nfs/dbraw/zinc/24/97/28/510249728.db2.gz VFGDTIPPTGWMKU-QFBILLFUSA-N 2 2 371.550 2.784 10 0 FFAELP C[C@@H](CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C)[N@H+]1CCc2sccc2C1 ZINC000171608356 510249734 /nfs/dbraw/zinc/24/97/34/510249734.db2.gz VFGDTIPPTGWMKU-QFBILLFUSA-N 2 2 371.550 2.784 10 0 FFAELP CC(=O)c1ccccc1NC(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171647073 510274470 /nfs/dbraw/zinc/27/44/70/510274470.db2.gz DRIOKICMWUEJQO-INIZCTEOSA-N 2 2 352.438 2.657 10 0 FFAELP CC(=O)c1ccccc1NC(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171647073 510274474 /nfs/dbraw/zinc/27/44/74/510274474.db2.gz DRIOKICMWUEJQO-INIZCTEOSA-N 2 2 352.438 2.657 10 0 FFAELP COc1ccccc1[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171645604 510275487 /nfs/dbraw/zinc/27/54/87/510275487.db2.gz YSZOHEZZUFSMGF-IAGOWNOFSA-N 2 2 368.481 2.701 10 0 FFAELP COc1ccccc1[C@@H](C)NC(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171645604 510275498 /nfs/dbraw/zinc/27/54/98/510275498.db2.gz YSZOHEZZUFSMGF-IAGOWNOFSA-N 2 2 368.481 2.701 10 0 FFAELP CC(C)(C)c1cc(NC(=O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)on1 ZINC000171644864 510275701 /nfs/dbraw/zinc/27/57/01/510275701.db2.gz WEVAWWWZGLFIKM-CQSZACIVSA-N 2 2 357.458 2.740 10 0 FFAELP CC(C)(C)c1cc(NC(=O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)on1 ZINC000171644864 510275707 /nfs/dbraw/zinc/27/57/07/510275707.db2.gz WEVAWWWZGLFIKM-CQSZACIVSA-N 2 2 357.458 2.740 10 0 FFAELP Cc1cccc(NC[C@H]2CC[N@H+](Cc3nc4ccsc4c(=O)[nH]3)C2)[nH+]1 ZINC000171652372 510281427 /nfs/dbraw/zinc/28/14/27/510281427.db2.gz BSAHCKYRXVSHQA-CYBMUJFWSA-N 2 2 355.467 2.622 10 0 FFAELP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3nc4ccsc4c(=O)[nH]3)C2)[nH+]1 ZINC000171652372 510281431 /nfs/dbraw/zinc/28/14/31/510281431.db2.gz BSAHCKYRXVSHQA-CYBMUJFWSA-N 2 2 355.467 2.622 10 0 FFAELP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000246325686 510427681 /nfs/dbraw/zinc/42/76/81/510427681.db2.gz FVIAEGKVZFGBOV-SJLPKXTDSA-N 2 2 371.485 2.812 10 0 FFAELP CCc1nnc(C[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)n1C ZINC000181628134 510509732 /nfs/dbraw/zinc/50/97/32/510509732.db2.gz OUHFFKVGLMYLCI-OAHLLOKOSA-N 2 2 374.508 2.509 10 0 FFAELP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000181741728 510568741 /nfs/dbraw/zinc/56/87/41/510568741.db2.gz PXIPQKXABNLJFB-RBUKOAKNSA-N 2 2 372.513 2.609 10 0 FFAELP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000181741728 510568744 /nfs/dbraw/zinc/56/87/44/510568744.db2.gz PXIPQKXABNLJFB-RBUKOAKNSA-N 2 2 372.513 2.609 10 0 FFAELP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000263192575 510605106 /nfs/dbraw/zinc/60/51/06/510605106.db2.gz IBMHLEUXEUTWLF-OTYXRUKQSA-N 2 2 358.294 2.787 10 0 FFAELP CCOC(=O)c1c[nH+]c2ccccc2c1N1CC[N@H+](C[C@H](C)O)[C@H](CC)C1 ZINC000246687709 510617641 /nfs/dbraw/zinc/61/76/41/510617641.db2.gz YPTPJKHMJOSMKY-JKSUJKDBSA-N 2 2 371.481 2.693 10 0 FFAELP CCOC(=O)c1c[nH+]c2ccccc2c1N1CC[N@@H+](C[C@H](C)O)[C@H](CC)C1 ZINC000246687709 510617649 /nfs/dbraw/zinc/61/76/49/510617649.db2.gz YPTPJKHMJOSMKY-JKSUJKDBSA-N 2 2 371.481 2.693 10 0 FFAELP Cn1c2ccc(C[N@@H+]3CC[C@H](CNc4cccc[nH+]4)C3)cc2sc1=O ZINC000195001261 510625879 /nfs/dbraw/zinc/62/58/79/510625879.db2.gz XSNDWVCZNFGAJJ-OAHLLOKOSA-N 2 2 354.479 2.929 10 0 FFAELP Cn1c2ccc(C[N@H+]3CC[C@H](CNc4cccc[nH+]4)C3)cc2sc1=O ZINC000195001261 510625884 /nfs/dbraw/zinc/62/58/84/510625884.db2.gz XSNDWVCZNFGAJJ-OAHLLOKOSA-N 2 2 354.479 2.929 10 0 FFAELP C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CC[N@@H+]4CCCC[C@@H]4C3)cc2)C[C@@H](C)O1 ZINC000195073576 510660247 /nfs/dbraw/zinc/66/02/47/510660247.db2.gz PEELQUUOKQOCTI-DBXWQHBBSA-N 2 2 371.525 2.606 10 0 FFAELP C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CC[N@H+]4CCCC[C@@H]4C3)cc2)C[C@@H](C)O1 ZINC000195073576 510660255 /nfs/dbraw/zinc/66/02/55/510660255.db2.gz PEELQUUOKQOCTI-DBXWQHBBSA-N 2 2 371.525 2.606 10 0 FFAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC(C)(C)C)C1 ZINC000195268433 510749046 /nfs/dbraw/zinc/74/90/46/510749046.db2.gz CANDHDACAIFHBD-LSDHHAIUSA-N 2 2 352.548 2.508 10 0 FFAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)NC(C)(C)C)C1 ZINC000195268433 510749050 /nfs/dbraw/zinc/74/90/50/510749050.db2.gz CANDHDACAIFHBD-LSDHHAIUSA-N 2 2 352.548 2.508 10 0 FFAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)NC(C)(C)C)C1 ZINC000195268433 510749055 /nfs/dbraw/zinc/74/90/55/510749055.db2.gz CANDHDACAIFHBD-LSDHHAIUSA-N 2 2 352.548 2.508 10 0 FFAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)NC(C)(C)C)C1 ZINC000195268433 510749059 /nfs/dbraw/zinc/74/90/59/510749059.db2.gz CANDHDACAIFHBD-LSDHHAIUSA-N 2 2 352.548 2.508 10 0 FFAELP COc1ccc(OCC[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)cc1 ZINC000195277444 510753664 /nfs/dbraw/zinc/75/36/64/510753664.db2.gz AKWGUWKDULWYGL-LJQANCHMSA-N 2 2 355.482 2.923 10 0 FFAELP COc1ccc(OCC[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)cc1 ZINC000195277444 510753672 /nfs/dbraw/zinc/75/36/72/510753672.db2.gz AKWGUWKDULWYGL-LJQANCHMSA-N 2 2 355.482 2.923 10 0 FFAELP COc1ccc(OCC[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)cc1 ZINC000195277444 510753679 /nfs/dbraw/zinc/75/36/79/510753679.db2.gz AKWGUWKDULWYGL-LJQANCHMSA-N 2 2 355.482 2.923 10 0 FFAELP COc1ccc(OCC[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)cc1 ZINC000195277444 510753688 /nfs/dbraw/zinc/75/36/88/510753688.db2.gz AKWGUWKDULWYGL-LJQANCHMSA-N 2 2 355.482 2.923 10 0 FFAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC(=O)NCC2CCCCC2)C1 ZINC000195297915 510769160 /nfs/dbraw/zinc/76/91/60/510769160.db2.gz GLDDZMCMVKEESQ-HXUWFJFHSA-N 2 2 358.530 2.532 10 0 FFAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC(=O)NCC2CCCCC2)C1 ZINC000195297915 510769166 /nfs/dbraw/zinc/76/91/66/510769166.db2.gz GLDDZMCMVKEESQ-HXUWFJFHSA-N 2 2 358.530 2.532 10 0 FFAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CC(=O)NCC2CCCCC2)C1 ZINC000195297915 510769174 /nfs/dbraw/zinc/76/91/74/510769174.db2.gz GLDDZMCMVKEESQ-HXUWFJFHSA-N 2 2 358.530 2.532 10 0 FFAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CC(=O)NCC2CCCCC2)C1 ZINC000195297915 510769185 /nfs/dbraw/zinc/76/91/85/510769185.db2.gz GLDDZMCMVKEESQ-HXUWFJFHSA-N 2 2 358.530 2.532 10 0 FFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000247068167 510825123 /nfs/dbraw/zinc/82/51/23/510825123.db2.gz OLNBOYFFXLSRJN-RBUKOAKNSA-N 2 2 367.497 2.684 10 0 FFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000247068167 510825130 /nfs/dbraw/zinc/82/51/30/510825130.db2.gz OLNBOYFFXLSRJN-RBUKOAKNSA-N 2 2 367.497 2.684 10 0 FFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000247068167 510825134 /nfs/dbraw/zinc/82/51/34/510825134.db2.gz OLNBOYFFXLSRJN-RBUKOAKNSA-N 3 2 367.497 2.684 10 0 FFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000247068167 510825139 /nfs/dbraw/zinc/82/51/39/510825139.db2.gz OLNBOYFFXLSRJN-RBUKOAKNSA-N 3 2 367.497 2.684 10 0 FFAELP C[C@@H]1CC[N@H+](Cc2cc(=O)n3cc(Cl)ccc3n2)C[C@H]1n1cc[nH+]c1 ZINC000247297213 510855931 /nfs/dbraw/zinc/85/59/31/510855931.db2.gz FGVNHUIFZPLBMC-CZUORRHYSA-N 2 2 357.845 2.628 10 0 FFAELP C[C@@H]1CC[N@@H+](Cc2cc(=O)n3cc(Cl)ccc3n2)C[C@H]1n1cc[nH+]c1 ZINC000247297213 510855932 /nfs/dbraw/zinc/85/59/32/510855932.db2.gz FGVNHUIFZPLBMC-CZUORRHYSA-N 2 2 357.845 2.628 10 0 FFAELP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000332895204 511142346 /nfs/dbraw/zinc/14/23/46/511142346.db2.gz IDOWQPAUVYZYEG-BZUAXINKSA-N 2 2 361.534 2.523 10 0 FFAELP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000332895204 511142350 /nfs/dbraw/zinc/14/23/50/511142350.db2.gz IDOWQPAUVYZYEG-BZUAXINKSA-N 2 2 361.534 2.523 10 0 FFAELP O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)N1CCC2(CC[NH2+]C2)CC1 ZINC000333296463 511194295 /nfs/dbraw/zinc/19/42/95/511194295.db2.gz IKTTWQUSGXKCLR-UHFFFAOYSA-N 2 2 371.529 2.747 10 0 FFAELP Cn1cc[nH+]c1CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000328651866 511907406 /nfs/dbraw/zinc/90/74/06/511907406.db2.gz WCLSPODVZWJWSN-IPMKNSEASA-N 2 2 364.493 2.695 10 0 FFAELP O=C(NCCCCNc1cccc[nH+]1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000105142758 250200353 /nfs/dbraw/zinc/20/03/53/250200353.db2.gz QXIVHIYKKHXNEG-UHFFFAOYSA-N 2 2 368.485 2.637 10 0 FFAELP C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000106165017 250246603 /nfs/dbraw/zinc/24/66/03/250246603.db2.gz LBJPZELVUFROHH-ZDUSSCGKSA-N 2 2 362.424 2.980 10 0 FFAELP Cc1cc(NCC2([N@H+](C)CCO)CCCCC2)nc(-c2cccnc2)[nH+]1 ZINC000301245970 258036910 /nfs/dbraw/zinc/03/69/10/258036910.db2.gz BHKAADZLCUHNEH-UHFFFAOYSA-N 2 2 355.486 2.886 10 0 FFAELP Cc1cc(NCC2([N@@H+](C)CCO)CCCCC2)nc(-c2cccnc2)[nH+]1 ZINC000301245970 258036913 /nfs/dbraw/zinc/03/69/13/258036913.db2.gz BHKAADZLCUHNEH-UHFFFAOYSA-N 2 2 355.486 2.886 10 0 FFAELP Cn1nccc1[C@H]1[C@H](C[N@@H+](C)Cc2nc3cccnc3s2)CCC[NH+]1C ZINC000329148930 258130722 /nfs/dbraw/zinc/13/07/22/258130722.db2.gz YNTPLYLQQUDLRF-KBXCAEBGSA-N 2 2 370.526 2.940 10 0 FFAELP Cn1nccc1[C@H]1[C@H](C[NH+](C)Cc2nc3cccnc3s2)CCC[N@@H+]1C ZINC000329148930 258130723 /nfs/dbraw/zinc/13/07/23/258130723.db2.gz YNTPLYLQQUDLRF-KBXCAEBGSA-N 2 2 370.526 2.940 10 0 FFAELP Cn1nccc1[C@H]1[C@H](C[NH+](C)Cc2nc3cccnc3s2)CCC[N@H+]1C ZINC000329148930 258130724 /nfs/dbraw/zinc/13/07/24/258130724.db2.gz YNTPLYLQQUDLRF-KBXCAEBGSA-N 2 2 370.526 2.940 10 0 FFAELP CCC[NH+]1CCC(NC(=O)Nc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)CC1 ZINC000332987626 258244243 /nfs/dbraw/zinc/24/42/43/258244243.db2.gz AIWHDVMJDYKFGP-UHFFFAOYSA-N 2 2 373.501 2.576 10 0 FFAELP CCC[NH+]1CCC(NC(=O)Nc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)CC1 ZINC000332987626 258244244 /nfs/dbraw/zinc/24/42/44/258244244.db2.gz AIWHDVMJDYKFGP-UHFFFAOYSA-N 2 2 373.501 2.576 10 0 FFAELP C[C@@H]1Cc2[nH+]cn(CC(O)Cn3c[nH+]c4c3C[C@H](C)[C@H](C)C4)c2C[C@@H]1C ZINC000333263395 258258926 /nfs/dbraw/zinc/25/89/26/258258926.db2.gz BGPYCPQQJUZDNM-WCVJEAGWSA-N 2 2 356.514 2.882 10 0 FFAELP CC[N@H+](C)C[C@H]1CC[NH+](CC(=O)N2CCC[C@@H]2c2ccc(OC)cc2)C1 ZINC000072857946 507865326 /nfs/dbraw/zinc/86/53/26/507865326.db2.gz GFPWYZWBDHHIDI-YLJYHZDGSA-N 2 2 359.514 2.632 10 0 FFAELP CC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N2CCC[C@@H]2c2ccc(OC)cc2)C1 ZINC000072857946 507865328 /nfs/dbraw/zinc/86/53/28/507865328.db2.gz GFPWYZWBDHHIDI-YLJYHZDGSA-N 2 2 359.514 2.632 10 0 FFAELP CC[NH+](C)C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2c2ccc(OC)cc2)C1 ZINC000072857946 507865331 /nfs/dbraw/zinc/86/53/31/507865331.db2.gz GFPWYZWBDHHIDI-YLJYHZDGSA-N 2 2 359.514 2.632 10 0 FFAELP CC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2c2ccc(OC)cc2)C1 ZINC000072857946 507865333 /nfs/dbraw/zinc/86/53/33/507865333.db2.gz GFPWYZWBDHHIDI-YLJYHZDGSA-N 2 2 359.514 2.632 10 0 FFAELP Cn1c(CC[NH2+]C2CC[NH+](Cc3cccnc3)CC2)nc2cc(F)ccc21 ZINC000090043850 507904226 /nfs/dbraw/zinc/90/42/26/507904226.db2.gz KCGUDGLGPLVBOU-UHFFFAOYSA-N 2 2 367.472 2.904 10 0 FFAELP C[C@@H](NC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000073717012 507948415 /nfs/dbraw/zinc/94/84/15/507948415.db2.gz STSAXWMDEJPTDR-CVEARBPZSA-N 2 2 353.470 2.717 10 0 FFAELP C[C@@H](NC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000073717012 507948417 /nfs/dbraw/zinc/94/84/17/507948417.db2.gz STSAXWMDEJPTDR-CVEARBPZSA-N 2 2 353.470 2.717 10 0 FFAELP CCc1cc(N(C)CC2CC[NH+](C[C@@H](C)O)CC2)nc(-c2ccncc2)[nH+]1 ZINC000109320319 507954828 /nfs/dbraw/zinc/95/48/28/507954828.db2.gz MVODJYKUWPCQIK-MRXNPFEDSA-N 2 2 369.513 2.630 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2c(C)nn(CCC(=O)OC)c2C)C1 ZINC000122890915 508602909 /nfs/dbraw/zinc/60/29/09/508602909.db2.gz SQVPXSBPVISLRX-KRWDZBQOSA-N 2 2 373.501 2.659 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2c(C)nn(CCC(=O)OC)c2C)C1 ZINC000122890915 508602913 /nfs/dbraw/zinc/60/29/13/508602913.db2.gz SQVPXSBPVISLRX-KRWDZBQOSA-N 2 2 373.501 2.659 10 0 FFAELP C[NH+](C)C[C@H]1CN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CCO1 ZINC000118823636 508679437 /nfs/dbraw/zinc/67/94/37/508679437.db2.gz KUMFGDJFHLZLFD-SFHVURJKSA-N 2 2 356.426 2.668 10 0 FFAELP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000154087094 508714672 /nfs/dbraw/zinc/71/46/72/508714672.db2.gz QLKPKTCCRYNKKD-INIZCTEOSA-N 2 2 361.534 2.876 10 0 FFAELP CC[C@H]1CCCC[N@H+]1CCNC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000154087094 508714676 /nfs/dbraw/zinc/71/46/76/508714676.db2.gz QLKPKTCCRYNKKD-INIZCTEOSA-N 2 2 361.534 2.876 10 0 FFAELP C[C@@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000151098867 508955720 /nfs/dbraw/zinc/95/57/20/508955720.db2.gz DOXMDSAOEQPWHH-ZWKOTPCHSA-N 2 2 364.493 2.789 10 0 FFAELP C[C@@H](C(=O)N1CCc2ccccc2C1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000151098867 508955722 /nfs/dbraw/zinc/95/57/22/508955722.db2.gz DOXMDSAOEQPWHH-ZWKOTPCHSA-N 2 2 364.493 2.789 10 0 FFAELP C[C@H]1CCCN(c2cc(N3CCC[C@H](Cc4[nH+]ccn4C)C3)nc[nH+]2)C1 ZINC000132538256 509041969 /nfs/dbraw/zinc/04/19/69/509041969.db2.gz ZTFCQQWVITZCNF-DLBZAZTESA-N 2 2 354.502 2.906 10 0 FFAELP C[C@H]1CCCN(c2cc(N3CCC[C@H](Cc4[nH+]ccn4C)C3)[nH+]cn2)C1 ZINC000132538256 509041972 /nfs/dbraw/zinc/04/19/72/509041972.db2.gz ZTFCQQWVITZCNF-DLBZAZTESA-N 2 2 354.502 2.906 10 0 FFAELP C[C@H](NC(=O)N(C)CCCn1cc[nH+]c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000120956350 509097107 /nfs/dbraw/zinc/09/71/07/509097107.db2.gz NARUMPWIPSCCPT-INIZCTEOSA-N 2 2 352.442 2.862 10 0 FFAELP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)CC1 ZINC000121150368 509138883 /nfs/dbraw/zinc/13/88/83/509138883.db2.gz YRLIPJSUDRDHRJ-GOSISDBHSA-N 2 2 374.529 2.614 10 0 FFAELP CCCOc1ccc(CNC(=O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000248153244 509249398 /nfs/dbraw/zinc/24/93/98/509249398.db2.gz RAUSPURCADSSMR-ICSRJNTNSA-N 2 2 359.514 2.508 10 0 FFAELP CCCOc1ccc(CNC(=O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000248153244 509249406 /nfs/dbraw/zinc/24/94/06/509249406.db2.gz RAUSPURCADSSMR-ICSRJNTNSA-N 2 2 359.514 2.508 10 0 FFAELP CCCOc1ccc(CNC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000248153244 509249412 /nfs/dbraw/zinc/24/94/12/509249412.db2.gz RAUSPURCADSSMR-ICSRJNTNSA-N 2 2 359.514 2.508 10 0 FFAELP CCCOc1ccc(CNC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000248153244 509249417 /nfs/dbraw/zinc/24/94/17/509249417.db2.gz RAUSPURCADSSMR-ICSRJNTNSA-N 2 2 359.514 2.508 10 0 FFAELP C[C@H](C1CC1)N(C(=O)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1)C1CC1 ZINC000248649043 509416034 /nfs/dbraw/zinc/41/60/34/509416034.db2.gz KJDCFQAPUHPERF-MJGOQNOKSA-N 2 2 370.541 2.625 10 0 FFAELP C[C@H](C1CC1)N(C(=O)C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1)C1CC1 ZINC000248649043 509416043 /nfs/dbraw/zinc/41/60/43/509416043.db2.gz KJDCFQAPUHPERF-MJGOQNOKSA-N 2 2 370.541 2.625 10 0 FFAELP C[C@H](C1CC1)N(C(=O)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1)C1CC1 ZINC000248649043 509416057 /nfs/dbraw/zinc/41/60/57/509416057.db2.gz KJDCFQAPUHPERF-MJGOQNOKSA-N 2 2 370.541 2.625 10 0 FFAELP NC(=O)[C@H](Cc1ccc(Cl)cc1)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000248873470 509521875 /nfs/dbraw/zinc/52/18/75/509521875.db2.gz LACYEGGHLULICK-SNRMKQJTSA-N 2 2 361.917 2.685 10 0 FFAELP NC(=O)[C@H](Cc1ccc(Cl)cc1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000248873470 509521879 /nfs/dbraw/zinc/52/18/79/509521879.db2.gz LACYEGGHLULICK-SNRMKQJTSA-N 2 2 361.917 2.685 10 0 FFAELP NC(=O)[C@H](Cc1ccc(Cl)cc1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000248873470 509521883 /nfs/dbraw/zinc/52/18/83/509521883.db2.gz LACYEGGHLULICK-SNRMKQJTSA-N 2 2 361.917 2.685 10 0 FFAELP NC(=O)[C@H](Cc1ccc(Cl)cc1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000248873470 509521889 /nfs/dbraw/zinc/52/18/89/509521889.db2.gz LACYEGGHLULICK-SNRMKQJTSA-N 2 2 361.917 2.685 10 0 FFAELP C[C@@H](NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173455149 509609341 /nfs/dbraw/zinc/60/93/41/509609341.db2.gz QTPTVWHHVOXXSO-APWZRJJASA-N 2 2 351.454 2.589 10 0 FFAELP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)CCC2 ZINC000192721876 509612749 /nfs/dbraw/zinc/61/27/49/509612749.db2.gz OVHOZPDDHNTFTE-CVEARBPZSA-N 2 2 364.486 2.579 10 0 FFAELP CCOCC[N@@H+]1CCN(C(=O)c2oc3ccccc3c2C[NH+](C)C)C[C@@H]1C ZINC000173663168 509707042 /nfs/dbraw/zinc/70/70/42/509707042.db2.gz AUEGCDLQUDILAD-INIZCTEOSA-N 2 2 373.497 2.677 10 0 FFAELP CCOCC[N@H+]1CCN(C(=O)c2oc3ccccc3c2C[NH+](C)C)C[C@@H]1C ZINC000173663168 509707048 /nfs/dbraw/zinc/70/70/48/509707048.db2.gz AUEGCDLQUDILAD-INIZCTEOSA-N 2 2 373.497 2.677 10 0 FFAELP Cc1ccc(N2CCC(NC(=O)NCCCNc3cccc[nH+]3)CC2)[nH+]c1 ZINC000176886087 509743962 /nfs/dbraw/zinc/74/39/62/509743962.db2.gz MLRMVLPHYVTYKL-UHFFFAOYSA-N 2 2 368.485 2.555 10 0 FFAELP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c1 ZINC000245524950 509983157 /nfs/dbraw/zinc/98/31/57/509983157.db2.gz NYYMXTDSXKJNQR-TZIWHRDSSA-N 2 2 372.557 2.732 10 0 FFAELP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c1 ZINC000245524950 509983171 /nfs/dbraw/zinc/98/31/71/509983171.db2.gz NYYMXTDSXKJNQR-TZIWHRDSSA-N 2 2 372.557 2.732 10 0 FFAELP C[C@H]1CC[N@H+](CCC(=O)N2CCc3sccc3C2)C[C@H]1n1cc[nH+]c1 ZINC000245572772 510014288 /nfs/dbraw/zinc/01/42/88/510014288.db2.gz HARKVAYWSWJXQM-DOTOQJQBSA-N 2 2 358.511 2.803 10 0 FFAELP C[C@H]1CC[N@@H+](CCC(=O)N2CCc3sccc3C2)C[C@H]1n1cc[nH+]c1 ZINC000245572772 510014294 /nfs/dbraw/zinc/01/42/94/510014294.db2.gz HARKVAYWSWJXQM-DOTOQJQBSA-N 2 2 358.511 2.803 10 0 FFAELP COc1cccc(CNC(=O)C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000180671867 510046472 /nfs/dbraw/zinc/04/64/72/510046472.db2.gz ZWHUOMKFBZEBJP-INIZCTEOSA-N 2 2 364.449 2.848 10 0 FFAELP O[C@@H](C[NH2+][C@H]1CCc2ccc(Br)cc21)C[NH+]1CCCCC1 ZINC000193977663 510157446 /nfs/dbraw/zinc/15/74/46/510157446.db2.gz OTCGOCMGQXUFRH-RDJZCZTQSA-N 2 2 353.304 2.873 10 0 FFAELP C[C@@H]([NH2+][C@@H](C)C[N@H+](C)Cc1ccccc1)c1ccc(S(N)(=O)=O)cc1 ZINC000245920882 510207095 /nfs/dbraw/zinc/20/70/95/510207095.db2.gz QQVUCPHKRUEBQQ-JKSUJKDBSA-N 2 2 361.511 2.505 10 0 FFAELP C[C@@H]([NH2+][C@@H](C)C[N@@H+](C)Cc1ccccc1)c1ccc(S(N)(=O)=O)cc1 ZINC000245920882 510207103 /nfs/dbraw/zinc/20/71/03/510207103.db2.gz QQVUCPHKRUEBQQ-JKSUJKDBSA-N 2 2 361.511 2.505 10 0 FFAELP C[C@H](C(=O)Nc1cccnc1Cl)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246139220 510314925 /nfs/dbraw/zinc/31/49/25/510314925.db2.gz NNTVXXHZJNEECO-KGLIPLIRSA-N 2 2 359.861 2.891 10 0 FFAELP C[C@H](C(=O)Nc1cccnc1Cl)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246139220 510314933 /nfs/dbraw/zinc/31/49/33/510314933.db2.gz NNTVXXHZJNEECO-KGLIPLIRSA-N 2 2 359.861 2.891 10 0 FFAELP Cc1ccc(N2CCC(NC(=O)NCc3ccn4cc[nH+]c4c3)CC2)[nH+]c1 ZINC000177961324 510348180 /nfs/dbraw/zinc/34/81/80/510348180.db2.gz PGIXELAFABHKPG-UHFFFAOYSA-N 2 2 364.453 2.506 10 0 FFAELP C[C@H]1CC[N@H+](CC(=O)N(Cc2ccccc2)C2CC2)C[C@H]1n1cc[nH+]c1 ZINC000246202671 510360124 /nfs/dbraw/zinc/36/01/24/510360124.db2.gz BGVCSRNHOVIFRP-FXAWDEMLSA-N 2 2 352.482 2.957 10 0 FFAELP C[C@H]1CC[N@@H+](CC(=O)N(Cc2ccccc2)C2CC2)C[C@H]1n1cc[nH+]c1 ZINC000246202671 510360131 /nfs/dbraw/zinc/36/01/31/510360131.db2.gz BGVCSRNHOVIFRP-FXAWDEMLSA-N 2 2 352.482 2.957 10 0 FFAELP CCn1c2ccc(F)cc2nc1C[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174886420 510367479 /nfs/dbraw/zinc/36/74/79/510367479.db2.gz FIHJCPVCFFXAOS-SFHVURJKSA-N 2 2 373.520 2.797 10 0 FFAELP CCn1c2ccc(F)cc2nc1C[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174886420 510367486 /nfs/dbraw/zinc/36/74/86/510367486.db2.gz FIHJCPVCFFXAOS-SFHVURJKSA-N 2 2 373.520 2.797 10 0 FFAELP C[NH+]1CCN([C@H]2CCCC[N@H+](Cc3nccn3Cc3ccccc3)C2)CC1 ZINC000174897958 510374399 /nfs/dbraw/zinc/37/43/99/510374399.db2.gz GJFVLOAHYIZIDL-NRFANRHFSA-N 2 2 367.541 2.533 10 0 FFAELP C[NH+]1CCN([C@H]2CCCC[N@@H+](Cc3nccn3Cc3ccccc3)C2)CC1 ZINC000174897958 510374405 /nfs/dbraw/zinc/37/44/05/510374405.db2.gz GJFVLOAHYIZIDL-NRFANRHFSA-N 2 2 367.541 2.533 10 0 FFAELP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2ccc(N(C)C(C)C)nc2)nc[nH+]1 ZINC000190971846 510442090 /nfs/dbraw/zinc/44/20/90/510442090.db2.gz JLBVHQSJOARCAJ-KRWDZBQOSA-N 2 2 369.517 2.517 10 0 FFAELP C[NH+]1CCN(C(=O)CC2CC[NH+](CCC(Cl)(Cl)Cl)CC2)CC1 ZINC000184656361 510443392 /nfs/dbraw/zinc/44/33/92/510443392.db2.gz TVNIABKZYJUBGX-UHFFFAOYSA-N 2 2 370.752 2.623 10 0 FFAELP O=C1[C@H]([N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CCN1c1ccccc1F ZINC000246625806 510590317 /nfs/dbraw/zinc/59/03/17/510590317.db2.gz URIHADLWIKDXPK-MAUKXSAKSA-N 2 2 354.429 2.760 10 0 FFAELP O=C1[C@H]([N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CCN1c1ccccc1F ZINC000246625806 510590325 /nfs/dbraw/zinc/59/03/25/510590325.db2.gz URIHADLWIKDXPK-MAUKXSAKSA-N 2 2 354.429 2.760 10 0 FFAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2cnn(C(C)C)c2C)nc[nH+]1 ZINC000191357041 510621268 /nfs/dbraw/zinc/62/12/68/510621268.db2.gz MGUIMIVMFFOOOY-HOCLYGCPSA-N 2 2 357.506 2.924 10 0 FFAELP CCCCCNC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195263994 510744925 /nfs/dbraw/zinc/74/49/25/510744925.db2.gz AVLVUPWFEIUWLL-DLBZAZTESA-N 2 2 366.575 2.900 10 0 FFAELP CCCCCNC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195263994 510744929 /nfs/dbraw/zinc/74/49/29/510744929.db2.gz AVLVUPWFEIUWLL-DLBZAZTESA-N 2 2 366.575 2.900 10 0 FFAELP CCCCCNC(=O)[C@H](C)[NH+]1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195263994 510744933 /nfs/dbraw/zinc/74/49/33/510744933.db2.gz AVLVUPWFEIUWLL-DLBZAZTESA-N 2 2 366.575 2.900 10 0 FFAELP CCCCCNC(=O)[C@H](C)[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195263994 510744939 /nfs/dbraw/zinc/74/49/39/510744939.db2.gz AVLVUPWFEIUWLL-DLBZAZTESA-N 2 2 366.575 2.900 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000178748057 510752010 /nfs/dbraw/zinc/75/20/10/510752010.db2.gz SZVKJVRMISUNAV-CYBMUJFWSA-N 2 2 369.494 2.643 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000178748057 510752021 /nfs/dbraw/zinc/75/20/21/510752021.db2.gz SZVKJVRMISUNAV-CYBMUJFWSA-N 2 2 369.494 2.643 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCC[NH+]1CCC[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178754183 510755524 /nfs/dbraw/zinc/75/55/24/510755524.db2.gz FGTCQCMQDYTELL-NHCUHLMSSA-N 4 2 370.545 2.716 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCC[NH+]1CCC[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178754183 510755534 /nfs/dbraw/zinc/75/55/34/510755534.db2.gz FGTCQCMQDYTELL-NHCUHLMSSA-N 4 2 370.545 2.716 10 0 FFAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+]([C@@H]2CCN(c3ccccc3)C2=O)C1 ZINC000195293276 510765143 /nfs/dbraw/zinc/76/51/43/510765143.db2.gz CHSNNUUQDVQTKA-TZIWHRDSSA-N 2 2 364.493 2.641 10 0 FFAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+]([C@@H]2CCN(c3ccccc3)C2=O)C1 ZINC000195293276 510765148 /nfs/dbraw/zinc/76/51/48/510765148.db2.gz CHSNNUUQDVQTKA-TZIWHRDSSA-N 2 2 364.493 2.641 10 0 FFAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+]([C@@H]2CCN(c3ccccc3)C2=O)C1 ZINC000195293276 510765155 /nfs/dbraw/zinc/76/51/55/510765155.db2.gz CHSNNUUQDVQTKA-TZIWHRDSSA-N 2 2 364.493 2.641 10 0 FFAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+]([C@@H]2CCN(c3ccccc3)C2=O)C1 ZINC000195293276 510765160 /nfs/dbraw/zinc/76/51/60/510765160.db2.gz CHSNNUUQDVQTKA-TZIWHRDSSA-N 2 2 364.493 2.641 10 0 FFAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2ccc(NC(C)=O)cc2)nc[nH+]1 ZINC000182131116 510771953 /nfs/dbraw/zinc/77/19/53/510771953.db2.gz NKKSMKMVKAFMAC-RDTXWAMCSA-N 2 2 368.485 2.796 10 0 FFAELP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000247494919 510863216 /nfs/dbraw/zinc/86/32/16/510863216.db2.gz XCZAGGMVLAFGAC-TXPKVOOTSA-N 2 2 355.486 2.961 10 0 FFAELP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000247494919 510863217 /nfs/dbraw/zinc/86/32/17/510863217.db2.gz XCZAGGMVLAFGAC-TXPKVOOTSA-N 2 2 355.486 2.961 10 0 FFAELP CN(C)c1[nH+]cccc1O[C@@H]1CC[N@@H+]([C@@H]2CCc3ccccc3NC2=O)C1 ZINC000334059413 511443309 /nfs/dbraw/zinc/44/33/09/511443309.db2.gz XWCCJHGRCGVRTD-SJLPKXTDSA-N 2 2 366.465 2.554 10 0 FFAELP CN(C)c1[nH+]cccc1O[C@@H]1CC[N@H+]([C@@H]2CCc3ccccc3NC2=O)C1 ZINC000334059413 511443311 /nfs/dbraw/zinc/44/33/11/511443311.db2.gz XWCCJHGRCGVRTD-SJLPKXTDSA-N 2 2 366.465 2.554 10 0 FFAELP Cc1ccc2nc(C[NH2+]C[C@@H]3CCC[N@H+](C)[C@H]3c3ccnn3C)cn2c1 ZINC000284459428 511730943 /nfs/dbraw/zinc/73/09/43/511730943.db2.gz HHNZHQKKUFHVAX-OXJNMPFZSA-N 2 2 352.486 2.549 10 0 FFAELP Cc1ccc2nc(C[NH2+]C[C@@H]3CCC[N@@H+](C)[C@H]3c3ccnn3C)cn2c1 ZINC000284459428 511730950 /nfs/dbraw/zinc/73/09/50/511730950.db2.gz HHNZHQKKUFHVAX-OXJNMPFZSA-N 2 2 352.486 2.549 10 0 FFAELP CCn1nc(C)c([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1C ZINC000484135349 516302363 /nfs/dbraw/zinc/30/23/63/516302363.db2.gz RQMQWNHGDDXEFE-HRAATJIYSA-N 2 2 356.514 2.807 10 0 FFAELP CCn1nc(C)c([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000484135349 516302367 /nfs/dbraw/zinc/30/23/67/516302367.db2.gz RQMQWNHGDDXEFE-HRAATJIYSA-N 2 2 356.514 2.807 10 0 FFAELP Cc1nc(C)c(C(=O)N2CC([N@@H+](CC(C)C)C3CC[NH+](C)CC3)C2)s1 ZINC000169786524 728982732 /nfs/dbraw/zinc/98/27/32/728982732.db2.gz FFEIQADHIFFYBR-UHFFFAOYSA-N 2 2 364.559 2.637 10 0 FFAELP Cc1nc(C)c(C(=O)N2CC([N@H+](CC(C)C)C3CC[NH+](C)CC3)C2)s1 ZINC000169786524 728982736 /nfs/dbraw/zinc/98/27/36/728982736.db2.gz FFEIQADHIFFYBR-UHFFFAOYSA-N 2 2 364.559 2.637 10 0 FFAELP Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)c1O ZINC000187050054 729372011 /nfs/dbraw/zinc/37/20/11/729372011.db2.gz OOKLHIRCKMHZMJ-ZFWWWQNUSA-N 2 2 371.319 2.961 10 0 FFAELP C[NH+]1CCN(Nc2[nH+]cnc(Oc3cccc4ccccc43)c2N)CC1 ZINC000040683133 205076396 /nfs/dbraw/zinc/07/63/96/205076396.db2.gz YYHIRSJMDSFFCT-UHFFFAOYSA-N 2 2 350.426 2.579 10 0 FFAELP CC(=O)c1cccc(NC(=O)[C@H](C)[NH+]2CCC(Cc3[nH+]ccn3C)CC2)c1 ZINC000106166604 250245452 /nfs/dbraw/zinc/24/54/52/250245452.db2.gz XSNKYTCQIMWCJP-HNNXBMFYSA-N 2 2 368.481 2.904 10 0 FFAELP COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(Cc3[nH+]ccn3C)CC2)cc1 ZINC000106164972 250245475 /nfs/dbraw/zinc/24/54/75/250245475.db2.gz FUYVDGNIHFCECA-HNNXBMFYSA-N 2 2 356.470 2.710 10 0 FFAELP Cc1ccc(CN(C(=O)C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)C2CC2)o1 ZINC000106163532 250246588 /nfs/dbraw/zinc/24/65/88/250246588.db2.gz USIFUDXBRSYHJH-UHFFFAOYSA-N 2 2 370.497 2.767 10 0 FFAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](CCSc3ccccc3)CC2)C1 ZINC000117880142 250366518 /nfs/dbraw/zinc/36/65/18/250366518.db2.gz BDDAXCJSBTUJQG-IBGZPJMESA-N 2 2 363.571 2.506 10 0 FFAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](CCSc3ccccc3)CC2)C1 ZINC000117880142 250366524 /nfs/dbraw/zinc/36/65/24/250366524.db2.gz BDDAXCJSBTUJQG-IBGZPJMESA-N 2 2 363.571 2.506 10 0 FFAELP COc1ccc(C[NH+]2CCC(Nc3nc[nH+]c(N)c3Cl)CC2)cc1F ZINC000302912641 258114644 /nfs/dbraw/zinc/11/46/44/258114644.db2.gz UFCMGFHQVKFQNJ-UHFFFAOYSA-N 2 2 365.840 2.936 10 0 FFAELP C[C@@H]1CCCN(c2cc(N3CCC[C@@H](Cc4[nH+]ccn4C)C3)nc[nH+]2)C1 ZINC000301735621 258065433 /nfs/dbraw/zinc/06/54/33/258065433.db2.gz ZTFCQQWVITZCNF-SJORKVTESA-N 2 2 354.502 2.906 10 0 FFAELP C[C@@H]1CCCN(c2cc(N3CCC[C@@H](Cc4[nH+]ccn4C)C3)[nH+]cn2)C1 ZINC000301735621 258065434 /nfs/dbraw/zinc/06/54/34/258065434.db2.gz ZTFCQQWVITZCNF-SJORKVTESA-N 2 2 354.502 2.906 10 0 FFAELP Cc1csc(N2CCC([NH2+][C@H]3CCO[C@H](c4c[nH+]cn4C)C3)CC2)n1 ZINC000329833187 258148408 /nfs/dbraw/zinc/14/84/08/258148408.db2.gz UDYIDPVJLZHJBO-RDJZCZTQSA-N 2 2 361.515 2.664 10 0 FFAELP Cc1cn2c([nH+]1)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1)CCC2 ZINC000332696243 258240628 /nfs/dbraw/zinc/24/06/28/258240628.db2.gz YDINDTYBJXBXKO-MOPGFXCFSA-N 2 2 352.482 2.850 10 0 FFAELP Cc1cn2c([nH+]1)[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)CCC2 ZINC000332696243 258240629 /nfs/dbraw/zinc/24/06/29/258240629.db2.gz YDINDTYBJXBXKO-MOPGFXCFSA-N 2 2 352.482 2.850 10 0 FFAELP Nc1c(Nc2cc[nH+]cc2)nc[nH+]c1N1CCN(c2ccc(F)cc2)CC1 ZINC000040687668 136119852 /nfs/dbraw/zinc/11/98/52/136119852.db2.gz HBQRYBRQICNXSP-UHFFFAOYSA-N 2 2 365.416 2.663 10 0 FFAELP CC[NH+](CC)Cc1ccccc1CNc1cc(N2CCC[C@@H]2CO)nc[nH+]1 ZINC000110123745 508008674 /nfs/dbraw/zinc/00/86/74/508008674.db2.gz UICXFRJVGLPUSH-LJQANCHMSA-N 2 2 369.513 2.892 10 0 FFAELP CC[NH+](CC)Cc1ccccc1CNc1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000110123745 508008676 /nfs/dbraw/zinc/00/86/76/508008676.db2.gz UICXFRJVGLPUSH-LJQANCHMSA-N 2 2 369.513 2.892 10 0 FFAELP C[C@H](NC(=O)N1CC[NH+](CC2CC2)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000074876096 508066895 /nfs/dbraw/zinc/06/68/95/508066895.db2.gz JUJVZTDSEMMVAG-INIZCTEOSA-N 2 2 353.470 2.671 10 0 FFAELP O=C(NCc1[nH+]ccn1CCc1ccccc1)N1CCC[N@@H+](C2CC2)CC1 ZINC000083751423 508257951 /nfs/dbraw/zinc/25/79/51/508257951.db2.gz CUURNPPGLZENPG-UHFFFAOYSA-N 2 2 367.497 2.506 10 0 FFAELP O=C(NCc1[nH+]ccn1CCc1ccccc1)N1CCC[N@H+](C2CC2)CC1 ZINC000083751423 508257952 /nfs/dbraw/zinc/25/79/52/508257952.db2.gz CUURNPPGLZENPG-UHFFFAOYSA-N 2 2 367.497 2.506 10 0 FFAELP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105077365 508359788 /nfs/dbraw/zinc/35/97/88/508359788.db2.gz QXPGYFTWHJUFJU-MSOLQXFVSA-N 2 2 360.502 2.686 10 0 FFAELP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000105077365 508359790 /nfs/dbraw/zinc/35/97/90/508359790.db2.gz QXPGYFTWHJUFJU-MSOLQXFVSA-N 2 2 360.502 2.686 10 0 FFAELP Cc1ccc(C)c(OCC[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1 ZINC000106130785 508396015 /nfs/dbraw/zinc/39/60/15/508396015.db2.gz XZQRAEHPWAJTKX-UHFFFAOYSA-N 2 2 356.514 2.975 10 0 FFAELP Cc1ccc(C)c(OCC[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1 ZINC000106130785 508396017 /nfs/dbraw/zinc/39/60/17/508396017.db2.gz XZQRAEHPWAJTKX-UHFFFAOYSA-N 2 2 356.514 2.975 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)NCCc2ccccc2C)C1 ZINC000106215834 508397908 /nfs/dbraw/zinc/39/79/08/508397908.db2.gz UZKFUCDSKCAFRN-LJQANCHMSA-N 2 2 354.498 2.750 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)NCCc2ccccc2C)C1 ZINC000106215834 508397909 /nfs/dbraw/zinc/39/79/09/508397909.db2.gz UZKFUCDSKCAFRN-LJQANCHMSA-N 2 2 354.498 2.750 10 0 FFAELP O=C(/C=C/c1ccc(-n2cc[nH+]c2)cc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000127318560 508432245 /nfs/dbraw/zinc/43/22/45/508432245.db2.gz FICNBUWNTATDCK-MTCRFPMVSA-N 2 2 350.466 2.830 10 0 FFAELP Cc1ccc(N2CCC(NC(=O)[C@H](Cc3ccccc3)[NH+](C)C)CC2)[nH+]c1 ZINC000157746448 508605916 /nfs/dbraw/zinc/60/59/16/508605916.db2.gz PNYDWXZGZHJDAN-FQEVSTJZSA-N 2 2 366.509 2.648 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NC(=O)Nc2ccccc2)C1 ZINC000155224959 508952390 /nfs/dbraw/zinc/95/23/90/508952390.db2.gz GYSLZWPPSVIQKE-RDJZCZTQSA-N 2 2 369.469 2.819 10 0 FFAELP CCOc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)cc1OCC ZINC000151341792 509001863 /nfs/dbraw/zinc/00/18/63/509001863.db2.gz XZPTVIOXYBVDJZ-AEFFLSMTSA-N 2 2 350.503 2.981 10 0 FFAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2nc3ccccc3o2)nc[nH+]1 ZINC000182452004 509246295 /nfs/dbraw/zinc/24/62/95/509246295.db2.gz YOPFBJMTXJYCGW-KGLIPLIRSA-N 2 2 352.442 2.979 10 0 FFAELP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC=C(c3ccccc3)CC2)CC1 ZINC000179300711 509364100 /nfs/dbraw/zinc/36/41/00/509364100.db2.gz JMSMCIJNLUHRMH-UHFFFAOYSA-N 2 2 356.514 2.511 10 0 FFAELP CCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000248660777 509424369 /nfs/dbraw/zinc/42/43/69/509424369.db2.gz WJOZDOVWBKASDA-CVEARBPZSA-N 2 2 352.548 2.510 10 0 FFAELP CCCCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000248660777 509424376 /nfs/dbraw/zinc/42/43/76/509424376.db2.gz WJOZDOVWBKASDA-CVEARBPZSA-N 2 2 352.548 2.510 10 0 FFAELP CCCCNC(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000248660777 509424380 /nfs/dbraw/zinc/42/43/80/509424380.db2.gz WJOZDOVWBKASDA-CVEARBPZSA-N 2 2 352.548 2.510 10 0 FFAELP CCCCNC(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000248660777 509424390 /nfs/dbraw/zinc/42/43/90/509424390.db2.gz WJOZDOVWBKASDA-CVEARBPZSA-N 2 2 352.548 2.510 10 0 FFAELP NC(=O)[C@H](Cc1ccc(Cl)cc1)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000248873465 509522187 /nfs/dbraw/zinc/52/21/87/509522187.db2.gz LACYEGGHLULICK-IPELMVKDSA-N 2 2 361.917 2.685 10 0 FFAELP NC(=O)[C@H](Cc1ccc(Cl)cc1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000248873465 509522190 /nfs/dbraw/zinc/52/21/90/509522190.db2.gz LACYEGGHLULICK-IPELMVKDSA-N 2 2 361.917 2.685 10 0 FFAELP NC(=O)[C@H](Cc1ccc(Cl)cc1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000248873465 509522192 /nfs/dbraw/zinc/52/21/92/509522192.db2.gz LACYEGGHLULICK-IPELMVKDSA-N 2 2 361.917 2.685 10 0 FFAELP NC(=O)[C@H](Cc1ccc(Cl)cc1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000248873465 509522196 /nfs/dbraw/zinc/52/21/96/509522196.db2.gz LACYEGGHLULICK-IPELMVKDSA-N 2 2 361.917 2.685 10 0 FFAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1CCC2(CC1)OCCO2 ZINC000249111404 509607381 /nfs/dbraw/zinc/60/73/81/509607381.db2.gz VWEALORBHWHBKC-YLJYHZDGSA-N 2 2 359.514 2.815 10 0 FFAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1CCC2(CC1)OCCO2 ZINC000249111404 509607385 /nfs/dbraw/zinc/60/73/85/509607385.db2.gz VWEALORBHWHBKC-YLJYHZDGSA-N 2 2 359.514 2.815 10 0 FFAELP C[C@H]1CCCN(c2cc(N3CCC(OCCC[NH+](C)C)CC3)[nH+]cn2)C1 ZINC000176814716 509705295 /nfs/dbraw/zinc/70/52/95/509705295.db2.gz YQDVZADQEHXZIM-KRWDZBQOSA-N 2 2 361.534 2.650 10 0 FFAELP C[C@H]1CCCN(c2cc(N3CCC(OCCC[NH+](C)C)CC3)nc[nH+]2)C1 ZINC000176814716 509705302 /nfs/dbraw/zinc/70/53/02/509705302.db2.gz YQDVZADQEHXZIM-KRWDZBQOSA-N 2 2 361.534 2.650 10 0 FFAELP C[N@@H+](Cc1cccc2[nH+]ccn21)C[C@H](c1cccs1)N1CCOCC1 ZINC000180114728 509760247 /nfs/dbraw/zinc/76/02/47/509760247.db2.gz YJZCNHNDTJQDDT-QGZVFWFLSA-N 2 2 356.495 2.901 10 0 FFAELP C[N@H+](Cc1cccc2[nH+]ccn21)C[C@H](c1cccs1)N1CCOCC1 ZINC000180114728 509760253 /nfs/dbraw/zinc/76/02/53/509760253.db2.gz YJZCNHNDTJQDDT-QGZVFWFLSA-N 2 2 356.495 2.901 10 0 FFAELP Cc1c[nH+]c(CC[C@H]2CCCN2C(=O)c2ccc(Cn3cc[nH+]c3)o2)n1C ZINC000257178000 509947046 /nfs/dbraw/zinc/94/70/46/509947046.db2.gz YSQBTKUULBQILL-MRXNPFEDSA-N 2 2 367.453 2.804 10 0 FFAELP OCC[NH+]1CCC([C@@H]2c3nccn3CCC[N@H+]2CCc2ccccc2)CC1 ZINC000257193153 509952779 /nfs/dbraw/zinc/95/27/79/509952779.db2.gz XJOFUIXGEXDILB-OAQYLSRUSA-N 2 2 368.525 2.577 10 0 FFAELP OCC[NH+]1CCC([C@@H]2c3nccn3CCC[N@@H+]2CCc2ccccc2)CC1 ZINC000257193153 509952788 /nfs/dbraw/zinc/95/27/88/509952788.db2.gz XJOFUIXGEXDILB-OAQYLSRUSA-N 2 2 368.525 2.577 10 0 FFAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2ccccc2N(C)C)nc[nH+]1 ZINC000180565919 509986450 /nfs/dbraw/zinc/98/64/50/509986450.db2.gz ICANXVYEIVRNSC-JKSUJKDBSA-N 2 2 354.502 2.904 10 0 FFAELP Cc1ccc([C@H](C)[NH2+]CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)o1 ZINC000171234881 510026016 /nfs/dbraw/zinc/02/60/16/510026016.db2.gz MVLJLGGRUGAXLA-SFHVURJKSA-N 2 2 355.482 2.891 10 0 FFAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCC[C@@H]3c3cnn(C)c3)c2cc1C ZINC000171411156 510142618 /nfs/dbraw/zinc/14/26/18/510142618.db2.gz HWILLNZNAGOVQG-IEBWSBKVSA-N 2 2 353.470 2.585 10 0 FFAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCC[C@@H]3c3cnn(C)c3)c2cc1C ZINC000171411156 510142619 /nfs/dbraw/zinc/14/26/19/510142619.db2.gz HWILLNZNAGOVQG-IEBWSBKVSA-N 2 2 353.470 2.585 10 0 FFAELP C[NH+](C)[C@H](CNC(=O)N1CCCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000184247954 510217328 /nfs/dbraw/zinc/21/73/28/510217328.db2.gz IGPGCXOULMZAMS-LJQANCHMSA-N 2 2 367.497 2.606 10 0 FFAELP C[C@@H]1CCCC[C@H]1OCCNC(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171641457 510269221 /nfs/dbraw/zinc/26/92/21/510269221.db2.gz NZPAICFRNNPMHJ-GUDVDZBRSA-N 2 2 374.529 2.527 10 0 FFAELP C[C@@H]1CCCC[C@H]1OCCNC(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171641457 510269230 /nfs/dbraw/zinc/26/92/30/510269230.db2.gz NZPAICFRNNPMHJ-GUDVDZBRSA-N 2 2 374.529 2.527 10 0 FFAELP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)CC[N@@H+]1Cc1ccccc1 ZINC000246102223 510292621 /nfs/dbraw/zinc/29/26/21/510292621.db2.gz YJCUCVHUIXDZSI-VBSBHUPXSA-N 2 2 364.555 2.985 10 0 FFAELP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)CC[N@H+]1Cc1ccccc1 ZINC000246102223 510292627 /nfs/dbraw/zinc/29/26/27/510292627.db2.gz YJCUCVHUIXDZSI-VBSBHUPXSA-N 2 2 364.555 2.985 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000178303090 510536138 /nfs/dbraw/zinc/53/61/38/510536138.db2.gz FRWXSCNCZKQENX-OAHLLOKOSA-N 2 2 369.437 2.852 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000178303090 510536146 /nfs/dbraw/zinc/53/61/46/510536146.db2.gz FRWXSCNCZKQENX-OAHLLOKOSA-N 2 2 369.437 2.852 10 0 FFAELP COc1ccc(-c2nc(C[N@@H+]3CCC[C@H]3Cn3cc[nH+]c3C)no2)cc1 ZINC000178329022 510549481 /nfs/dbraw/zinc/54/94/81/510549481.db2.gz FYKUFHYAUZRRKO-INIZCTEOSA-N 2 2 353.426 2.915 10 0 FFAELP COc1ccc(-c2nc(C[N@H+]3CCC[C@H]3Cn3cc[nH+]c3C)no2)cc1 ZINC000178329022 510549484 /nfs/dbraw/zinc/54/94/84/510549484.db2.gz FYKUFHYAUZRRKO-INIZCTEOSA-N 2 2 353.426 2.915 10 0 FFAELP CN(C(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)c1nc2ccccc2s1 ZINC000246555954 510551961 /nfs/dbraw/zinc/55/19/61/510551961.db2.gz BDTDALWCBBFKAL-GDBMZVCRSA-N 2 2 358.511 2.675 10 0 FFAELP CN(C(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)c1nc2ccccc2s1 ZINC000246555954 510551966 /nfs/dbraw/zinc/55/19/66/510551966.db2.gz BDTDALWCBBFKAL-GDBMZVCRSA-N 2 2 358.511 2.675 10 0 FFAELP CN(C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)c1nc2ccccc2s1 ZINC000246555954 510551970 /nfs/dbraw/zinc/55/19/70/510551970.db2.gz BDTDALWCBBFKAL-GDBMZVCRSA-N 2 2 358.511 2.675 10 0 FFAELP CN(C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)c1nc2ccccc2s1 ZINC000246555954 510551977 /nfs/dbraw/zinc/55/19/77/510551977.db2.gz BDTDALWCBBFKAL-GDBMZVCRSA-N 2 2 358.511 2.675 10 0 FFAELP FC(F)(F)c1nnc(N2CCC[N@H+](CCC[NH+]3CCCC3)CC2)s1 ZINC000191316679 510602309 /nfs/dbraw/zinc/60/23/09/510602309.db2.gz OCXTVSJJVWZOAF-UHFFFAOYSA-N 2 2 363.453 2.555 10 0 FFAELP FC(F)(F)c1nnc(N2CCC[N@@H+](CCC[NH+]3CCCC3)CC2)s1 ZINC000191316679 510602312 /nfs/dbraw/zinc/60/23/12/510602312.db2.gz OCXTVSJJVWZOAF-UHFFFAOYSA-N 2 2 363.453 2.555 10 0 FFAELP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)C1 ZINC000246688962 510618062 /nfs/dbraw/zinc/61/80/62/510618062.db2.gz RJWADBAYIOFZIG-KSZLIROESA-N 2 2 361.534 2.814 10 0 FFAELP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)C1 ZINC000246688962 510618068 /nfs/dbraw/zinc/61/80/68/510618068.db2.gz RJWADBAYIOFZIG-KSZLIROESA-N 2 2 361.534 2.814 10 0 FFAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2cnn(C(C)C)c2C)nc[nH+]1 ZINC000191357073 510621104 /nfs/dbraw/zinc/62/11/04/510621104.db2.gz MGUIMIVMFFOOOY-GOEBONIOSA-N 2 2 357.506 2.924 10 0 FFAELP O=C1O[C@H](C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CN1c1ccccc1 ZINC000246742053 510647270 /nfs/dbraw/zinc/64/72/70/510647270.db2.gz MTUDLHKDPQAVGT-FUHWJXTLSA-N 2 2 352.438 2.841 10 0 FFAELP O=C1O[C@H](C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CN1c1ccccc1 ZINC000246742053 510647275 /nfs/dbraw/zinc/64/72/75/510647275.db2.gz MTUDLHKDPQAVGT-FUHWJXTLSA-N 2 2 352.438 2.841 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCC[NH+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178754171 510756708 /nfs/dbraw/zinc/75/67/08/510756708.db2.gz FGTCQCMQDYTELL-OYRHEFFESA-N 4 2 370.545 2.716 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCC[NH+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178754171 510756712 /nfs/dbraw/zinc/75/67/12/510756712.db2.gz FGTCQCMQDYTELL-OYRHEFFESA-N 4 2 370.545 2.716 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCC[NH+]1CCC[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178754171 510756714 /nfs/dbraw/zinc/75/67/14/510756714.db2.gz FGTCQCMQDYTELL-OYRHEFFESA-N 4 2 370.545 2.716 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCC[NH+]1CCC[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178754171 510756716 /nfs/dbraw/zinc/75/67/16/510756716.db2.gz FGTCQCMQDYTELL-OYRHEFFESA-N 4 2 370.545 2.716 10 0 FFAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2ccc(NC(C)=O)cc2)nc[nH+]1 ZINC000182131077 510771529 /nfs/dbraw/zinc/77/15/29/510771529.db2.gz NKKSMKMVKAFMAC-KDOFPFPSSA-N 2 2 368.485 2.796 10 0 FFAELP Cn1ncc2c1nc[nH+]c2N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000247065573 510824360 /nfs/dbraw/zinc/82/43/60/510824360.db2.gz PVILXWOLSUFBGI-PKOBYXMFSA-N 2 2 362.481 2.854 10 0 FFAELP Cn1ncc2c1nc[nH+]c2N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000247065573 510824365 /nfs/dbraw/zinc/82/43/65/510824365.db2.gz PVILXWOLSUFBGI-PKOBYXMFSA-N 2 2 362.481 2.854 10 0 FFAELP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCc2[nH+]ccn2CCc2ccccc2)C1 ZINC000247290809 510855691 /nfs/dbraw/zinc/85/56/91/510855691.db2.gz KUSYGMMDPGAPOY-IEBWSBKVSA-N 2 2 369.513 2.654 10 0 FFAELP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NCc2[nH+]ccn2CCc2ccccc2)C1 ZINC000247290809 510855692 /nfs/dbraw/zinc/85/56/92/510855692.db2.gz KUSYGMMDPGAPOY-IEBWSBKVSA-N 2 2 369.513 2.654 10 0 FFAELP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2ccnc(N(C)C)c2)[C@@H]1c1cnn(C)c1 ZINC000328651008 511907162 /nfs/dbraw/zinc/90/71/62/511907162.db2.gz VSWMRBSIGLEWSP-GHTZIAJQSA-N 2 2 370.545 2.786 10 0 FFAELP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2ccnc(N(C)C)c2)[C@@H]1c1cnn(C)c1 ZINC000328651008 511907168 /nfs/dbraw/zinc/90/71/68/511907168.db2.gz VSWMRBSIGLEWSP-GHTZIAJQSA-N 2 2 370.545 2.786 10 0 FFAELP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2ccnc(N(C)C)c2)[C@@H]1c1cnn(C)c1 ZINC000328651008 511907173 /nfs/dbraw/zinc/90/71/73/511907173.db2.gz VSWMRBSIGLEWSP-GHTZIAJQSA-N 2 2 370.545 2.786 10 0 FFAELP Cn1nccc1[C@H]1[C@H](C[N@H+](C)Cc2cnn3ccccc23)CCC[NH+]1C ZINC000497050616 516293288 /nfs/dbraw/zinc/29/32/88/516293288.db2.gz UEMUXPRZIFMYOC-OXJNMPFZSA-N 2 2 352.486 2.583 10 0 FFAELP Cn1nccc1[C@H]1[C@H](C[N@@H+](C)Cc2cnn3ccccc23)CCC[NH+]1C ZINC000497050616 516293295 /nfs/dbraw/zinc/29/32/95/516293295.db2.gz UEMUXPRZIFMYOC-OXJNMPFZSA-N 2 2 352.486 2.583 10 0 FFAELP Cn1nccc1[C@H]1[C@H](C[NH+](C)Cc2cnn3ccccc23)CCC[N@@H+]1C ZINC000497050616 516293299 /nfs/dbraw/zinc/29/32/99/516293299.db2.gz UEMUXPRZIFMYOC-OXJNMPFZSA-N 2 2 352.486 2.583 10 0 FFAELP Cn1nccc1[C@H]1[C@H](C[NH+](C)Cc2cnn3ccccc23)CCC[N@H+]1C ZINC000497050616 516293304 /nfs/dbraw/zinc/29/33/04/516293304.db2.gz UEMUXPRZIFMYOC-OXJNMPFZSA-N 2 2 352.486 2.583 10 0 FFAELP CC(C)(C)S(=O)(=O)CC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000311207867 729742620 /nfs/dbraw/zinc/74/26/20/729742620.db2.gz KBQOSWPWTUHXNW-CEXWTWQISA-N 2 2 364.555 2.700 10 0 FFAELP CC(C)(C)S(=O)(=O)CC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000311207867 729742621 /nfs/dbraw/zinc/74/26/21/729742621.db2.gz KBQOSWPWTUHXNW-CEXWTWQISA-N 2 2 364.555 2.700 10 0 FFAELP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(CSC(F)F)o3)C2)CC1 ZINC000093133245 250016978 /nfs/dbraw/zinc/01/69/78/250016978.db2.gz SMGDRPOVVXJTIN-AWEZNQCLSA-N 2 2 359.486 2.947 10 0 FFAELP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(CSC(F)F)o3)C2)CC1 ZINC000093133245 250016983 /nfs/dbraw/zinc/01/69/83/250016983.db2.gz SMGDRPOVVXJTIN-AWEZNQCLSA-N 2 2 359.486 2.947 10 0 FFAELP Cc1ccc([C@H]2CCCC[N@H+]2Cc2cnc(N3CC[NH+](C)CC3)nc2)o1 ZINC000093443942 250036592 /nfs/dbraw/zinc/03/65/92/250036592.db2.gz TXSWMFHZKHNTCH-GOSISDBHSA-N 2 2 355.486 2.857 10 0 FFAELP Cc1ccc([C@H]2CCCC[N@@H+]2Cc2cnc(N3CC[NH+](C)CC3)nc2)o1 ZINC000093443942 250036597 /nfs/dbraw/zinc/03/65/97/250036597.db2.gz TXSWMFHZKHNTCH-GOSISDBHSA-N 2 2 355.486 2.857 10 0 FFAELP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000106540143 250276176 /nfs/dbraw/zinc/27/61/76/250276176.db2.gz XDALFNAEENLKNN-QZTJIDSGSA-N 2 2 355.486 2.819 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCc2nc3ccccc3c(=O)[nH]2)C1 ZINC000106212321 250255495 /nfs/dbraw/zinc/25/54/95/250255495.db2.gz RCDRGMZUNYDKSQ-OAHLLOKOSA-N 2 2 351.454 2.562 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCc2nc3ccccc3c(=O)[nH]2)C1 ZINC000106212321 250255498 /nfs/dbraw/zinc/25/54/98/250255498.db2.gz RCDRGMZUNYDKSQ-OAHLLOKOSA-N 2 2 351.454 2.562 10 0 FFAELP C[C@@H](C[NH+]1CCCCC1)NC(=O)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000333082756 258248881 /nfs/dbraw/zinc/24/88/81/258248881.db2.gz XLVHDVTWNCVAIH-HNNXBMFYSA-N 2 2 373.501 2.576 10 0 FFAELP C[C@@H](C[NH+]1CCCCC1)NC(=O)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000333082756 258248882 /nfs/dbraw/zinc/24/88/82/258248882.db2.gz XLVHDVTWNCVAIH-HNNXBMFYSA-N 2 2 373.501 2.576 10 0 FFAELP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC[NH2+]C[C@](C)(F)C3)n2)C1 ZINC000333131860 258251472 /nfs/dbraw/zinc/25/14/72/258251472.db2.gz JRALGRZKRHKCIG-GUYCJALGSA-N 2 2 369.510 2.540 10 0 FFAELP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC[NH2+]C[C@](C)(F)C3)n2)C1 ZINC000333131860 258251473 /nfs/dbraw/zinc/25/14/73/258251473.db2.gz JRALGRZKRHKCIG-GUYCJALGSA-N 2 2 369.510 2.540 10 0 FFAELP COc1ccc([C@@H](O)Cn2c3ccccc3n(CCC[NH+](C)C)c2=[NH2+])cc1 ZINC000000789406 506231860 /nfs/dbraw/zinc/23/18/60/506231860.db2.gz ZXWUOZBMEJIDQG-FQEVSTJZSA-N 2 2 368.481 2.616 10 0 FFAELP Cn1cc[nH+]c1[C@@H](NC(=O)NCCCC[NH+]1CCCC1)c1cccc(F)c1 ZINC000045265195 506941758 /nfs/dbraw/zinc/94/17/58/506941758.db2.gz LTHXNEFHNZVGAG-SFHVURJKSA-N 2 2 373.476 2.824 10 0 FFAELP CC[N@@H+]1CCC[C@@H](NC(=O)NCc2ccc(N3CCC(C)CC3)[nH+]c2)C1 ZINC000057821154 507335473 /nfs/dbraw/zinc/33/54/73/507335473.db2.gz UVNNSJZYNSJTQU-GOSISDBHSA-N 2 2 359.518 2.601 10 0 FFAELP CC[N@H+]1CCC[C@@H](NC(=O)NCc2ccc(N3CCC(C)CC3)[nH+]c2)C1 ZINC000057821154 507335480 /nfs/dbraw/zinc/33/54/80/507335480.db2.gz UVNNSJZYNSJTQU-GOSISDBHSA-N 2 2 359.518 2.601 10 0 FFAELP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2ccc(OC(F)F)cc2)nc[nH+]1 ZINC000109069994 507935800 /nfs/dbraw/zinc/93/58/00/507935800.db2.gz OSIFFCPXFICDFM-CQSZACIVSA-N 2 2 363.412 2.878 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000109677411 507979890 /nfs/dbraw/zinc/97/98/90/507979890.db2.gz JHNPHYOUMWTAGW-MRXNPFEDSA-N 2 2 350.426 2.504 10 0 FFAELP Cc1ccc(S(=O)(=O)CCC[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000091580195 507993964 /nfs/dbraw/zinc/99/39/64/507993964.db2.gz YZBGCCPSNFFZEZ-SFHVURJKSA-N 2 2 373.522 2.988 10 0 FFAELP Cc1ccc(S(=O)(=O)CCC[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000091580195 507993965 /nfs/dbraw/zinc/99/39/65/507993965.db2.gz YZBGCCPSNFFZEZ-SFHVURJKSA-N 2 2 373.522 2.988 10 0 FFAELP C[C@@H]1C[N@@H+](C2CC[NH+](Cc3ccc(Oc4cnccn4)cc3)CC2)CCO1 ZINC000092079813 508041704 /nfs/dbraw/zinc/04/17/04/508041704.db2.gz JEFOEHXKUNWTET-QGZVFWFLSA-N 2 2 368.481 2.954 10 0 FFAELP C[C@@H]1C[N@H+](C2CC[NH+](Cc3ccc(Oc4cnccn4)cc3)CC2)CCO1 ZINC000092079813 508041707 /nfs/dbraw/zinc/04/17/07/508041707.db2.gz JEFOEHXKUNWTET-QGZVFWFLSA-N 2 2 368.481 2.954 10 0 FFAELP O=C1[C@@H]([N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CCN1c1ccccc1F ZINC000112340679 508176270 /nfs/dbraw/zinc/17/62/70/508176270.db2.gz URIHADLWIKDXPK-QAPCUYQASA-N 2 2 354.429 2.760 10 0 FFAELP O=C1[C@@H]([N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CCN1c1ccccc1F ZINC000112340679 508176272 /nfs/dbraw/zinc/17/62/72/508176272.db2.gz URIHADLWIKDXPK-QAPCUYQASA-N 2 2 354.429 2.760 10 0 FFAELP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)[C@H](Cc1ccccc1)[NH+](C)C)C2 ZINC000112725624 508216159 /nfs/dbraw/zinc/21/61/59/508216159.db2.gz YRBMLPBPPKXCRG-IBGZPJMESA-N 2 2 354.498 2.601 10 0 FFAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCCC[C@@H]3c3cn[nH]c3)c2cc1C ZINC000114482372 508320585 /nfs/dbraw/zinc/32/05/85/508320585.db2.gz DVJULZVEIIJKOB-PKOBYXMFSA-N 2 2 353.470 2.964 10 0 FFAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCCC[C@@H]3c3cn[nH]c3)c2cc1C ZINC000114482372 508320589 /nfs/dbraw/zinc/32/05/89/508320589.db2.gz DVJULZVEIIJKOB-PKOBYXMFSA-N 2 2 353.470 2.964 10 0 FFAELP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000154086973 508713953 /nfs/dbraw/zinc/71/39/53/508713953.db2.gz QLKPKTCCRYNKKD-MRXNPFEDSA-N 2 2 361.534 2.876 10 0 FFAELP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000154086973 508713957 /nfs/dbraw/zinc/71/39/57/508713957.db2.gz QLKPKTCCRYNKKD-MRXNPFEDSA-N 2 2 361.534 2.876 10 0 FFAELP COc1cc(OC)c([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)cc1Cl ZINC000151328513 508999972 /nfs/dbraw/zinc/99/99/72/508999972.db2.gz PQVUFURJZVDASY-KGLIPLIRSA-N 2 2 356.894 2.855 10 0 FFAELP COc1cc(OC)c([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)cc1Cl ZINC000151328626 509000227 /nfs/dbraw/zinc/00/02/27/509000227.db2.gz PQVUFURJZVDASY-ZIAGYGMSSA-N 2 2 356.894 2.855 10 0 FFAELP Cc1[nH+]c2ccccc2n1CC(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000172872335 509284490 /nfs/dbraw/zinc/28/44/90/509284490.db2.gz RXQRVFZXMGOZCK-UHFFFAOYSA-N 2 2 363.465 2.833 10 0 FFAELP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)C1 ZINC000248796876 509488962 /nfs/dbraw/zinc/48/89/62/509488962.db2.gz JHABYWOJJMQCAQ-SOLBZPMBSA-N 2 2 364.559 2.865 10 0 FFAELP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)C1 ZINC000248796876 509488969 /nfs/dbraw/zinc/48/89/69/509488969.db2.gz JHABYWOJJMQCAQ-SOLBZPMBSA-N 2 2 364.559 2.865 10 0 FFAELP CCO[C@H]1C[C@H]([NH2+]c2ccc(N3CC[NH+](C)CC3)cc2)C12CCOCC2 ZINC000186476983 509728812 /nfs/dbraw/zinc/72/88/12/509728812.db2.gz KJBAZAFOIHXWMD-PMACEKPBSA-N 2 2 359.514 2.825 10 0 FFAELP CC[N@H+](Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)cc1)C(C)C ZINC000173966069 509879047 /nfs/dbraw/zinc/87/90/47/509879047.db2.gz RZSOKSWOTOXJHF-WIYYLYMNSA-N 2 2 373.541 2.710 10 0 FFAELP CC[N@@H+](Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)cc1)C(C)C ZINC000173966069 509879054 /nfs/dbraw/zinc/87/90/54/509879054.db2.gz RZSOKSWOTOXJHF-WIYYLYMNSA-N 2 2 373.541 2.710 10 0 FFAELP CC[N@H+](C)C[C@H]1CC[NH+](CC(=O)N2CCC[C@H]2c2ccc(OC)cc2)C1 ZINC000245440045 509936561 /nfs/dbraw/zinc/93/65/61/509936561.db2.gz GFPWYZWBDHHIDI-XLIONFOSSA-N 2 2 359.514 2.632 10 0 FFAELP CC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N2CCC[C@H]2c2ccc(OC)cc2)C1 ZINC000245440045 509936567 /nfs/dbraw/zinc/93/65/67/509936567.db2.gz GFPWYZWBDHHIDI-XLIONFOSSA-N 2 2 359.514 2.632 10 0 FFAELP CC[NH+](C)C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H]2c2ccc(OC)cc2)C1 ZINC000245440045 509936570 /nfs/dbraw/zinc/93/65/70/509936570.db2.gz GFPWYZWBDHHIDI-XLIONFOSSA-N 2 2 359.514 2.632 10 0 FFAELP CC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2c2ccc(OC)cc2)C1 ZINC000245440045 509936576 /nfs/dbraw/zinc/93/65/76/509936576.db2.gz GFPWYZWBDHHIDI-XLIONFOSSA-N 2 2 359.514 2.632 10 0 FFAELP CC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CCC[C@H]2c2ccc(OC)cc2)C1 ZINC000245440044 509936880 /nfs/dbraw/zinc/93/68/80/509936880.db2.gz GFPWYZWBDHHIDI-PXNSSMCTSA-N 2 2 359.514 2.632 10 0 FFAELP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CCC[C@H]2c2ccc(OC)cc2)C1 ZINC000245440044 509936885 /nfs/dbraw/zinc/93/68/85/509936885.db2.gz GFPWYZWBDHHIDI-PXNSSMCTSA-N 2 2 359.514 2.632 10 0 FFAELP CC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]2c2ccc(OC)cc2)C1 ZINC000245440044 509936889 /nfs/dbraw/zinc/93/68/89/509936889.db2.gz GFPWYZWBDHHIDI-PXNSSMCTSA-N 2 2 359.514 2.632 10 0 FFAELP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2c2ccc(OC)cc2)C1 ZINC000245440044 509936891 /nfs/dbraw/zinc/93/68/91/509936891.db2.gz GFPWYZWBDHHIDI-PXNSSMCTSA-N 2 2 359.514 2.632 10 0 FFAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2cc(OC)ccc2OC)nc[nH+]1 ZINC000180573971 509991577 /nfs/dbraw/zinc/99/15/77/509991577.db2.gz LBLTVXVTEYCBMN-CABCVRRESA-N 2 2 371.485 2.855 10 0 FFAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2ccc(OC)c(F)c2)nc[nH+]1 ZINC000180576724 509993419 /nfs/dbraw/zinc/99/34/19/509993419.db2.gz NXJHUXLEORSLNM-UKRRQHHQSA-N 2 2 359.449 2.986 10 0 FFAELP CNc1cc(N2CCC[C@@H]2C[NH2+]C2CCN(c3ccccc3)CC2)nc[nH+]1 ZINC000180575183 509993929 /nfs/dbraw/zinc/99/39/29/509993929.db2.gz IZQQQHQYKRDSNS-LJQANCHMSA-N 2 2 366.513 2.746 10 0 FFAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+]([C@H](C)c3nc4ccccc4o3)CC2)C1 ZINC000245561118 510008749 /nfs/dbraw/zinc/00/87/49/510008749.db2.gz XCXLNIUDHVUEMK-MSOLQXFVSA-N 2 2 372.513 2.616 10 0 FFAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+]([C@H](C)c3nc4ccccc4o3)CC2)C1 ZINC000245561118 510008753 /nfs/dbraw/zinc/00/87/53/510008753.db2.gz XCXLNIUDHVUEMK-MSOLQXFVSA-N 2 2 372.513 2.616 10 0 FFAELP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000177385731 510028659 /nfs/dbraw/zinc/02/86/59/510028659.db2.gz FPBYVCJJBLVODR-KRWDZBQOSA-N 2 2 357.502 2.861 10 0 FFAELP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000177385731 510028666 /nfs/dbraw/zinc/02/86/66/510028666.db2.gz FPBYVCJJBLVODR-KRWDZBQOSA-N 2 2 357.502 2.861 10 0 FFAELP O=C(NCc1cccc(C[NH+]2CCCC2)c1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177390306 510030694 /nfs/dbraw/zinc/03/06/94/510030694.db2.gz OWMBLKKJYNBWOQ-HXUWFJFHSA-N 2 2 367.497 2.853 10 0 FFAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1CCC2(CC1)OCCO2 ZINC000190345911 510076775 /nfs/dbraw/zinc/07/67/75/510076775.db2.gz VWEALORBHWHBKC-XLIONFOSSA-N 2 2 359.514 2.815 10 0 FFAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1CCC2(CC1)OCCO2 ZINC000190345911 510076786 /nfs/dbraw/zinc/07/67/86/510076786.db2.gz VWEALORBHWHBKC-XLIONFOSSA-N 2 2 359.514 2.815 10 0 FFAELP C[C@H](CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)[N@H+](C)Cc1ccccc1 ZINC000177510435 510106234 /nfs/dbraw/zinc/10/62/34/510106234.db2.gz UIDVUQDWWOEUAV-IEBWSBKVSA-N 2 2 355.486 2.578 10 0 FFAELP C[C@H](CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)[N@@H+](C)Cc1ccccc1 ZINC000177510435 510106239 /nfs/dbraw/zinc/10/62/39/510106239.db2.gz UIDVUQDWWOEUAV-IEBWSBKVSA-N 2 2 355.486 2.578 10 0 FFAELP C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C[C@H]1C ZINC000246008590 510246286 /nfs/dbraw/zinc/24/62/86/510246286.db2.gz HTZCZWCICWPUQS-CVEARBPZSA-N 2 2 370.453 2.793 10 0 FFAELP C[C@H](O)C[N@H+]1CCN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C[C@H]1C ZINC000246008590 510246293 /nfs/dbraw/zinc/24/62/93/510246293.db2.gz HTZCZWCICWPUQS-CVEARBPZSA-N 2 2 370.453 2.793 10 0 FFAELP C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C[C@@H]1C ZINC000246008592 510247496 /nfs/dbraw/zinc/24/74/96/510247496.db2.gz HTZCZWCICWPUQS-HOTGVXAUSA-N 2 2 370.453 2.793 10 0 FFAELP C[C@H](O)C[N@H+]1CCN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C[C@@H]1C ZINC000246008592 510247501 /nfs/dbraw/zinc/24/75/01/510247501.db2.gz HTZCZWCICWPUQS-HOTGVXAUSA-N 2 2 370.453 2.793 10 0 FFAELP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000246055871 510267680 /nfs/dbraw/zinc/26/76/80/510267680.db2.gz YRSXUFFVICCGOK-OALUTQOASA-N 2 2 371.529 2.698 10 0 FFAELP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000246055871 510267691 /nfs/dbraw/zinc/26/76/91/510267691.db2.gz YRSXUFFVICCGOK-OALUTQOASA-N 2 2 371.529 2.698 10 0 FFAELP Cc1nc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)sc1C ZINC000171642157 510269324 /nfs/dbraw/zinc/26/93/24/510269324.db2.gz QGZLOKWRUIWTNE-DZGCQCFKSA-N 2 2 359.499 2.916 10 0 FFAELP Cc1nc(NC(=O)[C@H](C)[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)sc1C ZINC000171642157 510269333 /nfs/dbraw/zinc/26/93/33/510269333.db2.gz QGZLOKWRUIWTNE-DZGCQCFKSA-N 2 2 359.499 2.916 10 0 FFAELP O=C(C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)NCC1(c2ccccc2)CC1 ZINC000171643291 510271852 /nfs/dbraw/zinc/27/18/52/510271852.db2.gz LKUDOVAUWHJUTO-SFHVURJKSA-N 2 2 364.493 2.663 10 0 FFAELP O=C(C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)NCC1(c2ccccc2)CC1 ZINC000171643291 510271858 /nfs/dbraw/zinc/27/18/58/510271858.db2.gz LKUDOVAUWHJUTO-SFHVURJKSA-N 2 2 364.493 2.663 10 0 FFAELP Cc1ccccc1CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171643088 510273215 /nfs/dbraw/zinc/27/32/15/510273215.db2.gz XZRHWJUPEMDGTD-RTBURBONSA-N 2 2 366.509 2.871 10 0 FFAELP Cc1ccccc1CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171643088 510273225 /nfs/dbraw/zinc/27/32/25/510273225.db2.gz XZRHWJUPEMDGTD-RTBURBONSA-N 2 2 366.509 2.871 10 0 FFAELP Cc1csc2nc(C[N@@H+]3CC[C@@H](CNc4cccc(C)[nH+]4)C3)cc(=O)n12 ZINC000171652196 510281668 /nfs/dbraw/zinc/28/16/68/510281668.db2.gz AOMRSFIRUWKHKO-HNNXBMFYSA-N 2 2 369.494 2.702 10 0 FFAELP Cc1csc2nc(C[N@H+]3CC[C@@H](CNc4cccc(C)[nH+]4)C3)cc(=O)n12 ZINC000171652196 510281676 /nfs/dbraw/zinc/28/16/76/510281676.db2.gz AOMRSFIRUWKHKO-HNNXBMFYSA-N 2 2 369.494 2.702 10 0 FFAELP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)c1 ZINC000174889272 510369286 /nfs/dbraw/zinc/36/92/86/510369286.db2.gz RKFUOGDDASOUJU-UXHICEINSA-N 2 2 372.557 2.732 10 0 FFAELP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)c1 ZINC000174889272 510369293 /nfs/dbraw/zinc/36/92/93/510369293.db2.gz RKFUOGDDASOUJU-UXHICEINSA-N 2 2 372.557 2.732 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1OC(F)F ZINC000178327220 510548311 /nfs/dbraw/zinc/54/83/11/510548311.db2.gz MXXVRAWGMOYBNX-CQSZACIVSA-N 2 2 364.396 2.896 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)Nc1ccccc1OC(F)F ZINC000178327220 510548322 /nfs/dbraw/zinc/54/83/22/510548322.db2.gz MXXVRAWGMOYBNX-CQSZACIVSA-N 2 2 364.396 2.896 10 0 FFAELP CCOc1cccc(CNC(=O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246785741 510672697 /nfs/dbraw/zinc/67/26/97/510672697.db2.gz MBBLXQMVDSAIIM-RXVVDRJESA-N 2 2 371.525 2.650 10 0 FFAELP CCOc1cccc(CNC(=O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246785741 510672709 /nfs/dbraw/zinc/67/27/09/510672709.db2.gz MBBLXQMVDSAIIM-RXVVDRJESA-N 2 2 371.525 2.650 10 0 FFAELP CCOc1cccc(CNC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246785741 510672715 /nfs/dbraw/zinc/67/27/15/510672715.db2.gz MBBLXQMVDSAIIM-RXVVDRJESA-N 2 2 371.525 2.650 10 0 FFAELP CCOc1cccc(CNC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246785741 510672720 /nfs/dbraw/zinc/67/27/20/510672720.db2.gz MBBLXQMVDSAIIM-RXVVDRJESA-N 2 2 371.525 2.650 10 0 FFAELP Brc1ccc2[nH+]cc(C[N@@H+]3CCS[C@H]4COCC[C@H]43)n2c1 ZINC000246806848 510684957 /nfs/dbraw/zinc/68/49/57/510684957.db2.gz QWWQOZZQCIMONT-KGLIPLIRSA-N 2 2 368.300 2.803 10 0 FFAELP Brc1ccc2[nH+]cc(C[N@H+]3CCS[C@H]4COCC[C@H]43)n2c1 ZINC000246806848 510684963 /nfs/dbraw/zinc/68/49/63/510684963.db2.gz QWWQOZZQCIMONT-KGLIPLIRSA-N 2 2 368.300 2.803 10 0 FFAELP O=C1O[C@H](C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CN1c1ccccc1 ZINC000246857584 510713110 /nfs/dbraw/zinc/71/31/10/510713110.db2.gz PLNBYLXMHRNZQT-AHRSYUTCSA-N 2 2 355.482 2.961 10 0 FFAELP O=C1O[C@H](C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CN1c1ccccc1 ZINC000246857584 510713117 /nfs/dbraw/zinc/71/31/17/510713117.db2.gz PLNBYLXMHRNZQT-AHRSYUTCSA-N 2 2 355.482 2.961 10 0 FFAELP O=C1O[C@H](C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CN1c1ccccc1 ZINC000246857584 510713121 /nfs/dbraw/zinc/71/31/21/510713121.db2.gz PLNBYLXMHRNZQT-AHRSYUTCSA-N 2 2 355.482 2.961 10 0 FFAELP CC[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195282238 510758855 /nfs/dbraw/zinc/75/88/55/510758855.db2.gz CAESTMNTWADKCP-UXHICEINSA-N 2 2 358.530 2.626 10 0 FFAELP CC[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195282238 510758859 /nfs/dbraw/zinc/75/88/59/510758859.db2.gz CAESTMNTWADKCP-UXHICEINSA-N 2 2 358.530 2.626 10 0 FFAELP CC[C@H]1CCCCN1C(=O)C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195282238 510758863 /nfs/dbraw/zinc/75/88/63/510758863.db2.gz CAESTMNTWADKCP-UXHICEINSA-N 2 2 358.530 2.626 10 0 FFAELP CC[C@H]1CCCCN1C(=O)C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195282238 510758868 /nfs/dbraw/zinc/75/88/68/510758868.db2.gz CAESTMNTWADKCP-UXHICEINSA-N 2 2 358.530 2.626 10 0 FFAELP Cc1ccc(OC[C@@H](O)C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)cc1 ZINC000195301028 510771847 /nfs/dbraw/zinc/77/18/47/510771847.db2.gz FAKBNTWNSGBIFQ-RTWAWAEBSA-N 2 2 369.509 2.584 10 0 FFAELP Cc1ccc(OC[C@@H](O)C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)cc1 ZINC000195301028 510771850 /nfs/dbraw/zinc/77/18/50/510771850.db2.gz FAKBNTWNSGBIFQ-RTWAWAEBSA-N 2 2 369.509 2.584 10 0 FFAELP Cc1ccc(OC[C@@H](O)C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)cc1 ZINC000195301028 510771854 /nfs/dbraw/zinc/77/18/54/510771854.db2.gz FAKBNTWNSGBIFQ-RTWAWAEBSA-N 2 2 369.509 2.584 10 0 FFAELP Cc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)cc1 ZINC000195301028 510771856 /nfs/dbraw/zinc/77/18/56/510771856.db2.gz FAKBNTWNSGBIFQ-RTWAWAEBSA-N 2 2 369.509 2.584 10 0 FFAELP FC(F)(F)CN1CCC(C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)CC1 ZINC000188515720 510806284 /nfs/dbraw/zinc/80/62/84/510806284.db2.gz OCEZXDQZKCEPNX-UHFFFAOYSA-N 2 2 370.463 2.910 10 0 FFAELP CC(=O)N(c1nc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cs1)C1CC1 ZINC000247738794 510869406 /nfs/dbraw/zinc/86/94/06/510869406.db2.gz VUQVNAKOUIFBLU-CXAGYDPISA-N 2 2 359.499 2.938 10 0 FFAELP CC(=O)N(c1nc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cs1)C1CC1 ZINC000247738794 510869407 /nfs/dbraw/zinc/86/94/07/510869407.db2.gz VUQVNAKOUIFBLU-CXAGYDPISA-N 2 2 359.499 2.938 10 0 FFAELP C[N@H+](Cc1ccccn1)[C@H]1CCC[NH+](Cc2cnc3ncccn23)CC1 ZINC000328625689 511897976 /nfs/dbraw/zinc/89/79/76/511897976.db2.gz DKRCTQMSLPZQTI-SFHVURJKSA-N 2 2 350.470 2.611 10 0 FFAELP C[N@@H+](Cc1ccccn1)[C@H]1CCC[NH+](Cc2cnc3ncccn23)CC1 ZINC000328625689 511897979 /nfs/dbraw/zinc/89/79/79/511897979.db2.gz DKRCTQMSLPZQTI-SFHVURJKSA-N 2 2 350.470 2.611 10 0 FFAELP C[NH+](Cc1ccccn1)[C@H]1CCC[N@H+](Cc2cnc3ncccn23)CC1 ZINC000328625689 511897982 /nfs/dbraw/zinc/89/79/82/511897982.db2.gz DKRCTQMSLPZQTI-SFHVURJKSA-N 2 2 350.470 2.611 10 0 FFAELP C[NH+](Cc1ccccn1)[C@H]1CCC[N@@H+](Cc2cnc3ncccn23)CC1 ZINC000328625689 511897987 /nfs/dbraw/zinc/89/79/87/511897987.db2.gz DKRCTQMSLPZQTI-SFHVURJKSA-N 2 2 350.470 2.611 10 0 FFAELP COc1cc(C[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)cc2c1OCO2 ZINC000328654414 511909068 /nfs/dbraw/zinc/90/90/68/511909068.db2.gz XKFJBNVSIHYLKJ-LPHOPBHVSA-N 2 2 355.438 2.602 10 0 FFAELP COc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cc2c1OCO2 ZINC000328654414 511909071 /nfs/dbraw/zinc/90/90/71/511909071.db2.gz XKFJBNVSIHYLKJ-LPHOPBHVSA-N 2 2 355.438 2.602 10 0 FFAELP C[N@H+](C[C@@H](O)COc1ccccc1F)C1CCN(c2cccc[nH+]2)CC1 ZINC000370191739 512813575 /nfs/dbraw/zinc/81/35/75/512813575.db2.gz NJZSSQSIFRHHMH-QGZVFWFLSA-N 2 2 359.445 2.561 10 0 FFAELP C[N@@H+](C[C@@H](O)COc1ccccc1F)C1CCN(c2cccc[nH+]2)CC1 ZINC000370191739 512813579 /nfs/dbraw/zinc/81/35/79/512813579.db2.gz NJZSSQSIFRHHMH-QGZVFWFLSA-N 2 2 359.445 2.561 10 0 FFAELP CCCOc1c(Cl)cc(C[NH2+]CCC[NH+]2CCOCC2)cc1OC ZINC000020968091 520295353 /nfs/dbraw/zinc/29/53/53/520295353.db2.gz JALMDDSUOKHOJL-UHFFFAOYSA-N 2 2 356.894 2.949 10 0 FFAELP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c2cccc(Br)c2)CC1 ZINC000182572756 729281906 /nfs/dbraw/zinc/28/19/06/729281906.db2.gz RRJSIZKIRNTKBS-KBPBESRZSA-N 2 2 368.319 2.652 10 0 FFAELP Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)c1O ZINC000187050035 729371986 /nfs/dbraw/zinc/37/19/86/729371986.db2.gz OOKLHIRCKMHZMJ-HIFRSBDPSA-N 2 2 371.319 2.961 10 0 FFAELP CC(C)c1nc(N2CCC[C@H]([NH2+]Cc3ccccc3)C2)nc(N(C)C)[nH+]1 ZINC000301955035 258078207 /nfs/dbraw/zinc/07/82/07/258078207.db2.gz KOCAHVJJGCGHME-KRWDZBQOSA-N 2 2 354.502 2.820 10 0 FFAELP CCc1noc([C@@H](C)[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC000330214982 258158846 /nfs/dbraw/zinc/15/88/46/258158846.db2.gz GPLVNRXOWLXOJZ-OWCLPIDISA-N 2 2 350.507 2.904 10 0 FFAELP CCc1noc([C@@H](C)[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC000330214982 258158847 /nfs/dbraw/zinc/15/88/47/258158847.db2.gz GPLVNRXOWLXOJZ-OWCLPIDISA-N 2 2 350.507 2.904 10 0 FFAELP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@@H]3CCCC[NH2+]C3)n2)C1 ZINC000333088943 258249259 /nfs/dbraw/zinc/24/92/59/258249259.db2.gz CCBGWGKESGUQNM-UONOGXRCSA-N 2 2 351.520 2.639 10 0 FFAELP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@@H]3CCCC[NH2+]C3)n2)C1 ZINC000333088943 258249260 /nfs/dbraw/zinc/24/92/60/258249260.db2.gz CCBGWGKESGUQNM-UONOGXRCSA-N 2 2 351.520 2.639 10 0 FFAELP C[C@H](NC(=O)N(C)CC1CC[NH+](C)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000076470920 508210239 /nfs/dbraw/zinc/21/02/39/508210239.db2.gz RHWCTOBRUCZOQM-INIZCTEOSA-N 2 2 355.486 2.917 10 0 FFAELP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1)C2 ZINC000112745760 508219135 /nfs/dbraw/zinc/21/91/35/508219135.db2.gz YOTJMNNQWOYODW-HZPDHXFCSA-N 2 2 361.534 2.732 10 0 FFAELP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1)C2 ZINC000112745760 508219137 /nfs/dbraw/zinc/21/91/37/508219137.db2.gz YOTJMNNQWOYODW-HZPDHXFCSA-N 2 2 361.534 2.732 10 0 FFAELP CN(CC[NH3+])CCNc1c(C(=O)C(F)(F)F)c[nH+]c2cc(Cl)ccc21 ZINC000097757687 508229974 /nfs/dbraw/zinc/22/99/74/508229974.db2.gz AQLKTIAEWCPKBT-UHFFFAOYSA-N 2 2 374.794 2.936 10 0 FFAELP Cc1ccc(C(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1Oc1cc[nH+]cc1 ZINC000116792916 508562170 /nfs/dbraw/zinc/56/21/70/508562170.db2.gz RXNPWDVEJDNJKM-GOSISDBHSA-N 2 2 355.438 2.585 10 0 FFAELP CCOC(=O)c1[nH]c(C)c(C(=O)C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1C ZINC000154587474 508814211 /nfs/dbraw/zinc/81/42/11/508814211.db2.gz DETYBKHGICOVMC-MRXNPFEDSA-N 2 2 372.469 2.660 10 0 FFAELP CCOC(=O)c1[nH]c(C)c(C(=O)C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1C ZINC000154587474 508814214 /nfs/dbraw/zinc/81/42/14/508814214.db2.gz DETYBKHGICOVMC-MRXNPFEDSA-N 2 2 372.469 2.660 10 0 FFAELP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)N(C)Cc3cccs3)C2)[nH+]1 ZINC000151114296 508960381 /nfs/dbraw/zinc/96/03/81/508960381.db2.gz BHQWCSSVBPUFMQ-INIZCTEOSA-N 2 2 358.511 2.844 10 0 FFAELP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)N(C)Cc3cccs3)C2)[nH+]1 ZINC000151114296 508960382 /nfs/dbraw/zinc/96/03/82/508960382.db2.gz BHQWCSSVBPUFMQ-INIZCTEOSA-N 2 2 358.511 2.844 10 0 FFAELP O[C@@H]1CCCC[C@@H]1[NH+]1CCC(Nc2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000132901836 509089029 /nfs/dbraw/zinc/08/90/29/509089029.db2.gz HQOXHMZXANWZHP-ZWKOTPCHSA-N 2 2 359.518 2.647 10 0 FFAELP O[C@@H]1CCCC[C@@H]1[NH+]1CCC(Nc2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000132901836 509089034 /nfs/dbraw/zinc/08/90/34/509089034.db2.gz HQOXHMZXANWZHP-ZWKOTPCHSA-N 2 2 359.518 2.647 10 0 FFAELP C[N@H+](CCCOCc1ccccc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000182345190 509186635 /nfs/dbraw/zinc/18/66/35/509186635.db2.gz ACELZMSBPLGZAF-UHFFFAOYSA-N 2 2 356.514 2.886 10 0 FFAELP C[N@@H+](CCCOCc1ccccc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000182345190 509186642 /nfs/dbraw/zinc/18/66/42/509186642.db2.gz ACELZMSBPLGZAF-UHFFFAOYSA-N 2 2 356.514 2.886 10 0 FFAELP C[NH+]1CCC(CNC(=O)[C@]2(C)CC2(Cl)Cl)([NH+]2CCCCC2)CC1 ZINC000172755036 509214408 /nfs/dbraw/zinc/21/44/08/509214408.db2.gz VAFFZEDUMNNHGV-HNNXBMFYSA-N 2 2 362.345 2.637 10 0 FFAELP c1ccc(C[N@H+]2CCC[C@H]3CN(CCC[NH+]4CCOCC4)CC[C@H]32)cc1 ZINC000248132605 509243474 /nfs/dbraw/zinc/24/34/74/509243474.db2.gz OQHYZOFCJSBOCN-FCHUYYIVSA-N 2 2 357.542 2.695 10 0 FFAELP c1ccc(C[N@@H+]2CCC[C@H]3CN(CCC[NH+]4CCOCC4)CC[C@H]32)cc1 ZINC000248132605 509243479 /nfs/dbraw/zinc/24/34/79/509243479.db2.gz OQHYZOFCJSBOCN-FCHUYYIVSA-N 2 2 357.542 2.695 10 0 FFAELP CCCOc1ccc(CNC(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000248153238 509250165 /nfs/dbraw/zinc/25/01/65/509250165.db2.gz RAUSPURCADSSMR-AZUAARDMSA-N 2 2 359.514 2.508 10 0 FFAELP CCCOc1ccc(CNC(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000248153238 509250168 /nfs/dbraw/zinc/25/01/68/509250168.db2.gz RAUSPURCADSSMR-AZUAARDMSA-N 2 2 359.514 2.508 10 0 FFAELP CCCOc1ccc(CNC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000248153238 509250169 /nfs/dbraw/zinc/25/01/69/509250169.db2.gz RAUSPURCADSSMR-AZUAARDMSA-N 2 2 359.514 2.508 10 0 FFAELP CCCOc1ccc(CNC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000248153238 509250171 /nfs/dbraw/zinc/25/01/71/509250171.db2.gz RAUSPURCADSSMR-AZUAARDMSA-N 2 2 359.514 2.508 10 0 FFAELP CN(Cc1c(F)cccc1Cl)C(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000248216311 509260846 /nfs/dbraw/zinc/26/08/46/509260846.db2.gz ZSFGOEQYIDAIDK-RDTXWAMCSA-N 2 2 367.896 2.854 10 0 FFAELP CN(Cc1c(F)cccc1Cl)C(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000248216311 509260855 /nfs/dbraw/zinc/26/08/55/509260855.db2.gz ZSFGOEQYIDAIDK-RDTXWAMCSA-N 2 2 367.896 2.854 10 0 FFAELP CN(Cc1c(F)cccc1Cl)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000248216311 509260861 /nfs/dbraw/zinc/26/08/61/509260861.db2.gz ZSFGOEQYIDAIDK-RDTXWAMCSA-N 2 2 367.896 2.854 10 0 FFAELP CN(Cc1c(F)cccc1Cl)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000248216311 509260873 /nfs/dbraw/zinc/26/08/73/509260873.db2.gz ZSFGOEQYIDAIDK-RDTXWAMCSA-N 2 2 367.896 2.854 10 0 FFAELP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000191978815 509273570 /nfs/dbraw/zinc/27/35/70/509273570.db2.gz PGFJCBIGLYIDSN-UHFFFAOYSA-N 2 2 365.481 2.749 10 0 FFAELP C[NH+]1CCN([C@@H]2CCCC[N@H+](CCOc3ccc(F)cc3Cl)C2)CC1 ZINC000182907975 509489535 /nfs/dbraw/zinc/48/95/35/509489535.db2.gz QQUSPCHZPLSMIC-QGZVFWFLSA-N 2 2 369.912 2.960 10 0 FFAELP C[NH+]1CCN([C@@H]2CCCC[N@@H+](CCOc3ccc(F)cc3Cl)C2)CC1 ZINC000182907975 509489543 /nfs/dbraw/zinc/48/95/43/509489543.db2.gz QQUSPCHZPLSMIC-QGZVFWFLSA-N 2 2 369.912 2.960 10 0 FFAELP O=C(C[N@@H+]1CCO[C@@H]2CCCC[C@H]21)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000249725890 509744660 /nfs/dbraw/zinc/74/46/60/509744660.db2.gz PWPWFKDHAPTTIN-NHCUHLMSSA-N 2 2 371.525 2.542 10 0 FFAELP O=C(C[N@H+]1CCO[C@@H]2CCCC[C@H]21)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000249725890 509744664 /nfs/dbraw/zinc/74/46/64/509744664.db2.gz PWPWFKDHAPTTIN-NHCUHLMSSA-N 2 2 371.525 2.542 10 0 FFAELP CC[NH+](CC)[C@H](CNc1cc(N2CCC[C@H]2CO)[nH+]cn1)c1ccco1 ZINC000252440970 509835353 /nfs/dbraw/zinc/83/53/53/509835353.db2.gz KCPZCEXMCLKSHW-JKSUJKDBSA-N 2 2 359.474 2.526 10 0 FFAELP NC(=O)[C@H](Cc1ccc(Cl)cc1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000183623198 509890929 /nfs/dbraw/zinc/89/09/29/509890929.db2.gz AOPKDBKUQQRQLI-WBVHZDCISA-N 2 2 358.873 2.565 10 0 FFAELP NC(=O)[C@H](Cc1ccc(Cl)cc1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000183623198 509890935 /nfs/dbraw/zinc/89/09/35/509890935.db2.gz AOPKDBKUQQRQLI-WBVHZDCISA-N 2 2 358.873 2.565 10 0 FFAELP CCc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)cc1 ZINC000245415478 509918242 /nfs/dbraw/zinc/91/82/42/509918242.db2.gz DHWIVLIUOBRQNY-WIYYLYMNSA-N 2 2 372.557 2.678 10 0 FFAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2cccc(NC(C)=O)c2)nc[nH+]1 ZINC000180570183 509990230 /nfs/dbraw/zinc/99/02/30/509990230.db2.gz XKJCQJYOYQWPHB-KSSFIOAISA-N 2 2 368.485 2.796 10 0 FFAELP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193644530 510002665 /nfs/dbraw/zinc/00/26/65/510002665.db2.gz DUIRKVGHOYMKKJ-UIFIKXQLSA-N 2 2 363.505 2.774 10 0 FFAELP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193644530 510002674 /nfs/dbraw/zinc/00/26/74/510002674.db2.gz DUIRKVGHOYMKKJ-UIFIKXQLSA-N 2 2 363.505 2.774 10 0 FFAELP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193644530 510002680 /nfs/dbraw/zinc/00/26/80/510002680.db2.gz DUIRKVGHOYMKKJ-UIFIKXQLSA-N 2 2 363.505 2.774 10 0 FFAELP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193644530 510002689 /nfs/dbraw/zinc/00/26/89/510002689.db2.gz DUIRKVGHOYMKKJ-UIFIKXQLSA-N 2 2 363.505 2.774 10 0 FFAELP CCCCc1noc([C@@H](C)[NH2+]C[C@H]2CCCN2c2cc(NC)[nH+]cn2)n1 ZINC000174287655 510040414 /nfs/dbraw/zinc/04/04/14/510040414.db2.gz DTUJACJBRYUZKS-ZIAGYGMSSA-N 2 2 359.478 2.564 10 0 FFAELP C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCn3cc[nH+]c32)[C@H]1c1ccc(Cl)cc1 ZINC000246006320 510247615 /nfs/dbraw/zinc/24/76/15/510247615.db2.gz YWRKTVILFQVKDO-IXDOHACOSA-N 2 2 358.873 2.976 10 0 FFAELP C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCn3cc[nH+]c32)[C@H]1c1ccc(Cl)cc1 ZINC000246006320 510247619 /nfs/dbraw/zinc/24/76/19/510247619.db2.gz YWRKTVILFQVKDO-IXDOHACOSA-N 2 2 358.873 2.976 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000171619101 510255492 /nfs/dbraw/zinc/25/54/92/510255492.db2.gz MCJHQXDXCDWQRA-RTBURBONSA-N 2 2 354.498 2.782 10 0 FFAELP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000246166519 510332890 /nfs/dbraw/zinc/33/28/90/510332890.db2.gz REJWZAHDMIOJNT-MJGOQNOKSA-N 2 2 367.497 2.504 10 0 FFAELP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000246166519 510332896 /nfs/dbraw/zinc/33/28/96/510332896.db2.gz REJWZAHDMIOJNT-MJGOQNOKSA-N 2 2 367.497 2.504 10 0 FFAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](Cc3cc(Cl)cs3)CC2)C1 ZINC000194385299 510339402 /nfs/dbraw/zinc/33/94/02/510339402.db2.gz NDZHLJKDEMCDIR-MRXNPFEDSA-N 2 2 357.951 2.628 10 0 FFAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](Cc3cc(Cl)cs3)CC2)C1 ZINC000194385299 510339408 /nfs/dbraw/zinc/33/94/08/510339408.db2.gz NDZHLJKDEMCDIR-MRXNPFEDSA-N 2 2 357.951 2.628 10 0 FFAELP CCC(CC)[C@@H](CNc1cc(N2CCC[C@H]2CO)[nH+]cn1)[NH+]1CCCC1 ZINC000246178955 510342664 /nfs/dbraw/zinc/34/26/64/510342664.db2.gz PWGLSCLAGWVIPD-ZWKOTPCHSA-N 2 2 361.534 2.750 10 0 FFAELP Cc1csc2nc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)cc(=O)n12 ZINC000246270500 510399974 /nfs/dbraw/zinc/39/99/74/510399974.db2.gz ABCRHDOIIZNXQP-YOEHRIQHSA-N 2 2 358.511 2.513 10 0 FFAELP Cc1csc2nc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)cc(=O)n12 ZINC000246270500 510399980 /nfs/dbraw/zinc/39/99/80/510399980.db2.gz ABCRHDOIIZNXQP-YOEHRIQHSA-N 2 2 358.511 2.513 10 0 FFAELP Cc1csc2nc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cc(=O)n12 ZINC000246270500 510399985 /nfs/dbraw/zinc/39/99/85/510399985.db2.gz ABCRHDOIIZNXQP-YOEHRIQHSA-N 2 2 358.511 2.513 10 0 FFAELP Cc1csc2nc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)cc(=O)n12 ZINC000246270500 510399991 /nfs/dbraw/zinc/39/99/91/510399991.db2.gz ABCRHDOIIZNXQP-YOEHRIQHSA-N 2 2 358.511 2.513 10 0 FFAELP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000175050800 510459819 /nfs/dbraw/zinc/45/98/19/510459819.db2.gz WJOZGAPPMGFYLJ-UZLBHIALSA-N 2 2 370.497 2.843 10 0 FFAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)C1 ZINC000188230431 510659046 /nfs/dbraw/zinc/65/90/46/510659046.db2.gz YAHMIMZXGMPZKK-ILCXRZRJSA-N 2 2 369.509 2.912 10 0 FFAELP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)C1 ZINC000188230431 510659050 /nfs/dbraw/zinc/65/90/50/510659050.db2.gz YAHMIMZXGMPZKK-ILCXRZRJSA-N 2 2 369.509 2.912 10 0 FFAELP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H](CC(C)C)C[NH+](C)C)c1C ZINC000195144776 510686020 /nfs/dbraw/zinc/68/60/20/510686020.db2.gz QFVVTUINQWMREF-MRXNPFEDSA-N 2 2 350.507 2.825 10 0 FFAELP CC[N@@H+]1CCC[C@H](NC(=O)NCc2[nH+]ccn2CCCc2ccccc2)C1 ZINC000175707201 510746922 /nfs/dbraw/zinc/74/69/22/510746922.db2.gz HKLWWVUXNGOXMT-IBGZPJMESA-N 2 2 369.513 2.799 10 0 FFAELP CC[N@H+]1CCC[C@H](NC(=O)NCc2[nH+]ccn2CCCc2ccccc2)C1 ZINC000175707201 510746925 /nfs/dbraw/zinc/74/69/25/510746925.db2.gz HKLWWVUXNGOXMT-IBGZPJMESA-N 2 2 369.513 2.799 10 0 FFAELP CCOC(=O)c1c[nH+]c2c(C)c(C)ccc2c1N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000301709819 511700803 /nfs/dbraw/zinc/70/08/03/511700803.db2.gz JWDADDWZDMIXPC-ROUUACIJSA-N 2 2 369.465 2.548 10 0 FFAELP CCOC(=O)c1c[nH+]c2c(C)c(C)ccc2c1N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000301709819 511700810 /nfs/dbraw/zinc/70/08/10/511700810.db2.gz JWDADDWZDMIXPC-ROUUACIJSA-N 2 2 369.465 2.548 10 0 FFAELP Cn1cc[nH+]c1CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)[C@H]1CC12CC[NH2+]CC2 ZINC000328651868 511908124 /nfs/dbraw/zinc/90/81/24/511908124.db2.gz WCLSPODVZWJWSN-OTWHNJEPSA-N 2 2 364.493 2.695 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cn1nc(N(C)C)n(C(C)C)c1=S ZINC000176085044 729108599 /nfs/dbraw/zinc/10/85/99/729108599.db2.gz MSAHNBUOMRLTTE-OAHLLOKOSA-N 2 2 363.535 2.688 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cn1nc(N(C)C)n(C(C)C)c1=S ZINC000176085044 729108606 /nfs/dbraw/zinc/10/86/06/729108606.db2.gz MSAHNBUOMRLTTE-OAHLLOKOSA-N 2 2 363.535 2.688 10 0 FFAELP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000106540147 250275989 /nfs/dbraw/zinc/27/59/89/250275989.db2.gz XDALFNAEENLKNN-MSOLQXFVSA-N 2 2 355.486 2.819 10 0 FFAELP Cc1nc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)c2c([nH+]1)CCCC2 ZINC000302072197 258086258 /nfs/dbraw/zinc/08/62/58/258086258.db2.gz ZBCNNGIRKZTSFG-FQEVSTJZSA-N 2 2 352.482 2.519 10 0 FFAELP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC[NH2+]C[C@@](C)(F)C3)n2)C1 ZINC000333131863 258251624 /nfs/dbraw/zinc/25/16/24/258251624.db2.gz JRALGRZKRHKCIG-SUMWQHHRSA-N 2 2 369.510 2.540 10 0 FFAELP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC[NH2+]C[C@@](C)(F)C3)n2)C1 ZINC000333131863 258251625 /nfs/dbraw/zinc/25/16/25/258251625.db2.gz JRALGRZKRHKCIG-SUMWQHHRSA-N 2 2 369.510 2.540 10 0 FFAELP C[C@@H]1C[N@@H+](C2CC[NH+](CCC(=O)Nc3ccc(Cl)cc3)CC2)CCO1 ZINC000109133579 507941594 /nfs/dbraw/zinc/94/15/94/507941594.db2.gz UGGGKDZMCFCQSB-OAHLLOKOSA-N 2 2 365.905 2.854 10 0 FFAELP C[C@@H]1C[N@H+](C2CC[NH+](CCC(=O)Nc3ccc(Cl)cc3)CC2)CCO1 ZINC000109133579 507941596 /nfs/dbraw/zinc/94/15/96/507941596.db2.gz UGGGKDZMCFCQSB-OAHLLOKOSA-N 2 2 365.905 2.854 10 0 FFAELP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cc(F)cc3cccnc32)CC1 ZINC000109754808 507984772 /nfs/dbraw/zinc/98/47/72/507984772.db2.gz VBXIPDJGDKRRRJ-HXUWFJFHSA-N 2 2 356.489 2.976 10 0 FFAELP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cc(F)cc3cccnc32)CC1 ZINC000109754808 507984774 /nfs/dbraw/zinc/98/47/74/507984774.db2.gz VBXIPDJGDKRRRJ-HXUWFJFHSA-N 2 2 356.489 2.976 10 0 FFAELP O=C(CC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)Nc1ccc2c(c1)OCO2 ZINC000101587037 508249537 /nfs/dbraw/zinc/24/95/37/508249537.db2.gz HJIUFAMUHQTQRQ-HNNXBMFYSA-N 2 2 368.437 2.573 10 0 FFAELP O=C(CC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)Nc1ccc2c(c1)OCO2 ZINC000101587037 508249538 /nfs/dbraw/zinc/24/95/38/508249538.db2.gz HJIUFAMUHQTQRQ-HNNXBMFYSA-N 2 2 368.437 2.573 10 0 FFAELP Cc1ccc2[nH+]c(CSCC(=O)N3C[C@H]4CCC[N@H+]4C[C@@H]3C)cn2c1 ZINC000113459010 508269155 /nfs/dbraw/zinc/26/91/55/508269155.db2.gz FJDQCEYLOXNQHP-DOTOQJQBSA-N 2 2 358.511 2.571 10 0 FFAELP Cc1ccc2[nH+]c(CSCC(=O)N3C[C@H]4CCC[N@@H+]4C[C@@H]3C)cn2c1 ZINC000113459010 508269156 /nfs/dbraw/zinc/26/91/56/508269156.db2.gz FJDQCEYLOXNQHP-DOTOQJQBSA-N 2 2 358.511 2.571 10 0 FFAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCCC[C@@H]3c3cn[nH]c3)c2cc1C ZINC000114482369 508320539 /nfs/dbraw/zinc/32/05/39/508320539.db2.gz DVJULZVEIIJKOB-IEBWSBKVSA-N 2 2 353.470 2.964 10 0 FFAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCCC[C@@H]3c3cn[nH]c3)c2cc1C ZINC000114482369 508320542 /nfs/dbraw/zinc/32/05/42/508320542.db2.gz DVJULZVEIIJKOB-IEBWSBKVSA-N 2 2 353.470 2.964 10 0 FFAELP C[C@H]1CC[C@@H](NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c2ccccc21 ZINC000153104157 508548396 /nfs/dbraw/zinc/54/83/96/508548396.db2.gz PJVACDRKRYMBGL-OXJNMPFZSA-N 2 2 358.530 2.950 10 0 FFAELP C[N@@H+]1CCC[C@H]1CC[NH+]1CCN(Cc2nc(-c3ccccc3)co2)CC1 ZINC000120888929 509083676 /nfs/dbraw/zinc/08/36/76/509083676.db2.gz YZIXGYPGSHVDMQ-IBGZPJMESA-N 2 2 354.498 2.944 10 0 FFAELP C[N@H+]1CCC[C@H]1CC[NH+]1CCN(Cc2nc(-c3ccccc3)co2)CC1 ZINC000120888929 509083680 /nfs/dbraw/zinc/08/36/80/509083680.db2.gz YZIXGYPGSHVDMQ-IBGZPJMESA-N 2 2 354.498 2.944 10 0 FFAELP C[N@@H+]1CCC[C@H]1CCN1CC[NH+](Cc2nc(-c3ccccc3)co2)CC1 ZINC000120888929 509083683 /nfs/dbraw/zinc/08/36/83/509083683.db2.gz YZIXGYPGSHVDMQ-IBGZPJMESA-N 2 2 354.498 2.944 10 0 FFAELP C[N@H+]1CCC[C@H]1CCN1CC[NH+](Cc2nc(-c3ccccc3)co2)CC1 ZINC000120888929 509083686 /nfs/dbraw/zinc/08/36/86/509083686.db2.gz YZIXGYPGSHVDMQ-IBGZPJMESA-N 2 2 354.498 2.944 10 0 FFAELP O=C(NCc1[nH+]ccn1CCCc1ccccc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000175927993 509222870 /nfs/dbraw/zinc/22/28/70/509222870.db2.gz WQEUBTOSIMZBAK-LJQANCHMSA-N 2 2 367.497 2.506 10 0 FFAELP O=C(NCc1[nH+]ccn1CCCc1ccccc1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000175927993 509222874 /nfs/dbraw/zinc/22/28/74/509222874.db2.gz WQEUBTOSIMZBAK-LJQANCHMSA-N 2 2 367.497 2.506 10 0 FFAELP COC(=O)c1cc2cc(C[NH+]3CCC([N@@H+]4CCO[C@H](C)C4)CC3)ccc2o1 ZINC000172798823 509243957 /nfs/dbraw/zinc/24/39/57/509243957.db2.gz DDFOTKVMWQIYKM-OAHLLOKOSA-N 2 2 372.465 2.905 10 0 FFAELP COC(=O)c1cc2cc(C[NH+]3CCC([N@H+]4CCO[C@H](C)C4)CC3)ccc2o1 ZINC000172798823 509243965 /nfs/dbraw/zinc/24/39/65/509243965.db2.gz DDFOTKVMWQIYKM-OAHLLOKOSA-N 2 2 372.465 2.905 10 0 FFAELP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2cnc(-c3ccccc3)[nH]2)nc[nH+]1 ZINC000175992927 509260372 /nfs/dbraw/zinc/26/03/72/509260372.db2.gz FJFIIDCJBUKAAK-QGZVFWFLSA-N 2 2 363.469 2.667 10 0 FFAELP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2c[nH]c(-c3ccccc3)n2)nc[nH+]1 ZINC000175992927 509260381 /nfs/dbraw/zinc/26/03/81/509260381.db2.gz FJFIIDCJBUKAAK-QGZVFWFLSA-N 2 2 363.469 2.667 10 0 FFAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000192006482 509290505 /nfs/dbraw/zinc/29/05/05/509290505.db2.gz IXVIZFKGEHSSDE-UHFFFAOYSA-N 2 2 364.497 2.622 10 0 FFAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000192006482 509290512 /nfs/dbraw/zinc/29/05/12/509290512.db2.gz IXVIZFKGEHSSDE-UHFFFAOYSA-N 2 2 364.497 2.622 10 0 FFAELP CC(C)N(C(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1)C(C)C ZINC000248639603 509409162 /nfs/dbraw/zinc/40/91/62/509409162.db2.gz BIHAKXJFPBZQJM-ICSRJNTNSA-N 2 2 360.546 2.869 10 0 FFAELP CC(C)N(C(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1)C(C)C ZINC000248639603 509409168 /nfs/dbraw/zinc/40/91/68/509409168.db2.gz BIHAKXJFPBZQJM-ICSRJNTNSA-N 2 2 360.546 2.869 10 0 FFAELP CC(C)N(C(=O)[C@H](C)[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1)C(C)C ZINC000248639603 509409174 /nfs/dbraw/zinc/40/91/74/509409174.db2.gz BIHAKXJFPBZQJM-ICSRJNTNSA-N 2 2 360.546 2.869 10 0 FFAELP CC(C)N(C(=O)[C@H](C)[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1)C(C)C ZINC000248639603 509409179 /nfs/dbraw/zinc/40/91/79/509409179.db2.gz BIHAKXJFPBZQJM-ICSRJNTNSA-N 2 2 360.546 2.869 10 0 FFAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC2CCCC2)C1 ZINC000248646035 509413413 /nfs/dbraw/zinc/41/34/13/509413413.db2.gz GXWLHIFBWYTLSU-CVEARBPZSA-N 2 2 364.559 2.653 10 0 FFAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)NC2CCCC2)C1 ZINC000248646035 509413423 /nfs/dbraw/zinc/41/34/23/509413423.db2.gz GXWLHIFBWYTLSU-CVEARBPZSA-N 2 2 364.559 2.653 10 0 FFAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)NC2CCCC2)C1 ZINC000248646035 509413429 /nfs/dbraw/zinc/41/34/29/509413429.db2.gz GXWLHIFBWYTLSU-CVEARBPZSA-N 2 2 364.559 2.653 10 0 FFAELP NC(=O)[C@@H](Cc1ccc(Cl)cc1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000248849939 509510609 /nfs/dbraw/zinc/51/06/09/509510609.db2.gz AOPKDBKUQQRQLI-DOTOQJQBSA-N 2 2 358.873 2.565 10 0 FFAELP NC(=O)[C@@H](Cc1ccc(Cl)cc1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000248849939 509510613 /nfs/dbraw/zinc/51/06/13/509510613.db2.gz AOPKDBKUQQRQLI-DOTOQJQBSA-N 2 2 358.873 2.565 10 0 FFAELP COc1ccc([C@H](C)[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)cc1OC ZINC000173315914 509527348 /nfs/dbraw/zinc/52/73/48/509527348.db2.gz MKCFHNAULVMWFT-JXFKEZNVSA-N 2 2 370.493 2.774 10 0 FFAELP COc1ccc([C@H](C)[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)cc1OC ZINC000173315914 509527355 /nfs/dbraw/zinc/52/73/55/509527355.db2.gz MKCFHNAULVMWFT-JXFKEZNVSA-N 2 2 370.493 2.774 10 0 FFAELP Cc1[nH+]ccn1CCCCNC(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000173367609 509557340 /nfs/dbraw/zinc/55/73/40/509557340.db2.gz MAWZVQGSOYOBPH-UHFFFAOYSA-N 2 2 370.501 2.643 10 0 FFAELP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H](F)C[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248994414 509567477 /nfs/dbraw/zinc/56/74/77/509567477.db2.gz KHUVBUTVYRTVFG-WBQNTZJQSA-N 2 2 371.859 2.819 10 0 FFAELP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H](F)C[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248994414 509567481 /nfs/dbraw/zinc/56/74/81/509567481.db2.gz KHUVBUTVYRTVFG-WBQNTZJQSA-N 2 2 371.859 2.819 10 0 FFAELP O[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C[NH+]1CCCCC1 ZINC000192721992 509613755 /nfs/dbraw/zinc/61/37/55/509613755.db2.gz WYXZXQXEYWMGDI-LQCXBHPOSA-N 3 2 357.542 2.618 10 0 FFAELP O[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C[NH+]1CCCCC1 ZINC000192721992 509613764 /nfs/dbraw/zinc/61/37/64/509613764.db2.gz WYXZXQXEYWMGDI-LQCXBHPOSA-N 3 2 357.542 2.618 10 0 FFAELP C[C@@]1(CNC(=O)[C@H]2CCCn3cc[nH+]c32)CCC[N@@H+]1Cc1ccccc1 ZINC000249200677 509634195 /nfs/dbraw/zinc/63/41/95/509634195.db2.gz CZQJPRSISTVMNF-RXVVDRJESA-N 2 2 352.482 2.931 10 0 FFAELP C[C@@]1(CNC(=O)[C@H]2CCCn3cc[nH+]c32)CCC[N@H+]1Cc1ccccc1 ZINC000249200677 509634199 /nfs/dbraw/zinc/63/41/99/509634199.db2.gz CZQJPRSISTVMNF-RXVVDRJESA-N 2 2 352.482 2.931 10 0 FFAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](Cc3ccc(Cl)s3)CC2)C1 ZINC000170941507 509860084 /nfs/dbraw/zinc/86/00/84/509860084.db2.gz TZFRBUZRAQDFBZ-HNNXBMFYSA-N 2 2 357.951 2.628 10 0 FFAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](Cc3ccc(Cl)s3)CC2)C1 ZINC000170941507 509860092 /nfs/dbraw/zinc/86/00/92/509860092.db2.gz TZFRBUZRAQDFBZ-HNNXBMFYSA-N 2 2 357.951 2.628 10 0 FFAELP C[C@@H](CCNc1cc(N2CCC[C@H]2CO)nc[nH+]1)[N@H+](C)Cc1ccccc1 ZINC000245416535 509917151 /nfs/dbraw/zinc/91/71/51/509917151.db2.gz IHCBLLCAYXMMSY-HKUYNNGSSA-N 2 2 369.513 2.760 10 0 FFAELP C[C@@H](CCNc1cc(N2CCC[C@H]2CO)nc[nH+]1)[N@@H+](C)Cc1ccccc1 ZINC000245416535 509917156 /nfs/dbraw/zinc/91/71/56/509917156.db2.gz IHCBLLCAYXMMSY-HKUYNNGSSA-N 2 2 369.513 2.760 10 0 FFAELP C[C@@H](CCNc1cc(N2CCC[C@H]2CO)[nH+]cn1)[N@H+](C)Cc1ccccc1 ZINC000245416535 509917164 /nfs/dbraw/zinc/91/71/64/509917164.db2.gz IHCBLLCAYXMMSY-HKUYNNGSSA-N 2 2 369.513 2.760 10 0 FFAELP C[C@@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1cccs1 ZINC000171112393 509950450 /nfs/dbraw/zinc/95/04/50/509950450.db2.gz LRTZASGTCICBPK-OAHLLOKOSA-N 2 2 359.495 2.870 10 0 FFAELP C[C@H](NC(=O)[C@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1cccc2ccccc21 ZINC000193656880 510008818 /nfs/dbraw/zinc/00/88/18/510008818.db2.gz ANNRXZFCSCLLBC-PBWTXFEYSA-N 2 2 351.494 2.899 10 0 FFAELP C[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1cccc2ccccc21 ZINC000193656880 510008824 /nfs/dbraw/zinc/00/88/24/510008824.db2.gz ANNRXZFCSCLLBC-PBWTXFEYSA-N 2 2 351.494 2.899 10 0 FFAELP C[C@H](NC(=O)[C@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1)c1cccc2ccccc21 ZINC000193656880 510008831 /nfs/dbraw/zinc/00/88/31/510008831.db2.gz ANNRXZFCSCLLBC-PBWTXFEYSA-N 2 2 351.494 2.899 10 0 FFAELP C[C@H](NC(=O)[C@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1)c1cccc2ccccc21 ZINC000193656880 510008837 /nfs/dbraw/zinc/00/88/37/510008837.db2.gz ANNRXZFCSCLLBC-PBWTXFEYSA-N 2 2 351.494 2.899 10 0 FFAELP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2ccc(OC)c(Cl)c2)nc[nH+]1 ZINC000174360698 510077805 /nfs/dbraw/zinc/07/78/05/510077805.db2.gz VXFXPLSNYDBQAA-CQSZACIVSA-N 2 2 361.877 2.939 10 0 FFAELP COC(=O)c1cc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)oc1C ZINC000190491824 510163258 /nfs/dbraw/zinc/16/32/58/510163258.db2.gz AYVQNWUKTNYFRO-QGZVFWFLSA-N 2 2 357.454 2.724 10 0 FFAELP COC(=O)c1cc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)oc1C ZINC000190491824 510163265 /nfs/dbraw/zinc/16/32/65/510163265.db2.gz AYVQNWUKTNYFRO-QGZVFWFLSA-N 2 2 357.454 2.724 10 0 FFAELP COC(=O)c1cc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)oc1C ZINC000190491824 510163269 /nfs/dbraw/zinc/16/32/69/510163269.db2.gz AYVQNWUKTNYFRO-QGZVFWFLSA-N 2 2 357.454 2.724 10 0 FFAELP COC(=O)c1cc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)oc1C ZINC000190491824 510163273 /nfs/dbraw/zinc/16/32/73/510163273.db2.gz AYVQNWUKTNYFRO-QGZVFWFLSA-N 2 2 357.454 2.724 10 0 FFAELP Cc1ccc2[nH+]c(CSCC(=O)N3CCC[C@@H]3Cn3cc[nH+]c3)cn2c1 ZINC000177768619 510241017 /nfs/dbraw/zinc/24/10/17/510241017.db2.gz DEYMULGXDBGNDL-QGZVFWFLSA-N 2 2 369.494 2.764 10 0 FFAELP C[C@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171643338 510272223 /nfs/dbraw/zinc/27/22/23/510272223.db2.gz NJUBDFGXEXMKCO-HZPDHXFCSA-N 2 2 370.522 2.850 10 0 FFAELP C[C@H](C(=O)N1CCc2sccc2C1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171643338 510272228 /nfs/dbraw/zinc/27/22/28/510272228.db2.gz NJUBDFGXEXMKCO-HZPDHXFCSA-N 2 2 370.522 2.850 10 0 FFAELP Cc1csc2nc(C[N@@H+]3CC[C@H](CNc4cccc(C)[nH+]4)C3)cc(=O)n12 ZINC000171652201 510282305 /nfs/dbraw/zinc/28/23/05/510282305.db2.gz AOMRSFIRUWKHKO-OAHLLOKOSA-N 2 2 369.494 2.702 10 0 FFAELP Cc1csc2nc(C[N@H+]3CC[C@H](CNc4cccc(C)[nH+]4)C3)cc(=O)n12 ZINC000171652201 510282310 /nfs/dbraw/zinc/28/23/10/510282310.db2.gz AOMRSFIRUWKHKO-OAHLLOKOSA-N 2 2 369.494 2.702 10 0 FFAELP CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000177885113 510310041 /nfs/dbraw/zinc/31/00/41/510310041.db2.gz XUWSCHMVSGOZDB-IRXDYDNUSA-N 2 2 355.486 2.917 10 0 FFAELP CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000177885113 510310046 /nfs/dbraw/zinc/31/00/46/510310046.db2.gz XUWSCHMVSGOZDB-IRXDYDNUSA-N 2 2 355.486 2.917 10 0 FFAELP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)N3CC[NH+]4CCC[C@@H]4C3)c2C1 ZINC000171756958 510351099 /nfs/dbraw/zinc/35/10/99/510351099.db2.gz YSDMXJFAXFVRCH-MRXNPFEDSA-N 2 2 364.493 2.533 10 0 FFAELP CC[N@H+]1CCc2nc3ccccc3c(C(=O)N3CC[NH+]4CCC[C@@H]4C3)c2C1 ZINC000171756958 510351104 /nfs/dbraw/zinc/35/11/04/510351104.db2.gz YSDMXJFAXFVRCH-MRXNPFEDSA-N 2 2 364.493 2.533 10 0 FFAELP CC[NH+]1CCc2nc3ccccc3c(C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)c2C1 ZINC000171756958 510351110 /nfs/dbraw/zinc/35/11/10/510351110.db2.gz YSDMXJFAXFVRCH-MRXNPFEDSA-N 2 2 364.493 2.533 10 0 FFAELP CC[NH+]1CCc2nc3ccccc3c(C(=O)N3CC[N@H+]4CCC[C@@H]4C3)c2C1 ZINC000171756958 510351113 /nfs/dbraw/zinc/35/11/13/510351113.db2.gz YSDMXJFAXFVRCH-MRXNPFEDSA-N 2 2 364.493 2.533 10 0 FFAELP CCc1ccc(NC(=O)[C@H](C)[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)cc1 ZINC000174895753 510372308 /nfs/dbraw/zinc/37/23/08/510372308.db2.gz DHWIVLIUOBRQNY-RXVVDRJESA-N 2 2 372.557 2.678 10 0 FFAELP CCc1ccc(NC(=O)[C@H](C)[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)cc1 ZINC000174895753 510372315 /nfs/dbraw/zinc/37/23/15/510372315.db2.gz DHWIVLIUOBRQNY-RXVVDRJESA-N 2 2 372.557 2.678 10 0 FFAELP O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262700031 510375703 /nfs/dbraw/zinc/37/57/03/510375703.db2.gz BZANNNLNEXUVQQ-CQSZACIVSA-N 2 2 370.844 2.899 10 0 FFAELP C[C@@H](c1ccc(S(C)(=O)=O)cc1)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000187683740 510385262 /nfs/dbraw/zinc/38/52/62/510385262.db2.gz XMBAJLSJADNBQG-HNNXBMFYSA-N 2 2 361.511 2.839 10 0 FFAELP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1nnc(C2CC2)n1C ZINC000184744329 510495032 /nfs/dbraw/zinc/49/50/32/510495032.db2.gz UVIFYXPJNASKDF-HZPDHXFCSA-N 2 2 353.514 2.939 10 0 FFAELP Cc1nc2ccccc2nc1C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000172162534 510577615 /nfs/dbraw/zinc/57/76/15/510577615.db2.gz SNUAJOFAHQFXBK-UHFFFAOYSA-N 2 2 364.497 2.731 10 0 FFAELP Cc1nc2ccccc2nc1C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000172162534 510577625 /nfs/dbraw/zinc/57/76/25/510577625.db2.gz SNUAJOFAHQFXBK-UHFFFAOYSA-N 2 2 364.497 2.731 10 0 FFAELP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1)C2 ZINC000246746071 510650021 /nfs/dbraw/zinc/65/00/21/510650021.db2.gz MNBDUWOWSOYRFK-JKSUJKDBSA-N 2 2 361.534 2.732 10 0 FFAELP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1)C2 ZINC000246746071 510650022 /nfs/dbraw/zinc/65/00/22/510650022.db2.gz MNBDUWOWSOYRFK-JKSUJKDBSA-N 2 2 361.534 2.732 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NC[C@H](C)Cn2cc[nH+]c2C)C1 ZINC000172457656 510735873 /nfs/dbraw/zinc/73/58/73/510735873.db2.gz ONMQCRIJINPZRR-RDJZCZTQSA-N 2 2 358.490 2.633 10 0 FFAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N(C)c2ccccc2)C1 ZINC000195259240 510742419 /nfs/dbraw/zinc/74/24/19/510742419.db2.gz AQXZPIFCHACEJH-QGZVFWFLSA-N 2 2 372.538 2.868 10 0 FFAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](CC(=O)N(C)c2ccccc2)C1 ZINC000195259240 510742426 /nfs/dbraw/zinc/74/24/26/510742426.db2.gz AQXZPIFCHACEJH-QGZVFWFLSA-N 2 2 372.538 2.868 10 0 FFAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N(C)c2ccccc2)C1 ZINC000195259240 510742433 /nfs/dbraw/zinc/74/24/33/510742433.db2.gz AQXZPIFCHACEJH-QGZVFWFLSA-N 2 2 372.538 2.868 10 0 FFAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](CC(=O)N(C)c2ccccc2)C1 ZINC000195259240 510742441 /nfs/dbraw/zinc/74/24/41/510742441.db2.gz AQXZPIFCHACEJH-QGZVFWFLSA-N 2 2 372.538 2.868 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NCc2cn3c(cccc3C)[nH+]2)C1 ZINC000172464776 510743038 /nfs/dbraw/zinc/74/30/38/510743038.db2.gz ATNGGZRXXXFQDC-QGZVFWFLSA-N 2 2 366.469 2.948 10 0 FFAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC(C)(C)C)C1 ZINC000195268415 510747848 /nfs/dbraw/zinc/74/78/48/510747848.db2.gz CANDHDACAIFHBD-GJZGRUSLSA-N 2 2 352.548 2.508 10 0 FFAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC(C)(C)C)C1 ZINC000195268415 510747853 /nfs/dbraw/zinc/74/78/53/510747853.db2.gz CANDHDACAIFHBD-GJZGRUSLSA-N 2 2 352.548 2.508 10 0 FFAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)NC(C)(C)C)C1 ZINC000195268415 510747858 /nfs/dbraw/zinc/74/78/58/510747858.db2.gz CANDHDACAIFHBD-GJZGRUSLSA-N 2 2 352.548 2.508 10 0 FFAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)NC(C)(C)C)C1 ZINC000195268415 510747864 /nfs/dbraw/zinc/74/78/64/510747864.db2.gz CANDHDACAIFHBD-GJZGRUSLSA-N 2 2 352.548 2.508 10 0 FFAELP CN(C)c1cc(NC(=O)N(C)[C@@H]2CCC[NH2+]CC2)[nH+]cc1Br ZINC000333298147 511195446 /nfs/dbraw/zinc/19/54/46/511195446.db2.gz KBJPXCQMAQQTBK-LLVKDONJSA-N 2 2 370.295 2.516 10 0 FFAELP CCn1nc(C)c([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1C ZINC000484135352 516302308 /nfs/dbraw/zinc/30/23/08/516302308.db2.gz RQMQWNHGDDXEFE-IERDGZPVSA-N 2 2 356.514 2.807 10 0 FFAELP CCn1nc(C)c([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000484135352 516302314 /nfs/dbraw/zinc/30/23/14/516302314.db2.gz RQMQWNHGDDXEFE-IERDGZPVSA-N 2 2 356.514 2.807 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)N(C)Cc2ccccc2F)C1 ZINC000106215968 250257288 /nfs/dbraw/zinc/25/72/88/250257288.db2.gz GAIVEPXEKMTLPX-KRWDZBQOSA-N 2 2 358.461 2.880 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)N(C)Cc2ccccc2F)C1 ZINC000106215968 250257291 /nfs/dbraw/zinc/25/72/91/250257291.db2.gz GAIVEPXEKMTLPX-KRWDZBQOSA-N 2 2 358.461 2.880 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000106217266 250259833 /nfs/dbraw/zinc/25/98/33/250259833.db2.gz VSJZZZOAGYNTIN-GOEBONIOSA-N 2 2 370.453 2.838 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000106217266 250259839 /nfs/dbraw/zinc/25/98/39/250259839.db2.gz VSJZZZOAGYNTIN-GOEBONIOSA-N 2 2 370.453 2.838 10 0 FFAELP Cc1cccc(N2CCC(NC(=O)NC[C@H](c3ccco3)[NH+](C)C)CC2)[nH+]1 ZINC000117024773 250331172 /nfs/dbraw/zinc/33/11/72/250331172.db2.gz NIBJMOPXWSRYDM-QGZVFWFLSA-N 2 2 371.485 2.554 10 0 FFAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+]([C@@H](C)c3nc4ccccc4o3)CC2)C1 ZINC000181095572 251239494 /nfs/dbraw/zinc/23/94/94/251239494.db2.gz XCXLNIUDHVUEMK-ZWKOTPCHSA-N 2 2 372.513 2.616 10 0 FFAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+]([C@@H](C)c3nc4ccccc4o3)CC2)C1 ZINC000181095572 251239497 /nfs/dbraw/zinc/23/94/97/251239497.db2.gz XCXLNIUDHVUEMK-ZWKOTPCHSA-N 2 2 372.513 2.616 10 0 FFAELP CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000301644741 258060472 /nfs/dbraw/zinc/06/04/72/258060472.db2.gz HMVBOYXYVIDAQD-ROUUACIJSA-N 2 2 369.465 2.548 10 0 FFAELP CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000301644741 258060473 /nfs/dbraw/zinc/06/04/73/258060473.db2.gz HMVBOYXYVIDAQD-ROUUACIJSA-N 2 2 369.465 2.548 10 0 FFAELP C[C@H]1C[C@H](N(C)C(=O)Nc2ccc3c(c2)C[NH+](CC(N)=O)CC3)CC[N@@H+]1C ZINC000333037264 258246336 /nfs/dbraw/zinc/24/63/36/258246336.db2.gz NSBHUTYDJXQLMS-KBXCAEBGSA-N 2 2 373.501 2.526 10 0 FFAELP C[C@H]1C[C@H](N(C)C(=O)Nc2ccc3c(c2)C[NH+](CC(N)=O)CC3)CC[N@H+]1C ZINC000333037264 258246337 /nfs/dbraw/zinc/24/63/37/258246337.db2.gz NSBHUTYDJXQLMS-KBXCAEBGSA-N 2 2 373.501 2.526 10 0 FFAELP C[C@H]1C[C@H](N(C)C(=O)Nc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)CC[NH+]1C ZINC000333037264 258246338 /nfs/dbraw/zinc/24/63/38/258246338.db2.gz NSBHUTYDJXQLMS-KBXCAEBGSA-N 2 2 373.501 2.526 10 0 FFAELP C[C@H]1C[C@H](N(C)C(=O)Nc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)CC[NH+]1C ZINC000333037264 258246339 /nfs/dbraw/zinc/24/63/39/258246339.db2.gz NSBHUTYDJXQLMS-KBXCAEBGSA-N 2 2 373.501 2.526 10 0 FFAELP CCc1[nH+]c(C)nc(N2CC[NH+](C[C@H](C)O)CC2)c1Cc1ccc(C)cc1 ZINC000036340645 506401610 /nfs/dbraw/zinc/40/16/10/506401610.db2.gz JYVGZERWJHHAFA-KRWDZBQOSA-N 2 2 368.525 2.749 10 0 FFAELP C[C@H](NC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000073717009 507948452 /nfs/dbraw/zinc/94/84/52/507948452.db2.gz STSAXWMDEJPTDR-HOTGVXAUSA-N 2 2 353.470 2.717 10 0 FFAELP C[C@H](NC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000073717009 507948454 /nfs/dbraw/zinc/94/84/54/507948454.db2.gz STSAXWMDEJPTDR-HOTGVXAUSA-N 2 2 353.470 2.717 10 0 FFAELP C[C@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1nc2ccccc2n1C ZINC000091284208 507979092 /nfs/dbraw/zinc/97/90/92/507979092.db2.gz HJMFBXAMSCBWRY-LPHOPBHVSA-N 2 2 364.493 2.643 10 0 FFAELP C[C@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1nc2ccccc2n1C ZINC000091284208 507979094 /nfs/dbraw/zinc/97/90/94/507979094.db2.gz HJMFBXAMSCBWRY-LPHOPBHVSA-N 2 2 364.493 2.643 10 0 FFAELP CCc1nc(C[N@H+](C)CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)no1 ZINC000111228423 508079226 /nfs/dbraw/zinc/07/92/26/508079226.db2.gz AXUHBIHYFYJTQB-GOSISDBHSA-N 2 2 358.486 2.509 10 0 FFAELP CCc1nc(C[N@@H+](C)CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)no1 ZINC000111228423 508079227 /nfs/dbraw/zinc/07/92/27/508079227.db2.gz AXUHBIHYFYJTQB-GOSISDBHSA-N 2 2 358.486 2.509 10 0 FFAELP COc1ccc(OC)c([C@H](C)[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000098143853 508237289 /nfs/dbraw/zinc/23/72/89/508237289.db2.gz BEOMYTIUVWXQMI-LPHOPBHVSA-N 2 2 370.493 2.774 10 0 FFAELP COc1ccc(OC)c([C@H](C)[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000098143853 508237292 /nfs/dbraw/zinc/23/72/92/508237292.db2.gz BEOMYTIUVWXQMI-LPHOPBHVSA-N 2 2 370.493 2.774 10 0 FFAELP CC[C@@H](O)C[NH+]1CCN(C(=O)c2ccc(C)c(Oc3cc[nH+]cc3)c2)CC1 ZINC000115373197 508388732 /nfs/dbraw/zinc/38/87/32/508388732.db2.gz KTODIVHSFFNNCT-GOSISDBHSA-N 2 2 369.465 2.711 10 0 FFAELP CCN(CC)c1ccc(CNC(=O)[C@H](Cc2ccccc2)[NH+](C)C)c[nH+]1 ZINC000106432359 508400783 /nfs/dbraw/zinc/40/07/83/508400783.db2.gz DPPWNDOJRGQPJQ-IBGZPJMESA-N 2 2 354.498 2.717 10 0 FFAELP CC(C)[N@H+]1C[C@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)[C@@H](C)C1 ZINC000157499872 508574857 /nfs/dbraw/zinc/57/48/57/508574857.db2.gz HWJBCWFRNJSDSA-WMZOPIPTSA-N 2 2 359.518 2.600 10 0 FFAELP CC(C)[N@@H+]1C[C@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)[C@@H](C)C1 ZINC000157499872 508574858 /nfs/dbraw/zinc/57/48/58/508574858.db2.gz HWJBCWFRNJSDSA-WMZOPIPTSA-N 2 2 359.518 2.600 10 0 FFAELP COc1ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)cc1Br ZINC000151245381 508985678 /nfs/dbraw/zinc/98/56/78/508985678.db2.gz BXQZEDWPBFAWSN-DZGCQCFKSA-N 2 2 371.319 2.955 10 0 FFAELP Cc1c([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)cnn1-c1ccc(F)cc1 ZINC000151276895 508991897 /nfs/dbraw/zinc/99/18/97/508991897.db2.gz HERNLUCPOAHWRF-DNVCBOLYSA-N 2 2 360.477 2.817 10 0 FFAELP Cc1ccc2[nH+]ccc(N3CCN(C[C@@H]4C[N@H+](C(C)C)CCO4)CC3)c2c1 ZINC000185641510 509279164 /nfs/dbraw/zinc/27/91/64/509279164.db2.gz NCAZRSRBVWCKGF-LJQANCHMSA-N 2 2 368.525 2.774 10 0 FFAELP Cc1ccc2[nH+]ccc(N3CCN(C[C@@H]4C[N@@H+](C(C)C)CCO4)CC3)c2c1 ZINC000185641510 509279171 /nfs/dbraw/zinc/27/91/71/509279171.db2.gz NCAZRSRBVWCKGF-LJQANCHMSA-N 2 2 368.525 2.774 10 0 FFAELP Cc1ccc2[nH+]ccc(N3CC[NH+](C[C@@H]4CN(C(C)C)CCO4)CC3)c2c1 ZINC000185641510 509279176 /nfs/dbraw/zinc/27/91/76/509279176.db2.gz NCAZRSRBVWCKGF-LJQANCHMSA-N 2 2 368.525 2.774 10 0 FFAELP CCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000248660779 509424796 /nfs/dbraw/zinc/42/47/96/509424796.db2.gz WJOZDOVWBKASDA-HOTGVXAUSA-N 2 2 352.548 2.510 10 0 FFAELP CCCCNC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000248660779 509424805 /nfs/dbraw/zinc/42/48/05/509424805.db2.gz WJOZDOVWBKASDA-HOTGVXAUSA-N 2 2 352.548 2.510 10 0 FFAELP CCCCNC(=O)[C@H](C)[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000248660779 509424812 /nfs/dbraw/zinc/42/48/12/509424812.db2.gz WJOZDOVWBKASDA-HOTGVXAUSA-N 2 2 352.548 2.510 10 0 FFAELP CCCCNC(=O)[C@H](C)[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000248660779 509424822 /nfs/dbraw/zinc/42/48/22/509424822.db2.gz WJOZDOVWBKASDA-HOTGVXAUSA-N 2 2 352.548 2.510 10 0 FFAELP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH2+]Cc4nnc5n4CCCC5)[C@H]3C2)cc1 ZINC000248898938 509535393 /nfs/dbraw/zinc/53/53/93/509535393.db2.gz WFAICGLIBIJGSB-GBESFXJTSA-N 2 2 351.498 2.615 10 0 FFAELP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH2+]Cc4nnc5n4CCCC5)[C@H]3C2)cc1 ZINC000248898938 509535402 /nfs/dbraw/zinc/53/54/02/509535402.db2.gz WFAICGLIBIJGSB-GBESFXJTSA-N 2 2 351.498 2.615 10 0 FFAELP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@H]2C[C@H](F)C[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248994411 509568242 /nfs/dbraw/zinc/56/82/42/509568242.db2.gz KHUVBUTVYRTVFG-KKBVYLPWSA-N 2 2 371.859 2.819 10 0 FFAELP CC(C)[N@H+]1CC[C@H](NC(=O)[C@H]2C[C@H](F)C[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248994411 509568251 /nfs/dbraw/zinc/56/82/51/509568251.db2.gz KHUVBUTVYRTVFG-KKBVYLPWSA-N 2 2 371.859 2.819 10 0 FFAELP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)CCC2 ZINC000192721888 509613050 /nfs/dbraw/zinc/61/30/50/509613050.db2.gz OVHOZPDDHNTFTE-HZPDHXFCSA-N 2 2 364.486 2.579 10 0 FFAELP C[N@H+](CCCn1cc[nH+]c1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000183175591 509641471 /nfs/dbraw/zinc/64/14/71/509641471.db2.gz RRDQWPTUZOWMEV-NRFANRHFSA-N 3 2 356.514 2.651 10 0 FFAELP C[N@@H+](CCCn1cc[nH+]c1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000183175591 509641480 /nfs/dbraw/zinc/64/14/80/509641480.db2.gz RRDQWPTUZOWMEV-NRFANRHFSA-N 3 2 356.514 2.651 10 0 FFAELP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186360784 509669454 /nfs/dbraw/zinc/66/94/54/509669454.db2.gz XVCUFTULSNYARJ-LJQANCHMSA-N 2 2 373.545 2.958 10 0 FFAELP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186360784 509669465 /nfs/dbraw/zinc/66/94/65/509669465.db2.gz XVCUFTULSNYARJ-LJQANCHMSA-N 2 2 373.545 2.958 10 0 FFAELP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000245480971 509959362 /nfs/dbraw/zinc/95/93/62/509959362.db2.gz XUSQUTWTNBGNFY-ZWKOTPCHSA-N 2 2 373.476 2.774 10 0 FFAELP CC[N@H+]1CCC[C@H]1CN(C)C(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000245480971 509959367 /nfs/dbraw/zinc/95/93/67/509959367.db2.gz XUSQUTWTNBGNFY-ZWKOTPCHSA-N 2 2 373.476 2.774 10 0 FFAELP C[C@@H](NC(=O)[C@@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1ccc2ccccc2c1 ZINC000193610808 509990562 /nfs/dbraw/zinc/99/05/62/509990562.db2.gz FMQPSSTYBMKIMX-NBJYBMASSA-N 2 2 351.494 2.899 10 0 FFAELP C[C@@H](NC(=O)[C@@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1ccc2ccccc2c1 ZINC000193610808 509990569 /nfs/dbraw/zinc/99/05/69/509990569.db2.gz FMQPSSTYBMKIMX-NBJYBMASSA-N 2 2 351.494 2.899 10 0 FFAELP C[C@@H](NC(=O)[C@@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1)c1ccc2ccccc2c1 ZINC000193610808 509990575 /nfs/dbraw/zinc/99/05/75/509990575.db2.gz FMQPSSTYBMKIMX-NBJYBMASSA-N 2 2 351.494 2.899 10 0 FFAELP C[C@@H](NC(=O)[C@@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1)c1ccc2ccccc2c1 ZINC000193610808 509990581 /nfs/dbraw/zinc/99/05/81/509990581.db2.gz FMQPSSTYBMKIMX-NBJYBMASSA-N 2 2 351.494 2.899 10 0 FFAELP C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193610791 509990876 /nfs/dbraw/zinc/99/08/76/509990876.db2.gz FMQPSSTYBMKIMX-LXDRIQHSSA-N 2 2 351.494 2.899 10 0 FFAELP C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193610791 509990883 /nfs/dbraw/zinc/99/08/83/509990883.db2.gz FMQPSSTYBMKIMX-LXDRIQHSSA-N 2 2 351.494 2.899 10 0 FFAELP C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193610791 509990889 /nfs/dbraw/zinc/99/08/89/509990889.db2.gz FMQPSSTYBMKIMX-LXDRIQHSSA-N 2 2 351.494 2.899 10 0 FFAELP C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193610791 509990893 /nfs/dbraw/zinc/99/08/93/509990893.db2.gz FMQPSSTYBMKIMX-LXDRIQHSSA-N 2 2 351.494 2.899 10 0 FFAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2ccc(-n3ccnc3)nc2)C1 ZINC000190479217 510154032 /nfs/dbraw/zinc/15/40/32/510154032.db2.gz OPUQXSABUSHCOW-FQEVSTJZSA-N 2 2 362.481 2.616 10 0 FFAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2ccc(-n3ccnc3)nc2)C1 ZINC000190479217 510154035 /nfs/dbraw/zinc/15/40/35/510154035.db2.gz OPUQXSABUSHCOW-FQEVSTJZSA-N 2 2 362.481 2.616 10 0 FFAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](Cc2ccc(-n3ccnc3)nc2)C1 ZINC000190479217 510154043 /nfs/dbraw/zinc/15/40/43/510154043.db2.gz OPUQXSABUSHCOW-FQEVSTJZSA-N 2 2 362.481 2.616 10 0 FFAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](Cc2ccc(-n3ccnc3)nc2)C1 ZINC000190479217 510154048 /nfs/dbraw/zinc/15/40/48/510154048.db2.gz OPUQXSABUSHCOW-FQEVSTJZSA-N 2 2 362.481 2.616 10 0 FFAELP Cc1nn(C)c2ncc(C[N@@H+]3CC[C@@H](C[NH+](C)Cc4cccnc4)C3)cc12 ZINC000190480237 510156434 /nfs/dbraw/zinc/15/64/34/510156434.db2.gz LWUPQCNTCBPETR-SFHVURJKSA-N 2 2 364.497 2.626 10 0 FFAELP Cc1nn(C)c2ncc(C[N@H+]3CC[C@@H](C[NH+](C)Cc4cccnc4)C3)cc12 ZINC000190480237 510156439 /nfs/dbraw/zinc/15/64/39/510156439.db2.gz LWUPQCNTCBPETR-SFHVURJKSA-N 2 2 364.497 2.626 10 0 FFAELP Cc1nn(C)c2ncc(C[NH+]3CC[C@@H](C[N@H+](C)Cc4cccnc4)C3)cc12 ZINC000190480237 510156442 /nfs/dbraw/zinc/15/64/42/510156442.db2.gz LWUPQCNTCBPETR-SFHVURJKSA-N 2 2 364.497 2.626 10 0 FFAELP Cc1nn(C)c2ncc(C[NH+]3CC[C@@H](C[N@@H+](C)Cc4cccnc4)C3)cc12 ZINC000190480237 510156447 /nfs/dbraw/zinc/15/64/47/510156447.db2.gz LWUPQCNTCBPETR-SFHVURJKSA-N 2 2 364.497 2.626 10 0 FFAELP O[C@@H](C[NH2+][C@@H]1CCc2ccc(Br)cc21)C[NH+]1CCCCC1 ZINC000193977647 510156930 /nfs/dbraw/zinc/15/69/30/510156930.db2.gz OTCGOCMGQXUFRH-DOTOQJQBSA-N 2 2 353.304 2.873 10 0 FFAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+]([C@@H]3CCc4ccc(F)cc43)CC2)C1 ZINC000177710344 510210248 /nfs/dbraw/zinc/21/02/48/510210248.db2.gz QSFSQIQCPMJELO-PZJWPPBQSA-N 2 2 361.505 2.540 10 0 FFAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+]([C@@H]3CCc4ccc(F)cc43)CC2)C1 ZINC000177710344 510210254 /nfs/dbraw/zinc/21/02/54/510210254.db2.gz QSFSQIQCPMJELO-PZJWPPBQSA-N 2 2 361.505 2.540 10 0 FFAELP O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177748875 510232393 /nfs/dbraw/zinc/23/23/93/510232393.db2.gz ISHABXHRVCEQHG-WOJBJXKFSA-N 2 2 352.482 2.786 10 0 FFAELP O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177748875 510232401 /nfs/dbraw/zinc/23/24/01/510232401.db2.gz ISHABXHRVCEQHG-WOJBJXKFSA-N 2 2 352.482 2.786 10 0 FFAELP C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171646552 510275889 /nfs/dbraw/zinc/27/58/89/510275889.db2.gz HBAYTPLKPVUGLE-LSDHHAIUSA-N 2 2 368.437 2.571 10 0 FFAELP C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171646552 510275895 /nfs/dbraw/zinc/27/58/95/510275895.db2.gz HBAYTPLKPVUGLE-LSDHHAIUSA-N 2 2 368.437 2.571 10 0 FFAELP Cc1nc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)sc1C ZINC000246156922 510327430 /nfs/dbraw/zinc/32/74/30/510327430.db2.gz QGZLOKWRUIWTNE-HIFRSBDPSA-N 2 2 359.499 2.916 10 0 FFAELP Cc1nc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)sc1C ZINC000246156922 510327440 /nfs/dbraw/zinc/32/74/40/510327440.db2.gz QGZLOKWRUIWTNE-HIFRSBDPSA-N 2 2 359.499 2.916 10 0 FFAELP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000246325669 510426822 /nfs/dbraw/zinc/42/68/22/510426822.db2.gz FVIAEGKVZFGBOV-FUHWJXTLSA-N 2 2 371.485 2.812 10 0 FFAELP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000175032076 510448536 /nfs/dbraw/zinc/44/85/36/510448536.db2.gz SPLVQRGFTSPDTQ-QZTJIDSGSA-N 2 2 372.538 2.961 10 0 FFAELP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000175032076 510448544 /nfs/dbraw/zinc/44/85/44/510448544.db2.gz SPLVQRGFTSPDTQ-QZTJIDSGSA-N 2 2 372.538 2.961 10 0 FFAELP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000263192572 510605019 /nfs/dbraw/zinc/60/50/19/510605019.db2.gz IBMHLEUXEUTWLF-LKFCYVNXSA-N 2 2 358.294 2.787 10 0 FFAELP C[C@H](NC(=O)NCC[NH+]1CCC(C)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000175474421 510660420 /nfs/dbraw/zinc/66/04/20/510660420.db2.gz FPECSYCXUIXHDP-KRWDZBQOSA-N 2 2 355.486 2.964 10 0 FFAELP C[C@@H]1CCC[C@H](NC(=O)C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)[C@@H]1C ZINC000195294537 510768316 /nfs/dbraw/zinc/76/83/16/510768316.db2.gz VIMLALAYHZILLO-UKAVVXHISA-N 2 2 372.557 2.776 10 0 FFAELP C[C@@H]1CCC[C@H](NC(=O)C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)[C@@H]1C ZINC000195294537 510768321 /nfs/dbraw/zinc/76/83/21/510768321.db2.gz VIMLALAYHZILLO-UKAVVXHISA-N 2 2 372.557 2.776 10 0 FFAELP C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)[C@@H]1C ZINC000195294537 510768323 /nfs/dbraw/zinc/76/83/23/510768323.db2.gz VIMLALAYHZILLO-UKAVVXHISA-N 2 2 372.557 2.776 10 0 FFAELP C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)[C@@H]1C ZINC000195294537 510768330 /nfs/dbraw/zinc/76/83/30/510768330.db2.gz VIMLALAYHZILLO-UKAVVXHISA-N 2 2 372.557 2.776 10 0 FFAELP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000247106562 510835806 /nfs/dbraw/zinc/83/58/06/510835806.db2.gz OVWUKTVACLXKKU-SIKLNZKXSA-N 3 2 374.573 2.771 10 0 FFAELP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000247106562 510835809 /nfs/dbraw/zinc/83/58/09/510835809.db2.gz OVWUKTVACLXKKU-SIKLNZKXSA-N 3 2 374.573 2.771 10 0 FFAELP C[NH+](C)C1CCC(NC(=O)N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC1 ZINC000333821068 511366300 /nfs/dbraw/zinc/36/63/00/511366300.db2.gz HNQXADIIPAWXCE-HWOWSKLDSA-N 2 2 361.534 2.667 10 0 FFAELP Cn1cc([C@H]2[C@H](C[N@H+](C)Cc3cccc4c[nH]nc43)CCC[NH+]2C)cn1 ZINC000328637374 511903256 /nfs/dbraw/zinc/90/32/56/511903256.db2.gz OPJKIVDJQQNNED-FXAWDEMLSA-N 2 2 352.486 2.811 10 0 FFAELP Cn1cc([C@H]2[C@H](C[N@@H+](C)Cc3cccc4c[nH]nc43)CCC[NH+]2C)cn1 ZINC000328637374 511903259 /nfs/dbraw/zinc/90/32/59/511903259.db2.gz OPJKIVDJQQNNED-FXAWDEMLSA-N 2 2 352.486 2.811 10 0 FFAELP Cn1cc([C@H]2[C@H](C[NH+](C)Cc3cccc4c[nH]nc43)CCC[N@@H+]2C)cn1 ZINC000328637374 511903263 /nfs/dbraw/zinc/90/32/63/511903263.db2.gz OPJKIVDJQQNNED-FXAWDEMLSA-N 2 2 352.486 2.811 10 0 FFAELP Cn1cc([C@H]2[C@H](C[NH+](C)Cc3cccc4c[nH]nc43)CCC[N@H+]2C)cn1 ZINC000328637374 511903267 /nfs/dbraw/zinc/90/32/67/511903267.db2.gz OPJKIVDJQQNNED-FXAWDEMLSA-N 2 2 352.486 2.811 10 0 FFAELP CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H](c1ccc(OC)c(O)c1)[NH2+][C@]2(CO)c1ccccc1 ZINC000065468061 205353243 /nfs/dbraw/zinc/35/32/43/205353243.db2.gz CNILYXSHPKBVIM-GMQQQROESA-N 2 2 368.477 2.501 10 0 FFAELP CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H](c1ccc(OC)c(O)c1)[NH2+][C@]2(CO)c1ccccc1 ZINC000065468061 205353245 /nfs/dbraw/zinc/35/32/45/205353245.db2.gz CNILYXSHPKBVIM-GMQQQROESA-N 2 2 368.477 2.501 10 0 FFAELP Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)n1 ZINC000106179603 250248500 /nfs/dbraw/zinc/24/85/00/250248500.db2.gz MFIXVJNXKKSDEN-LJQANCHMSA-N 2 2 350.470 2.993 10 0 FFAELP Cc1nc(C)n(C[C@@H]2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)n1 ZINC000106179603 250248502 /nfs/dbraw/zinc/24/85/02/250248502.db2.gz MFIXVJNXKKSDEN-LJQANCHMSA-N 2 2 350.470 2.993 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)c2nnnn2-c2ccccc2)C1 ZINC000106213236 250254810 /nfs/dbraw/zinc/25/48/10/250254810.db2.gz AFKSCYREEWVHOQ-DOTOQJQBSA-N 2 2 351.458 2.819 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)c2nnnn2-c2ccccc2)C1 ZINC000106213236 250254815 /nfs/dbraw/zinc/25/48/15/250254815.db2.gz AFKSCYREEWVHOQ-DOTOQJQBSA-N 2 2 351.458 2.819 10 0 FFAELP CCOc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H](n3cc[nH+]c3CC)C2)c1 ZINC000106212833 250255525 /nfs/dbraw/zinc/25/55/25/250255525.db2.gz MGYALNDOZBMUBM-GOSISDBHSA-N 2 2 370.497 2.798 10 0 FFAELP CCOc1cccc(CNC(=O)C[N@H+]2CCC[C@@H](n3cc[nH+]c3CC)C2)c1 ZINC000106212833 250255527 /nfs/dbraw/zinc/25/55/27/250255527.db2.gz MGYALNDOZBMUBM-GOSISDBHSA-N 2 2 370.497 2.798 10 0 FFAELP Cc1cc(N2C[C@@H]3OCC[N@H+](Cc4ccccc4)[C@H]3C2)nc(C(C)C)[nH+]1 ZINC000301621690 258059513 /nfs/dbraw/zinc/05/95/13/258059513.db2.gz FKZKJALKYMGAJI-OALUTQOASA-N 2 2 352.482 2.998 10 0 FFAELP Cc1cc(N2C[C@@H]3OCC[N@@H+](Cc4ccccc4)[C@H]3C2)nc(C(C)C)[nH+]1 ZINC000301621690 258059514 /nfs/dbraw/zinc/05/95/14/258059514.db2.gz FKZKJALKYMGAJI-OALUTQOASA-N 2 2 352.482 2.998 10 0 FFAELP CC(C)C[C@H](C[NH+](C)C)NC(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000079104130 507932937 /nfs/dbraw/zinc/93/29/37/507932937.db2.gz ZNFMGVCHRBPWNE-CQSZACIVSA-N 2 2 351.882 2.763 10 0 FFAELP Cc1cnn(CCCCC[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1 ZINC000111228446 508079546 /nfs/dbraw/zinc/07/95/46/508079546.db2.gz JKBJVCITMJNXNU-UHFFFAOYSA-N 2 2 358.534 2.655 10 0 FFAELP Cc1cnn(CCCCC[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1 ZINC000111228446 508079549 /nfs/dbraw/zinc/07/95/49/508079549.db2.gz JKBJVCITMJNXNU-UHFFFAOYSA-N 2 2 358.534 2.655 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000106214378 508397820 /nfs/dbraw/zinc/39/78/20/508397820.db2.gz ITEYJNYYMDXJBI-INIZCTEOSA-N 2 2 370.453 2.840 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000106214378 508397821 /nfs/dbraw/zinc/39/78/21/508397821.db2.gz ITEYJNYYMDXJBI-INIZCTEOSA-N 2 2 370.453 2.840 10 0 FFAELP C[C@@H]1CC[N@H+](C[C@H](O)COCc2ccc(Cl)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000129473089 508730531 /nfs/dbraw/zinc/73/05/31/508730531.db2.gz LDGWAQZLQWICOW-MNEFBYGVSA-N 2 2 363.889 2.997 10 0 FFAELP C[C@@H]1CC[N@@H+](C[C@H](O)COCc2ccc(Cl)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000129473089 508730536 /nfs/dbraw/zinc/73/05/36/508730536.db2.gz LDGWAQZLQWICOW-MNEFBYGVSA-N 2 2 363.889 2.997 10 0 FFAELP Cc1ccc2[nH+]c(CSCC(=O)N[C@@H]3C[N@H+](C(C)C)C[C@@H]3C)cn2c1 ZINC000159024513 508782787 /nfs/dbraw/zinc/78/27/87/508782787.db2.gz WEOUUDMKQREDSE-DOTOQJQBSA-N 2 2 360.527 2.721 10 0 FFAELP Cc1ccc2[nH+]c(CSCC(=O)N[C@@H]3C[N@@H+](C(C)C)C[C@@H]3C)cn2c1 ZINC000159024513 508782789 /nfs/dbraw/zinc/78/27/89/508782789.db2.gz WEOUUDMKQREDSE-DOTOQJQBSA-N 2 2 360.527 2.721 10 0 FFAELP CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)c1cc(NCC2CC2)[nH+]cn1 ZINC000119541556 508815844 /nfs/dbraw/zinc/81/58/44/508815844.db2.gz OIHFIYQTXYBRCU-INIZCTEOSA-N 2 2 373.526 2.870 10 0 FFAELP CCOCC[N@@H+]1CCN(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)C[C@H]1C ZINC000150888488 508916172 /nfs/dbraw/zinc/91/61/72/508916172.db2.gz XKSWIOCZQJGMCC-MRXNPFEDSA-N 2 2 371.485 2.662 10 0 FFAELP CCOCC[N@H+]1CCN(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)C[C@H]1C ZINC000150888488 508916176 /nfs/dbraw/zinc/91/61/76/508916176.db2.gz XKSWIOCZQJGMCC-MRXNPFEDSA-N 2 2 371.485 2.662 10 0 FFAELP COc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)cc1Br ZINC000151245435 508985764 /nfs/dbraw/zinc/98/57/64/508985764.db2.gz BXQZEDWPBFAWSN-UKRRQHHQSA-N 2 2 371.319 2.955 10 0 FFAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](Cc3coc4ccccc34)CC2)C1 ZINC000121034218 509114583 /nfs/dbraw/zinc/11/45/83/509114583.db2.gz RMNAJIZMZIPXJM-LJQANCHMSA-N 2 2 357.498 2.660 10 0 FFAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](Cc3coc4ccccc34)CC2)C1 ZINC000121034218 509114589 /nfs/dbraw/zinc/11/45/89/509114589.db2.gz RMNAJIZMZIPXJM-LJQANCHMSA-N 2 2 357.498 2.660 10 0 FFAELP Cc1ccc(N2CCC(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)CC2)[nH+]c1 ZINC000172872390 509284906 /nfs/dbraw/zinc/28/49/06/509284906.db2.gz LHCGTJQGUWIQBT-UHFFFAOYSA-N 2 2 361.449 2.975 10 0 FFAELP Cc1ccccc1OC[C@H](O)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248642224 509410357 /nfs/dbraw/zinc/41/03/57/509410357.db2.gz CZIVHAKCNDVRJC-LEWJYISDSA-N 2 2 369.509 2.584 10 0 FFAELP Cc1ccccc1OC[C@H](O)C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248642224 509410363 /nfs/dbraw/zinc/41/03/63/509410363.db2.gz CZIVHAKCNDVRJC-LEWJYISDSA-N 2 2 369.509 2.584 10 0 FFAELP Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248642224 509410368 /nfs/dbraw/zinc/41/03/68/509410368.db2.gz CZIVHAKCNDVRJC-LEWJYISDSA-N 2 2 369.509 2.584 10 0 FFAELP Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248642224 509410374 /nfs/dbraw/zinc/41/03/74/509410374.db2.gz CZIVHAKCNDVRJC-LEWJYISDSA-N 2 2 369.509 2.584 10 0 FFAELP CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000248649121 509416695 /nfs/dbraw/zinc/41/66/95/509416695.db2.gz KPOHVLJMLIYHOP-UAGQMJEPSA-N 2 2 366.575 2.899 10 0 FFAELP CCC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000248649121 509416699 /nfs/dbraw/zinc/41/66/99/509416699.db2.gz KPOHVLJMLIYHOP-UAGQMJEPSA-N 2 2 366.575 2.899 10 0 FFAELP CCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000248649121 509416709 /nfs/dbraw/zinc/41/67/09/509416709.db2.gz KPOHVLJMLIYHOP-UAGQMJEPSA-N 2 2 366.575 2.899 10 0 FFAELP C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCn3cc[nH+]c32)[C@@H]1c1ccc(Cl)cc1 ZINC000179458141 509453748 /nfs/dbraw/zinc/45/37/48/509453748.db2.gz YWRKTVILFQVKDO-IKGGRYGDSA-N 2 2 358.873 2.976 10 0 FFAELP C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCn3cc[nH+]c32)[C@@H]1c1ccc(Cl)cc1 ZINC000179458141 509453755 /nfs/dbraw/zinc/45/37/55/509453755.db2.gz YWRKTVILFQVKDO-IKGGRYGDSA-N 2 2 358.873 2.976 10 0 FFAELP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)CCC2 ZINC000192721850 509614065 /nfs/dbraw/zinc/61/40/65/509614065.db2.gz OVHOZPDDHNTFTE-HOTGVXAUSA-N 2 2 364.486 2.579 10 0 FFAELP CCO[C@@H]1C[C@@H]([NH2+]c2ccc(N3CC[NH+](C)CC3)cc2)C12CCOCC2 ZINC000186476995 509728838 /nfs/dbraw/zinc/72/88/38/509728838.db2.gz KJBAZAFOIHXWMD-WOJBJXKFSA-N 2 2 359.514 2.825 10 0 FFAELP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3CC[NH+]4CCCC[C@H]4C3)cc2)C[C@H](C)O1 ZINC000250203607 509791779 /nfs/dbraw/zinc/79/17/79/509791779.db2.gz PEELQUUOKQOCTI-UEXGIBASSA-N 2 2 371.525 2.606 10 0 FFAELP C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3CC[NH+]4CCCC[C@H]4C3)cc2)C[C@H](C)O1 ZINC000250203607 509791790 /nfs/dbraw/zinc/79/17/90/509791790.db2.gz PEELQUUOKQOCTI-UEXGIBASSA-N 2 2 371.525 2.606 10 0 FFAELP C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CC[N@@H+]4CCCC[C@H]4C3)cc2)C[C@H](C)O1 ZINC000250203607 509791795 /nfs/dbraw/zinc/79/17/95/509791795.db2.gz PEELQUUOKQOCTI-UEXGIBASSA-N 2 2 371.525 2.606 10 0 FFAELP C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CC[N@H+]4CCCC[C@H]4C3)cc2)C[C@H](C)O1 ZINC000250203607 509791802 /nfs/dbraw/zinc/79/18/02/509791802.db2.gz PEELQUUOKQOCTI-UEXGIBASSA-N 2 2 371.525 2.606 10 0 FFAELP CCOc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](n3cc[nH+]c3CC)C2)cc1 ZINC000252353338 509833672 /nfs/dbraw/zinc/83/36/72/509833672.db2.gz WUESIKDSJJWQJW-QZTJIDSGSA-N 2 2 373.497 2.921 10 0 FFAELP CCOc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H](n3cc[nH+]c3CC)C2)cc1 ZINC000252353338 509833680 /nfs/dbraw/zinc/83/36/80/509833680.db2.gz WUESIKDSJJWQJW-QZTJIDSGSA-N 2 2 373.497 2.921 10 0 FFAELP 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510014543 /nfs/dbraw/zinc/01/45/43/510014543.db2.gz HARKVAYWSWJXQM-NVXWUHKLSA-N 2 2 358.511 2.803 10 0 FFAELP C[C@@H]1CC[N@@H+](CCC(=O)N2CCc3sccc3C2)C[C@H]1n1cc[nH+]c1 ZINC000245572777 510014552 /nfs/dbraw/zinc/01/45/52/510014552.db2.gz HARKVAYWSWJXQM-NVXWUHKLSA-N 2 2 358.511 2.803 10 0 FFAELP C[C@H]1CC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)[C@@H](c2ccco2)C1 ZINC000245722783 510106773 /nfs/dbraw/zinc/10/67/73/510106773.db2.gz ICTQFBZBZDUBBY-FUHWJXTLSA-N 2 2 355.486 2.795 10 0 FFAELP C[C@H]1CC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)[C@@H](c2ccco2)C1 ZINC000245722783 510106782 /nfs/dbraw/zinc/10/67/82/510106782.db2.gz ICTQFBZBZDUBBY-FUHWJXTLSA-N 2 2 355.486 2.795 10 0 FFAELP COc1cc(-c2noc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)n2)ccc1C ZINC000245974349 510236029 /nfs/dbraw/zinc/23/60/29/510236029.db2.gz WOPJSRVKFIAVRU-IRXDYDNUSA-N 2 2 356.470 2.970 10 0 FFAELP COc1cc(-c2noc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)n2)ccc1C ZINC000245974349 510236033 /nfs/dbraw/zinc/23/60/33/510236033.db2.gz WOPJSRVKFIAVRU-IRXDYDNUSA-N 2 2 356.470 2.970 10 0 FFAELP COc1cc(-c2noc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)n2)ccc1C ZINC000245974349 510236043 /nfs/dbraw/zinc/23/60/43/510236043.db2.gz WOPJSRVKFIAVRU-IRXDYDNUSA-N 2 2 356.470 2.970 10 0 FFAELP COc1cc(-c2noc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)n2)ccc1C ZINC000245974349 510236052 /nfs/dbraw/zinc/23/60/52/510236052.db2.gz WOPJSRVKFIAVRU-IRXDYDNUSA-N 2 2 356.470 2.970 10 0 FFAELP COc1ccccc1CNC(=O)[C@H](C)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171644296 510273066 /nfs/dbraw/zinc/27/30/66/510273066.db2.gz GFXBLXFIPDHGED-DLBZAZTESA-N 2 2 368.481 2.529 10 0 FFAELP COc1ccccc1CNC(=O)[C@H](C)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171644296 510273073 /nfs/dbraw/zinc/27/30/73/510273073.db2.gz GFXBLXFIPDHGED-DLBZAZTESA-N 2 2 368.481 2.529 10 0 FFAELP O[C@@H](COc1ccc(Cl)cc1)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246071148 510274664 /nfs/dbraw/zinc/27/46/64/510274664.db2.gz BXEDEIRPSRRKOQ-DOTOQJQBSA-N 2 2 361.873 2.909 10 0 FFAELP O[C@@H](COc1ccc(Cl)cc1)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246071148 510274670 /nfs/dbraw/zinc/27/46/70/510274670.db2.gz BXEDEIRPSRRKOQ-DOTOQJQBSA-N 2 2 361.873 2.909 10 0 FFAELP CCOC(=O)C1CCC(O)(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3CC)C2)CC1 ZINC000190868821 510383921 /nfs/dbraw/zinc/38/39/21/510383921.db2.gz DAHJLOUZLKIERR-OHTSDLOESA-N 2 2 363.502 2.567 10 0 FFAELP CCOC(=O)C1CCC(O)(C[N@H+]2CCC[C@@H](n3cc[nH+]c3CC)C2)CC1 ZINC000190868821 510383929 /nfs/dbraw/zinc/38/39/29/510383929.db2.gz DAHJLOUZLKIERR-OHTSDLOESA-N 2 2 363.502 2.567 10 0 FFAELP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000263192578 510604693 /nfs/dbraw/zinc/60/46/93/510604693.db2.gz IBMHLEUXEUTWLF-XPTSAGLGSA-N 2 2 358.294 2.787 10 0 FFAELP CC[C@H]1CN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC[N@@H+]1C[C@H](C)O ZINC000246676897 510612220 /nfs/dbraw/zinc/61/22/20/510612220.db2.gz AQXLPFAKEZJIGE-WMZOPIPTSA-N 2 2 369.465 2.791 10 0 FFAELP CC[C@H]1CN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC[N@H+]1C[C@H](C)O ZINC000246676897 510612223 /nfs/dbraw/zinc/61/22/23/510612223.db2.gz AQXLPFAKEZJIGE-WMZOPIPTSA-N 2 2 369.465 2.791 10 0 FFAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2cnn(C(C)C)c2C)nc[nH+]1 ZINC000191357027 510621166 /nfs/dbraw/zinc/62/11/66/510621166.db2.gz MGUIMIVMFFOOOY-ZBFHGGJFSA-N 2 2 357.506 2.924 10 0 FFAELP CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000175557614 510677905 /nfs/dbraw/zinc/67/79/05/510677905.db2.gz RIXMDHINVJEPLB-IRXDYDNUSA-N 2 2 355.486 2.964 10 0 FFAELP CCC[N@H+]1CC[C@@H](CNC(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000175557614 510677912 /nfs/dbraw/zinc/67/79/12/510677912.db2.gz RIXMDHINVJEPLB-IRXDYDNUSA-N 2 2 355.486 2.964 10 0 FFAELP CCOC(=O)c1csc(C2CC[NH+](CCC[NH+]3CCCC3)CC2)n1 ZINC000191567076 510726224 /nfs/dbraw/zinc/72/62/24/510726224.db2.gz SSLDVUQVPPFDHZ-UHFFFAOYSA-N 2 2 351.516 2.985 10 0 FFAELP COc1cccc(OCC[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000195269677 510749144 /nfs/dbraw/zinc/74/91/44/510749144.db2.gz AJDSGWARHSPVML-LJQANCHMSA-N 2 2 355.482 2.923 10 0 FFAELP COc1cccc(OCC[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000195269677 510749148 /nfs/dbraw/zinc/74/91/48/510749148.db2.gz AJDSGWARHSPVML-LJQANCHMSA-N 2 2 355.482 2.923 10 0 FFAELP COc1cccc(OCC[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)c1 ZINC000195269677 510749151 /nfs/dbraw/zinc/74/91/51/510749151.db2.gz AJDSGWARHSPVML-LJQANCHMSA-N 2 2 355.482 2.923 10 0 FFAELP COc1cccc(OCC[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)c1 ZINC000195269677 510749155 /nfs/dbraw/zinc/74/91/55/510749155.db2.gz AJDSGWARHSPVML-LJQANCHMSA-N 2 2 355.482 2.923 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000178747719 510751636 /nfs/dbraw/zinc/75/16/36/510751636.db2.gz KDLXTPYFRJLRLM-MRXNPFEDSA-N 2 2 357.845 2.517 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000178747719 510751641 /nfs/dbraw/zinc/75/16/41/510751641.db2.gz KDLXTPYFRJLRLM-MRXNPFEDSA-N 2 2 357.845 2.517 10 0 FFAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+]([C@H](C)c3ccc(F)cc3F)CC2)C1 ZINC000247773657 510870085 /nfs/dbraw/zinc/87/00/85/510870085.db2.gz PXNARRCYLDPRFY-SJLPKXTDSA-N 2 2 367.484 2.753 10 0 FFAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+]([C@H](C)c3ccc(F)cc3F)CC2)C1 ZINC000247773657 510870086 /nfs/dbraw/zinc/87/00/86/510870086.db2.gz PXNARRCYLDPRFY-SJLPKXTDSA-N 2 2 367.484 2.753 10 0 FFAELP Clc1ccc2c(c1)[nH+]ccc2N1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000333576921 511290538 /nfs/dbraw/zinc/29/05/38/511290538.db2.gz SULJQMNHUIGPFD-UHFFFAOYSA-N 2 2 368.872 2.967 10 0 FFAELP CN(C)c1[nH+]cccc1O[C@H]1CC[N@@H+]([C@H]2CCc3ccccc3NC2=O)C1 ZINC000334059414 511443832 /nfs/dbraw/zinc/44/38/32/511443832.db2.gz XWCCJHGRCGVRTD-WMZOPIPTSA-N 2 2 366.465 2.554 10 0 FFAELP CN(C)c1[nH+]cccc1O[C@H]1CC[N@H+]([C@H]2CCc3ccccc3NC2=O)C1 ZINC000334059414 511443839 /nfs/dbraw/zinc/44/38/39/511443839.db2.gz XWCCJHGRCGVRTD-WMZOPIPTSA-N 2 2 366.465 2.554 10 0 FFAELP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2ccc(OC)nc2)[C@@H]1c1cnn(C)c1 ZINC000328655249 511908761 /nfs/dbraw/zinc/90/87/61/511908761.db2.gz YFOFQTLBTLITRJ-FXAWDEMLSA-N 2 2 357.502 2.729 10 0 FFAELP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2ccc(OC)nc2)[C@@H]1c1cnn(C)c1 ZINC000328655249 511908770 /nfs/dbraw/zinc/90/87/70/511908770.db2.gz YFOFQTLBTLITRJ-FXAWDEMLSA-N 2 2 357.502 2.729 10 0 FFAELP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2ccc(OC)nc2)[C@@H]1c1cnn(C)c1 ZINC000328655249 511908779 /nfs/dbraw/zinc/90/87/79/511908779.db2.gz YFOFQTLBTLITRJ-FXAWDEMLSA-N 2 2 357.502 2.729 10 0 FFAELP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2ccc(OC)nc2)[C@@H]1c1cnn(C)c1 ZINC000328655249 511908785 /nfs/dbraw/zinc/90/87/85/511908785.db2.gz YFOFQTLBTLITRJ-FXAWDEMLSA-N 2 2 357.502 2.729 10 0 FFAELP Cn1nccc1[C@H]1[C@H](C[N@H+](C)Cc2ccc3c[nH]nc3c2)CCC[NH+]1C ZINC000284936335 511935779 /nfs/dbraw/zinc/93/57/79/511935779.db2.gz VAKBXPIAAAHHJM-FXAWDEMLSA-N 2 2 352.486 2.811 10 0 FFAELP Cn1nccc1[C@H]1[C@H](C[N@@H+](C)Cc2ccc3c[nH]nc3c2)CCC[NH+]1C ZINC000284936335 511935784 /nfs/dbraw/zinc/93/57/84/511935784.db2.gz VAKBXPIAAAHHJM-FXAWDEMLSA-N 2 2 352.486 2.811 10 0 FFAELP Cn1nccc1[C@H]1[C@H](C[NH+](C)Cc2ccc3c[nH]nc3c2)CCC[N@@H+]1C ZINC000284936335 511935788 /nfs/dbraw/zinc/93/57/88/511935788.db2.gz VAKBXPIAAAHHJM-FXAWDEMLSA-N 2 2 352.486 2.811 10 0 FFAELP Cn1nccc1[C@H]1[C@H](C[NH+](C)Cc2ccc3c[nH]nc3c2)CCC[N@H+]1C ZINC000284936335 511935794 /nfs/dbraw/zinc/93/57/94/511935794.db2.gz VAKBXPIAAAHHJM-FXAWDEMLSA-N 2 2 352.486 2.811 10 0 FFAELP CCn1cc[nH+]c1CN(C(=O)c1ccc(F)cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000370165552 512798457 /nfs/dbraw/zinc/79/84/57/512798457.db2.gz WNLOMQWMTOAXEN-KRWDZBQOSA-N 2 2 356.445 2.827 10 0 FFAELP O[C@H](C[NH2+][C@@H]1CCc2c1cccc2Br)C[NH+]1CCCCC1 ZINC000180044941 729201501 /nfs/dbraw/zinc/20/15/01/729201501.db2.gz QGIWJSOOBANFDY-CXAGYDPISA-N 2 2 353.304 2.873 10 0 FFAELP Brc1cc2c(s1)CC[C@@H]2[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000312855486 729744019 /nfs/dbraw/zinc/74/40/19/729744019.db2.gz GXDMBSJRKLNZCD-LOWVWBTDSA-N 2 2 357.317 2.951 10 0 FFAELP Brc1cc2c(s1)CC[C@@H]2[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000312855486 729744021 /nfs/dbraw/zinc/74/40/21/729744021.db2.gz GXDMBSJRKLNZCD-LOWVWBTDSA-N 2 2 357.317 2.951 10 0 FFAELP O=C(CC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)NC(=O)Nc1ccccc1 ZINC000103473718 250154914 /nfs/dbraw/zinc/15/49/14/250154914.db2.gz FYISZMMUHKFCNR-INIZCTEOSA-N 2 2 367.453 2.554 10 0 FFAELP O=C(CC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)NC(=O)Nc1ccccc1 ZINC000103473718 250154918 /nfs/dbraw/zinc/15/49/18/250154918.db2.gz FYISZMMUHKFCNR-INIZCTEOSA-N 2 2 367.453 2.554 10 0 FFAELP Cc1ccccc1NC(=O)[C@@H](C)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130856 250239975 /nfs/dbraw/zinc/23/99/75/250239975.db2.gz DCOFAPZFADWDAV-GOSISDBHSA-N 2 2 369.513 2.615 10 0 FFAELP Cc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130856 250239981 /nfs/dbraw/zinc/23/99/81/250239981.db2.gz DCOFAPZFADWDAV-GOSISDBHSA-N 2 2 369.513 2.615 10 0 FFAELP Cn1cc[nH+]c1CC1CC[NH+](CC(=O)Nc2cc(C(C)(C)C)no2)CC1 ZINC000106165240 250247055 /nfs/dbraw/zinc/24/70/55/250247055.db2.gz BXFGCFJSXBCNPF-UHFFFAOYSA-N 2 2 359.474 2.599 10 0 FFAELP Cc1nc(NC(=O)[C@H](C)[NH+]2CCC(Cc3[nH+]ccn3C)CC2)sc1C ZINC000106163865 250247100 /nfs/dbraw/zinc/24/71/00/250247100.db2.gz KERNUJIHDBXXKC-ZDUSSCGKSA-N 2 2 361.515 2.775 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(NC(C)=O)c2)C1 ZINC000106216386 250255714 /nfs/dbraw/zinc/25/57/14/250255714.db2.gz ZTQDQMBLGZMDHW-GOSISDBHSA-N 2 2 369.469 2.680 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(NC(C)=O)c2)C1 ZINC000106216386 250255719 /nfs/dbraw/zinc/25/57/19/250255719.db2.gz ZTQDQMBLGZMDHW-GOSISDBHSA-N 2 2 369.469 2.680 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)c2nnnn2-c2ccccc2)C1 ZINC000106213240 250255891 /nfs/dbraw/zinc/25/58/91/250255891.db2.gz AFKSCYREEWVHOQ-RDJZCZTQSA-N 2 2 351.458 2.819 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)c2nnnn2-c2ccccc2)C1 ZINC000106213240 250255894 /nfs/dbraw/zinc/25/58/94/250255894.db2.gz AFKSCYREEWVHOQ-RDJZCZTQSA-N 2 2 351.458 2.819 10 0 FFAELP CN(C)C(=O)COc1ccccc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000252802223 251312344 /nfs/dbraw/zinc/31/23/44/251312344.db2.gz HQWDJQXZUMUTPS-FXAWDEMLSA-N 2 2 371.525 2.602 10 0 FFAELP CN(C)C(=O)COc1ccccc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000252802223 251312353 /nfs/dbraw/zinc/31/23/53/251312353.db2.gz HQWDJQXZUMUTPS-FXAWDEMLSA-N 2 2 371.525 2.602 10 0 FFAELP CN(C)C(=O)COc1ccccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000252802223 251312359 /nfs/dbraw/zinc/31/23/59/251312359.db2.gz HQWDJQXZUMUTPS-FXAWDEMLSA-N 2 2 371.525 2.602 10 0 FFAELP CN(C)C(=O)COc1ccccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000252802223 251312362 /nfs/dbraw/zinc/31/23/62/251312362.db2.gz HQWDJQXZUMUTPS-FXAWDEMLSA-N 2 2 371.525 2.602 10 0 FFAELP Cc1cccc(NC[C@@H]2CCN(c3cc(N4CCSCC4)nc[nH+]3)C2)[nH+]1 ZINC000277635591 256219961 /nfs/dbraw/zinc/21/99/61/256219961.db2.gz XKARFKDUCRDSNZ-INIZCTEOSA-N 2 2 370.526 2.672 10 0 FFAELP Cc1cccc(NC[C@@H]2CCN(c3cc(N4CCSCC4)[nH+]cn3)C2)[nH+]1 ZINC000277635591 256219962 /nfs/dbraw/zinc/21/99/62/256219962.db2.gz XKARFKDUCRDSNZ-INIZCTEOSA-N 2 2 370.526 2.672 10 0 FFAELP CC(C)[C@H]1OCCC[C@H]1Nc1nc(NCc2cn3c([nH+]2)CCCC3)cc[nH+]1 ZINC000330127186 258155882 /nfs/dbraw/zinc/15/58/82/258155882.db2.gz IYIXKDYGKXSMLK-VQIMIIECSA-N 2 2 370.501 2.659 10 0 FFAELP Cc1cn2c([nH+]1)[C@@H](CNC(=O)N1CCC[C@H]([NH+]3CCCC3)CC1)CCC2 ZINC000332689246 258240266 /nfs/dbraw/zinc/24/02/66/258240266.db2.gz QAPYOVPPGAZRQV-MSOLQXFVSA-N 2 2 359.518 2.729 10 0 FFAELP CC(=O)N(c1nc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cs1)C1CC1 ZINC000114717203 508341152 /nfs/dbraw/zinc/34/11/52/508341152.db2.gz NVMLIHQOCXRJPI-OAHLLOKOSA-N 2 2 371.510 2.987 10 0 FFAELP CC(=O)N(c1nc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cs1)C1CC1 ZINC000114717203 508341153 /nfs/dbraw/zinc/34/11/53/508341153.db2.gz NVMLIHQOCXRJPI-OAHLLOKOSA-N 2 2 371.510 2.987 10 0 FFAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+]([C@@H](C)c3ccc(F)cc3F)CC2)C1 ZINC000106120434 508396080 /nfs/dbraw/zinc/39/60/80/508396080.db2.gz PXNARRCYLDPRFY-FUHWJXTLSA-N 2 2 367.484 2.753 10 0 FFAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+]([C@@H](C)c3ccc(F)cc3F)CC2)C1 ZINC000106120434 508396082 /nfs/dbraw/zinc/39/60/82/508396082.db2.gz PXNARRCYLDPRFY-FUHWJXTLSA-N 2 2 367.484 2.753 10 0 FFAELP Cc1ccc(NCCCNC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)[nH+]c1 ZINC000127539663 508464907 /nfs/dbraw/zinc/46/49/07/508464907.db2.gz NPAHDMDJJXDNLS-UHFFFAOYSA-N 2 2 370.501 2.590 10 0 FFAELP CCCn1nc(C)c(C[NH2+]C[C@H]2CCCN2c2cc(NC)[nH+]cn2)c1C ZINC000134001387 508479423 /nfs/dbraw/zinc/47/94/23/508479423.db2.gz SJKZJYXSQRONRQ-MRXNPFEDSA-N 2 2 357.506 2.500 10 0 FFAELP O=C(CC[N@@H+]1CCC[C@@H]1c1ccco1)N1CCN(c2cccc[nH+]2)CC1 ZINC000116287810 508494845 /nfs/dbraw/zinc/49/48/45/508494845.db2.gz CSFTZGMEKVFBHB-QGZVFWFLSA-N 2 2 354.454 2.550 10 0 FFAELP O=C(CC[N@H+]1CCC[C@@H]1c1ccco1)N1CCN(c2cccc[nH+]2)CC1 ZINC000116287810 508494848 /nfs/dbraw/zinc/49/48/48/508494848.db2.gz CSFTZGMEKVFBHB-QGZVFWFLSA-N 2 2 354.454 2.550 10 0 FFAELP C[NH+]1CCN(c2ncc(C[NH2+][C@H]3CC(C)(C)Oc4ccccc43)cn2)CC1 ZINC000134416461 508530577 /nfs/dbraw/zinc/53/05/77/508530577.db2.gz GXJJVNYHJHCIGZ-SFHVURJKSA-N 2 2 367.497 2.620 10 0 FFAELP OC[C@H](Cc1c[nH]c2ccccc12)[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000124148847 508789335 /nfs/dbraw/zinc/78/93/35/508789335.db2.gz KGYOQBLJKPELPL-FQEVSTJZSA-N 2 2 364.493 2.721 10 0 FFAELP CC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000154562675 508810741 /nfs/dbraw/zinc/81/07/41/508810741.db2.gz GXLUJIZCGQCIGD-IFXJQAMLSA-N 2 2 354.454 2.886 10 0 FFAELP CC(=O)c1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000154562675 508810746 /nfs/dbraw/zinc/81/07/46/508810746.db2.gz GXLUJIZCGQCIGD-IFXJQAMLSA-N 2 2 354.454 2.886 10 0 FFAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)NC(C)(C)C)C1 ZINC000248640407 509408370 /nfs/dbraw/zinc/40/83/70/509408370.db2.gz CANDHDACAIFHBD-HUUCEWRRSA-N 2 2 352.548 2.508 10 0 FFAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)NC(C)(C)C)C1 ZINC000248640407 509408374 /nfs/dbraw/zinc/40/83/74/509408374.db2.gz CANDHDACAIFHBD-HUUCEWRRSA-N 2 2 352.548 2.508 10 0 FFAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)NC(C)(C)C)C1 ZINC000248640407 509408387 /nfs/dbraw/zinc/40/83/87/509408387.db2.gz CANDHDACAIFHBD-HUUCEWRRSA-N 2 2 352.548 2.508 10 0 FFAELP CCC(C)(C)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000248645275 509413338 /nfs/dbraw/zinc/41/33/38/509413338.db2.gz GFCULKUKFAQUMO-CVEARBPZSA-N 2 2 366.575 2.899 10 0 FFAELP CCC(C)(C)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000248645275 509413345 /nfs/dbraw/zinc/41/33/45/509413345.db2.gz GFCULKUKFAQUMO-CVEARBPZSA-N 2 2 366.575 2.899 10 0 FFAELP CCC(C)(C)NC(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000248645275 509413348 /nfs/dbraw/zinc/41/33/48/509413348.db2.gz GFCULKUKFAQUMO-CVEARBPZSA-N 2 2 366.575 2.899 10 0 FFAELP CCC(C)(C)NC(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000248645275 509413356 /nfs/dbraw/zinc/41/33/56/509413356.db2.gz GFCULKUKFAQUMO-CVEARBPZSA-N 2 2 366.575 2.899 10 0 FFAELP COc1cccc2c1CC[C@H]([NH2+]C[C@H](O)C[N@@H+]1CCc3ccccc3C1)C2 ZINC000192438974 509515855 /nfs/dbraw/zinc/51/58/55/509515855.db2.gz JPVYVPHTQHMYFK-SFTDATJTSA-N 2 2 366.505 2.561 10 0 FFAELP COc1cccc2c1CC[C@H]([NH2+]C[C@H](O)C[N@H+]1CCc3ccccc3C1)C2 ZINC000192438974 509515863 /nfs/dbraw/zinc/51/58/63/509515863.db2.gz JPVYVPHTQHMYFK-SFTDATJTSA-N 2 2 366.505 2.561 10 0 FFAELP CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000249615466 509727780 /nfs/dbraw/zinc/72/77/80/509727780.db2.gz YLFJBAALKKDMLO-LMMKCTJWSA-N 2 2 374.529 2.902 10 0 FFAELP CC[N@H+]1CCC[C@H](NC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000249615466 509727784 /nfs/dbraw/zinc/72/77/84/509727784.db2.gz YLFJBAALKKDMLO-LMMKCTJWSA-N 2 2 374.529 2.902 10 0 FFAELP C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000189896134 509816240 /nfs/dbraw/zinc/81/62/40/509816240.db2.gz UWRWLMJJQKDEJN-JKSUJKDBSA-N 2 2 359.495 2.980 10 0 FFAELP C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000189896134 509816242 /nfs/dbraw/zinc/81/62/42/509816242.db2.gz UWRWLMJJQKDEJN-JKSUJKDBSA-N 2 2 359.495 2.980 10 0 FFAELP CC[NH+](CC)[C@@H](CNc1cc(N2CCC[C@H]2CO)[nH+]cn1)c1ccco1 ZINC000252440969 509835916 /nfs/dbraw/zinc/83/59/16/509835916.db2.gz KCPZCEXMCLKSHW-HOTGVXAUSA-N 2 2 359.474 2.526 10 0 FFAELP C[N@H+](Cc1cn2cc(Cl)ccc2n1)C1CC[NH+](CCn2cccn2)CC1 ZINC000170942141 509860528 /nfs/dbraw/zinc/86/05/28/509860528.db2.gz HIEGZRUFETZOPD-UHFFFAOYSA-N 2 2 372.904 2.781 10 0 FFAELP C[N@@H+](Cc1cn2cc(Cl)ccc2n1)C1CC[NH+](CCn2cccn2)CC1 ZINC000170942141 509860530 /nfs/dbraw/zinc/86/05/30/509860530.db2.gz HIEGZRUFETZOPD-UHFFFAOYSA-N 2 2 372.904 2.781 10 0 FFAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2ccc(OC)cc2OC)nc[nH+]1 ZINC000180568050 509988994 /nfs/dbraw/zinc/98/89/94/509988994.db2.gz KIUFFZNGXVRAPK-LSDHHAIUSA-N 2 2 371.485 2.855 10 0 FFAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2ccc(OC)cc2OC)nc[nH+]1 ZINC000180568033 509989188 /nfs/dbraw/zinc/98/91/88/509989188.db2.gz KIUFFZNGXVRAPK-CABCVRRESA-N 2 2 371.485 2.855 10 0 FFAELP CNc1cc(N2CCC[C@H]2C[NH2+]C2CCN(c3ccccc3)CC2)nc[nH+]1 ZINC000180575201 509994137 /nfs/dbraw/zinc/99/41/37/509994137.db2.gz IZQQQHQYKRDSNS-IBGZPJMESA-N 2 2 366.513 2.746 10 0 FFAELP C[C@H](NC(=O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1ccc(Cl)cc1Cl ZINC000193627008 509995455 /nfs/dbraw/zinc/99/54/55/509995455.db2.gz WZLUBSYJCQOLLP-RWMBFGLXSA-N 2 2 356.297 2.664 10 0 FFAELP C[C@H](NC(=O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1ccc(Cl)cc1Cl ZINC000193627008 509995464 /nfs/dbraw/zinc/99/54/64/509995464.db2.gz WZLUBSYJCQOLLP-RWMBFGLXSA-N 2 2 356.297 2.664 10 0 FFAELP C[C@H](NC(=O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1)c1ccc(Cl)cc1Cl ZINC000193627008 509995472 /nfs/dbraw/zinc/99/54/72/509995472.db2.gz WZLUBSYJCQOLLP-RWMBFGLXSA-N 2 2 356.297 2.664 10 0 FFAELP C[C@H](NC(=O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1)c1ccc(Cl)cc1Cl ZINC000193627008 509995482 /nfs/dbraw/zinc/99/54/82/509995482.db2.gz WZLUBSYJCQOLLP-RWMBFGLXSA-N 2 2 356.297 2.664 10 0 FFAELP C[C@@H](NC(=O)[C@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1cccc2ccccc21 ZINC000193656895 510008041 /nfs/dbraw/zinc/00/80/41/510008041.db2.gz ANNRXZFCSCLLBC-JFRXWTBNSA-N 2 2 351.494 2.899 10 0 FFAELP C[C@@H](NC(=O)[C@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1cccc2ccccc21 ZINC000193656895 510008048 /nfs/dbraw/zinc/00/80/48/510008048.db2.gz ANNRXZFCSCLLBC-JFRXWTBNSA-N 2 2 351.494 2.899 10 0 FFAELP C[C@@H](NC(=O)[C@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1)c1cccc2ccccc21 ZINC000193656895 510008054 /nfs/dbraw/zinc/00/80/54/510008054.db2.gz ANNRXZFCSCLLBC-JFRXWTBNSA-N 2 2 351.494 2.899 10 0 FFAELP C[C@@H](NC(=O)[C@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1)c1cccc2ccccc21 ZINC000193656895 510008059 /nfs/dbraw/zinc/00/80/59/510008059.db2.gz ANNRXZFCSCLLBC-JFRXWTBNSA-N 2 2 351.494 2.899 10 0 FFAELP CN(c1ccccc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C)C1CC[NH+](C)CC1 ZINC000245723173 510107803 /nfs/dbraw/zinc/10/78/03/510107803.db2.gz IJHABMQJYRAJKN-CTNGQTDRSA-N 2 2 356.558 2.886 10 0 FFAELP CN(c1ccccc1C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C)C1CC[NH+](C)CC1 ZINC000245723173 510107807 /nfs/dbraw/zinc/10/78/07/510107807.db2.gz IJHABMQJYRAJKN-CTNGQTDRSA-N 2 2 356.558 2.886 10 0 FFAELP CC(=O)c1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1 ZINC000245982550 510238435 /nfs/dbraw/zinc/23/84/35/510238435.db2.gz YSAWZANSYVLNQD-KUHUBIRLSA-N 2 2 354.454 2.886 10 0 FFAELP CC(=O)c1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1 ZINC000245982550 510238440 /nfs/dbraw/zinc/23/84/40/510238440.db2.gz YSAWZANSYVLNQD-KUHUBIRLSA-N 2 2 354.454 2.886 10 0 FFAELP C[NH+](C)[C@@H](CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1ccccc1Cl ZINC000171587961 510238702 /nfs/dbraw/zinc/23/87/02/510238702.db2.gz RWUQDVSPZIIHGE-QAPCUYQASA-N 2 2 364.921 2.822 10 0 FFAELP C[NH+](C)[C@@H](CNC(=O)N1CC[N@H+]2CCCC[C@@H]2C1)c1ccccc1Cl ZINC000171587961 510238709 /nfs/dbraw/zinc/23/87/09/510238709.db2.gz RWUQDVSPZIIHGE-QAPCUYQASA-N 2 2 364.921 2.822 10 0 FFAELP C[C@H](CCNC(=O)N1CCCN(c2cccc[nH+]2)CC1)[NH+]1CCCCC1 ZINC000184311756 510254733 /nfs/dbraw/zinc/25/47/33/510254733.db2.gz COQQNTXIBNENDC-GOSISDBHSA-N 2 2 359.518 2.568 10 0 FFAELP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)NCc3cc(F)cc(F)c3)C2)[nH+]1 ZINC000171649168 510277503 /nfs/dbraw/zinc/27/75/03/510277503.db2.gz QTYRGZIDZRJGIC-OAHLLOKOSA-N 2 2 374.435 2.718 10 0 FFAELP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)NCc3cc(F)cc(F)c3)C2)[nH+]1 ZINC000171649168 510277511 /nfs/dbraw/zinc/27/75/11/510277511.db2.gz QTYRGZIDZRJGIC-OAHLLOKOSA-N 2 2 374.435 2.718 10 0 FFAELP O=C(C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)NCc1ccc(Cl)cc1 ZINC000171648098 510278440 /nfs/dbraw/zinc/27/84/40/510278440.db2.gz SIYFLQIRSSVNDN-INIZCTEOSA-N 2 2 358.873 2.785 10 0 FFAELP O=C(C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)NCc1ccc(Cl)cc1 ZINC000171648098 510278450 /nfs/dbraw/zinc/27/84/50/510278450.db2.gz SIYFLQIRSSVNDN-INIZCTEOSA-N 2 2 358.873 2.785 10 0 FFAELP CC(=O)c1ccccc1NC(=O)C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000171652739 510281988 /nfs/dbraw/zinc/28/19/88/510281988.db2.gz KVRXQQGBEKJHCL-KRWDZBQOSA-N 2 2 366.465 2.965 10 0 FFAELP CC(=O)c1ccccc1NC(=O)C[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000171652739 510281995 /nfs/dbraw/zinc/28/19/95/510281995.db2.gz KVRXQQGBEKJHCL-KRWDZBQOSA-N 2 2 366.465 2.965 10 0 FFAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](Cc3cc(Cl)cs3)CC2)C1 ZINC000194385316 510338388 /nfs/dbraw/zinc/33/83/88/510338388.db2.gz NDZHLJKDEMCDIR-INIZCTEOSA-N 2 2 357.951 2.628 10 0 FFAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](Cc3cc(Cl)cs3)CC2)C1 ZINC000194385316 510338393 /nfs/dbraw/zinc/33/83/93/510338393.db2.gz NDZHLJKDEMCDIR-INIZCTEOSA-N 2 2 357.951 2.628 10 0 FFAELP C[C@H]1Cc2ccccc2N1C(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246191618 510352157 /nfs/dbraw/zinc/35/21/57/510352157.db2.gz WKLCITQMFUHIEL-IRXDYDNUSA-N 2 2 350.466 2.793 10 0 FFAELP C[C@H]1Cc2ccccc2N1C(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246191618 510352162 /nfs/dbraw/zinc/35/21/62/510352162.db2.gz WKLCITQMFUHIEL-IRXDYDNUSA-N 2 2 350.466 2.793 10 0 FFAELP Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000246208953 510365749 /nfs/dbraw/zinc/36/57/49/510365749.db2.gz ZAISUNBEEUESTC-RBUKOAKNSA-N 2 2 355.482 2.872 10 0 FFAELP Cc1ccc(C)c(OC[C@H](O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000246208953 510365752 /nfs/dbraw/zinc/36/57/52/510365752.db2.gz ZAISUNBEEUESTC-RBUKOAKNSA-N 2 2 355.482 2.872 10 0 FFAELP O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262700029 510375250 /nfs/dbraw/zinc/37/52/50/510375250.db2.gz BZANNNLNEXUVQQ-AWEZNQCLSA-N 2 2 370.844 2.899 10 0 FFAELP Cc1ccc2c(c1)[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)[C@@H](C)C2 ZINC000181947489 510674668 /nfs/dbraw/zinc/67/46/68/510674668.db2.gz KOAZWKONPDFZLV-UWJYYQICSA-N 2 2 372.557 2.896 10 0 FFAELP Cc1ccc2c(c1)[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)[C@@H](C)C2 ZINC000181947489 510674674 /nfs/dbraw/zinc/67/46/74/510674674.db2.gz KOAZWKONPDFZLV-UWJYYQICSA-N 2 2 372.557 2.896 10 0 FFAELP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)Nc3ccc(Br)cc3)CC[C@H]21 ZINC000246912828 510740473 /nfs/dbraw/zinc/74/04/73/510740473.db2.gz MRQJGNPAPQSILZ-XJKSGUPXSA-N 2 2 366.303 2.804 10 0 FFAELP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)Nc3ccc(Br)cc3)CC[C@H]21 ZINC000246912828 510740480 /nfs/dbraw/zinc/74/04/80/510740480.db2.gz MRQJGNPAPQSILZ-XJKSGUPXSA-N 2 2 366.303 2.804 10 0 FFAELP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)Nc3ccc(Br)cc3)CC[C@H]21 ZINC000246912828 510740487 /nfs/dbraw/zinc/74/04/87/510740487.db2.gz MRQJGNPAPQSILZ-XJKSGUPXSA-N 2 2 366.303 2.804 10 0 FFAELP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)Nc3ccc(Br)cc3)CC[C@H]21 ZINC000246912828 510740493 /nfs/dbraw/zinc/74/04/93/510740493.db2.gz MRQJGNPAPQSILZ-XJKSGUPXSA-N 2 2 366.303 2.804 10 0 FFAELP C[C@@H](C1CC1)N(C(=O)C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1)C1CC1 ZINC000195275023 510752306 /nfs/dbraw/zinc/75/23/06/510752306.db2.gz KJDCFQAPUHPERF-PKOBYXMFSA-N 2 2 370.541 2.625 10 0 FFAELP C[C@@H](C1CC1)N(C(=O)C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1)C1CC1 ZINC000195275023 510752320 /nfs/dbraw/zinc/75/23/20/510752320.db2.gz KJDCFQAPUHPERF-PKOBYXMFSA-N 2 2 370.541 2.625 10 0 FFAELP C[C@@H](C1CC1)N(C(=O)C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1)C1CC1 ZINC000195275023 510752330 /nfs/dbraw/zinc/75/23/30/510752330.db2.gz KJDCFQAPUHPERF-PKOBYXMFSA-N 2 2 370.541 2.625 10 0 FFAELP C[C@@H](C1CC1)N(C(=O)C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1)C1CC1 ZINC000195275023 510752344 /nfs/dbraw/zinc/75/23/44/510752344.db2.gz KJDCFQAPUHPERF-PKOBYXMFSA-N 2 2 370.541 2.625 10 0 FFAELP CC(C)CC[NH+]1CCC(CNC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)CC1 ZINC000175766782 510780822 /nfs/dbraw/zinc/78/08/22/510780822.db2.gz KRNHXROXLZOIPR-IBGZPJMESA-N 2 2 361.534 2.815 10 0 FFAELP C[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000182176224 510796595 /nfs/dbraw/zinc/79/65/95/510796595.db2.gz QQVUCPHKRUEBQQ-HOTGVXAUSA-N 2 2 361.511 2.505 10 0 FFAELP C[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000182176224 510796603 /nfs/dbraw/zinc/79/66/03/510796603.db2.gz QQVUCPHKRUEBQQ-HOTGVXAUSA-N 2 2 361.511 2.505 10 0 FFAELP C[C@@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000247285512 510855359 /nfs/dbraw/zinc/85/53/59/510855359.db2.gz DOXMDSAOEQPWHH-ROUUACIJSA-N 2 2 364.493 2.789 10 0 FFAELP C[C@@H](C(=O)N1CCc2ccccc2C1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000247285512 510855360 /nfs/dbraw/zinc/85/53/60/510855360.db2.gz DOXMDSAOEQPWHH-ROUUACIJSA-N 2 2 364.493 2.789 10 0 FFAELP C[C@H](C(=O)NC(=O)Nc1ccccc1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000247393083 510859455 /nfs/dbraw/zinc/85/94/55/510859455.db2.gz QKCBCESOLFZYMV-CVEARBPZSA-N 2 2 367.453 2.552 10 0 FFAELP C[C@H](C(=O)NC(=O)Nc1ccccc1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000247393083 510859456 /nfs/dbraw/zinc/85/94/56/510859456.db2.gz QKCBCESOLFZYMV-CVEARBPZSA-N 2 2 367.453 2.552 10 0 FFAELP C[N@@H+]1CC[C@@H](C[NH2+]Cc2nccn2CC(F)(F)F)[C@@H]1c1cccnc1 ZINC000328628228 511900473 /nfs/dbraw/zinc/90/04/73/511900473.db2.gz GZYPQOWBQISGKM-HOCLYGCPSA-N 2 2 353.392 2.623 10 0 FFAELP C[N@H+]1CC[C@@H](C[NH2+]Cc2nccn2CC(F)(F)F)[C@@H]1c1cccnc1 ZINC000328628228 511900478 /nfs/dbraw/zinc/90/04/78/511900478.db2.gz GZYPQOWBQISGKM-HOCLYGCPSA-N 2 2 353.392 2.623 10 0 FFAELP CC1CC[NH+](C[C@H]2CCCN(C(=O)NCc3cn4c([nH+]3)CCCC4)C2)CC1 ZINC000408059484 512991584 /nfs/dbraw/zinc/99/15/84/512991584.db2.gz HHMBAOFXEGPSAN-GOSISDBHSA-N 2 2 373.545 2.873 10 0 FFAELP Brc1cc2c(s1)CC[C@@H]2[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000312855488 729743902 /nfs/dbraw/zinc/74/39/02/729743902.db2.gz GXDMBSJRKLNZCD-MDZLAQPJSA-N 2 2 357.317 2.951 10 0 FFAELP Brc1cc2c(s1)CC[C@@H]2[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000312855488 729743905 /nfs/dbraw/zinc/74/39/05/729743905.db2.gz GXDMBSJRKLNZCD-MDZLAQPJSA-N 2 2 357.317 2.951 10 0 FFAELP C[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3nc4c(s3)CCC4)C2)ccn1 ZINC000886059660 733744275 /nfs/dbraw/zinc/74/42/75/733744275.db2.gz PMCSPRZAACBWGE-MRXNPFEDSA-N 2 2 358.511 2.742 10 0 FFAELP C[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3nc4c(s3)CCC4)C2)ccn1 ZINC000886059660 733744278 /nfs/dbraw/zinc/74/42/78/733744278.db2.gz PMCSPRZAACBWGE-MRXNPFEDSA-N 2 2 358.511 2.742 10 0 FFAELP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1F ZINC000105190154 250204282 /nfs/dbraw/zinc/20/42/82/250204282.db2.gz OFMSXSYCYGMQLV-KRWDZBQOSA-N 2 2 371.460 2.700 10 0 FFAELP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CC[N@H+]3CCCC[C@H]3C2)cc1F ZINC000105190154 250204289 /nfs/dbraw/zinc/20/42/89/250204289.db2.gz OFMSXSYCYGMQLV-KRWDZBQOSA-N 2 2 371.460 2.700 10 0 FFAELP Cc1ccc(NC(=O)C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)c(C)c1 ZINC000106130363 250239944 /nfs/dbraw/zinc/23/99/44/250239944.db2.gz YHWUCBHIEDVEKZ-UHFFFAOYSA-N 2 2 369.513 2.535 10 0 FFAELP Cc1ccc(NC(=O)C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)c(C)c1 ZINC000106130363 250239949 /nfs/dbraw/zinc/23/99/49/250239949.db2.gz YHWUCBHIEDVEKZ-UHFFFAOYSA-N 2 2 369.513 2.535 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)Nc2cc(OC)ccc2OC)C1 ZINC000106216818 250255003 /nfs/dbraw/zinc/25/50/03/250255003.db2.gz DOUWRSSKSFKJPA-HNNXBMFYSA-N 2 2 372.469 2.738 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)Nc2cc(OC)ccc2OC)C1 ZINC000106216818 250255007 /nfs/dbraw/zinc/25/50/07/250255007.db2.gz DOUWRSSKSFKJPA-HNNXBMFYSA-N 2 2 372.469 2.738 10 0 FFAELP C[C@@H]1CCC[C@](CNc2cc(N3CCCC[C@@H]3CO)[nH+]cn2)([NH+](C)C)C1 ZINC000302887948 258114298 /nfs/dbraw/zinc/11/42/98/258114298.db2.gz MHSBZIBKPBRQLI-HLIPFELVSA-N 2 2 361.534 2.750 10 0 FFAELP C[C@@H]1CCCN(c2cc(NC3CC[NH+]([C@@H]4CCCC[C@H]4O)CC3)nc[nH+]2)C1 ZINC000301718244 258064314 /nfs/dbraw/zinc/06/43/14/258064314.db2.gz YRHQZTBUGLNSTC-BHIYHBOVSA-N 2 2 373.545 2.893 10 0 FFAELP C[C@@H]1CCCN(c2cc(NC3CC[NH+]([C@@H]4CCCC[C@H]4O)CC3)[nH+]cn2)C1 ZINC000301718244 258064315 /nfs/dbraw/zinc/06/43/15/258064315.db2.gz YRHQZTBUGLNSTC-BHIYHBOVSA-N 2 2 373.545 2.893 10 0 FFAELP Cc1cn2c([nH+]1)[C@@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)CCC2 ZINC000332692875 258240189 /nfs/dbraw/zinc/24/01/89/258240189.db2.gz VEMRRHOUIMPWGL-MSOLQXFVSA-N 2 2 359.518 2.729 10 0 FFAELP CC[C@@H](O)C[NH+]1CCN(c2nc(C)[nH+]c(C)c2Cc2ccc(F)cc2)CC1 ZINC000036340337 506402318 /nfs/dbraw/zinc/40/23/18/506402318.db2.gz VFRZHTRCRDDPIE-LJQANCHMSA-N 2 2 372.488 2.716 10 0 FFAELP C[NH+](C)C[C@H](NC(=O)NCc1ccc(N2CCCC2)[nH+]c1)c1ccccc1 ZINC000048215390 507480326 /nfs/dbraw/zinc/48/03/26/507480326.db2.gz ZYNIUUCBHUBSQD-IBGZPJMESA-N 2 2 367.497 2.784 10 0 FFAELP C[C@H](CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000106905047 507827193 /nfs/dbraw/zinc/82/71/93/507827193.db2.gz UECWAMVDBQXADP-XMSQKQJNSA-N 2 2 365.521 2.722 10 0 FFAELP C[C@H](CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000106905047 507827195 /nfs/dbraw/zinc/82/71/95/507827195.db2.gz UECWAMVDBQXADP-XMSQKQJNSA-N 2 2 365.521 2.722 10 0 FFAELP CC(C)[C@@H](C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000107667091 507862454 /nfs/dbraw/zinc/86/24/54/507862454.db2.gz TVDIXRGWSFFICZ-ZRNYENFQSA-N 2 2 365.562 2.597 10 0 FFAELP Cc1ccc2c(C[NH+]3CCN(C[C@@H]4CCCC[N@H+]4C)CC3)cc(=O)oc2c1 ZINC000109750885 507984151 /nfs/dbraw/zinc/98/41/51/507984151.db2.gz ZHQJIGAGNYPRKT-IBGZPJMESA-N 2 2 369.509 2.703 10 0 FFAELP Cc1ccc2c(C[NH+]3CCN(C[C@@H]4CCCC[N@@H+]4C)CC3)cc(=O)oc2c1 ZINC000109750885 507984152 /nfs/dbraw/zinc/98/41/52/507984152.db2.gz ZHQJIGAGNYPRKT-IBGZPJMESA-N 2 2 369.509 2.703 10 0 FFAELP CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000077697341 508353791 /nfs/dbraw/zinc/35/37/91/508353791.db2.gz QVTVMDOTTYOTIN-HNNXBMFYSA-N 2 2 370.453 2.659 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)NCCOc2cccc(C)c2)C1 ZINC000106216037 508398146 /nfs/dbraw/zinc/39/81/46/508398146.db2.gz JATNMFIBDCBQCP-SFHVURJKSA-N 2 2 370.497 2.586 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)NCCOc2cccc(C)c2)C1 ZINC000106216037 508398147 /nfs/dbraw/zinc/39/81/47/508398147.db2.gz JATNMFIBDCBQCP-SFHVURJKSA-N 2 2 370.497 2.586 10 0 FFAELP O=C(C[N@@H+]1CCC[C@H]1c1ccco1)N1CC[NH+](Cc2cccs2)CC1 ZINC000116298118 508496071 /nfs/dbraw/zinc/49/60/71/508496071.db2.gz JZIXPNMZLQPVGO-KRWDZBQOSA-N 2 2 359.495 2.822 10 0 FFAELP O=C(C[N@H+]1CCC[C@H]1c1ccco1)N1CC[NH+](Cc2cccs2)CC1 ZINC000116298118 508496073 /nfs/dbraw/zinc/49/60/73/508496073.db2.gz JZIXPNMZLQPVGO-KRWDZBQOSA-N 2 2 359.495 2.822 10 0 FFAELP C[NH+](C)C[C@@H]1CN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CCO1 ZINC000118823634 508679711 /nfs/dbraw/zinc/67/97/11/508679711.db2.gz KUMFGDJFHLZLFD-GOSISDBHSA-N 2 2 356.426 2.668 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCCS(=O)(=O)c1cccc(C)c1 ZINC000155312925 508974675 /nfs/dbraw/zinc/97/46/75/508974675.db2.gz KYTCKKMITGQIAW-GOSISDBHSA-N 2 2 361.511 2.828 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCCS(=O)(=O)c1cccc(C)c1 ZINC000155312925 508974679 /nfs/dbraw/zinc/97/46/79/508974679.db2.gz KYTCKKMITGQIAW-GOSISDBHSA-N 2 2 361.511 2.828 10 0 FFAELP C[NH+]1CCN([C@@H]2CCCC[N@H+](Cc3nnc(-c4ccccc4)s3)C2)CC1 ZINC000155598701 509034938 /nfs/dbraw/zinc/03/49/38/509034938.db2.gz UGVKZXPRYRNBHA-GOSISDBHSA-N 2 2 371.554 2.807 10 0 FFAELP C[NH+]1CCN([C@@H]2CCCC[N@@H+](Cc3nnc(-c4ccccc4)s3)C2)CC1 ZINC000155598701 509034942 /nfs/dbraw/zinc/03/49/42/509034942.db2.gz UGVKZXPRYRNBHA-GOSISDBHSA-N 2 2 371.554 2.807 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NC[C@H](c2ccco2)[NH+](C)C)C1 ZINC000151901638 509106931 /nfs/dbraw/zinc/10/69/31/509106931.db2.gz SVMDBCMSSPMEMC-JKSUJKDBSA-N 2 2 359.474 2.688 10 0 FFAELP Cc1noc([C@@H](C)N2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3C)CC2)n1 ZINC000192003938 509288785 /nfs/dbraw/zinc/28/87/85/509288785.db2.gz VNNZRQIBTWTDJW-MRXNPFEDSA-N 2 2 366.469 2.751 10 0 FFAELP CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248640399 509407410 /nfs/dbraw/zinc/40/74/10/509407410.db2.gz CAESTMNTWADKCP-VQTJNVASSA-N 2 2 358.530 2.626 10 0 FFAELP CC[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248640399 509407415 /nfs/dbraw/zinc/40/74/15/509407415.db2.gz CAESTMNTWADKCP-VQTJNVASSA-N 2 2 358.530 2.626 10 0 FFAELP CC[C@@H]1CCCCN1C(=O)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248640399 509407433 /nfs/dbraw/zinc/40/74/33/509407433.db2.gz CAESTMNTWADKCP-VQTJNVASSA-N 2 2 358.530 2.626 10 0 FFAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC(C)(C)C)C1 ZINC000248640405 509407913 /nfs/dbraw/zinc/40/79/13/509407913.db2.gz CANDHDACAIFHBD-CABCVRRESA-N 2 2 352.548 2.508 10 0 FFAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)NC(C)(C)C)C1 ZINC000248640405 509407923 /nfs/dbraw/zinc/40/79/23/509407923.db2.gz CANDHDACAIFHBD-CABCVRRESA-N 2 2 352.548 2.508 10 0 FFAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)NC(C)(C)C)C1 ZINC000248640405 509407934 /nfs/dbraw/zinc/40/79/34/509407934.db2.gz CANDHDACAIFHBD-CABCVRRESA-N 2 2 352.548 2.508 10 0 FFAELP C[C@@H]1CCC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)[C@H]1C ZINC000248659536 509424067 /nfs/dbraw/zinc/42/40/67/509424067.db2.gz VIMLALAYHZILLO-ZFMNYDKASA-N 2 2 372.557 2.776 10 0 FFAELP C[C@@H]1CCC[C@H](NC(=O)C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)[C@H]1C ZINC000248659536 509424072 /nfs/dbraw/zinc/42/40/72/509424072.db2.gz VIMLALAYHZILLO-ZFMNYDKASA-N 2 2 372.557 2.776 10 0 FFAELP C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)[C@H]1C ZINC000248659536 509424077 /nfs/dbraw/zinc/42/40/77/509424077.db2.gz VIMLALAYHZILLO-ZFMNYDKASA-N 2 2 372.557 2.776 10 0 FFAELP C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)[C@H]1C ZINC000248659536 509424080 /nfs/dbraw/zinc/42/40/80/509424080.db2.gz VIMLALAYHZILLO-ZFMNYDKASA-N 2 2 372.557 2.776 10 0 FFAELP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)cc1C ZINC000182910889 509491351 /nfs/dbraw/zinc/49/13/51/509491351.db2.gz SMOMKCSHWAZWBN-CTNGQTDRSA-N 2 2 372.557 2.732 10 0 FFAELP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)cc1C ZINC000182910889 509491359 /nfs/dbraw/zinc/49/13/59/509491359.db2.gz SMOMKCSHWAZWBN-CTNGQTDRSA-N 2 2 372.557 2.732 10 0 FFAELP O=S1(=O)CC[C@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)c2ccccc21 ZINC000186128606 509535432 /nfs/dbraw/zinc/53/54/32/509535432.db2.gz TWQBIVIKWKBMAQ-KRWDZBQOSA-N 2 2 353.447 2.881 10 0 FFAELP O[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C[NH+]1CCCCC1 ZINC000249048920 509582962 /nfs/dbraw/zinc/58/29/62/509582962.db2.gz WYXZXQXEYWMGDI-CIAFKFPVSA-N 3 2 357.542 2.618 10 0 FFAELP O[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C[NH+]1CCCCC1 ZINC000249048920 509582971 /nfs/dbraw/zinc/58/29/71/509582971.db2.gz WYXZXQXEYWMGDI-CIAFKFPVSA-N 3 2 357.542 2.618 10 0 FFAELP C[N@@H+]1CCO[C@H]([C@H](NC(=O)c2ccc(C[NH3+])cc2)c2ccc(Cl)cc2)C1 ZINC000186484401 509733339 /nfs/dbraw/zinc/73/33/39/509733339.db2.gz GBBGUEXLCWUPAR-RBUKOAKNSA-N 2 2 373.884 2.600 10 0 FFAELP C[N@H+]1CCO[C@H]([C@H](NC(=O)c2ccc(C[NH3+])cc2)c2ccc(Cl)cc2)C1 ZINC000186484401 509733343 /nfs/dbraw/zinc/73/33/43/509733343.db2.gz GBBGUEXLCWUPAR-RBUKOAKNSA-N 2 2 373.884 2.600 10 0 FFAELP 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/nfs/dbraw/zinc/99/61/18/509996118.db2.gz LNCJKEIXJVBOQV-SNHGZMDHSA-N 2 2 355.526 2.625 10 0 FFAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2nc(C(C)(C)C)no2)nc[nH+]1 ZINC000174285700 510038531 /nfs/dbraw/zinc/03/85/31/510038531.db2.gz UOTFOJZHVMXFKD-CHWSQXEVSA-N 2 2 359.478 2.518 10 0 FFAELP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177449827 510067537 /nfs/dbraw/zinc/06/75/37/510067537.db2.gz XUFDJMIFKINUQQ-MRXNPFEDSA-N 2 2 368.416 2.582 10 0 FFAELP COc1ccccc1NC(=O)C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000171653178 510284081 /nfs/dbraw/zinc/28/40/81/510284081.db2.gz WUBZLPFIJYBIGR-MRXNPFEDSA-N 2 2 354.454 2.771 10 0 FFAELP COc1ccccc1NC(=O)C[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000171653178 510284086 /nfs/dbraw/zinc/28/40/86/510284086.db2.gz WUBZLPFIJYBIGR-MRXNPFEDSA-N 2 2 354.454 2.771 10 0 FFAELP Cc1cccc(C)c1OC[C@@H](O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246105502 510296902 /nfs/dbraw/zinc/29/69/02/510296902.db2.gz IOGVRFIRMIBDCO-OALUTQOASA-N 2 2 355.482 2.872 10 0 FFAELP Cc1cccc(C)c1OC[C@@H](O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246105502 510296909 /nfs/dbraw/zinc/29/69/09/510296909.db2.gz IOGVRFIRMIBDCO-OALUTQOASA-N 2 2 355.482 2.872 10 0 FFAELP C[C@@H](C(=O)N1CCc2ccccc21)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246171947 510337670 /nfs/dbraw/zinc/33/76/70/510337670.db2.gz SKSVARAWSXDGGD-IRXDYDNUSA-N 2 2 350.466 2.793 10 0 FFAELP C[C@@H](C(=O)N1CCc2ccccc21)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246171947 510337678 /nfs/dbraw/zinc/33/76/78/510337678.db2.gz SKSVARAWSXDGGD-IRXDYDNUSA-N 2 2 350.466 2.793 10 0 FFAELP C[C@]1(CNC(=O)[C@@H]2CCCn3cc[nH+]c32)CCC[N@@H+]1Cc1ccccc1 ZINC000187758335 510421120 /nfs/dbraw/zinc/42/11/20/510421120.db2.gz CZQJPRSISTVMNF-WIYYLYMNSA-N 2 2 352.482 2.931 10 0 FFAELP C[C@]1(CNC(=O)[C@@H]2CCCn3cc[nH+]c32)CCC[N@H+]1Cc1ccccc1 ZINC000187758335 510421127 /nfs/dbraw/zinc/42/11/27/510421127.db2.gz CZQJPRSISTVMNF-WIYYLYMNSA-N 2 2 352.482 2.931 10 0 FFAELP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccccc2-n2cc[nH+]c2)[C@@H](C)C1 ZINC000246325389 510427754 /nfs/dbraw/zinc/42/77/54/510427754.db2.gz CNZNMZHJPXWGMB-WMZOPIPTSA-N 2 2 355.486 2.744 10 0 FFAELP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccccc2-n2cc[nH+]c2)[C@@H](C)C1 ZINC000246325389 510427759 /nfs/dbraw/zinc/42/77/59/510427759.db2.gz CNZNMZHJPXWGMB-WMZOPIPTSA-N 2 2 355.486 2.744 10 0 FFAELP CCn1c(C)nnc1C[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000181628827 510509511 /nfs/dbraw/zinc/50/95/11/510509511.db2.gz MYNMEHLMHQHQGG-HNNXBMFYSA-N 2 2 374.508 2.738 10 0 FFAELP CCn1c(C)nnc1C[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000181628841 510510086 /nfs/dbraw/zinc/51/00/86/510510086.db2.gz MYNMEHLMHQHQGG-OAHLLOKOSA-N 2 2 374.508 2.738 10 0 FFAELP COc1ccc(NC(=O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1OC ZINC000246529614 510539452 /nfs/dbraw/zinc/53/94/52/510539452.db2.gz JIKLWHSPPKLGMB-YJBOKZPZSA-N 2 2 373.497 2.591 10 0 FFAELP COc1ccc(NC(=O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1OC ZINC000246529614 510539458 /nfs/dbraw/zinc/53/94/58/510539458.db2.gz JIKLWHSPPKLGMB-YJBOKZPZSA-N 2 2 373.497 2.591 10 0 FFAELP COc1ccc(NC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1OC ZINC000246529614 510539462 /nfs/dbraw/zinc/53/94/62/510539462.db2.gz JIKLWHSPPKLGMB-YJBOKZPZSA-N 2 2 373.497 2.591 10 0 FFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1nc(COc2ccc(F)cc2)no1 ZINC000178314354 510541119 /nfs/dbraw/zinc/54/11/19/510541119.db2.gz FRWPHYGVXCRUSY-INIZCTEOSA-N 2 2 371.416 2.957 10 0 FFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1nc(COc2ccc(F)cc2)no1 ZINC000178314354 510541124 /nfs/dbraw/zinc/54/11/24/510541124.db2.gz FRWPHYGVXCRUSY-INIZCTEOSA-N 2 2 371.416 2.957 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@H](O)COCc1ccccc1Cl ZINC000178320742 510544935 /nfs/dbraw/zinc/54/49/35/510544935.db2.gz XVKZFSRVGBDEAA-MSOLQXFVSA-N 2 2 363.889 2.887 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@H](O)COCc1ccccc1Cl ZINC000178320742 510544941 /nfs/dbraw/zinc/54/49/41/510544941.db2.gz XVKZFSRVGBDEAA-MSOLQXFVSA-N 2 2 363.889 2.887 10 0 FFAELP C[N@H+](Cc1ccc(Br)o1)C1CC[NH+](CCn2cccn2)CC1 ZINC000191338492 510610991 /nfs/dbraw/zinc/61/09/91/510610991.db2.gz RBQUEHIVNMJZJQ-UHFFFAOYSA-N 2 2 367.291 2.835 10 0 FFAELP C[N@@H+](Cc1ccc(Br)o1)C1CC[NH+](CCn2cccn2)CC1 ZINC000191338492 510610999 /nfs/dbraw/zinc/61/09/99/510610999.db2.gz RBQUEHIVNMJZJQ-UHFFFAOYSA-N 2 2 367.291 2.835 10 0 FFAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)NCCC(C)C)C1 ZINC000195264028 510745515 /nfs/dbraw/zinc/74/55/15/510745515.db2.gz ACRJLCRDEWBWNR-DLBZAZTESA-N 2 2 366.575 2.756 10 0 FFAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)NCCC(C)C)C1 ZINC000195264028 510745519 /nfs/dbraw/zinc/74/55/19/510745519.db2.gz ACRJLCRDEWBWNR-DLBZAZTESA-N 2 2 366.575 2.756 10 0 FFAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)NCCC(C)C)C1 ZINC000195264028 510745527 /nfs/dbraw/zinc/74/55/27/510745527.db2.gz ACRJLCRDEWBWNR-DLBZAZTESA-N 2 2 366.575 2.756 10 0 FFAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)NCCC(C)C)C1 ZINC000195264028 510745532 /nfs/dbraw/zinc/74/55/32/510745532.db2.gz ACRJLCRDEWBWNR-DLBZAZTESA-N 2 2 366.575 2.756 10 0 FFAELP COC(=O)c1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)s1 ZINC000195270783 510750661 /nfs/dbraw/zinc/75/06/61/510750661.db2.gz BIAOUSULHLTQJD-MRXNPFEDSA-N 2 2 359.495 2.884 10 0 FFAELP COC(=O)c1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)s1 ZINC000195270783 510750669 /nfs/dbraw/zinc/75/06/69/510750669.db2.gz BIAOUSULHLTQJD-MRXNPFEDSA-N 2 2 359.495 2.884 10 0 FFAELP COC(=O)c1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)s1 ZINC000195270783 510750674 /nfs/dbraw/zinc/75/06/74/510750674.db2.gz BIAOUSULHLTQJD-MRXNPFEDSA-N 2 2 359.495 2.884 10 0 FFAELP COC(=O)c1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)s1 ZINC000195270783 510750682 /nfs/dbraw/zinc/75/06/82/510750682.db2.gz BIAOUSULHLTQJD-MRXNPFEDSA-N 2 2 359.495 2.884 10 0 FFAELP Cc1ccc2[nH+]c(CSCC(=O)N3C[C@H]4CCC[N@H+]4C[C@H]3C)cn2c1 ZINC000246995889 510789281 /nfs/dbraw/zinc/78/92/81/510789281.db2.gz FJDQCEYLOXNQHP-NVXWUHKLSA-N 2 2 358.511 2.571 10 0 FFAELP Cc1ccc2[nH+]c(CSCC(=O)N3C[C@H]4CCC[N@@H+]4C[C@H]3C)cn2c1 ZINC000246995889 510789287 /nfs/dbraw/zinc/78/92/87/510789287.db2.gz FJDQCEYLOXNQHP-NVXWUHKLSA-N 2 2 358.511 2.571 10 0 FFAELP Cn1ncc2c1nc[nH+]c2N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000247065555 510823527 /nfs/dbraw/zinc/82/35/27/510823527.db2.gz PVILXWOLSUFBGI-HKUYNNGSSA-N 2 2 362.481 2.854 10 0 FFAELP Cn1ncc2c1nc[nH+]c2N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000247065555 510823533 /nfs/dbraw/zinc/82/35/33/510823533.db2.gz PVILXWOLSUFBGI-HKUYNNGSSA-N 2 2 362.481 2.854 10 0 FFAELP C[C@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000247285507 510855475 /nfs/dbraw/zinc/85/54/75/510855475.db2.gz DOXMDSAOEQPWHH-MSOLQXFVSA-N 2 2 364.493 2.789 10 0 FFAELP C[C@H](C(=O)N1CCc2ccccc2C1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000247285507 510855476 /nfs/dbraw/zinc/85/54/76/510855476.db2.gz DOXMDSAOEQPWHH-MSOLQXFVSA-N 2 2 364.493 2.789 10 0 FFAELP Cc1cc(C)cc(OC[C@@H](O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000247321079 510856980 /nfs/dbraw/zinc/85/69/80/510856980.db2.gz IBWGAYZTUWDEBS-OALUTQOASA-N 2 2 355.482 2.872 10 0 FFAELP Cc1cc(C)cc(OC[C@@H](O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000247321079 510856981 /nfs/dbraw/zinc/85/69/81/510856981.db2.gz IBWGAYZTUWDEBS-OALUTQOASA-N 2 2 355.482 2.872 10 0 FFAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+]([C@H](C)c3cc(F)ccc3F)CC2)C1 ZINC000247813242 510871067 /nfs/dbraw/zinc/87/10/67/510871067.db2.gz VNPUJCBQHJXMSY-AEFFLSMTSA-N 2 2 367.484 2.753 10 0 FFAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+]([C@H](C)c3cc(F)ccc3F)CC2)C1 ZINC000247813242 510871068 /nfs/dbraw/zinc/87/10/68/510871068.db2.gz VNPUJCBQHJXMSY-AEFFLSMTSA-N 2 2 367.484 2.753 10 0 FFAELP COc1ccccc1[C@H](C)NC(=O)C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000106165619 250247063 /nfs/dbraw/zinc/24/70/63/250247063.db2.gz FQUVEOZBPUCAGN-INIZCTEOSA-N 2 2 370.497 2.561 10 0 FFAELP Cc1cnn([C@H]2CCC[N@H+](C[C@H](O)Cn3c[nH+]c4cc(C)c(C)cc43)C2)c1 ZINC000106220391 250259450 /nfs/dbraw/zinc/25/94/50/250259450.db2.gz AGLNPZZSHYMATI-OALUTQOASA-N 2 2 367.497 2.856 10 0 FFAELP Cc1cnn([C@H]2CCC[N@@H+](C[C@H](O)Cn3c[nH+]c4cc(C)c(C)cc43)C2)c1 ZINC000106220391 250259452 /nfs/dbraw/zinc/25/94/52/250259452.db2.gz AGLNPZZSHYMATI-OALUTQOASA-N 2 2 367.497 2.856 10 0 FFAELP C[C@H](c1ccc(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1)[NH+]1CCOCC1 ZINC000118030744 250372541 /nfs/dbraw/zinc/37/25/41/250372541.db2.gz FRXLFNDMCTZBOD-YLJYHZDGSA-N 2 2 372.513 2.782 10 0 FFAELP C[C@H](c1ccc(NC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cc1)[NH+]1CCOCC1 ZINC000118030744 250372543 /nfs/dbraw/zinc/37/25/43/250372543.db2.gz FRXLFNDMCTZBOD-YLJYHZDGSA-N 2 2 372.513 2.782 10 0 FFAELP Cc1nc(N2C[C@H]3OCC[N@H+](Cc4ccccc4)[C@@H]3C2)c2c([nH+]1)CCCC2 ZINC000302081670 258086853 /nfs/dbraw/zinc/08/68/53/258086853.db2.gz JJABIRSQZYRBNX-NHCUHLMSSA-N 2 2 364.493 2.753 10 0 FFAELP Cc1nc(N2C[C@H]3OCC[N@@H+](Cc4ccccc4)[C@@H]3C2)c2c([nH+]1)CCCC2 ZINC000302081670 258086854 /nfs/dbraw/zinc/08/68/54/258086854.db2.gz JJABIRSQZYRBNX-NHCUHLMSSA-N 2 2 364.493 2.753 10 0 FFAELP C[C@H](CNC(=O)c1cc(C[N@H+](C)Cc2ccccc2)on1)[NH+]1CCCC1 ZINC000067789353 507010009 /nfs/dbraw/zinc/01/00/09/507010009.db2.gz GTDUAGYWYLZYIS-MRXNPFEDSA-N 2 2 356.470 2.521 10 0 FFAELP C[C@H](CNC(=O)c1cc(C[N@@H+](C)Cc2ccccc2)on1)[NH+]1CCCC1 ZINC000067789353 507010013 /nfs/dbraw/zinc/01/00/13/507010013.db2.gz GTDUAGYWYLZYIS-MRXNPFEDSA-N 2 2 356.470 2.521 10 0 FFAELP CC[N@@H+]1CCC[C@H](NC(=O)NCc2ccc(N3CCC(C)CC3)[nH+]c2)C1 ZINC000057821152 507336847 /nfs/dbraw/zinc/33/68/47/507336847.db2.gz UVNNSJZYNSJTQU-SFHVURJKSA-N 2 2 359.518 2.601 10 0 FFAELP CC[N@H+]1CCC[C@H](NC(=O)NCc2ccc(N3CCC(C)CC3)[nH+]c2)C1 ZINC000057821152 507336855 /nfs/dbraw/zinc/33/68/55/507336855.db2.gz UVNNSJZYNSJTQU-SFHVURJKSA-N 2 2 359.518 2.601 10 0 FFAELP CC[NH+](CC)[C@@H](CNc1cc(N2CCC[C@@H]2CO)[nH+]cn1)c1ccccc1 ZINC000110114063 508007936 /nfs/dbraw/zinc/00/79/36/508007936.db2.gz YMTOONOVFHCXFK-MOPGFXCFSA-N 2 2 369.513 2.933 10 0 FFAELP CC[NH+](CC)[C@H](CNc1cc(N2CCC[C@@H]2CO)[nH+]cn1)c1ccco1 ZINC000110319343 508020718 /nfs/dbraw/zinc/02/07/18/508020718.db2.gz KCPZCEXMCLKSHW-HZPDHXFCSA-N 2 2 359.474 2.526 10 0 FFAELP O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@H]1CCCn2cc[nH+]c21 ZINC000080577468 508084877 /nfs/dbraw/zinc/08/48/77/508084877.db2.gz JXINMKYYGLLBDJ-SFHVURJKSA-N 2 2 356.445 2.680 10 0 FFAELP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)NC[C@H](C)C[NH+]1CCCCC1)C2 ZINC000112745113 508219219 /nfs/dbraw/zinc/21/92/19/508219219.db2.gz AAECKKMDPYLAQP-INIZCTEOSA-N 2 2 361.534 2.733 10 0 FFAELP Cc1nc2n(n1)CCC[C@@H]2[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000151096371 508956035 /nfs/dbraw/zinc/95/60/35/508956035.db2.gz CTPHHJWOZDRRMU-IBGZPJMESA-N 2 2 368.529 2.742 10 0 FFAELP C[NH+]1CCN([C@H]2CCCC[N@H+](Cc3nnc(-c4ccccc4)s3)C2)CC1 ZINC000155598820 509035230 /nfs/dbraw/zinc/03/52/30/509035230.db2.gz UGVKZXPRYRNBHA-SFHVURJKSA-N 2 2 371.554 2.807 10 0 FFAELP C[NH+]1CCN([C@H]2CCCC[N@@H+](Cc3nnc(-c4ccccc4)s3)C2)CC1 ZINC000155598820 509035232 /nfs/dbraw/zinc/03/52/32/509035232.db2.gz UGVKZXPRYRNBHA-SFHVURJKSA-N 2 2 371.554 2.807 10 0 FFAELP C[C@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(F)cc1N(C)C ZINC000151799399 509085927 /nfs/dbraw/zinc/08/59/27/509085927.db2.gz DCOXWGNMMSKAMX-JXFKEZNVSA-N 2 2 371.500 2.962 10 0 FFAELP C[C@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(F)cc1N(C)C ZINC000151799399 509085930 /nfs/dbraw/zinc/08/59/30/509085930.db2.gz DCOXWGNMMSKAMX-JXFKEZNVSA-N 2 2 371.500 2.962 10 0 FFAELP O[C@H]1CCCC[C@@H]1[NH+]1CCC(Nc2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000132901417 509089437 /nfs/dbraw/zinc/08/94/37/509089437.db2.gz HQOXHMZXANWZHP-ROUUACIJSA-N 2 2 359.518 2.647 10 0 FFAELP O[C@H]1CCCC[C@@H]1[NH+]1CCC(Nc2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000132901417 509089440 /nfs/dbraw/zinc/08/94/40/509089440.db2.gz HQOXHMZXANWZHP-ROUUACIJSA-N 2 2 359.518 2.647 10 0 FFAELP C[N@H+](CC(=O)OC(C)(C)C)C1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000191977891 509273649 /nfs/dbraw/zinc/27/36/49/509273649.db2.gz FUNPMQVFXCYDEP-UHFFFAOYSA-N 2 2 353.551 2.600 10 0 FFAELP C[N@@H+](CC(=O)OC(C)(C)C)C1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000191977891 509273656 /nfs/dbraw/zinc/27/36/56/509273656.db2.gz FUNPMQVFXCYDEP-UHFFFAOYSA-N 2 2 353.551 2.600 10 0 FFAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1nnc(C2CC2)n1C ZINC000248402389 509296686 /nfs/dbraw/zinc/29/66/86/509296686.db2.gz UVIFYXPJNASKDF-IGOJGBNBSA-N 2 2 353.514 2.939 10 0 FFAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1nnc(C2CC2)n1C ZINC000248402389 509296691 /nfs/dbraw/zinc/29/66/91/509296691.db2.gz UVIFYXPJNASKDF-IGOJGBNBSA-N 2 2 353.514 2.939 10 0 FFAELP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@H]2C[C@H](F)C[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000188998620 509362477 /nfs/dbraw/zinc/36/24/77/509362477.db2.gz KHUVBUTVYRTVFG-SJWGOKEGSA-N 2 2 371.859 2.819 10 0 FFAELP CC(C)[N@H+]1CC[C@H](NC(=O)[C@H]2C[C@H](F)C[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000188998620 509362483 /nfs/dbraw/zinc/36/24/83/509362483.db2.gz KHUVBUTVYRTVFG-SJWGOKEGSA-N 2 2 371.859 2.819 10 0 FFAELP C[C@@H](C(=O)NCc1ccccc1)[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248648027 509415954 /nfs/dbraw/zinc/41/59/54/509415954.db2.gz JDNKLLJKQLQBGX-RXVVDRJESA-N 2 2 366.509 2.540 10 0 FFAELP C[C@@H](C(=O)NCc1ccccc1)[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248648027 509415960 /nfs/dbraw/zinc/41/59/60/509415960.db2.gz JDNKLLJKQLQBGX-RXVVDRJESA-N 2 2 366.509 2.540 10 0 FFAELP C[C@@H](C(=O)NCc1ccccc1)[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248648027 509415968 /nfs/dbraw/zinc/41/59/68/509415968.db2.gz JDNKLLJKQLQBGX-RXVVDRJESA-N 2 2 366.509 2.540 10 0 FFAELP C[C@@H](C(=O)NCc1ccccc1)[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248648027 509415973 /nfs/dbraw/zinc/41/59/73/509415973.db2.gz JDNKLLJKQLQBGX-RXVVDRJESA-N 2 2 366.509 2.540 10 0 FFAELP C[N@H+](CC(=O)OC(C)(C)C)[C@@H]1CCCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000192269255 509436867 /nfs/dbraw/zinc/43/68/67/509436867.db2.gz DBBAQPQICUNVEY-MRXNPFEDSA-N 2 2 360.502 2.986 10 0 FFAELP C[N@@H+](CC(=O)OC(C)(C)C)[C@@H]1CCCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000192269255 509436874 /nfs/dbraw/zinc/43/68/74/509436874.db2.gz DBBAQPQICUNVEY-MRXNPFEDSA-N 2 2 360.502 2.986 10 0 FFAELP Brc1ccc([C@@H]([NH2+]CCn2cc[nH+]c2)c2cncnc2)cc1 ZINC000186079632 509511178 /nfs/dbraw/zinc/51/11/78/509511178.db2.gz SGVJVFFWDCPXIN-MRXNPFEDSA-N 2 2 358.243 2.815 10 0 FFAELP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000248905237 509538213 /nfs/dbraw/zinc/53/82/13/509538213.db2.gz UUVPKQXGNACHRH-FXAWDEMLSA-N 2 2 367.497 2.750 10 0 FFAELP CCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccncc3)CC2)C12CCOCC2 ZINC000186258370 509606490 /nfs/dbraw/zinc/60/64/90/509606490.db2.gz NPSMCDMHHGAVRU-UXHICEINSA-N 2 2 359.514 2.610 10 0 FFAELP C[C@@H](NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173455180 509609513 /nfs/dbraw/zinc/60/95/13/509609513.db2.gz QTPTVWHHVOXXSO-VQIMIIECSA-N 2 2 351.454 2.589 10 0 FFAELP CC(C)[NH+]1CCN(CCC[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000192793877 509647169 /nfs/dbraw/zinc/64/71/69/509647169.db2.gz YPIXUFZHASQENP-LJQANCHMSA-N 3 2 355.530 2.939 10 0 FFAELP CCOC(=O)c1nn(C)cc1C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000186367913 509672605 /nfs/dbraw/zinc/67/26/05/509672605.db2.gz SQMHGSRIENXBES-AWEZNQCLSA-N 2 2 353.426 2.633 10 0 FFAELP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c(C)c1 ZINC000245446626 509941765 /nfs/dbraw/zinc/94/17/65/509941765.db2.gz ZZTZAOMEGVNKHI-VQTJNVASSA-N 2 2 372.557 2.732 10 0 FFAELP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c(C)c1 ZINC000245446626 509941776 /nfs/dbraw/zinc/94/17/76/509941776.db2.gz ZZTZAOMEGVNKHI-VQTJNVASSA-N 2 2 372.557 2.732 10 0 FFAELP COC(=O)[C@H](C)Oc1ccc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000245570022 510014909 /nfs/dbraw/zinc/01/49/09/510014909.db2.gz WQMGNTJCSQXVFK-WMZOPIPTSA-N 2 2 369.465 2.956 10 0 FFAELP COC(=O)[C@H](C)Oc1ccc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000245570022 510014911 /nfs/dbraw/zinc/01/49/11/510014911.db2.gz WQMGNTJCSQXVFK-WMZOPIPTSA-N 2 2 369.465 2.956 10 0 FFAELP C[C@@H]([NH2+]CC(=O)NCc1ccc(F)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180647173 510032912 /nfs/dbraw/zinc/03/29/12/510032912.db2.gz COQPNKKZYXYDLB-OAHLLOKOSA-N 2 2 352.413 2.978 10 0 FFAELP CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+]([C@H](C)c3cccc(OC)c3)CC2)C1 ZINC000245832442 510158861 /nfs/dbraw/zinc/15/88/61/510158861.db2.gz SXJFIXSUGVOMFC-IEBWSBKVSA-N 2 2 374.529 2.568 10 0 FFAELP CC[N@H+]1CCC[C@@H](NC(=O)N2CC[NH+]([C@H](C)c3cccc(OC)c3)CC2)C1 ZINC000245832442 510158868 /nfs/dbraw/zinc/15/88/68/510158868.db2.gz SXJFIXSUGVOMFC-IEBWSBKVSA-N 2 2 374.529 2.568 10 0 FFAELP O=S(=O)(CCC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)c1ccccc1 ZINC000171640946 510269489 /nfs/dbraw/zinc/26/94/89/510269489.db2.gz HDXZNQNVCSWMKH-KRWDZBQOSA-N 2 2 359.495 2.679 10 0 FFAELP O=S(=O)(CCC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)c1ccccc1 ZINC000171640946 510269495 /nfs/dbraw/zinc/26/94/95/510269495.db2.gz HDXZNQNVCSWMKH-KRWDZBQOSA-N 2 2 359.495 2.679 10 0 FFAELP CN(C)c1ccc(NC(=O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171642424 510270298 /nfs/dbraw/zinc/27/02/98/510270298.db2.gz HZGGORFFTRQPJB-INIZCTEOSA-N 2 2 353.470 2.520 10 0 FFAELP CN(C)c1ccc(NC(=O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171642424 510270304 /nfs/dbraw/zinc/27/03/04/510270304.db2.gz HZGGORFFTRQPJB-INIZCTEOSA-N 2 2 353.470 2.520 10 0 FFAELP CC(=O)c1cccc(NC(=O)C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)c1 ZINC000171653557 510284279 /nfs/dbraw/zinc/28/42/79/510284279.db2.gz WNUQLMYTGUMKFQ-QGZVFWFLSA-N 2 2 366.465 2.965 10 0 FFAELP CC(=O)c1cccc(NC(=O)C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)c1 ZINC000171653557 510284287 /nfs/dbraw/zinc/28/42/87/510284287.db2.gz WNUQLMYTGUMKFQ-QGZVFWFLSA-N 2 2 366.465 2.965 10 0 FFAELP CC[C@H](O)C[NH+]1CCN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000181208713 510303749 /nfs/dbraw/zinc/30/37/49/510303749.db2.gz VUCAWNVIOVDWAE-KRWDZBQOSA-N 2 2 370.453 2.794 10 0 FFAELP COc1ccc(Cl)cc1C[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000174880528 510361185 /nfs/dbraw/zinc/36/11/85/510361185.db2.gz WPRCFFNDDYRCHT-GOSISDBHSA-N 2 2 351.922 2.951 10 0 FFAELP COc1ccc(Cl)cc1C[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000174880528 510361188 /nfs/dbraw/zinc/36/11/88/510361188.db2.gz WPRCFFNDDYRCHT-GOSISDBHSA-N 2 2 351.922 2.951 10 0 FFAELP C[C@H]1C[NH+](CCCC[NH2+]C2CC[NH+](Cc3cccnc3)CC2)C[C@H](C)O1 ZINC000178041462 510397114 /nfs/dbraw/zinc/39/71/14/510397114.db2.gz PHFQJCZLGCVCIG-OALUTQOASA-N 3 2 360.546 2.525 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NCCc2cccs2)C1 ZINC000246708011 510626959 /nfs/dbraw/zinc/62/69/59/510626959.db2.gz KZGWADADVCFTQW-HZPDHXFCSA-N 2 2 360.527 2.891 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)NCCc2cccs2)C1 ZINC000246708011 510626968 /nfs/dbraw/zinc/62/69/68/510626968.db2.gz KZGWADADVCFTQW-HZPDHXFCSA-N 2 2 360.527 2.891 10 0 FFAELP O=C1O[C@@H](C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CN1c1ccccc1 ZINC000246742070 510647796 /nfs/dbraw/zinc/64/77/96/510647796.db2.gz MTUDLHKDPQAVGT-WMZOPIPTSA-N 2 2 352.438 2.841 10 0 FFAELP O=C1O[C@@H](C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CN1c1ccccc1 ZINC000246742070 510647803 /nfs/dbraw/zinc/64/78/03/510647803.db2.gz MTUDLHKDPQAVGT-WMZOPIPTSA-N 2 2 352.438 2.841 10 0 FFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccnn1C1CCCC1 ZINC000178748603 510752424 /nfs/dbraw/zinc/75/24/24/510752424.db2.gz TVPCVEJRQXZBMI-KRWDZBQOSA-N 2 2 356.474 2.606 10 0 FFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccnn1C1CCCC1 ZINC000178748603 510752444 /nfs/dbraw/zinc/75/24/44/510752444.db2.gz TVPCVEJRQXZBMI-KRWDZBQOSA-N 2 2 356.474 2.606 10 0 FFAELP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195298051 510768880 /nfs/dbraw/zinc/76/88/80/510768880.db2.gz FWUCISGIEKECCQ-RLLQIKCJSA-N 2 2 358.530 2.530 10 0 FFAELP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195298051 510768894 /nfs/dbraw/zinc/76/88/94/510768894.db2.gz FWUCISGIEKECCQ-RLLQIKCJSA-N 2 2 358.530 2.530 10 0 FFAELP C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195298051 510768900 /nfs/dbraw/zinc/76/89/00/510768900.db2.gz FWUCISGIEKECCQ-RLLQIKCJSA-N 2 2 358.530 2.530 10 0 FFAELP C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195298051 510768909 /nfs/dbraw/zinc/76/89/09/510768909.db2.gz FWUCISGIEKECCQ-RLLQIKCJSA-N 2 2 358.530 2.530 10 0 FFAELP CC(C)CC[NH+]1CCC(CNc2cc(N3CCC[C@H]3CO)[nH+]cn2)CC1 ZINC000175785907 510790212 /nfs/dbraw/zinc/79/02/12/510790212.db2.gz AEXVVBMHUXXFBA-SFHVURJKSA-N 2 2 361.534 2.608 10 0 FFAELP CC(C)CC[NH+]1CCC(CNc2cc(N3CCC[C@H]3CO)nc[nH+]2)CC1 ZINC000175785907 510790219 /nfs/dbraw/zinc/79/02/19/510790219.db2.gz AEXVVBMHUXXFBA-SFHVURJKSA-N 2 2 361.534 2.608 10 0 FFAELP C[N@@H+]1CCC[C@@H]2CN(C(=O)NCc3ccc(-n4cc[nH+]c4)c(F)c3)CC[C@H]21 ZINC000247272921 510855054 /nfs/dbraw/zinc/85/50/54/510855054.db2.gz SIMZHKYEPPQCSZ-SJLPKXTDSA-N 2 2 371.460 2.637 10 0 FFAELP C[N@H+]1CCC[C@@H]2CN(C(=O)NCc3ccc(-n4cc[nH+]c4)c(F)c3)CC[C@H]21 ZINC000247272921 510855055 /nfs/dbraw/zinc/85/50/55/510855055.db2.gz SIMZHKYEPPQCSZ-SJLPKXTDSA-N 2 2 371.460 2.637 10 0 FFAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)C1 ZINC000126346058 728699646 /nfs/dbraw/zinc/69/96/46/728699646.db2.gz JHABYWOJJMQCAQ-RYRKJORJSA-N 2 2 364.559 2.865 10 0 FFAELP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)C1 ZINC000126346058 728699647 /nfs/dbraw/zinc/69/96/47/728699647.db2.gz JHABYWOJJMQCAQ-RYRKJORJSA-N 2 2 364.559 2.865 10 0 FFAELP C[C@@H](C(=O)Nc1ccc(F)cc1F)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000106165004 250246129 /nfs/dbraw/zinc/24/61/29/250246129.db2.gz IHNXPDUSBZPSGZ-ZDUSSCGKSA-N 2 2 362.424 2.980 10 0 FFAELP Cn1cc[nH+]c1CC1CC[NH+](CC(=O)N[C@H](c2ccccc2)C2CC2)CC1 ZINC000106164335 250246911 /nfs/dbraw/zinc/24/69/11/250246911.db2.gz LAQQHTYOTXGBCT-JOCHJYFZSA-N 2 2 366.509 2.942 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2nc3ccccc3c(=O)n2C)C1 ZINC000106214909 250255198 /nfs/dbraw/zinc/25/51/98/250255198.db2.gz FPNVKZJHXBCNRH-HNNXBMFYSA-N 2 2 351.454 2.530 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2nc3ccccc3c(=O)n2C)C1 ZINC000106214909 250255202 /nfs/dbraw/zinc/25/52/02/250255202.db2.gz FPNVKZJHXBCNRH-HNNXBMFYSA-N 2 2 351.454 2.530 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2nc3ccccc3c(=O)n2C)C1 ZINC000106214905 250255820 /nfs/dbraw/zinc/25/58/20/250255820.db2.gz FPNVKZJHXBCNRH-OAHLLOKOSA-N 2 2 351.454 2.530 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2nc3ccccc3c(=O)n2C)C1 ZINC000106214905 250255824 /nfs/dbraw/zinc/25/58/24/250255824.db2.gz FPNVKZJHXBCNRH-OAHLLOKOSA-N 2 2 351.454 2.530 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cc(=O)n3cccc(C)c3n2)C1 ZINC000106217554 250259517 /nfs/dbraw/zinc/25/95/17/250259517.db2.gz KJTNPFCJMDFDNP-QGZVFWFLSA-N 2 2 351.454 2.599 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cc(=O)n3cccc(C)c3n2)C1 ZINC000106217554 250259521 /nfs/dbraw/zinc/25/95/21/250259521.db2.gz KJTNPFCJMDFDNP-QGZVFWFLSA-N 2 2 351.454 2.599 10 0 FFAELP c1ccc(C[N@H+]2CCCC[C@H]2CNc2cc(N3CCOCC3)[nH+]cn2)cc1 ZINC000302878243 258113806 /nfs/dbraw/zinc/11/38/06/258113806.db2.gz GITQGDYTKXXMND-IBGZPJMESA-N 2 2 367.497 2.780 10 0 FFAELP c1ccc(C[N@@H+]2CCCC[C@H]2CNc2cc(N3CCOCC3)[nH+]cn2)cc1 ZINC000302878243 258113807 /nfs/dbraw/zinc/11/38/07/258113807.db2.gz GITQGDYTKXXMND-IBGZPJMESA-N 2 2 367.497 2.780 10 0 FFAELP CCOC(=O)c1c[nH+]c2ccc(OC)cc2c1N1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000301685048 258063293 /nfs/dbraw/zinc/06/32/93/258063293.db2.gz UGJVNHWVYKJRJO-SCLBCKFNSA-N 2 2 357.454 2.806 10 0 FFAELP Cc1c[nH+]cn1C1CCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC000329091563 258129118 /nfs/dbraw/zinc/12/91/18/258129118.db2.gz WXFORJPDVPRMBW-CRAIPNDOSA-N 2 2 353.470 2.523 10 0 FFAELP C[C@H](c1cccc(NC(=O)N2CCC3(CC[NH2+]C3)CC2)c1)[NH+]1CCOCC1 ZINC000333083043 258248908 /nfs/dbraw/zinc/24/89/08/258248908.db2.gz BBLIARVDSLXHNO-QGZVFWFLSA-N 2 2 372.513 2.687 10 0 FFAELP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000067646028 506959307 /nfs/dbraw/zinc/95/93/07/506959307.db2.gz CGVUMWGVADNEMV-INIZCTEOSA-N 2 2 361.465 2.787 10 0 FFAELP C[C@H](c1c(F)cccc1F)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000109789760 507987180 /nfs/dbraw/zinc/98/71/80/507987180.db2.gz MZDBFIREVGIJPC-OAHLLOKOSA-N 2 2 365.468 2.902 10 0 FFAELP O=C(NC[C@H](O)C[NH+]1CCCCC1)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000112211964 508160507 /nfs/dbraw/zinc/16/05/07/508160507.db2.gz PSKQQMZEOSMTEG-KRWDZBQOSA-N 2 2 370.453 2.842 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)NCCc2ccccc2C)C1 ZINC000106215837 508397893 /nfs/dbraw/zinc/39/78/93/508397893.db2.gz UZKFUCDSKCAFRN-IBGZPJMESA-N 2 2 354.498 2.750 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)NCCc2ccccc2C)C1 ZINC000106215837 508397894 /nfs/dbraw/zinc/39/78/94/508397894.db2.gz UZKFUCDSKCAFRN-IBGZPJMESA-N 2 2 354.498 2.750 10 0 FFAELP Cc1ccc(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1Oc1cc[nH+]cc1 ZINC000116792919 508562561 /nfs/dbraw/zinc/56/25/61/508562561.db2.gz RXNPWDVEJDNJKM-SFHVURJKSA-N 2 2 355.438 2.585 10 0 FFAELP COCC[N@@H+]1CCN(C(=O)c2ccc(C)c(Oc3cc[nH+]cc3)c2)C[C@@H]1C ZINC000117288266 508589948 /nfs/dbraw/zinc/58/99/48/508589948.db2.gz OOGPBZHGNGXOEU-KRWDZBQOSA-N 2 2 369.465 2.975 10 0 FFAELP COCC[N@H+]1CCN(C(=O)c2ccc(C)c(Oc3cc[nH+]cc3)c2)C[C@@H]1C ZINC000117288266 508589949 /nfs/dbraw/zinc/58/99/49/508589949.db2.gz OOGPBZHGNGXOEU-KRWDZBQOSA-N 2 2 369.465 2.975 10 0 FFAELP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(c3cccnn3)C2)C[N@@H+]1Cc1ccccc1 ZINC000119331038 508774487 /nfs/dbraw/zinc/77/44/87/508774487.db2.gz IFHOJZLWESJPNV-MISYRCLQSA-N 2 2 351.498 2.698 10 0 FFAELP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(c3cccnn3)C2)C[N@H+]1Cc1ccccc1 ZINC000119331038 508774488 /nfs/dbraw/zinc/77/44/88/508774488.db2.gz IFHOJZLWESJPNV-MISYRCLQSA-N 2 2 351.498 2.698 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@H](O)COCc2ccccc2OC)C1 ZINC000155226404 508952330 /nfs/dbraw/zinc/95/23/30/508952330.db2.gz DRQQARMBRXTPLC-OALUTQOASA-N 2 2 373.497 2.669 10 0 FFAELP C[NH+]1CCN([C@@H]2CCCC[N@H+](Cc3ncc(Cl)cc3Cl)C2)CC1 ZINC000182891430 509480457 /nfs/dbraw/zinc/48/04/57/509480457.db2.gz QTCKEACBIHWATI-OAHLLOKOSA-N 2 2 357.329 2.990 10 0 FFAELP C[NH+]1CCN([C@@H]2CCCC[N@@H+](Cc3ncc(Cl)cc3Cl)C2)CC1 ZINC000182891430 509480462 /nfs/dbraw/zinc/48/04/62/509480462.db2.gz QTCKEACBIHWATI-OAHLLOKOSA-N 2 2 357.329 2.990 10 0 FFAELP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)C12CCOCC2 ZINC000249067311 509590830 /nfs/dbraw/zinc/59/08/30/509590830.db2.gz ZOMNEWDQMFCXCL-ZIBCJSCZSA-N 2 2 373.541 2.856 10 0 FFAELP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)C12CCOCC2 ZINC000249067311 509590835 /nfs/dbraw/zinc/59/08/35/509590835.db2.gz ZOMNEWDQMFCXCL-ZIBCJSCZSA-N 2 2 373.541 2.856 10 0 FFAELP CCO[C@H]1C[C@@H]([NH2+]c2ccc(N3CC[NH+](C)CC3)cc2)C12CCOCC2 ZINC000186477012 509728275 /nfs/dbraw/zinc/72/82/75/509728275.db2.gz KJBAZAFOIHXWMD-UXHICEINSA-N 2 2 359.514 2.825 10 0 FFAELP Cc1nn(C)c(OCC(F)(F)F)c1C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000180132359 509769147 /nfs/dbraw/zinc/76/91/47/509769147.db2.gz BAODAONKTJTNON-AWEZNQCLSA-N 2 2 371.407 2.839 10 0 FFAELP Cc1nn(C)c(OCC(F)(F)F)c1C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000180132359 509769153 /nfs/dbraw/zinc/76/91/53/509769153.db2.gz BAODAONKTJTNON-AWEZNQCLSA-N 2 2 371.407 2.839 10 0 FFAELP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)cc1C ZINC000245530802 509984953 /nfs/dbraw/zinc/98/49/53/509984953.db2.gz SMOMKCSHWAZWBN-TZIWHRDSSA-N 2 2 372.557 2.732 10 0 FFAELP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)cc1C ZINC000245530802 509984963 /nfs/dbraw/zinc/98/49/63/509984963.db2.gz SMOMKCSHWAZWBN-TZIWHRDSSA-N 2 2 372.557 2.732 10 0 FFAELP CCOCc1ccccc1CNC(=O)C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245598737 510030617 /nfs/dbraw/zinc/03/06/17/510030617.db2.gz LZFIQKADPIKCBP-PXNSSMCTSA-N 2 2 370.497 2.619 10 0 FFAELP CCOCc1ccccc1CNC(=O)C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245598737 510030625 /nfs/dbraw/zinc/03/06/25/510030625.db2.gz LZFIQKADPIKCBP-PXNSSMCTSA-N 2 2 370.497 2.619 10 0 FFAELP C[C@H](CCNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)[N@H+](C)Cc1ccccc1 ZINC000177587077 510147730 /nfs/dbraw/zinc/14/77/30/510147730.db2.gz RIMKCWICQLBUPB-UYAOXDASSA-N 2 2 369.513 2.968 10 0 FFAELP C[C@H](CCNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)[N@@H+](C)Cc1ccccc1 ZINC000177587077 510147735 /nfs/dbraw/zinc/14/77/35/510147735.db2.gz RIMKCWICQLBUPB-UYAOXDASSA-N 2 2 369.513 2.968 10 0 FFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000245929222 510212812 /nfs/dbraw/zinc/21/28/12/510212812.db2.gz IUCQEKPOCDZQTA-RBUKOAKNSA-N 2 2 356.445 2.815 10 0 FFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000245929222 510212821 /nfs/dbraw/zinc/21/28/21/510212821.db2.gz IUCQEKPOCDZQTA-RBUKOAKNSA-N 2 2 356.445 2.815 10 0 FFAELP CC[C@H]1CN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC[N@@H+]1C[C@@H](C)O ZINC000174645720 510227572 /nfs/dbraw/zinc/22/75/72/510227572.db2.gz AQXLPFAKEZJIGE-AEFFLSMTSA-N 2 2 369.465 2.791 10 0 FFAELP CC[C@H]1CN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC[N@H+]1C[C@@H](C)O ZINC000174645720 510227578 /nfs/dbraw/zinc/22/75/78/510227578.db2.gz AQXLPFAKEZJIGE-AEFFLSMTSA-N 2 2 369.465 2.791 10 0 FFAELP COc1ccc(OC)c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000245955726 510227928 /nfs/dbraw/zinc/22/79/28/510227928.db2.gz QMIUHNUHFOJRKE-ZBFHGGJFSA-N 2 2 372.469 2.700 10 0 FFAELP CCOC(=O)c1c[nH+]c2ccccc2c1N1CC[N@H+](C[C@@H](C)O)[C@@H](CC)C1 ZINC000174733229 510277327 /nfs/dbraw/zinc/27/73/27/510277327.db2.gz YPTPJKHMJOSMKY-CVEARBPZSA-N 2 2 371.481 2.693 10 0 FFAELP CCOC(=O)c1c[nH+]c2ccccc2c1N1CC[N@@H+](C[C@@H](C)O)[C@@H](CC)C1 ZINC000174733229 510277333 /nfs/dbraw/zinc/27/73/33/510277333.db2.gz YPTPJKHMJOSMKY-CVEARBPZSA-N 2 2 371.481 2.693 10 0 FFAELP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000246519340 510533754 /nfs/dbraw/zinc/53/37/54/510533754.db2.gz UNIHAIYWELZKHS-RVKKMQEKSA-N 2 2 363.502 2.739 10 0 FFAELP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@@H]2C[N@H+](C(C)C)C[C@H]2C)c1 ZINC000246519340 510533760 /nfs/dbraw/zinc/53/37/60/510533760.db2.gz UNIHAIYWELZKHS-RVKKMQEKSA-N 2 2 363.502 2.739 10 0 FFAELP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000175694497 510738305 /nfs/dbraw/zinc/73/83/05/510738305.db2.gz NJYYTJHQZDDSHT-SFHVURJKSA-N 2 2 368.485 2.561 10 0 FFAELP COc1cccc(OCC[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000195269659 510748988 /nfs/dbraw/zinc/74/89/88/510748988.db2.gz AJDSGWARHSPVML-IBGZPJMESA-N 2 2 355.482 2.923 10 0 FFAELP COc1cccc(OCC[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000195269659 510748996 /nfs/dbraw/zinc/74/89/96/510748996.db2.gz AJDSGWARHSPVML-IBGZPJMESA-N 2 2 355.482 2.923 10 0 FFAELP COc1cccc(OCC[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)c1 ZINC000195269659 510749003 /nfs/dbraw/zinc/74/90/03/510749003.db2.gz AJDSGWARHSPVML-IBGZPJMESA-N 2 2 355.482 2.923 10 0 FFAELP COc1cccc(OCC[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)c1 ZINC000195269659 510749011 /nfs/dbraw/zinc/74/90/11/510749011.db2.gz AJDSGWARHSPVML-IBGZPJMESA-N 2 2 355.482 2.923 10 0 FFAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC(=O)NCCC2=CCCCC2)C1 ZINC000195282114 510758003 /nfs/dbraw/zinc/75/80/03/510758003.db2.gz NTABENOWNNQQJW-OAQYLSRUSA-N 2 2 370.541 2.842 10 0 FFAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC(=O)NCCC2=CCCCC2)C1 ZINC000195282114 510758011 /nfs/dbraw/zinc/75/80/11/510758011.db2.gz NTABENOWNNQQJW-OAQYLSRUSA-N 2 2 370.541 2.842 10 0 FFAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CC(=O)NCCC2=CCCCC2)C1 ZINC000195282114 510758014 /nfs/dbraw/zinc/75/80/14/510758014.db2.gz NTABENOWNNQQJW-OAQYLSRUSA-N 2 2 370.541 2.842 10 0 FFAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CC(=O)NCCC2=CCCCC2)C1 ZINC000195282114 510758020 /nfs/dbraw/zinc/75/80/20/510758020.db2.gz NTABENOWNNQQJW-OAQYLSRUSA-N 2 2 370.541 2.842 10 0 FFAELP CCN(CC)c1ccc(CNC(=O)N2CCC[C@H]2Cn2cc[nH+]c2C)c[nH+]1 ZINC000175738131 510762286 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2 2 358.511 2.571 10 0 FFAELP Cc1ccc2[nH+]c(CSCC(=O)N3C[C@@H]4CCC[N@@H+]4C[C@H]3C)cn2c1 ZINC000246995910 510788414 /nfs/dbraw/zinc/78/84/14/510788414.db2.gz FJDQCEYLOXNQHP-WBVHZDCISA-N 2 2 358.511 2.571 10 0 FFAELP CC(C)CC[NH+]1CCC(CNc2cc(N3CCC[C@@H]3CO)[nH+]cn2)CC1 ZINC000175785886 510790959 /nfs/dbraw/zinc/79/09/59/510790959.db2.gz AEXVVBMHUXXFBA-GOSISDBHSA-N 2 2 361.534 2.608 10 0 FFAELP CC(C)CC[NH+]1CCC(CNc2cc(N3CCC[C@@H]3CO)nc[nH+]2)CC1 ZINC000175785886 510790964 /nfs/dbraw/zinc/79/09/64/510790964.db2.gz AEXVVBMHUXXFBA-GOSISDBHSA-N 2 2 361.534 2.608 10 0 FFAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000247095145 510833461 /nfs/dbraw/zinc/83/34/61/510833461.db2.gz JQUGAZWKYLAGQX-CRAIPNDOSA-N 2 2 357.502 2.763 10 0 FFAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000247095145 510833465 /nfs/dbraw/zinc/83/34/65/510833465.db2.gz JQUGAZWKYLAGQX-CRAIPNDOSA-N 2 2 357.502 2.763 10 0 FFAELP CCCn1nc(C)c(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cncn2C)c1C ZINC000583616659 519342162 /nfs/dbraw/zinc/34/21/62/519342162.db2.gz XHEYUEGWWUGSSC-FXAWDEMLSA-N 2 2 358.534 2.816 10 0 FFAELP CCCn1nc(C)c(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cncn2C)c1C ZINC000583616659 519342171 /nfs/dbraw/zinc/34/21/71/519342171.db2.gz XHEYUEGWWUGSSC-FXAWDEMLSA-N 2 2 358.534 2.816 10 0 FFAELP COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000103473559 250154720 /nfs/dbraw/zinc/15/47/20/250154720.db2.gz PINBYTSWMRJFJT-MRXNPFEDSA-N 2 2 354.454 2.853 10 0 FFAELP COc1ccc(NC(=O)CC[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000103473559 250154723 /nfs/dbraw/zinc/15/47/23/250154723.db2.gz PINBYTSWMRJFJT-MRXNPFEDSA-N 2 2 354.454 2.853 10 0 FFAELP Cn1cc[nH+]c1CC1CC[NH+](CC(=O)NCC2(c3ccccc3)CC2)CC1 ZINC000106164339 250247213 /nfs/dbraw/zinc/24/72/13/250247213.db2.gz UXNAOWCXTPXUER-UHFFFAOYSA-N 2 2 366.509 2.523 10 0 FFAELP Cc1nc(C)n(C[C@H]2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)n1 ZINC000106179605 250250024 /nfs/dbraw/zinc/25/00/24/250250024.db2.gz MFIXVJNXKKSDEN-IBGZPJMESA-N 2 2 350.470 2.993 10 0 FFAELP Cc1nc(C)n(C[C@H]2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)n1 ZINC000106179605 250250028 /nfs/dbraw/zinc/25/00/28/250250028.db2.gz MFIXVJNXKKSDEN-IBGZPJMESA-N 2 2 350.470 2.993 10 0 FFAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](CCSc3ccccc3)CC2)C1 ZINC000117880139 250366977 /nfs/dbraw/zinc/36/69/77/250366977.db2.gz BDDAXCJSBTUJQG-LJQANCHMSA-N 2 2 363.571 2.506 10 0 FFAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](CCSc3ccccc3)CC2)C1 ZINC000117880139 250366980 /nfs/dbraw/zinc/36/69/80/250366980.db2.gz BDDAXCJSBTUJQG-LJQANCHMSA-N 2 2 363.571 2.506 10 0 FFAELP Cc1csc(N2CCC([NH2+][C@H]3CCO[C@@H](c4c[nH+]cn4C)C3)CC2)n1 ZINC000329832931 258148434 /nfs/dbraw/zinc/14/84/34/258148434.db2.gz UDYIDPVJLZHJBO-DOTOQJQBSA-N 2 2 361.515 2.664 10 0 FFAELP C[C@@H]1Cc2[nH+]cn(C[C@@H](O)Cn3c[nH+]c4c3C[C@H](C)[C@@H](C)C4)c2C[C@H]1C ZINC000333263392 258258872 /nfs/dbraw/zinc/25/88/72/258258872.db2.gz BGPYCPQQJUZDNM-KFESYUHLSA-N 2 2 356.514 2.882 10 0 FFAELP COc1ccccc1N1CC[NH+](C2CC[NH+]([C@H]3CCSC3)CC2)CC1 ZINC000244969167 132376539 /nfs/dbraw/zinc/37/65/39/132376539.db2.gz HCGIFMGASLGEHX-SFHVURJKSA-N 2 2 361.555 2.787 10 0 FFAELP Nc1c(Nc2cc[nH+]cc2)nc[nH+]c1N1CCN(c2ccccc2F)CC1 ZINC000040687667 136119884 /nfs/dbraw/zinc/11/98/84/136119884.db2.gz RBVQCCLEEWFMNI-UHFFFAOYSA-N 2 2 365.416 2.663 10 0 FFAELP COc1c(C)c[nH+]c(CN2CC[NH+](Cc3cnn(C(C)(C)C)c3)CC2)c1C ZINC000110031159 508002166 /nfs/dbraw/zinc/00/21/66/508002166.db2.gz JVBHXLBPKMEPLN-UHFFFAOYSA-N 2 2 371.529 2.976 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)NCCOc2cccc(C)c2)C1 ZINC000106216034 508398245 /nfs/dbraw/zinc/39/82/45/508398245.db2.gz JATNMFIBDCBQCP-GOSISDBHSA-N 2 2 370.497 2.586 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)NCCOc2cccc(C)c2)C1 ZINC000106216034 508398246 /nfs/dbraw/zinc/39/82/46/508398246.db2.gz JATNMFIBDCBQCP-GOSISDBHSA-N 2 2 370.497 2.586 10 0 FFAELP Cc1c([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)cnn1-c1ccc(F)cc1 ZINC000151276797 508991235 /nfs/dbraw/zinc/99/12/35/508991235.db2.gz HERNLUCPOAHWRF-BEFAXECRSA-N 2 2 360.477 2.817 10 0 FFAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](Cc3coc4ccccc34)CC2)C1 ZINC000121034391 509114922 /nfs/dbraw/zinc/11/49/22/509114922.db2.gz RMNAJIZMZIPXJM-IBGZPJMESA-N 2 2 357.498 2.660 10 0 FFAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](Cc3coc4ccccc34)CC2)C1 ZINC000121034391 509114925 /nfs/dbraw/zinc/11/49/25/509114925.db2.gz RMNAJIZMZIPXJM-IBGZPJMESA-N 2 2 357.498 2.660 10 0 FFAELP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c1C ZINC000179148689 509287859 /nfs/dbraw/zinc/28/78/59/509287859.db2.gz WNKCCUVWCYCQAA-QGZVFWFLSA-N 2 2 362.518 2.969 10 0 FFAELP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)c1C ZINC000179148689 509287863 /nfs/dbraw/zinc/28/78/63/509287863.db2.gz WNKCCUVWCYCQAA-QGZVFWFLSA-N 2 2 362.518 2.969 10 0 FFAELP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCOCC1 ZINC000248391496 509288335 /nfs/dbraw/zinc/28/83/35/509288335.db2.gz CIFBHCIYLICWQP-YPAWHYETSA-N 3 2 371.569 2.988 10 0 FFAELP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCOCC1 ZINC000248391496 509288341 /nfs/dbraw/zinc/28/83/41/509288341.db2.gz CIFBHCIYLICWQP-YPAWHYETSA-N 3 2 371.569 2.988 10 0 FFAELP Cc1cnn(C[C@@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3C)CCO2)c1 ZINC000192008064 509292344 /nfs/dbraw/zinc/29/23/44/509292344.db2.gz UHXNEDNOVBPZRY-FQEVSTJZSA-N 2 2 351.454 2.587 10 0 FFAELP Cc1cnn(C[C@@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3C)CCO2)c1 ZINC000192008064 509292352 /nfs/dbraw/zinc/29/23/52/509292352.db2.gz UHXNEDNOVBPZRY-FQEVSTJZSA-N 2 2 351.454 2.587 10 0 FFAELP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248647136 509416183 /nfs/dbraw/zinc/41/61/83/509416183.db2.gz IBBCRCNZVDMHED-NSHGMRRFSA-N 2 2 358.530 2.625 10 0 FFAELP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248647136 509416190 /nfs/dbraw/zinc/41/61/90/509416190.db2.gz IBBCRCNZVDMHED-NSHGMRRFSA-N 2 2 358.530 2.625 10 0 FFAELP C[C@@H]1CCC[C@H](C)N1C(=O)C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248647136 509416198 /nfs/dbraw/zinc/41/61/98/509416198.db2.gz IBBCRCNZVDMHED-NSHGMRRFSA-N 2 2 358.530 2.625 10 0 FFAELP C[C@@H]1CCC[C@H](C)N1C(=O)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248647136 509416205 /nfs/dbraw/zinc/41/62/05/509416205.db2.gz IBBCRCNZVDMHED-NSHGMRRFSA-N 2 2 358.530 2.625 10 0 FFAELP CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)C1 ZINC000248896578 509533398 /nfs/dbraw/zinc/53/33/98/509533398.db2.gz TZNPHCFKAJUIMX-NVXWUHKLSA-N 2 2 350.532 2.621 10 0 FFAELP CC[N@H+]1CCC[C@@H](NC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)C1 ZINC000248896578 509533404 /nfs/dbraw/zinc/53/34/04/509533404.db2.gz TZNPHCFKAJUIMX-NVXWUHKLSA-N 2 2 350.532 2.621 10 0 FFAELP CC1(C)CC(NC(=O)N2CCCN(c3cccc[nH+]3)CC2)CC(C)(C)[NH2+]1 ZINC000186326870 509649165 /nfs/dbraw/zinc/64/91/65/509649165.db2.gz YGONYOCUNQAUHI-UHFFFAOYSA-N 2 2 359.518 2.613 10 0 FFAELP CC(C)(C)[NH+]1CCC(NC(=O)N2CCCN(c3cccc[nH+]3)CC2)CC1 ZINC000186365684 509672795 /nfs/dbraw/zinc/67/27/95/509672795.db2.gz PQRAPIDDALDHDO-UHFFFAOYSA-N 2 2 359.518 2.566 10 0 FFAELP Cn1cc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)c(C(C)(C)C)n1 ZINC000180095739 509749036 /nfs/dbraw/zinc/74/90/36/509749036.db2.gz CWVLDTKQKKSBLH-UHFFFAOYSA-N 2 2 358.534 2.511 10 0 FFAELP Cn1cc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)c(C(C)(C)C)n1 ZINC000180095739 509749046 /nfs/dbraw/zinc/74/90/46/509749046.db2.gz CWVLDTKQKKSBLH-UHFFFAOYSA-N 2 2 358.534 2.511 10 0 FFAELP Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c1C ZINC000245514340 509978030 /nfs/dbraw/zinc/97/80/30/509978030.db2.gz BRCPRMWBQRJXSG-WOJBJXKFSA-N 2 2 372.557 2.732 10 0 FFAELP Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c1C ZINC000245514340 509978037 /nfs/dbraw/zinc/97/80/37/509978037.db2.gz BRCPRMWBQRJXSG-WOJBJXKFSA-N 2 2 372.557 2.732 10 0 FFAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2ccc(F)c(OC)c2)nc[nH+]1 ZINC000180567847 509988251 /nfs/dbraw/zinc/98/82/51/509988251.db2.gz ACKVDMXGDDJEQK-ZFWWWQNUSA-N 2 2 359.449 2.986 10 0 FFAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2ccc3c(c2)OCCO3)nc[nH+]1 ZINC000180572226 509991290 /nfs/dbraw/zinc/99/12/90/509991290.db2.gz ZHASTIBBQXHBMG-GDBMZVCRSA-N 2 2 369.469 2.609 10 0 FFAELP C[N@H+](CCCNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)Cc1ccccc1 ZINC000177367199 510015366 /nfs/dbraw/zinc/01/53/66/510015366.db2.gz MTABEEYZVNWDOS-LJQANCHMSA-N 2 2 355.486 2.579 10 0 FFAELP C[N@@H+](CCCNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)Cc1ccccc1 ZINC000177367199 510015370 /nfs/dbraw/zinc/01/53/70/510015370.db2.gz MTABEEYZVNWDOS-LJQANCHMSA-N 2 2 355.486 2.579 10 0 FFAELP C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCn3cc[nH+]c32)[C@H]1c1ccc(Cl)cc1 ZINC000246006324 510247719 /nfs/dbraw/zinc/24/77/19/510247719.db2.gz YWRKTVILFQVKDO-YESZJQIVSA-N 2 2 358.873 2.976 10 0 FFAELP C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCn3cc[nH+]c32)[C@H]1c1ccc(Cl)cc1 ZINC000246006324 510247722 /nfs/dbraw/zinc/24/77/22/510247722.db2.gz YWRKTVILFQVKDO-YESZJQIVSA-N 2 2 358.873 2.976 10 0 FFAELP O=C(C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)N1CCC[C@H](C(F)(F)F)C1 ZINC000171641661 510268981 /nfs/dbraw/zinc/26/89/81/510268981.db2.gz PITYBDYIVFYCOH-GJZGRUSLSA-N 2 2 370.419 2.616 10 0 FFAELP O=C(C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)N1CCC[C@H](C(F)(F)F)C1 ZINC000171641661 510268989 /nfs/dbraw/zinc/26/89/89/510268989.db2.gz PITYBDYIVFYCOH-GJZGRUSLSA-N 2 2 370.419 2.616 10 0 FFAELP COC(=O)c1cccc(OCC[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000171640570 510269267 /nfs/dbraw/zinc/26/92/67/510269267.db2.gz PLEQRKTYFWOFBW-INIZCTEOSA-N 2 2 355.438 2.681 10 0 FFAELP COC(=O)c1cccc(OCC[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000171640570 510269276 /nfs/dbraw/zinc/26/92/76/510269276.db2.gz PLEQRKTYFWOFBW-INIZCTEOSA-N 2 2 355.438 2.681 10 0 FFAELP O=C1c2ccccc2C(=O)N1CCC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171645663 510275269 /nfs/dbraw/zinc/27/52/69/510275269.db2.gz VJJVQUHTTJMQGG-INIZCTEOSA-N 2 2 364.449 2.502 10 0 FFAELP O=C1c2ccccc2C(=O)N1CCC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171645663 510275278 /nfs/dbraw/zinc/27/52/78/510275278.db2.gz VJJVQUHTTJMQGG-INIZCTEOSA-N 2 2 364.449 2.502 10 0 FFAELP C[C@@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246138751 510315711 /nfs/dbraw/zinc/31/57/11/510315711.db2.gz NJUBDFGXEXMKCO-HOTGVXAUSA-N 2 2 370.522 2.850 10 0 FFAELP C[C@@H](C(=O)N1CCc2sccc2C1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246138751 510315716 /nfs/dbraw/zinc/31/57/16/510315716.db2.gz NJUBDFGXEXMKCO-HOTGVXAUSA-N 2 2 370.522 2.850 10 0 FFAELP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000181283676 510337765 /nfs/dbraw/zinc/33/77/65/510337765.db2.gz UNIHAIYWELZKHS-VKJFTORMSA-N 2 2 363.502 2.739 10 0 FFAELP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@H]2C[N@H+](C(C)C)C[C@H]2C)c1 ZINC000181283676 510337768 /nfs/dbraw/zinc/33/77/68/510337768.db2.gz UNIHAIYWELZKHS-VKJFTORMSA-N 2 2 363.502 2.739 10 0 FFAELP C[C@@H]1Cc2ccccc2N1C(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246191624 510351070 /nfs/dbraw/zinc/35/10/70/510351070.db2.gz WKLCITQMFUHIEL-SJORKVTESA-N 2 2 350.466 2.793 10 0 FFAELP C[C@@H]1Cc2ccccc2N1C(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246191624 510351078 /nfs/dbraw/zinc/35/10/78/510351078.db2.gz WKLCITQMFUHIEL-SJORKVTESA-N 2 2 350.466 2.793 10 0 FFAELP CC(C)[N@H+](C)Cc1ccccc1CNc1cc(N2CCC[C@H]2CO)nc[nH+]1 ZINC000246197628 510355079 /nfs/dbraw/zinc/35/50/79/510355079.db2.gz UBHUSBGMHKTHNJ-IBGZPJMESA-N 2 2 369.513 2.890 10 0 FFAELP CC(C)[N@@H+](C)Cc1ccccc1CNc1cc(N2CCC[C@H]2CO)nc[nH+]1 ZINC000246197628 510355082 /nfs/dbraw/zinc/35/50/82/510355082.db2.gz UBHUSBGMHKTHNJ-IBGZPJMESA-N 2 2 369.513 2.890 10 0 FFAELP CC(C)[N@H+](C)Cc1ccccc1CNc1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000246197628 510355089 /nfs/dbraw/zinc/35/50/89/510355089.db2.gz UBHUSBGMHKTHNJ-IBGZPJMESA-N 2 2 369.513 2.890 10 0 FFAELP CC(C)[N@@H+](C)Cc1ccccc1CNc1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000246197628 510355093 /nfs/dbraw/zinc/35/50/93/510355093.db2.gz UBHUSBGMHKTHNJ-IBGZPJMESA-N 2 2 369.513 2.890 10 0 FFAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)nc[nH+]1 ZINC000246423318 510481611 /nfs/dbraw/zinc/48/16/11/510481611.db2.gz NJJQHLVIPXLJNL-UZPXWBGZSA-N 2 2 373.526 2.575 10 0 FFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000246648337 510601283 /nfs/dbraw/zinc/60/12/83/510601283.db2.gz COUGSWXRYACNCL-DLBZAZTESA-N 2 2 354.454 2.577 10 0 FFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000246648337 510601292 /nfs/dbraw/zinc/60/12/92/510601292.db2.gz COUGSWXRYACNCL-DLBZAZTESA-N 2 2 354.454 2.577 10 0 FFAELP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N[C@@H](c2[nH+]ccn2C)c2cccc(F)c2)C1 ZINC000246818642 510691116 /nfs/dbraw/zinc/69/11/16/510691116.db2.gz DKRMFSACNIQPSR-ZTFGCOKTSA-N 2 2 373.476 2.677 10 0 FFAELP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)N[C@@H](c2[nH+]ccn2C)c2cccc(F)c2)C1 ZINC000246818642 510691119 /nfs/dbraw/zinc/69/11/19/510691119.db2.gz DKRMFSACNIQPSR-ZTFGCOKTSA-N 2 2 373.476 2.677 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NC[C@H](C)Cn2cc[nH+]c2C)C1 ZINC000172457653 510736167 /nfs/dbraw/zinc/73/61/67/510736167.db2.gz ONMQCRIJINPZRR-DOTOQJQBSA-N 2 2 358.490 2.633 10 0 FFAELP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195273191 510752441 /nfs/dbraw/zinc/75/24/41/510752441.db2.gz IBBCRCNZVDMHED-WSTZPKSXSA-N 2 2 358.530 2.625 10 0 FFAELP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195273191 510752443 /nfs/dbraw/zinc/75/24/43/510752443.db2.gz IBBCRCNZVDMHED-WSTZPKSXSA-N 2 2 358.530 2.625 10 0 FFAELP C[C@@H]1CCC[C@H](C)N1C(=O)C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195273191 510752446 /nfs/dbraw/zinc/75/24/46/510752446.db2.gz IBBCRCNZVDMHED-WSTZPKSXSA-N 2 2 358.530 2.625 10 0 FFAELP C[C@@H]1CCC[C@H](C)N1C(=O)C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195273191 510752454 /nfs/dbraw/zinc/75/24/54/510752454.db2.gz IBBCRCNZVDMHED-WSTZPKSXSA-N 2 2 358.530 2.625 10 0 FFAELP CC1CCN(c2ccc(CNC(=O)N3C[C@H]4CCC[N@@H+]4C[C@H]3C)c[nH+]2)CC1 ZINC000247466937 510861628 /nfs/dbraw/zinc/86/16/28/510861628.db2.gz RHLZIPDDHHNWKY-IEBWSBKVSA-N 2 2 371.529 2.696 10 0 FFAELP CC1CCN(c2ccc(CNC(=O)N3C[C@H]4CCC[N@H+]4C[C@H]3C)c[nH+]2)CC1 ZINC000247466937 510861629 /nfs/dbraw/zinc/86/16/29/510861629.db2.gz RHLZIPDDHHNWKY-IEBWSBKVSA-N 2 2 371.529 2.696 10 0 FFAELP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)C[C@@H](C)O1 ZINC000247495268 510863178 /nfs/dbraw/zinc/86/31/78/510863178.db2.gz MKMLFINCSIIIJO-LMMKCTJWSA-N 2 2 372.513 2.608 10 0 FFAELP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2CC[N@H+]3CCC[C@H]3C2)C[C@@H](C)O1 ZINC000247495268 510863179 /nfs/dbraw/zinc/86/31/79/510863179.db2.gz MKMLFINCSIIIJO-LMMKCTJWSA-N 2 2 372.513 2.608 10 0 FFAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+]([C@H](C)c3cc(F)ccc3F)CC2)C1 ZINC000247813243 510871062 /nfs/dbraw/zinc/87/10/62/510871062.db2.gz VNPUJCBQHJXMSY-SJLPKXTDSA-N 2 2 367.484 2.753 10 0 FFAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+]([C@H](C)c3cc(F)ccc3F)CC2)C1 ZINC000247813243 510871063 /nfs/dbraw/zinc/87/10/63/510871063.db2.gz VNPUJCBQHJXMSY-SJLPKXTDSA-N 2 2 367.484 2.753 10 0 FFAELP Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333833023 511368352 /nfs/dbraw/zinc/36/83/52/511368352.db2.gz MWKFYUDOSNRGGK-DLBZAZTESA-N 2 2 355.486 2.661 10 0 FFAELP CN(C)c1[nH+]cccc1O[C@H]1CC[N@@H+]([C@@H]2CCc3ccccc3NC2=O)C1 ZINC000334059412 511443880 /nfs/dbraw/zinc/44/38/80/511443880.db2.gz XWCCJHGRCGVRTD-FUHWJXTLSA-N 2 2 366.465 2.554 10 0 FFAELP CN(C)c1[nH+]cccc1O[C@H]1CC[N@H+]([C@@H]2CCc3ccccc3NC2=O)C1 ZINC000334059412 511443884 /nfs/dbraw/zinc/44/38/84/511443884.db2.gz XWCCJHGRCGVRTD-FUHWJXTLSA-N 2 2 366.465 2.554 10 0 FFAELP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(Br)cc1O ZINC000185115597 729341877 /nfs/dbraw/zinc/34/18/77/729341877.db2.gz DYUGZSAVVDSINR-TZMCWYRMSA-N 2 2 357.292 2.652 10 0 FFAELP CC[NH+](CC)[C@H](C(=O)NCc1cccnc1-n1cc[nH+]c1)c1ccccc1 ZINC000104839446 250187781 /nfs/dbraw/zinc/18/77/81/250187781.db2.gz JWTOTLVSGGAWAZ-IBGZPJMESA-N 2 2 363.465 2.967 10 0 FFAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](CCc3ccccc3Cl)CC2)C1 ZINC000106120722 250240728 /nfs/dbraw/zinc/24/07/28/250240728.db2.gz WSENUSSTYXOPCJ-IBGZPJMESA-N 2 2 365.949 2.609 10 0 FFAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](CCc3ccccc3Cl)CC2)C1 ZINC000106120722 250240732 /nfs/dbraw/zinc/24/07/32/250240732.db2.gz WSENUSSTYXOPCJ-IBGZPJMESA-N 2 2 365.949 2.609 10 0 FFAELP CCOc1ccccc1NC(=O)C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000106165961 250246352 /nfs/dbraw/zinc/24/63/52/250246352.db2.gz WXMXIADBTKKXEG-UHFFFAOYSA-N 2 2 356.470 2.712 10 0 FFAELP Cn1cc[nH+]c1CC1CC[NH+](CC(=O)NCCc2ccc(Cl)cc2)CC1 ZINC000106165677 250246758 /nfs/dbraw/zinc/24/67/58/250246758.db2.gz MPEIAMIPOGYRDA-UHFFFAOYSA-N 2 2 374.916 2.687 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(COC)cc2)C1 ZINC000106212619 250255546 /nfs/dbraw/zinc/25/55/46/250255546.db2.gz XPYODVCMABCTSW-LJQANCHMSA-N 2 2 370.497 2.545 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(COC)cc2)C1 ZINC000106212619 250255549 /nfs/dbraw/zinc/25/55/49/250255549.db2.gz XPYODVCMABCTSW-LJQANCHMSA-N 2 2 370.497 2.545 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cc(=O)n3cccc(C)c3n2)C1 ZINC000106217557 250259504 /nfs/dbraw/zinc/25/95/04/250259504.db2.gz KJTNPFCJMDFDNP-KRWDZBQOSA-N 2 2 351.454 2.599 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cc(=O)n3cccc(C)c3n2)C1 ZINC000106217557 250259506 /nfs/dbraw/zinc/25/95/06/250259506.db2.gz KJTNPFCJMDFDNP-KRWDZBQOSA-N 2 2 351.454 2.599 10 0 FFAELP CC(C[NH+]1CCC(c2cc[nH]n2)CC1)C[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000329572227 258142002 /nfs/dbraw/zinc/14/20/02/258142002.db2.gz JBQDGOFRCXUPIA-UHFFFAOYSA-N 2 2 356.518 2.828 10 0 FFAELP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[C@@H](C)[C@H](n3cc[nH+]c3)C1)CCC2 ZINC000332703709 258240719 /nfs/dbraw/zinc/24/07/19/258240719.db2.gz FHACNFAEOOXJCL-HYVNUMGLSA-N 2 2 356.474 2.558 10 0 FFAELP C[C@@H]1CCN(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)[C@@H](C[NH3+])C1 ZINC000333096485 258249607 /nfs/dbraw/zinc/24/96/07/258249607.db2.gz DCHRQEYHEJWRRB-IJEWVQPXSA-N 2 2 365.547 2.966 10 0 FFAELP C[C@@H]1CCN(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)[C@@H](C[NH3+])C1 ZINC000333096485 258249608 /nfs/dbraw/zinc/24/96/08/258249608.db2.gz DCHRQEYHEJWRRB-IJEWVQPXSA-N 2 2 365.547 2.966 10 0 FFAELP CC[NH+]1CCN(c2nc[nH+]c(NC34CC5CC(CC(C5)C3)C4)c2N)CC1 ZINC000040726579 136120066 /nfs/dbraw/zinc/12/00/66/136120066.db2.gz WUKLFTRKXMQSHD-UHFFFAOYSA-N 2 2 356.518 2.581 10 0 FFAELP C[N@H+]1C[C@H]2[C@@H](C1)[C@@H](c1ccc(-n3cc[nH+]c3)cc1)[NH2+][C@]2(CO)c1ccccc1 ZINC000065405455 506295111 /nfs/dbraw/zinc/29/51/11/506295111.db2.gz XUNUNUIETSYHBB-KAOXLYBCSA-N 3 2 374.488 2.582 10 0 FFAELP C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H](c1ccc(-n3cc[nH+]c3)cc1)[NH2+][C@]2(CO)c1ccccc1 ZINC000065405455 506295118 /nfs/dbraw/zinc/29/51/18/506295118.db2.gz XUNUNUIETSYHBB-KAOXLYBCSA-N 3 2 374.488 2.582 10 0 FFAELP C[C@H]1C[N@@H+](C2CC[NH+](CCC(=O)Nc3ccc(Cl)cc3)CC2)CCO1 ZINC000109133581 507941848 /nfs/dbraw/zinc/94/18/48/507941848.db2.gz UGGGKDZMCFCQSB-HNNXBMFYSA-N 2 2 365.905 2.854 10 0 FFAELP C[C@H]1C[N@H+](C2CC[NH+](CCC(=O)Nc3ccc(Cl)cc3)CC2)CCO1 ZINC000109133581 507941851 /nfs/dbraw/zinc/94/18/51/507941851.db2.gz UGGGKDZMCFCQSB-HNNXBMFYSA-N 2 2 365.905 2.854 10 0 FFAELP O=C(NCC1([NH+]2CCSCC2)CCCCC1)[C@H]1CCCn2cc[nH+]c21 ZINC000081721680 508206608 /nfs/dbraw/zinc/20/66/08/508206608.db2.gz LREMNXJFBPKMCE-INIZCTEOSA-N 2 2 362.543 2.628 10 0 FFAELP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)NC[C@H](C)[NH+]1CCC(C)CC1)C2 ZINC000112746561 508219821 /nfs/dbraw/zinc/21/98/21/508219821.db2.gz WEPKOZVVGIOLOC-INIZCTEOSA-N 2 2 361.534 2.732 10 0 FFAELP CC(=O)N(c1nc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cs1)C1CC1 ZINC000114717204 508340870 /nfs/dbraw/zinc/34/08/70/508340870.db2.gz NVMLIHQOCXRJPI-HNNXBMFYSA-N 2 2 371.510 2.987 10 0 FFAELP CC(=O)N(c1nc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cs1)C1CC1 ZINC000114717204 508340871 /nfs/dbraw/zinc/34/08/71/508340871.db2.gz NVMLIHQOCXRJPI-HNNXBMFYSA-N 2 2 371.510 2.987 10 0 FFAELP CC(C)[N@H+]1C[C@H](NC(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)[C@@H](C)C1 ZINC000122221320 508501396 /nfs/dbraw/zinc/50/13/96/508501396.db2.gz XCZAGGMVLAFGAC-BXWFABGCSA-N 2 2 355.486 2.961 10 0 FFAELP CC(C)[N@@H+]1C[C@H](NC(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)[C@@H](C)C1 ZINC000122221320 508501399 /nfs/dbraw/zinc/50/13/99/508501399.db2.gz XCZAGGMVLAFGAC-BXWFABGCSA-N 2 2 355.486 2.961 10 0 FFAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](c2ncc[nH]2)c2ccccc2)nc[nH+]1 ZINC000127869523 508512656 /nfs/dbraw/zinc/51/26/56/508512656.db2.gz WABFGXJWSYADRG-LPHOPBHVSA-N 2 2 363.469 2.589 10 0 FFAELP COc1cc([C@H](C)[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)ccc1F ZINC000152856044 508524902 /nfs/dbraw/zinc/52/49/02/508524902.db2.gz DYDVCPALGVFWOQ-KXBFYZLASA-N 2 2 358.457 2.904 10 0 FFAELP COc1cc([C@H](C)[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)ccc1F ZINC000152856044 508524906 /nfs/dbraw/zinc/52/49/06/508524906.db2.gz DYDVCPALGVFWOQ-KXBFYZLASA-N 2 2 358.457 2.904 10 0 FFAELP COCC[N@@H+]1CCN(C(=O)c2ccc(C)c(Oc3cc[nH+]cc3)c2)C[C@H]1C ZINC000117288262 508589137 /nfs/dbraw/zinc/58/91/37/508589137.db2.gz OOGPBZHGNGXOEU-QGZVFWFLSA-N 2 2 369.465 2.975 10 0 FFAELP COCC[N@H+]1CCN(C(=O)c2ccc(C)c(Oc3cc[nH+]cc3)c2)C[C@H]1C ZINC000117288262 508589139 /nfs/dbraw/zinc/58/91/39/508589139.db2.gz OOGPBZHGNGXOEU-QGZVFWFLSA-N 2 2 369.465 2.975 10 0 FFAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)C1 ZINC000157848415 508621440 /nfs/dbraw/zinc/62/14/40/508621440.db2.gz CWTQQPOSESCMHT-MJGOQNOKSA-N 2 2 373.545 2.990 10 0 FFAELP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)C1 ZINC000157848415 508621442 /nfs/dbraw/zinc/62/14/42/508621442.db2.gz CWTQQPOSESCMHT-MJGOQNOKSA-N 2 2 373.545 2.990 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NC(=O)Nc2ccccc2)C1 ZINC000155224844 508952645 /nfs/dbraw/zinc/95/26/45/508952645.db2.gz GYSLZWPPSVIQKE-DOTOQJQBSA-N 2 2 369.469 2.819 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NC(=O)Nc2ccccc2)C1 ZINC000155224844 508952648 /nfs/dbraw/zinc/95/26/48/508952648.db2.gz GYSLZWPPSVIQKE-DOTOQJQBSA-N 2 2 369.469 2.819 10 0 FFAELP COc1ccc2c(c1)[C@H]([NH2+]C[C@H](O)C[N@@H+]1CCc3ccccc3C1)CC2 ZINC000151777489 509081515 /nfs/dbraw/zinc/08/15/15/509081515.db2.gz YFMNXXSFBXUVCT-SIKLNZKXSA-N 2 2 352.478 2.691 10 0 FFAELP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)CC1 ZINC000121150195 509139056 /nfs/dbraw/zinc/13/90/56/509139056.db2.gz YRLIPJSUDRDHRJ-SFHVURJKSA-N 2 2 374.529 2.614 10 0 FFAELP Cc1[nH+]ccn1CCCN(C)C(=O)NC1CCN(c2cccc(C)[nH+]2)CC1 ZINC000121309683 509165104 /nfs/dbraw/zinc/16/51/04/509165104.db2.gz ZYPRRNDLAGDODH-UHFFFAOYSA-N 2 2 370.501 2.595 10 0 FFAELP Cc1cc2[nH+]cn(C[C@H](O)C[NH+]3CCC(c4ccnn4C)CC3)c2cc1C ZINC000195504106 509198347 /nfs/dbraw/zinc/19/83/47/509198347.db2.gz OVLFQALIRIQGGL-GOSISDBHSA-N 2 2 367.497 2.627 10 0 FFAELP CCCn1cc(C[N@@H+]2CCCN(C(=O)Nc3cc[nH+]c(C)c3)CC2)cn1 ZINC000179410951 509429985 /nfs/dbraw/zinc/42/99/85/509429985.db2.gz DUXMNFDXUQNCTA-UHFFFAOYSA-N 2 2 356.474 2.736 10 0 FFAELP CCCn1cc(C[N@H+]2CCCN(C(=O)Nc3cc[nH+]c(C)c3)CC2)cn1 ZINC000179410951 509429993 /nfs/dbraw/zinc/42/99/93/509429993.db2.gz DUXMNFDXUQNCTA-UHFFFAOYSA-N 2 2 356.474 2.736 10 0 FFAELP CSc1ccc(C[NH+]2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)cc1 ZINC000170941474 509860763 /nfs/dbraw/zinc/86/07/63/509860763.db2.gz QNCSMUKMHQVIEH-LJQANCHMSA-N 2 2 363.571 2.635 10 0 FFAELP CSc1ccc(C[NH+]2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)cc1 ZINC000170941474 509860775 /nfs/dbraw/zinc/86/07/75/509860775.db2.gz QNCSMUKMHQVIEH-LJQANCHMSA-N 2 2 363.571 2.635 10 0 FFAELP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c1C ZINC000245514339 509977440 /nfs/dbraw/zinc/97/74/40/509977440.db2.gz BRCPRMWBQRJXSG-VQTJNVASSA-N 2 2 372.557 2.732 10 0 FFAELP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c1C ZINC000245514339 509977454 /nfs/dbraw/zinc/97/74/54/509977454.db2.gz BRCPRMWBQRJXSG-VQTJNVASSA-N 2 2 372.557 2.732 10 0 FFAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2cccc(NC(C)=O)c2)nc[nH+]1 ZINC000180570200 509990527 /nfs/dbraw/zinc/99/05/27/509990527.db2.gz XKJCQJYOYQWPHB-KDOFPFPSSA-N 2 2 368.485 2.796 10 0 FFAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)Cc2ccccc2OC)nc[nH+]1 ZINC000180573742 509991783 /nfs/dbraw/zinc/99/17/83/509991783.db2.gz QIAISPBBQNSFJK-DOTOQJQBSA-N 2 2 355.486 2.717 10 0 FFAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2ccc(OC)cc2F)nc[nH+]1 ZINC000180576558 509992988 /nfs/dbraw/zinc/99/29/88/509992988.db2.gz KTQTWNOZQAAXQP-KGLIPLIRSA-N 2 2 359.449 2.986 10 0 FFAELP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](O)COCc1ccc(Cl)cc1 ZINC000177330449 509998813 /nfs/dbraw/zinc/99/88/13/509998813.db2.gz SNYULUMOZJSPFA-QYZOEREBSA-N 2 2 352.906 2.776 10 0 FFAELP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](O)COCc1ccc(Cl)cc1 ZINC000177330449 509998819 /nfs/dbraw/zinc/99/88/19/509998819.db2.gz SNYULUMOZJSPFA-QYZOEREBSA-N 2 2 352.906 2.776 10 0 FFAELP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)COCc1ccc(Cl)cc1 ZINC000177330449 509998825 /nfs/dbraw/zinc/99/88/25/509998825.db2.gz SNYULUMOZJSPFA-QYZOEREBSA-N 2 2 352.906 2.776 10 0 FFAELP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)COCc1ccc(Cl)cc1 ZINC000177330449 509998829 /nfs/dbraw/zinc/99/88/29/509998829.db2.gz SNYULUMOZJSPFA-QYZOEREBSA-N 2 2 352.906 2.776 10 0 FFAELP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000193647381 510004539 /nfs/dbraw/zinc/00/45/39/510004539.db2.gz KYUDPJWYCQFMJH-ZVDOUQERSA-N 2 2 371.525 2.632 10 0 FFAELP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000193647381 510004546 /nfs/dbraw/zinc/00/45/46/510004546.db2.gz KYUDPJWYCQFMJH-ZVDOUQERSA-N 2 2 371.525 2.632 10 0 FFAELP COc1ccc([C@@H]2CCCCCN2C(=O)C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1 ZINC000193647381 510004551 /nfs/dbraw/zinc/00/45/51/510004551.db2.gz KYUDPJWYCQFMJH-ZVDOUQERSA-N 2 2 371.525 2.632 10 0 FFAELP COc1ccc([C@@H]2CCCCCN2C(=O)C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1 ZINC000193647381 510004560 /nfs/dbraw/zinc/00/45/60/510004560.db2.gz KYUDPJWYCQFMJH-ZVDOUQERSA-N 2 2 371.525 2.632 10 0 FFAELP COC(=O)[C@@H](C)Oc1ccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1 ZINC000245806928 510152361 /nfs/dbraw/zinc/15/23/61/510152361.db2.gz YRMIKEOIHRDKFU-CRAIPNDOSA-N 2 2 357.454 2.796 10 0 FFAELP Cc1ccc(CN(C(=O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)C2CC2)o1 ZINC000171641335 510269166 /nfs/dbraw/zinc/26/91/66/510269166.db2.gz QKFUOBZWPRAOFN-KRWDZBQOSA-N 2 2 368.481 2.908 10 0 FFAELP Cc1ccc(CN(C(=O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)C2CC2)o1 ZINC000171641335 510269173 /nfs/dbraw/zinc/26/91/73/510269173.db2.gz QKFUOBZWPRAOFN-KRWDZBQOSA-N 2 2 368.481 2.908 10 0 FFAELP C[C@H](C(=O)NCCc1ccc(F)cc1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246061286 510271599 /nfs/dbraw/zinc/27/15/99/510271599.db2.gz AKKLWGFGMDCJSN-AEFFLSMTSA-N 2 2 370.472 2.702 10 0 FFAELP C[C@H](C(=O)NCCc1ccc(F)cc1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246061286 510271604 /nfs/dbraw/zinc/27/16/04/510271604.db2.gz AKKLWGFGMDCJSN-AEFFLSMTSA-N 2 2 370.472 2.702 10 0 FFAELP C[C@H](C(=O)Nc1cccnc1Cl)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171644196 510273268 /nfs/dbraw/zinc/27/32/68/510273268.db2.gz NNTVXXHZJNEECO-ZIAGYGMSSA-N 2 2 359.861 2.891 10 0 FFAELP C[C@H](C(=O)Nc1cccnc1Cl)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171644196 510273276 /nfs/dbraw/zinc/27/32/76/510273276.db2.gz NNTVXXHZJNEECO-ZIAGYGMSSA-N 2 2 359.861 2.891 10 0 FFAELP COc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000171653176 510283746 /nfs/dbraw/zinc/28/37/46/510283746.db2.gz WUBZLPFIJYBIGR-INIZCTEOSA-N 2 2 354.454 2.771 10 0 FFAELP COc1ccccc1NC(=O)C[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000171653176 510283754 /nfs/dbraw/zinc/28/37/54/510283754.db2.gz WUBZLPFIJYBIGR-INIZCTEOSA-N 2 2 354.454 2.771 10 0 FFAELP C[C@H]1C[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CCS1 ZINC000171686510 510306919 /nfs/dbraw/zinc/30/69/19/510306919.db2.gz JNDFDMHQVCYXLM-HNNXBMFYSA-N 2 2 365.568 2.611 10 0 FFAELP C[C@H]1C[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CCS1 ZINC000171686510 510306927 /nfs/dbraw/zinc/30/69/27/510306927.db2.gz JNDFDMHQVCYXLM-HNNXBMFYSA-N 2 2 365.568 2.611 10 0 FFAELP C[C@@H]1CCCC[C@H]1OCCNC(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246142248 510318019 /nfs/dbraw/zinc/31/80/19/510318019.db2.gz NZPAICFRNNPMHJ-CEXWTWQISA-N 2 2 374.529 2.527 10 0 FFAELP C[C@@H]1CCCC[C@H]1OCCNC(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246142248 510318021 /nfs/dbraw/zinc/31/80/21/510318021.db2.gz NZPAICFRNNPMHJ-CEXWTWQISA-N 2 2 374.529 2.527 10 0 FFAELP CN(C(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)c1nc2ccccc2s1 ZINC000246555960 510553202 /nfs/dbraw/zinc/55/32/02/510553202.db2.gz BDTDALWCBBFKAL-GOEBONIOSA-N 2 2 358.511 2.675 10 0 FFAELP CN(C(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)c1nc2ccccc2s1 ZINC000246555960 510553209 /nfs/dbraw/zinc/55/32/09/510553209.db2.gz BDTDALWCBBFKAL-GOEBONIOSA-N 2 2 358.511 2.675 10 0 FFAELP CN(C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)c1nc2ccccc2s1 ZINC000246555960 510553215 /nfs/dbraw/zinc/55/32/15/510553215.db2.gz BDTDALWCBBFKAL-GOEBONIOSA-N 2 2 358.511 2.675 10 0 FFAELP CN(C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)c1nc2ccccc2s1 ZINC000246555960 510553219 /nfs/dbraw/zinc/55/32/19/510553219.db2.gz BDTDALWCBBFKAL-GOEBONIOSA-N 2 2 358.511 2.675 10 0 FFAELP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)C1 ZINC000246688990 510620119 /nfs/dbraw/zinc/62/01/19/510620119.db2.gz RJWADBAYIOFZIG-KURKYZTESA-N 2 2 361.534 2.814 10 0 FFAELP CCC(C)(C)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195256180 510741935 /nfs/dbraw/zinc/74/19/35/510741935.db2.gz GFCULKUKFAQUMO-HZPDHXFCSA-N 2 2 366.575 2.899 10 0 FFAELP CCC(C)(C)NC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195256180 510741940 /nfs/dbraw/zinc/74/19/40/510741940.db2.gz GFCULKUKFAQUMO-HZPDHXFCSA-N 2 2 366.575 2.899 10 0 FFAELP CCC(C)(C)NC(=O)[C@@H](C)[NH+]1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195256180 510741941 /nfs/dbraw/zinc/74/19/41/510741941.db2.gz GFCULKUKFAQUMO-HZPDHXFCSA-N 2 2 366.575 2.899 10 0 FFAELP CCC(C)(C)NC(=O)[C@@H](C)[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195256180 510741946 /nfs/dbraw/zinc/74/19/46/510741946.db2.gz GFCULKUKFAQUMO-HZPDHXFCSA-N 2 2 366.575 2.899 10 0 FFAELP COc1ccc(C)cc1NC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246941752 510758641 /nfs/dbraw/zinc/75/86/41/510758641.db2.gz UFKZQWKKBWEAPE-QFBILLFUSA-N 2 2 357.498 2.891 10 0 FFAELP COc1ccc(C)cc1NC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246941752 510758648 /nfs/dbraw/zinc/75/86/48/510758648.db2.gz UFKZQWKKBWEAPE-QFBILLFUSA-N 2 2 357.498 2.891 10 0 FFAELP COc1ccc(C)cc1NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246941752 510758650 /nfs/dbraw/zinc/75/86/50/510758650.db2.gz UFKZQWKKBWEAPE-QFBILLFUSA-N 2 2 357.498 2.891 10 0 FFAELP COc1ccc(C)cc1NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246941752 510758654 /nfs/dbraw/zinc/75/86/54/510758654.db2.gz UFKZQWKKBWEAPE-QFBILLFUSA-N 2 2 357.498 2.891 10 0 FFAELP C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195286598 510761707 /nfs/dbraw/zinc/76/17/07/510761707.db2.gz AQHDSZIAUFSMPJ-UKAVVXHISA-N 2 2 372.557 2.919 10 0 FFAELP C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195286598 510761713 /nfs/dbraw/zinc/76/17/13/510761713.db2.gz AQHDSZIAUFSMPJ-UKAVVXHISA-N 2 2 372.557 2.919 10 0 FFAELP C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195286598 510761719 /nfs/dbraw/zinc/76/17/19/510761719.db2.gz AQHDSZIAUFSMPJ-UKAVVXHISA-N 2 2 372.557 2.919 10 0 FFAELP C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195286598 510761724 /nfs/dbraw/zinc/76/17/24/510761724.db2.gz AQHDSZIAUFSMPJ-UKAVVXHISA-N 2 2 372.557 2.919 10 0 FFAELP COC(=O)c1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c(F)c1 ZINC000195295314 510766702 /nfs/dbraw/zinc/76/67/02/510766702.db2.gz YJGIXPCWRUGROX-KRWDZBQOSA-N 2 2 371.456 2.961 10 0 FFAELP COC(=O)c1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c(F)c1 ZINC000195295314 510766707 /nfs/dbraw/zinc/76/67/07/510766707.db2.gz YJGIXPCWRUGROX-KRWDZBQOSA-N 2 2 371.456 2.961 10 0 FFAELP COC(=O)c1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)c(F)c1 ZINC000195295314 510766716 /nfs/dbraw/zinc/76/67/16/510766716.db2.gz YJGIXPCWRUGROX-KRWDZBQOSA-N 2 2 371.456 2.961 10 0 FFAELP COC(=O)c1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)c(F)c1 ZINC000195295314 510766721 /nfs/dbraw/zinc/76/67/21/510766721.db2.gz YJGIXPCWRUGROX-KRWDZBQOSA-N 2 2 371.456 2.961 10 0 FFAELP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N2CC[NH+]3CCC[C@H]3C2)C[C@H](C)O1 ZINC000247495274 510863202 /nfs/dbraw/zinc/86/32/02/510863202.db2.gz MKMLFINCSIIIJO-SCTDSRPQSA-N 2 2 372.513 2.608 10 0 FFAELP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N2CC[NH+]3CCC[C@H]3C2)C[C@H](C)O1 ZINC000247495274 510863203 /nfs/dbraw/zinc/86/32/03/510863203.db2.gz MKMLFINCSIIIJO-SCTDSRPQSA-N 2 2 372.513 2.608 10 0 FFAELP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)C[C@H](C)O1 ZINC000247495274 510863204 /nfs/dbraw/zinc/86/32/04/510863204.db2.gz MKMLFINCSIIIJO-SCTDSRPQSA-N 2 2 372.513 2.608 10 0 FFAELP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2CC[N@H+]3CCC[C@H]3C2)C[C@H](C)O1 ZINC000247495274 510863205 /nfs/dbraw/zinc/86/32/05/510863205.db2.gz MKMLFINCSIIIJO-SCTDSRPQSA-N 2 2 372.513 2.608 10 0 FFAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+]([C@H](C)c3ccc(F)cc3F)CC2)C1 ZINC000247773656 510870031 /nfs/dbraw/zinc/87/00/31/510870031.db2.gz PXNARRCYLDPRFY-AEFFLSMTSA-N 2 2 367.484 2.753 10 0 FFAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+]([C@H](C)c3ccc(F)cc3F)CC2)C1 ZINC000247773656 510870032 /nfs/dbraw/zinc/87/00/32/510870032.db2.gz PXNARRCYLDPRFY-AEFFLSMTSA-N 2 2 367.484 2.753 10 0 FFAELP CCOC(=O)c1c[nH+]c2c(C)c(C)ccc2c1N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000301709817 511700446 /nfs/dbraw/zinc/70/04/46/511700446.db2.gz JWDADDWZDMIXPC-MSOLQXFVSA-N 2 2 369.465 2.548 10 0 FFAELP CCOC(=O)c1c[nH+]c2c(C)c(C)ccc2c1N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000301709817 511700453 /nfs/dbraw/zinc/70/04/53/511700453.db2.gz JWDADDWZDMIXPC-MSOLQXFVSA-N 2 2 369.465 2.548 10 0 FFAELP C[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3nc4c(s3)CCC4)C2)ccn1 ZINC000886059658 733744214 /nfs/dbraw/zinc/74/42/14/733744214.db2.gz PMCSPRZAACBWGE-INIZCTEOSA-N 2 2 358.511 2.742 10 0 FFAELP C[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3nc4c(s3)CCC4)C2)ccn1 ZINC000886059658 733744216 /nfs/dbraw/zinc/74/42/16/733744216.db2.gz PMCSPRZAACBWGE-INIZCTEOSA-N 2 2 358.511 2.742 10 0 FFAELP CC(=O)c1ccccc1NC(=O)C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000106165948 250245829 /nfs/dbraw/zinc/24/58/29/250245829.db2.gz RSIMBCVQXNVBAD-UHFFFAOYSA-N 2 2 354.454 2.516 10 0 FFAELP Cc1cc(NC(=O)C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)n(C(C)(C)C)n1 ZINC000106163585 250247238 /nfs/dbraw/zinc/24/72/38/250247238.db2.gz OTVPLUBMRCKSPE-UHFFFAOYSA-N 2 2 372.517 2.573 10 0 FFAELP Cc1cc2[nH+]cn(C[C@H](O)C[NH+]3CCC(Cn4cccn4)CC3)c2cc1C ZINC000106182657 250252047 /nfs/dbraw/zinc/25/20/47/250252047.db2.gz WWNNREDEKYVABE-LJQANCHMSA-N 2 2 367.497 2.623 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NCc2ccc(F)cc2)C1 ZINC000106215220 250256136 /nfs/dbraw/zinc/25/61/36/250256136.db2.gz HGRUVYHKDNETFW-MAUKXSAKSA-N 2 2 358.461 2.926 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NCc2ccc(F)cc2)C1 ZINC000106215220 250256140 /nfs/dbraw/zinc/25/61/40/250256140.db2.gz HGRUVYHKDNETFW-MAUKXSAKSA-N 2 2 358.461 2.926 10 0 FFAELP COc1ccc(NC(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1Cl ZINC000252652701 251311612 /nfs/dbraw/zinc/31/16/12/251311612.db2.gz FDKKBAMEJQUTOE-XJKSGUPXSA-N 2 2 351.878 2.703 10 0 FFAELP COc1ccc(NC(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1Cl ZINC000252652701 251311617 /nfs/dbraw/zinc/31/16/17/251311617.db2.gz FDKKBAMEJQUTOE-XJKSGUPXSA-N 2 2 351.878 2.703 10 0 FFAELP COc1ccc(NC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1Cl ZINC000252652701 251311621 /nfs/dbraw/zinc/31/16/21/251311621.db2.gz FDKKBAMEJQUTOE-XJKSGUPXSA-N 2 2 351.878 2.703 10 0 FFAELP COc1ccc(NC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1Cl ZINC000252652701 251311626 /nfs/dbraw/zinc/31/16/26/251311626.db2.gz FDKKBAMEJQUTOE-XJKSGUPXSA-N 2 2 351.878 2.703 10 0 FFAELP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNc2cc(N3CCC[C@@H]3CO)[nH+]cn2)C1 ZINC000110214904 508014033 /nfs/dbraw/zinc/01/40/33/508014033.db2.gz OLSXPGIKQRSPHB-FGTMMUONSA-N 2 2 361.534 2.608 10 0 FFAELP C[C@@H]1C[C@H](C)C[N@H+](CCCCNc2cc(N3CCC[C@@H]3CO)[nH+]cn2)C1 ZINC000110214904 508014034 /nfs/dbraw/zinc/01/40/34/508014034.db2.gz OLSXPGIKQRSPHB-FGTMMUONSA-N 2 2 361.534 2.608 10 0 FFAELP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNc2cc(N3CCC[C@@H]3CO)nc[nH+]2)C1 ZINC000110214904 508014037 /nfs/dbraw/zinc/01/40/37/508014037.db2.gz OLSXPGIKQRSPHB-FGTMMUONSA-N 2 2 361.534 2.608 10 0 FFAELP C[C@@H]1C[C@H](C)C[N@H+](CCCCNc2cc(N3CCC[C@@H]3CO)nc[nH+]2)C1 ZINC000110214904 508014041 /nfs/dbraw/zinc/01/40/41/508014041.db2.gz OLSXPGIKQRSPHB-FGTMMUONSA-N 2 2 361.534 2.608 10 0 FFAELP Cc1nc2n(n1)CCC[C@H]2[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000092410887 508068879 /nfs/dbraw/zinc/06/88/79/508068879.db2.gz ADFKATZEXSRZCT-QGZVFWFLSA-N 2 2 374.920 2.616 10 0 FFAELP C[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)C1 ZINC000114478837 508320357 /nfs/dbraw/zinc/32/03/57/508320357.db2.gz OTPZDDXBVCXWOD-KRWDZBQOSA-N 2 2 366.509 2.667 10 0 FFAELP C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)C1 ZINC000114478837 508320358 /nfs/dbraw/zinc/32/03/58/508320358.db2.gz OTPZDDXBVCXWOD-KRWDZBQOSA-N 2 2 366.509 2.667 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)NCC2(c3ccccc3)CC2)C1 ZINC000106214130 508397926 /nfs/dbraw/zinc/39/79/26/508397926.db2.gz HWJNGJVJNCDLHH-IBGZPJMESA-N 2 2 366.509 2.930 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)NCC2(c3ccccc3)CC2)C1 ZINC000106214130 508397927 /nfs/dbraw/zinc/39/79/27/508397927.db2.gz HWJNGJVJNCDLHH-IBGZPJMESA-N 2 2 366.509 2.930 10 0 FFAELP CCCn1cc(C[N@@H+]2CCCN(c3cc(C)[nH+]c(C4CC4)n3)CC2)cn1 ZINC000116261519 508492590 /nfs/dbraw/zinc/49/25/90/508492590.db2.gz ILNSTCWVBUYJIB-UHFFFAOYSA-N 2 2 354.502 2.981 10 0 FFAELP CCCn1cc(C[N@H+]2CCCN(c3cc(C)[nH+]c(C4CC4)n3)CC2)cn1 ZINC000116261519 508492591 /nfs/dbraw/zinc/49/25/91/508492591.db2.gz ILNSTCWVBUYJIB-UHFFFAOYSA-N 2 2 354.502 2.981 10 0 FFAELP O=C(C[N@@H+]1CCC[C@@H]1c1ccco1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000116294332 508495944 /nfs/dbraw/zinc/49/59/44/508495944.db2.gz XZIBGZQCIVTFSE-LJQANCHMSA-N 2 2 369.465 2.887 10 0 FFAELP O=C(C[N@H+]1CCC[C@@H]1c1ccco1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000116294332 508495947 /nfs/dbraw/zinc/49/59/47/508495947.db2.gz XZIBGZQCIVTFSE-LJQANCHMSA-N 2 2 369.465 2.887 10 0 FFAELP c1[nH]nc(-c2ccc3c(c2)OCCO3)c1C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000127775180 508498995 /nfs/dbraw/zinc/49/89/95/508498995.db2.gz WVWLHWPVDPXDAW-UHFFFAOYSA-N 2 2 368.481 2.908 10 0 FFAELP CC(C)[N@H+]1C[C@H](NC(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)[C@@H](C)C1 ZINC000157848568 508621700 /nfs/dbraw/zinc/62/17/00/508621700.db2.gz CWTQQPOSESCMHT-HKUYNNGSSA-N 2 2 373.545 2.990 10 0 FFAELP CC(C)[N@@H+]1C[C@H](NC(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)[C@@H](C)C1 ZINC000157848568 508621702 /nfs/dbraw/zinc/62/17/02/508621702.db2.gz CWTQQPOSESCMHT-HKUYNNGSSA-N 2 2 373.545 2.990 10 0 FFAELP CC(C)[N@H+]1C[C@H](NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)[C@@H](C)C1 ZINC000123302665 508665611 /nfs/dbraw/zinc/66/56/11/508665611.db2.gz FVIAEGKVZFGBOV-WMZOPIPTSA-N 2 2 371.485 2.812 10 0 FFAELP CC(C)[N@@H+]1C[C@H](NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)[C@@H](C)C1 ZINC000123302665 508665614 /nfs/dbraw/zinc/66/56/14/508665614.db2.gz FVIAEGKVZFGBOV-WMZOPIPTSA-N 2 2 371.485 2.812 10 0 FFAELP C[NH+]1CCN([C@@H]2CCCC[N@H+](Cc3cn4cc(Cl)ccc4n3)C2)CC1 ZINC000136072428 508668046 /nfs/dbraw/zinc/66/80/46/508668046.db2.gz YJLXYAWNXFUYLR-GOSISDBHSA-N 2 2 361.921 2.590 10 0 FFAELP C[NH+]1CCN([C@@H]2CCCC[N@@H+](Cc3cn4cc(Cl)ccc4n3)C2)CC1 ZINC000136072428 508668051 /nfs/dbraw/zinc/66/80/51/508668051.db2.gz YJLXYAWNXFUYLR-GOSISDBHSA-N 2 2 361.921 2.590 10 0 FFAELP Cc1ccc2[nH+]c(CSCC(=O)N[C@H]3C[N@H+](C(C)C)C[C@@H]3C)cn2c1 ZINC000159024660 508782317 /nfs/dbraw/zinc/78/23/17/508782317.db2.gz WEOUUDMKQREDSE-RDJZCZTQSA-N 2 2 360.527 2.721 10 0 FFAELP Cc1ccc2[nH+]c(CSCC(=O)N[C@H]3C[N@@H+](C(C)C)C[C@@H]3C)cn2c1 ZINC000159024660 508782321 /nfs/dbraw/zinc/78/23/21/508782321.db2.gz WEOUUDMKQREDSE-RDJZCZTQSA-N 2 2 360.527 2.721 10 0 FFAELP Cc1cccc(S(=O)(=O)CCC[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000155256738 508960143 /nfs/dbraw/zinc/96/01/43/508960143.db2.gz YRHNTGPXDAOSGK-GOSISDBHSA-N 2 2 373.522 2.988 10 0 FFAELP Cc1cccc(S(=O)(=O)CCC[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000155256738 508960149 /nfs/dbraw/zinc/96/01/49/508960149.db2.gz YRHNTGPXDAOSGK-GOSISDBHSA-N 2 2 373.522 2.988 10 0 FFAELP Cc1cc(C)n(C[C@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3C)CCO2)n1 ZINC000192008285 509293059 /nfs/dbraw/zinc/29/30/59/509293059.db2.gz QUJBLTITCFMURN-OAQYLSRUSA-N 2 2 365.481 2.895 10 0 FFAELP Cc1cc(C)n(C[C@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3C)CCO2)n1 ZINC000192008285 509293061 /nfs/dbraw/zinc/29/30/61/509293061.db2.gz QUJBLTITCFMURN-OAQYLSRUSA-N 2 2 365.481 2.895 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000176182586 509363973 /nfs/dbraw/zinc/36/39/73/509363973.db2.gz YLTHTFDQWOOJBW-QGZVFWFLSA-N 2 2 352.442 2.522 10 0 FFAELP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](C[C@@H](O)c2ccc(F)cc2Cl)CC1 ZINC000248563817 509365661 /nfs/dbraw/zinc/36/56/61/509365661.db2.gz NYRFOGDOWINMNX-QFBILLFUSA-N 2 2 369.912 2.614 10 0 FFAELP C[N@H+]1CCCC[C@H]1CN1CC[NH+](C[C@@H](O)c2ccc(F)cc2Cl)CC1 ZINC000248563817 509365670 /nfs/dbraw/zinc/36/56/70/509365670.db2.gz NYRFOGDOWINMNX-QFBILLFUSA-N 2 2 369.912 2.614 10 0 FFAELP Cn1cc[nH+]c1-c1cccc(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000176352161 509460788 /nfs/dbraw/zinc/46/07/88/509460788.db2.gz IWWVQNXGCXPYMF-QGZVFWFLSA-N 2 2 350.426 2.980 10 0 FFAELP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)c1C ZINC000182910275 509491045 /nfs/dbraw/zinc/49/10/45/509491045.db2.gz BRCPRMWBQRJXSG-PMACEKPBSA-N 2 2 372.557 2.732 10 0 FFAELP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)c1C ZINC000182910275 509491052 /nfs/dbraw/zinc/49/10/52/509491052.db2.gz BRCPRMWBQRJXSG-PMACEKPBSA-N 2 2 372.557 2.732 10 0 FFAELP Brc1ccc([C@H]([NH2+]CCn2cc[nH+]c2)c2cncnc2)cc1 ZINC000186079608 509511819 /nfs/dbraw/zinc/51/18/19/509511819.db2.gz SGVJVFFWDCPXIN-INIZCTEOSA-N 2 2 358.243 2.815 10 0 FFAELP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCS(=O)(=O)c3ccccc32)cn1 ZINC000186120162 509531919 /nfs/dbraw/zinc/53/19/19/509531919.db2.gz JAKBJLQEIAPGSE-QGZVFWFLSA-N 2 2 368.462 2.584 10 0 FFAELP CCO[C@@H]1C[C@H]([NH2+]c2ccc(N3CC[NH+](C)CC3)cc2)C12CCOCC2 ZINC000186476965 509729164 /nfs/dbraw/zinc/72/91/64/509729164.db2.gz KJBAZAFOIHXWMD-VQTJNVASSA-N 2 2 359.514 2.825 10 0 FFAELP CC(C)CO[C@H](C)c1noc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)n1 ZINC000173886870 509835808 /nfs/dbraw/zinc/83/58/08/509835808.db2.gz ZOSALDJFKFMFOA-OAHLLOKOSA-N 2 2 361.490 2.991 10 0 FFAELP Cc1cc(C[NH+]2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)c(C)s1 ZINC000170941292 509859233 /nfs/dbraw/zinc/85/92/33/509859233.db2.gz JUVAMGMBQFXKEP-IBGZPJMESA-N 2 2 351.560 2.592 10 0 FFAELP Cc1cc(C[NH+]2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)c(C)s1 ZINC000170941292 509859243 /nfs/dbraw/zinc/85/92/43/509859243.db2.gz JUVAMGMBQFXKEP-IBGZPJMESA-N 2 2 351.560 2.592 10 0 FFAELP Cc1cc(C[NH+]2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)c(C)s1 ZINC000170941289 509860267 /nfs/dbraw/zinc/86/02/67/509860267.db2.gz JUVAMGMBQFXKEP-LJQANCHMSA-N 2 2 351.560 2.592 10 0 FFAELP Cc1cc(C[NH+]2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)c(C)s1 ZINC000170941289 509860273 /nfs/dbraw/zinc/86/02/73/509860273.db2.gz JUVAMGMBQFXKEP-LJQANCHMSA-N 2 2 351.560 2.592 10 0 FFAELP C[C@@H](NC(=O)Nc1ccn(CC[NH+](C)C)n1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173946096 509869088 /nfs/dbraw/zinc/86/90/88/509869088.db2.gz WUFOJSZMLOTHJM-OAHLLOKOSA-N 2 2 367.457 2.513 10 0 FFAELP C[N@H+]1C[C@@H]2C[NH+]([C@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)C[C@@H]2C1 ZINC000193652734 510006368 /nfs/dbraw/zinc/00/63/68/510006368.db2.gz NUJVNPUNPPOUFO-OZVIIMIRSA-N 2 2 354.281 2.592 10 0 FFAELP C[N@@H+]1C[C@@H]2C[NH+]([C@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)C[C@@H]2C1 ZINC000193652734 510006376 /nfs/dbraw/zinc/00/63/76/510006376.db2.gz NUJVNPUNPPOUFO-OZVIIMIRSA-N 2 2 354.281 2.592 10 0 FFAELP C[NH+]1C[C@@H]2C[N@H+]([C@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)C[C@@H]2C1 ZINC000193652734 510006382 /nfs/dbraw/zinc/00/63/82/510006382.db2.gz NUJVNPUNPPOUFO-OZVIIMIRSA-N 2 2 354.281 2.592 10 0 FFAELP C[NH+]1C[C@@H]2C[N@@H+]([C@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)C[C@@H]2C1 ZINC000193652734 510006392 /nfs/dbraw/zinc/00/63/92/510006392.db2.gz NUJVNPUNPPOUFO-OZVIIMIRSA-N 2 2 354.281 2.592 10 0 FFAELP O=C(NCc1ccccc1C[NH+]1CCCC1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177370668 510019134 /nfs/dbraw/zinc/01/91/34/510019134.db2.gz LLJIBAVXIGJRTB-HXUWFJFHSA-N 2 2 367.497 2.853 10 0 FFAELP C[C@@H]1CC[N@H+](C[C@H](O)COCc2ccc(Cl)cc2)C[C@H]1n1cc[nH+]c1 ZINC000245593767 510026233 /nfs/dbraw/zinc/02/62/33/510026233.db2.gz LDGWAQZLQWICOW-AYOQOUSVSA-N 2 2 363.889 2.997 10 0 FFAELP C[C@@H]1CC[N@@H+](C[C@H](O)COCc2ccc(Cl)cc2)C[C@H]1n1cc[nH+]c1 ZINC000245593767 510026244 /nfs/dbraw/zinc/02/62/44/510026244.db2.gz LDGWAQZLQWICOW-AYOQOUSVSA-N 2 2 363.889 2.997 10 0 FFAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2cccc3c2OCCO3)C1 ZINC000190472277 510150723 /nfs/dbraw/zinc/15/07/23/510150723.db2.gz IAWPVDSTOJARCU-SFHVURJKSA-N 2 2 353.466 2.807 10 0 FFAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2cccc3c2OCCO3)C1 ZINC000190472277 510150724 /nfs/dbraw/zinc/15/07/24/510150724.db2.gz IAWPVDSTOJARCU-SFHVURJKSA-N 2 2 353.466 2.807 10 0 FFAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](Cc2cccc3c2OCCO3)C1 ZINC000190472277 510150729 /nfs/dbraw/zinc/15/07/29/510150729.db2.gz IAWPVDSTOJARCU-SFHVURJKSA-N 2 2 353.466 2.807 10 0 FFAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](Cc2cccc3c2OCCO3)C1 ZINC000190472277 510150735 /nfs/dbraw/zinc/15/07/35/510150735.db2.gz IAWPVDSTOJARCU-SFHVURJKSA-N 2 2 353.466 2.807 10 0 FFAELP CC(=O)Nc1ccccc1C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190473585 510152381 /nfs/dbraw/zinc/15/23/81/510152381.db2.gz RPRXLNXSTQWVHK-IBGZPJMESA-N 2 2 352.482 2.994 10 0 FFAELP CC(=O)Nc1ccccc1C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190473585 510152387 /nfs/dbraw/zinc/15/23/87/510152387.db2.gz RPRXLNXSTQWVHK-IBGZPJMESA-N 2 2 352.482 2.994 10 0 FFAELP CC(=O)Nc1ccccc1C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190473585 510152391 /nfs/dbraw/zinc/15/23/91/510152391.db2.gz RPRXLNXSTQWVHK-IBGZPJMESA-N 2 2 352.482 2.994 10 0 FFAELP CC(=O)Nc1ccccc1C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190473585 510152398 /nfs/dbraw/zinc/15/23/98/510152398.db2.gz RPRXLNXSTQWVHK-IBGZPJMESA-N 2 2 352.482 2.994 10 0 FFAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc3[nH+]ccn3c2)C1 ZINC000190531099 510187365 /nfs/dbraw/zinc/18/73/65/510187365.db2.gz IDHVGXGKNYVQSA-HNNXBMFYSA-N 2 2 369.494 2.693 10 0 FFAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc3[nH+]ccn3c2)C1 ZINC000190531099 510187373 /nfs/dbraw/zinc/18/73/73/510187373.db2.gz IDHVGXGKNYVQSA-HNNXBMFYSA-N 2 2 369.494 2.693 10 0 FFAELP Cc1cccc(NC[C@@H]2CC[N@H+](CCCS(=O)(=O)c3ccccc3)C2)[nH+]1 ZINC000171648779 510276806 /nfs/dbraw/zinc/27/68/06/510276806.db2.gz UZXYTQWDFFRZQM-SFHVURJKSA-N 2 2 373.522 2.988 10 0 FFAELP Cc1cccc(NC[C@@H]2CC[N@@H+](CCCS(=O)(=O)c3ccccc3)C2)[nH+]1 ZINC000171648779 510276815 /nfs/dbraw/zinc/27/68/15/510276815.db2.gz UZXYTQWDFFRZQM-SFHVURJKSA-N 2 2 373.522 2.988 10 0 FFAELP O=C(C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)NCc1cccc(Cl)c1 ZINC000171647362 510277888 /nfs/dbraw/zinc/27/78/88/510277888.db2.gz SSWLXRDBOUFFLN-MRXNPFEDSA-N 2 2 358.873 2.785 10 0 FFAELP O=C(C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)NCc1cccc(Cl)c1 ZINC000171647362 510277895 /nfs/dbraw/zinc/27/78/95/510277895.db2.gz SSWLXRDBOUFFLN-MRXNPFEDSA-N 2 2 358.873 2.785 10 0 FFAELP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3nc4ccccc4c(=O)n3C)C2)[nH+]1 ZINC000171650807 510280569 /nfs/dbraw/zinc/28/05/69/510280569.db2.gz HCMRAVFUQNMELF-MRXNPFEDSA-N 2 2 363.465 2.571 10 0 FFAELP Cc1cccc(NC[C@H]2CC[N@H+](Cc3nc4ccccc4c(=O)n3C)C2)[nH+]1 ZINC000171650807 510280576 /nfs/dbraw/zinc/28/05/76/510280576.db2.gz HCMRAVFUQNMELF-MRXNPFEDSA-N 2 2 363.465 2.571 10 0 FFAELP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3nc4ccsc4c(=O)[nH]3)C2)[nH+]1 ZINC000171652368 510282515 /nfs/dbraw/zinc/28/25/15/510282515.db2.gz BSAHCKYRXVSHQA-ZDUSSCGKSA-N 2 2 355.467 2.622 10 0 FFAELP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3nc4ccsc4c(=O)[nH]3)C2)[nH+]1 ZINC000171652368 510282519 /nfs/dbraw/zinc/28/25/19/510282519.db2.gz BSAHCKYRXVSHQA-ZDUSSCGKSA-N 2 2 355.467 2.622 10 0 FFAELP C[C@H](CN1CCOCC1)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000246099042 510292034 /nfs/dbraw/zinc/29/20/34/510292034.db2.gz OKBXJKWTPOYFTF-BAGYTPMASA-N 2 2 357.542 2.694 10 0 FFAELP C[C@H](CN1CCOCC1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000246099042 510292037 /nfs/dbraw/zinc/29/20/37/510292037.db2.gz OKBXJKWTPOYFTF-BAGYTPMASA-N 2 2 357.542 2.694 10 0 FFAELP C[C@H](CN1CCOCC1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000246099042 510292042 /nfs/dbraw/zinc/29/20/42/510292042.db2.gz OKBXJKWTPOYFTF-BAGYTPMASA-N 2 2 357.542 2.694 10 0 FFAELP C[C@H](CN1CCOCC1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000246099042 510292044 /nfs/dbraw/zinc/29/20/44/510292044.db2.gz OKBXJKWTPOYFTF-BAGYTPMASA-N 2 2 357.542 2.694 10 0 FFAELP COc1cccc(NC(=O)CC[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000174765964 510299356 /nfs/dbraw/zinc/29/93/56/510299356.db2.gz HOHVWCUJZXPVSP-INIZCTEOSA-N 2 2 354.454 2.853 10 0 FFAELP COc1cccc(NC(=O)CC[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000174765964 510299362 /nfs/dbraw/zinc/29/93/62/510299362.db2.gz HOHVWCUJZXPVSP-INIZCTEOSA-N 2 2 354.454 2.853 10 0 FFAELP Cn1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(-c2cccnc2)n1 ZINC000246127028 510308396 /nfs/dbraw/zinc/30/83/96/510308396.db2.gz KQOQVFUYTFBJSC-PXNSSMCTSA-N 2 2 351.498 2.931 10 0 FFAELP Cn1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(-c2cccnc2)n1 ZINC000246127028 510308406 /nfs/dbraw/zinc/30/84/06/510308406.db2.gz KQOQVFUYTFBJSC-PXNSSMCTSA-N 2 2 351.498 2.931 10 0 FFAELP Cn1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(-c2cccnc2)n1 ZINC000246127028 510308414 /nfs/dbraw/zinc/30/84/14/510308414.db2.gz KQOQVFUYTFBJSC-PXNSSMCTSA-N 2 2 351.498 2.931 10 0 FFAELP Cn1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(-c2cccnc2)n1 ZINC000246127028 510308421 /nfs/dbraw/zinc/30/84/21/510308421.db2.gz KQOQVFUYTFBJSC-PXNSSMCTSA-N 2 2 351.498 2.931 10 0 FFAELP Cc1[nH]c2ccccc2c1C(=O)C[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174879236 510361800 /nfs/dbraw/zinc/36/18/00/510361800.db2.gz YVHSNVQMXFQPEY-SFHVURJKSA-N 2 2 368.525 2.761 10 0 FFAELP Cc1[nH]c2ccccc2c1C(=O)C[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174879236 510361807 /nfs/dbraw/zinc/36/18/07/510361807.db2.gz YVHSNVQMXFQPEY-SFHVURJKSA-N 2 2 368.525 2.761 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@@H](O)COCc2cccc(OC)c2)C1 ZINC000246328473 510429555 /nfs/dbraw/zinc/42/95/55/510429555.db2.gz KZEOMHDFZXROPM-RBUKOAKNSA-N 2 2 373.497 2.669 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@@H](O)COCc2cccc(OC)c2)C1 ZINC000246328473 510429556 /nfs/dbraw/zinc/42/95/56/510429556.db2.gz KZEOMHDFZXROPM-RBUKOAKNSA-N 2 2 373.497 2.669 10 0 FFAELP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N2CC[NH+]3CCC[C@@H]3C2)C[C@H](C)O1 ZINC000171890264 510432124 /nfs/dbraw/zinc/43/21/24/510432124.db2.gz MKMLFINCSIIIJO-ZIFCJYIRSA-N 2 2 372.513 2.608 10 0 FFAELP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N2CC[NH+]3CCC[C@@H]3C2)C[C@H](C)O1 ZINC000171890264 510432134 /nfs/dbraw/zinc/43/21/34/510432134.db2.gz MKMLFINCSIIIJO-ZIFCJYIRSA-N 2 2 372.513 2.608 10 0 FFAELP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C[C@H](C)O1 ZINC000171890264 510432141 /nfs/dbraw/zinc/43/21/41/510432141.db2.gz MKMLFINCSIIIJO-ZIFCJYIRSA-N 2 2 372.513 2.608 10 0 FFAELP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2CC[N@H+]3CCC[C@@H]3C2)C[C@H](C)O1 ZINC000171890264 510432150 /nfs/dbraw/zinc/43/21/50/510432150.db2.gz MKMLFINCSIIIJO-ZIFCJYIRSA-N 2 2 372.513 2.608 10 0 FFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCCCN1C(=O)c2ccccc2C1=O ZINC000178321607 510544338 /nfs/dbraw/zinc/54/43/38/510544338.db2.gz CAOASVWGIGHPTD-KRWDZBQOSA-N 2 2 366.465 2.732 10 0 FFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCCCN1C(=O)c2ccccc2C1=O ZINC000178321607 510544343 /nfs/dbraw/zinc/54/43/43/510544343.db2.gz CAOASVWGIGHPTD-KRWDZBQOSA-N 2 2 366.465 2.732 10 0 FFAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](CCOCC(F)(F)F)C1 ZINC000195252791 510738564 /nfs/dbraw/zinc/73/85/64/510738564.db2.gz QLJKJCVQWIQUGE-CYBMUJFWSA-N 2 2 351.438 2.784 10 0 FFAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](CCOCC(F)(F)F)C1 ZINC000195252791 510738571 /nfs/dbraw/zinc/73/85/71/510738571.db2.gz QLJKJCVQWIQUGE-CYBMUJFWSA-N 2 2 351.438 2.784 10 0 FFAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](CCOCC(F)(F)F)C1 ZINC000195252791 510738549 /nfs/dbraw/zinc/73/85/49/510738549.db2.gz QLJKJCVQWIQUGE-CYBMUJFWSA-N 2 2 351.438 2.784 10 0 FFAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](CCOCC(F)(F)F)C1 ZINC000195252791 510738557 /nfs/dbraw/zinc/73/85/57/510738557.db2.gz QLJKJCVQWIQUGE-CYBMUJFWSA-N 2 2 351.438 2.784 10 0 FFAELP CCC(C)(C)NC(=O)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195264662 510746628 /nfs/dbraw/zinc/74/66/28/510746628.db2.gz UEQFUNXMMFBQPQ-HNNXBMFYSA-N 2 2 352.548 2.510 10 0 FFAELP CCC(C)(C)NC(=O)C[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195264662 510746635 /nfs/dbraw/zinc/74/66/35/510746635.db2.gz UEQFUNXMMFBQPQ-HNNXBMFYSA-N 2 2 352.548 2.510 10 0 FFAELP CCC(C)(C)NC(=O)C[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195264662 510746639 /nfs/dbraw/zinc/74/66/39/510746639.db2.gz UEQFUNXMMFBQPQ-HNNXBMFYSA-N 2 2 352.548 2.510 10 0 FFAELP CCC(C)(C)NC(=O)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195264662 510746644 /nfs/dbraw/zinc/74/66/44/510746644.db2.gz UEQFUNXMMFBQPQ-HNNXBMFYSA-N 2 2 352.548 2.510 10 0 FFAELP COc1ccc2c(C[N@@H+]3CCC[C@H]3Cn3cc[nH+]c3C)cc(=O)oc2c1 ZINC000178745689 510749694 /nfs/dbraw/zinc/74/96/94/510749694.db2.gz DOKIOBQVSIJKPB-INIZCTEOSA-N 2 2 353.422 2.971 10 0 FFAELP COc1ccc2c(C[N@H+]3CCC[C@H]3Cn3cc[nH+]c3C)cc(=O)oc2c1 ZINC000178745689 510749702 /nfs/dbraw/zinc/74/97/02/510749702.db2.gz DOKIOBQVSIJKPB-INIZCTEOSA-N 2 2 353.422 2.971 10 0 FFAELP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)Nc3ccc(OC(F)F)cc3)CC[C@H]21 ZINC000246943264 510760618 /nfs/dbraw/zinc/76/06/18/510760618.db2.gz NQANPMUKDJDYRI-XJKSGUPXSA-N 2 2 353.413 2.643 10 0 FFAELP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)Nc3ccc(OC(F)F)cc3)CC[C@H]21 ZINC000246943264 510760621 /nfs/dbraw/zinc/76/06/21/510760621.db2.gz NQANPMUKDJDYRI-XJKSGUPXSA-N 2 2 353.413 2.643 10 0 FFAELP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)Nc3ccc(OC(F)F)cc3)CC[C@H]21 ZINC000246943264 510760627 /nfs/dbraw/zinc/76/06/27/510760627.db2.gz NQANPMUKDJDYRI-XJKSGUPXSA-N 2 2 353.413 2.643 10 0 FFAELP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)Nc3ccc(OC(F)F)cc3)CC[C@H]21 ZINC000246943264 510760630 /nfs/dbraw/zinc/76/06/30/510760630.db2.gz NQANPMUKDJDYRI-XJKSGUPXSA-N 2 2 353.413 2.643 10 0 FFAELP C[C@@H](C(=O)NCC1CCCCC1)[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195301190 510770849 /nfs/dbraw/zinc/77/08/49/510770849.db2.gz XAHVWCIWTDKOMJ-GHTZIAJQSA-N 2 2 372.557 2.920 10 0 FFAELP C[C@@H](C(=O)NCC1CCCCC1)[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195301190 510770858 /nfs/dbraw/zinc/77/08/58/510770858.db2.gz XAHVWCIWTDKOMJ-GHTZIAJQSA-N 2 2 372.557 2.920 10 0 FFAELP C[C@@H](C(=O)NCC1CCCCC1)[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195301190 510770867 /nfs/dbraw/zinc/77/08/67/510770867.db2.gz XAHVWCIWTDKOMJ-GHTZIAJQSA-N 2 2 372.557 2.920 10 0 FFAELP C[C@@H](C(=O)NCC1CCCCC1)[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195301190 510770872 /nfs/dbraw/zinc/77/08/72/510770872.db2.gz XAHVWCIWTDKOMJ-GHTZIAJQSA-N 2 2 372.557 2.920 10 0 FFAELP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCc2[nH+]ccn2CCc2ccccc2)C1 ZINC000247290821 510855566 /nfs/dbraw/zinc/85/55/66/510855566.db2.gz KUSYGMMDPGAPOY-PKOBYXMFSA-N 2 2 369.513 2.654 10 0 FFAELP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)NCc2[nH+]ccn2CCc2ccccc2)C1 ZINC000247290821 510855567 /nfs/dbraw/zinc/85/55/67/510855567.db2.gz KUSYGMMDPGAPOY-PKOBYXMFSA-N 2 2 369.513 2.654 10 0 FFAELP CN(C)c1[nH+]cccc1O[C@@H]1CC[N@@H+]([C@H]2CCc3ccccc3NC2=O)C1 ZINC000334059411 511443056 /nfs/dbraw/zinc/44/30/56/511443056.db2.gz XWCCJHGRCGVRTD-AEFFLSMTSA-N 2 2 366.465 2.554 10 0 FFAELP CN(C)c1[nH+]cccc1O[C@@H]1CC[N@H+]([C@H]2CCc3ccccc3NC2=O)C1 ZINC000334059411 511443059 /nfs/dbraw/zinc/44/30/59/511443059.db2.gz XWCCJHGRCGVRTD-AEFFLSMTSA-N 2 2 366.465 2.554 10 0 FFAELP O=C(CC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)N1CCc2ccccc21 ZINC000103473696 250154929 /nfs/dbraw/zinc/15/49/29/250154929.db2.gz GNAPJBCHSSMTQG-KRWDZBQOSA-N 2 2 350.466 2.795 10 0 FFAELP O=C(CC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)N1CCc2ccccc21 ZINC000103473696 250154932 /nfs/dbraw/zinc/15/49/32/250154932.db2.gz GNAPJBCHSSMTQG-KRWDZBQOSA-N 2 2 350.466 2.795 10 0 FFAELP Cc1cccc(NC(=O)C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1C ZINC000106131030 250240793 /nfs/dbraw/zinc/24/07/93/250240793.db2.gz ANDMZGKABMVDRK-UHFFFAOYSA-N 2 2 369.513 2.535 10 0 FFAELP Cc1cccc(NC(=O)C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1C ZINC000106131030 250240797 /nfs/dbraw/zinc/24/07/97/250240797.db2.gz ANDMZGKABMVDRK-UHFFFAOYSA-N 2 2 369.513 2.535 10 0 FFAELP CCOc1ccc(OCC[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1 ZINC000106129507 250241663 /nfs/dbraw/zinc/24/16/63/250241663.db2.gz VTALBWBJOKOXEN-UHFFFAOYSA-N 2 2 372.513 2.757 10 0 FFAELP CCOc1ccc(OCC[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1 ZINC000106129507 250241666 /nfs/dbraw/zinc/24/16/66/250241666.db2.gz VTALBWBJOKOXEN-UHFFFAOYSA-N 2 2 372.513 2.757 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)C1 ZINC000332677808 258240007 /nfs/dbraw/zinc/24/00/07/258240007.db2.gz DUOUWIJIEHGFEZ-IRXDYDNUSA-N 2 2 370.501 2.875 10 0 FFAELP Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1)CCC2 ZINC000332754081 258241687 /nfs/dbraw/zinc/24/16/87/258241687.db2.gz JLYIFGSTWZEUCK-FHWLQOOXSA-N 2 2 367.497 2.814 10 0 FFAELP Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)CCC2 ZINC000332754081 258241688 /nfs/dbraw/zinc/24/16/88/258241688.db2.gz JLYIFGSTWZEUCK-FHWLQOOXSA-N 2 2 367.497 2.814 10 0 FFAELP CCc1cc(N(C)CC2CC[NH+](C[C@H](C)O)CC2)nc(-c2ccncc2)[nH+]1 ZINC000109320323 507954485 /nfs/dbraw/zinc/95/44/85/507954485.db2.gz MVODJYKUWPCQIK-INIZCTEOSA-N 2 2 369.513 2.630 10 0 FFAELP C[C@H](NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000074876265 508066881 /nfs/dbraw/zinc/06/68/81/508066881.db2.gz HUINBTHOHWALDV-QFBILLFUSA-N 2 2 353.470 2.813 10 0 FFAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@]1(C)CCCc2ccccc21 ZINC000101691557 508254669 /nfs/dbraw/zinc/25/46/69/508254669.db2.gz CYSGTUQYBYWANK-JOCHJYFZSA-N 2 2 357.542 2.765 10 0 FFAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@]1(C)CCCc2ccccc21 ZINC000101691557 508254672 /nfs/dbraw/zinc/25/46/72/508254672.db2.gz CYSGTUQYBYWANK-JOCHJYFZSA-N 2 2 357.542 2.765 10 0 FFAELP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000152394146 508437632 /nfs/dbraw/zinc/43/76/32/508437632.db2.gz DLBKXANXIPOUBY-MRXNPFEDSA-N 2 2 361.534 2.732 10 0 FFAELP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000152394146 508437637 /nfs/dbraw/zinc/43/76/37/508437637.db2.gz DLBKXANXIPOUBY-MRXNPFEDSA-N 2 2 361.534 2.732 10 0 FFAELP COCCn1c(C)cc(C(=O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1C ZINC000131299998 508911734 /nfs/dbraw/zinc/91/17/34/508911734.db2.gz DZYPWMAMYGHSTF-SFHVURJKSA-N 2 2 370.497 2.763 10 0 FFAELP COCCn1c(C)cc(C(=O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1C ZINC000131299998 508911736 /nfs/dbraw/zinc/91/17/36/508911736.db2.gz DZYPWMAMYGHSTF-SFHVURJKSA-N 2 2 370.497 2.763 10 0 FFAELP COCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000125312920 508963955 /nfs/dbraw/zinc/96/39/55/508963955.db2.gz JHJOZQIQNFHQQT-WMLDXEAASA-N 2 2 352.442 2.796 10 0 FFAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)C1 ZINC000132359121 509019958 /nfs/dbraw/zinc/01/99/58/509019958.db2.gz DKRMFSACNIQPSR-JLSDUUJJSA-N 2 2 373.476 2.677 10 0 FFAELP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)C1 ZINC000132359121 509019962 /nfs/dbraw/zinc/01/99/62/509019962.db2.gz DKRMFSACNIQPSR-JLSDUUJJSA-N 2 2 373.476 2.677 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)C1 ZINC000151901473 509106623 /nfs/dbraw/zinc/10/66/23/509106623.db2.gz SVMDBCMSSPMEMC-HOTGVXAUSA-N 2 2 359.474 2.688 10 0 FFAELP C[N@H+](Cc1cc(F)c(F)c(F)c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000121217718 509152162 /nfs/dbraw/zinc/15/21/62/509152162.db2.gz KIEIGMMAIHNYLW-UHFFFAOYSA-N 2 2 352.404 2.897 10 0 FFAELP C[N@@H+](Cc1cc(F)c(F)c(F)c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000121217718 509152163 /nfs/dbraw/zinc/15/21/63/509152163.db2.gz KIEIGMMAIHNYLW-UHFFFAOYSA-N 2 2 352.404 2.897 10 0 FFAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000192118913 509354377 /nfs/dbraw/zinc/35/43/77/509354377.db2.gz HFQVMKVGPRFAKG-JOCHJYFZSA-N 3 2 367.541 2.783 10 0 FFAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000192118913 509354383 /nfs/dbraw/zinc/35/43/83/509354383.db2.gz HFQVMKVGPRFAKG-JOCHJYFZSA-N 3 2 367.541 2.783 10 0 FFAELP CCC[C@H](C(=O)OCC)[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000248648127 509415316 /nfs/dbraw/zinc/41/53/16/509415316.db2.gz JJUYLYIHNQTCIN-JKSUJKDBSA-N 2 2 353.532 2.937 10 0 FFAELP CCC[C@H](C(=O)OCC)[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000248648127 509415323 /nfs/dbraw/zinc/41/53/23/509415323.db2.gz JJUYLYIHNQTCIN-JKSUJKDBSA-N 2 2 353.532 2.937 10 0 FFAELP CCC[C@H](C(=O)OCC)[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000248648127 509415327 /nfs/dbraw/zinc/41/53/27/509415327.db2.gz JJUYLYIHNQTCIN-JKSUJKDBSA-N 2 2 353.532 2.937 10 0 FFAELP CCC[C@H](C(=O)OCC)[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000248648127 509415332 /nfs/dbraw/zinc/41/53/32/509415332.db2.gz JJUYLYIHNQTCIN-JKSUJKDBSA-N 2 2 353.532 2.937 10 0 FFAELP CN(C)C(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248655307 509422194 /nfs/dbraw/zinc/42/21/94/509422194.db2.gz QKHIAJLJAPJNRT-FPOVZHCZSA-N 2 2 366.509 2.665 10 0 FFAELP CN(C)C(=O)[C@H](c1ccccc1)[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248655307 509422196 /nfs/dbraw/zinc/42/21/96/509422196.db2.gz QKHIAJLJAPJNRT-FPOVZHCZSA-N 2 2 366.509 2.665 10 0 FFAELP CN(C)C(=O)[C@H](c1ccccc1)[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248655307 509422201 /nfs/dbraw/zinc/42/22/01/509422201.db2.gz QKHIAJLJAPJNRT-FPOVZHCZSA-N 2 2 366.509 2.665 10 0 FFAELP CN(C)C(=O)[C@H](c1ccccc1)[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248655307 509422204 /nfs/dbraw/zinc/42/22/04/509422204.db2.gz QKHIAJLJAPJNRT-FPOVZHCZSA-N 2 2 366.509 2.665 10 0 FFAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@@H](O)CCc2ccccc2)C1 ZINC000248655602 509422526 /nfs/dbraw/zinc/42/25/26/509422526.db2.gz QOMKAMLAPODAGN-VXKWHMMOSA-N 2 2 353.510 2.829 10 0 FFAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@@H](O)CCc2ccccc2)C1 ZINC000248655602 509422529 /nfs/dbraw/zinc/42/25/29/509422529.db2.gz QOMKAMLAPODAGN-VXKWHMMOSA-N 2 2 353.510 2.829 10 0 FFAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](C[C@@H](O)CCc2ccccc2)C1 ZINC000248655602 509422532 /nfs/dbraw/zinc/42/25/32/509422532.db2.gz QOMKAMLAPODAGN-VXKWHMMOSA-N 2 2 353.510 2.829 10 0 FFAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](C[C@@H](O)CCc2ccccc2)C1 ZINC000248655602 509422535 /nfs/dbraw/zinc/42/25/35/509422535.db2.gz QOMKAMLAPODAGN-VXKWHMMOSA-N 2 2 353.510 2.829 10 0 FFAELP COc1ccc(C[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)cc1Cl ZINC000182887507 509478958 /nfs/dbraw/zinc/47/89/58/509478958.db2.gz DCPZEOARNPGRRW-KRWDZBQOSA-N 2 2 351.922 2.951 10 0 FFAELP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000180127266 509765487 /nfs/dbraw/zinc/76/54/87/509765487.db2.gz FITNQARJPMHCAT-GOSISDBHSA-N 2 2 373.501 2.621 10 0 FFAELP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000180127266 509765494 /nfs/dbraw/zinc/76/54/94/509765494.db2.gz FITNQARJPMHCAT-GOSISDBHSA-N 2 2 373.501 2.621 10 0 FFAELP Nc1ccc(F)c(NC(=O)CC[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000177034526 509828869 /nfs/dbraw/zinc/82/88/69/509828869.db2.gz ZKDCJTCYOIYELQ-CQSZACIVSA-N 2 2 357.433 2.566 10 0 FFAELP Nc1ccc(F)c(NC(=O)CC[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000177034526 509828876 /nfs/dbraw/zinc/82/88/76/509828876.db2.gz ZKDCJTCYOIYELQ-CQSZACIVSA-N 2 2 357.433 2.566 10 0 FFAELP C[C@@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171646580 510275211 /nfs/dbraw/zinc/27/52/11/510275211.db2.gz NXIMVZXPUBTMLU-PKOBYXMFSA-N 2 2 352.482 2.863 10 0 FFAELP C[C@@H](C(=O)N(C)Cc1ccccc1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171646580 510275223 /nfs/dbraw/zinc/27/52/23/510275223.db2.gz NXIMVZXPUBTMLU-PKOBYXMFSA-N 2 2 352.482 2.863 10 0 FFAELP C[NH+]1CCN([C@@H]2CCCC[N@H+](Cc3ccn(-c4ccc(F)cc4)n3)C2)CC1 ZINC000174878583 510361288 /nfs/dbraw/zinc/36/12/88/510361288.db2.gz CUDUMAHVMWFHKR-OAQYLSRUSA-N 2 2 371.504 2.613 10 0 FFAELP C[NH+]1CCN([C@@H]2CCCC[N@@H+](Cc3ccn(-c4ccc(F)cc4)n3)C2)CC1 ZINC000174878583 510361292 /nfs/dbraw/zinc/36/12/92/510361292.db2.gz CUDUMAHVMWFHKR-OAQYLSRUSA-N 2 2 371.504 2.613 10 0 FFAELP CCc1cccc(C)c1NC(=O)C[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000174887916 510367308 /nfs/dbraw/zinc/36/73/08/510367308.db2.gz HIVTZXMTCZOLGC-HXUWFJFHSA-N 2 2 372.557 2.598 10 0 FFAELP CCc1cccc(C)c1NC(=O)C[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000174887916 510367313 /nfs/dbraw/zinc/36/73/13/510367313.db2.gz HIVTZXMTCZOLGC-HXUWFJFHSA-N 2 2 372.557 2.598 10 0 FFAELP O=c1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c2ccc(O)cc2o1 ZINC000246278956 510403147 /nfs/dbraw/zinc/40/31/47/510403147.db2.gz ATZFMRXLTXJTFM-IFXJQAMLSA-N 2 2 354.450 2.947 10 0 FFAELP O=c1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c2ccc(O)cc2o1 ZINC000246278956 510403153 /nfs/dbraw/zinc/40/31/53/510403153.db2.gz ATZFMRXLTXJTFM-IFXJQAMLSA-N 2 2 354.450 2.947 10 0 FFAELP CCO[C@@H]1C[C@@H]([NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)C12CCCC2 ZINC000181477423 510431050 /nfs/dbraw/zinc/43/10/50/510431050.db2.gz ZFWLPRGPZBYESE-PWRODBHTSA-N 2 2 358.526 2.733 10 0 FFAELP CCO[C@@H]1C[C@@H]([NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)C12CCCC2 ZINC000181477423 510431056 /nfs/dbraw/zinc/43/10/56/510431056.db2.gz ZFWLPRGPZBYESE-PWRODBHTSA-N 2 2 358.526 2.733 10 0 FFAELP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2ccc(N(C)C(C)C)nc2)nc[nH+]1 ZINC000190971869 510442017 /nfs/dbraw/zinc/44/20/17/510442017.db2.gz JLBVHQSJOARCAJ-QGZVFWFLSA-N 2 2 369.517 2.517 10 0 FFAELP Cc1ccc2c(c1)[C@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)[C@@H](C)C2 ZINC000181677581 510536196 /nfs/dbraw/zinc/53/61/96/510536196.db2.gz GCEAANLZVFSYKK-OXJNMPFZSA-N 2 2 358.530 2.554 10 0 FFAELP COc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178322876 510546055 /nfs/dbraw/zinc/54/60/55/510546055.db2.gz BOSGWRUDMKZTKX-OAHLLOKOSA-N 2 2 362.861 2.957 10 0 FFAELP COc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178322876 510546061 /nfs/dbraw/zinc/54/60/61/510546061.db2.gz BOSGWRUDMKZTKX-OAHLLOKOSA-N 2 2 362.861 2.957 10 0 FFAELP Cc1ccc(N2CCC(NC(=O)N(CC[NH+](C)C)CC(C)C)CC2)[nH+]c1 ZINC000175276983 510566258 /nfs/dbraw/zinc/56/62/58/510566258.db2.gz LSTUPJQTZOUOSM-UHFFFAOYSA-N 2 2 361.534 2.588 10 0 FFAELP CC[C@@H]1CN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC[N@@H+]1C[C@H](C)O ZINC000246676881 510612174 /nfs/dbraw/zinc/61/21/74/510612174.db2.gz AQXLPFAKEZJIGE-FUHWJXTLSA-N 2 2 369.465 2.791 10 0 FFAELP CC[C@@H]1CN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC[N@H+]1C[C@H](C)O ZINC000246676881 510612178 /nfs/dbraw/zinc/61/21/78/510612178.db2.gz AQXLPFAKEZJIGE-FUHWJXTLSA-N 2 2 369.465 2.791 10 0 FFAELP COc1ccc([C@@H]2CCCN2C(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000246742365 510646918 /nfs/dbraw/zinc/64/69/18/510646918.db2.gz MUOGJIKLAIOQAO-KPFFTGBYSA-N 2 2 359.514 2.773 10 0 FFAELP COc1ccc([C@@H]2CCCN2C(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000246742365 510646931 /nfs/dbraw/zinc/64/69/31/510646931.db2.gz MUOGJIKLAIOQAO-KPFFTGBYSA-N 2 2 359.514 2.773 10 0 FFAELP COc1ccc([C@@H]2CCCN2C(=O)C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000246742365 510646940 /nfs/dbraw/zinc/64/69/40/510646940.db2.gz MUOGJIKLAIOQAO-KPFFTGBYSA-N 2 2 359.514 2.773 10 0 FFAELP COc1ccc([C@@H]2CCCN2C(=O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000246742365 510646947 /nfs/dbraw/zinc/64/69/47/510646947.db2.gz MUOGJIKLAIOQAO-KPFFTGBYSA-N 2 2 359.514 2.773 10 0 FFAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H](c2[nH+]ccn2C)c2cccc(F)c2)C1 ZINC000246818609 510691440 /nfs/dbraw/zinc/69/14/40/510691440.db2.gz DKRMFSACNIQPSR-FHLIZLRMSA-N 2 2 373.476 2.677 10 0 FFAELP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H](c2[nH+]ccn2C)c2cccc(F)c2)C1 ZINC000246818609 510691442 /nfs/dbraw/zinc/69/14/42/510691442.db2.gz DKRMFSACNIQPSR-FHLIZLRMSA-N 2 2 373.476 2.677 10 0 FFAELP O[C@@H](C[NH2+][C@H]1CCCOc2ccccc21)C[N@@H+]1CCc2ccccc2C1 ZINC000246924595 510747645 /nfs/dbraw/zinc/74/76/45/510747645.db2.gz GWYGEMWDTCGOSF-FPOVZHCZSA-N 2 2 352.478 2.909 10 0 FFAELP O[C@@H](C[NH2+][C@H]1CCCOc2ccccc21)C[N@H+]1CCc2ccccc2C1 ZINC000246924595 510747650 /nfs/dbraw/zinc/74/76/50/510747650.db2.gz GWYGEMWDTCGOSF-FPOVZHCZSA-N 2 2 352.478 2.909 10 0 FFAELP COc1ccc([C@@H]2CCCN2C(=O)C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000247171067 510848660 /nfs/dbraw/zinc/84/86/60/510848660.db2.gz YNYNUIHJMSMEOW-PXNSSMCTSA-N 2 2 359.514 2.632 10 0 FFAELP COc1ccc([C@@H]2CCCN2C(=O)C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000247171067 510848662 /nfs/dbraw/zinc/84/86/62/510848662.db2.gz YNYNUIHJMSMEOW-PXNSSMCTSA-N 2 2 359.514 2.632 10 0 FFAELP COc1ccc([C@@H]2CCCN2C(=O)C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000247171067 510848663 /nfs/dbraw/zinc/84/86/63/510848663.db2.gz YNYNUIHJMSMEOW-PXNSSMCTSA-N 2 2 359.514 2.632 10 0 FFAELP COc1ccc([C@@H]2CCCN2C(=O)C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000247171067 510848665 /nfs/dbraw/zinc/84/86/65/510848665.db2.gz YNYNUIHJMSMEOW-PXNSSMCTSA-N 2 2 359.514 2.632 10 0 FFAELP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCc2ccc(N3CCC(C)CC3)[nH+]c2)C1 ZINC000247482650 510862457 /nfs/dbraw/zinc/86/24/57/510862457.db2.gz WFTLDMBQSZHWAV-IEBWSBKVSA-N 2 2 373.545 2.846 10 0 FFAELP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NCc2ccc(N3CCC(C)CC3)[nH+]c2)C1 ZINC000247482650 510862458 /nfs/dbraw/zinc/86/24/58/510862458.db2.gz WFTLDMBQSZHWAV-IEBWSBKVSA-N 2 2 373.545 2.846 10 0 FFAELP C[C@H]1CC[N@H+](Cc2nc(-c3ccc4c(c3)OCO4)no2)C[C@H]1n1cc[nH+]c1 ZINC000247798450 510870599 /nfs/dbraw/zinc/87/05/99/510870599.db2.gz ZXSJEOXTDHWDMH-DZGCQCFKSA-N 2 2 367.409 2.745 10 0 FFAELP C[C@H]1CC[N@@H+](Cc2nc(-c3ccc4c(c3)OCO4)no2)C[C@H]1n1cc[nH+]c1 ZINC000247798450 510870600 /nfs/dbraw/zinc/87/06/00/510870600.db2.gz ZXSJEOXTDHWDMH-DZGCQCFKSA-N 2 2 367.409 2.745 10 0 FFAELP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000332895206 511141375 /nfs/dbraw/zinc/14/13/75/511141375.db2.gz IDOWQPAUVYZYEG-OWCLPIDISA-N 2 2 361.534 2.523 10 0 FFAELP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000332895206 511141380 /nfs/dbraw/zinc/14/13/80/511141380.db2.gz IDOWQPAUVYZYEG-OWCLPIDISA-N 2 2 361.534 2.523 10 0 FFAELP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)nc[nH+]1 ZINC000333573969 511289280 /nfs/dbraw/zinc/28/92/80/511289280.db2.gz SHVWVBKBMDICSP-NEHHDPPZSA-N 2 2 359.518 2.656 10 0 FFAELP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)[nH+]cn1 ZINC000333573969 511289285 /nfs/dbraw/zinc/28/92/85/511289285.db2.gz SHVWVBKBMDICSP-NEHHDPPZSA-N 2 2 359.518 2.656 10 0 FFAELP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(Br)cc1O ZINC000185115559 729341922 /nfs/dbraw/zinc/34/19/22/729341922.db2.gz DYUGZSAVVDSINR-OCCSQVGLSA-N 2 2 357.292 2.652 10 0 FFAELP COc1cc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc2c1OCCO2 ZINC000092812560 250003685 /nfs/dbraw/zinc/00/36/85/250003685.db2.gz CYYHRMPUXQYVSO-OAHLLOKOSA-N 2 2 355.438 2.795 10 0 FFAELP COc1cc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc2c1OCCO2 ZINC000092812560 250003692 /nfs/dbraw/zinc/00/36/92/250003692.db2.gz CYYHRMPUXQYVSO-OAHLLOKOSA-N 2 2 355.438 2.795 10 0 FFAELP CC(=O)c1ccc(NC(=O)[C@H](C)[NH+]2CCC(Cc3[nH+]ccn3C)CC2)cc1 ZINC000106164728 250246383 /nfs/dbraw/zinc/24/63/83/250246383.db2.gz KLSIZOBMEWBVNW-HNNXBMFYSA-N 2 2 368.481 2.904 10 0 FFAELP Cc1c(O)ccc2c(C[NH+]3CCC(Cc4[nH+]ccn4C)CC3)cc(=O)oc12 ZINC000106165632 250246445 /nfs/dbraw/zinc/24/64/45/250246445.db2.gz CILXSKWAIMIOFM-UHFFFAOYSA-N 2 2 367.449 2.995 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NCc2ccccc2OC)C1 ZINC000106215217 250256709 /nfs/dbraw/zinc/25/67/09/250256709.db2.gz SYDFUEZTOAXSPT-WMZOPIPTSA-N 2 2 370.497 2.796 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)NCc2ccccc2OC)C1 ZINC000106215217 250256714 /nfs/dbraw/zinc/25/67/14/250256714.db2.gz SYDFUEZTOAXSPT-WMZOPIPTSA-N 2 2 370.497 2.796 10 0 FFAELP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000175507563 251220749 /nfs/dbraw/zinc/22/07/49/251220749.db2.gz NONILSWZTORHOW-LJQANCHMSA-N 2 2 369.513 2.752 10 0 FFAELP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000175507563 251220753 /nfs/dbraw/zinc/22/07/53/251220753.db2.gz NONILSWZTORHOW-LJQANCHMSA-N 2 2 369.513 2.752 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCS(=O)(=O)c2ccc(F)cc2)C1 ZINC000192577627 251291555 /nfs/dbraw/zinc/29/15/55/251291555.db2.gz KIGFCKWZRSUXOZ-MRXNPFEDSA-N 2 2 365.474 2.695 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc(F)cc2)C1 ZINC000192577627 251291557 /nfs/dbraw/zinc/29/15/57/251291557.db2.gz KIGFCKWZRSUXOZ-MRXNPFEDSA-N 2 2 365.474 2.695 10 0 FFAELP C[C@@H]1CCC[C@@](CNc2cc(N3CCCC[C@@H]3CO)[nH+]cn2)([NH+](C)C)C1 ZINC000302887950 258114030 /nfs/dbraw/zinc/11/40/30/258114030.db2.gz MHSBZIBKPBRQLI-MBOZVWFJSA-N 2 2 361.534 2.750 10 0 FFAELP C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc3c(c2)C[NH+](CC(N)=O)CC3)CC[N@@H+]1C ZINC000333037267 258246196 /nfs/dbraw/zinc/24/61/96/258246196.db2.gz NSBHUTYDJXQLMS-KDOFPFPSSA-N 2 2 373.501 2.526 10 0 FFAELP C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc3c(c2)C[NH+](CC(N)=O)CC3)CC[N@H+]1C ZINC000333037267 258246197 /nfs/dbraw/zinc/24/61/97/258246197.db2.gz NSBHUTYDJXQLMS-KDOFPFPSSA-N 2 2 373.501 2.526 10 0 FFAELP C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)CC[NH+]1C ZINC000333037267 258246198 /nfs/dbraw/zinc/24/61/98/258246198.db2.gz NSBHUTYDJXQLMS-KDOFPFPSSA-N 2 2 373.501 2.526 10 0 FFAELP C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)CC[NH+]1C ZINC000333037267 258246199 /nfs/dbraw/zinc/24/61/99/258246199.db2.gz NSBHUTYDJXQLMS-KDOFPFPSSA-N 2 2 373.501 2.526 10 0 FFAELP C[C@@H]1CCN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)[C@@H](C[NH3+])C1 ZINC000333179671 258254468 /nfs/dbraw/zinc/25/44/68/258254468.db2.gz RQWKFYOLJOIJRO-UKRRQHHQSA-N 2 2 351.520 2.720 10 0 FFAELP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC4(CC[NH2+]4)CC3)n2)C1 ZINC000333228456 258257213 /nfs/dbraw/zinc/25/72/13/258257213.db2.gz BKJDKCSKWGMHOZ-AWEZNQCLSA-N 2 2 363.531 2.735 10 0 FFAELP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC4(CC[NH2+]4)CC3)n2)C1 ZINC000333228456 258257214 /nfs/dbraw/zinc/25/72/14/258257214.db2.gz BKJDKCSKWGMHOZ-AWEZNQCLSA-N 2 2 363.531 2.735 10 0 FFAELP CC(C)CNC(=O)c1cccc(C[NH+]2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)c1 ZINC000067227158 506795811 /nfs/dbraw/zinc/79/58/11/506795811.db2.gz JYQBLCAJHPXTJQ-SFHVURJKSA-N 2 2 373.541 2.758 10 0 FFAELP CC(C)CNC(=O)c1cccc(C[NH+]2CCC([N@H+]3CCO[C@@H](C)C3)CC2)c1 ZINC000067227158 506795819 /nfs/dbraw/zinc/79/58/19/506795819.db2.gz JYQBLCAJHPXTJQ-SFHVURJKSA-N 2 2 373.541 2.758 10 0 FFAELP Cc1[nH+]c2ccccc2n1CCNC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000048172771 507470497 /nfs/dbraw/zinc/47/04/97/507470497.db2.gz ZJECHSQVUIKYCA-IBGZPJMESA-N 2 2 365.481 2.947 10 0 FFAELP C[C@H](CNC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1)C[NH+]1CCCC1 ZINC000073774290 507954025 /nfs/dbraw/zinc/95/40/25/507954025.db2.gz LXHZMXRVCMMGCU-IAGOWNOFSA-N 2 2 355.486 2.964 10 0 FFAELP Cc1ccc2c(C[NH+]3CCN(C[C@H]4CCCC[N@H+]4C)CC3)cc(=O)oc2c1 ZINC000109750888 507984101 /nfs/dbraw/zinc/98/41/01/507984101.db2.gz ZHQJIGAGNYPRKT-LJQANCHMSA-N 2 2 369.509 2.703 10 0 FFAELP Cc1ccc2c(C[NH+]3CCN(C[C@H]4CCCC[N@@H+]4C)CC3)cc(=O)oc2c1 ZINC000109750888 507984102 /nfs/dbraw/zinc/98/41/02/507984102.db2.gz ZHQJIGAGNYPRKT-LJQANCHMSA-N 2 2 369.509 2.703 10 0 FFAELP CCc1nc(C[N@H+](C)CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)no1 ZINC000111228421 508079458 /nfs/dbraw/zinc/07/94/58/508079458.db2.gz AXUHBIHYFYJTQB-SFHVURJKSA-N 2 2 358.486 2.509 10 0 FFAELP CCc1nc(C[N@@H+](C)CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)no1 ZINC000111228421 508079461 /nfs/dbraw/zinc/07/94/61/508079461.db2.gz AXUHBIHYFYJTQB-SFHVURJKSA-N 2 2 358.486 2.509 10 0 FFAELP C[C@@H](C(=O)NCCc1cccs1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000114717174 508340713 /nfs/dbraw/zinc/34/07/13/508340713.db2.gz RYFOKSJQUPWEJK-JKSUJKDBSA-N 2 2 358.511 2.624 10 0 FFAELP C[C@@H](C(=O)NCCc1cccs1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000114717174 508340716 /nfs/dbraw/zinc/34/07/16/508340716.db2.gz RYFOKSJQUPWEJK-JKSUJKDBSA-N 2 2 358.511 2.624 10 0 FFAELP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2cc(F)cc3cccnc32)nc[nH+]1 ZINC000133037653 509107919 /nfs/dbraw/zinc/10/79/19/509107919.db2.gz IPWKAENTWOWZLN-KRWDZBQOSA-N 2 2 366.444 2.964 10 0 FFAELP C[N@H+]1CC[C@@H](NC(=O)N2CCC(n3cc[nH+]c3)CC2)[C@H]1c1ccccc1 ZINC000248044228 509222712 /nfs/dbraw/zinc/22/27/12/509222712.db2.gz MQWSMKHPBXGOAA-RTBURBONSA-N 2 2 353.470 2.675 10 0 FFAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+]([C@H]3CCc4ccc(F)cc43)CC2)C1 ZINC000248358375 509275553 /nfs/dbraw/zinc/27/55/53/509275553.db2.gz QSFSQIQCPMJELO-CTNGQTDRSA-N 2 2 361.505 2.540 10 0 FFAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+]([C@H]3CCc4ccc(F)cc43)CC2)C1 ZINC000248358375 509275568 /nfs/dbraw/zinc/27/55/68/509275568.db2.gz QSFSQIQCPMJELO-CTNGQTDRSA-N 2 2 361.505 2.540 10 0 FFAELP C[C@H](C(=O)NC1CCCCC1)[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248637164 509406735 /nfs/dbraw/zinc/40/67/35/509406735.db2.gz AALDEZNBBFMHSQ-MJGOQNOKSA-N 2 2 358.530 2.673 10 0 FFAELP C[C@H](C(=O)NC1CCCCC1)[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248637164 509406737 /nfs/dbraw/zinc/40/67/37/509406737.db2.gz AALDEZNBBFMHSQ-MJGOQNOKSA-N 2 2 358.530 2.673 10 0 FFAELP C[C@H](C(=O)NC1CCCCC1)[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248637164 509406743 /nfs/dbraw/zinc/40/67/43/509406743.db2.gz AALDEZNBBFMHSQ-MJGOQNOKSA-N 2 2 358.530 2.673 10 0 FFAELP C[C@H](C(=O)NC1CCCCC1)[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248637164 509406747 /nfs/dbraw/zinc/40/67/47/509406747.db2.gz AALDEZNBBFMHSQ-MJGOQNOKSA-N 2 2 358.530 2.673 10 0 FFAELP C[C@@H]1CCC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)[C@@H]1C ZINC000248659532 509424035 /nfs/dbraw/zinc/42/40/35/509424035.db2.gz VIMLALAYHZILLO-QCFAMHMHSA-N 2 2 372.557 2.776 10 0 FFAELP C[C@@H]1CCC[C@H](NC(=O)C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)[C@@H]1C ZINC000248659532 509424038 /nfs/dbraw/zinc/42/40/38/509424038.db2.gz VIMLALAYHZILLO-QCFAMHMHSA-N 2 2 372.557 2.776 10 0 FFAELP C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)[C@@H]1C ZINC000248659532 509424042 /nfs/dbraw/zinc/42/40/42/509424042.db2.gz VIMLALAYHZILLO-QCFAMHMHSA-N 2 2 372.557 2.776 10 0 FFAELP C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)[C@@H]1C ZINC000248659532 509424043 /nfs/dbraw/zinc/42/40/43/509424043.db2.gz VIMLALAYHZILLO-QCFAMHMHSA-N 2 2 372.557 2.776 10 0 FFAELP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@H]2CCCc3cc(F)ccc32)CC1 ZINC000163930314 509443287 /nfs/dbraw/zinc/44/32/87/509443287.db2.gz JDWWSGCOQHXNNS-IBGZPJMESA-N 2 2 362.493 2.528 10 0 FFAELP CCN(C(=O)[C@H]1CCCn2cc[nH+]c21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000248737232 509460637 /nfs/dbraw/zinc/46/06/37/509460637.db2.gz PEGGQHQMDRSHOJ-MOPGFXCFSA-N 2 2 352.482 2.884 10 0 FFAELP CCN(C(=O)[C@H]1CCCn2cc[nH+]c21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000248737232 509460647 /nfs/dbraw/zinc/46/06/47/509460647.db2.gz PEGGQHQMDRSHOJ-MOPGFXCFSA-N 2 2 352.482 2.884 10 0 FFAELP CCN(C(=O)[C@@H](C)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000182889522 509478469 /nfs/dbraw/zinc/47/84/69/509478469.db2.gz IEURDGLORZFRLA-CTNGQTDRSA-N 2 2 372.557 2.530 10 0 FFAELP CC(C)c1ccccc1NC(=O)C[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000182903074 509486661 /nfs/dbraw/zinc/48/66/61/509486661.db2.gz YOJSMWMGXZFOGI-IBGZPJMESA-N 2 2 372.557 2.850 10 0 FFAELP CC(C)c1ccccc1NC(=O)C[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000182903074 509486670 /nfs/dbraw/zinc/48/66/70/509486670.db2.gz YOJSMWMGXZFOGI-IBGZPJMESA-N 2 2 372.557 2.850 10 0 FFAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1c[nH]nc1-c1ccccc1 ZINC000179510809 509487701 /nfs/dbraw/zinc/48/77/01/509487701.db2.gz KEYOYESAVPSQEP-UHFFFAOYSA-N 2 2 370.501 2.566 10 0 FFAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1c[nH]nc1-c1ccccc1 ZINC000179510809 509487709 /nfs/dbraw/zinc/48/77/09/509487709.db2.gz KEYOYESAVPSQEP-UHFFFAOYSA-N 2 2 370.501 2.566 10 0 FFAELP C[C@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)c1ccc(S(N)(=O)=O)cc1 ZINC000248915155 509544162 /nfs/dbraw/zinc/54/41/62/509544162.db2.gz VXXHVYVPWVMNNN-GQIGUUNPSA-N 2 2 373.522 2.505 10 0 FFAELP C[C@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc(S(N)(=O)=O)cc1 ZINC000248915155 509544171 /nfs/dbraw/zinc/54/41/71/509544171.db2.gz VXXHVYVPWVMNNN-GQIGUUNPSA-N 2 2 373.522 2.505 10 0 FFAELP COC(=O)[C@H](C)Oc1ccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1 ZINC000180132248 509770382 /nfs/dbraw/zinc/77/03/82/509770382.db2.gz YRMIKEOIHRDKFU-YJBOKZPZSA-N 2 2 357.454 2.796 10 0 FFAELP COC(=O)[C@H](C)Oc1ccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1 ZINC000180132248 509770383 /nfs/dbraw/zinc/77/03/83/509770383.db2.gz YRMIKEOIHRDKFU-YJBOKZPZSA-N 2 2 357.454 2.796 10 0 FFAELP Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245443676 509938363 /nfs/dbraw/zinc/93/83/63/509938363.db2.gz XJXFRDWBAYOBLX-VQTJNVASSA-N 2 2 372.557 2.732 10 0 FFAELP Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245443676 509938369 /nfs/dbraw/zinc/93/83/69/509938369.db2.gz XJXFRDWBAYOBLX-VQTJNVASSA-N 2 2 372.557 2.732 10 0 FFAELP C[N@@H+]1CC[C@H](C[NH2+]C2CCN(C(N)=O)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245585038 510022166 /nfs/dbraw/zinc/02/21/66/510022166.db2.gz IXPJUYYXZGCXSD-CXAGYDPISA-N 2 2 368.884 2.605 10 0 FFAELP C[N@H+]1CC[C@H](C[NH2+]C2CCN(C(N)=O)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245585038 510022175 /nfs/dbraw/zinc/02/21/75/510022175.db2.gz IXPJUYYXZGCXSD-CXAGYDPISA-N 2 2 368.884 2.605 10 0 FFAELP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)C1 ZINC000177403077 510037418 /nfs/dbraw/zinc/03/74/18/510037418.db2.gz LVVLSCLIFLWDCY-CEXWTWQISA-N 2 2 361.534 2.815 10 0 FFAELP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)C1 ZINC000177403077 510037425 /nfs/dbraw/zinc/03/74/25/510037425.db2.gz LVVLSCLIFLWDCY-CEXWTWQISA-N 2 2 361.534 2.815 10 0 FFAELP C[C@@H](CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)[N@@H+]1CCc2sccc2C1 ZINC000177415148 510046415 /nfs/dbraw/zinc/04/64/15/510046415.db2.gz LJYGALQESVALGP-DOTOQJQBSA-N 2 2 373.526 2.565 10 0 FFAELP C[C@@H](CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)[N@H+]1CCc2sccc2C1 ZINC000177415148 510046419 /nfs/dbraw/zinc/04/64/19/510046419.db2.gz LJYGALQESVALGP-DOTOQJQBSA-N 2 2 373.526 2.565 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCCS(=O)(=O)c1ccc(C)cc1 ZINC000180705170 510062925 /nfs/dbraw/zinc/06/29/25/510062925.db2.gz FNLSGHBQAIGFNU-GOSISDBHSA-N 2 2 361.511 2.828 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCCS(=O)(=O)c1ccc(C)cc1 ZINC000180705170 510062931 /nfs/dbraw/zinc/06/29/31/510062931.db2.gz FNLSGHBQAIGFNU-GOSISDBHSA-N 2 2 361.511 2.828 10 0 FFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCCS(=O)(=O)c1ccc(C)cc1 ZINC000180705193 510063699 /nfs/dbraw/zinc/06/36/99/510063699.db2.gz FNLSGHBQAIGFNU-SFHVURJKSA-N 2 2 361.511 2.828 10 0 FFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCCS(=O)(=O)c1ccc(C)cc1 ZINC000180705193 510063704 /nfs/dbraw/zinc/06/37/04/510063704.db2.gz FNLSGHBQAIGFNU-SFHVURJKSA-N 2 2 361.511 2.828 10 0 FFAELP C[NH+](C)[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000245674582 510075941 /nfs/dbraw/zinc/07/59/41/510075941.db2.gz FOVCSEIDWFEZLF-XOKHGSTOSA-N 2 2 368.884 2.570 10 0 FFAELP C[NH+](C)[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000245674582 510075943 /nfs/dbraw/zinc/07/59/43/510075943.db2.gz FOVCSEIDWFEZLF-XOKHGSTOSA-N 2 2 368.884 2.570 10 0 FFAELP CCOCc1ccc(CNC(=O)C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000245708329 510099388 /nfs/dbraw/zinc/09/93/88/510099388.db2.gz SJJXGECXBXGRLJ-XLIONFOSSA-N 2 2 370.497 2.619 10 0 FFAELP CCOCc1ccc(CNC(=O)C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000245708329 510099392 /nfs/dbraw/zinc/09/93/92/510099392.db2.gz SJJXGECXBXGRLJ-XLIONFOSSA-N 2 2 370.497 2.619 10 0 FFAELP O[C@@H](COc1cccc2[nH]ccc21)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000245771404 510138822 /nfs/dbraw/zinc/13/88/22/510138822.db2.gz MSVWCISLALZJJZ-DLBZAZTESA-N 2 2 366.465 2.737 10 0 FFAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCC[C@@H]3c3cnn(C)c3)c2cc1C ZINC000171411160 510142699 /nfs/dbraw/zinc/14/26/99/510142699.db2.gz HWILLNZNAGOVQG-PKOBYXMFSA-N 2 2 353.470 2.585 10 0 FFAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCC[C@@H]3c3cnn(C)c3)c2cc1C ZINC000171411160 510142703 /nfs/dbraw/zinc/14/27/03/510142703.db2.gz HWILLNZNAGOVQG-PKOBYXMFSA-N 2 2 353.470 2.585 10 0 FFAELP Cc1nc(C[N@H+]2CCCN(C(=O)C3CC[NH+](C(C)C)CC3)CC2)cs1 ZINC000174652347 510231037 /nfs/dbraw/zinc/23/10/37/510231037.db2.gz XYDRETMHHRQPPV-UHFFFAOYSA-N 2 2 364.559 2.606 10 0 FFAELP Cc1nc(C[N@@H+]2CCCN(C(=O)C3CC[NH+](C(C)C)CC3)CC2)cs1 ZINC000174652347 510231042 /nfs/dbraw/zinc/23/10/42/510231042.db2.gz XYDRETMHHRQPPV-UHFFFAOYSA-N 2 2 364.559 2.606 10 0 FFAELP C[C@H](CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C)[N@@H+]1CCc2sccc2C1 ZINC000171608359 510250774 /nfs/dbraw/zinc/25/07/74/510250774.db2.gz VFGDTIPPTGWMKU-VQIMIIECSA-N 2 2 371.550 2.784 10 0 FFAELP C[C@H](CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C)[N@H+]1CCc2sccc2C1 ZINC000171608359 510250781 /nfs/dbraw/zinc/25/07/81/510250781.db2.gz VFGDTIPPTGWMKU-VQIMIIECSA-N 2 2 371.550 2.784 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000171619107 510256232 /nfs/dbraw/zinc/25/62/32/510256232.db2.gz MCJHQXDXCDWQRA-RBUKOAKNSA-N 2 2 354.498 2.782 10 0 FFAELP Cc1cccc(NC[C@H]2CC[N@@H+]([C@@H](C)C(=O)NCc3cccs3)C2)[nH+]1 ZINC000171651041 510282858 /nfs/dbraw/zinc/28/28/58/510282858.db2.gz KPHLNXHMKMVBRH-JKSUJKDBSA-N 2 2 358.511 2.890 10 0 FFAELP Cc1cccc(NC[C@H]2CC[N@H+]([C@@H](C)C(=O)NCc3cccs3)C2)[nH+]1 ZINC000171651041 510282864 /nfs/dbraw/zinc/28/28/64/510282864.db2.gz KPHLNXHMKMVBRH-JKSUJKDBSA-N 2 2 358.511 2.890 10 0 FFAELP C[C@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246138743 510315112 /nfs/dbraw/zinc/31/51/12/510315112.db2.gz NJUBDFGXEXMKCO-CVEARBPZSA-N 2 2 370.522 2.850 10 0 FFAELP C[C@H](C(=O)N1CCc2sccc2C1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246138743 510315119 /nfs/dbraw/zinc/31/51/19/510315119.db2.gz NJUBDFGXEXMKCO-CVEARBPZSA-N 2 2 370.522 2.850 10 0 FFAELP CCCC[N@@H+]1CCOC[C@H]1C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000184428405 510320343 /nfs/dbraw/zinc/32/03/43/510320343.db2.gz KEJNCXHMPIDXIH-FQEVSTJZSA-N 2 2 372.513 2.642 10 0 FFAELP CCCC[N@H+]1CCOC[C@H]1C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000184428405 510320348 /nfs/dbraw/zinc/32/03/48/510320348.db2.gz KEJNCXHMPIDXIH-FQEVSTJZSA-N 2 2 372.513 2.642 10 0 FFAELP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)c1 ZINC000174889293 510369168 /nfs/dbraw/zinc/36/91/68/510369168.db2.gz RKFUOGDDASOUJU-PMACEKPBSA-N 2 2 372.557 2.732 10 0 FFAELP Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)c1 ZINC000174889293 510369174 /nfs/dbraw/zinc/36/91/74/510369174.db2.gz RKFUOGDDASOUJU-PMACEKPBSA-N 2 2 372.557 2.732 10 0 FFAELP CC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000181939722 510671143 /nfs/dbraw/zinc/67/11/43/510671143.db2.gz LWZKHNXXJBJYBK-ZHRRBRCNSA-N 2 2 367.493 2.715 10 0 FFAELP CC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000181939722 510671149 /nfs/dbraw/zinc/67/11/49/510671149.db2.gz LWZKHNXXJBJYBK-ZHRRBRCNSA-N 2 2 367.493 2.715 10 0 FFAELP CC[NH+](CC)[C@@H](C)CNC(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000175667189 510723046 /nfs/dbraw/zinc/72/30/46/510723046.db2.gz ZSJVRCPHBTVDKQ-KRWDZBQOSA-N 2 2 357.502 2.655 10 0 FFAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](CC(=O)NCc2ccccc2)C1 ZINC000195253023 510739398 /nfs/dbraw/zinc/73/93/98/510739398.db2.gz MFUSRFHAGJJJRX-GOSISDBHSA-N 2 2 372.538 2.522 10 0 FFAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](CC(=O)NCc2ccccc2)C1 ZINC000195253023 510739405 /nfs/dbraw/zinc/73/94/05/510739405.db2.gz MFUSRFHAGJJJRX-GOSISDBHSA-N 2 2 372.538 2.522 10 0 FFAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](CC(=O)NCc2ccccc2)C1 ZINC000195253023 510739410 /nfs/dbraw/zinc/73/94/10/510739410.db2.gz MFUSRFHAGJJJRX-GOSISDBHSA-N 2 2 372.538 2.522 10 0 FFAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NCc2ccccc2)C1 ZINC000195253023 510739418 /nfs/dbraw/zinc/73/94/18/510739418.db2.gz MFUSRFHAGJJJRX-GOSISDBHSA-N 2 2 372.538 2.522 10 0 FFAELP CCCC[C@H](C(=O)OC)[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195268149 510749262 /nfs/dbraw/zinc/74/92/62/510749262.db2.gz UBTALRBPACKGGI-HZPDHXFCSA-N 2 2 353.532 2.937 10 0 FFAELP CCCC[C@H](C(=O)OC)[N@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195268149 510749265 /nfs/dbraw/zinc/74/92/65/510749265.db2.gz UBTALRBPACKGGI-HZPDHXFCSA-N 2 2 353.532 2.937 10 0 FFAELP CCCC[C@H](C(=O)OC)[NH+]1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195268149 510749267 /nfs/dbraw/zinc/74/92/67/510749267.db2.gz UBTALRBPACKGGI-HZPDHXFCSA-N 2 2 353.532 2.937 10 0 FFAELP CCCC[C@H](C(=O)OC)[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195268149 510749270 /nfs/dbraw/zinc/74/92/70/510749270.db2.gz UBTALRBPACKGGI-HZPDHXFCSA-N 2 2 353.532 2.937 10 0 FFAELP CC(C)N(C(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1)C(C)C ZINC000195277754 510755591 /nfs/dbraw/zinc/75/55/91/510755591.db2.gz BIHAKXJFPBZQJM-UYAOXDASSA-N 2 2 360.546 2.869 10 0 FFAELP CC(C)N(C(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1)C(C)C ZINC000195277754 510755597 /nfs/dbraw/zinc/75/55/97/510755597.db2.gz BIHAKXJFPBZQJM-UYAOXDASSA-N 2 2 360.546 2.869 10 0 FFAELP CC(C)N(C(=O)[C@@H](C)[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1)C(C)C ZINC000195277754 510755609 /nfs/dbraw/zinc/75/56/09/510755609.db2.gz BIHAKXJFPBZQJM-UYAOXDASSA-N 2 2 360.546 2.869 10 0 FFAELP CC(C)N(C(=O)[C@@H](C)[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1)C(C)C ZINC000195277754 510755615 /nfs/dbraw/zinc/75/56/15/510755615.db2.gz BIHAKXJFPBZQJM-UYAOXDASSA-N 2 2 360.546 2.869 10 0 FFAELP C[C@@H](C(=O)NC1CCC(C)CC1)[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195280679 510757420 /nfs/dbraw/zinc/75/74/20/510757420.db2.gz LZCYYBXPRHEMJN-JLMIFGBASA-N 2 2 372.557 2.919 10 0 FFAELP C[C@@H](C(=O)NC1CCC(C)CC1)[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195280679 510757429 /nfs/dbraw/zinc/75/74/29/510757429.db2.gz LZCYYBXPRHEMJN-JLMIFGBASA-N 2 2 372.557 2.919 10 0 FFAELP C[C@@H](C(=O)NC1CCC(C)CC1)[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195280679 510757438 /nfs/dbraw/zinc/75/74/38/510757438.db2.gz LZCYYBXPRHEMJN-JLMIFGBASA-N 2 2 372.557 2.919 10 0 FFAELP C[C@@H](C(=O)NC1CCC(C)CC1)[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195280679 510757446 /nfs/dbraw/zinc/75/74/46/510757446.db2.gz LZCYYBXPRHEMJN-JLMIFGBASA-N 2 2 372.557 2.919 10 0 FFAELP CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195282226 510758901 /nfs/dbraw/zinc/75/89/01/510758901.db2.gz CAESTMNTWADKCP-WOJBJXKFSA-N 2 2 358.530 2.626 10 0 FFAELP CC[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195282226 510758906 /nfs/dbraw/zinc/75/89/06/510758906.db2.gz CAESTMNTWADKCP-WOJBJXKFSA-N 2 2 358.530 2.626 10 0 FFAELP CC[C@@H]1CCCCN1C(=O)C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195282226 510758907 /nfs/dbraw/zinc/75/89/07/510758907.db2.gz CAESTMNTWADKCP-WOJBJXKFSA-N 2 2 358.530 2.626 10 0 FFAELP CC[C@@H]1CCCCN1C(=O)C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195282226 510758910 /nfs/dbraw/zinc/75/89/10/510758910.db2.gz CAESTMNTWADKCP-WOJBJXKFSA-N 2 2 358.530 2.626 10 0 FFAELP COc1cc(NC(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc(OC)c1 ZINC000246964839 510773711 /nfs/dbraw/zinc/77/37/11/510773711.db2.gz VDIHZCQYKFMGIA-MGPUTAFESA-N 2 2 373.497 2.591 10 0 FFAELP COc1cc(NC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc(OC)c1 ZINC000246964839 510773714 /nfs/dbraw/zinc/77/37/14/510773714.db2.gz VDIHZCQYKFMGIA-MGPUTAFESA-N 2 2 373.497 2.591 10 0 FFAELP COc1cc(NC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc(OC)c1 ZINC000246964839 510773718 /nfs/dbraw/zinc/77/37/18/510773718.db2.gz VDIHZCQYKFMGIA-MGPUTAFESA-N 2 2 373.497 2.591 10 0 FFAELP CN(Cc1ccc(F)cc1)C(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247009185 510796829 /nfs/dbraw/zinc/79/68/29/510796829.db2.gz XIZMBNTZURNQTO-FXAWDEMLSA-N 2 2 359.489 2.733 10 0 FFAELP CN(Cc1ccc(F)cc1)C(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247009185 510796836 /nfs/dbraw/zinc/79/68/36/510796836.db2.gz XIZMBNTZURNQTO-FXAWDEMLSA-N 2 2 359.489 2.733 10 0 FFAELP CN(Cc1ccc(F)cc1)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000247009185 510796841 /nfs/dbraw/zinc/79/68/41/510796841.db2.gz XIZMBNTZURNQTO-FXAWDEMLSA-N 2 2 359.489 2.733 10 0 FFAELP CN(Cc1ccc(F)cc1)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000247009185 510796849 /nfs/dbraw/zinc/79/68/49/510796849.db2.gz XIZMBNTZURNQTO-FXAWDEMLSA-N 2 2 359.489 2.733 10 0 FFAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]C1CCN(c2ncccn2)CC1 ZINC000247177791 510849035 /nfs/dbraw/zinc/84/90/35/510849035.db2.gz VBIXBEZJZCWTAS-YLJYHZDGSA-N 2 2 351.498 2.556 10 0 FFAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]C1CCN(c2ncccn2)CC1 ZINC000247177791 510849038 /nfs/dbraw/zinc/84/90/38/510849038.db2.gz VBIXBEZJZCWTAS-YLJYHZDGSA-N 2 2 351.498 2.556 10 0 FFAELP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3c[nH]nc3-c3ccc4c(c3)OCCO4)CC[C@H]21 ZINC000247258066 510854428 /nfs/dbraw/zinc/85/44/28/510854428.db2.gz XMWFFIIIJFUJRA-SJLPKXTDSA-N 2 2 368.481 2.764 10 0 FFAELP C[N@H+]1CCC[C@@H]2C[NH+](Cc3c[nH]nc3-c3ccc4c(c3)OCCO4)CC[C@H]21 ZINC000247258066 510854429 /nfs/dbraw/zinc/85/44/29/510854429.db2.gz XMWFFIIIJFUJRA-SJLPKXTDSA-N 2 2 368.481 2.764 10 0 FFAELP C[NH+]1CCC[C@@H]2C[N@H+](Cc3c[nH]nc3-c3ccc4c(c3)OCCO4)CC[C@H]21 ZINC000247258066 510854430 /nfs/dbraw/zinc/85/44/30/510854430.db2.gz XMWFFIIIJFUJRA-SJLPKXTDSA-N 2 2 368.481 2.764 10 0 FFAELP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3c[nH]nc3-c3ccc4c(c3)OCCO4)CC[C@H]21 ZINC000247258066 510854431 /nfs/dbraw/zinc/85/44/31/510854431.db2.gz XMWFFIIIJFUJRA-SJLPKXTDSA-N 2 2 368.481 2.764 10 0 FFAELP O[C@H](C[NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1)COCc1ccco1 ZINC000379648088 512870288 /nfs/dbraw/zinc/87/02/88/512870288.db2.gz LXSDMCNFHXPLKP-WOJBJXKFSA-N 2 2 358.482 2.801 10 0 FFAELP O[C@H](C[NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1)COCc1ccco1 ZINC000379648088 512870291 /nfs/dbraw/zinc/87/02/91/512870291.db2.gz LXSDMCNFHXPLKP-WOJBJXKFSA-N 2 2 358.482 2.801 10 0 FFAELP C[NH+]1CCN(c2ncc(C[N@H+]3CC=C(c4cccs4)CC3)cn2)CC1 ZINC000093533784 250035381 /nfs/dbraw/zinc/03/53/81/250035381.db2.gz GRBNQXOGFNEUMR-UHFFFAOYSA-N 2 2 355.511 2.579 10 0 FFAELP C[NH+]1CCN(c2ncc(C[N@@H+]3CC=C(c4cccs4)CC3)cn2)CC1 ZINC000093533784 250035385 /nfs/dbraw/zinc/03/53/85/250035385.db2.gz GRBNQXOGFNEUMR-UHFFFAOYSA-N 2 2 355.511 2.579 10 0 FFAELP Cn1cc[nH+]c1CC1CC[NH+](Cc2cc(=O)oc3cc(O)ccc23)CC1 ZINC000106165904 250246318 /nfs/dbraw/zinc/24/63/18/250246318.db2.gz GMSOUGOSFJWYRE-UHFFFAOYSA-N 2 2 353.422 2.687 10 0 FFAELP Cc1cc(C)n(C[C@@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CCO2)n1 ZINC000106201677 250253004 /nfs/dbraw/zinc/25/30/04/250253004.db2.gz ZKGTYHLZXZEHCA-FQEVSTJZSA-N 2 2 351.454 2.587 10 0 FFAELP Cc1cc(C)n(C[C@@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CCO2)n1 ZINC000106201677 250253008 /nfs/dbraw/zinc/25/30/08/250253008.db2.gz ZKGTYHLZXZEHCA-FQEVSTJZSA-N 2 2 351.454 2.587 10 0 FFAELP Cc1[nH+]c(-c2ccncc2)nc(NC[C@@H](c2cnn(C)c2)[NH+](C)C)c1C ZINC000301299692 258040830 /nfs/dbraw/zinc/04/08/30/258040830.db2.gz UJYZCZSPGCNNFH-KRWDZBQOSA-N 2 2 351.458 2.604 10 0 FFAELP CC(C)c1nc(N2CCC[C@@H]([NH2+]Cc3ccccc3)C2)nc(N(C)C)[nH+]1 ZINC000301955036 258078251 /nfs/dbraw/zinc/07/82/51/258078251.db2.gz KOCAHVJJGCGHME-QGZVFWFLSA-N 2 2 354.502 2.820 10 0 FFAELP Cc1cn2c([nH+]1)[C@@H](CNC(=O)N1CCCC[C@H]([NH+]3CCCC3)C1)CCC2 ZINC000332715920 258241035 /nfs/dbraw/zinc/24/10/35/258241035.db2.gz RLPOOKIQTQBOMH-MSOLQXFVSA-N 2 2 359.518 2.729 10 0 FFAELP Cc1noc([C@@H](C)[NH+]2CCN(c3cc[nH+]cc3-c3cccnc3)CC2)n1 ZINC000366824282 512203760 /nfs/dbraw/zinc/20/37/60/512203760.db2.gz RYZPBISFXXDEEC-CQSZACIVSA-N 2 2 350.426 2.718 10 0 FFAELP C[NH+]1CCC([NH+]2CCC(NC(=O)/C=C/c3c(F)cccc3F)CC2)CC1 ZINC000050798221 507714260 /nfs/dbraw/zinc/71/42/60/507714260.db2.gz IWIRQJXNUJLBIS-AATRIKPKSA-N 2 2 363.452 2.653 10 0 FFAELP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000079104125 507933112 /nfs/dbraw/zinc/93/31/12/507933112.db2.gz ZNFMGVCHRBPWNE-AWEZNQCLSA-N 2 2 351.882 2.763 10 0 FFAELP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCCn2cc[nH+]c21)c1cccc(OC)c1 ZINC000080509840 508080237 /nfs/dbraw/zinc/08/02/37/508080237.db2.gz WOTVSZYUMPTBNP-OALUTQOASA-N 2 2 370.497 2.968 10 0 FFAELP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)[C@@H](Cc1ccccc1)[NH+](C)C)C2 ZINC000112725623 508215820 /nfs/dbraw/zinc/21/58/20/508215820.db2.gz YRBMLPBPPKXCRG-LJQANCHMSA-N 2 2 354.498 2.601 10 0 FFAELP Cc1ccc([C@H](C)NC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)o1 ZINC000122442611 508536272 /nfs/dbraw/zinc/53/62/72/508536272.db2.gz BVWQSWRTLUONCV-XNHLSEOASA-N 2 2 360.502 2.601 10 0 FFAELP Cc1ccc([C@H](C)NC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)o1 ZINC000122442611 508536275 /nfs/dbraw/zinc/53/62/75/508536275.db2.gz BVWQSWRTLUONCV-XNHLSEOASA-N 2 2 360.502 2.601 10 0 FFAELP CC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000154562562 508810778 /nfs/dbraw/zinc/81/07/78/508810778.db2.gz GXLUJIZCGQCIGD-LIRRHRJNSA-N 2 2 354.454 2.886 10 0 FFAELP CC(=O)c1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000154562562 508810781 /nfs/dbraw/zinc/81/07/81/508810781.db2.gz GXLUJIZCGQCIGD-LIRRHRJNSA-N 2 2 354.454 2.886 10 0 FFAELP CC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1 ZINC000154569661 508811498 /nfs/dbraw/zinc/81/14/98/508811498.db2.gz YSAWZANSYVLNQD-IFXJQAMLSA-N 2 2 354.454 2.886 10 0 FFAELP CC(=O)c1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1 ZINC000154569661 508811501 /nfs/dbraw/zinc/81/15/01/508811501.db2.gz YSAWZANSYVLNQD-IFXJQAMLSA-N 2 2 354.454 2.886 10 0 FFAELP C[N@H+](Cc1nc2cc(F)ccc2o1)C1CC[NH+](CCn2cccn2)CC1 ZINC000151063734 508949229 /nfs/dbraw/zinc/94/92/29/508949229.db2.gz UPKJEUYAHZLRTC-UHFFFAOYSA-N 2 2 357.433 2.760 10 0 FFAELP C[N@@H+](Cc1nc2cc(F)ccc2o1)C1CC[NH+](CCn2cccn2)CC1 ZINC000151063734 508949232 /nfs/dbraw/zinc/94/92/32/508949232.db2.gz UPKJEUYAHZLRTC-UHFFFAOYSA-N 2 2 357.433 2.760 10 0 FFAELP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)N(C)Cc3cccs3)C2)[nH+]1 ZINC000151114354 508960534 /nfs/dbraw/zinc/96/05/34/508960534.db2.gz BHQWCSSVBPUFMQ-MRXNPFEDSA-N 2 2 358.511 2.844 10 0 FFAELP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)N(C)Cc3cccs3)C2)[nH+]1 ZINC000151114354 508960538 /nfs/dbraw/zinc/96/05/38/508960538.db2.gz BHQWCSSVBPUFMQ-MRXNPFEDSA-N 2 2 358.511 2.844 10 0 FFAELP CC[NH+](CC)[C@@H](C)CNC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000125734500 509023059 /nfs/dbraw/zinc/02/30/59/509023059.db2.gz PPGMESNYEITANS-HOTGVXAUSA-N 2 2 352.548 2.867 10 0 FFAELP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000151597497 509050540 /nfs/dbraw/zinc/05/05/40/509050540.db2.gz AMPJRAGMSAXOHK-GOSISDBHSA-N 2 2 359.518 2.601 10 0 FFAELP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000151597497 509050544 /nfs/dbraw/zinc/05/05/44/509050544.db2.gz AMPJRAGMSAXOHK-GOSISDBHSA-N 2 2 359.518 2.601 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)C1 ZINC000151901394 509107033 /nfs/dbraw/zinc/10/70/33/509107033.db2.gz SVMDBCMSSPMEMC-CVEARBPZSA-N 2 2 359.474 2.688 10 0 FFAELP Cc1ccc2[nH+]c(CSCC(=O)N3CCC([NH+]4CCCC4)CC3)cn2c1 ZINC000121077965 509122842 /nfs/dbraw/zinc/12/28/42/509122842.db2.gz ICENIARYLIDSPE-UHFFFAOYSA-N 2 2 372.538 2.963 10 0 FFAELP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCN(c3cccnn3)C2)C1 ZINC000151985535 509124016 /nfs/dbraw/zinc/12/40/16/509124016.db2.gz OCKYLCMAMQYMNA-RLLQIKCJSA-N 2 2 351.498 2.871 10 0 FFAELP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(c3cccnn3)C2)C1 ZINC000151985535 509124020 /nfs/dbraw/zinc/12/40/20/509124020.db2.gz OCKYLCMAMQYMNA-RLLQIKCJSA-N 2 2 351.498 2.871 10 0 FFAELP C[NH+]1CCC(CNC(=O)[C@@]2(C)CC2(Cl)Cl)([NH+]2CCCCC2)CC1 ZINC000172755030 509216038 /nfs/dbraw/zinc/21/60/38/509216038.db2.gz VAFFZEDUMNNHGV-OAHLLOKOSA-N 2 2 362.345 2.637 10 0 FFAELP CN(Cc1c(F)cccc1Cl)C(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248216310 509261005 /nfs/dbraw/zinc/26/10/05/509261005.db2.gz ZSFGOEQYIDAIDK-KBXCAEBGSA-N 2 2 367.896 2.854 10 0 FFAELP CN(Cc1c(F)cccc1Cl)C(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248216310 509261011 /nfs/dbraw/zinc/26/10/11/509261011.db2.gz ZSFGOEQYIDAIDK-KBXCAEBGSA-N 2 2 367.896 2.854 10 0 FFAELP CN(Cc1c(F)cccc1Cl)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248216310 509261018 /nfs/dbraw/zinc/26/10/18/509261018.db2.gz ZSFGOEQYIDAIDK-KBXCAEBGSA-N 2 2 367.896 2.854 10 0 FFAELP CN(Cc1c(F)cccc1Cl)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248216310 509261027 /nfs/dbraw/zinc/26/10/27/509261027.db2.gz ZSFGOEQYIDAIDK-KBXCAEBGSA-N 2 2 367.896 2.854 10 0 FFAELP Cc1ccccc1OC[C@@H](O)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248642227 509411734 /nfs/dbraw/zinc/41/17/34/509411734.db2.gz CZIVHAKCNDVRJC-SFTDATJTSA-N 2 2 369.509 2.584 10 0 FFAELP Cc1ccccc1OC[C@@H](O)C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248642227 509411741 /nfs/dbraw/zinc/41/17/41/509411741.db2.gz CZIVHAKCNDVRJC-SFTDATJTSA-N 2 2 369.509 2.584 10 0 FFAELP Cc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248642227 509411746 /nfs/dbraw/zinc/41/17/46/509411746.db2.gz CZIVHAKCNDVRJC-SFTDATJTSA-N 2 2 369.509 2.584 10 0 FFAELP Cc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248642227 509411751 /nfs/dbraw/zinc/41/17/51/509411751.db2.gz CZIVHAKCNDVRJC-SFTDATJTSA-N 2 2 369.509 2.584 10 0 FFAELP O=S1(=O)CC[C@@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)c2ccccc21 ZINC000186128587 509535342 /nfs/dbraw/zinc/53/53/42/509535342.db2.gz TWQBIVIKWKBMAQ-QGZVFWFLSA-N 2 2 353.447 2.881 10 0 FFAELP C[C@@H](C[N@H+](C)Cc1ccccc1)Nc1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000249304134 509652080 /nfs/dbraw/zinc/65/20/80/509652080.db2.gz MQUFOPGQOWGPMO-HKUYNNGSSA-N 2 2 369.513 2.760 10 0 FFAELP C[C@@H](C[N@@H+](C)Cc1ccccc1)Nc1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000249304134 509652094 /nfs/dbraw/zinc/65/20/94/509652094.db2.gz MQUFOPGQOWGPMO-HKUYNNGSSA-N 2 2 369.513 2.760 10 0 FFAELP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000183616940 509889272 /nfs/dbraw/zinc/88/92/72/509889272.db2.gz NELQGKMPZJIQFN-MPGHIAIKSA-N 2 2 361.486 2.509 10 0 FFAELP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2C[N@H+](C(C)C)C[C@@H]2C)c1 ZINC000183616940 509889278 /nfs/dbraw/zinc/88/92/78/509889278.db2.gz NELQGKMPZJIQFN-MPGHIAIKSA-N 2 2 361.486 2.509 10 0 FFAELP CN1c2ccc(C[N@@H+]3CC[C@H](CNc4cccc[nH+]4)C3)cc2CCC1=O ZINC000186928361 509957120 /nfs/dbraw/zinc/95/71/20/509957120.db2.gz LFCNXUUBPIEEQZ-QGZVFWFLSA-N 2 2 350.466 2.925 10 0 FFAELP CN1c2ccc(C[N@H+]3CC[C@H](CNc4cccc[nH+]4)C3)cc2CCC1=O ZINC000186928361 509957122 /nfs/dbraw/zinc/95/71/22/509957122.db2.gz LFCNXUUBPIEEQZ-QGZVFWFLSA-N 2 2 350.466 2.925 10 0 FFAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2cccc3c2OCCO3)C1 ZINC000190472298 510151389 /nfs/dbraw/zinc/15/13/89/510151389.db2.gz IAWPVDSTOJARCU-GOSISDBHSA-N 2 2 353.466 2.807 10 0 FFAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2cccc3c2OCCO3)C1 ZINC000190472298 510151394 /nfs/dbraw/zinc/15/13/94/510151394.db2.gz IAWPVDSTOJARCU-GOSISDBHSA-N 2 2 353.466 2.807 10 0 FFAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](Cc2cccc3c2OCCO3)C1 ZINC000190472298 510151402 /nfs/dbraw/zinc/15/14/02/510151402.db2.gz IAWPVDSTOJARCU-GOSISDBHSA-N 2 2 353.466 2.807 10 0 FFAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](Cc2cccc3c2OCCO3)C1 ZINC000190472298 510151406 /nfs/dbraw/zinc/15/14/06/510151406.db2.gz IAWPVDSTOJARCU-GOSISDBHSA-N 2 2 353.466 2.807 10 0 FFAELP CC(=O)c1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000245945994 510221025 /nfs/dbraw/zinc/22/10/25/510221025.db2.gz NWOJZSPQHHGIBK-PBHICJAKSA-N 2 2 354.454 2.886 10 0 FFAELP CC(=O)c1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000245945994 510221032 /nfs/dbraw/zinc/22/10/32/510221032.db2.gz NWOJZSPQHHGIBK-PBHICJAKSA-N 2 2 354.454 2.886 10 0 FFAELP O=C(C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000171645278 510274545 /nfs/dbraw/zinc/27/45/45/510274545.db2.gz RNYGNDMBQXFFOV-QRVBRYPASA-N 2 2 356.514 2.997 10 0 FFAELP O=C(C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000171645278 510274546 /nfs/dbraw/zinc/27/45/46/510274546.db2.gz RNYGNDMBQXFFOV-QRVBRYPASA-N 2 2 356.514 2.997 10 0 FFAELP Cc1cccc(NC[C@H]2CC[N@H+](CCCS(=O)(=O)c3ccccc3)C2)[nH+]1 ZINC000171648781 510277393 /nfs/dbraw/zinc/27/73/93/510277393.db2.gz UZXYTQWDFFRZQM-GOSISDBHSA-N 2 2 373.522 2.988 10 0 FFAELP Cc1cccc(NC[C@H]2CC[N@@H+](CCCS(=O)(=O)c3ccccc3)C2)[nH+]1 ZINC000171648781 510277399 /nfs/dbraw/zinc/27/73/99/510277399.db2.gz UZXYTQWDFFRZQM-GOSISDBHSA-N 2 2 373.522 2.988 10 0 FFAELP C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246095681 510289607 /nfs/dbraw/zinc/28/96/07/510289607.db2.gz HBAYTPLKPVUGLE-CABCVRRESA-N 2 2 368.437 2.571 10 0 FFAELP C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246095681 510289613 /nfs/dbraw/zinc/28/96/13/510289613.db2.gz HBAYTPLKPVUGLE-CABCVRRESA-N 2 2 368.437 2.571 10 0 FFAELP Cc1cccc(NC[C@H]2CC[N@@H+]([C@H](C)C(=O)NCc3cccs3)C2)[nH+]1 ZINC000246118204 510303269 /nfs/dbraw/zinc/30/32/69/510303269.db2.gz KPHLNXHMKMVBRH-HZPDHXFCSA-N 2 2 358.511 2.890 10 0 FFAELP Cc1cccc(NC[C@H]2CC[N@H+]([C@H](C)C(=O)NCc3cccs3)C2)[nH+]1 ZINC000246118204 510303276 /nfs/dbraw/zinc/30/32/76/510303276.db2.gz KPHLNXHMKMVBRH-HZPDHXFCSA-N 2 2 358.511 2.890 10 0 FFAELP O=C(C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)N1CCC[C@H]2CCCC[C@H]21 ZINC000246166110 510332219 /nfs/dbraw/zinc/33/22/19/510332219.db2.gz RNYGNDMBQXFFOV-GUDVDZBRSA-N 2 2 356.514 2.997 10 0 FFAELP O=C(C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)N1CCC[C@H]2CCCC[C@H]21 ZINC000246166110 510332220 /nfs/dbraw/zinc/33/22/20/510332220.db2.gz RNYGNDMBQXFFOV-GUDVDZBRSA-N 2 2 356.514 2.997 10 0 FFAELP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000246482507 510513773 /nfs/dbraw/zinc/51/37/73/510513773.db2.gz XUTGRSKTDPEKNA-IRXDYDNUSA-N 2 2 369.469 2.663 10 0 FFAELP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000246482507 510513779 /nfs/dbraw/zinc/51/37/79/510513779.db2.gz XUTGRSKTDPEKNA-IRXDYDNUSA-N 2 2 369.469 2.663 10 0 FFAELP Cc1[nH+]c2ccccc2n1CC(=O)NC1CCN(c2cccc(C)[nH+]2)CC1 ZINC000172249118 510625728 /nfs/dbraw/zinc/62/57/28/510625728.db2.gz WKSZPLPOILRTHH-UHFFFAOYSA-N 2 2 363.465 2.833 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)c2nnnn2-c2ccccc2)C1 ZINC000246911774 510741929 /nfs/dbraw/zinc/74/19/29/510741929.db2.gz AFKSCYREEWVHOQ-WBVHZDCISA-N 2 2 351.458 2.819 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)c2nnnn2-c2ccccc2)C1 ZINC000246911774 510741934 /nfs/dbraw/zinc/74/19/34/510741934.db2.gz AFKSCYREEWVHOQ-WBVHZDCISA-N 2 2 351.458 2.819 10 0 FFAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N(C)c2ccccc2)C1 ZINC000195259226 510743366 /nfs/dbraw/zinc/74/33/66/510743366.db2.gz AQXZPIFCHACEJH-KRWDZBQOSA-N 2 2 372.538 2.868 10 0 FFAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N(C)c2ccccc2)C1 ZINC000195259226 510743369 /nfs/dbraw/zinc/74/33/69/510743369.db2.gz AQXZPIFCHACEJH-KRWDZBQOSA-N 2 2 372.538 2.868 10 0 FFAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N(C)c2ccccc2)C1 ZINC000195259226 510743374 /nfs/dbraw/zinc/74/33/74/510743374.db2.gz AQXZPIFCHACEJH-KRWDZBQOSA-N 2 2 372.538 2.868 10 0 FFAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N(C)c2ccccc2)C1 ZINC000195259226 510743377 /nfs/dbraw/zinc/74/33/77/510743377.db2.gz AQXZPIFCHACEJH-KRWDZBQOSA-N 2 2 372.538 2.868 10 0 FFAELP COC(=O)c1oc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)cc1C ZINC000195276735 510753863 /nfs/dbraw/zinc/75/38/63/510753863.db2.gz UNIBGEHFOVDJLW-QGZVFWFLSA-N 2 2 357.454 2.724 10 0 FFAELP COC(=O)c1oc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)cc1C ZINC000195276735 510753870 /nfs/dbraw/zinc/75/38/70/510753870.db2.gz UNIBGEHFOVDJLW-QGZVFWFLSA-N 2 2 357.454 2.724 10 0 FFAELP COC(=O)c1oc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)cc1C ZINC000195276735 510753877 /nfs/dbraw/zinc/75/38/77/510753877.db2.gz UNIBGEHFOVDJLW-QGZVFWFLSA-N 2 2 357.454 2.724 10 0 FFAELP COC(=O)c1oc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)cc1C ZINC000195276735 510753884 /nfs/dbraw/zinc/75/38/84/510753884.db2.gz UNIBGEHFOVDJLW-QGZVFWFLSA-N 2 2 357.454 2.724 10 0 FFAELP COC(=O)c1oc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)cc1C ZINC000195276755 510754172 /nfs/dbraw/zinc/75/41/72/510754172.db2.gz UNIBGEHFOVDJLW-KRWDZBQOSA-N 2 2 357.454 2.724 10 0 FFAELP COC(=O)c1oc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)cc1C ZINC000195276755 510754180 /nfs/dbraw/zinc/75/41/80/510754180.db2.gz UNIBGEHFOVDJLW-KRWDZBQOSA-N 2 2 357.454 2.724 10 0 FFAELP COC(=O)c1oc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)cc1C ZINC000195276755 510754192 /nfs/dbraw/zinc/75/41/92/510754192.db2.gz UNIBGEHFOVDJLW-KRWDZBQOSA-N 2 2 357.454 2.724 10 0 FFAELP COC(=O)c1oc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)cc1C ZINC000195276755 510754202 /nfs/dbraw/zinc/75/42/02/510754202.db2.gz UNIBGEHFOVDJLW-KRWDZBQOSA-N 2 2 357.454 2.724 10 0 FFAELP CC1CCC(N(C)C(=O)C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)CC1 ZINC000195294355 510766944 /nfs/dbraw/zinc/76/69/44/510766944.db2.gz NQJRVMMHRSDVSY-VEDCXYSMSA-N 2 2 372.557 2.872 10 0 FFAELP CC1CCC(N(C)C(=O)C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)CC1 ZINC000195294355 510766949 /nfs/dbraw/zinc/76/69/49/510766949.db2.gz NQJRVMMHRSDVSY-VEDCXYSMSA-N 2 2 372.557 2.872 10 0 FFAELP CC1CCC(N(C)C(=O)C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)CC1 ZINC000195294355 510766957 /nfs/dbraw/zinc/76/69/57/510766957.db2.gz NQJRVMMHRSDVSY-VEDCXYSMSA-N 2 2 372.557 2.872 10 0 FFAELP CC1CCC(N(C)C(=O)C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)CC1 ZINC000195294355 510766962 /nfs/dbraw/zinc/76/69/62/510766962.db2.gz NQJRVMMHRSDVSY-VEDCXYSMSA-N 2 2 372.557 2.872 10 0 FFAELP C[C@@H](C(=O)NC(=O)Nc1ccccc1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000247393820 510859572 /nfs/dbraw/zinc/85/95/72/510859572.db2.gz QKCBCESOLFZYMV-HOTGVXAUSA-N 2 2 367.453 2.552 10 0 FFAELP C[C@@H](C(=O)NC(=O)Nc1ccccc1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000247393820 510859573 /nfs/dbraw/zinc/85/95/73/510859573.db2.gz QKCBCESOLFZYMV-HOTGVXAUSA-N 2 2 367.453 2.552 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000247813886 510871162 /nfs/dbraw/zinc/87/11/62/510871162.db2.gz VSJZZZOAGYNTIN-GDBMZVCRSA-N 2 2 370.453 2.838 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000247813886 510871163 /nfs/dbraw/zinc/87/11/63/510871163.db2.gz VSJZZZOAGYNTIN-GDBMZVCRSA-N 2 2 370.453 2.838 10 0 FFAELP CCOC(=O)C1CCC(O)(C[NH2+][C@@H](C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000388556694 512897011 /nfs/dbraw/zinc/89/70/11/512897011.db2.gz YZKSENOSUYXEHR-OCDPCBSRSA-N 2 2 362.514 2.581 10 0 FFAELP CCOC(=O)C1CCC(O)(C[NH2+][C@@H](C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000388556694 512897012 /nfs/dbraw/zinc/89/70/12/512897012.db2.gz YZKSENOSUYXEHR-OCDPCBSRSA-N 2 2 362.514 2.581 10 0 FFAELP CCC[NH+]1CCC(CNC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000102003865 1004990553 /nfs/dbraw/zinc/99/05/53/1004990553.db2.gz NFQZRZNKNDZIQO-UHFFFAOYSA-N 2 2 355.486 2.794 10 0 FFAELP COc1ccc(CC[N@H+](C)[C@H]2CCCN(Cc3c[nH+]c(C)[nH]3)C2)cc1OC ZINC000019228085 211209995 /nfs/dbraw/zinc/20/99/95/211209995.db2.gz MZBVIAAVHXRPNU-IBGZPJMESA-N 2 2 372.513 2.874 10 0 FFAELP COc1ccc(CC[N@@H+](C)[C@H]2CCCN(Cc3c[nH+]c(C)[nH]3)C2)cc1OC ZINC000019228085 211209996 /nfs/dbraw/zinc/20/99/96/211209996.db2.gz MZBVIAAVHXRPNU-IBGZPJMESA-N 2 2 372.513 2.874 10 0 FFAELP COc1ccc(CC[N@H+](C)[C@H]2CCCN(Cc3c[nH]c(C)[nH+]3)C2)cc1OC ZINC000019228085 211210003 /nfs/dbraw/zinc/21/00/03/211210003.db2.gz MZBVIAAVHXRPNU-IBGZPJMESA-N 2 2 372.513 2.874 10 0 FFAELP COc1ccc(CC[N@@H+](C)[C@H]2CCCN(Cc3c[nH]c(C)[nH+]3)C2)cc1OC ZINC000019228085 211210008 /nfs/dbraw/zinc/21/00/08/211210008.db2.gz MZBVIAAVHXRPNU-IBGZPJMESA-N 2 2 372.513 2.874 10 0 FFAELP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(CSC(F)F)o3)C2)CC1 ZINC000093133244 250018094 /nfs/dbraw/zinc/01/80/94/250018094.db2.gz SMGDRPOVVXJTIN-CQSZACIVSA-N 2 2 359.486 2.947 10 0 FFAELP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(CSC(F)F)o3)C2)CC1 ZINC000093133244 250018098 /nfs/dbraw/zinc/01/80/98/250018098.db2.gz SMGDRPOVVXJTIN-CQSZACIVSA-N 2 2 359.486 2.947 10 0 FFAELP C[C@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000106165731 250246576 /nfs/dbraw/zinc/24/65/76/250246576.db2.gz PXSNWBBOGNPFAJ-CQSZACIVSA-N 2 2 351.454 2.672 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)N2CCc3sccc3C2)C1 ZINC000106214248 250256547 /nfs/dbraw/zinc/25/65/47/250256547.db2.gz LWFIYPKJSDISCM-INIZCTEOSA-N 2 2 358.511 2.729 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)N2CCc3sccc3C2)C1 ZINC000106214248 250256552 /nfs/dbraw/zinc/25/65/52/250256552.db2.gz LWFIYPKJSDISCM-INIZCTEOSA-N 2 2 358.511 2.729 10 0 FFAELP CC[N@@H+]1CCc2nc(NC(=O)[C@@H](Cc3ccccc3)[NH+](C)C)sc2C1 ZINC000106903643 250297982 /nfs/dbraw/zinc/29/79/82/250297982.db2.gz OSCRDFWKIUIBQI-MRXNPFEDSA-N 2 2 358.511 2.633 10 0 FFAELP CC[N@H+]1CCc2nc(NC(=O)[C@@H](Cc3ccccc3)[NH+](C)C)sc2C1 ZINC000106903643 250297986 /nfs/dbraw/zinc/29/79/86/250297986.db2.gz OSCRDFWKIUIBQI-MRXNPFEDSA-N 2 2 358.511 2.633 10 0 FFAELP Cc1cc(N2C[C@H]3OCC[N@H+](Cc4ccccc4)[C@@H]3C2)nc(C(C)C)[nH+]1 ZINC000301621692 258059364 /nfs/dbraw/zinc/05/93/64/258059364.db2.gz FKZKJALKYMGAJI-RTBURBONSA-N 2 2 352.482 2.998 10 0 FFAELP Cc1cc(N2C[C@H]3OCC[N@@H+](Cc4ccccc4)[C@@H]3C2)nc(C(C)C)[nH+]1 ZINC000301621692 258059365 /nfs/dbraw/zinc/05/93/65/258059365.db2.gz FKZKJALKYMGAJI-RTBURBONSA-N 2 2 352.482 2.998 10 0 FFAELP Cn1cc[nH+]c1CC1CC[NH+](CC(=O)Nc2ccc3c(c2)CCC3)CC1 ZINC000329137050 258130475 /nfs/dbraw/zinc/13/04/75/258130475.db2.gz DBZDWGPXYXXWBO-UHFFFAOYSA-N 2 2 352.482 2.802 10 0 FFAELP C[C@@H]1Cc2[nH+]cn(C[C@@H](O)Cn3c[nH+]c4c3C[C@H](C)[C@H](C)C4)c2C[C@H]1C ZINC000333263393 258258929 /nfs/dbraw/zinc/25/89/29/258258929.db2.gz BGPYCPQQJUZDNM-OVYGPGRDSA-N 2 2 356.514 2.882 10 0 FFAELP CC[N@@H+]1CCC[C@H](NC(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)C1 ZINC000052523994 507812071 /nfs/dbraw/zinc/81/20/71/507812071.db2.gz XLJPLHROHFCKQC-SFHVURJKSA-N 2 2 359.518 2.746 10 0 FFAELP CC[N@H+]1CCC[C@H](NC(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)C1 ZINC000052523994 507812073 /nfs/dbraw/zinc/81/20/73/507812073.db2.gz XLJPLHROHFCKQC-SFHVURJKSA-N 2 2 359.518 2.746 10 0 FFAELP COc1ccc(Cl)cc1C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000109751330 507984269 /nfs/dbraw/zinc/98/42/69/507984269.db2.gz CVZZVPJXYMBWPQ-GOSISDBHSA-N 2 2 351.922 2.951 10 0 FFAELP COc1ccc(Cl)cc1C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000109751330 507984270 /nfs/dbraw/zinc/98/42/70/507984270.db2.gz CVZZVPJXYMBWPQ-GOSISDBHSA-N 2 2 351.922 2.951 10 0 FFAELP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2ccc(OC(F)F)cc2)CC1 ZINC000109753435 507984785 /nfs/dbraw/zinc/98/47/85/507984785.db2.gz VGADZLLEFFWQKJ-KRWDZBQOSA-N 2 2 353.457 2.890 10 0 FFAELP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2ccc(OC(F)F)cc2)CC1 ZINC000109753435 507984787 /nfs/dbraw/zinc/98/47/87/507984787.db2.gz VGADZLLEFFWQKJ-KRWDZBQOSA-N 2 2 353.457 2.890 10 0 FFAELP C[C@@H](c1nc(-c2cccnc2)no1)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000112981317 508236785 /nfs/dbraw/zinc/23/67/85/508236785.db2.gz OYQLNJPQGVQBSE-AWEZNQCLSA-N 2 2 352.442 2.881 10 0 FFAELP O=C(Nc1ccccc1C[NH+]1CCSCC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105025549 508357566 /nfs/dbraw/zinc/35/75/66/508357566.db2.gz LUTLGGKBEOTRDU-SFHVURJKSA-N 2 2 374.554 2.937 10 0 FFAELP O=C(Nc1ccccc1C[NH+]1CCSCC1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000105025549 508357569 /nfs/dbraw/zinc/35/75/69/508357569.db2.gz LUTLGGKBEOTRDU-SFHVURJKSA-N 2 2 374.554 2.937 10 0 FFAELP C[NH+]1CCN([C@@H]2CCCC[N@H+](Cc3coc(-c4ccccc4)n3)C2)CC1 ZINC000152278855 508414729 /nfs/dbraw/zinc/41/47/29/508414729.db2.gz MBYMLGMMDSYYKD-HXUWFJFHSA-N 2 2 354.498 2.944 10 0 FFAELP Cc1ccccc1-c1nc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)no1 ZINC000127647664 508481419 /nfs/dbraw/zinc/48/14/19/508481419.db2.gz IQJRXNTYAAMSFI-MRXNPFEDSA-N 2 2 358.486 2.570 10 0 FFAELP Cc1ccccc1-c1nc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)no1 ZINC000127647664 508481423 /nfs/dbraw/zinc/48/14/23/508481423.db2.gz IQJRXNTYAAMSFI-MRXNPFEDSA-N 2 2 358.486 2.570 10 0 FFAELP Cc1ccc(N2CCC(NC(=O)[C@@H](Cc3ccccc3)[NH+](C)C)CC2)[nH+]c1 ZINC000157746291 508606110 /nfs/dbraw/zinc/60/61/10/508606110.db2.gz PNYDWXZGZHJDAN-HXUWFJFHSA-N 2 2 366.509 2.648 10 0 FFAELP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000154339226 508763236 /nfs/dbraw/zinc/76/32/36/508763236.db2.gz AISVKBQDXJRHAM-QGZVFWFLSA-N 2 2 373.476 2.931 10 0 FFAELP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000154339226 508763238 /nfs/dbraw/zinc/76/32/38/508763238.db2.gz AISVKBQDXJRHAM-QGZVFWFLSA-N 2 2 373.476 2.931 10 0 FFAELP O[C@@H](COCc1ccccc1F)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000151100435 508956856 /nfs/dbraw/zinc/95/68/56/508956856.db2.gz RBCVVHLNQHKTKN-SJLPKXTDSA-N 2 2 359.445 2.532 10 0 FFAELP O[C@@H](COCc1ccccc1F)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000151100435 508956857 /nfs/dbraw/zinc/95/68/57/508956857.db2.gz RBCVVHLNQHKTKN-SJLPKXTDSA-N 2 2 359.445 2.532 10 0 FFAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)C1 ZINC000125277568 508958789 /nfs/dbraw/zinc/95/87/89/508958789.db2.gz KTCVUYJIHGTXPJ-GJYPPUQNSA-N 2 2 365.543 2.606 10 0 FFAELP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)C1 ZINC000125277568 508958793 /nfs/dbraw/zinc/95/87/93/508958793.db2.gz KTCVUYJIHGTXPJ-GJYPPUQNSA-N 2 2 365.543 2.606 10 0 FFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCCS(=O)(=O)c1cccc(C)c1 ZINC000155313023 508975104 /nfs/dbraw/zinc/97/51/04/508975104.db2.gz KYTCKKMITGQIAW-SFHVURJKSA-N 2 2 361.511 2.828 10 0 FFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCCS(=O)(=O)c1cccc(C)c1 ZINC000155313023 508975108 /nfs/dbraw/zinc/97/51/08/508975108.db2.gz KYTCKKMITGQIAW-SFHVURJKSA-N 2 2 361.511 2.828 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000152064352 509138985 /nfs/dbraw/zinc/13/89/85/509138985.db2.gz TVMODPBSCJCAOW-KRWDZBQOSA-N 2 2 366.469 2.682 10 0 FFAELP COCC[NH+]1[C@H](C)CN(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)C[C@H]1C ZINC000121392335 509171602 /nfs/dbraw/zinc/17/16/02/509171602.db2.gz KQRNVHOOVICYRJ-HZPDHXFCSA-N 2 2 371.485 2.660 10 0 FFAELP O=C(NCCn1cc[nH+]c1)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000247968189 509203415 /nfs/dbraw/zinc/20/34/15/509203415.db2.gz IOSQBTKZCDCCEQ-WOJBJXKFSA-N 2 2 367.497 2.579 10 0 FFAELP O=C(NCCn1cc[nH+]c1)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000247968189 509203422 /nfs/dbraw/zinc/20/34/22/509203422.db2.gz IOSQBTKZCDCCEQ-WOJBJXKFSA-N 2 2 367.497 2.579 10 0 FFAELP CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1CC[NH+](C[C@@H](O)CC)CC1 ZINC000172819560 509254541 /nfs/dbraw/zinc/25/45/41/509254541.db2.gz MEAPKVFFHIKNIY-INIZCTEOSA-N 2 2 371.481 2.613 10 0 FFAELP O[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C[NH+]1CCCCC1 ZINC000248399103 509293423 /nfs/dbraw/zinc/29/34/23/509293423.db2.gz JPLNTVCZHCQTBN-SSGKUCQKSA-N 3 2 371.569 2.724 10 0 FFAELP O[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C[NH+]1CCCCC1 ZINC000248399103 509293426 /nfs/dbraw/zinc/29/34/26/509293426.db2.gz JPLNTVCZHCQTBN-SSGKUCQKSA-N 3 2 371.569 2.724 10 0 FFAELP CCCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000248638408 509409311 /nfs/dbraw/zinc/40/93/11/509409311.db2.gz AVLVUPWFEIUWLL-IRXDYDNUSA-N 2 2 366.575 2.900 10 0 FFAELP CCCCCNC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000248638408 509409319 /nfs/dbraw/zinc/40/93/19/509409319.db2.gz AVLVUPWFEIUWLL-IRXDYDNUSA-N 2 2 366.575 2.900 10 0 FFAELP CCCCCNC(=O)[C@H](C)[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000248638408 509409324 /nfs/dbraw/zinc/40/93/24/509409324.db2.gz AVLVUPWFEIUWLL-IRXDYDNUSA-N 2 2 366.575 2.900 10 0 FFAELP CCCCCNC(=O)[C@H](C)[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000248638408 509409331 /nfs/dbraw/zinc/40/93/31/509409331.db2.gz AVLVUPWFEIUWLL-IRXDYDNUSA-N 2 2 366.575 2.900 10 0 FFAELP CCC(CC)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000248649823 509418325 /nfs/dbraw/zinc/41/83/25/509418325.db2.gz LJGCJMMDAVLKHM-CVEARBPZSA-N 2 2 366.575 2.899 10 0 FFAELP CCC(CC)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000248649823 509418331 /nfs/dbraw/zinc/41/83/31/509418331.db2.gz LJGCJMMDAVLKHM-CVEARBPZSA-N 2 2 366.575 2.899 10 0 FFAELP CCC(CC)NC(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000248649823 509418337 /nfs/dbraw/zinc/41/83/37/509418337.db2.gz LJGCJMMDAVLKHM-CVEARBPZSA-N 2 2 366.575 2.899 10 0 FFAELP CCC(CC)NC(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000248649823 509418340 /nfs/dbraw/zinc/41/83/40/509418340.db2.gz LJGCJMMDAVLKHM-CVEARBPZSA-N 2 2 366.575 2.899 10 0 FFAELP O=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000176342636 509455526 /nfs/dbraw/zinc/45/55/26/509455526.db2.gz IQHHRTBBPPVBOB-HXUWFJFHSA-N 2 2 367.497 2.722 10 0 FFAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)C1 ZINC000248796870 509487397 /nfs/dbraw/zinc/48/73/97/509487397.db2.gz JHABYWOJJMQCAQ-NUJGCVRESA-N 2 2 364.559 2.865 10 0 FFAELP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)C1 ZINC000248796870 509487405 /nfs/dbraw/zinc/48/74/05/509487405.db2.gz JHABYWOJJMQCAQ-NUJGCVRESA-N 2 2 364.559 2.865 10 0 FFAELP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C12CCOCC2 ZINC000186308051 509636712 /nfs/dbraw/zinc/63/67/12/509636712.db2.gz KSMZZBFBXGFFMO-JKSUJKDBSA-N 2 2 364.452 2.967 10 0 FFAELP COc1ccc2c(c1)nc(C[NH2+]C1CC[NH+](Cc3cccnc3)CC1)n2C ZINC000186525146 509754632 /nfs/dbraw/zinc/75/46/32/509754632.db2.gz IDVVNWJHUVKBDV-UHFFFAOYSA-N 2 2 365.481 2.731 10 0 FFAELP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000180127289 509765401 /nfs/dbraw/zinc/76/54/01/509765401.db2.gz FITNQARJPMHCAT-SFHVURJKSA-N 2 2 373.501 2.621 10 0 FFAELP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000180127289 509765410 /nfs/dbraw/zinc/76/54/10/509765410.db2.gz FITNQARJPMHCAT-SFHVURJKSA-N 2 2 373.501 2.621 10 0 FFAELP [NH3+]C1(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)CCCC1 ZINC000237904284 509770214 /nfs/dbraw/zinc/77/02/14/509770214.db2.gz PEPVFQUVVNROTF-UHFFFAOYSA-N 2 2 356.495 2.911 10 0 FFAELP [NH3+]C1(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)CCCC1 ZINC000237904284 509770219 /nfs/dbraw/zinc/77/02/19/509770219.db2.gz PEPVFQUVVNROTF-UHFFFAOYSA-N 2 2 356.495 2.911 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCC(=O)Nc2cc(N)ccc2F)C1 ZINC000177058555 509846407 /nfs/dbraw/zinc/84/64/07/509846407.db2.gz FXWKYMVQGZTKCB-OAHLLOKOSA-N 2 2 359.449 2.833 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCC(=O)Nc2cc(N)ccc2F)C1 ZINC000177058555 509846413 /nfs/dbraw/zinc/84/64/13/509846413.db2.gz FXWKYMVQGZTKCB-OAHLLOKOSA-N 2 2 359.449 2.833 10 0 FFAELP Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c1 ZINC000245524945 509984412 /nfs/dbraw/zinc/98/44/12/509984412.db2.gz NYYMXTDSXKJNQR-PZJWPPBQSA-N 2 2 372.557 2.732 10 0 FFAELP Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c1 ZINC000245524945 509984417 /nfs/dbraw/zinc/98/44/17/509984417.db2.gz NYYMXTDSXKJNQR-PZJWPPBQSA-N 2 2 372.557 2.732 10 0 FFAELP C[C@H](NC(=O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1ccc(Cl)c(Cl)c1 ZINC000193612569 509990124 /nfs/dbraw/zinc/99/01/24/509990124.db2.gz FCSDOFXVYMVLQQ-FPMFFAJLSA-N 2 2 356.297 2.664 10 0 FFAELP C[C@H](NC(=O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1ccc(Cl)c(Cl)c1 ZINC000193612569 509990134 /nfs/dbraw/zinc/99/01/34/509990134.db2.gz FCSDOFXVYMVLQQ-FPMFFAJLSA-N 2 2 356.297 2.664 10 0 FFAELP C[C@H](NC(=O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1)c1ccc(Cl)c(Cl)c1 ZINC000193612569 509990143 /nfs/dbraw/zinc/99/01/43/509990143.db2.gz FCSDOFXVYMVLQQ-FPMFFAJLSA-N 2 2 356.297 2.664 10 0 FFAELP C[C@H](NC(=O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1)c1ccc(Cl)c(Cl)c1 ZINC000193612569 509990150 /nfs/dbraw/zinc/99/01/50/509990150.db2.gz FCSDOFXVYMVLQQ-FPMFFAJLSA-N 2 2 356.297 2.664 10 0 FFAELP C[NH+](C)[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000245674572 510076064 /nfs/dbraw/zinc/07/60/64/510076064.db2.gz FOVCSEIDWFEZLF-COXVUDFISA-N 2 2 368.884 2.570 10 0 FFAELP C[NH+](C)[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000245674572 510076067 /nfs/dbraw/zinc/07/60/67/510076067.db2.gz FOVCSEIDWFEZLF-COXVUDFISA-N 2 2 368.884 2.570 10 0 FFAELP CC[N@H+](Cc1ccccn1)[C@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245749388 510127498 /nfs/dbraw/zinc/12/74/98/510127498.db2.gz GLOIFKHTOYEHAH-NQIIRXRSSA-N 2 2 366.509 2.683 10 0 FFAELP CC[N@@H+](Cc1ccccn1)[C@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245749388 510127501 /nfs/dbraw/zinc/12/75/01/510127501.db2.gz GLOIFKHTOYEHAH-NQIIRXRSSA-N 2 2 366.509 2.683 10 0 FFAELP CC[NH+](Cc1ccccn1)[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000245749388 510127504 /nfs/dbraw/zinc/12/75/04/510127504.db2.gz GLOIFKHTOYEHAH-NQIIRXRSSA-N 2 2 366.509 2.683 10 0 FFAELP CC[NH+](Cc1ccccn1)[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000245749388 510127508 /nfs/dbraw/zinc/12/75/08/510127508.db2.gz GLOIFKHTOYEHAH-NQIIRXRSSA-N 2 2 366.509 2.683 10 0 FFAELP CC(=O)c1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000245922663 510209445 /nfs/dbraw/zinc/20/94/45/510209445.db2.gz GXLUJIZCGQCIGD-KUHUBIRLSA-N 2 2 354.454 2.886 10 0 FFAELP CC(=O)c1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000245922663 510209453 /nfs/dbraw/zinc/20/94/53/510209453.db2.gz GXLUJIZCGQCIGD-KUHUBIRLSA-N 2 2 354.454 2.886 10 0 FFAELP C[C@@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171643334 510272490 /nfs/dbraw/zinc/27/24/90/510272490.db2.gz NJUBDFGXEXMKCO-JKSUJKDBSA-N 2 2 370.522 2.850 10 0 FFAELP C[C@@H](C(=O)N1CCc2sccc2C1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171643334 510272494 /nfs/dbraw/zinc/27/24/94/510272494.db2.gz NJUBDFGXEXMKCO-JKSUJKDBSA-N 2 2 370.522 2.850 10 0 FFAELP CCOC(=O)c1c[nH+]c2ccccc2c1N1CC[N@H+](CCOC)[C@H](C)C1 ZINC000174735182 510278571 /nfs/dbraw/zinc/27/85/71/510278571.db2.gz QZTVOBIMYIQHPS-OAHLLOKOSA-N 2 2 357.454 2.568 10 0 FFAELP CCOC(=O)c1c[nH+]c2ccccc2c1N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC000174735182 510278580 /nfs/dbraw/zinc/27/85/80/510278580.db2.gz QZTVOBIMYIQHPS-OAHLLOKOSA-N 2 2 357.454 2.568 10 0 FFAELP CC[C@@H](O)C[NH+]1CCN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000181208741 510302635 /nfs/dbraw/zinc/30/26/35/510302635.db2.gz VUCAWNVIOVDWAE-QGZVFWFLSA-N 2 2 370.453 2.794 10 0 FFAELP COc1ccccc1[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246206744 510363837 /nfs/dbraw/zinc/36/38/37/510363837.db2.gz YSZOHEZZUFSMGF-IRXDYDNUSA-N 2 2 368.481 2.701 10 0 FFAELP COc1ccccc1[C@H](C)NC(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246206744 510363841 /nfs/dbraw/zinc/36/38/41/510363841.db2.gz YSZOHEZZUFSMGF-IRXDYDNUSA-N 2 2 368.481 2.701 10 0 FFAELP Cc1nc(C[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)nc2ccccc12 ZINC000174881587 510363974 /nfs/dbraw/zinc/36/39/74/510363974.db2.gz OXCHJLBMUNMUPC-SFHVURJKSA-N 2 2 353.514 2.540 10 0 FFAELP Cc1nc(C[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)nc2ccccc12 ZINC000174881587 510363978 /nfs/dbraw/zinc/36/39/78/510363978.db2.gz OXCHJLBMUNMUPC-SFHVURJKSA-N 2 2 353.514 2.540 10 0 FFAELP Cc1cc(C(=O)C[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c(C)n1C1CC1 ZINC000174901961 510375983 /nfs/dbraw/zinc/37/59/83/510375983.db2.gz UFGOCZXMOMWSQV-HXUWFJFHSA-N 2 2 372.557 2.724 10 0 FFAELP Cc1cc(C(=O)C[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c(C)n1C1CC1 ZINC000174901961 510375988 /nfs/dbraw/zinc/37/59/88/510375988.db2.gz UFGOCZXMOMWSQV-HXUWFJFHSA-N 2 2 372.557 2.724 10 0 FFAELP COc1ccccc1N1CC[C@@H]([N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)C1=O ZINC000246230829 510377337 /nfs/dbraw/zinc/37/73/37/510377337.db2.gz MRMLFSXRNARHHO-FUHWJXTLSA-N 2 2 366.465 2.630 10 0 FFAELP COc1ccccc1N1CC[C@@H]([N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)C1=O ZINC000246230829 510377347 /nfs/dbraw/zinc/37/73/47/510377347.db2.gz MRMLFSXRNARHHO-FUHWJXTLSA-N 2 2 366.465 2.630 10 0 FFAELP Cc1cccc(N2CCC(NC(=O)CCn3cc[nH+]c3C(C)C)CC2)[nH+]1 ZINC000174937329 510395114 /nfs/dbraw/zinc/39/51/14/510395114.db2.gz BUDHHBBTBUPOQQ-UHFFFAOYSA-N 2 2 355.486 2.885 10 0 FFAELP CN(Cc1ccccc1F)C(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246506946 510527557 /nfs/dbraw/zinc/52/75/57/510527557.db2.gz IALCXQVQEXCSKW-PXNSSMCTSA-N 2 2 359.489 2.733 10 0 FFAELP CN(Cc1ccccc1F)C(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246506946 510527563 /nfs/dbraw/zinc/52/75/63/510527563.db2.gz IALCXQVQEXCSKW-PXNSSMCTSA-N 2 2 359.489 2.733 10 0 FFAELP CN(Cc1ccccc1F)C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246506946 510527573 /nfs/dbraw/zinc/52/75/73/510527573.db2.gz IALCXQVQEXCSKW-PXNSSMCTSA-N 2 2 359.489 2.733 10 0 FFAELP CN(Cc1ccccc1F)C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246506946 510527577 /nfs/dbraw/zinc/52/75/77/510527577.db2.gz IALCXQVQEXCSKW-PXNSSMCTSA-N 2 2 359.489 2.733 10 0 FFAELP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000246519324 510532928 /nfs/dbraw/zinc/53/29/28/510532928.db2.gz UNIHAIYWELZKHS-RLFYNMQTSA-N 2 2 363.502 2.739 10 0 FFAELP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c1 ZINC000246519324 510532937 /nfs/dbraw/zinc/53/29/37/510532937.db2.gz UNIHAIYWELZKHS-RLFYNMQTSA-N 2 2 363.502 2.739 10 0 FFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@H](O)COCc1ccc(Cl)cc1 ZINC000178320774 510544728 /nfs/dbraw/zinc/54/47/28/510544728.db2.gz HDWNSZSUAVWDCS-OALUTQOASA-N 2 2 363.889 2.887 10 0 FFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@H](O)COCc1ccc(Cl)cc1 ZINC000178320774 510544732 /nfs/dbraw/zinc/54/47/32/510544732.db2.gz HDWNSZSUAVWDCS-OALUTQOASA-N 2 2 363.889 2.887 10 0 FFAELP O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000246623037 510589384 /nfs/dbraw/zinc/58/93/84/510589384.db2.gz MGMTWTNSEPXCRC-UXHICEINSA-N 2 2 367.497 2.722 10 0 FFAELP O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000246623037 510589390 /nfs/dbraw/zinc/58/93/90/510589390.db2.gz MGMTWTNSEPXCRC-UXHICEINSA-N 2 2 367.497 2.722 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NCc2cn3c(cccc3C)[nH+]2)C1 ZINC000172464780 510742275 /nfs/dbraw/zinc/74/22/75/510742275.db2.gz ATNGGZRXXXFQDC-KRWDZBQOSA-N 2 2 366.469 2.948 10 0 FFAELP C[C@@H](NC(=O)NCC[N@@H+]1CCC[C@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000247443580 510861013 /nfs/dbraw/zinc/86/10/13/510861013.db2.gz NWQWQRMIMHFTPK-DLBZAZTESA-N 2 2 355.486 2.964 10 0 FFAELP C[C@@H](NC(=O)NCC[N@H+]1CCC[C@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000247443580 510861014 /nfs/dbraw/zinc/86/10/14/510861014.db2.gz NWQWQRMIMHFTPK-DLBZAZTESA-N 2 2 355.486 2.964 10 0 FFAELP c1ccc(NC[C@H]2CC[N@H+](Cc3ccccc3N3CCOCC3)C2)[nH+]c1 ZINC000092812841 250003344 /nfs/dbraw/zinc/00/33/44/250003344.db2.gz SIWUBCSSDRNRLD-GOSISDBHSA-N 2 2 352.482 2.852 10 0 FFAELP c1ccc(NC[C@H]2CC[N@@H+](Cc3ccccc3N3CCOCC3)C2)[nH+]c1 ZINC000092812841 250003348 /nfs/dbraw/zinc/00/33/48/250003348.db2.gz SIWUBCSSDRNRLD-GOSISDBHSA-N 2 2 352.482 2.852 10 0 FFAELP COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000103473561 250154988 /nfs/dbraw/zinc/15/49/88/250154988.db2.gz PINBYTSWMRJFJT-INIZCTEOSA-N 2 2 354.454 2.853 10 0 FFAELP COc1ccc(NC(=O)CC[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000103473561 250154992 /nfs/dbraw/zinc/15/49/92/250154992.db2.gz PINBYTSWMRJFJT-INIZCTEOSA-N 2 2 354.454 2.853 10 0 FFAELP Cn1cc[nH+]c1CC1CC[NH+](CC(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000106165666 250245220 /nfs/dbraw/zinc/24/52/20/250245220.db2.gz LRRMUCCCVSQXQX-HXUWFJFHSA-N 2 2 366.509 2.868 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)Nc2nc3c(s2)CCC3)C1 ZINC000106212870 250255511 /nfs/dbraw/zinc/25/55/11/250255511.db2.gz WGCWBFJZUPSKLX-ZDUSSCGKSA-N 2 2 359.499 2.666 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)Nc2nc3c(s2)CCC3)C1 ZINC000106212870 250255514 /nfs/dbraw/zinc/25/55/14/250255514.db2.gz WGCWBFJZUPSKLX-ZDUSSCGKSA-N 2 2 359.499 2.666 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)Nc2cccc(NC(C)=O)c2)C1 ZINC000106216388 250255561 /nfs/dbraw/zinc/25/55/61/250255561.db2.gz ZTQDQMBLGZMDHW-SFHVURJKSA-N 2 2 369.469 2.680 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(NC(C)=O)c2)C1 ZINC000106216388 250255564 /nfs/dbraw/zinc/25/55/64/250255564.db2.gz ZTQDQMBLGZMDHW-SFHVURJKSA-N 2 2 369.469 2.680 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NCCCCn2cc[nH+]c2C)C1 ZINC000175465959 251212226 /nfs/dbraw/zinc/21/22/26/251212226.db2.gz CKFUIYZQKVAMIY-QGZVFWFLSA-N 2 2 358.490 2.777 10 0 FFAELP Cc1nc(N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)c2c([nH+]1)CCCC2 ZINC000302072198 258086244 /nfs/dbraw/zinc/08/62/44/258086244.db2.gz ZBCNNGIRKZTSFG-HXUWFJFHSA-N 2 2 352.482 2.519 10 0 FFAELP Cc1csc(N2CCC([NH2+][C@@H]3CCO[C@@H](c4c[nH+]cn4C)C3)CC2)n1 ZINC000329832932 258148552 /nfs/dbraw/zinc/14/85/52/258148552.db2.gz UDYIDPVJLZHJBO-NVXWUHKLSA-N 2 2 361.515 2.664 10 0 FFAELP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C1)CCC2 ZINC000332695116 258240592 /nfs/dbraw/zinc/24/05/92/258240592.db2.gz XHEKJHVFRMTEHQ-SCTDSRPQSA-N 2 2 371.529 2.727 10 0 FFAELP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C1)CCC2 ZINC000332695116 258240593 /nfs/dbraw/zinc/24/05/93/258240593.db2.gz XHEKJHVFRMTEHQ-SCTDSRPQSA-N 2 2 371.529 2.727 10 0 FFAELP C[C@H]1CCN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)[C@H](C[NH3+])C1 ZINC000333179672 258254486 /nfs/dbraw/zinc/25/44/86/258254486.db2.gz RQWKFYOLJOIJRO-ZFWWWQNUSA-N 2 2 351.520 2.720 10 0 FFAELP C(=C/C[NH+]1CCC([NH+]2CCCC2)CC1)\CN1CCC([NH+]2CCCC2)CC1 ZINC000066532896 506548336 /nfs/dbraw/zinc/54/83/36/506548336.db2.gz NTVPKCOJXWVYEC-OWOJBTEDSA-N 3 2 360.590 2.663 10 0 FFAELP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000106908112 507827731 /nfs/dbraw/zinc/82/77/31/507827731.db2.gz MRAYVMUOQLUKQN-FQEVSTJZSA-N 2 2 366.509 2.861 10 0 FFAELP Cc1cccc2[nH+]c(CNC(=O)N3CCC(C[NH+]4CCCC4)CC3)cn21 ZINC000109405298 507961041 /nfs/dbraw/zinc/96/10/41/507961041.db2.gz CPSRWRJFRCZHHD-UHFFFAOYSA-N 2 2 355.486 2.660 10 0 FFAELP OC[C@H]1CCCN1c1cc(NCc2cccc(C[NH+]3CCCC3)c2)[nH+]cn1 ZINC000110129033 508009589 /nfs/dbraw/zinc/00/95/89/508009589.db2.gz RXOBUTNBFQMHMB-LJQANCHMSA-N 2 2 367.497 2.646 10 0 FFAELP OC[C@H]1CCCN1c1cc(NCc2cccc(C[NH+]3CCCC3)c2)nc[nH+]1 ZINC000110129033 508009592 /nfs/dbraw/zinc/00/95/92/508009592.db2.gz RXOBUTNBFQMHMB-LJQANCHMSA-N 2 2 367.497 2.646 10 0 FFAELP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000106433936 508400786 /nfs/dbraw/zinc/40/07/86/508400786.db2.gz HAXDJESHXKYJJV-FQEVSTJZSA-N 2 2 366.440 2.801 10 0 FFAELP COc1cc(OC)c(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)c(OC)c1 ZINC000121791823 508419188 /nfs/dbraw/zinc/41/91/88/508419188.db2.gz UHYAYTYXZPVRGZ-UHFFFAOYSA-N 2 2 359.470 2.901 10 0 FFAELP C[C@@H]1CCCN(c2cc(NCc3ccnc(OCC[NH+](C)C)c3)[nH+]cn2)C1 ZINC000135377741 508596128 /nfs/dbraw/zinc/59/61/28/508596128.db2.gz CDBPNMTXHYAFQE-MRXNPFEDSA-N 2 2 370.501 2.660 10 0 FFAELP C[C@@H]1CCCN(c2cc(NCc3ccnc(OCC[NH+](C)C)c3)nc[nH+]2)C1 ZINC000135377741 508596131 /nfs/dbraw/zinc/59/61/31/508596131.db2.gz CDBPNMTXHYAFQE-MRXNPFEDSA-N 2 2 370.501 2.660 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccccc2OCC(=O)N(C)C)C1 ZINC000122909240 508605975 /nfs/dbraw/zinc/60/59/75/508605975.db2.gz HQGITTOCKBSGST-SFHVURJKSA-N 2 2 370.497 2.750 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccccc2OCC(=O)N(C)C)C1 ZINC000122909240 508605979 /nfs/dbraw/zinc/60/59/79/508605979.db2.gz HQGITTOCKBSGST-SFHVURJKSA-N 2 2 370.497 2.750 10 0 FFAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000123302431 508665948 /nfs/dbraw/zinc/66/59/48/508665948.db2.gz FVIAEGKVZFGBOV-AEFFLSMTSA-N 2 2 371.485 2.812 10 0 FFAELP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000123302431 508665951 /nfs/dbraw/zinc/66/59/51/508665951.db2.gz FVIAEGKVZFGBOV-AEFFLSMTSA-N 2 2 371.485 2.812 10 0 FFAELP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)Nc3nnc(C(C)C)s3)C2)[nH+]1 ZINC000136962525 508727810 /nfs/dbraw/zinc/72/78/10/508727810.db2.gz CGHDTITVARVEQV-CQSZACIVSA-N 2 2 374.514 2.737 10 0 FFAELP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)Nc3nnc(C(C)C)s3)C2)[nH+]1 ZINC000136962525 508727813 /nfs/dbraw/zinc/72/78/13/508727813.db2.gz CGHDTITVARVEQV-CQSZACIVSA-N 2 2 374.514 2.737 10 0 FFAELP COc1ccccc1CCC[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000182442777 509238990 /nfs/dbraw/zinc/23/89/90/509238990.db2.gz AQKZZKLZNRRXAO-UHFFFAOYSA-N 2 2 356.514 2.921 10 0 FFAELP COc1ccccc1CCC[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000182442777 509238995 /nfs/dbraw/zinc/23/89/95/509238995.db2.gz AQKZZKLZNRRXAO-UHFFFAOYSA-N 2 2 356.514 2.921 10 0 FFAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2nc3ccccc3o2)nc[nH+]1 ZINC000182452040 509246444 /nfs/dbraw/zinc/24/64/44/509246444.db2.gz YOPFBJMTXJYCGW-ZIAGYGMSSA-N 2 2 352.442 2.979 10 0 FFAELP CCOCc1cc(C[NH+]2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)ccc1OC ZINC000179343630 509387367 /nfs/dbraw/zinc/38/73/67/509387367.db2.gz RLCNPTOJGAKYJB-KRWDZBQOSA-N 2 2 362.514 2.917 10 0 FFAELP CCOCc1cc(C[NH+]2CCC([N@H+]3CCO[C@@H](C)C3)CC2)ccc1OC ZINC000179343630 509387373 /nfs/dbraw/zinc/38/73/73/509387373.db2.gz RLCNPTOJGAKYJB-KRWDZBQOSA-N 2 2 362.514 2.917 10 0 FFAELP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248637958 509406905 /nfs/dbraw/zinc/40/69/05/509406905.db2.gz AQHDSZIAUFSMPJ-ZFMNYDKASA-N 2 2 372.557 2.919 10 0 FFAELP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248637958 509406909 /nfs/dbraw/zinc/40/69/09/509406909.db2.gz AQHDSZIAUFSMPJ-ZFMNYDKASA-N 2 2 372.557 2.919 10 0 FFAELP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248637958 509406915 /nfs/dbraw/zinc/40/69/15/509406915.db2.gz AQHDSZIAUFSMPJ-ZFMNYDKASA-N 2 2 372.557 2.919 10 0 FFAELP C[C@H](C(=O)NCc1cccs1)[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248644424 509410613 /nfs/dbraw/zinc/41/06/13/509410613.db2.gz FJFYAYMCIILGCE-AEFFLSMTSA-N 2 2 372.538 2.602 10 0 FFAELP C[C@H](C(=O)NCc1cccs1)[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248644424 509410622 /nfs/dbraw/zinc/41/06/22/509410622.db2.gz FJFYAYMCIILGCE-AEFFLSMTSA-N 2 2 372.538 2.602 10 0 FFAELP C[C@H](C(=O)NCc1cccs1)[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248644424 509410631 /nfs/dbraw/zinc/41/06/31/509410631.db2.gz FJFYAYMCIILGCE-AEFFLSMTSA-N 2 2 372.538 2.602 10 0 FFAELP C[C@H](C(=O)NCc1cccs1)[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248644424 509410641 /nfs/dbraw/zinc/41/06/41/509410641.db2.gz FJFYAYMCIILGCE-AEFFLSMTSA-N 2 2 372.538 2.602 10 0 FFAELP C[C@@H](C(=O)Nc1ccccc1)[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248651300 509417267 /nfs/dbraw/zinc/41/72/67/509417267.db2.gz MRULKELBNYWTAR-HKUYNNGSSA-N 2 2 352.482 2.863 10 0 FFAELP C[C@@H](C(=O)Nc1ccccc1)[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248651300 509417279 /nfs/dbraw/zinc/41/72/79/509417279.db2.gz MRULKELBNYWTAR-HKUYNNGSSA-N 2 2 352.482 2.863 10 0 FFAELP C[C@@H](C(=O)Nc1ccccc1)[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248651300 509417285 /nfs/dbraw/zinc/41/72/85/509417285.db2.gz MRULKELBNYWTAR-HKUYNNGSSA-N 2 2 352.482 2.863 10 0 FFAELP Cc1ccc(N2CCC(NC(=O)NCc3[nH+]ccn3CC(C)C)CC2)[nH+]c1 ZINC000173367627 509557291 /nfs/dbraw/zinc/55/72/91/509557291.db2.gz IHPKOFSCEIWQAS-UHFFFAOYSA-N 2 2 370.501 2.711 10 0 FFAELP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccncc3)CC2)C12CCOCC2 ZINC000186258318 509606864 /nfs/dbraw/zinc/60/68/64/509606864.db2.gz NPSMCDMHHGAVRU-VQTJNVASSA-N 2 2 359.514 2.610 10 0 FFAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](c2ncc[nH]2)c2ccccc2)nc[nH+]1 ZINC000249206397 509634698 /nfs/dbraw/zinc/63/46/98/509634698.db2.gz WABFGXJWSYADRG-QFBILLFUSA-N 2 2 363.469 2.589 10 0 FFAELP C[N@@H+]1CCO[C@@H]([C@H](NC(=O)c2ccc(C[NH3+])cc2)c2ccc(Cl)cc2)C1 ZINC000186484420 509733521 /nfs/dbraw/zinc/73/35/21/509733521.db2.gz GBBGUEXLCWUPAR-RTBURBONSA-N 2 2 373.884 2.600 10 0 FFAELP C[N@H+]1CCO[C@@H]([C@H](NC(=O)c2ccc(C[NH3+])cc2)c2ccc(Cl)cc2)C1 ZINC000186484420 509733532 /nfs/dbraw/zinc/73/35/32/509733532.db2.gz GBBGUEXLCWUPAR-RTBURBONSA-N 2 2 373.884 2.600 10 0 FFAELP Cc1nc([C@@H]2CCC[N@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)cs1 ZINC000189782742 509749380 /nfs/dbraw/zinc/74/93/80/509749380.db2.gz PNXGYCZUVSFTRF-KRWDZBQOSA-N 2 2 350.532 2.577 10 0 FFAELP Cc1nc([C@@H]2CCC[N@@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)cs1 ZINC000189782742 509749386 /nfs/dbraw/zinc/74/93/86/509749386.db2.gz PNXGYCZUVSFTRF-KRWDZBQOSA-N 2 2 350.532 2.577 10 0 FFAELP Cc1nn(C)c(OCC(F)(F)F)c1C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000180132340 509770164 /nfs/dbraw/zinc/77/01/64/509770164.db2.gz BAODAONKTJTNON-CQSZACIVSA-N 2 2 371.407 2.839 10 0 FFAELP Cc1nn(C)c(OCC(F)(F)F)c1C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000180132340 509770172 /nfs/dbraw/zinc/77/01/72/509770172.db2.gz BAODAONKTJTNON-CQSZACIVSA-N 2 2 371.407 2.839 10 0 FFAELP C[C@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1cccs1 ZINC000171112387 509950626 /nfs/dbraw/zinc/95/06/26/509950626.db2.gz LRTZASGTCICBPK-HNNXBMFYSA-N 2 2 359.495 2.870 10 0 FFAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2ccccc2N(C)C)nc[nH+]1 ZINC000180565893 509987406 /nfs/dbraw/zinc/98/74/06/509987406.db2.gz ICANXVYEIVRNSC-CVEARBPZSA-N 2 2 354.502 2.904 10 0 FFAELP C[C@H]([NH2+]CC(=O)NCc1ccc(F)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180647155 510032977 /nfs/dbraw/zinc/03/29/77/510032977.db2.gz COQPNKKZYXYDLB-HNNXBMFYSA-N 2 2 352.413 2.978 10 0 FFAELP C[C@@H]([NH2+]Cc1cc(=O)n2ccsc2n1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180666756 510044617 /nfs/dbraw/zinc/04/46/17/510044617.db2.gz CBDXOMGVSNJSOE-CYBMUJFWSA-N 2 2 351.435 2.793 10 0 FFAELP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000177489182 510092238 /nfs/dbraw/zinc/09/22/38/510092238.db2.gz QTOSWVVAJMICAI-ROUUACIJSA-N 2 2 361.530 2.731 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2C(=O)OC)C1 ZINC000171524106 510206908 /nfs/dbraw/zinc/20/69/08/510206908.db2.gz VIFMRSGJZSXSNC-OAHLLOKOSA-N 2 2 370.453 2.508 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2C(=O)OC)C1 ZINC000171524106 510206918 /nfs/dbraw/zinc/20/69/18/510206918.db2.gz VIFMRSGJZSXSNC-OAHLLOKOSA-N 2 2 370.453 2.508 10 0 FFAELP O=C([C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177748854 510231625 /nfs/dbraw/zinc/23/16/25/510231625.db2.gz ISHABXHRVCEQHG-VQTJNVASSA-N 2 2 352.482 2.786 10 0 FFAELP O=C([C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177748854 510231628 /nfs/dbraw/zinc/23/16/28/510231628.db2.gz ISHABXHRVCEQHG-VQTJNVASSA-N 2 2 352.482 2.786 10 0 FFAELP COC(=O)[C@@H](c1cc(OC)cc(OC)c1)[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000245977069 510236370 /nfs/dbraw/zinc/23/63/70/510236370.db2.gz XGOPKFKBSWYNBN-VQIMIIECSA-N 2 2 373.453 2.587 10 0 FFAELP COC(=O)[C@@H](c1cc(OC)cc(OC)c1)[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000245977069 510236374 /nfs/dbraw/zinc/23/63/74/510236374.db2.gz XGOPKFKBSWYNBN-VQIMIIECSA-N 2 2 373.453 2.587 10 0 FFAELP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CCCN(c3cccc[nH+]3)CC2)C1 ZINC000184301519 510249237 /nfs/dbraw/zinc/24/92/37/510249237.db2.gz RUTYNSGMGQXEKH-IBGZPJMESA-N 2 2 373.545 2.671 10 0 FFAELP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CCCN(c3cccc[nH+]3)CC2)C1 ZINC000184301519 510249241 /nfs/dbraw/zinc/24/92/41/510249241.db2.gz RUTYNSGMGQXEKH-IBGZPJMESA-N 2 2 373.545 2.671 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000171619112 510255632 /nfs/dbraw/zinc/25/56/32/510255632.db2.gz MCJHQXDXCDWQRA-MOPGFXCFSA-N 2 2 354.498 2.782 10 0 FFAELP Cc1ccsc1CNC(=O)C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000171649133 510276859 /nfs/dbraw/zinc/27/68/59/510276859.db2.gz XMGXLMLQPBRJRE-INIZCTEOSA-N 2 2 358.511 2.810 10 0 FFAELP Cc1ccsc1CNC(=O)C[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000171649133 510276867 /nfs/dbraw/zinc/27/68/67/510276867.db2.gz XMGXLMLQPBRJRE-INIZCTEOSA-N 2 2 358.511 2.810 10 0 FFAELP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccnn3C(C)C)C2)[nH+]1 ZINC000171652089 510281612 /nfs/dbraw/zinc/28/16/12/510281612.db2.gz LEVWFJBJEJCJMG-IRXDYDNUSA-N 2 2 370.501 2.928 10 0 FFAELP Cc1cccc(NC[C@@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccnn3C(C)C)C2)[nH+]1 ZINC000171652089 510281620 /nfs/dbraw/zinc/28/16/20/510281620.db2.gz LEVWFJBJEJCJMG-IRXDYDNUSA-N 2 2 370.501 2.928 10 0 FFAELP Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174880587 510363911 /nfs/dbraw/zinc/36/39/11/510363911.db2.gz XJXFRDWBAYOBLX-PMACEKPBSA-N 2 2 372.557 2.732 10 0 FFAELP Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174880587 510363917 /nfs/dbraw/zinc/36/39/17/510363917.db2.gz XJXFRDWBAYOBLX-PMACEKPBSA-N 2 2 372.557 2.732 10 0 FFAELP O=c1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c2ccc(O)cc2o1 ZINC000246278974 510403608 /nfs/dbraw/zinc/40/36/08/510403608.db2.gz ATZFMRXLTXJTFM-LIRRHRJNSA-N 2 2 354.450 2.947 10 0 FFAELP O=c1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c2ccc(O)cc2o1 ZINC000246278974 510403617 /nfs/dbraw/zinc/40/36/17/510403617.db2.gz ATZFMRXLTXJTFM-LIRRHRJNSA-N 2 2 354.450 2.947 10 0 FFAELP Cc1ccc2c(c1)[C@@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)[C@@H](C)C2 ZINC000181677599 510535720 /nfs/dbraw/zinc/53/57/20/510535720.db2.gz GCEAANLZVFSYKK-JXFKEZNVSA-N 2 2 358.530 2.554 10 0 FFAELP COc1ccc(-c2noc(C[N@@H+]3CCC[C@@H]3Cn3cc[nH+]c3C)n2)cc1 ZINC000178307591 510537648 /nfs/dbraw/zinc/53/76/48/510537648.db2.gz AQHVHIGMQHJODA-MRXNPFEDSA-N 2 2 353.426 2.915 10 0 FFAELP COc1ccc(-c2noc(C[N@H+]3CCC[C@@H]3Cn3cc[nH+]c3C)n2)cc1 ZINC000178307591 510537652 /nfs/dbraw/zinc/53/76/52/510537652.db2.gz AQHVHIGMQHJODA-MRXNPFEDSA-N 2 2 353.426 2.915 10 0 FFAELP CC(=O)N(c1nc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cs1)C1CC1 ZINC000178310511 510540405 /nfs/dbraw/zinc/54/04/05/510540405.db2.gz QEBXJUKBOZRKRY-KRWDZBQOSA-N 2 2 359.499 2.828 10 0 FFAELP CC(=O)N(c1nc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cs1)C1CC1 ZINC000178310511 510540407 /nfs/dbraw/zinc/54/04/07/510540407.db2.gz QEBXJUKBOZRKRY-KRWDZBQOSA-N 2 2 359.499 2.828 10 0 FFAELP O=c1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)nc2ccc(Cl)cn12 ZINC000246576553 510565841 /nfs/dbraw/zinc/56/58/41/510565841.db2.gz LQLGCTMKIWJHBS-KBXCAEBGSA-N 2 2 372.900 2.797 10 0 FFAELP O=c1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc2ccc(Cl)cn12 ZINC000246576553 510565860 /nfs/dbraw/zinc/56/58/60/510565860.db2.gz LQLGCTMKIWJHBS-KBXCAEBGSA-N 2 2 372.900 2.797 10 0 FFAELP O=c1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)nc2ccc(Cl)cn12 ZINC000246576553 510565868 /nfs/dbraw/zinc/56/58/68/510565868.db2.gz LQLGCTMKIWJHBS-KBXCAEBGSA-N 2 2 372.900 2.797 10 0 FFAELP C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C[C@@H]1C ZINC000181918647 510659434 /nfs/dbraw/zinc/65/94/34/510659434.db2.gz HTZCZWCICWPUQS-JKSUJKDBSA-N 2 2 370.453 2.793 10 0 FFAELP C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C[C@@H]1C ZINC000181918647 510659442 /nfs/dbraw/zinc/65/94/42/510659442.db2.gz HTZCZWCICWPUQS-JKSUJKDBSA-N 2 2 370.453 2.793 10 0 FFAELP CCOc1cccc(CNC(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246785715 510673222 /nfs/dbraw/zinc/67/32/22/510673222.db2.gz MBBLXQMVDSAIIM-GHTZIAJQSA-N 2 2 371.525 2.650 10 0 FFAELP CCOc1cccc(CNC(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246785715 510673226 /nfs/dbraw/zinc/67/32/26/510673226.db2.gz MBBLXQMVDSAIIM-GHTZIAJQSA-N 2 2 371.525 2.650 10 0 FFAELP CCOc1cccc(CNC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246785715 510673231 /nfs/dbraw/zinc/67/32/31/510673231.db2.gz MBBLXQMVDSAIIM-GHTZIAJQSA-N 2 2 371.525 2.650 10 0 FFAELP CCOc1cccc(CNC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246785715 510673232 /nfs/dbraw/zinc/67/32/32/510673232.db2.gz MBBLXQMVDSAIIM-GHTZIAJQSA-N 2 2 371.525 2.650 10 0 FFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(OC(F)F)cc1 ZINC000178754332 510756502 /nfs/dbraw/zinc/75/65/02/510756502.db2.gz HOPYNGDKIOSXTF-HNNXBMFYSA-N 2 2 364.396 2.896 10 0 FFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(OC(F)F)cc1 ZINC000178754332 510756507 /nfs/dbraw/zinc/75/65/07/510756507.db2.gz HOPYNGDKIOSXTF-HNNXBMFYSA-N 2 2 364.396 2.896 10 0 FFAELP CC(=O)Nc1cccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)c1 ZINC000195280200 510757720 /nfs/dbraw/zinc/75/77/20/510757720.db2.gz FXNXRMHCMQREFC-HXUWFJFHSA-N 2 2 352.482 2.994 10 0 FFAELP CC(=O)Nc1cccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)c1 ZINC000195280200 510757727 /nfs/dbraw/zinc/75/77/27/510757727.db2.gz FXNXRMHCMQREFC-HXUWFJFHSA-N 2 2 352.482 2.994 10 0 FFAELP CC(=O)Nc1cccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000195280200 510757732 /nfs/dbraw/zinc/75/77/32/510757732.db2.gz FXNXRMHCMQREFC-HXUWFJFHSA-N 2 2 352.482 2.994 10 0 FFAELP CC(=O)Nc1cccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000195280200 510757740 /nfs/dbraw/zinc/75/77/40/510757740.db2.gz FXNXRMHCMQREFC-HXUWFJFHSA-N 2 2 352.482 2.994 10 0 FFAELP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)Nc3ccc(OC(F)F)cc3)CC[C@H]21 ZINC000246943236 510758797 /nfs/dbraw/zinc/75/87/97/510758797.db2.gz NQANPMUKDJDYRI-CZUORRHYSA-N 2 2 353.413 2.643 10 0 FFAELP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)Nc3ccc(OC(F)F)cc3)CC[C@H]21 ZINC000246943236 510758800 /nfs/dbraw/zinc/75/88/00/510758800.db2.gz NQANPMUKDJDYRI-CZUORRHYSA-N 2 2 353.413 2.643 10 0 FFAELP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)Nc3ccc(OC(F)F)cc3)CC[C@H]21 ZINC000246943236 510758806 /nfs/dbraw/zinc/75/88/06/510758806.db2.gz NQANPMUKDJDYRI-CZUORRHYSA-N 2 2 353.413 2.643 10 0 FFAELP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)Nc3ccc(OC(F)F)cc3)CC[C@H]21 ZINC000246943236 510758810 /nfs/dbraw/zinc/75/88/10/510758810.db2.gz NQANPMUKDJDYRI-CZUORRHYSA-N 2 2 353.413 2.643 10 0 FFAELP CC1CCC(NC(=O)C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)CC1 ZINC000195294289 510767480 /nfs/dbraw/zinc/76/74/80/510767480.db2.gz RYSFLLALLKQDKQ-SYYJFZTOSA-N 2 2 358.530 2.530 10 0 FFAELP CC1CCC(NC(=O)C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)CC1 ZINC000195294289 510767484 /nfs/dbraw/zinc/76/74/84/510767484.db2.gz RYSFLLALLKQDKQ-SYYJFZTOSA-N 2 2 358.530 2.530 10 0 FFAELP CC1CCC(NC(=O)C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)CC1 ZINC000195294289 510767494 /nfs/dbraw/zinc/76/74/94/510767494.db2.gz RYSFLLALLKQDKQ-SYYJFZTOSA-N 2 2 358.530 2.530 10 0 FFAELP CC1CCC(NC(=O)C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)CC1 ZINC000195294289 510767504 /nfs/dbraw/zinc/76/75/04/510767504.db2.gz RYSFLLALLKQDKQ-SYYJFZTOSA-N 2 2 358.530 2.530 10 0 FFAELP CCc1oc(C(=O)OC)cc1C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195296730 510770103 /nfs/dbraw/zinc/77/01/03/510770103.db2.gz GVIFJLQHCRQSQQ-KRWDZBQOSA-N 2 2 371.481 2.978 10 0 FFAELP CCc1oc(C(=O)OC)cc1C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195296730 510770105 /nfs/dbraw/zinc/77/01/05/510770105.db2.gz GVIFJLQHCRQSQQ-KRWDZBQOSA-N 2 2 371.481 2.978 10 0 FFAELP CCc1oc(C(=O)OC)cc1C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195296730 510770110 /nfs/dbraw/zinc/77/01/10/510770110.db2.gz GVIFJLQHCRQSQQ-KRWDZBQOSA-N 2 2 371.481 2.978 10 0 FFAELP CCc1oc(C(=O)OC)cc1C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195296730 510770114 /nfs/dbraw/zinc/77/01/14/510770114.db2.gz GVIFJLQHCRQSQQ-KRWDZBQOSA-N 2 2 371.481 2.978 10 0 FFAELP CC(C)[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)C1 ZINC000247003258 510794864 /nfs/dbraw/zinc/79/48/64/510794864.db2.gz KTCVUYJIHGTXPJ-TXPKVOOTSA-N 2 2 365.543 2.606 10 0 FFAELP CC(C)[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)C1 ZINC000247003258 510794870 /nfs/dbraw/zinc/79/48/70/510794870.db2.gz KTCVUYJIHGTXPJ-TXPKVOOTSA-N 2 2 365.543 2.606 10 0 FFAELP C[N@@H+]1CCC[C@H]2CN(C(=O)NCc3cc[nH+]c(N4CCCCC4)c3)CC[C@H]21 ZINC000247280208 510855179 /nfs/dbraw/zinc/85/51/79/510855179.db2.gz STIPFCBULAALAR-RBUKOAKNSA-N 2 2 371.529 2.698 10 0 FFAELP C[N@H+]1CCC[C@H]2CN(C(=O)NCc3cc[nH+]c(N4CCCCC4)c3)CC[C@H]21 ZINC000247280208 510855180 /nfs/dbraw/zinc/85/51/80/510855180.db2.gz STIPFCBULAALAR-RBUKOAKNSA-N 2 2 371.529 2.698 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NCc2cccc(OC)c2)C1 ZINC000247777492 510870223 /nfs/dbraw/zinc/87/02/23/510870223.db2.gz RBAMZKQIBGMMOI-SJLPKXTDSA-N 2 2 370.497 2.796 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)NCc2cccc(OC)c2)C1 ZINC000247777492 510870224 /nfs/dbraw/zinc/87/02/24/510870224.db2.gz RBAMZKQIBGMMOI-SJLPKXTDSA-N 2 2 370.497 2.796 10 0 FFAELP COC(=O)CC[C@H]1C[N@H+](C/C=C/c2ccccc2)CC[C@H]1[NH+]1CCOCC1 ZINC000299769470 511674532 /nfs/dbraw/zinc/67/45/32/511674532.db2.gz PSRAUVIDLOAIEP-LZMPDKMXSA-N 2 2 372.509 2.676 10 0 FFAELP COC(=O)CC[C@H]1C[N@@H+](C/C=C/c2ccccc2)CC[C@H]1[NH+]1CCOCC1 ZINC000299769470 511674535 /nfs/dbraw/zinc/67/45/35/511674535.db2.gz PSRAUVIDLOAIEP-LZMPDKMXSA-N 2 2 372.509 2.676 10 0 FFAELP C[N@@H+]1CC[C@@H](C[NH2+]C2CCN(c3nccs3)CC2)[C@@H]1c1cccnc1 ZINC000328628688 511899784 /nfs/dbraw/zinc/89/97/84/511899784.db2.gz HNBSNIYQLDIHFF-WMZOPIPTSA-N 2 2 357.527 2.790 10 0 FFAELP C[N@H+]1CC[C@@H](C[NH2+]C2CCN(c3nccs3)CC2)[C@@H]1c1cccnc1 ZINC000328628688 511899791 /nfs/dbraw/zinc/89/97/91/511899791.db2.gz HNBSNIYQLDIHFF-WMZOPIPTSA-N 2 2 357.527 2.790 10 0 FFAELP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(Br)cc1O ZINC000185115577 729341860 /nfs/dbraw/zinc/34/18/60/729341860.db2.gz DYUGZSAVVDSINR-GXTWGEPZSA-N 2 2 357.292 2.652 10 0 FFAELP CC(C)[C@@H]1OCCC[C@@H]1Nc1nc(NC[C@H]2CCCn3cc[nH+]c32)cc[nH+]1 ZINC000330149166 990817195 /nfs/dbraw/zinc/81/71/95/990817195.db2.gz VAGPANOATMRWOD-RYRKJORJSA-N 2 2 370.501 3.278 10 0 FFAELP CC[N@@H+]1CCC[C@@H](C[NH+](C)C[C@H](O)c2ccccc2F)[C@@H]1c1cnn(C)c1 ZINC000328651945 210124856 /nfs/dbraw/zinc/12/48/56/210124856.db2.gz WEYWRIVAODNEDI-ORYQWCPZSA-N 2 2 374.504 2.998 10 0 FFAELP CC[N@H+]1CCC[C@@H](C[NH+](C)C[C@H](O)c2ccccc2F)[C@@H]1c1cnn(C)c1 ZINC000328651945 210124858 /nfs/dbraw/zinc/12/48/58/210124858.db2.gz WEYWRIVAODNEDI-ORYQWCPZSA-N 2 2 374.504 2.998 10 0 FFAELP CC[NH+]1CCC[C@@H](C[N@H+](C)C[C@H](O)c2ccccc2F)[C@@H]1c1cnn(C)c1 ZINC000328651945 210124861 /nfs/dbraw/zinc/12/48/61/210124861.db2.gz WEYWRIVAODNEDI-ORYQWCPZSA-N 2 2 374.504 2.998 10 0 FFAELP CC[NH+]1CCC[C@@H](C[N@@H+](C)C[C@H](O)c2ccccc2F)[C@@H]1c1cnn(C)c1 ZINC000328651945 210124864 /nfs/dbraw/zinc/12/48/64/210124864.db2.gz WEYWRIVAODNEDI-ORYQWCPZSA-N 2 2 374.504 2.998 10 0 FFAELP Cc1ccn2c(C[N@@H+](C)C[C@@H]3CCC[NH+](C)[C@H]3c3cnn(C)c3)cnc2c1 ZINC000328632982 210119362 /nfs/dbraw/zinc/11/93/62/210119362.db2.gz LRJHLHGXSQJFOS-LAUBAEHRSA-N 2 2 366.513 2.891 10 0 FFAELP Cc1ccn2c(C[N@H+](C)C[C@@H]3CCC[NH+](C)[C@H]3c3cnn(C)c3)cnc2c1 ZINC000328632982 210119365 /nfs/dbraw/zinc/11/93/65/210119365.db2.gz LRJHLHGXSQJFOS-LAUBAEHRSA-N 2 2 366.513 2.891 10 0 FFAELP Cc1ccn2c(C[NH+](C)C[C@@H]3CCC[N@H+](C)[C@H]3c3cnn(C)c3)cnc2c1 ZINC000328632982 210119368 /nfs/dbraw/zinc/11/93/68/210119368.db2.gz LRJHLHGXSQJFOS-LAUBAEHRSA-N 2 2 366.513 2.891 10 0 FFAELP Cc1ccn2c(C[NH+](C)C[C@@H]3CCC[N@@H+](C)[C@H]3c3cnn(C)c3)cnc2c1 ZINC000328632982 210119372 /nfs/dbraw/zinc/11/93/72/210119372.db2.gz LRJHLHGXSQJFOS-LAUBAEHRSA-N 2 2 366.513 2.891 10 0 FFAELP Cc1ccc([C@@H]2CCCC[N@H+]2Cc2cnc(N3CC[NH+](C)CC3)nc2)o1 ZINC000093443941 250036390 /nfs/dbraw/zinc/03/63/90/250036390.db2.gz TXSWMFHZKHNTCH-SFHVURJKSA-N 2 2 355.486 2.857 10 0 FFAELP Cc1ccc([C@@H]2CCCC[N@@H+]2Cc2cnc(N3CC[NH+](C)CC3)nc2)o1 ZINC000093443941 250036394 /nfs/dbraw/zinc/03/63/94/250036394.db2.gz TXSWMFHZKHNTCH-SFHVURJKSA-N 2 2 355.486 2.857 10 0 FFAELP C[C@H](C(=O)Nc1cccnc1Cl)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000106164772 250246614 /nfs/dbraw/zinc/24/66/14/250246614.db2.gz CTLUXFWBBVPZIW-CYBMUJFWSA-N 2 2 361.877 2.750 10 0 FFAELP Cn1cc[nH+]c1CC1CC[NH+](CC(=O)NCc2ccc(Cl)cc2)CC1 ZINC000106165991 250247281 /nfs/dbraw/zinc/24/72/81/250247281.db2.gz VWGGRGFZUFGUGT-UHFFFAOYSA-N 2 2 360.889 2.644 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cc(=O)n3c(C)csc3n2)C1 ZINC000106217182 250257104 /nfs/dbraw/zinc/25/71/04/250257104.db2.gz DTZGYRHWFVSQRL-OAHLLOKOSA-N 2 2 357.483 2.660 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cc(=O)n3c(C)csc3n2)C1 ZINC000106217182 250257107 /nfs/dbraw/zinc/25/71/07/250257107.db2.gz DTZGYRHWFVSQRL-OAHLLOKOSA-N 2 2 357.483 2.660 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NCc2ccccc2OC)C1 ZINC000106215212 250257214 /nfs/dbraw/zinc/25/72/14/250257214.db2.gz SYDFUEZTOAXSPT-FUHWJXTLSA-N 2 2 370.497 2.796 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NCc2ccccc2OC)C1 ZINC000106215212 250257217 /nfs/dbraw/zinc/25/72/17/250257217.db2.gz SYDFUEZTOAXSPT-FUHWJXTLSA-N 2 2 370.497 2.796 10 0 FFAELP C[C@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1cccc(Cl)c1 ZINC000175534705 251223241 /nfs/dbraw/zinc/22/32/41/251223241.db2.gz CPHHVUPQBXOKAN-AWEZNQCLSA-N 2 2 352.910 2.726 10 0 FFAELP CCOc1ccc(/C=C/C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000050800219 507713299 /nfs/dbraw/zinc/71/32/99/507713299.db2.gz ZIZUWPMIFSGNRG-RMKNXTFCSA-N 2 2 371.525 2.773 10 0 FFAELP C[C@H](CNC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C[NH+]1CCCC1 ZINC000073774281 507954296 /nfs/dbraw/zinc/95/42/96/507954296.db2.gz LXHZMXRVCMMGCU-SJORKVTESA-N 2 2 355.486 2.964 10 0 FFAELP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCCn2cc[nH+]c21)c1cccc(OC)c1 ZINC000080509837 508080087 /nfs/dbraw/zinc/08/00/87/508080087.db2.gz WOTVSZYUMPTBNP-MOPGFXCFSA-N 2 2 370.497 2.968 10 0 FFAELP CC1CC[NH+](CCN2CC[NH+](Cc3cnn(-c4ccccc4)c3)CC2)CC1 ZINC000153813879 508655093 /nfs/dbraw/zinc/65/50/93/508655093.db2.gz GHPMVDVPCXFKCV-UHFFFAOYSA-N 2 2 367.541 2.722 10 0 FFAELP C([NH2+][C@H]1CCO[C@@]2(CCSC2)C1)C1(C[NH+]2CCOCC2)CCCCC1 ZINC000125094012 508930361 /nfs/dbraw/zinc/93/03/61/508930361.db2.gz QVBSPPKANUFHFR-ICSRJNTNSA-N 2 2 368.587 2.913 10 0 FFAELP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2noc(C3CCCCC3)n2)CC1 ZINC000178973561 509208801 /nfs/dbraw/zinc/20/88/01/509208801.db2.gz OYZPMNYYHVTUHV-OAHLLOKOSA-N 2 2 350.507 2.642 10 0 FFAELP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2noc(C3CCCCC3)n2)CC1 ZINC000178973561 509208811 /nfs/dbraw/zinc/20/88/11/509208811.db2.gz OYZPMNYYHVTUHV-OAHLLOKOSA-N 2 2 350.507 2.642 10 0 FFAELP O[C@H](C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C[NH+]1CCCCC1 ZINC000248399102 509294104 /nfs/dbraw/zinc/29/41/04/509294104.db2.gz JPLNTVCZHCQTBN-GSPCLOLRSA-N 3 2 371.569 2.724 10 0 FFAELP O[C@H](C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C[NH+]1CCCCC1 ZINC000248399102 509294107 /nfs/dbraw/zinc/29/41/07/509294107.db2.gz JPLNTVCZHCQTBN-GSPCLOLRSA-N 3 2 371.569 2.724 10 0 FFAELP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000192146701 509372559 /nfs/dbraw/zinc/37/25/59/509372559.db2.gz WHBMUKWDWJMTBQ-OAHLLOKOSA-N 2 2 370.478 2.679 10 0 FFAELP Cc1ccc(OC[C@H](O)C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)cc1 ZINC000248643799 509410691 /nfs/dbraw/zinc/41/06/91/509410691.db2.gz FAKBNTWNSGBIFQ-LEWJYISDSA-N 2 2 369.509 2.584 10 0 FFAELP Cc1ccc(OC[C@H](O)C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)cc1 ZINC000248643799 509410700 /nfs/dbraw/zinc/41/07/00/509410700.db2.gz FAKBNTWNSGBIFQ-LEWJYISDSA-N 2 2 369.509 2.584 10 0 FFAELP Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)cc1 ZINC000248643799 509410706 /nfs/dbraw/zinc/41/07/06/509410706.db2.gz FAKBNTWNSGBIFQ-LEWJYISDSA-N 2 2 369.509 2.584 10 0 FFAELP Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)cc1 ZINC000248643799 509410709 /nfs/dbraw/zinc/41/07/09/509410709.db2.gz FAKBNTWNSGBIFQ-LEWJYISDSA-N 2 2 369.509 2.584 10 0 FFAELP C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248662635 509425984 /nfs/dbraw/zinc/42/59/84/509425984.db2.gz YOIUPYLKSXDQDO-YOUFYPILSA-N 2 2 372.557 2.728 10 0 FFAELP C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248662635 509425988 /nfs/dbraw/zinc/42/59/88/509425988.db2.gz YOIUPYLKSXDQDO-YOUFYPILSA-N 2 2 372.557 2.728 10 0 FFAELP C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248662635 509425993 /nfs/dbraw/zinc/42/59/93/509425993.db2.gz YOIUPYLKSXDQDO-YOUFYPILSA-N 2 2 372.557 2.728 10 0 FFAELP C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248662635 509425996 /nfs/dbraw/zinc/42/59/96/509425996.db2.gz YOIUPYLKSXDQDO-YOUFYPILSA-N 2 2 372.557 2.728 10 0 FFAELP CN(C)c1noc(C2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)n1 ZINC000189536408 509626962 /nfs/dbraw/zinc/62/69/62/509626962.db2.gz QHEKRVBXYOYQSX-UHFFFAOYSA-N 2 2 352.442 2.701 10 0 FFAELP C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000189896152 509815973 /nfs/dbraw/zinc/81/59/73/509815973.db2.gz UWRWLMJJQKDEJN-HZPDHXFCSA-N 2 2 359.495 2.980 10 0 FFAELP C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000189896152 509815975 /nfs/dbraw/zinc/81/59/75/509815975.db2.gz UWRWLMJJQKDEJN-HZPDHXFCSA-N 2 2 359.495 2.980 10 0 FFAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](Cc3nc4ccccc4s3)CC2)C1 ZINC000170941485 509860902 /nfs/dbraw/zinc/86/09/02/509860902.db2.gz RMTSOTIVIGKLFM-KRWDZBQOSA-N 2 2 374.554 2.523 10 0 FFAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](Cc3nc4ccccc4s3)CC2)C1 ZINC000170941485 509860903 /nfs/dbraw/zinc/86/09/03/509860903.db2.gz RMTSOTIVIGKLFM-KRWDZBQOSA-N 2 2 374.554 2.523 10 0 FFAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2ccc(OC)cc2F)nc[nH+]1 ZINC000180576597 509993101 /nfs/dbraw/zinc/99/31/01/509993101.db2.gz KTQTWNOZQAAXQP-ZIAGYGMSSA-N 2 2 359.449 2.986 10 0 FFAELP Cc1cc(NC(=O)[C@H](C)[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)ccc1Br ZINC000193655444 510007839 /nfs/dbraw/zinc/00/78/39/510007839.db2.gz UPUFJGSQEAPPCY-MELADBBJSA-N 2 2 366.303 2.578 10 0 FFAELP Cc1cc(NC(=O)[C@H](C)[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)ccc1Br ZINC000193655444 510007844 /nfs/dbraw/zinc/00/78/44/510007844.db2.gz UPUFJGSQEAPPCY-MELADBBJSA-N 2 2 366.303 2.578 10 0 FFAELP Cc1cc(NC(=O)[C@H](C)[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)ccc1Br ZINC000193655444 510007849 /nfs/dbraw/zinc/00/78/49/510007849.db2.gz UPUFJGSQEAPPCY-MELADBBJSA-N 2 2 366.303 2.578 10 0 FFAELP Cc1cc(NC(=O)[C@H](C)[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)ccc1Br ZINC000193655444 510007854 /nfs/dbraw/zinc/00/78/54/510007854.db2.gz UPUFJGSQEAPPCY-MELADBBJSA-N 2 2 366.303 2.578 10 0 FFAELP O[C@@H](COc1cccc2[nH]ccc21)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000245771409 510139454 /nfs/dbraw/zinc/13/94/54/510139454.db2.gz MSVWCISLALZJJZ-IAGOWNOFSA-N 2 2 366.465 2.737 10 0 FFAELP COC(=O)c1coc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3scnc3C)C2)c1 ZINC000190466240 510146810 /nfs/dbraw/zinc/14/68/10/510146810.db2.gz QWXDPXNHJJRRKD-CQSZACIVSA-N 2 2 363.483 2.785 10 0 FFAELP COC(=O)c1coc(C[N@H+]2CC[C@H](C[NH+](C)Cc3scnc3C)C2)c1 ZINC000190466240 510146819 /nfs/dbraw/zinc/14/68/19/510146819.db2.gz QWXDPXNHJJRRKD-CQSZACIVSA-N 2 2 363.483 2.785 10 0 FFAELP COC(=O)c1coc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3scnc3C)C2)c1 ZINC000190466240 510146833 /nfs/dbraw/zinc/14/68/33/510146833.db2.gz QWXDPXNHJJRRKD-CQSZACIVSA-N 2 2 363.483 2.785 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2C(=O)OC)C1 ZINC000171524109 510207573 /nfs/dbraw/zinc/20/75/73/510207573.db2.gz VIFMRSGJZSXSNC-HNNXBMFYSA-N 2 2 370.453 2.508 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2C(=O)OC)C1 ZINC000171524109 510207581 /nfs/dbraw/zinc/20/75/81/510207581.db2.gz VIFMRSGJZSXSNC-HNNXBMFYSA-N 2 2 370.453 2.508 10 0 FFAELP C[C@H](C(=O)N1CCCN(c2cccc[nH+]2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000184234750 510208422 /nfs/dbraw/zinc/20/84/22/510208422.db2.gz IVORDLWYNVEMAM-GOSISDBHSA-N 2 2 364.493 2.567 10 0 FFAELP C[C@H](C(=O)N1CCCN(c2cccc[nH+]2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000184234750 510208430 /nfs/dbraw/zinc/20/84/30/510208430.db2.gz IVORDLWYNVEMAM-GOSISDBHSA-N 2 2 364.493 2.567 10 0 FFAELP O=S(=O)(CCC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1ccccc1 ZINC000171640940 510270168 /nfs/dbraw/zinc/27/01/68/510270168.db2.gz HDXZNQNVCSWMKH-QGZVFWFLSA-N 2 2 359.495 2.679 10 0 FFAELP O=S(=O)(CCC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1ccccc1 ZINC000171640940 510270175 /nfs/dbraw/zinc/27/01/75/510270175.db2.gz HDXZNQNVCSWMKH-QGZVFWFLSA-N 2 2 359.495 2.679 10 0 FFAELP O[C@H](COc1ccc(Cl)cc1)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171643586 510272518 /nfs/dbraw/zinc/27/25/18/510272518.db2.gz BXEDEIRPSRRKOQ-WBVHZDCISA-N 2 2 361.873 2.909 10 0 FFAELP O[C@H](COc1ccc(Cl)cc1)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171643586 510272524 /nfs/dbraw/zinc/27/25/24/510272524.db2.gz BXEDEIRPSRRKOQ-WBVHZDCISA-N 2 2 361.873 2.909 10 0 FFAELP Cc1ccccc1CN(C)C(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171646092 510275616 /nfs/dbraw/zinc/27/56/16/510275616.db2.gz DKMNTMLDRDCFKF-SFHVURJKSA-N 2 2 352.482 2.782 10 0 FFAELP Cc1ccccc1CN(C)C(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171646092 510275624 /nfs/dbraw/zinc/27/56/24/510275624.db2.gz DKMNTMLDRDCFKF-SFHVURJKSA-N 2 2 352.482 2.782 10 0 FFAELP C[C@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246142008 510317770 /nfs/dbraw/zinc/31/77/70/510317770.db2.gz NXIMVZXPUBTMLU-MJGOQNOKSA-N 2 2 352.482 2.863 10 0 FFAELP Cc1nc(C[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)nc2ccccc12 ZINC000174881604 510363651 /nfs/dbraw/zinc/36/36/51/510363651.db2.gz OXCHJLBMUNMUPC-GOSISDBHSA-N 2 2 353.514 2.540 10 0 FFAELP Cc1nc(C[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)nc2ccccc12 ZINC000174881604 510363655 /nfs/dbraw/zinc/36/36/55/510363655.db2.gz OXCHJLBMUNMUPC-GOSISDBHSA-N 2 2 353.514 2.540 10 0 FFAELP CC(=O)N(c1nc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cs1)C1CC1 ZINC000178310646 510539878 /nfs/dbraw/zinc/53/98/78/510539878.db2.gz QEBXJUKBOZRKRY-QGZVFWFLSA-N 2 2 359.499 2.828 10 0 FFAELP CC(=O)N(c1nc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cs1)C1CC1 ZINC000178310646 510539885 /nfs/dbraw/zinc/53/98/85/510539885.db2.gz QEBXJUKBOZRKRY-QGZVFWFLSA-N 2 2 359.499 2.828 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCCCN1C(=O)c2ccccc2C1=O ZINC000178321623 510544782 /nfs/dbraw/zinc/54/47/82/510544782.db2.gz CAOASVWGIGHPTD-QGZVFWFLSA-N 2 2 366.465 2.732 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCCCN1C(=O)c2ccccc2C1=O ZINC000178321623 510544787 /nfs/dbraw/zinc/54/47/87/510544787.db2.gz CAOASVWGIGHPTD-QGZVFWFLSA-N 2 2 366.465 2.732 10 0 FFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1OC(F)F ZINC000178327204 510548210 /nfs/dbraw/zinc/54/82/10/510548210.db2.gz MXXVRAWGMOYBNX-AWEZNQCLSA-N 2 2 364.396 2.896 10 0 FFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccccc1OC(F)F ZINC000178327204 510548217 /nfs/dbraw/zinc/54/82/17/510548217.db2.gz MXXVRAWGMOYBNX-AWEZNQCLSA-N 2 2 364.396 2.896 10 0 FFAELP CC(C)[N@H+]1C[C@H]([NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)[C@@H](C)C1 ZINC000188230456 510659013 /nfs/dbraw/zinc/65/90/13/510659013.db2.gz YAHMIMZXGMPZKK-QVUWHDNHSA-N 2 2 369.509 2.912 10 0 FFAELP CC(C)[N@@H+]1C[C@H]([NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)[C@@H](C)C1 ZINC000188230456 510659020 /nfs/dbraw/zinc/65/90/20/510659020.db2.gz YAHMIMZXGMPZKK-QVUWHDNHSA-N 2 2 369.509 2.912 10 0 FFAELP C[C@H](C(=O)NC1CCCCC1)[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195277404 510754350 /nfs/dbraw/zinc/75/43/50/510754350.db2.gz AALDEZNBBFMHSQ-IEBWSBKVSA-N 2 2 358.530 2.673 10 0 FFAELP C[C@H](C(=O)NC1CCCCC1)[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195277404 510754357 /nfs/dbraw/zinc/75/43/57/510754357.db2.gz AALDEZNBBFMHSQ-IEBWSBKVSA-N 2 2 358.530 2.673 10 0 FFAELP C[C@H](C(=O)NC1CCCCC1)[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195277404 510754364 /nfs/dbraw/zinc/75/43/64/510754364.db2.gz AALDEZNBBFMHSQ-IEBWSBKVSA-N 2 2 358.530 2.673 10 0 FFAELP C[C@H](C(=O)NC1CCCCC1)[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195277404 510754372 /nfs/dbraw/zinc/75/43/72/510754372.db2.gz AALDEZNBBFMHSQ-IEBWSBKVSA-N 2 2 358.530 2.673 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NCCCNc1ccc(C)c[nH+]1 ZINC000175823613 510809071 /nfs/dbraw/zinc/80/90/71/510809071.db2.gz UNTKNQICWNECJM-QGZVFWFLSA-N 2 2 356.474 2.571 10 0 FFAELP COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c(OC)c1 ZINC000247068217 510824899 /nfs/dbraw/zinc/82/48/99/510824899.db2.gz OLPCEIORJBKVIT-ZBFHGGJFSA-N 2 2 372.469 2.700 10 0 FFAELP COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c(OC)c1 ZINC000247068217 510824905 /nfs/dbraw/zinc/82/49/05/510824905.db2.gz OLPCEIORJBKVIT-ZBFHGGJFSA-N 2 2 372.469 2.700 10 0 FFAELP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1)C2 ZINC000247153318 510846321 /nfs/dbraw/zinc/84/63/21/510846321.db2.gz YOTJMNNQWOYODW-HOTGVXAUSA-N 2 2 361.534 2.732 10 0 FFAELP Cc1ccc2[nH+]c(CSCC(=O)N[C@@H]3C[N@H+](C(C)C)C[C@H]3C)cn2c1 ZINC000247481766 510862510 /nfs/dbraw/zinc/86/25/10/510862510.db2.gz WEOUUDMKQREDSE-NVXWUHKLSA-N 2 2 360.527 2.721 10 0 FFAELP Cc1ccc2[nH+]c(CSCC(=O)N[C@@H]3C[N@@H+](C(C)C)C[C@H]3C)cn2c1 ZINC000247481766 510862511 /nfs/dbraw/zinc/86/25/11/510862511.db2.gz WEOUUDMKQREDSE-NVXWUHKLSA-N 2 2 360.527 2.721 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)N[C@H](C)c2ccccc2OC)C1 ZINC000247557198 510865615 /nfs/dbraw/zinc/86/56/15/510865615.db2.gz FQHFUBWROWXZBT-SJORKVTESA-N 2 2 370.497 2.968 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)N[C@H](C)c2ccccc2OC)C1 ZINC000247557198 510865616 /nfs/dbraw/zinc/86/56/16/510865616.db2.gz FQHFUBWROWXZBT-SJORKVTESA-N 2 2 370.497 2.968 10 0 FFAELP C[C@]1(C[NH2+]C[C@H](O)COCc2ccco2)CCC[N@@H+]1Cc1ccccc1 ZINC000397891058 512950649 /nfs/dbraw/zinc/95/06/49/512950649.db2.gz GGRUTHRVLCAOOE-PZJWPPBQSA-N 2 2 358.482 2.801 10 0 FFAELP C[C@]1(C[NH2+]C[C@H](O)COCc2ccco2)CCC[N@H+]1Cc1ccccc1 ZINC000397891058 512950654 /nfs/dbraw/zinc/95/06/54/512950654.db2.gz GGRUTHRVLCAOOE-PZJWPPBQSA-N 2 2 358.482 2.801 10 0 FFAELP C[C@@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cccs1 ZINC000051759543 249494076 /nfs/dbraw/zinc/49/40/76/249494076.db2.gz UCRCKAIABYJOHS-CQSZACIVSA-N 2 2 350.532 2.667 10 0 FFAELP CC1CCN(c2ccc(CNC(=O)N3CC[N@@H+]4CCCC[C@H]4C3)c[nH+]2)CC1 ZINC000105114948 250198142 /nfs/dbraw/zinc/19/81/42/250198142.db2.gz HOXCMXZXBACAKN-IBGZPJMESA-N 2 2 371.529 2.698 10 0 FFAELP CC1CCN(c2ccc(CNC(=O)N3CC[N@H+]4CCCC[C@H]4C3)c[nH+]2)CC1 ZINC000105114948 250198146 /nfs/dbraw/zinc/19/81/46/250198146.db2.gz HOXCMXZXBACAKN-IBGZPJMESA-N 2 2 371.529 2.698 10 0 FFAELP C[N@H+](CCCOc1ccc(F)cc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000106129828 250239676 /nfs/dbraw/zinc/23/96/76/250239676.db2.gz LAGSAJZPLWTGIO-UHFFFAOYSA-N 2 2 360.477 2.888 10 0 FFAELP C[N@@H+](CCCOc1ccc(F)cc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000106129828 250239680 /nfs/dbraw/zinc/23/96/80/250239680.db2.gz LAGSAJZPLWTGIO-UHFFFAOYSA-N 2 2 360.477 2.888 10 0 FFAELP Cn1cc[nH+]c1CC1CC[NH+](CC(=O)NCc2ccc(Cl)s2)CC1 ZINC000106163313 250245808 /nfs/dbraw/zinc/24/58/08/250245808.db2.gz LWBBWWOFDAHHSU-UHFFFAOYSA-N 2 2 366.918 2.706 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2nnnn2-c2c(C)cccc2C)C1 ZINC000106212213 250255220 /nfs/dbraw/zinc/25/52/20/250255220.db2.gz ZEGMKQOCHXTKJJ-QGZVFWFLSA-N 2 2 365.485 2.875 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2nnnn2-c2c(C)cccc2C)C1 ZINC000106212213 250255225 /nfs/dbraw/zinc/25/52/25/250255225.db2.gz ZEGMKQOCHXTKJJ-QGZVFWFLSA-N 2 2 365.485 2.875 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)N[C@@H](C)c2ccccc2OC)C1 ZINC000106216184 250257079 /nfs/dbraw/zinc/25/70/79/250257079.db2.gz FQHFUBWROWXZBT-IRXDYDNUSA-N 2 2 370.497 2.968 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)N[C@@H](C)c2ccccc2OC)C1 ZINC000106216184 250257081 /nfs/dbraw/zinc/25/70/81/250257081.db2.gz FQHFUBWROWXZBT-IRXDYDNUSA-N 2 2 370.497 2.968 10 0 FFAELP C[C@H]1CCN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)[C@@H](C[NH3+])C1 ZINC000333179668 258254432 /nfs/dbraw/zinc/25/44/32/258254432.db2.gz RQWKFYOLJOIJRO-DZGCQCFKSA-N 2 2 351.520 2.720 10 0 FFAELP C[C@H](CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000106905049 507827142 /nfs/dbraw/zinc/82/71/42/507827142.db2.gz UECWAMVDBQXADP-GCJKJVERSA-N 2 2 365.521 2.722 10 0 FFAELP C[C@H](CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000106905049 507827144 /nfs/dbraw/zinc/82/71/44/507827144.db2.gz UECWAMVDBQXADP-GCJKJVERSA-N 2 2 365.521 2.722 10 0 FFAELP Cc1ccc([C@H](C)NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)o1 ZINC000073503383 507927008 /nfs/dbraw/zinc/92/70/08/507927008.db2.gz OCXOXQXUYULGKT-KRWDZBQOSA-N 2 2 362.518 2.899 10 0 FFAELP C[C@H](c1ccc(F)cc1F)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000109790169 507987226 /nfs/dbraw/zinc/98/72/26/507987226.db2.gz KSCDNEXBFCNLAS-OAHLLOKOSA-N 2 2 365.468 2.902 10 0 FFAELP C[C@@H]1C[C@@H](C)C[NH+](CCCCNc2cc(N3CCC[C@@H]3CO)[nH+]cn2)C1 ZINC000110214907 508014172 /nfs/dbraw/zinc/01/41/72/508014172.db2.gz OLSXPGIKQRSPHB-KZNAEPCWSA-N 2 2 361.534 2.608 10 0 FFAELP C[C@@H]1C[C@@H](C)C[NH+](CCCCNc2cc(N3CCC[C@@H]3CO)nc[nH+]2)C1 ZINC000110214907 508014175 /nfs/dbraw/zinc/01/41/75/508014175.db2.gz OLSXPGIKQRSPHB-KZNAEPCWSA-N 2 2 361.534 2.608 10 0 FFAELP Cn1cc[nH+]c1CC1CC[NH+]([C@H]2CCN(c3ccccc3F)C2=O)CC1 ZINC000112345569 508176802 /nfs/dbraw/zinc/17/68/02/508176802.db2.gz XPQMGRMGMIUZKO-SFHVURJKSA-N 2 2 356.445 2.619 10 0 FFAELP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCO[C@H](Cn2cccn2)C1 ZINC000122264749 508508491 /nfs/dbraw/zinc/50/84/91/508508491.db2.gz LPDJKZWAGGZFON-FQEVSTJZSA-N 2 2 356.514 2.742 10 0 FFAELP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCO[C@H](Cn2cccn2)C1 ZINC000122264749 508508495 /nfs/dbraw/zinc/50/84/95/508508495.db2.gz LPDJKZWAGGZFON-FQEVSTJZSA-N 2 2 356.514 2.742 10 0 FFAELP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000122264749 508508499 /nfs/dbraw/zinc/50/84/99/508508499.db2.gz LPDJKZWAGGZFON-FQEVSTJZSA-N 2 2 356.514 2.742 10 0 FFAELP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000122264749 508508501 /nfs/dbraw/zinc/50/85/01/508508501.db2.gz LPDJKZWAGGZFON-FQEVSTJZSA-N 2 2 356.514 2.742 10 0 FFAELP Cc1ccc([C@@H](C)NC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)o1 ZINC000122442312 508535519 /nfs/dbraw/zinc/53/55/19/508535519.db2.gz BVWQSWRTLUONCV-HRBLRVMOSA-N 2 2 360.502 2.601 10 0 FFAELP Cc1ccc([C@@H](C)NC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)o1 ZINC000122442312 508535522 /nfs/dbraw/zinc/53/55/22/508535522.db2.gz BVWQSWRTLUONCV-HRBLRVMOSA-N 2 2 360.502 2.601 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@H](O)COCc2ccccc2F)C1 ZINC000155226161 508952315 /nfs/dbraw/zinc/95/23/15/508952315.db2.gz XYSHBLFMWCSPOM-ROUUACIJSA-N 2 2 361.461 2.799 10 0 FFAELP O=C1O[C@@H](C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CN1c1ccccc1 ZINC000172770983 509225900 /nfs/dbraw/zinc/22/59/00/509225900.db2.gz MTUDLHKDPQAVGT-AEFFLSMTSA-N 2 2 352.438 2.841 10 0 FFAELP O=C1O[C@@H](C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CN1c1ccccc1 ZINC000172770983 509225905 /nfs/dbraw/zinc/22/59/05/509225905.db2.gz MTUDLHKDPQAVGT-AEFFLSMTSA-N 2 2 352.438 2.841 10 0 FFAELP CC[N@@H+]1CCC[C@H]([NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)C1 ZINC000189074923 509400094 /nfs/dbraw/zinc/40/00/94/509400094.db2.gz KHYCHEVVTYNSBZ-CGZBRXJRSA-N 2 2 355.482 2.668 10 0 FFAELP CC[N@H+]1CCC[C@H]([NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)C1 ZINC000189074923 509400098 /nfs/dbraw/zinc/40/00/98/509400098.db2.gz KHYCHEVVTYNSBZ-CGZBRXJRSA-N 2 2 355.482 2.668 10 0 FFAELP CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000248649123 509415254 /nfs/dbraw/zinc/41/52/54/509415254.db2.gz KPOHVLJMLIYHOP-XIRDDKMYSA-N 2 2 366.575 2.899 10 0 FFAELP CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000248649123 509415260 /nfs/dbraw/zinc/41/52/60/509415260.db2.gz KPOHVLJMLIYHOP-XIRDDKMYSA-N 2 2 366.575 2.899 10 0 FFAELP CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000248649123 509415271 /nfs/dbraw/zinc/41/52/71/509415271.db2.gz KPOHVLJMLIYHOP-XIRDDKMYSA-N 2 2 366.575 2.899 10 0 FFAELP C[C@H](C(=O)NC1CCC(C)CC1)[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248650308 509417624 /nfs/dbraw/zinc/41/76/24/509417624.db2.gz LZCYYBXPRHEMJN-OHWJTAOLSA-N 2 2 372.557 2.919 10 0 FFAELP C[C@H](C(=O)NC1CCC(C)CC1)[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248650308 509417632 /nfs/dbraw/zinc/41/76/32/509417632.db2.gz LZCYYBXPRHEMJN-OHWJTAOLSA-N 2 2 372.557 2.919 10 0 FFAELP C[C@H](C(=O)NC1CCC(C)CC1)[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248650308 509417637 /nfs/dbraw/zinc/41/76/37/509417637.db2.gz LZCYYBXPRHEMJN-OHWJTAOLSA-N 2 2 372.557 2.919 10 0 FFAELP C[C@H](C(=O)NC1CCC(C)CC1)[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248650308 509417643 /nfs/dbraw/zinc/41/76/43/509417643.db2.gz LZCYYBXPRHEMJN-OHWJTAOLSA-N 2 2 372.557 2.919 10 0 FFAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)Cc2ccccc2)C1 ZINC000248659433 509424297 /nfs/dbraw/zinc/42/42/97/509424297.db2.gz VBFYICQMSFHQBQ-MOPGFXCFSA-N 2 2 359.539 2.809 10 0 FFAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)Cc2ccccc2)C1 ZINC000248659433 509424302 /nfs/dbraw/zinc/42/43/02/509424302.db2.gz VBFYICQMSFHQBQ-MOPGFXCFSA-N 2 2 359.539 2.809 10 0 FFAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)Cc2ccccc2)C1 ZINC000248659433 509424307 /nfs/dbraw/zinc/42/43/07/509424307.db2.gz VBFYICQMSFHQBQ-MOPGFXCFSA-N 2 2 359.539 2.809 10 0 FFAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)Cc2ccccc2)C1 ZINC000248659433 509424310 /nfs/dbraw/zinc/42/43/10/509424310.db2.gz VBFYICQMSFHQBQ-MOPGFXCFSA-N 2 2 359.539 2.809 10 0 FFAELP C[N@@H+]1CCO[C@H]([C@@H](NC(=O)c2ccc(C[NH3+])cc2)c2ccc(Cl)cc2)C1 ZINC000248860599 509515674 /nfs/dbraw/zinc/51/56/74/509515674.db2.gz GBBGUEXLCWUPAR-OALUTQOASA-N 2 2 373.884 2.600 10 0 FFAELP C[N@H+]1CCO[C@H]([C@@H](NC(=O)c2ccc(C[NH3+])cc2)c2ccc(Cl)cc2)C1 ZINC000248860599 509515678 /nfs/dbraw/zinc/51/56/78/509515678.db2.gz GBBGUEXLCWUPAR-OALUTQOASA-N 2 2 373.884 2.600 10 0 FFAELP C[C@H](NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173455162 509609292 /nfs/dbraw/zinc/60/92/92/509609292.db2.gz QTPTVWHHVOXXSO-QFBILLFUSA-N 2 2 351.454 2.589 10 0 FFAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2nc3ccccc3n2C)nc[nH+]1 ZINC000180166124 509789346 /nfs/dbraw/zinc/78/93/46/509789346.db2.gz CIBKVNPLWSGOND-HUUCEWRRSA-N 2 2 365.485 2.725 10 0 FFAELP CCO[C@@H](C)c1nc(C[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)cs1 ZINC000177184202 509924458 /nfs/dbraw/zinc/92/44/58/509924458.db2.gz DCUNOMUNOCLZSQ-WMZOPIPTSA-N 2 2 366.575 2.843 10 0 FFAELP CCO[C@@H](C)c1nc(C[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)cs1 ZINC000177184202 509924467 /nfs/dbraw/zinc/92/44/67/509924467.db2.gz DCUNOMUNOCLZSQ-WMZOPIPTSA-N 2 2 366.575 2.843 10 0 FFAELP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000177221888 509944673 /nfs/dbraw/zinc/94/46/73/509944673.db2.gz UWBNUWOGELBLDI-UZLBHIALSA-N 2 2 352.482 2.629 10 0 FFAELP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000177221888 509944683 /nfs/dbraw/zinc/94/46/83/509944683.db2.gz UWBNUWOGELBLDI-UZLBHIALSA-N 2 2 352.482 2.629 10 0 FFAELP C[N@H+]1C[C@@H]2C[NH+](CC(=O)N[C@@H](c3ccc(F)cc3)C3CCCC3)C[C@@H]2C1 ZINC000193608021 509988909 /nfs/dbraw/zinc/98/89/09/509988909.db2.gz BMJFCTLYAFOZGU-LVCYWYKZSA-N 2 2 359.489 2.667 10 0 FFAELP C[N@@H+]1C[C@@H]2C[NH+](CC(=O)N[C@@H](c3ccc(F)cc3)C3CCCC3)C[C@@H]2C1 ZINC000193608021 509988916 /nfs/dbraw/zinc/98/89/16/509988916.db2.gz BMJFCTLYAFOZGU-LVCYWYKZSA-N 2 2 359.489 2.667 10 0 FFAELP C[NH+]1C[C@@H]2C[N@@H+](CC(=O)N[C@@H](c3ccc(F)cc3)C3CCCC3)C[C@@H]2C1 ZINC000193608021 509988923 /nfs/dbraw/zinc/98/89/23/509988923.db2.gz BMJFCTLYAFOZGU-LVCYWYKZSA-N 2 2 359.489 2.667 10 0 FFAELP C[NH+]1C[C@@H]2C[N@H+](CC(=O)N[C@@H](c3ccc(F)cc3)C3CCCC3)C[C@@H]2C1 ZINC000193608021 509988930 /nfs/dbraw/zinc/98/89/30/509988930.db2.gz BMJFCTLYAFOZGU-LVCYWYKZSA-N 2 2 359.489 2.667 10 0 FFAELP C[C@H](CC(=O)N(C)C)[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245590414 510024210 /nfs/dbraw/zinc/02/42/10/510024210.db2.gz KWGCVALBGOHERT-IAISJRAMSA-N 2 2 355.885 2.928 10 0 FFAELP C[C@H](CC(=O)N(C)C)[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245590414 510024217 /nfs/dbraw/zinc/02/42/17/510024217.db2.gz KWGCVALBGOHERT-IAISJRAMSA-N 2 2 355.885 2.928 10 0 FFAELP CC[NH+]1CCN([C@H]2CC[N@H+](C[C@@H](O)c3ccc(Cl)cc3Cl)C2)CC1 ZINC000245628472 510048493 /nfs/dbraw/zinc/04/84/93/510048493.db2.gz GZZZHEUJMQYBIS-MAUKXSAKSA-N 2 2 372.340 2.739 10 0 FFAELP CC[NH+]1CCN([C@H]2CC[N@@H+](C[C@@H](O)c3ccc(Cl)cc3Cl)C2)CC1 ZINC000245628472 510048500 /nfs/dbraw/zinc/04/85/00/510048500.db2.gz GZZZHEUJMQYBIS-MAUKXSAKSA-N 2 2 372.340 2.739 10 0 FFAELP CCn1cc[nH+]c1CN1CCC([N@H+](CC)CC(=O)OC(C)(C)C)CC1 ZINC000190349507 510079028 /nfs/dbraw/zinc/07/90/28/510079028.db2.gz WRYDHHVTNPLOTH-UHFFFAOYSA-N 2 2 350.507 2.531 10 0 FFAELP CCn1cc[nH+]c1CN1CCC([N@@H+](CC)CC(=O)OC(C)(C)C)CC1 ZINC000190349507 510079036 /nfs/dbraw/zinc/07/90/36/510079036.db2.gz WRYDHHVTNPLOTH-UHFFFAOYSA-N 2 2 350.507 2.531 10 0 FFAELP C[C@H](C(=O)Nc1c(F)cccc1F)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000171502876 510196895 /nfs/dbraw/zinc/19/68/95/510196895.db2.gz HSBAWTGNKFFRRU-CYBMUJFWSA-N 2 2 362.424 2.980 10 0 FFAELP O=c1cc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c2ccc(O)cc2o1 ZINC000171646628 510274865 /nfs/dbraw/zinc/27/48/65/510274865.db2.gz QOEWPIONNYVLFH-CQSZACIVSA-N 2 2 351.406 2.828 10 0 FFAELP O=c1cc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c2ccc(O)cc2o1 ZINC000171646628 510274871 /nfs/dbraw/zinc/27/48/71/510274871.db2.gz QOEWPIONNYVLFH-CQSZACIVSA-N 2 2 351.406 2.828 10 0 FFAELP C[C@@H](C(=O)NCCc1ccc(F)cc1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171646146 510275998 /nfs/dbraw/zinc/27/59/98/510275998.db2.gz AKKLWGFGMDCJSN-FUHWJXTLSA-N 2 2 370.472 2.702 10 0 FFAELP C[C@@H](C(=O)NCCc1ccc(F)cc1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171646146 510276005 /nfs/dbraw/zinc/27/60/05/510276005.db2.gz AKKLWGFGMDCJSN-FUHWJXTLSA-N 2 2 370.472 2.702 10 0 FFAELP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)NCc3cc(F)cc(F)c3)C2)[nH+]1 ZINC000171649166 510277310 /nfs/dbraw/zinc/27/73/10/510277310.db2.gz QTYRGZIDZRJGIC-HNNXBMFYSA-N 2 2 374.435 2.718 10 0 FFAELP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)NCc3cc(F)cc(F)c3)C2)[nH+]1 ZINC000171649166 510277324 /nfs/dbraw/zinc/27/73/24/510277324.db2.gz QTYRGZIDZRJGIC-HNNXBMFYSA-N 2 2 374.435 2.718 10 0 FFAELP COc1ccccc1CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246090593 510285788 /nfs/dbraw/zinc/28/57/88/510285788.db2.gz GFXBLXFIPDHGED-SJORKVTESA-N 2 2 368.481 2.529 10 0 FFAELP COc1ccccc1CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246090593 510285798 /nfs/dbraw/zinc/28/57/98/510285798.db2.gz GFXBLXFIPDHGED-SJORKVTESA-N 2 2 368.481 2.529 10 0 FFAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCCC[C@H]3c3cn[nH]c3)c2cc1C ZINC000246317314 510423801 /nfs/dbraw/zinc/42/38/01/510423801.db2.gz DVJULZVEIIJKOB-MJGOQNOKSA-N 2 2 353.470 2.964 10 0 FFAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCCC[C@H]3c3cn[nH]c3)c2cc1C ZINC000246317314 510423806 /nfs/dbraw/zinc/42/38/06/510423806.db2.gz DVJULZVEIIJKOB-MJGOQNOKSA-N 2 2 353.470 2.964 10 0 FFAELP C[C@H](c1ccc(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1)[NH+]1CCOCC1 ZINC000246650166 510600469 /nfs/dbraw/zinc/60/04/69/510600469.db2.gz FRXLFNDMCTZBOD-XLIONFOSSA-N 2 2 372.513 2.782 10 0 FFAELP C[C@H](c1ccc(NC(=O)N2CC[N@H+]3CCCC[C@H]3C2)cc1)[NH+]1CCOCC1 ZINC000246650166 510600477 /nfs/dbraw/zinc/60/04/77/510600477.db2.gz FRXLFNDMCTZBOD-XLIONFOSSA-N 2 2 372.513 2.782 10 0 FFAELP COc1ccc([C@@H]2CCCN2C(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000246742380 510648103 /nfs/dbraw/zinc/64/81/03/510648103.db2.gz MUOGJIKLAIOQAO-POAQFYNOSA-N 2 2 359.514 2.773 10 0 FFAELP COc1ccc([C@@H]2CCCN2C(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000246742380 510648115 /nfs/dbraw/zinc/64/81/15/510648115.db2.gz MUOGJIKLAIOQAO-POAQFYNOSA-N 2 2 359.514 2.773 10 0 FFAELP COc1ccc([C@@H]2CCCN2C(=O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000246742380 510648126 /nfs/dbraw/zinc/64/81/26/510648126.db2.gz MUOGJIKLAIOQAO-POAQFYNOSA-N 2 2 359.514 2.773 10 0 FFAELP COc1ccc([C@@H]2CCCN2C(=O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000246742380 510648136 /nfs/dbraw/zinc/64/81/36/510648136.db2.gz MUOGJIKLAIOQAO-POAQFYNOSA-N 2 2 359.514 2.773 10 0 FFAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](Cc3cc4ccccc4o3)CC2)C1 ZINC000178529844 510649690 /nfs/dbraw/zinc/64/96/90/510649690.db2.gz ZMAUFWCWGIGXKB-HXUWFJFHSA-N 2 2 357.498 2.660 10 0 FFAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](Cc3cc4ccccc4o3)CC2)C1 ZINC000178529844 510649700 /nfs/dbraw/zinc/64/97/00/510649700.db2.gz ZMAUFWCWGIGXKB-HXUWFJFHSA-N 2 2 357.498 2.660 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@@H](O)COCc2ccccc2F)C1 ZINC000246758199 510657061 /nfs/dbraw/zinc/65/70/61/510657061.db2.gz XYSHBLFMWCSPOM-QZTJIDSGSA-N 2 2 361.461 2.799 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@@H](O)COCc2ccccc2F)C1 ZINC000246758199 510657065 /nfs/dbraw/zinc/65/70/65/510657065.db2.gz XYSHBLFMWCSPOM-QZTJIDSGSA-N 2 2 361.461 2.799 10 0 FFAELP Cc1ccc(CNC(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1F ZINC000246801160 510682002 /nfs/dbraw/zinc/68/20/02/510682002.db2.gz MWBYNTFUROTTHW-FXAWDEMLSA-N 2 2 359.489 2.699 10 0 FFAELP Cc1ccc(CNC(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1F ZINC000246801160 510682006 /nfs/dbraw/zinc/68/20/06/510682006.db2.gz MWBYNTFUROTTHW-FXAWDEMLSA-N 2 2 359.489 2.699 10 0 FFAELP Cc1ccc(CNC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1F ZINC000246801160 510682011 /nfs/dbraw/zinc/68/20/11/510682011.db2.gz MWBYNTFUROTTHW-FXAWDEMLSA-N 2 2 359.489 2.699 10 0 FFAELP Cc1ccc(CNC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1F ZINC000246801160 510682013 /nfs/dbraw/zinc/68/20/13/510682013.db2.gz MWBYNTFUROTTHW-FXAWDEMLSA-N 2 2 359.489 2.699 10 0 FFAELP C[C@@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1ccc(F)c(Cl)c1 ZINC000175678218 510730526 /nfs/dbraw/zinc/73/05/26/510730526.db2.gz PKVDPDAYABCCMW-CYBMUJFWSA-N 2 2 370.900 2.865 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)c2nnnn2-c2ccccc2)C1 ZINC000246911731 510741860 /nfs/dbraw/zinc/74/18/60/510741860.db2.gz AFKSCYREEWVHOQ-NVXWUHKLSA-N 2 2 351.458 2.819 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)c2nnnn2-c2ccccc2)C1 ZINC000246911731 510741866 /nfs/dbraw/zinc/74/18/66/510741866.db2.gz AFKSCYREEWVHOQ-NVXWUHKLSA-N 2 2 351.458 2.819 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccnn1C1CCCC1 ZINC000178748622 510751372 /nfs/dbraw/zinc/75/13/72/510751372.db2.gz TVPCVEJRQXZBMI-QGZVFWFLSA-N 2 2 356.474 2.606 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)Nc1ccnn1C1CCCC1 ZINC000178748622 510751383 /nfs/dbraw/zinc/75/13/83/510751383.db2.gz TVPCVEJRQXZBMI-QGZVFWFLSA-N 2 2 356.474 2.606 10 0 FFAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@H](O)CCc2ccccc2)C1 ZINC000195282328 510757491 /nfs/dbraw/zinc/75/74/91/510757491.db2.gz QOMKAMLAPODAGN-FGZHOGPDSA-N 2 2 353.510 2.829 10 0 FFAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@H](O)CCc2ccccc2)C1 ZINC000195282328 510757500 /nfs/dbraw/zinc/75/75/00/510757500.db2.gz QOMKAMLAPODAGN-FGZHOGPDSA-N 2 2 353.510 2.829 10 0 FFAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](C[C@H](O)CCc2ccccc2)C1 ZINC000195282328 510757509 /nfs/dbraw/zinc/75/75/09/510757509.db2.gz QOMKAMLAPODAGN-FGZHOGPDSA-N 2 2 353.510 2.829 10 0 FFAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](C[C@H](O)CCc2ccccc2)C1 ZINC000195282328 510757516 /nfs/dbraw/zinc/75/75/16/510757516.db2.gz QOMKAMLAPODAGN-FGZHOGPDSA-N 2 2 353.510 2.829 10 0 FFAELP CN(C)C(=O)c1cccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000195293551 510765839 /nfs/dbraw/zinc/76/58/39/510765839.db2.gz KYSQISRZBGQMSN-HXUWFJFHSA-N 2 2 366.509 2.737 10 0 FFAELP CN(C)C(=O)c1cccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000195293551 510765844 /nfs/dbraw/zinc/76/58/44/510765844.db2.gz KYSQISRZBGQMSN-HXUWFJFHSA-N 2 2 366.509 2.737 10 0 FFAELP CN(C)C(=O)c1cccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)c1 ZINC000195293551 510765852 /nfs/dbraw/zinc/76/58/52/510765852.db2.gz KYSQISRZBGQMSN-HXUWFJFHSA-N 2 2 366.509 2.737 10 0 FFAELP CN(C)C(=O)c1cccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)c1 ZINC000195293551 510765859 /nfs/dbraw/zinc/76/58/59/510765859.db2.gz KYSQISRZBGQMSN-HXUWFJFHSA-N 2 2 366.509 2.737 10 0 FFAELP Cc1cc(N2CCC(c3nnc4n3CC[NH2+]C4)CC2)c2cc(F)ccc2[nH+]1 ZINC000333489317 511261338 /nfs/dbraw/zinc/26/13/38/511261338.db2.gz GNLRMLVDKQIZCB-UHFFFAOYSA-N 2 2 366.444 2.761 10 0 FFAELP Cn1nccc1[C@H]1[C@H](C[NH2+]CC2=Cc3ccccc3OC2)CCC[N@@H+]1C ZINC000284682809 511823378 /nfs/dbraw/zinc/82/33/78/511823378.db2.gz XIGAUEKOSBMYQL-GHTZIAJQSA-N 2 2 352.482 2.869 10 0 FFAELP Cn1nccc1[C@H]1[C@H](C[NH2+]CC2=Cc3ccccc3OC2)CCC[N@H+]1C ZINC000284682809 511823379 /nfs/dbraw/zinc/82/33/79/511823379.db2.gz XIGAUEKOSBMYQL-GHTZIAJQSA-N 2 2 352.482 2.869 10 0 FFAELP O[C@H](C[NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)COCc1ccco1 ZINC000379648087 512870690 /nfs/dbraw/zinc/87/06/90/512870690.db2.gz LXSDMCNFHXPLKP-VQTJNVASSA-N 2 2 358.482 2.801 10 0 FFAELP O[C@H](C[NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1)COCc1ccco1 ZINC000379648087 512870697 /nfs/dbraw/zinc/87/06/97/512870697.db2.gz LXSDMCNFHXPLKP-VQTJNVASSA-N 2 2 358.482 2.801 10 0 FFAELP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc[nH+]c(NC[C@@H]2CCCn3cc[nH+]c32)n1 ZINC000333243915 1007422825 /nfs/dbraw/zinc/42/28/25/1007422825.db2.gz IYFPWPAYUXLLSI-BQFCYCMXSA-N 2 2 370.501 3.278 10 0 FFAELP c1ccc(NC[C@@H]2CC[N@H+](Cc3ccccc3N3CCOCC3)C2)[nH+]c1 ZINC000092812842 250002555 /nfs/dbraw/zinc/00/25/55/250002555.db2.gz SIWUBCSSDRNRLD-SFHVURJKSA-N 2 2 352.482 2.852 10 0 FFAELP c1ccc(NC[C@@H]2CC[N@@H+](Cc3ccccc3N3CCOCC3)C2)[nH+]c1 ZINC000092812842 250002556 /nfs/dbraw/zinc/00/25/56/250002556.db2.gz SIWUBCSSDRNRLD-SFHVURJKSA-N 2 2 352.482 2.852 10 0 FFAELP Cn1cc[nH+]c1[C@@H](NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1cccc(F)c1 ZINC000105095595 250198982 /nfs/dbraw/zinc/19/89/82/250198982.db2.gz AJXGBVLFEBLUSO-MSOLQXFVSA-N 2 2 371.460 2.528 10 0 FFAELP Cn1cc[nH+]c1[C@@H](NC(=O)N1CC[N@H+]2CCCC[C@@H]2C1)c1cccc(F)c1 ZINC000105095595 250198986 /nfs/dbraw/zinc/19/89/86/250198986.db2.gz AJXGBVLFEBLUSO-MSOLQXFVSA-N 2 2 371.460 2.528 10 0 FFAELP COc1ccc([C@@H]2CCCN2C(=O)C[N@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000181085939 251239598 /nfs/dbraw/zinc/23/95/98/251239598.db2.gz QFEZATIZBOJLDP-IBGZPJMESA-N 2 2 356.470 2.577 10 0 FFAELP COc1ccc([C@@H]2CCCN2C(=O)C[N@@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000181085939 251239604 /nfs/dbraw/zinc/23/96/04/251239604.db2.gz QFEZATIZBOJLDP-IBGZPJMESA-N 2 2 356.470 2.577 10 0 FFAELP CCOC(=O)c1c[nH+]c2ccc(OC)cc2c1N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000301685047 258063139 /nfs/dbraw/zinc/06/31/39/258063139.db2.gz UGJVNHWVYKJRJO-FZKQIMNGSA-N 2 2 357.454 2.806 10 0 FFAELP C[C@@H]1CCCN(c2cc(NC3CC[NH+]([C@H]4CCCC[C@@H]4O)CC3)nc[nH+]2)C1 ZINC000301718245 258064124 /nfs/dbraw/zinc/06/41/24/258064124.db2.gz YRHQZTBUGLNSTC-NEWSRXKRSA-N 2 2 373.545 2.893 10 0 FFAELP C[C@@H]1CCCN(c2cc(NC3CC[NH+]([C@H]4CCCC[C@@H]4O)CC3)[nH+]cn2)C1 ZINC000301718245 258064125 /nfs/dbraw/zinc/06/41/25/258064125.db2.gz YRHQZTBUGLNSTC-NEWSRXKRSA-N 2 2 373.545 2.893 10 0 FFAELP Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)CCC2 ZINC000332754087 258241851 /nfs/dbraw/zinc/24/18/51/258241851.db2.gz JLYIFGSTWZEUCK-GBESFXJTSA-N 2 2 367.497 2.814 10 0 FFAELP Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)CCC2 ZINC000332754087 258241852 /nfs/dbraw/zinc/24/18/52/258241852.db2.gz JLYIFGSTWZEUCK-GBESFXJTSA-N 2 2 367.497 2.814 10 0 FFAELP O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107830008 507868943 /nfs/dbraw/zinc/86/89/43/507868943.db2.gz AMOTWMAUIUCMPH-IBGZPJMESA-N 2 2 371.529 2.842 10 0 FFAELP Cc1ccc([C@@H](C)NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)o1 ZINC000073503382 507927356 /nfs/dbraw/zinc/92/73/56/507927356.db2.gz OCXOXQXUYULGKT-QGZVFWFLSA-N 2 2 362.518 2.899 10 0 FFAELP CC[NH+](CC)Cc1ccccc1CNc1cc(N2CCC[C@H]2CO)nc[nH+]1 ZINC000110123748 508008849 /nfs/dbraw/zinc/00/88/49/508008849.db2.gz UICXFRJVGLPUSH-IBGZPJMESA-N 2 2 369.513 2.892 10 0 FFAELP CC[NH+](CC)Cc1ccccc1CNc1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000110123748 508008852 /nfs/dbraw/zinc/00/88/52/508008852.db2.gz UICXFRJVGLPUSH-IBGZPJMESA-N 2 2 369.513 2.892 10 0 FFAELP Cc1[nH+]cc(CN2CCC([N@H+]3CCO[C@H](C)C3)CC2)n1-c1ccccc1 ZINC000092079381 508041504 /nfs/dbraw/zinc/04/15/04/508041504.db2.gz ZYCRPHOKRRTDHM-QGZVFWFLSA-N 2 2 354.498 2.866 10 0 FFAELP Cc1[nH+]cc(CN2CCC([N@@H+]3CCO[C@H](C)C3)CC2)n1-c1ccccc1 ZINC000092079381 508041507 /nfs/dbraw/zinc/04/15/07/508041507.db2.gz ZYCRPHOKRRTDHM-QGZVFWFLSA-N 2 2 354.498 2.866 10 0 FFAELP CN(Cc1ccc(F)cc1)C(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000114717164 508340665 /nfs/dbraw/zinc/34/06/65/508340665.db2.gz QCZSVNJWWSBZMI-KRWDZBQOSA-N 2 2 356.445 2.613 10 0 FFAELP CN(Cc1ccc(F)cc1)C(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000114717164 508340668 /nfs/dbraw/zinc/34/06/68/508340668.db2.gz QCZSVNJWWSBZMI-KRWDZBQOSA-N 2 2 356.445 2.613 10 0 FFAELP O=C(Nc1ccccc1C[NH+]1CCSCC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105025546 508357653 /nfs/dbraw/zinc/35/76/53/508357653.db2.gz LUTLGGKBEOTRDU-GOSISDBHSA-N 2 2 374.554 2.937 10 0 FFAELP O=C(Nc1ccccc1C[NH+]1CCSCC1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000105025546 508357654 /nfs/dbraw/zinc/35/76/54/508357654.db2.gz LUTLGGKBEOTRDU-GOSISDBHSA-N 2 2 374.554 2.937 10 0 FFAELP Cc1cccc2[nH+]c(CNC(=O)N3CCC(Cc4[nH+]ccn4C)CC3)cn21 ZINC000127775745 508498863 /nfs/dbraw/zinc/49/88/63/508498863.db2.gz IMAIJDFVUMKFBO-UHFFFAOYSA-N 2 2 366.469 2.541 10 0 FFAELP C[C@@H]1CC[C@@H](NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c2ccccc21 ZINC000153104050 508548377 /nfs/dbraw/zinc/54/83/77/508548377.db2.gz PJVACDRKRYMBGL-OXQOHEQNSA-N 2 2 358.530 2.950 10 0 FFAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2[nH+]ccn2CCc2ccccc2)C1 ZINC000122975009 508616565 /nfs/dbraw/zinc/61/65/65/508616565.db2.gz KUSYGMMDPGAPOY-MJGOQNOKSA-N 2 2 369.513 2.654 10 0 FFAELP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2[nH+]ccn2CCc2ccccc2)C1 ZINC000122975009 508616567 /nfs/dbraw/zinc/61/65/67/508616567.db2.gz KUSYGMMDPGAPOY-MJGOQNOKSA-N 2 2 369.513 2.654 10 0 FFAELP Cc1oc2nc(C[NH+]3CCC(Cc4[nH+]ccn4C)CC3)nc(N)c2c1C ZINC000153823094 508656339 /nfs/dbraw/zinc/65/63/39/508656339.db2.gz NWEAUWISBPSXQT-UHFFFAOYSA-N 2 2 354.458 2.610 10 0 FFAELP CC(=O)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000154566775 508811241 /nfs/dbraw/zinc/81/12/41/508811241.db2.gz NWOJZSPQHHGIBK-YOEHRIQHSA-N 2 2 354.454 2.886 10 0 FFAELP CC(=O)c1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000154566775 508811245 /nfs/dbraw/zinc/81/12/45/508811245.db2.gz NWOJZSPQHHGIBK-YOEHRIQHSA-N 2 2 354.454 2.886 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@H](O)COc1cccc2[nH]ccc21 ZINC000133073219 509112565 /nfs/dbraw/zinc/11/25/65/509112565.db2.gz COUGSWXRYACNCL-SJORKVTESA-N 2 2 354.454 2.577 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@H](O)COc1cccc2[nH]ccc21 ZINC000133073219 509112568 /nfs/dbraw/zinc/11/25/68/509112568.db2.gz COUGSWXRYACNCL-SJORKVTESA-N 2 2 354.454 2.577 10 0 FFAELP Cc1cc2[nH+]cn(C[C@H](O)C[NH+]3CCC(c4cc[nH]n4)CC3)c2cc1C ZINC000195507189 509198857 /nfs/dbraw/zinc/19/88/57/509198857.db2.gz WYUWLPXGYYRKEZ-QGZVFWFLSA-N 2 2 353.470 2.617 10 0 FFAELP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000176182599 509363818 /nfs/dbraw/zinc/36/38/18/509363818.db2.gz YLTHTFDQWOOJBW-KRWDZBQOSA-N 2 2 352.442 2.522 10 0 FFAELP CC[N@@H+]1CCC[C@@H]([NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)C1 ZINC000189074949 509399881 /nfs/dbraw/zinc/39/98/81/509399881.db2.gz KHYCHEVVTYNSBZ-AQFXKWCLSA-N 2 2 355.482 2.668 10 0 FFAELP CC[N@H+]1CCC[C@@H]([NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)C1 ZINC000189074949 509399889 /nfs/dbraw/zinc/39/98/89/509399889.db2.gz KHYCHEVVTYNSBZ-AQFXKWCLSA-N 2 2 355.482 2.668 10 0 FFAELP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248637949 509406011 /nfs/dbraw/zinc/40/60/11/509406011.db2.gz AQHDSZIAUFSMPJ-JYRKZWEQSA-N 2 2 372.557 2.919 10 0 FFAELP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248637949 509406017 /nfs/dbraw/zinc/40/60/17/509406017.db2.gz AQHDSZIAUFSMPJ-JYRKZWEQSA-N 2 2 372.557 2.919 10 0 FFAELP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248637949 509406026 /nfs/dbraw/zinc/40/60/26/509406026.db2.gz AQHDSZIAUFSMPJ-JYRKZWEQSA-N 2 2 372.557 2.919 10 0 FFAELP C[C@H](C(=O)Nc1ccccc1)[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248651302 509418668 /nfs/dbraw/zinc/41/86/68/509418668.db2.gz MRULKELBNYWTAR-MJGOQNOKSA-N 2 2 352.482 2.863 10 0 FFAELP C[C@H](C(=O)Nc1ccccc1)[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248651302 509418678 /nfs/dbraw/zinc/41/86/78/509418678.db2.gz MRULKELBNYWTAR-MJGOQNOKSA-N 2 2 352.482 2.863 10 0 FFAELP C[C@H](C(=O)Nc1ccccc1)[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248651302 509418686 /nfs/dbraw/zinc/41/86/86/509418686.db2.gz MRULKELBNYWTAR-MJGOQNOKSA-N 2 2 352.482 2.863 10 0 FFAELP COc1ccc(C[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)cc1Cl ZINC000182887487 509477722 /nfs/dbraw/zinc/47/77/22/509477722.db2.gz DCPZEOARNPGRRW-QGZVFWFLSA-N 2 2 351.922 2.951 10 0 FFAELP C[NH+](C)Cc1cccc(NC(=O)N2CCCN(c3cccc[nH+]3)CC2)c1 ZINC000186037945 509494448 /nfs/dbraw/zinc/49/44/48/509494448.db2.gz DOCFWIJWGMAWRG-UHFFFAOYSA-N 2 2 353.470 2.887 10 0 FFAELP C[C@H](NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173455135 509610031 /nfs/dbraw/zinc/61/00/31/509610031.db2.gz QTPTVWHHVOXXSO-LPHOPBHVSA-N 2 2 351.454 2.589 10 0 FFAELP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1nc2ccc(Cl)cc2n1C ZINC000180044534 509722166 /nfs/dbraw/zinc/72/21/66/509722166.db2.gz MIGKLJGEMUCRHU-UKRRQHHQSA-N 2 2 350.894 2.724 10 0 FFAELP CCO[C@H](C)c1nc(C[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)cs1 ZINC000177184218 509924945 /nfs/dbraw/zinc/92/49/45/509924945.db2.gz DCUNOMUNOCLZSQ-AEFFLSMTSA-N 2 2 366.575 2.843 10 0 FFAELP CCO[C@H](C)c1nc(C[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)cs1 ZINC000177184218 509924951 /nfs/dbraw/zinc/92/49/51/509924951.db2.gz DCUNOMUNOCLZSQ-AEFFLSMTSA-N 2 2 366.575 2.843 10 0 FFAELP COCCn1c(C)cc(C(=O)C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1C ZINC000245556755 510004218 /nfs/dbraw/zinc/00/42/18/510004218.db2.gz ANYIRMIBPFLBFD-BEFAXECRSA-N 2 2 358.486 2.714 10 0 FFAELP COCCn1c(C)cc(C(=O)C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1C ZINC000245556755 510004224 /nfs/dbraw/zinc/00/42/24/510004224.db2.gz ANYIRMIBPFLBFD-BEFAXECRSA-N 2 2 358.486 2.714 10 0 FFAELP COc1ccccc1CNC(=O)C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180648012 510032535 /nfs/dbraw/zinc/03/25/35/510032535.db2.gz TZQJBQXBNFVDFC-MRXNPFEDSA-N 2 2 364.449 2.848 10 0 FFAELP COc1cccc(CNC(=O)C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000180671887 510046045 /nfs/dbraw/zinc/04/60/45/510046045.db2.gz ZWHUOMKFBZEBJP-MRXNPFEDSA-N 2 2 364.449 2.848 10 0 FFAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](Cc3ccc([C@@H]4C[C@H]4C)o3)CC2)C1 ZINC000245769635 510136897 /nfs/dbraw/zinc/13/68/97/510136897.db2.gz RNZLSGVHJVNGSL-YZGWKJHDSA-N 2 2 361.530 2.630 10 0 FFAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](Cc3ccc([C@@H]4C[C@H]4C)o3)CC2)C1 ZINC000245769635 510136901 /nfs/dbraw/zinc/13/69/01/510136901.db2.gz RNZLSGVHJVNGSL-YZGWKJHDSA-N 2 2 361.530 2.630 10 0 FFAELP C[C@H](CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C)[N@@H+]1CCc2sccc2C1 ZINC000171608369 510250307 /nfs/dbraw/zinc/25/03/07/510250307.db2.gz VFGDTIPPTGWMKU-APWZRJJASA-N 2 2 371.550 2.784 10 0 FFAELP C[C@H](CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C)[N@H+]1CCc2sccc2C1 ZINC000171608369 510250316 /nfs/dbraw/zinc/25/03/16/510250316.db2.gz VFGDTIPPTGWMKU-APWZRJJASA-N 2 2 371.550 2.784 10 0 FFAELP Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000171640729 510269416 /nfs/dbraw/zinc/26/94/16/510269416.db2.gz ZAISUNBEEUESTC-RTBURBONSA-N 2 2 355.482 2.872 10 0 FFAELP Cc1ccc(C)c(OC[C@H](O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000171640729 510269428 /nfs/dbraw/zinc/26/94/28/510269428.db2.gz ZAISUNBEEUESTC-RTBURBONSA-N 2 2 355.482 2.872 10 0 FFAELP COc1ccccc1CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171644301 510271589 /nfs/dbraw/zinc/27/15/89/510271589.db2.gz GFXBLXFIPDHGED-IAGOWNOFSA-N 2 2 368.481 2.529 10 0 FFAELP COc1ccccc1CNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171644301 510271596 /nfs/dbraw/zinc/27/15/96/510271596.db2.gz GFXBLXFIPDHGED-IAGOWNOFSA-N 2 2 368.481 2.529 10 0 FFAELP COc1ccc(C)cc1NC(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171648127 510277291 /nfs/dbraw/zinc/27/72/91/510277291.db2.gz IMJJHEIFAYTOFH-MRXNPFEDSA-N 2 2 354.454 2.771 10 0 FFAELP COc1ccc(C)cc1NC(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171648127 510277300 /nfs/dbraw/zinc/27/73/00/510277300.db2.gz IMJJHEIFAYTOFH-MRXNPFEDSA-N 2 2 354.454 2.771 10 0 FFAELP O=C(C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)NCCc1ccc(Cl)cc1 ZINC000171647367 510277775 /nfs/dbraw/zinc/27/77/75/510277775.db2.gz BOOVFEYFSCFCBZ-KRWDZBQOSA-N 2 2 372.900 2.828 10 0 FFAELP O=C(C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)NCCc1ccc(Cl)cc1 ZINC000171647367 510277783 /nfs/dbraw/zinc/27/77/83/510277783.db2.gz BOOVFEYFSCFCBZ-KRWDZBQOSA-N 2 2 372.900 2.828 10 0 FFAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+](C)[C@H](C)C(=O)OC(C)(C)C)c2cc1C ZINC000246116004 510302943 /nfs/dbraw/zinc/30/29/43/510302943.db2.gz CMDPJFLIZMCOCM-CVEARBPZSA-N 2 2 361.486 2.676 10 0 FFAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+](C)[C@H](C)C(=O)OC(C)(C)C)c2cc1C ZINC000246116004 510302948 /nfs/dbraw/zinc/30/29/48/510302948.db2.gz CMDPJFLIZMCOCM-CVEARBPZSA-N 2 2 361.486 2.676 10 0 FFAELP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000181283698 510339075 /nfs/dbraw/zinc/33/90/75/510339075.db2.gz UNIHAIYWELZKHS-MPGHIAIKSA-N 2 2 363.502 2.739 10 0 FFAELP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@H]2C[N@H+](C(C)C)C[C@@H]2C)c1 ZINC000181283698 510339081 /nfs/dbraw/zinc/33/90/81/510339081.db2.gz UNIHAIYWELZKHS-MPGHIAIKSA-N 2 2 363.502 2.739 10 0 FFAELP CCn1c2cccc(F)c2nc1C[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000174890934 510370773 /nfs/dbraw/zinc/37/07/73/510370773.db2.gz MPYSXXZZYFVMDT-QGZVFWFLSA-N 2 2 373.520 2.797 10 0 FFAELP CCn1c2cccc(F)c2nc1C[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000174890934 510370779 /nfs/dbraw/zinc/37/07/79/510370779.db2.gz MPYSXXZZYFVMDT-QGZVFWFLSA-N 2 2 373.520 2.797 10 0 FFAELP C[C@@H](CCNc1cc(N2CCC[C@@H]2CO)nc[nH+]1)[N@H+](C)Cc1ccccc1 ZINC000175161321 510511189 /nfs/dbraw/zinc/51/11/89/510511189.db2.gz IHCBLLCAYXMMSY-PKOBYXMFSA-N 2 2 369.513 2.760 10 0 FFAELP C[C@@H](CCNc1cc(N2CCC[C@@H]2CO)nc[nH+]1)[N@@H+](C)Cc1ccccc1 ZINC000175161321 510511193 /nfs/dbraw/zinc/51/11/93/510511193.db2.gz IHCBLLCAYXMMSY-PKOBYXMFSA-N 2 2 369.513 2.760 10 0 FFAELP C[C@@H](CCNc1cc(N2CCC[C@@H]2CO)[nH+]cn1)[N@H+](C)Cc1ccccc1 ZINC000175161321 510511196 /nfs/dbraw/zinc/51/11/96/510511196.db2.gz IHCBLLCAYXMMSY-PKOBYXMFSA-N 2 2 369.513 2.760 10 0 FFAELP C[C@@H](CCNc1cc(N2CCC[C@@H]2CO)[nH+]cn1)[N@@H+](C)Cc1ccccc1 ZINC000175161321 510511201 /nfs/dbraw/zinc/51/12/01/510511201.db2.gz IHCBLLCAYXMMSY-PKOBYXMFSA-N 2 2 369.513 2.760 10 0 FFAELP C[C@H](NC(=O)NCC[N@@H+]1CCC[C@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000175478757 510659818 /nfs/dbraw/zinc/65/98/18/510659818.db2.gz NWQWQRMIMHFTPK-IRXDYDNUSA-N 2 2 355.486 2.964 10 0 FFAELP C[C@H](NC(=O)NCC[N@H+]1CCC[C@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000175478757 510659828 /nfs/dbraw/zinc/65/98/28/510659828.db2.gz NWQWQRMIMHFTPK-IRXDYDNUSA-N 2 2 355.486 2.964 10 0 FFAELP CCC(CC)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195264049 510745241 /nfs/dbraw/zinc/74/52/41/510745241.db2.gz LJGCJMMDAVLKHM-HZPDHXFCSA-N 2 2 366.575 2.899 10 0 FFAELP CCC(CC)NC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195264049 510745247 /nfs/dbraw/zinc/74/52/47/510745247.db2.gz LJGCJMMDAVLKHM-HZPDHXFCSA-N 2 2 366.575 2.899 10 0 FFAELP CCC(CC)NC(=O)[C@@H](C)[NH+]1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195264049 510745256 /nfs/dbraw/zinc/74/52/56/510745256.db2.gz LJGCJMMDAVLKHM-HZPDHXFCSA-N 2 2 366.575 2.899 10 0 FFAELP CCC(CC)NC(=O)[C@@H](C)[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195264049 510745263 /nfs/dbraw/zinc/74/52/63/510745263.db2.gz LJGCJMMDAVLKHM-HZPDHXFCSA-N 2 2 366.575 2.899 10 0 FFAELP CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195266237 510747319 /nfs/dbraw/zinc/74/73/19/510747319.db2.gz HNHPBFXTRPKVAA-CWRNSKLLSA-N 2 2 352.548 2.508 10 0 FFAELP CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195266237 510747325 /nfs/dbraw/zinc/74/73/25/510747325.db2.gz HNHPBFXTRPKVAA-CWRNSKLLSA-N 2 2 352.548 2.508 10 0 FFAELP CC[C@H](C)NC(=O)[C@H](C)[NH+]1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195266237 510747332 /nfs/dbraw/zinc/74/73/32/510747332.db2.gz HNHPBFXTRPKVAA-CWRNSKLLSA-N 2 2 352.548 2.508 10 0 FFAELP CC[C@H](C)NC(=O)[C@H](C)[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195266237 510747335 /nfs/dbraw/zinc/74/73/35/510747335.db2.gz HNHPBFXTRPKVAA-CWRNSKLLSA-N 2 2 352.548 2.508 10 0 FFAELP C[C@@H](C(=O)NCc1cccs1)[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195277721 510756253 /nfs/dbraw/zinc/75/62/53/510756253.db2.gz FJFYAYMCIILGCE-FUHWJXTLSA-N 2 2 372.538 2.602 10 0 FFAELP C[C@@H](C(=O)NCc1cccs1)[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195277721 510756263 /nfs/dbraw/zinc/75/62/63/510756263.db2.gz FJFYAYMCIILGCE-FUHWJXTLSA-N 2 2 372.538 2.602 10 0 FFAELP C[C@@H](C(=O)NCc1cccs1)[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195277721 510756270 /nfs/dbraw/zinc/75/62/70/510756270.db2.gz FJFYAYMCIILGCE-FUHWJXTLSA-N 2 2 372.538 2.602 10 0 FFAELP C[C@@H](C(=O)NCc1cccs1)[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195277721 510756277 /nfs/dbraw/zinc/75/62/77/510756277.db2.gz FJFYAYMCIILGCE-FUHWJXTLSA-N 2 2 372.538 2.602 10 0 FFAELP C[C@H](C(=O)NCc1cccs1)[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195277731 510756535 /nfs/dbraw/zinc/75/65/35/510756535.db2.gz FJFYAYMCIILGCE-SJLPKXTDSA-N 2 2 372.538 2.602 10 0 FFAELP C[C@H](C(=O)NCc1cccs1)[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195277731 510756543 /nfs/dbraw/zinc/75/65/43/510756543.db2.gz FJFYAYMCIILGCE-SJLPKXTDSA-N 2 2 372.538 2.602 10 0 FFAELP C[C@H](C(=O)NCc1cccs1)[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195277731 510756546 /nfs/dbraw/zinc/75/65/46/510756546.db2.gz FJFYAYMCIILGCE-SJLPKXTDSA-N 2 2 372.538 2.602 10 0 FFAELP C[C@H](C(=O)NCc1cccs1)[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195277731 510756549 /nfs/dbraw/zinc/75/65/49/510756549.db2.gz FJFYAYMCIILGCE-SJLPKXTDSA-N 2 2 372.538 2.602 10 0 FFAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC(=O)NCCC2CCCCC2)C1 ZINC000195280103 510757609 /nfs/dbraw/zinc/75/76/09/510757609.db2.gz HVGJMMIIFHIVHJ-NRFANRHFSA-N 2 2 372.557 2.922 10 0 FFAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC(=O)NCCC2CCCCC2)C1 ZINC000195280103 510757617 /nfs/dbraw/zinc/75/76/17/510757617.db2.gz HVGJMMIIFHIVHJ-NRFANRHFSA-N 2 2 372.557 2.922 10 0 FFAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CC(=O)NCCC2CCCCC2)C1 ZINC000195280103 510757624 /nfs/dbraw/zinc/75/76/24/510757624.db2.gz HVGJMMIIFHIVHJ-NRFANRHFSA-N 2 2 372.557 2.922 10 0 FFAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CC(=O)NCCC2CCCCC2)C1 ZINC000195280103 510757634 /nfs/dbraw/zinc/75/76/34/510757634.db2.gz HVGJMMIIFHIVHJ-NRFANRHFSA-N 2 2 372.557 2.922 10 0 FFAELP CN(C)c1cc(NC(=O)N(C)[C@H]2CCC[NH2+]CC2)[nH+]cc1Br ZINC000333298148 511195327 /nfs/dbraw/zinc/19/53/27/511195327.db2.gz KBJPXCQMAQQTBK-NSHDSACASA-N 2 2 370.295 2.516 10 0 FFAELP O=C(NC1CCN(c2cccc[nH+]2)CC1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000105142741 250201919 /nfs/dbraw/zinc/20/19/19/250201919.db2.gz XKAOVUKUNSQVEP-LJQANCHMSA-N 2 2 371.529 2.710 10 0 FFAELP Cc1ccc(C)c(NC(=O)C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1 ZINC000106130498 250240426 /nfs/dbraw/zinc/24/04/26/250240426.db2.gz HKEMYHODODZOFS-UHFFFAOYSA-N 2 2 369.513 2.535 10 0 FFAELP Cc1ccc(C)c(NC(=O)C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1 ZINC000106130498 250240429 /nfs/dbraw/zinc/24/04/29/250240429.db2.gz HKEMYHODODZOFS-UHFFFAOYSA-N 2 2 369.513 2.535 10 0 FFAELP C[C@H](C(=O)Nc1ccc(F)c(F)c1)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000106165019 250245242 /nfs/dbraw/zinc/24/52/42/250245242.db2.gz LBJPZELVUFROHH-CYBMUJFWSA-N 2 2 362.424 2.980 10 0 FFAELP COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(Cc3[nH+]ccn3C)CC2)cc1 ZINC000106164974 250245694 /nfs/dbraw/zinc/24/56/94/250245694.db2.gz FUYVDGNIHFCECA-OAHLLOKOSA-N 2 2 356.470 2.710 10 0 FFAELP CC(=O)c1ccccc1NC(=O)[C@H](C)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000106165100 250245993 /nfs/dbraw/zinc/24/59/93/250245993.db2.gz ZBSMPTUXVUCNHM-HNNXBMFYSA-N 2 2 368.481 2.904 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)NCc2cc(F)cc(F)c2)C1 ZINC000106212544 250254516 /nfs/dbraw/zinc/25/45/16/250254516.db2.gz UGERFPSIWIBZPC-QGZVFWFLSA-N 2 2 362.424 2.677 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)NCc2cc(F)cc(F)c2)C1 ZINC000106212544 250254520 /nfs/dbraw/zinc/25/45/20/250254520.db2.gz UGERFPSIWIBZPC-QGZVFWFLSA-N 2 2 362.424 2.677 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NCc2[nH+]ccn2CC(C)C)C1 ZINC000175477335 251215681 /nfs/dbraw/zinc/21/56/81/251215681.db2.gz GAFNDJYOMXQTFX-MRXNPFEDSA-N 2 2 358.490 2.845 10 0 FFAELP COc1cc2[nH+]c(NC[C@H]3CCC[N@@H+]3CC(C)C)nc(N)c2cc1OC ZINC000301763373 258066777 /nfs/dbraw/zinc/06/67/77/258066777.db2.gz DZYCMCCIOYAHME-CYBMUJFWSA-N 2 2 359.474 2.762 10 0 FFAELP COc1cc2[nH+]c(NC[C@H]3CCC[N@H+]3CC(C)C)nc(N)c2cc1OC ZINC000301763373 258066779 /nfs/dbraw/zinc/06/67/79/258066779.db2.gz DZYCMCCIOYAHME-CYBMUJFWSA-N 2 2 359.474 2.762 10 0 FFAELP Cc1cn2c([nH+]1)[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)CCC2 ZINC000332696262 258240545 /nfs/dbraw/zinc/24/05/45/258240545.db2.gz YDINDTYBJXBXKO-RTBURBONSA-N 2 2 352.482 2.850 10 0 FFAELP Cc1cn2c([nH+]1)[C@@H](CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)CCC2 ZINC000332696262 258240546 /nfs/dbraw/zinc/24/05/46/258240546.db2.gz YDINDTYBJXBXKO-RTBURBONSA-N 2 2 352.482 2.850 10 0 FFAELP Cc1cn2c([nH+]1)[C@@H](CNC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1)CCC2 ZINC000332706033 258240830 /nfs/dbraw/zinc/24/08/30/258240830.db2.gz HLTNIMSTAWRNMV-RTBURBONSA-N 2 2 367.497 2.767 10 0 FFAELP Cc1cn2c([nH+]1)[C@@H](CNC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1)CCC2 ZINC000332706033 258240831 /nfs/dbraw/zinc/24/08/31/258240831.db2.gz HLTNIMSTAWRNMV-RTBURBONSA-N 2 2 367.497 2.767 10 0 FFAELP Nc1c(NCC[NH+]2CCCCC2)nc[nH+]c1N1CCc2ccccc2C1 ZINC000040756279 136120589 /nfs/dbraw/zinc/12/05/89/136120589.db2.gz IOTBNVRKNCNUEV-UHFFFAOYSA-N 2 2 352.486 2.519 10 0 FFAELP CC[NH+](CC)[C@H](CNc1cc(N2CCC[C@@H]2CO)[nH+]cn1)c1ccccc1 ZINC000110114066 508008219 /nfs/dbraw/zinc/00/82/19/508008219.db2.gz YMTOONOVFHCXFK-RTBURBONSA-N 2 2 369.513 2.933 10 0 FFAELP CCC[NH+]1CCC(CNC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000101999278 508263867 /nfs/dbraw/zinc/26/38/67/508263867.db2.gz UUOHESIFOOXPSD-UHFFFAOYSA-N 2 2 373.476 2.933 10 0 FFAELP CC(=O)N(c1nc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)cs1)C1CC1 ZINC000114720267 508341802 /nfs/dbraw/zinc/34/18/02/508341802.db2.gz BFDCNWMYCRCGQB-UHFFFAOYSA-N 2 2 373.526 2.847 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(C)c(F)c2)C1 ZINC000106214683 508397896 /nfs/dbraw/zinc/39/78/96/508397896.db2.gz GIMPNCULVMRUSJ-QGZVFWFLSA-N 2 2 358.461 2.846 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(C)c(F)c2)C1 ZINC000106214683 508397897 /nfs/dbraw/zinc/39/78/97/508397897.db2.gz GIMPNCULVMRUSJ-QGZVFWFLSA-N 2 2 358.461 2.846 10 0 FFAELP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000106433938 508400813 /nfs/dbraw/zinc/40/08/13/508400813.db2.gz HAXDJESHXKYJJV-HXUWFJFHSA-N 2 2 366.440 2.801 10 0 FFAELP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000154263367 508747741 /nfs/dbraw/zinc/74/77/41/508747741.db2.gz CFJPYGKNGXVBQQ-GOSISDBHSA-N 2 2 355.486 2.792 10 0 FFAELP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000154263367 508747746 /nfs/dbraw/zinc/74/77/46/508747746.db2.gz CFJPYGKNGXVBQQ-GOSISDBHSA-N 2 2 355.486 2.792 10 0 FFAELP CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000159251124 508814547 /nfs/dbraw/zinc/81/45/47/508814547.db2.gz QAJPKJYJSOATCK-INIZCTEOSA-N 2 2 357.458 2.568 10 0 FFAELP CC[N@H+]1CCC[C@H](NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000159251124 508814548 /nfs/dbraw/zinc/81/45/48/508814548.db2.gz QAJPKJYJSOATCK-INIZCTEOSA-N 2 2 357.458 2.568 10 0 FFAELP Cc1ccc(N2CCC([NH2+][C@@H](C)CS(=O)(=O)c3ccccc3)CC2)[nH+]c1 ZINC000120110509 508930863 /nfs/dbraw/zinc/93/08/63/508930863.db2.gz LQZOYWAPBDBXSP-KRWDZBQOSA-N 2 2 373.522 2.811 10 0 FFAELP O[C@@H](C[NH2+][C@@H]1CCCOc2ccccc21)C[N@@H+]1CCc2ccccc2C1 ZINC000151794577 509084585 /nfs/dbraw/zinc/08/45/85/509084585.db2.gz GWYGEMWDTCGOSF-PZJWPPBQSA-N 2 2 352.478 2.909 10 0 FFAELP O[C@@H](C[NH2+][C@@H]1CCCOc2ccccc21)C[N@H+]1CCc2ccccc2C1 ZINC000151794577 509084586 /nfs/dbraw/zinc/08/45/86/509084586.db2.gz GWYGEMWDTCGOSF-PZJWPPBQSA-N 2 2 352.478 2.909 10 0 FFAELP C[C@@H](NC(=O)N(C)CCCn1cc[nH+]c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000120956524 509096423 /nfs/dbraw/zinc/09/64/23/509096423.db2.gz NARUMPWIPSCCPT-MRXNPFEDSA-N 2 2 352.442 2.862 10 0 FFAELP Cc1noc([C@H](C)N2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3C)CC2)n1 ZINC000192003933 509289403 /nfs/dbraw/zinc/28/94/03/509289403.db2.gz VNNZRQIBTWTDJW-INIZCTEOSA-N 2 2 366.469 2.751 10 0 FFAELP Cc1cccc(OC[C@@H](O)C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)c1 ZINC000248641782 509410791 /nfs/dbraw/zinc/41/07/91/509410791.db2.gz CSVHOTHZWUUFRG-SFTDATJTSA-N 2 2 369.509 2.584 10 0 FFAELP Cc1cccc(OC[C@@H](O)C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)c1 ZINC000248641782 509410799 /nfs/dbraw/zinc/41/07/99/509410799.db2.gz CSVHOTHZWUUFRG-SFTDATJTSA-N 2 2 369.509 2.584 10 0 FFAELP Cc1cccc(OC[C@@H](O)C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000248641782 509410808 /nfs/dbraw/zinc/41/08/08/509410808.db2.gz CSVHOTHZWUUFRG-SFTDATJTSA-N 2 2 369.509 2.584 10 0 FFAELP Cc1cccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000248641782 509410815 /nfs/dbraw/zinc/41/08/15/509410815.db2.gz CSVHOTHZWUUFRG-SFTDATJTSA-N 2 2 369.509 2.584 10 0 FFAELP C[C@@H](C(=O)NCC1CCCCC1)[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248661488 509423202 /nfs/dbraw/zinc/42/32/02/509423202.db2.gz XAHVWCIWTDKOMJ-RXVVDRJESA-N 2 2 372.557 2.920 10 0 FFAELP C[C@@H](C(=O)NCC1CCCCC1)[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248661488 509423210 /nfs/dbraw/zinc/42/32/10/509423210.db2.gz XAHVWCIWTDKOMJ-RXVVDRJESA-N 2 2 372.557 2.920 10 0 FFAELP C[C@@H](C(=O)NCC1CCCCC1)[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248661488 509423217 /nfs/dbraw/zinc/42/32/17/509423217.db2.gz XAHVWCIWTDKOMJ-RXVVDRJESA-N 2 2 372.557 2.920 10 0 FFAELP C[C@@H](C(=O)NCC1CCCCC1)[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248661488 509423226 /nfs/dbraw/zinc/42/32/26/509423226.db2.gz XAHVWCIWTDKOMJ-RXVVDRJESA-N 2 2 372.557 2.920 10 0 FFAELP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000248871734 509521622 /nfs/dbraw/zinc/52/16/22/509521622.db2.gz QRWVEFGWSPZWCX-QFBILLFUSA-N 2 2 361.449 2.518 10 0 FFAELP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000248871734 509521628 /nfs/dbraw/zinc/52/16/28/509521628.db2.gz QRWVEFGWSPZWCX-QFBILLFUSA-N 2 2 361.449 2.518 10 0 FFAELP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)C12CCOCC2 ZINC000186253724 509603835 /nfs/dbraw/zinc/60/38/35/509603835.db2.gz RVFFQTTWFWVBKR-VQTJNVASSA-N 2 2 359.514 2.610 10 0 FFAELP CC(C)(CNC(=O)N1CCCN(c2cccc[nH+]2)CC1)[NH+]1CCCCC1 ZINC000186303754 509634421 /nfs/dbraw/zinc/63/44/21/509634421.db2.gz AFNUZGURYYQVSE-UHFFFAOYSA-N 2 2 359.518 2.568 10 0 FFAELP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000245463832 509952001 /nfs/dbraw/zinc/95/20/01/509952001.db2.gz HJLKBMXRICLOFJ-WMLDXEAASA-N 2 2 368.472 2.693 10 0 FFAELP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000245463832 509952009 /nfs/dbraw/zinc/95/20/09/509952009.db2.gz HJLKBMXRICLOFJ-WMLDXEAASA-N 2 2 368.472 2.693 10 0 FFAELP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)C1 ZINC000177403100 510038026 /nfs/dbraw/zinc/03/80/26/510038026.db2.gz LVVLSCLIFLWDCY-GUDVDZBRSA-N 2 2 361.534 2.815 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000245929226 510213080 /nfs/dbraw/zinc/21/30/80/510213080.db2.gz IUCQEKPOCDZQTA-RTBURBONSA-N 2 2 356.445 2.815 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000245929226 510213086 /nfs/dbraw/zinc/21/30/86/510213086.db2.gz IUCQEKPOCDZQTA-RTBURBONSA-N 2 2 356.445 2.815 10 0 FFAELP C[NH+](C)[C@@H](CNC(=O)N1CCCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000184247937 510217719 /nfs/dbraw/zinc/21/77/19/510217719.db2.gz IGPGCXOULMZAMS-IBGZPJMESA-N 2 2 367.497 2.606 10 0 FFAELP COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171644638 510271971 /nfs/dbraw/zinc/27/19/71/510271971.db2.gz YHUPERAZCMNOBD-JKSUJKDBSA-N 2 2 354.454 2.851 10 0 FFAELP COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171644638 510271980 /nfs/dbraw/zinc/27/19/80/510271980.db2.gz YHUPERAZCMNOBD-JKSUJKDBSA-N 2 2 354.454 2.851 10 0 FFAELP COc1ccc(NC(=O)C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)cc1 ZINC000171653326 510284322 /nfs/dbraw/zinc/28/43/22/510284322.db2.gz DGHOCVYFFSTRHG-MRXNPFEDSA-N 2 2 354.454 2.771 10 0 FFAELP COc1ccc(NC(=O)C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)cc1 ZINC000171653326 510284327 /nfs/dbraw/zinc/28/43/27/510284327.db2.gz DGHOCVYFFSTRHG-MRXNPFEDSA-N 2 2 354.454 2.771 10 0 FFAELP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2S(C)(=O)=O)CC[N@@H+]1Cc1ccccc1 ZINC000246102207 510293196 /nfs/dbraw/zinc/29/31/96/510293196.db2.gz YJCUCVHUIXDZSI-LMCOJAPRSA-N 2 2 364.555 2.985 10 0 FFAELP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2S(C)(=O)=O)CC[N@H+]1Cc1ccccc1 ZINC000246102207 510293203 /nfs/dbraw/zinc/29/32/03/510293203.db2.gz YJCUCVHUIXDZSI-LMCOJAPRSA-N 2 2 364.555 2.985 10 0 FFAELP O=C(C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000246151517 510323245 /nfs/dbraw/zinc/32/32/45/510323245.db2.gz PITYBDYIVFYCOH-HUUCEWRRSA-N 2 2 370.419 2.616 10 0 FFAELP O=C(C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000246151517 510323254 /nfs/dbraw/zinc/32/32/54/510323254.db2.gz PITYBDYIVFYCOH-HUUCEWRRSA-N 2 2 370.419 2.616 10 0 FFAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](Cc3sccc3Cl)CC2)C1 ZINC000194385286 510338672 /nfs/dbraw/zinc/33/86/72/510338672.db2.gz RTDFXGCQJWROKG-HNNXBMFYSA-N 2 2 357.951 2.628 10 0 FFAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](Cc3sccc3Cl)CC2)C1 ZINC000194385286 510338678 /nfs/dbraw/zinc/33/86/78/510338678.db2.gz RTDFXGCQJWROKG-HNNXBMFYSA-N 2 2 357.951 2.628 10 0 FFAELP COc1ccc(Cl)cc1C[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174880543 510361839 /nfs/dbraw/zinc/36/18/39/510361839.db2.gz WPRCFFNDDYRCHT-SFHVURJKSA-N 2 2 351.922 2.951 10 0 FFAELP COc1ccc(Cl)cc1C[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174880543 510361846 /nfs/dbraw/zinc/36/18/46/510361846.db2.gz WPRCFFNDDYRCHT-SFHVURJKSA-N 2 2 351.922 2.951 10 0 FFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@H](O)COCc1ccccc1Cl ZINC000178320727 510544408 /nfs/dbraw/zinc/54/44/08/510544408.db2.gz XVKZFSRVGBDEAA-ROUUACIJSA-N 2 2 363.889 2.887 10 0 FFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@H](O)COCc1ccccc1Cl ZINC000178320727 510544413 /nfs/dbraw/zinc/54/44/13/510544413.db2.gz XVKZFSRVGBDEAA-ROUUACIJSA-N 2 2 363.889 2.887 10 0 FFAELP O=C1[C@@H]([N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CCN1c1ccccc1F ZINC000246625820 510589195 /nfs/dbraw/zinc/58/91/95/510589195.db2.gz URIHADLWIKDXPK-YJBOKZPZSA-N 2 2 354.429 2.760 10 0 FFAELP O=C1[C@@H]([N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CCN1c1ccccc1F ZINC000246625820 510589200 /nfs/dbraw/zinc/58/92/00/510589200.db2.gz URIHADLWIKDXPK-YJBOKZPZSA-N 2 2 354.429 2.760 10 0 FFAELP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)C1 ZINC000246632456 510592758 /nfs/dbraw/zinc/59/27/58/510592758.db2.gz NDDKEYHHWDDQLR-MSOLQXFVSA-N 2 2 361.534 2.958 10 0 FFAELP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)C1 ZINC000246632456 510592769 /nfs/dbraw/zinc/59/27/69/510592769.db2.gz NDDKEYHHWDDQLR-MSOLQXFVSA-N 2 2 361.534 2.958 10 0 FFAELP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000175557596 510678348 /nfs/dbraw/zinc/67/83/48/510678348.db2.gz RIXMDHINVJEPLB-DLBZAZTESA-N 2 2 355.486 2.964 10 0 FFAELP CCC[N@H+]1CC[C@H](CNC(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000175557596 510678353 /nfs/dbraw/zinc/67/83/53/510678353.db2.gz RIXMDHINVJEPLB-DLBZAZTESA-N 2 2 355.486 2.964 10 0 FFAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](CCO[C@@H]2CCCCO2)C1 ZINC000195257308 510741833 /nfs/dbraw/zinc/74/18/33/510741833.db2.gz FIIIWFSYUBKNBT-FUHWJXTLSA-N 2 2 353.532 2.748 10 0 FFAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](CCO[C@@H]2CCCCO2)C1 ZINC000195257308 510741842 /nfs/dbraw/zinc/74/18/42/510741842.db2.gz FIIIWFSYUBKNBT-FUHWJXTLSA-N 2 2 353.532 2.748 10 0 FFAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](CCO[C@@H]2CCCCO2)C1 ZINC000195257308 510741846 /nfs/dbraw/zinc/74/18/46/510741846.db2.gz FIIIWFSYUBKNBT-FUHWJXTLSA-N 2 2 353.532 2.748 10 0 FFAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](CCO[C@@H]2CCCCO2)C1 ZINC000195257308 510741852 /nfs/dbraw/zinc/74/18/52/510741852.db2.gz FIIIWFSYUBKNBT-FUHWJXTLSA-N 2 2 353.532 2.748 10 0 FFAELP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000175736522 510763216 /nfs/dbraw/zinc/76/32/16/510763216.db2.gz YPIALPBPOBHYDU-SFHVURJKSA-N 2 2 368.485 2.561 10 0 FFAELP C[C@H](C(=O)NCC1CCCCC1)[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195301204 510772085 /nfs/dbraw/zinc/77/20/85/510772085.db2.gz XAHVWCIWTDKOMJ-WIYYLYMNSA-N 2 2 372.557 2.920 10 0 FFAELP C[C@H](C(=O)NCC1CCCCC1)[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195301204 510772092 /nfs/dbraw/zinc/77/20/92/510772092.db2.gz XAHVWCIWTDKOMJ-WIYYLYMNSA-N 2 2 372.557 2.920 10 0 FFAELP C[C@H](C(=O)NCC1CCCCC1)[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195301204 510772096 /nfs/dbraw/zinc/77/20/96/510772096.db2.gz XAHVWCIWTDKOMJ-WIYYLYMNSA-N 2 2 372.557 2.920 10 0 FFAELP C[C@H](C(=O)NCC1CCCCC1)[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195301204 510772102 /nfs/dbraw/zinc/77/21/02/510772102.db2.gz XAHVWCIWTDKOMJ-WIYYLYMNSA-N 2 2 372.557 2.920 10 0 FFAELP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000247021193 510804474 /nfs/dbraw/zinc/80/44/74/510804474.db2.gz SPLVQRGFTSPDTQ-MSOLQXFVSA-N 2 2 372.538 2.961 10 0 FFAELP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000247021193 510804479 /nfs/dbraw/zinc/80/44/79/510804479.db2.gz SPLVQRGFTSPDTQ-MSOLQXFVSA-N 2 2 372.538 2.961 10 0 FFAELP CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000247404378 510859838 /nfs/dbraw/zinc/85/98/38/510859838.db2.gz XUWSCHMVSGOZDB-IAGOWNOFSA-N 2 2 355.486 2.917 10 0 FFAELP CC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000247404378 510859839 /nfs/dbraw/zinc/85/98/39/510859839.db2.gz XUWSCHMVSGOZDB-IAGOWNOFSA-N 2 2 355.486 2.917 10 0 FFAELP CC[N@@H+]1CCC[C@@H](C[NH+](C)C[C@H](O)c2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000328629239 511900496 /nfs/dbraw/zinc/90/04/96/511900496.db2.gz IAKGOUWWALWHND-SESVDKBCSA-N 2 2 356.514 2.859 10 0 FFAELP CC[N@H+]1CCC[C@@H](C[NH+](C)C[C@H](O)c2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000328629239 511900500 /nfs/dbraw/zinc/90/05/00/511900500.db2.gz IAKGOUWWALWHND-SESVDKBCSA-N 2 2 356.514 2.859 10 0 FFAELP CC[NH+]1CCC[C@@H](C[N@H+](C)C[C@H](O)c2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000328629239 511900504 /nfs/dbraw/zinc/90/05/04/511900504.db2.gz IAKGOUWWALWHND-SESVDKBCSA-N 2 2 356.514 2.859 10 0 FFAELP CC[NH+]1CCC[C@@H](C[N@@H+](C)C[C@H](O)c2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000328629239 511900508 /nfs/dbraw/zinc/90/05/08/511900508.db2.gz IAKGOUWWALWHND-SESVDKBCSA-N 2 2 356.514 2.859 10 0 FFAELP Cn1cc[nH+]c1CN(Cc1cnc(C2CC2)s1)[C@@H]1CC12CC[NH2+]CC2 ZINC000573534183 518710843 /nfs/dbraw/zinc/71/08/43/518710843.db2.gz DPIMOECEFGZUHL-MRXNPFEDSA-N 2 2 357.527 2.898 10 0 FFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cn1c(-c2ccccn2)csc1=O ZINC000176083280 729108740 /nfs/dbraw/zinc/10/87/40/729108740.db2.gz HVGTUTTVFHCRFY-HNNXBMFYSA-N 2 2 355.467 2.599 10 0 FFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cn1c(-c2ccccn2)csc1=O ZINC000176083280 729108742 /nfs/dbraw/zinc/10/87/42/729108742.db2.gz HVGTUTTVFHCRFY-HNNXBMFYSA-N 2 2 355.467 2.599 10 0 FFAELP Cn1nc(-c2ccccc2)c(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1Cl ZINC000093665276 250041661 /nfs/dbraw/zinc/04/16/61/250041661.db2.gz ZVEFTOIRWXADAF-MRXNPFEDSA-N 2 2 374.916 2.895 10 0 FFAELP Cn1nc(-c2ccccc2)c(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1Cl ZINC000093665276 250041666 /nfs/dbraw/zinc/04/16/66/250041666.db2.gz ZVEFTOIRWXADAF-MRXNPFEDSA-N 2 2 374.916 2.895 10 0 FFAELP C[C@H](C(=O)Nc1ccc(Cl)cn1)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000106165293 250247031 /nfs/dbraw/zinc/24/70/31/250247031.db2.gz IVIABJLIZBKVDL-CYBMUJFWSA-N 2 2 361.877 2.750 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NCc2ccc(F)cc2)C1 ZINC000106215223 250256024 /nfs/dbraw/zinc/25/60/24/250256024.db2.gz HGRUVYHKDNETFW-YJBOKZPZSA-N 2 2 358.461 2.926 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)NCc2ccc(F)cc2)C1 ZINC000106215223 250256028 /nfs/dbraw/zinc/25/60/28/250256028.db2.gz HGRUVYHKDNETFW-YJBOKZPZSA-N 2 2 358.461 2.926 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2C(C)=O)C1 ZINC000106216729 250256071 /nfs/dbraw/zinc/25/60/71/250256071.db2.gz OFAKENJXLFDTNM-INIZCTEOSA-N 2 2 354.454 2.924 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2C(C)=O)C1 ZINC000106216729 250256074 /nfs/dbraw/zinc/25/60/74/250256074.db2.gz OFAKENJXLFDTNM-INIZCTEOSA-N 2 2 354.454 2.924 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(C(=O)OC)c2)C1 ZINC000106216759 250257414 /nfs/dbraw/zinc/25/74/14/250257414.db2.gz JYSKIYCYOXEIPQ-QGZVFWFLSA-N 2 2 370.453 2.508 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(C(=O)OC)c2)C1 ZINC000106216759 250257418 /nfs/dbraw/zinc/25/74/18/250257418.db2.gz JYSKIYCYOXEIPQ-QGZVFWFLSA-N 2 2 370.453 2.508 10 0 FFAELP Cc1[nH+]c(-c2ccncc2)nc(NC[C@H](c2cnn(C)c2)[NH+](C)C)c1C ZINC000301299693 258040821 /nfs/dbraw/zinc/04/08/21/258040821.db2.gz UJYZCZSPGCNNFH-QGZVFWFLSA-N 2 2 351.458 2.604 10 0 FFAELP Cc1cc(N2C[C@H]3OCC[N@H+](Cc4ccccc4)[C@H]3C2)nc(C(C)C)[nH+]1 ZINC000301621691 258059395 /nfs/dbraw/zinc/05/93/95/258059395.db2.gz FKZKJALKYMGAJI-RBUKOAKNSA-N 2 2 352.482 2.998 10 0 FFAELP Cc1cc(N2C[C@H]3OCC[N@@H+](Cc4ccccc4)[C@H]3C2)nc(C(C)C)[nH+]1 ZINC000301621691 258059396 /nfs/dbraw/zinc/05/93/96/258059396.db2.gz FKZKJALKYMGAJI-RBUKOAKNSA-N 2 2 352.482 2.998 10 0 FFAELP Cc1[nH+]ccn1-c1cncc(N2CCC[C@@H]2c2[nH+]c3c(n2C)CCCC3)n1 ZINC000328941710 258124745 /nfs/dbraw/zinc/12/47/45/258124745.db2.gz IFEIFGDTNFMDQL-QGZVFWFLSA-N 2 2 363.469 2.925 10 0 FFAELP Nc1c(N2CC[NH+](Cc3ccccc3)CC2)nc[nH+]c1N1CCCCCC1 ZINC000040725374 136119951 /nfs/dbraw/zinc/11/99/51/136119951.db2.gz QQGASRHRFDSTSM-UHFFFAOYSA-N 2 2 366.513 2.761 10 0 FFAELP CCc1[nH+]c(C)nc(N2CC[NH+](C[C@H](C)O)CC2)c1Cc1ccc(F)cc1 ZINC000036340789 506401447 /nfs/dbraw/zinc/40/14/47/506401447.db2.gz UQWHBCVKDLGDMD-HNNXBMFYSA-N 2 2 372.488 2.580 10 0 FFAELP Cc1nc(N2CC[NH+](CC(C)(C)O)CC2)c(Cc2ccc(F)cc2)c(C)[nH+]1 ZINC000036316567 506402240 /nfs/dbraw/zinc/40/22/40/506402240.db2.gz XMNSLASUTQUWRM-UHFFFAOYSA-N 2 2 372.488 2.716 10 0 FFAELP O=C(NCCc1cn2ccccc2[nH+]1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107829571 507868936 /nfs/dbraw/zinc/86/89/36/507868936.db2.gz OLPPDEVOOJUOFF-SFHVURJKSA-N 2 2 355.486 2.537 10 0 FFAELP CCC(CC)[C@@H](CNc1cc(N2CCC[C@@H]2CO)[nH+]cn1)[NH+]1CCCC1 ZINC000110127198 508008731 /nfs/dbraw/zinc/00/87/31/508008731.db2.gz PWGLSCLAGWVIPD-QZTJIDSGSA-N 2 2 361.534 2.750 10 0 FFAELP CC[NH+](CC)Cc1cccc(CNc2cc(N3CCC[C@@H]3CO)nc[nH+]2)c1 ZINC000110232455 508015384 /nfs/dbraw/zinc/01/53/84/508015384.db2.gz DDECXEWSOOKFSW-LJQANCHMSA-N 2 2 369.513 2.892 10 0 FFAELP CC[NH+](CC)Cc1cccc(CNc2cc(N3CCC[C@@H]3CO)[nH+]cn2)c1 ZINC000110232455 508015386 /nfs/dbraw/zinc/01/53/86/508015386.db2.gz DDECXEWSOOKFSW-LJQANCHMSA-N 2 2 369.513 2.892 10 0 FFAELP Cc1ccc(N2CCC(NC(=O)N3CC[NH+](C4CCCC4)CC3)CC2)[nH+]c1 ZINC000074435425 508022511 /nfs/dbraw/zinc/02/25/11/508022511.db2.gz ALGKDPNXFAZIDW-UHFFFAOYSA-N 2 2 371.529 2.629 10 0 FFAELP [NH3+]CC[NH2+]CCNc1c(C(=O)C(F)(F)F)cnc2cc(Cl)ccc21 ZINC000097757688 508229865 /nfs/dbraw/zinc/22/98/65/508229865.db2.gz STUMHCWMCAXEEV-UHFFFAOYSA-N 2 2 360.767 2.593 10 0 FFAELP Cc1ccc2[nH+]c(CSCC(=O)N3C[C@@H]4CCC[N@H+]4C[C@@H]3C)cn2c1 ZINC000113459007 508269165 /nfs/dbraw/zinc/26/91/65/508269165.db2.gz FJDQCEYLOXNQHP-RDJZCZTQSA-N 2 2 358.511 2.571 10 0 FFAELP Cc1ccc2[nH+]c(CSCC(=O)N3C[C@@H]4CCC[N@@H+]4C[C@@H]3C)cn2c1 ZINC000113459007 508269166 /nfs/dbraw/zinc/26/91/66/508269166.db2.gz FJDQCEYLOXNQHP-RDJZCZTQSA-N 2 2 358.511 2.571 10 0 FFAELP CCc1cccc(OCC[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1 ZINC000106129913 508395981 /nfs/dbraw/zinc/39/59/81/508395981.db2.gz SKQKALXQHHMHHX-UHFFFAOYSA-N 2 2 356.514 2.921 10 0 FFAELP CCc1cccc(OCC[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1 ZINC000106129913 508395983 /nfs/dbraw/zinc/39/59/83/508395983.db2.gz SKQKALXQHHMHHX-UHFFFAOYSA-N 2 2 356.514 2.921 10 0 FFAELP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2cc(-c3ccccc3)n[nH]2)nc[nH+]1 ZINC000136072086 508668095 /nfs/dbraw/zinc/66/80/95/508668095.db2.gz QYEVZRIKJUMQCX-QGZVFWFLSA-N 2 2 363.469 2.667 10 0 FFAELP CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000159251313 508814688 /nfs/dbraw/zinc/81/46/88/508814688.db2.gz QAJPKJYJSOATCK-MRXNPFEDSA-N 2 2 357.458 2.568 10 0 FFAELP CC[N@H+]1CCC[C@@H](NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000159251313 508814690 /nfs/dbraw/zinc/81/46/90/508814690.db2.gz QAJPKJYJSOATCK-MRXNPFEDSA-N 2 2 357.458 2.568 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@H](O)COc2cccc(C(C)=O)c2)C1 ZINC000155223797 508951971 /nfs/dbraw/zinc/95/19/71/508951971.db2.gz ATDZVRJSXSXIPA-OALUTQOASA-N 2 2 371.481 2.725 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@H](O)COc2cccc(C(C)=O)c2)C1 ZINC000155223797 508951972 /nfs/dbraw/zinc/95/19/72/508951972.db2.gz ATDZVRJSXSXIPA-OALUTQOASA-N 2 2 371.481 2.725 10 0 FFAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](Cc3ccc([C@H]4C[C@H]4C)o3)CC2)C1 ZINC000121050938 509118252 /nfs/dbraw/zinc/11/82/52/509118252.db2.gz RNZLSGVHJVNGSL-RLLQIKCJSA-N 2 2 361.530 2.630 10 0 FFAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](Cc3ccc([C@H]4C[C@H]4C)o3)CC2)C1 ZINC000121050938 509118256 /nfs/dbraw/zinc/11/82/56/509118256.db2.gz RNZLSGVHJVNGSL-RLLQIKCJSA-N 2 2 361.530 2.630 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000152064248 509138970 /nfs/dbraw/zinc/13/89/70/509138970.db2.gz TVMODPBSCJCAOW-QGZVFWFLSA-N 2 2 366.469 2.682 10 0 FFAELP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000175921538 509217643 /nfs/dbraw/zinc/21/76/43/509217643.db2.gz REJWZAHDMIOJNT-IEBWSBKVSA-N 2 2 367.497 2.504 10 0 FFAELP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000175921538 509217646 /nfs/dbraw/zinc/21/76/46/509217646.db2.gz REJWZAHDMIOJNT-IEBWSBKVSA-N 2 2 367.497 2.504 10 0 FFAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CC[C@]4(O)CCCC[C@H]4C3)c2cc1C ZINC000248151125 509247278 /nfs/dbraw/zinc/24/72/78/509247278.db2.gz QUCPVZBSXZACSZ-WAOWUJCRSA-N 2 2 357.498 2.641 10 0 FFAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CC[C@]4(O)CCCC[C@H]4C3)c2cc1C ZINC000248151125 509247288 /nfs/dbraw/zinc/24/72/88/509247288.db2.gz QUCPVZBSXZACSZ-WAOWUJCRSA-N 2 2 357.498 2.641 10 0 FFAELP C[C@H](C(=O)N1CCCCCC1)[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248637516 509406431 /nfs/dbraw/zinc/40/64/31/509406431.db2.gz AIGHKIZRBBIXQB-QUCCMNQESA-N 2 2 358.530 2.626 10 0 FFAELP C[C@H](C(=O)N1CCCCCC1)[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248637516 509406437 /nfs/dbraw/zinc/40/64/37/509406437.db2.gz AIGHKIZRBBIXQB-QUCCMNQESA-N 2 2 358.530 2.626 10 0 FFAELP C[C@H](C(=O)N1CCCCCC1)[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248637516 509406444 /nfs/dbraw/zinc/40/64/44/509406444.db2.gz AIGHKIZRBBIXQB-QUCCMNQESA-N 2 2 358.530 2.626 10 0 FFAELP C[C@H](C(=O)N1CCCCCC1)[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248637516 509406450 /nfs/dbraw/zinc/40/64/50/509406450.db2.gz AIGHKIZRBBIXQB-QUCCMNQESA-N 2 2 358.530 2.626 10 0 FFAELP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)c1 ZINC000182893599 509480893 /nfs/dbraw/zinc/48/08/93/509480893.db2.gz NYYMXTDSXKJNQR-CTNGQTDRSA-N 2 2 372.557 2.732 10 0 FFAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2ccc(OC)c(OC)c2)nc[nH+]1 ZINC000173395985 509570950 /nfs/dbraw/zinc/57/09/50/509570950.db2.gz SRLNAAPXHRCSLL-ZBFHGGJFSA-N 2 2 371.485 2.855 10 0 FFAELP CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000249615469 509728894 /nfs/dbraw/zinc/72/88/94/509728894.db2.gz YLFJBAALKKDMLO-LNLFQRSKSA-N 2 2 374.529 2.902 10 0 FFAELP CC[N@H+]1CCC[C@H](NC(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000249615469 509728897 /nfs/dbraw/zinc/72/88/97/509728897.db2.gz YLFJBAALKKDMLO-LNLFQRSKSA-N 2 2 374.529 2.902 10 0 FFAELP CCN1CCC[C@@H]([NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)C1 ZINC000180093146 509747177 /nfs/dbraw/zinc/74/71/77/509747177.db2.gz XKPCHTCTJYRBGO-MRXNPFEDSA-N 2 2 350.938 2.666 10 0 FFAELP CC[N@@H+]1CCC[C@@H](NCc2c(Cl)cccc2N2CC[NH+](C)CC2)C1 ZINC000180093146 509747184 /nfs/dbraw/zinc/74/71/84/509747184.db2.gz XKPCHTCTJYRBGO-MRXNPFEDSA-N 2 2 350.938 2.666 10 0 FFAELP CC[N@H+]1CCC[C@@H](NCc2c(Cl)cccc2N2CC[NH+](C)CC2)C1 ZINC000180093146 509747195 /nfs/dbraw/zinc/74/71/95/509747195.db2.gz XKPCHTCTJYRBGO-MRXNPFEDSA-N 2 2 350.938 2.666 10 0 FFAELP C[C@H]([NH2+]CCn1cnc2ccccc2c1=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000189911066 509824363 /nfs/dbraw/zinc/82/43/63/509824363.db2.gz SBEWBXLBIFBAMG-INIZCTEOSA-N 2 2 359.433 2.933 10 0 FFAELP CCc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000177150474 509903781 /nfs/dbraw/zinc/90/37/81/509903781.db2.gz MOWVEOSGLDPNBZ-MRXNPFEDSA-N 2 2 351.454 2.795 10 0 FFAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2ccc(F)c(OC)c2)nc[nH+]1 ZINC000180567887 509988757 /nfs/dbraw/zinc/98/87/57/509988757.db2.gz ACKVDMXGDDJEQK-DZGCQCFKSA-N 2 2 359.449 2.986 10 0 FFAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2cc(OC)ccc2OC)nc[nH+]1 ZINC000180574002 509991486 /nfs/dbraw/zinc/99/14/86/509991486.db2.gz LBLTVXVTEYCBMN-HUUCEWRRSA-N 2 2 371.485 2.855 10 0 FFAELP C[C@@H](NC(=O)[C@@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1cccc2ccccc21 ZINC000193656864 510008525 /nfs/dbraw/zinc/00/85/25/510008525.db2.gz ANNRXZFCSCLLBC-RWQQGDIJSA-N 2 2 351.494 2.899 10 0 FFAELP C[C@@H](NC(=O)[C@@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1cccc2ccccc21 ZINC000193656864 510008533 /nfs/dbraw/zinc/00/85/33/510008533.db2.gz ANNRXZFCSCLLBC-RWQQGDIJSA-N 2 2 351.494 2.899 10 0 FFAELP C[C@@H](NC(=O)[C@@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1)c1cccc2ccccc21 ZINC000193656864 510008540 /nfs/dbraw/zinc/00/85/40/510008540.db2.gz ANNRXZFCSCLLBC-RWQQGDIJSA-N 2 2 351.494 2.899 10 0 FFAELP C[C@@H](NC(=O)[C@@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1)c1cccc2ccccc21 ZINC000193656864 510008544 /nfs/dbraw/zinc/00/85/44/510008544.db2.gz ANNRXZFCSCLLBC-RWQQGDIJSA-N 2 2 351.494 2.899 10 0 FFAELP CCCCc1nnc(NC(=O)C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)s1 ZINC000245563259 510009362 /nfs/dbraw/zinc/00/93/62/510009362.db2.gz CVJQCWMUUGZVFV-KBPBESRZSA-N 2 2 362.503 2.599 10 0 FFAELP CCCCc1nnc(NC(=O)C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)s1 ZINC000245563259 510009369 /nfs/dbraw/zinc/00/93/69/510009369.db2.gz CVJQCWMUUGZVFV-KBPBESRZSA-N 2 2 362.503 2.599 10 0 FFAELP COC(=O)[C@@H](C)Oc1ccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1 ZINC000245806933 510150915 /nfs/dbraw/zinc/15/09/15/510150915.db2.gz YRMIKEOIHRDKFU-QAPCUYQASA-N 2 2 357.454 2.796 10 0 FFAELP CCOC(=O)c1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)o1 ZINC000190475381 510152106 /nfs/dbraw/zinc/15/21/06/510152106.db2.gz SQOGQTCHYFYIQV-QGZVFWFLSA-N 2 2 357.454 2.805 10 0 FFAELP CCOC(=O)c1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)o1 ZINC000190475381 510152116 /nfs/dbraw/zinc/15/21/16/510152116.db2.gz SQOGQTCHYFYIQV-QGZVFWFLSA-N 2 2 357.454 2.805 10 0 FFAELP CCOC(=O)c1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)o1 ZINC000190475381 510152124 /nfs/dbraw/zinc/15/21/24/510152124.db2.gz SQOGQTCHYFYIQV-QGZVFWFLSA-N 2 2 357.454 2.805 10 0 FFAELP Cc1nn(C)c2ncc(C[N@@H+]3CC[C@H](C[NH+](C)Cc4cccnc4)C3)cc12 ZINC000190480213 510156158 /nfs/dbraw/zinc/15/61/58/510156158.db2.gz LWUPQCNTCBPETR-GOSISDBHSA-N 2 2 364.497 2.626 10 0 FFAELP Cc1nn(C)c2ncc(C[N@H+]3CC[C@H](C[NH+](C)Cc4cccnc4)C3)cc12 ZINC000190480213 510156161 /nfs/dbraw/zinc/15/61/61/510156161.db2.gz LWUPQCNTCBPETR-GOSISDBHSA-N 2 2 364.497 2.626 10 0 FFAELP Cc1nn(C)c2ncc(C[NH+]3CC[C@H](C[N@H+](C)Cc4cccnc4)C3)cc12 ZINC000190480213 510156167 /nfs/dbraw/zinc/15/61/67/510156167.db2.gz LWUPQCNTCBPETR-GOSISDBHSA-N 2 2 364.497 2.626 10 0 FFAELP Cc1nn(C)c2ncc(C[NH+]3CC[C@H](C[N@@H+](C)Cc4cccnc4)C3)cc12 ZINC000190480213 510156171 /nfs/dbraw/zinc/15/61/71/510156171.db2.gz LWUPQCNTCBPETR-GOSISDBHSA-N 2 2 364.497 2.626 10 0 FFAELP Cc1ccc(CNC(=O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1F ZINC000171643786 510272878 /nfs/dbraw/zinc/27/28/78/510272878.db2.gz MXRXANDWAGORAG-QGZVFWFLSA-N 2 2 356.445 2.579 10 0 FFAELP Cc1ccc(CNC(=O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1F ZINC000171643786 510272886 /nfs/dbraw/zinc/27/28/86/510272886.db2.gz MXRXANDWAGORAG-QGZVFWFLSA-N 2 2 356.445 2.579 10 0 FFAELP O[C@@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1cccc(Br)c1 ZINC000246207692 510364179 /nfs/dbraw/zinc/36/41/79/510364179.db2.gz ORNFRFVSKDUYCU-YOEHRIQHSA-N 2 2 353.304 2.900 10 0 FFAELP O[C@@H](C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1cccc(Br)c1 ZINC000246207692 510364185 /nfs/dbraw/zinc/36/41/85/510364185.db2.gz ORNFRFVSKDUYCU-YOEHRIQHSA-N 2 2 353.304 2.900 10 0 FFAELP Cc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c(C)c1 ZINC000246213768 510367353 /nfs/dbraw/zinc/36/73/53/510367353.db2.gz ZMNWLFARUHRFJI-OALUTQOASA-N 2 2 355.482 2.872 10 0 FFAELP Cc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c(C)c1 ZINC000246213768 510367360 /nfs/dbraw/zinc/36/73/60/510367360.db2.gz ZMNWLFARUHRFJI-OALUTQOASA-N 2 2 355.482 2.872 10 0 FFAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)nc[nH+]1 ZINC000246423310 510481396 /nfs/dbraw/zinc/48/13/96/510481396.db2.gz NJJQHLVIPXLJNL-SBTMGTPNSA-N 2 2 373.526 2.575 10 0 FFAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)nc[nH+]1 ZINC000246423303 510482852 /nfs/dbraw/zinc/48/28/52/510482852.db2.gz NJJQHLVIPXLJNL-LKOFHKMLSA-N 2 2 373.526 2.575 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000178305581 510538357 /nfs/dbraw/zinc/53/83/57/510538357.db2.gz OLNBOYFFXLSRJN-MOPGFXCFSA-N 2 2 367.497 2.684 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000178305581 510538363 /nfs/dbraw/zinc/53/83/63/510538363.db2.gz OLNBOYFFXLSRJN-MOPGFXCFSA-N 2 2 367.497 2.684 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000178305581 510538366 /nfs/dbraw/zinc/53/83/66/510538366.db2.gz OLNBOYFFXLSRJN-MOPGFXCFSA-N 3 2 367.497 2.684 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000178305581 510538371 /nfs/dbraw/zinc/53/83/71/510538371.db2.gz OLNBOYFFXLSRJN-MOPGFXCFSA-N 3 2 367.497 2.684 10 0 FFAELP COc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178322753 510546268 /nfs/dbraw/zinc/54/62/68/510546268.db2.gz BOSGWRUDMKZTKX-HNNXBMFYSA-N 2 2 362.861 2.957 10 0 FFAELP COc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178322753 510546274 /nfs/dbraw/zinc/54/62/74/510546274.db2.gz BOSGWRUDMKZTKX-HNNXBMFYSA-N 2 2 362.861 2.957 10 0 FFAELP COc1cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)ccc1O ZINC000195003984 510627348 /nfs/dbraw/zinc/62/73/48/510627348.db2.gz VSHAZXZXBPVSQU-LJQANCHMSA-N 2 2 356.466 2.782 10 0 FFAELP COc1cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)ccc1O ZINC000195003984 510627354 /nfs/dbraw/zinc/62/73/54/510627354.db2.gz VSHAZXZXBPVSQU-LJQANCHMSA-N 2 2 356.466 2.782 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@@H](O)COCc2ccccc2F)C1 ZINC000246758216 510657994 /nfs/dbraw/zinc/65/79/94/510657994.db2.gz XYSHBLFMWCSPOM-ZWKOTPCHSA-N 2 2 361.461 2.799 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@@H](O)COCc2ccccc2F)C1 ZINC000246758216 510658004 /nfs/dbraw/zinc/65/80/04/510658004.db2.gz XYSHBLFMWCSPOM-ZWKOTPCHSA-N 2 2 361.461 2.799 10 0 FFAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC(=O)NCCC2CCCCC2)C1 ZINC000195280113 510758122 /nfs/dbraw/zinc/75/81/22/510758122.db2.gz HVGJMMIIFHIVHJ-OAQYLSRUSA-N 2 2 372.557 2.922 10 0 FFAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC(=O)NCCC2CCCCC2)C1 ZINC000195280113 510758130 /nfs/dbraw/zinc/75/81/30/510758130.db2.gz HVGJMMIIFHIVHJ-OAQYLSRUSA-N 2 2 372.557 2.922 10 0 FFAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CC(=O)NCCC2CCCCC2)C1 ZINC000195280113 510758136 /nfs/dbraw/zinc/75/81/36/510758136.db2.gz HVGJMMIIFHIVHJ-OAQYLSRUSA-N 2 2 372.557 2.922 10 0 FFAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CC(=O)NCCC2CCCCC2)C1 ZINC000195280113 510758143 /nfs/dbraw/zinc/75/81/43/510758143.db2.gz HVGJMMIIFHIVHJ-OAQYLSRUSA-N 2 2 372.557 2.922 10 0 FFAELP CC1CCC(N(C)C(=O)C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)CC1 ZINC000195294369 510767838 /nfs/dbraw/zinc/76/78/38/510767838.db2.gz NQJRVMMHRSDVSY-CKHPTIKVSA-N 2 2 372.557 2.872 10 0 FFAELP CC1CCC(N(C)C(=O)C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)CC1 ZINC000195294369 510767845 /nfs/dbraw/zinc/76/78/45/510767845.db2.gz NQJRVMMHRSDVSY-CKHPTIKVSA-N 2 2 372.557 2.872 10 0 FFAELP CC1CCC(N(C)C(=O)C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)CC1 ZINC000195294369 510767853 /nfs/dbraw/zinc/76/78/53/510767853.db2.gz NQJRVMMHRSDVSY-CKHPTIKVSA-N 2 2 372.557 2.872 10 0 FFAELP CC1CCC(N(C)C(=O)C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)CC1 ZINC000195294369 510767858 /nfs/dbraw/zinc/76/78/58/510767858.db2.gz NQJRVMMHRSDVSY-CKHPTIKVSA-N 2 2 372.557 2.872 10 0 FFAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC(=O)NCC2CCCCC2)C1 ZINC000195297901 510770293 /nfs/dbraw/zinc/77/02/93/510770293.db2.gz GLDDZMCMVKEESQ-FQEVSTJZSA-N 2 2 358.530 2.532 10 0 FFAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC(=O)NCC2CCCCC2)C1 ZINC000195297901 510770296 /nfs/dbraw/zinc/77/02/96/510770296.db2.gz GLDDZMCMVKEESQ-FQEVSTJZSA-N 2 2 358.530 2.532 10 0 FFAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CC(=O)NCC2CCCCC2)C1 ZINC000195297901 510770298 /nfs/dbraw/zinc/77/02/98/510770298.db2.gz GLDDZMCMVKEESQ-FQEVSTJZSA-N 2 2 358.530 2.532 10 0 FFAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CC(=O)NCC2CCCCC2)C1 ZINC000195297901 510770302 /nfs/dbraw/zinc/77/03/02/510770302.db2.gz GLDDZMCMVKEESQ-FQEVSTJZSA-N 2 2 358.530 2.532 10 0 FFAELP CN(C)C(=O)[C@@H](c1ccccc1)[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195300482 510771630 /nfs/dbraw/zinc/77/16/30/510771630.db2.gz QKHIAJLJAPJNRT-TZIWHRDSSA-N 2 2 366.509 2.665 10 0 FFAELP CN(C)C(=O)[C@@H](c1ccccc1)[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195300482 510771637 /nfs/dbraw/zinc/77/16/37/510771637.db2.gz QKHIAJLJAPJNRT-TZIWHRDSSA-N 2 2 366.509 2.665 10 0 FFAELP CN(C)C(=O)[C@@H](c1ccccc1)[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195300482 510771642 /nfs/dbraw/zinc/77/16/42/510771642.db2.gz QKHIAJLJAPJNRT-TZIWHRDSSA-N 2 2 366.509 2.665 10 0 FFAELP CN(C)C(=O)[C@@H](c1ccccc1)[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195300482 510771647 /nfs/dbraw/zinc/77/16/47/510771647.db2.gz QKHIAJLJAPJNRT-TZIWHRDSSA-N 2 2 366.509 2.665 10 0 FFAELP O=C(C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)N1CCc2ccccc2C1 ZINC000246985990 510783282 /nfs/dbraw/zinc/78/32/82/510783282.db2.gz WDMIVZHWSAAUGP-FPOVZHCZSA-N 2 2 353.510 2.520 10 0 FFAELP O=C(C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)N1CCc2ccccc2C1 ZINC000246985990 510783286 /nfs/dbraw/zinc/78/32/86/510783286.db2.gz WDMIVZHWSAAUGP-FPOVZHCZSA-N 2 2 353.510 2.520 10 0 FFAELP O=C(C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)N1CCc2ccccc2C1 ZINC000246985990 510783289 /nfs/dbraw/zinc/78/32/89/510783289.db2.gz WDMIVZHWSAAUGP-FPOVZHCZSA-N 2 2 353.510 2.520 10 0 FFAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000247365263 510858594 /nfs/dbraw/zinc/85/85/94/510858594.db2.gz OVKXBVKWCWMHIM-NEWSRXKRSA-N 2 2 361.555 2.621 10 0 FFAELP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000247365263 510858595 /nfs/dbraw/zinc/85/85/95/510858595.db2.gz OVKXBVKWCWMHIM-NEWSRXKRSA-N 2 2 361.555 2.621 10 0 FFAELP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCC[C@H]1c1ccco1 ZINC000247568847 510865916 /nfs/dbraw/zinc/86/59/16/510865916.db2.gz WGDUWMBNXUYTOZ-SJORKVTESA-N 2 2 354.454 2.549 10 0 FFAELP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCC[C@H]1c1ccco1 ZINC000247568847 510865917 /nfs/dbraw/zinc/86/59/17/510865917.db2.gz WGDUWMBNXUYTOZ-SJORKVTESA-N 2 2 354.454 2.549 10 0 FFAELP C[NH+](C)C1CCC(NC(=O)N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC1 ZINC000333821070 511365764 /nfs/dbraw/zinc/36/57/64/511365764.db2.gz HNQXADIIPAWXCE-PCKAHOCUSA-N 2 2 361.534 2.667 10 0 FFAELP COc1cc(C)[nH+]c(CN(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)c1 ZINC000284805314 511877541 /nfs/dbraw/zinc/87/75/41/511877541.db2.gz KERSRBSBENTUTE-OXJNMPFZSA-N 2 2 357.502 2.647 10 0 FFAELP COc1cc(C)[nH+]c(CN(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)c1 ZINC000284805314 511877544 /nfs/dbraw/zinc/87/75/44/511877544.db2.gz KERSRBSBENTUTE-OXJNMPFZSA-N 2 2 357.502 2.647 10 0 FFAELP Cc1nn(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c(C)c1Br ZINC000176082836 729108772 /nfs/dbraw/zinc/10/87/72/729108772.db2.gz HAKPUEQGVNGNAL-CQSZACIVSA-N 2 2 352.280 2.889 10 0 FFAELP Cc1nn(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c(C)c1Br ZINC000176082836 729108774 /nfs/dbraw/zinc/10/87/74/729108774.db2.gz HAKPUEQGVNGNAL-CQSZACIVSA-N 2 2 352.280 2.889 10 0 FFAELP C[N@H+](Cc1ccccc1NC(=O)NC[C@@H]1C[NH+](C)CCO1)C1CCCCC1 ZINC000105280143 250207850 /nfs/dbraw/zinc/20/78/50/250207850.db2.gz RCWAYURHFBSAAT-LJQANCHMSA-N 2 2 374.529 2.903 10 0 FFAELP C[N@@H+](Cc1ccccc1NC(=O)NC[C@@H]1C[NH+](C)CCO1)C1CCCCC1 ZINC000105280143 250207853 /nfs/dbraw/zinc/20/78/53/250207853.db2.gz RCWAYURHFBSAAT-LJQANCHMSA-N 2 2 374.529 2.903 10 0 FFAELP C[NH+](Cc1ccccc1NC(=O)NC[C@@H]1C[N@H+](C)CCO1)C1CCCCC1 ZINC000105280143 250207855 /nfs/dbraw/zinc/20/78/55/250207855.db2.gz RCWAYURHFBSAAT-LJQANCHMSA-N 2 2 374.529 2.903 10 0 FFAELP C[NH+](Cc1ccccc1NC(=O)NC[C@@H]1C[N@@H+](C)CCO1)C1CCCCC1 ZINC000105280143 250207857 /nfs/dbraw/zinc/20/78/57/250207857.db2.gz RCWAYURHFBSAAT-LJQANCHMSA-N 2 2 374.529 2.903 10 0 FFAELP Cn1cc[nH+]c1CC1CC[NH+]([C@H](C(=O)NC2CC2)c2ccc(F)cc2)CC1 ZINC000106162899 250245663 /nfs/dbraw/zinc/24/56/63/250245663.db2.gz LYCNKVZQWAHFDH-FQEVSTJZSA-N 2 2 370.472 2.834 10 0 FFAELP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3ccccc3F)C[C@@H]2CCO)CC1 ZINC000022852926 220399880 /nfs/dbraw/zinc/39/98/80/220399880.db2.gz LOOULQCUALJHIS-FQEVSTJZSA-N 2 2 363.521 2.567 10 0 FFAELP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3ccccc3F)C[C@@H]2CCO)CC1 ZINC000022852926 220399884 /nfs/dbraw/zinc/39/98/84/220399884.db2.gz LOOULQCUALJHIS-FQEVSTJZSA-N 2 2 363.521 2.567 10 0 FFAELP OC[C@@H]1CCCN(c2cc(N[C@H]3CCC[N@@H+](C4CCCCC4)C3)nc[nH+]2)C1 ZINC000301203067 258033716 /nfs/dbraw/zinc/03/37/16/258033716.db2.gz OBSDXFVUFQUDBQ-MSOLQXFVSA-N 2 2 373.545 2.894 10 0 FFAELP OC[C@@H]1CCCN(c2cc(N[C@H]3CCC[N@H+](C4CCCCC4)C3)nc[nH+]2)C1 ZINC000301203067 258033718 /nfs/dbraw/zinc/03/37/18/258033718.db2.gz OBSDXFVUFQUDBQ-MSOLQXFVSA-N 2 2 373.545 2.894 10 0 FFAELP CCc1cc(NC[C@@H](c2cnn(C)c2)[NH+](C)C)nc(-c2ccncc2)[nH+]1 ZINC000301301426 258041666 /nfs/dbraw/zinc/04/16/66/258041666.db2.gz VHPWDQWSUPPSEI-KRWDZBQOSA-N 2 2 351.458 2.549 10 0 FFAELP C[C@@H]1CCN(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)[C@@H](C[NH3+])C1 ZINC000333096484 258249744 /nfs/dbraw/zinc/24/97/44/258249744.db2.gz DCHRQEYHEJWRRB-IIAWOOMASA-N 2 2 365.547 2.966 10 0 FFAELP C[C@@H]1CCN(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)[C@@H](C[NH3+])C1 ZINC000333096484 258249745 /nfs/dbraw/zinc/24/97/45/258249745.db2.gz DCHRQEYHEJWRRB-IIAWOOMASA-N 2 2 365.547 2.966 10 0 FFAELP CC[C@@H](O)C[NH+]1CCN(c2nc(C)[nH+]c(C)c2Cc2ccccc2C)CC1 ZINC000036340121 506402140 /nfs/dbraw/zinc/40/21/40/506402140.db2.gz QRKCKUYFGIIFHC-HXUWFJFHSA-N 2 2 368.525 2.886 10 0 FFAELP O=C(NCCc1cn2ccccc2[nH+]1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107829574 507868971 /nfs/dbraw/zinc/86/89/71/507868971.db2.gz OLPPDEVOOJUOFF-GOSISDBHSA-N 2 2 355.486 2.537 10 0 FFAELP CNc1cc(N2CCC[C@H]2C[NH2+]C/C=C/c2ccccc2OC)nc[nH+]1 ZINC000109069855 507935923 /nfs/dbraw/zinc/93/59/23/507935923.db2.gz OLJAIYGQXZBGTK-JZLODUJNSA-N 2 2 353.470 2.799 10 0 FFAELP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H]2CCCn3cc[nH+]c32)CC1 ZINC000081553730 508188390 /nfs/dbraw/zinc/18/83/90/508188390.db2.gz FJZNBZCQTBBUNG-LJQANCHMSA-N 2 2 352.482 2.850 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N(C)Cc2ccc(OC)cc2)C1 ZINC000114720547 508341994 /nfs/dbraw/zinc/34/19/94/508341994.db2.gz LHYRMVQNOFBLFO-GOSISDBHSA-N 2 2 370.497 2.750 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N(C)Cc2ccc(OC)cc2)C1 ZINC000114720547 508341997 /nfs/dbraw/zinc/34/19/97/508341997.db2.gz LHYRMVQNOFBLFO-GOSISDBHSA-N 2 2 370.497 2.750 10 0 FFAELP CNc1nc(N2CCC(CCC[NH+](C)C)CC2)[nH+]cc1Br ZINC000133744968 508443159 /nfs/dbraw/zinc/44/31/59/508443159.db2.gz OLMOVZDNMSMVEH-UHFFFAOYSA-N 2 2 356.312 2.839 10 0 FFAELP C(CC[NH+]1CCC([NH+]2CCCC2)CC1)C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000157905104 508630623 /nfs/dbraw/zinc/63/06/23/508630623.db2.gz LSSUMMTTWBJWNF-UHFFFAOYSA-N 4 2 362.606 2.887 10 0 FFAELP O[C@H](COc1cccc2[nH]ccc21)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000158915571 508768452 /nfs/dbraw/zinc/76/84/52/508768452.db2.gz MSVWCISLALZJJZ-SJORKVTESA-N 2 2 366.465 2.737 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000154554008 508808903 /nfs/dbraw/zinc/80/89/03/508808903.db2.gz BUPALPJGBOFWED-CQSZACIVSA-N 2 2 357.845 2.746 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000154554008 508808906 /nfs/dbraw/zinc/80/89/06/508808906.db2.gz BUPALPJGBOFWED-CQSZACIVSA-N 2 2 357.845 2.746 10 0 FFAELP Cc1cc2[nH+]cn(C[C@@H](O)C[NH+]3CCC(c4ccnn4C)CC3)c2cc1C ZINC000195504108 509197220 /nfs/dbraw/zinc/19/72/20/509197220.db2.gz OVLFQALIRIQGGL-SFHVURJKSA-N 2 2 367.497 2.627 10 0 FFAELP COc1ccc([C@@H](C)C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000172752797 509212553 /nfs/dbraw/zinc/21/25/53/509212553.db2.gz CNAAUPOUNDGNLU-GOSISDBHSA-N 2 2 373.541 2.865 10 0 FFAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CC[C@@]4(O)CCCC[C@@H]4C3)c2cc1C ZINC000248151119 509247780 /nfs/dbraw/zinc/24/77/80/509247780.db2.gz QUCPVZBSXZACSZ-OPYAIIAOSA-N 2 2 357.498 2.641 10 0 FFAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CC[C@@]4(O)CCCC[C@@H]4C3)c2cc1C ZINC000248151119 509247785 /nfs/dbraw/zinc/24/77/85/509247785.db2.gz QUCPVZBSXZACSZ-OPYAIIAOSA-N 2 2 357.498 2.641 10 0 FFAELP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H](F)C[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000188998644 509362905 /nfs/dbraw/zinc/36/29/05/509362905.db2.gz KHUVBUTVYRTVFG-DXEWXGHRSA-N 2 2 371.859 2.819 10 0 FFAELP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H](F)C[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000188998644 509362913 /nfs/dbraw/zinc/36/29/13/509362913.db2.gz KHUVBUTVYRTVFG-DXEWXGHRSA-N 2 2 371.859 2.819 10 0 FFAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+]([C@H]2CCCN(C(C)C)C2=O)C1 ZINC000248662641 509425784 /nfs/dbraw/zinc/42/57/84/509425784.db2.gz YPBOOJVJADMGEP-SJORKVTESA-N 2 2 364.559 2.605 10 0 FFAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+]([C@H]2CCCN(C(C)C)C2=O)C1 ZINC000248662641 509425789 /nfs/dbraw/zinc/42/57/89/509425789.db2.gz YPBOOJVJADMGEP-SJORKVTESA-N 2 2 364.559 2.605 10 0 FFAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+]([C@H]2CCCN(C(C)C)C2=O)C1 ZINC000248662641 509425795 /nfs/dbraw/zinc/42/57/95/509425795.db2.gz YPBOOJVJADMGEP-SJORKVTESA-N 2 2 364.559 2.605 10 0 FFAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+]([C@H]2CCCN(C(C)C)C2=O)C1 ZINC000248662641 509425799 /nfs/dbraw/zinc/42/57/99/509425799.db2.gz YPBOOJVJADMGEP-SJORKVTESA-N 2 2 364.559 2.605 10 0 FFAELP Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)c1 ZINC000182893621 509479917 /nfs/dbraw/zinc/47/99/17/509479917.db2.gz NYYMXTDSXKJNQR-FPOVZHCZSA-N 2 2 372.557 2.732 10 0 FFAELP C[NH+]1CCN([C@H]2CCCC[N@H+](Cc3ncc(Cl)cc3Cl)C2)CC1 ZINC000182891451 509480635 /nfs/dbraw/zinc/48/06/35/509480635.db2.gz QTCKEACBIHWATI-HNNXBMFYSA-N 2 2 357.329 2.990 10 0 FFAELP C[NH+]1CCN([C@H]2CCCC[N@@H+](Cc3ncc(Cl)cc3Cl)C2)CC1 ZINC000182891451 509480639 /nfs/dbraw/zinc/48/06/39/509480639.db2.gz QTCKEACBIHWATI-HNNXBMFYSA-N 2 2 357.329 2.990 10 0 FFAELP O[C@@H](C[NH2+][C@@H]1CCCNc2ccccc21)C[N@@H+]1CCc2ccccc2C1 ZINC000192655406 509585710 /nfs/dbraw/zinc/58/57/10/509585710.db2.gz JOWIXDUJAMXJBD-SIKLNZKXSA-N 2 2 351.494 2.942 10 0 FFAELP O[C@@H](C[NH2+][C@@H]1CCCNc2ccccc21)C[N@H+]1CCc2ccccc2C1 ZINC000192655406 509585715 /nfs/dbraw/zinc/58/57/15/509585715.db2.gz JOWIXDUJAMXJBD-SIKLNZKXSA-N 2 2 351.494 2.942 10 0 FFAELP CCN(C(=O)[C@@H]1CCCn2cc[nH+]c21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186313814 509640865 /nfs/dbraw/zinc/64/08/65/509640865.db2.gz PEGGQHQMDRSHOJ-RTBURBONSA-N 2 2 352.482 2.884 10 0 FFAELP CCN(C(=O)[C@@H]1CCCn2cc[nH+]c21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186313814 509640874 /nfs/dbraw/zinc/64/08/74/509640874.db2.gz PEGGQHQMDRSHOJ-RTBURBONSA-N 2 2 352.482 2.884 10 0 FFAELP COc1cc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)ccc1O ZINC000180071921 509738880 /nfs/dbraw/zinc/73/88/80/509738880.db2.gz REQYAPWLLZRYSY-UHFFFAOYSA-N 2 2 355.482 2.935 10 0 FFAELP COc1cc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)ccc1O ZINC000180071921 509738886 /nfs/dbraw/zinc/73/88/86/509738886.db2.gz REQYAPWLLZRYSY-UHFFFAOYSA-N 2 2 355.482 2.935 10 0 FFAELP C[C@@H](NC(=O)[C@@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1ccc2c(c1)CCCC2 ZINC000193626002 509995968 /nfs/dbraw/zinc/99/59/68/509995968.db2.gz LNCJKEIXJVBOQV-NBJYBMASSA-N 2 2 355.526 2.625 10 0 FFAELP C[C@@H](NC(=O)[C@@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1ccc2c(c1)CCCC2 ZINC000193626002 509995975 /nfs/dbraw/zinc/99/59/75/509995975.db2.gz LNCJKEIXJVBOQV-NBJYBMASSA-N 2 2 355.526 2.625 10 0 FFAELP C[C@@H](NC(=O)[C@@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1)c1ccc2c(c1)CCCC2 ZINC000193626002 509995984 /nfs/dbraw/zinc/99/59/84/509995984.db2.gz LNCJKEIXJVBOQV-NBJYBMASSA-N 2 2 355.526 2.625 10 0 FFAELP C[C@@H](NC(=O)[C@@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1)c1ccc2c(c1)CCCC2 ZINC000193626002 509995989 /nfs/dbraw/zinc/99/59/89/509995989.db2.gz LNCJKEIXJVBOQV-NBJYBMASSA-N 2 2 355.526 2.625 10 0 FFAELP Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)o1 ZINC000171235204 510026826 /nfs/dbraw/zinc/02/68/26/510026826.db2.gz DZXSYFSDWZNGOG-MRXNPFEDSA-N 2 2 357.454 2.710 10 0 FFAELP C[C@H]([NH2+]CC(=O)NC(=O)Nc1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180654989 510038237 /nfs/dbraw/zinc/03/82/37/510038237.db2.gz PEMGMWJGUAKBQB-HNNXBMFYSA-N 2 2 363.421 2.871 10 0 FFAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2c[nH]nc2-c2cccnc2)C1 ZINC000190477330 510154559 /nfs/dbraw/zinc/15/45/59/510154559.db2.gz TVQGVUCUCQIEFS-GOSISDBHSA-N 2 2 362.481 2.821 10 0 FFAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2c[nH]nc2-c2cccnc2)C1 ZINC000190477330 510154562 /nfs/dbraw/zinc/15/45/62/510154562.db2.gz TVQGVUCUCQIEFS-GOSISDBHSA-N 2 2 362.481 2.821 10 0 FFAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2cccnc2)C1 ZINC000190477330 510154570 /nfs/dbraw/zinc/15/45/70/510154570.db2.gz TVQGVUCUCQIEFS-GOSISDBHSA-N 2 2 362.481 2.821 10 0 FFAELP CC[C@H](C)c1ccc(NC(=O)C[N@@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)cc1 ZINC000245918782 510205741 /nfs/dbraw/zinc/20/57/41/510205741.db2.gz LOHHBZIJIARQHP-GHTZIAJQSA-N 2 2 372.557 2.850 10 0 FFAELP CC[C@H](C)c1ccc(NC(=O)C[N@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)cc1 ZINC000245918782 510205743 /nfs/dbraw/zinc/20/57/43/510205743.db2.gz LOHHBZIJIARQHP-GHTZIAJQSA-N 2 2 372.557 2.850 10 0 FFAELP CC(=O)c1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1 ZINC000245982545 510237824 /nfs/dbraw/zinc/23/78/24/510237824.db2.gz YSAWZANSYVLNQD-AUUYWEPGSA-N 2 2 354.454 2.886 10 0 FFAELP CC(=O)c1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1 ZINC000245982545 510237827 /nfs/dbraw/zinc/23/78/27/510237827.db2.gz YSAWZANSYVLNQD-AUUYWEPGSA-N 2 2 354.454 2.886 10 0 FFAELP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2S(C)(=O)=O)CC[N@@H+]1Cc1ccccc1 ZINC000246102216 510293544 /nfs/dbraw/zinc/29/35/44/510293544.db2.gz YJCUCVHUIXDZSI-RSPOEFSDSA-N 2 2 364.555 2.985 10 0 FFAELP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2S(C)(=O)=O)CC[N@H+]1Cc1ccccc1 ZINC000246102216 510293549 /nfs/dbraw/zinc/29/35/49/510293549.db2.gz YJCUCVHUIXDZSI-RSPOEFSDSA-N 2 2 364.555 2.985 10 0 FFAELP CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000194345006 510322473 /nfs/dbraw/zinc/32/24/73/510322473.db2.gz YLFJBAALKKDMLO-ZIFCJYIRSA-N 2 2 374.529 2.902 10 0 FFAELP CC[N@H+]1CCC[C@@H](NC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000194345006 510322477 /nfs/dbraw/zinc/32/24/77/510322477.db2.gz YLFJBAALKKDMLO-ZIFCJYIRSA-N 2 2 374.529 2.902 10 0 FFAELP CC[NH+]1CCC[C@@H](NC(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000194345006 510322487 /nfs/dbraw/zinc/32/24/87/510322487.db2.gz YLFJBAALKKDMLO-ZIFCJYIRSA-N 2 2 374.529 2.902 10 0 FFAELP CC[NH+]1CCC[C@@H](NC(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000194345006 510322494 /nfs/dbraw/zinc/32/24/94/510322494.db2.gz YLFJBAALKKDMLO-ZIFCJYIRSA-N 2 2 374.529 2.902 10 0 FFAELP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2cccc(OC(F)F)c2)nc[nH+]1 ZINC000171734052 510337327 /nfs/dbraw/zinc/33/73/27/510337327.db2.gz KHPYPBJYGUGGSZ-AWEZNQCLSA-N 2 2 363.412 2.878 10 0 FFAELP C[NH+]1CCN([C@@H]2CCCC[N@H+](Cc3ncc(-c4ccccc4)o3)C2)CC1 ZINC000174876419 510360109 /nfs/dbraw/zinc/36/01/09/510360109.db2.gz KYAVUHKXVPQQLI-LJQANCHMSA-N 2 2 354.498 2.944 10 0 FFAELP C[NH+]1CCN([C@@H]2CCCC[N@@H+](Cc3ncc(-c4ccccc4)o3)C2)CC1 ZINC000174876419 510360115 /nfs/dbraw/zinc/36/01/15/510360115.db2.gz KYAVUHKXVPQQLI-LJQANCHMSA-N 2 2 354.498 2.944 10 0 FFAELP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000194431615 510361425 /nfs/dbraw/zinc/36/14/25/510361425.db2.gz XIJAZLGAEIXMCA-WOJBJXKFSA-N 2 2 367.497 2.579 10 0 FFAELP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000194431615 510361431 /nfs/dbraw/zinc/36/14/31/510361431.db2.gz XIJAZLGAEIXMCA-WOJBJXKFSA-N 2 2 367.497 2.579 10 0 FFAELP CCCCN(CCCC)C(=O)C[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000174880290 510362060 /nfs/dbraw/zinc/36/20/60/510362060.db2.gz HUDJYQTYVYTCQF-HXUWFJFHSA-N 2 2 366.594 2.517 10 0 FFAELP CCCCN(CCCC)C(=O)C[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000174880290 510362066 /nfs/dbraw/zinc/36/20/66/510362066.db2.gz HUDJYQTYVYTCQF-HXUWFJFHSA-N 2 2 366.594 2.517 10 0 FFAELP COc1ccccc1[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246206751 510363924 /nfs/dbraw/zinc/36/39/24/510363924.db2.gz YSZOHEZZUFSMGF-SJORKVTESA-N 2 2 368.481 2.701 10 0 FFAELP COc1ccccc1[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246206751 510363925 /nfs/dbraw/zinc/36/39/25/510363925.db2.gz YSZOHEZZUFSMGF-SJORKVTESA-N 2 2 368.481 2.701 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000178335772 510553087 /nfs/dbraw/zinc/55/30/87/510553087.db2.gz ZRFGXMDCTKSAPA-OAHLLOKOSA-N 2 2 367.409 2.635 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000178335772 510553093 /nfs/dbraw/zinc/55/30/93/510553093.db2.gz ZRFGXMDCTKSAPA-OAHLLOKOSA-N 2 2 367.409 2.635 10 0 FFAELP C[NH+]1CCC(Oc2ccc(N[C@@H](c3[nH]cc[nH+]3)c3cccnc3)cn2)CC1 ZINC000195101104 510668569 /nfs/dbraw/zinc/66/85/69/510668569.db2.gz LXFZYSYNYJSGDF-LJQANCHMSA-N 2 2 364.453 2.874 10 0 FFAELP C[NH+]1CCC(Oc2ccc(N[C@H](c3[nH]cc[nH+]3)c3cccnc3)cn2)CC1 ZINC000195101094 510668947 /nfs/dbraw/zinc/66/89/47/510668947.db2.gz LXFZYSYNYJSGDF-IBGZPJMESA-N 2 2 364.453 2.874 10 0 FFAELP O=C1O[C@H](C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CN1c1ccccc1 ZINC000246857617 510713937 /nfs/dbraw/zinc/71/39/37/510713937.db2.gz PLNBYLXMHRNZQT-PWIZWCRZSA-N 2 2 355.482 2.961 10 0 FFAELP O=C1O[C@H](C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CN1c1ccccc1 ZINC000246857617 510713952 /nfs/dbraw/zinc/71/39/52/510713952.db2.gz PLNBYLXMHRNZQT-PWIZWCRZSA-N 2 2 355.482 2.961 10 0 FFAELP O=C1O[C@H](C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CN1c1ccccc1 ZINC000246857617 510713962 /nfs/dbraw/zinc/71/39/62/510713962.db2.gz PLNBYLXMHRNZQT-PWIZWCRZSA-N 2 2 355.482 2.961 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NC[C@@H](C)Cn2cc[nH+]c2C)C1 ZINC000172457650 510735738 /nfs/dbraw/zinc/73/57/38/510735738.db2.gz ONMQCRIJINPZRR-WBVHZDCISA-N 2 2 358.490 2.633 10 0 FFAELP CCCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195263982 510744575 /nfs/dbraw/zinc/74/45/75/510744575.db2.gz AVLVUPWFEIUWLL-IAGOWNOFSA-N 2 2 366.575 2.900 10 0 FFAELP CCCCCNC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195263982 510744580 /nfs/dbraw/zinc/74/45/80/510744580.db2.gz AVLVUPWFEIUWLL-IAGOWNOFSA-N 2 2 366.575 2.900 10 0 FFAELP CCCCCNC(=O)[C@@H](C)[NH+]1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195263982 510744583 /nfs/dbraw/zinc/74/45/83/510744583.db2.gz AVLVUPWFEIUWLL-IAGOWNOFSA-N 2 2 366.575 2.900 10 0 FFAELP CCCCCNC(=O)[C@@H](C)[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195263982 510744586 /nfs/dbraw/zinc/74/45/86/510744586.db2.gz AVLVUPWFEIUWLL-IAGOWNOFSA-N 2 2 366.575 2.900 10 0 FFAELP Cc1ccccc1OC[C@@H](O)C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195281663 510758503 /nfs/dbraw/zinc/75/85/03/510758503.db2.gz CZIVHAKCNDVRJC-RTWAWAEBSA-N 2 2 369.509 2.584 10 0 FFAELP Cc1ccccc1OC[C@@H](O)C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195281663 510758511 /nfs/dbraw/zinc/75/85/11/510758511.db2.gz CZIVHAKCNDVRJC-RTWAWAEBSA-N 2 2 369.509 2.584 10 0 FFAELP Cc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195281663 510758517 /nfs/dbraw/zinc/75/85/17/510758517.db2.gz CZIVHAKCNDVRJC-RTWAWAEBSA-N 2 2 369.509 2.584 10 0 FFAELP Cc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195281663 510758526 /nfs/dbraw/zinc/75/85/26/510758526.db2.gz CZIVHAKCNDVRJC-RTWAWAEBSA-N 2 2 369.509 2.584 10 0 FFAELP C[C@H](C(=O)NCc1ccccc1)[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195285855 510762341 /nfs/dbraw/zinc/76/23/41/510762341.db2.gz JDNKLLJKQLQBGX-WIYYLYMNSA-N 2 2 366.509 2.540 10 0 FFAELP C[C@H](C(=O)NCc1ccccc1)[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195285855 510762347 /nfs/dbraw/zinc/76/23/47/510762347.db2.gz JDNKLLJKQLQBGX-WIYYLYMNSA-N 2 2 366.509 2.540 10 0 FFAELP C[C@H](C(=O)NCc1ccccc1)[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195285855 510762350 /nfs/dbraw/zinc/76/23/50/510762350.db2.gz JDNKLLJKQLQBGX-WIYYLYMNSA-N 2 2 366.509 2.540 10 0 FFAELP C[C@H](C(=O)NCc1ccccc1)[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195285855 510762354 /nfs/dbraw/zinc/76/23/54/510762354.db2.gz JDNKLLJKQLQBGX-WIYYLYMNSA-N 2 2 366.509 2.540 10 0 FFAELP C[C@@H](C(=O)Nc1ccccc1)[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195297184 510770184 /nfs/dbraw/zinc/77/01/84/510770184.db2.gz MRULKELBNYWTAR-PKOBYXMFSA-N 2 2 352.482 2.863 10 0 FFAELP C[C@@H](C(=O)Nc1ccccc1)[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195297184 510770187 /nfs/dbraw/zinc/77/01/87/510770187.db2.gz MRULKELBNYWTAR-PKOBYXMFSA-N 2 2 352.482 2.863 10 0 FFAELP C[C@@H](C(=O)Nc1ccccc1)[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195297184 510770190 /nfs/dbraw/zinc/77/01/90/510770190.db2.gz MRULKELBNYWTAR-PKOBYXMFSA-N 2 2 352.482 2.863 10 0 FFAELP C[C@@H](C(=O)Nc1ccccc1)[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195297184 510770193 /nfs/dbraw/zinc/77/01/93/510770193.db2.gz MRULKELBNYWTAR-PKOBYXMFSA-N 2 2 352.482 2.863 10 0 FFAELP COC(=O)c1ccccc1OCC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000182183341 510801019 /nfs/dbraw/zinc/80/10/19/510801019.db2.gz SJZGMTQNDIHIHK-INIZCTEOSA-N 2 2 355.438 2.681 10 0 FFAELP COC(=O)c1ccccc1OCC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000182183341 510801027 /nfs/dbraw/zinc/80/10/27/510801027.db2.gz SJZGMTQNDIHIHK-INIZCTEOSA-N 2 2 355.438 2.681 10 0 FFAELP CC[N@H+](Cc1ccc(C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)cc1)C(C)C ZINC000247180614 510849117 /nfs/dbraw/zinc/84/91/17/510849117.db2.gz RZSOKSWOTOXJHF-NQIIRXRSSA-N 2 2 373.541 2.710 10 0 FFAELP CC[N@@H+](Cc1ccc(C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)cc1)C(C)C ZINC000247180614 510849120 /nfs/dbraw/zinc/84/91/20/510849120.db2.gz RZSOKSWOTOXJHF-NQIIRXRSSA-N 2 2 373.541 2.710 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NCc2ccccc2OC)C1 ZINC000247806952 510870782 /nfs/dbraw/zinc/87/07/82/510870782.db2.gz SYDFUEZTOAXSPT-SJLPKXTDSA-N 2 2 370.497 2.796 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)NCc2ccccc2OC)C1 ZINC000247806952 510870783 /nfs/dbraw/zinc/87/07/83/510870783.db2.gz SYDFUEZTOAXSPT-SJLPKXTDSA-N 2 2 370.497 2.796 10 0 FFAELP Cc1nn(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c(C)c1Br ZINC000176082862 729108820 /nfs/dbraw/zinc/10/88/20/729108820.db2.gz HAKPUEQGVNGNAL-AWEZNQCLSA-N 2 2 352.280 2.889 10 0 FFAELP Cc1nn(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c(C)c1Br ZINC000176082862 729108822 /nfs/dbraw/zinc/10/88/22/729108822.db2.gz HAKPUEQGVNGNAL-AWEZNQCLSA-N 2 2 352.280 2.889 10 0 FFAELP COC(=O)[C@H](C)Oc1ccc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000092812903 250003022 /nfs/dbraw/zinc/00/30/22/250003022.db2.gz WQMGNTJCSQXVFK-FUHWJXTLSA-N 2 2 369.465 2.956 10 0 FFAELP COC(=O)[C@H](C)Oc1ccc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000092812903 250003028 /nfs/dbraw/zinc/00/30/28/250003028.db2.gz WQMGNTJCSQXVFK-FUHWJXTLSA-N 2 2 369.465 2.956 10 0 FFAELP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCc2cn3cc(Cl)ccc3[nH+]2)C1 ZINC000105104192 250199251 /nfs/dbraw/zinc/19/92/51/250199251.db2.gz AHFYLIQZQUZMGI-AWEZNQCLSA-N 2 2 363.893 2.907 10 0 FFAELP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NCc2cn3cc(Cl)ccc3[nH+]2)C1 ZINC000105104192 250199257 /nfs/dbraw/zinc/19/92/57/250199257.db2.gz AHFYLIQZQUZMGI-AWEZNQCLSA-N 2 2 363.893 2.907 10 0 FFAELP Cc1cccc(N2CCC(NC(=O)[C@H](c3ccccc3)[NH+](C)C)CC2)[nH+]1 ZINC000116836590 250318545 /nfs/dbraw/zinc/31/85/45/250318545.db2.gz DGZFCACGJUJZJF-FQEVSTJZSA-N 2 2 352.482 2.778 10 0 FFAELP Cn1c(CC2CC[NH2+]CC2)nnc1C[N@H+](C)Cc1cccc2ncccc12 ZINC000055088525 221058451 /nfs/dbraw/zinc/05/84/51/221058451.db2.gz DXRDVTWROKIBMN-UHFFFAOYSA-N 2 2 364.497 2.537 10 0 FFAELP Cn1c(CC2CC[NH2+]CC2)nnc1C[N@@H+](C)Cc1cccc2ncccc12 ZINC000055088525 221058453 /nfs/dbraw/zinc/05/84/53/221058453.db2.gz DXRDVTWROKIBMN-UHFFFAOYSA-N 2 2 364.497 2.537 10 0 FFAELP C[C@H]1CCCN(c2cc(NC3CC[NH+](C[C@H]4CCOC4)CC3)nc[nH+]2)C1 ZINC000301253374 258037960 /nfs/dbraw/zinc/03/79/60/258037960.db2.gz CHLDROFBVOTDLL-DLBZAZTESA-N 2 2 359.518 2.626 10 0 FFAELP C[C@H]1CCCN(c2cc(NC3CC[NH+](C[C@H]4CCOC4)CC3)[nH+]cn2)C1 ZINC000301253374 258037962 /nfs/dbraw/zinc/03/79/62/258037962.db2.gz CHLDROFBVOTDLL-DLBZAZTESA-N 2 2 359.518 2.626 10 0 FFAELP COc1ccc(C[NH2+]CC[NH2+]Cc2ccc(OC)c(OC)c2)cc1OC ZINC000019364604 507169391 /nfs/dbraw/zinc/16/93/91/507169391.db2.gz ILLLQBGNAXYEQT-UHFFFAOYSA-N 2 2 360.454 2.600 10 0 FFAELP CC(C)[C@@H](C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000107667082 507862540 /nfs/dbraw/zinc/86/25/40/507862540.db2.gz TVDIXRGWSFFICZ-YRPNKDGESA-N 2 2 365.562 2.597 10 0 FFAELP CC(C)[C@@H](C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000107667082 507862542 /nfs/dbraw/zinc/86/25/42/507862542.db2.gz TVDIXRGWSFFICZ-YRPNKDGESA-N 2 2 365.562 2.597 10 0 FFAELP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2ccc(OC(F)F)cc2)nc[nH+]1 ZINC000109069996 507935580 /nfs/dbraw/zinc/93/55/80/507935580.db2.gz OSIFFCPXFICDFM-AWEZNQCLSA-N 2 2 363.412 2.878 10 0 FFAELP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)NCc1cccc(C[NH+](C)C)c1)C2 ZINC000112743816 508219079 /nfs/dbraw/zinc/21/90/79/508219079.db2.gz PWJCSPPRNBMNOK-UHFFFAOYSA-N 2 2 369.513 2.873 10 0 FFAELP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000152437574 508445982 /nfs/dbraw/zinc/44/59/82/508445982.db2.gz YVSWBCOVEBERPP-ZWKOTPCHSA-N 2 2 361.534 2.505 10 0 FFAELP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000152437574 508445984 /nfs/dbraw/zinc/44/59/84/508445984.db2.gz YVSWBCOVEBERPP-ZWKOTPCHSA-N 2 2 361.534 2.505 10 0 FFAELP C[NH+]1CCN(c2ncc(C[NH2+][C@@H]3CC(C)(C)Oc4ccccc43)cn2)CC1 ZINC000134416485 508530543 /nfs/dbraw/zinc/53/05/43/508530543.db2.gz GXJJVNYHJHCIGZ-GOSISDBHSA-N 2 2 367.497 2.620 10 0 FFAELP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC=C(c3ccccc3F)CC2)CC1 ZINC000135522573 508616935 /nfs/dbraw/zinc/61/69/35/508616935.db2.gz JPWPHAOQUYOLRJ-UHFFFAOYSA-N 2 2 374.504 2.650 10 0 FFAELP O=C1[C@H]([N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CCN1c1c(F)cccc1F ZINC000119698718 508846412 /nfs/dbraw/zinc/84/64/12/508846412.db2.gz MRYHVSDWMKWVQN-RHSMWYFYSA-N 2 2 372.419 2.899 10 0 FFAELP O=C1[C@H]([N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CCN1c1c(F)cccc1F ZINC000119698718 508846413 /nfs/dbraw/zinc/84/64/13/508846413.db2.gz MRYHVSDWMKWVQN-RHSMWYFYSA-N 2 2 372.419 2.899 10 0 FFAELP COCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000125313548 508963837 /nfs/dbraw/zinc/96/38/37/508963837.db2.gz JHJOZQIQNFHQQT-PBHICJAKSA-N 2 2 352.442 2.796 10 0 FFAELP CC[NH+](CC)[C@@H](C)CNC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000125734817 509022986 /nfs/dbraw/zinc/02/29/86/509022986.db2.gz PPGMESNYEITANS-JKSUJKDBSA-N 2 2 352.548 2.867 10 0 FFAELP Cc1ccc(-c2n[nH]cc2C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)o1 ZINC000121197101 509148303 /nfs/dbraw/zinc/14/83/03/509148303.db2.gz QMJRLPNMHMWGIH-UHFFFAOYSA-N 2 2 368.485 2.771 10 0 FFAELP Cc1ccc(-c2n[nH]cc2C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)o1 ZINC000121197101 509148304 /nfs/dbraw/zinc/14/83/04/509148304.db2.gz QMJRLPNMHMWGIH-UHFFFAOYSA-N 2 2 368.485 2.771 10 0 FFAELP CC(C)Oc1ccc(CC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000188833772 509286646 /nfs/dbraw/zinc/28/66/46/509286646.db2.gz PINWWHJEQYAUDG-UHFFFAOYSA-N 2 2 373.541 2.691 10 0 FFAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000192003360 509289434 /nfs/dbraw/zinc/28/94/34/509289434.db2.gz CXRVDPALEMPHPN-SFHVURJKSA-N 3 2 356.514 2.705 10 0 FFAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000192003360 509289439 /nfs/dbraw/zinc/28/94/39/509289439.db2.gz CXRVDPALEMPHPN-SFHVURJKSA-N 3 2 356.514 2.705 10 0 FFAELP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH2+]Cc4nnc5n4CCCC5)[C@@H]3C2)cc1 ZINC000248898939 509536349 /nfs/dbraw/zinc/53/63/49/509536349.db2.gz WFAICGLIBIJGSB-IPMKNSEASA-N 2 2 351.498 2.615 10 0 FFAELP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH2+]Cc4nnc5n4CCCC5)[C@@H]3C2)cc1 ZINC000248898939 509536352 /nfs/dbraw/zinc/53/63/52/509536352.db2.gz WFAICGLIBIJGSB-IPMKNSEASA-N 2 2 351.498 2.615 10 0 FFAELP C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000248979058 509560718 /nfs/dbraw/zinc/56/07/18/509560718.db2.gz UWRWLMJJQKDEJN-CVEARBPZSA-N 2 2 359.495 2.980 10 0 FFAELP C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000248979058 509560724 /nfs/dbraw/zinc/56/07/24/509560724.db2.gz UWRWLMJJQKDEJN-CVEARBPZSA-N 2 2 359.495 2.980 10 0 FFAELP CCO[C@H]1C[C@H]([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C12CCOCC2 ZINC000186308066 509635718 /nfs/dbraw/zinc/63/57/18/509635718.db2.gz KSMZZBFBXGFFMO-HOTGVXAUSA-N 2 2 364.452 2.967 10 0 FFAELP CC1CC[NH+](CCCCNC(=O)N2CCCN(c3cccc[nH+]3)CC2)CC1 ZINC000186360444 509669788 /nfs/dbraw/zinc/66/97/88/509669788.db2.gz LMEJTHKARCQHAV-UHFFFAOYSA-N 2 2 373.545 2.815 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCC(=O)Nc2cc(N)ccc2F)C1 ZINC000177058572 509845758 /nfs/dbraw/zinc/84/57/58/509845758.db2.gz FXWKYMVQGZTKCB-HNNXBMFYSA-N 2 2 359.449 2.833 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCC(=O)Nc2cc(N)ccc2F)C1 ZINC000177058572 509845762 /nfs/dbraw/zinc/84/57/62/509845762.db2.gz FXWKYMVQGZTKCB-HNNXBMFYSA-N 2 2 359.449 2.833 10 0 FFAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2ccc(F)c(OC)c2)nc[nH+]1 ZINC000180567902 509989212 /nfs/dbraw/zinc/98/92/12/509989212.db2.gz ACKVDMXGDDJEQK-UKRRQHHQSA-N 2 2 359.449 2.986 10 0 FFAELP Cc1cc(NC(=O)[C@@H](C)[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)ccc1Br ZINC000193655426 510008480 /nfs/dbraw/zinc/00/84/80/510008480.db2.gz UPUFJGSQEAPPCY-MCIONIFRSA-N 2 2 366.303 2.578 10 0 FFAELP Cc1cc(NC(=O)[C@@H](C)[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)ccc1Br ZINC000193655426 510008488 /nfs/dbraw/zinc/00/84/88/510008488.db2.gz UPUFJGSQEAPPCY-MCIONIFRSA-N 2 2 366.303 2.578 10 0 FFAELP Cc1cc(NC(=O)[C@@H](C)[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)ccc1Br ZINC000193655426 510008493 /nfs/dbraw/zinc/00/84/93/510008493.db2.gz UPUFJGSQEAPPCY-MCIONIFRSA-N 2 2 366.303 2.578 10 0 FFAELP Cc1cc(NC(=O)[C@@H](C)[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)ccc1Br ZINC000193655426 510008499 /nfs/dbraw/zinc/00/84/99/510008499.db2.gz UPUFJGSQEAPPCY-MCIONIFRSA-N 2 2 366.303 2.578 10 0 FFAELP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccccc3OCC(=O)NCC3CC3)CC[C@H]21 ZINC000245744741 510121317 /nfs/dbraw/zinc/12/13/17/510121317.db2.gz GNQUVFULOJEESK-UYAOXDASSA-N 2 2 371.525 2.508 10 0 FFAELP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccccc3OCC(=O)NCC3CC3)CC[C@H]21 ZINC000245744741 510121327 /nfs/dbraw/zinc/12/13/27/510121327.db2.gz GNQUVFULOJEESK-UYAOXDASSA-N 2 2 371.525 2.508 10 0 FFAELP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccccc3OCC(=O)NCC3CC3)CC[C@H]21 ZINC000245744741 510121332 /nfs/dbraw/zinc/12/13/32/510121332.db2.gz GNQUVFULOJEESK-UYAOXDASSA-N 2 2 371.525 2.508 10 0 FFAELP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccccc3OCC(=O)NCC3CC3)CC[C@H]21 ZINC000245744741 510121339 /nfs/dbraw/zinc/12/13/39/510121339.db2.gz GNQUVFULOJEESK-UYAOXDASSA-N 2 2 371.525 2.508 10 0 FFAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](Cc2cc(C(N)=O)cs2)C1 ZINC000190462938 510145430 /nfs/dbraw/zinc/14/54/30/510145430.db2.gz ULNCNUIDFRYQPB-CYBMUJFWSA-N 2 2 364.540 2.566 10 0 FFAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(C(N)=O)cs2)C1 ZINC000190462938 510145437 /nfs/dbraw/zinc/14/54/37/510145437.db2.gz ULNCNUIDFRYQPB-CYBMUJFWSA-N 2 2 364.540 2.566 10 0 FFAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](Cc2cc(C(N)=O)cs2)C1 ZINC000190462938 510145442 /nfs/dbraw/zinc/14/54/42/510145442.db2.gz ULNCNUIDFRYQPB-CYBMUJFWSA-N 2 2 364.540 2.566 10 0 FFAELP CC(=O)Nc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)cc1 ZINC000190488814 510161246 /nfs/dbraw/zinc/16/12/46/510161246.db2.gz JBCORCCICJELHA-HXUWFJFHSA-N 2 2 352.482 2.994 10 0 FFAELP CC(=O)Nc1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)cc1 ZINC000190488814 510161255 /nfs/dbraw/zinc/16/12/55/510161255.db2.gz JBCORCCICJELHA-HXUWFJFHSA-N 2 2 352.482 2.994 10 0 FFAELP CC(=O)Nc1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)cc1 ZINC000190488814 510161262 /nfs/dbraw/zinc/16/12/62/510161262.db2.gz JBCORCCICJELHA-HXUWFJFHSA-N 2 2 352.482 2.994 10 0 FFAELP CC(=O)Nc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)cc1 ZINC000190488814 510161265 /nfs/dbraw/zinc/16/12/65/510161265.db2.gz JBCORCCICJELHA-HXUWFJFHSA-N 2 2 352.482 2.994 10 0 FFAELP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171641449 510269070 /nfs/dbraw/zinc/26/90/70/510269070.db2.gz NZPAICFRNNPMHJ-QRVBRYPASA-N 2 2 374.529 2.527 10 0 FFAELP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171641449 510269080 /nfs/dbraw/zinc/26/90/80/510269080.db2.gz NZPAICFRNNPMHJ-QRVBRYPASA-N 2 2 374.529 2.527 10 0 FFAELP CCOc1cccc(CNC(=O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000171641212 510269825 /nfs/dbraw/zinc/26/98/25/510269825.db2.gz SQQPHSOKCAYHRL-GOSISDBHSA-N 2 2 368.481 2.531 10 0 FFAELP CCOc1cccc(CNC(=O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000171641212 510269831 /nfs/dbraw/zinc/26/98/31/510269831.db2.gz SQQPHSOKCAYHRL-GOSISDBHSA-N 2 2 368.481 2.531 10 0 FFAELP COc1ccccc1CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246090591 510285496 /nfs/dbraw/zinc/28/54/96/510285496.db2.gz GFXBLXFIPDHGED-IRXDYDNUSA-N 2 2 368.481 2.529 10 0 FFAELP COc1ccccc1CNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246090591 510285502 /nfs/dbraw/zinc/28/55/02/510285502.db2.gz GFXBLXFIPDHGED-IRXDYDNUSA-N 2 2 368.481 2.529 10 0 FFAELP Cc1cccc2[nH+]c(CNC(=O)N[C@@H](C[NH+](C)C)c3ccccc3)cn21 ZINC000171758033 510350499 /nfs/dbraw/zinc/35/04/99/510350499.db2.gz DNFOTNLKMQINGQ-SFHVURJKSA-N 2 2 351.454 2.745 10 0 FFAELP C[C@@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000246198452 510356180 /nfs/dbraw/zinc/35/61/80/510356180.db2.gz AQQACVNCFGPNMQ-PKOBYXMFSA-N 2 2 369.513 2.900 10 0 FFAELP C[C@@H](c1nc(-c2ccccc2)no1)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000246198452 510356188 /nfs/dbraw/zinc/35/61/88/510356188.db2.gz AQQACVNCFGPNMQ-PKOBYXMFSA-N 2 2 369.513 2.900 10 0 FFAELP C[NH+]1CCN([C@@H]2CCCC[N@H+](Cc3nccn3Cc3ccccc3)C2)CC1 ZINC000174897942 510374517 /nfs/dbraw/zinc/37/45/17/510374517.db2.gz GJFVLOAHYIZIDL-OAQYLSRUSA-N 2 2 367.541 2.533 10 0 FFAELP C[NH+]1CCN([C@@H]2CCCC[N@@H+](Cc3nccn3Cc3ccccc3)C2)CC1 ZINC000174897942 510374523 /nfs/dbraw/zinc/37/45/23/510374523.db2.gz GJFVLOAHYIZIDL-OAQYLSRUSA-N 2 2 367.541 2.533 10 0 FFAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000246228201 510377090 /nfs/dbraw/zinc/37/70/90/510377090.db2.gz MFOPXYJNIFLUPB-YZGWKJHDSA-N 2 2 351.498 2.556 10 0 FFAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000246228201 510377097 /nfs/dbraw/zinc/37/70/97/510377097.db2.gz MFOPXYJNIFLUPB-YZGWKJHDSA-N 2 2 351.498 2.556 10 0 FFAELP COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c(OC)c1 ZINC000246415917 510478017 /nfs/dbraw/zinc/47/80/17/510478017.db2.gz MWJPBJXXTDLUJW-RLFYNMQTSA-N 2 2 363.502 2.739 10 0 FFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000178303069 510536311 /nfs/dbraw/zinc/53/63/11/510536311.db2.gz FRWXSCNCZKQENX-HNNXBMFYSA-N 2 2 369.437 2.852 10 0 FFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000178303069 510536315 /nfs/dbraw/zinc/53/63/15/510536315.db2.gz FRWXSCNCZKQENX-HNNXBMFYSA-N 2 2 369.437 2.852 10 0 FFAELP CC(C)CC[NH+]1CCC(CNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)CC1 ZINC000175766763 510780364 /nfs/dbraw/zinc/78/03/64/510780364.db2.gz KRNHXROXLZOIPR-LJQANCHMSA-N 2 2 361.534 2.815 10 0 FFAELP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)nc[nH+]1 ZINC000333573968 511289693 /nfs/dbraw/zinc/28/96/93/511289693.db2.gz SHVWVBKBMDICSP-LLYLOPHFSA-N 2 2 359.518 2.656 10 0 FFAELP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)[nH+]cn1 ZINC000333573968 511289698 /nfs/dbraw/zinc/28/96/98/511289698.db2.gz SHVWVBKBMDICSP-LLYLOPHFSA-N 2 2 359.518 2.656 10 0 FFAELP Cc1nc(CN(C)[C@H]2CCC[N@H+](Cc3cccc4[nH+]ccn43)CC2)no1 ZINC000328625999 511898678 /nfs/dbraw/zinc/89/86/78/511898678.db2.gz DQXKTNNFBZLRSJ-INIZCTEOSA-N 2 2 354.458 2.512 10 0 FFAELP Cc1nc(CN(C)[C@H]2CCC[N@@H+](Cc3cccc4[nH+]ccn43)CC2)no1 ZINC000328625999 511898684 /nfs/dbraw/zinc/89/86/84/511898684.db2.gz DQXKTNNFBZLRSJ-INIZCTEOSA-N 2 2 354.458 2.512 10 0 FFAELP Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)c1O ZINC000187050074 729372007 /nfs/dbraw/zinc/37/20/07/729372007.db2.gz OOKLHIRCKMHZMJ-UKRRQHHQSA-N 2 2 371.319 2.961 10 0 FFAELP CC[NH+](CC)[C@@H](C(=O)NCc1ccnc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000104147366 250168693 /nfs/dbraw/zinc/16/86/93/250168693.db2.gz AOMAEXZKYFTWRN-HXUWFJFHSA-N 2 2 363.465 2.967 10 0 FFAELP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1F ZINC000105190151 250202401 /nfs/dbraw/zinc/20/24/01/250202401.db2.gz OFMSXSYCYGMQLV-QGZVFWFLSA-N 2 2 371.460 2.700 10 0 FFAELP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cc1F ZINC000105190151 250202407 /nfs/dbraw/zinc/20/24/07/250202407.db2.gz OFMSXSYCYGMQLV-QGZVFWFLSA-N 2 2 371.460 2.700 10 0 FFAELP CCc1nc(NC(=O)C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)sc1C ZINC000106163678 250246565 /nfs/dbraw/zinc/24/65/65/250246565.db2.gz YIMOOVSZJCGMPD-UHFFFAOYSA-N 2 2 361.515 2.641 10 0 FFAELP CCn1cc(CN2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)cn1 ZINC000106158327 250246680 /nfs/dbraw/zinc/24/66/80/250246680.db2.gz IEIUDEAYTLOIKI-UHFFFAOYSA-N 2 2 364.497 2.797 10 0 FFAELP CCn1cc(CN2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)cn1 ZINC000106158327 250246684 /nfs/dbraw/zinc/24/66/84/250246684.db2.gz IEIUDEAYTLOIKI-UHFFFAOYSA-N 2 2 364.497 2.797 10 0 FFAELP CC(=O)c1ccc(NC(=O)[C@@H](C)[NH+]2CCC(Cc3[nH+]ccn3C)CC2)cc1 ZINC000106164730 250246699 /nfs/dbraw/zinc/24/66/99/250246699.db2.gz KLSIZOBMEWBVNW-OAHLLOKOSA-N 2 2 368.481 2.904 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)N2CCc3ccccc3C2)C1 ZINC000106216522 250255475 /nfs/dbraw/zinc/25/54/75/250255475.db2.gz YOAMFKVNOHJWKC-IBGZPJMESA-N 2 2 352.482 2.667 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)N2CCc3ccccc3C2)C1 ZINC000106216522 250255478 /nfs/dbraw/zinc/25/54/78/250255478.db2.gz YOAMFKVNOHJWKC-IBGZPJMESA-N 2 2 352.482 2.667 10 0 FFAELP Cc1cccc(N2CCC(NC(=O)[C@@H](c3ccccc3)[NH+](C)C)CC2)[nH+]1 ZINC000116836588 250318433 /nfs/dbraw/zinc/31/84/33/250318433.db2.gz DGZFCACGJUJZJF-HXUWFJFHSA-N 2 2 352.482 2.778 10 0 FFAELP O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000117573720 250353122 /nfs/dbraw/zinc/35/31/22/250353122.db2.gz XJYRGDRHIMGSRG-UHFFFAOYSA-N 2 2 368.481 2.637 10 0 FFAELP CCc1nn(C)c(Cl)c1C[NH+]1CCN(c2cc(CC)[nH+]c(C)n2)CC1 ZINC000302046630 258084215 /nfs/dbraw/zinc/08/42/15/258084215.db2.gz LEGNZIPYTKMMQT-UHFFFAOYSA-N 2 2 362.909 2.619 10 0 FFAELP CC(C)[C@H]1OCCC[C@@H]1Nc1nc(NCc2cn3c([nH+]2)CCCC3)cc[nH+]1 ZINC000330127185 258156037 /nfs/dbraw/zinc/15/60/37/258156037.db2.gz IYIXKDYGKXSMLK-QFBILLFUSA-N 2 2 370.501 2.659 10 0 FFAELP Cc1cc(C)c(NC(=O)N(C)C2CC[NH+](CCn3cccn3)CC2)c(C)[nH+]1 ZINC000333153558 258252931 /nfs/dbraw/zinc/25/29/31/258252931.db2.gz FYPBUHHJEXOBAD-UHFFFAOYSA-N 2 2 370.501 2.832 10 0 FFAELP C[C@@H]([NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000091349406 507981885 /nfs/dbraw/zinc/98/18/85/507981885.db2.gz GXTPWSVBZRYVOS-LSDHHAIUSA-N 2 2 370.478 2.932 10 0 FFAELP CC(C)[N@H+](C)Cc1ccccc1CNc1cc(N2CCC[C@@H]2CO)nc[nH+]1 ZINC000110212065 508014097 /nfs/dbraw/zinc/01/40/97/508014097.db2.gz UBHUSBGMHKTHNJ-LJQANCHMSA-N 2 2 369.513 2.890 10 0 FFAELP CC(C)[N@@H+](C)Cc1ccccc1CNc1cc(N2CCC[C@@H]2CO)nc[nH+]1 ZINC000110212065 508014101 /nfs/dbraw/zinc/01/41/01/508014101.db2.gz UBHUSBGMHKTHNJ-LJQANCHMSA-N 2 2 369.513 2.890 10 0 FFAELP CC(C)[N@H+](C)Cc1ccccc1CNc1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000110212065 508014104 /nfs/dbraw/zinc/01/41/04/508014104.db2.gz UBHUSBGMHKTHNJ-LJQANCHMSA-N 2 2 369.513 2.890 10 0 FFAELP CC(C)[N@@H+](C)Cc1ccccc1CNc1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000110212065 508014107 /nfs/dbraw/zinc/01/41/07/508014107.db2.gz UBHUSBGMHKTHNJ-LJQANCHMSA-N 2 2 369.513 2.890 10 0 FFAELP COc1ccc(-c2n[nH]cc2C[NH+]2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)cc1 ZINC000092091101 508041926 /nfs/dbraw/zinc/04/19/26/508041926.db2.gz CMFVIWLLZYOHTB-INIZCTEOSA-N 2 2 370.497 2.770 10 0 FFAELP COc1ccc(-c2n[nH]cc2C[NH+]2CCC([N@H+]3CCO[C@@H](C)C3)CC2)cc1 ZINC000092091101 508041929 /nfs/dbraw/zinc/04/19/29/508041929.db2.gz CMFVIWLLZYOHTB-INIZCTEOSA-N 2 2 370.497 2.770 10 0 FFAELP C[C@@H](NC(=O)N1CC[NH+](CC2CC2)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000074876098 508066604 /nfs/dbraw/zinc/06/66/04/508066604.db2.gz JUJVZTDSEMMVAG-MRXNPFEDSA-N 2 2 353.470 2.671 10 0 FFAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105085165 508360542 /nfs/dbraw/zinc/36/05/42/508360542.db2.gz JMEQDYOHVUKEMP-QGZVFWFLSA-N 2 2 355.486 2.615 10 0 FFAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000105085165 508360544 /nfs/dbraw/zinc/36/05/44/508360544.db2.gz JMEQDYOHVUKEMP-QGZVFWFLSA-N 2 2 355.486 2.615 10 0 FFAELP CC[C@H](O)C[NH+]1CCN(C(=O)c2ccc(C)c(Oc3cc[nH+]cc3)c2)CC1 ZINC000115373195 508388520 /nfs/dbraw/zinc/38/85/20/508388520.db2.gz KTODIVHSFFNNCT-SFHVURJKSA-N 2 2 369.465 2.711 10 0 FFAELP CCN(CC)c1ccc(CNC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)c[nH+]1 ZINC000106432358 508400653 /nfs/dbraw/zinc/40/06/53/508400653.db2.gz DPPWNDOJRGQPJQ-LJQANCHMSA-N 2 2 354.498 2.717 10 0 FFAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000157499743 508574836 /nfs/dbraw/zinc/57/48/36/508574836.db2.gz HWJBCWFRNJSDSA-AEFFLSMTSA-N 2 2 359.518 2.600 10 0 FFAELP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000157499743 508574837 /nfs/dbraw/zinc/57/48/37/508574837.db2.gz HWJBCWFRNJSDSA-AEFFLSMTSA-N 2 2 359.518 2.600 10 0 FFAELP OC[C@@H](Cc1c[nH]c2ccccc12)[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000124149070 508789181 /nfs/dbraw/zinc/78/91/81/508789181.db2.gz KGYOQBLJKPELPL-HXUWFJFHSA-N 2 2 364.493 2.721 10 0 FFAELP CCCn1cc(C[N@@H+]2CCCN(c3cc(NCC4CC4)[nH+]cn3)CC2)cn1 ZINC000119540124 508815505 /nfs/dbraw/zinc/81/55/05/508815505.db2.gz SEURWQDAUNWGHE-UHFFFAOYSA-N 2 2 369.517 2.617 10 0 FFAELP CCCn1cc(C[N@H+]2CCCN(c3cc(NCC4CC4)[nH+]cn3)CC2)cn1 ZINC000119540124 508815507 /nfs/dbraw/zinc/81/55/07/508815507.db2.gz SEURWQDAUNWGHE-UHFFFAOYSA-N 2 2 369.517 2.617 10 0 FFAELP CC[C@@H]1CN(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)CC[N@@H+]1CCOC ZINC000150915005 508922035 /nfs/dbraw/zinc/92/20/35/508922035.db2.gz IVPYWDKANQZNQY-GOSISDBHSA-N 2 2 371.485 2.662 10 0 FFAELP CC[C@@H]1CN(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)CC[N@H+]1CCOC ZINC000150915005 508922037 /nfs/dbraw/zinc/92/20/37/508922037.db2.gz IVPYWDKANQZNQY-GOSISDBHSA-N 2 2 371.485 2.662 10 0 FFAELP C([NH2+][C@@H]1CCO[C@@]2(CCSC2)C1)C1(C[NH+]2CCOCC2)CCCCC1 ZINC000125093732 508930280 /nfs/dbraw/zinc/93/02/80/508930280.db2.gz QVBSPPKANUFHFR-QUCCMNQESA-N 2 2 368.587 2.913 10 0 FFAELP Cn1cc[nH+]c1CC1CC[NH+]([C@H]2CCN(c3c(F)cccc3F)C2=O)CC1 ZINC000120553921 509019743 /nfs/dbraw/zinc/01/97/43/509019743.db2.gz IDWNAUZOXHTPDS-KRWDZBQOSA-N 2 2 374.435 2.758 10 0 FFAELP C[C@@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(F)cc1N(C)C ZINC000151799485 509085765 /nfs/dbraw/zinc/08/57/65/509085765.db2.gz DCOXWGNMMSKAMX-UZLBHIALSA-N 2 2 371.500 2.962 10 0 FFAELP C[C@@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(F)cc1N(C)C ZINC000151799485 509085768 /nfs/dbraw/zinc/08/57/68/509085768.db2.gz DCOXWGNMMSKAMX-UZLBHIALSA-N 2 2 371.500 2.962 10 0 FFAELP COc1ccc(Cl)c(C[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c1 ZINC000192118964 509354313 /nfs/dbraw/zinc/35/43/13/509354313.db2.gz LETSXVRAQMQXMP-QGZVFWFLSA-N 2 2 351.922 2.951 10 0 FFAELP COc1ccc(Cl)c(C[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c1 ZINC000192118964 509354318 /nfs/dbraw/zinc/35/43/18/509354318.db2.gz LETSXVRAQMQXMP-QGZVFWFLSA-N 2 2 351.922 2.951 10 0 FFAELP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000176233721 509394292 /nfs/dbraw/zinc/39/42/92/509394292.db2.gz JFOHGYINWOVFHM-GOSISDBHSA-N 2 2 373.476 2.766 10 0 FFAELP NC(=O)[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)c1ccc(F)cc1 ZINC000248696787 509440270 /nfs/dbraw/zinc/44/02/70/509440270.db2.gz DGGYXMPVENEUGS-GFOJFJKKSA-N 2 2 367.468 2.852 10 0 FFAELP NC(=O)[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)c1ccc(F)cc1 ZINC000248696787 509440280 /nfs/dbraw/zinc/44/02/80/509440280.db2.gz DGGYXMPVENEUGS-GFOJFJKKSA-N 2 2 367.468 2.852 10 0 FFAELP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000248790172 509485983 /nfs/dbraw/zinc/48/59/83/509485983.db2.gz XIJAZLGAEIXMCA-UXHICEINSA-N 2 2 367.497 2.579 10 0 FFAELP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000248790172 509485989 /nfs/dbraw/zinc/48/59/89/509485989.db2.gz XIJAZLGAEIXMCA-UXHICEINSA-N 2 2 367.497 2.579 10 0 FFAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H]2CCc3c(cccc3OC)C2)nc[nH+]1 ZINC000192445277 509520327 /nfs/dbraw/zinc/52/03/27/509520327.db2.gz TTZRPGVKXKZGAT-IAGOWNOFSA-N 2 2 367.497 2.643 10 0 FFAELP CCOCC[N@@H+]1CCN(C(=O)c2oc3ccccc3c2C[NH+](C)C)C[C@H]1C ZINC000173663181 509706886 /nfs/dbraw/zinc/70/68/86/509706886.db2.gz AUEGCDLQUDILAD-MRXNPFEDSA-N 2 2 373.497 2.677 10 0 FFAELP CCOCC[N@H+]1CCN(C(=O)c2oc3ccccc3c2C[NH+](C)C)C[C@H]1C ZINC000173663181 509706891 /nfs/dbraw/zinc/70/68/91/509706891.db2.gz AUEGCDLQUDILAD-MRXNPFEDSA-N 2 2 373.497 2.677 10 0 FFAELP O=C(NC1CC1)[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000170778902 509773554 /nfs/dbraw/zinc/77/35/54/509773554.db2.gz UOMXGVXQJFZTBD-YWZLYKJASA-N 2 2 368.456 2.974 10 0 FFAELP O=C(NC1CC1)[C@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000170778902 509773564 /nfs/dbraw/zinc/77/35/64/509773564.db2.gz UOMXGVXQJFZTBD-YWZLYKJASA-N 2 2 368.456 2.974 10 0 FFAELP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2cnc(-c3ccco3)s2)nc[nH+]1 ZINC000193091470 509775498 /nfs/dbraw/zinc/77/54/98/509775498.db2.gz IFQFTPBQLSPZAL-CYBMUJFWSA-N 2 2 370.482 2.993 10 0 FFAELP CC[N@H+](Cc1ccc(C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)cc1)C(C)C ZINC000173966056 509879172 /nfs/dbraw/zinc/87/91/72/509879172.db2.gz RZSOKSWOTOXJHF-GHTZIAJQSA-N 2 2 373.541 2.710 10 0 FFAELP CC[N@@H+](Cc1ccc(C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)cc1)C(C)C ZINC000173966056 509879184 /nfs/dbraw/zinc/87/91/84/509879184.db2.gz RZSOKSWOTOXJHF-GHTZIAJQSA-N 2 2 373.541 2.710 10 0 FFAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2ccccc2N(C)C)nc[nH+]1 ZINC000180565938 509986649 /nfs/dbraw/zinc/98/66/49/509986649.db2.gz ICANXVYEIVRNSC-HZPDHXFCSA-N 2 2 354.502 2.904 10 0 FFAELP C[N@H+]1C[C@@H]2C[NH+]([C@@H]3CCN(c4ccc(Cl)cc4Cl)C3=O)C[C@@H]2C1 ZINC000193653086 510006214 /nfs/dbraw/zinc/00/62/14/510006214.db2.gz OTCUNOQBYYRQAS-BFQNTYOBSA-N 2 2 354.281 2.592 10 0 FFAELP C[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCN(c4ccc(Cl)cc4Cl)C3=O)C[C@@H]2C1 ZINC000193653086 510006217 /nfs/dbraw/zinc/00/62/17/510006217.db2.gz OTCUNOQBYYRQAS-BFQNTYOBSA-N 2 2 354.281 2.592 10 0 FFAELP C[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCN(c4ccc(Cl)cc4Cl)C3=O)C[C@@H]2C1 ZINC000193653086 510006224 /nfs/dbraw/zinc/00/62/24/510006224.db2.gz OTCUNOQBYYRQAS-BFQNTYOBSA-N 2 2 354.281 2.592 10 0 FFAELP C[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCN(c4ccc(Cl)cc4Cl)C3=O)C[C@@H]2C1 ZINC000193653086 510006233 /nfs/dbraw/zinc/00/62/33/510006233.db2.gz OTCUNOQBYYRQAS-BFQNTYOBSA-N 2 2 354.281 2.592 10 0 FFAELP CCCCc1nnc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)s1 ZINC000245563261 510008228 /nfs/dbraw/zinc/00/82/28/510008228.db2.gz CVJQCWMUUGZVFV-KGLIPLIRSA-N 2 2 362.503 2.599 10 0 FFAELP CCCCc1nnc(NC(=O)C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)s1 ZINC000245563261 510008232 /nfs/dbraw/zinc/00/82/32/510008232.db2.gz CVJQCWMUUGZVFV-KGLIPLIRSA-N 2 2 362.503 2.599 10 0 FFAELP C[C@@H]([NH2+]CC(=O)NC(=O)Nc1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180655009 510038768 /nfs/dbraw/zinc/03/87/68/510038768.db2.gz PEMGMWJGUAKBQB-OAHLLOKOSA-N 2 2 363.421 2.871 10 0 FFAELP Cc1nn(C)c(OCC(F)(F)F)c1C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245749712 510126056 /nfs/dbraw/zinc/12/60/56/510126056.db2.gz HACBNJUBWUWYJI-DOMZBBRYSA-N 2 2 371.407 2.949 10 0 FFAELP Cc1nn(C)c(OCC(F)(F)F)c1C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245749712 510126061 /nfs/dbraw/zinc/12/60/61/510126061.db2.gz HACBNJUBWUWYJI-DOMZBBRYSA-N 2 2 371.407 2.949 10 0 FFAELP CC[N@H+](Cc1ccccn1)[C@@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245749392 510127366 /nfs/dbraw/zinc/12/73/66/510127366.db2.gz GLOIFKHTOYEHAH-RXVVDRJESA-N 2 2 366.509 2.683 10 0 FFAELP CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245749392 510127370 /nfs/dbraw/zinc/12/73/70/510127370.db2.gz GLOIFKHTOYEHAH-RXVVDRJESA-N 2 2 366.509 2.683 10 0 FFAELP CC[NH+](Cc1ccccn1)[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000245749392 510127372 /nfs/dbraw/zinc/12/73/72/510127372.db2.gz GLOIFKHTOYEHAH-RXVVDRJESA-N 2 2 366.509 2.683 10 0 FFAELP CC[NH+](Cc1ccccn1)[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000245749392 510127376 /nfs/dbraw/zinc/12/73/76/510127376.db2.gz GLOIFKHTOYEHAH-RXVVDRJESA-N 2 2 366.509 2.683 10 0 FFAELP CCc1nc(NC(=O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)sc1C ZINC000171641852 510270205 /nfs/dbraw/zinc/27/02/05/510270205.db2.gz QYYRGNWNZRXUNS-CQSZACIVSA-N 2 2 359.499 2.781 10 0 FFAELP CCc1nc(NC(=O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)sc1C ZINC000171641852 510270213 /nfs/dbraw/zinc/27/02/13/510270213.db2.gz QYYRGNWNZRXUNS-CQSZACIVSA-N 2 2 359.499 2.781 10 0 FFAELP Cc1cccc(C)c1OC[C@@H](O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171643577 510273413 /nfs/dbraw/zinc/27/34/13/510273413.db2.gz IOGVRFIRMIBDCO-MOPGFXCFSA-N 2 2 355.482 2.872 10 0 FFAELP Cc1cccc(C)c1OC[C@@H](O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171643577 510273423 /nfs/dbraw/zinc/27/34/23/510273423.db2.gz IOGVRFIRMIBDCO-MOPGFXCFSA-N 2 2 355.482 2.872 10 0 FFAELP COc1ccccc1[C@H](C)NC(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171645600 510274954 /nfs/dbraw/zinc/27/49/54/510274954.db2.gz YSZOHEZZUFSMGF-DLBZAZTESA-N 2 2 368.481 2.701 10 0 FFAELP COc1ccccc1[C@H](C)NC(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171645600 510274962 /nfs/dbraw/zinc/27/49/62/510274962.db2.gz YSZOHEZZUFSMGF-DLBZAZTESA-N 2 2 368.481 2.701 10 0 FFAELP COc1ccc(C)cc1NC(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171648134 510278132 /nfs/dbraw/zinc/27/81/32/510278132.db2.gz IMJJHEIFAYTOFH-INIZCTEOSA-N 2 2 354.454 2.771 10 0 FFAELP COc1ccc(C)cc1NC(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171648134 510278137 /nfs/dbraw/zinc/27/81/37/510278137.db2.gz IMJJHEIFAYTOFH-INIZCTEOSA-N 2 2 354.454 2.771 10 0 FFAELP C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246095687 510289028 /nfs/dbraw/zinc/28/90/28/510289028.db2.gz HBAYTPLKPVUGLE-GJZGRUSLSA-N 2 2 368.437 2.571 10 0 FFAELP C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246095687 510289032 /nfs/dbraw/zinc/28/90/32/510289032.db2.gz HBAYTPLKPVUGLE-GJZGRUSLSA-N 2 2 368.437 2.571 10 0 FFAELP C[C@H](CN1CCOCC1)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000246099050 510291155 /nfs/dbraw/zinc/29/11/55/510291155.db2.gz OKBXJKWTPOYFTF-FCEUIQTBSA-N 2 2 357.542 2.694 10 0 FFAELP C[C@H](CN1CCOCC1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000246099050 510291161 /nfs/dbraw/zinc/29/11/61/510291161.db2.gz OKBXJKWTPOYFTF-FCEUIQTBSA-N 2 2 357.542 2.694 10 0 FFAELP C[C@H](CN1CCOCC1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000246099050 510291165 /nfs/dbraw/zinc/29/11/65/510291165.db2.gz OKBXJKWTPOYFTF-FCEUIQTBSA-N 2 2 357.542 2.694 10 0 FFAELP C[C@H](CN1CCOCC1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000246099050 510291168 /nfs/dbraw/zinc/29/11/68/510291168.db2.gz OKBXJKWTPOYFTF-FCEUIQTBSA-N 2 2 357.542 2.694 10 0 FFAELP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000246166512 510332106 /nfs/dbraw/zinc/33/21/06/510332106.db2.gz REJWZAHDMIOJNT-HKUYNNGSSA-N 2 2 367.497 2.504 10 0 FFAELP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000246166512 510332111 /nfs/dbraw/zinc/33/21/11/510332111.db2.gz REJWZAHDMIOJNT-HKUYNNGSSA-N 2 2 367.497 2.504 10 0 FFAELP C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246171841 510335973 /nfs/dbraw/zinc/33/59/73/510335973.db2.gz SIFORXVTZCDSGN-KBPBESRZSA-N 2 2 359.861 2.891 10 0 FFAELP C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246171841 510335983 /nfs/dbraw/zinc/33/59/83/510335983.db2.gz SIFORXVTZCDSGN-KBPBESRZSA-N 2 2 359.861 2.891 10 0 FFAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](Cc3sccc3Cl)CC2)C1 ZINC000194385272 510339291 /nfs/dbraw/zinc/33/92/91/510339291.db2.gz RTDFXGCQJWROKG-OAHLLOKOSA-N 2 2 357.951 2.628 10 0 FFAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](Cc3sccc3Cl)CC2)C1 ZINC000194385272 510339293 /nfs/dbraw/zinc/33/92/93/510339293.db2.gz RTDFXGCQJWROKG-OAHLLOKOSA-N 2 2 357.951 2.628 10 0 FFAELP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000263192581 510604885 /nfs/dbraw/zinc/60/48/85/510604885.db2.gz IBMHLEUXEUTWLF-YMTOWFKASA-N 2 2 358.294 2.787 10 0 FFAELP CC[N@@H+]1CCC[C@@H](NC(=O)NCc2[nH+]ccn2CCCc2ccccc2)C1 ZINC000175707222 510747259 /nfs/dbraw/zinc/74/72/59/510747259.db2.gz HKLWWVUXNGOXMT-LJQANCHMSA-N 2 2 369.513 2.799 10 0 FFAELP CC[N@H+]1CCC[C@@H](NC(=O)NCc2[nH+]ccn2CCCc2ccccc2)C1 ZINC000175707222 510747266 /nfs/dbraw/zinc/74/72/66/510747266.db2.gz HKLWWVUXNGOXMT-LJQANCHMSA-N 2 2 369.513 2.799 10 0 FFAELP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3csc(-c4ccc(C(N)=O)cc4)n3)CC[C@H]21 ZINC000246998874 510790625 /nfs/dbraw/zinc/79/06/25/510790625.db2.gz PODPAIOIWZXHFK-SJLPKXTDSA-N 2 2 370.522 2.825 10 0 FFAELP C[N@H+]1CCC[C@@H]2C[NH+](Cc3csc(-c4ccc(C(N)=O)cc4)n3)CC[C@H]21 ZINC000246998874 510790634 /nfs/dbraw/zinc/79/06/34/510790634.db2.gz PODPAIOIWZXHFK-SJLPKXTDSA-N 2 2 370.522 2.825 10 0 FFAELP C[NH+]1CCC[C@@H]2C[N@H+](Cc3csc(-c4ccc(C(N)=O)cc4)n3)CC[C@H]21 ZINC000246998874 510790642 /nfs/dbraw/zinc/79/06/42/510790642.db2.gz PODPAIOIWZXHFK-SJLPKXTDSA-N 2 2 370.522 2.825 10 0 FFAELP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3csc(-c4ccc(C(N)=O)cc4)n3)CC[C@H]21 ZINC000246998874 510790648 /nfs/dbraw/zinc/79/06/48/510790648.db2.gz PODPAIOIWZXHFK-SJLPKXTDSA-N 2 2 370.522 2.825 10 0 FFAELP C[N@H+](Cc1ccccn1)[C@@H]1CCC[NH+](Cc2cnc3ncccn23)CC1 ZINC000328625686 511897577 /nfs/dbraw/zinc/89/75/77/511897577.db2.gz DKRCTQMSLPZQTI-GOSISDBHSA-N 2 2 350.470 2.611 10 0 FFAELP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH+](Cc2cnc3ncccn23)CC1 ZINC000328625686 511897586 /nfs/dbraw/zinc/89/75/86/511897586.db2.gz DKRCTQMSLPZQTI-GOSISDBHSA-N 2 2 350.470 2.611 10 0 FFAELP C[NH+](Cc1ccccn1)[C@@H]1CCC[N@H+](Cc2cnc3ncccn23)CC1 ZINC000328625686 511897592 /nfs/dbraw/zinc/89/75/92/511897592.db2.gz DKRCTQMSLPZQTI-GOSISDBHSA-N 2 2 350.470 2.611 10 0 FFAELP C[NH+](Cc1ccccn1)[C@@H]1CCC[N@@H+](Cc2cnc3ncccn23)CC1 ZINC000328625686 511897597 /nfs/dbraw/zinc/89/75/97/511897597.db2.gz DKRCTQMSLPZQTI-GOSISDBHSA-N 2 2 350.470 2.611 10 0 FFAELP C[N@H+](C[C@H](O)COc1ccccc1F)C1CCN(c2cccc[nH+]2)CC1 ZINC000370191738 512813498 /nfs/dbraw/zinc/81/34/98/512813498.db2.gz NJZSSQSIFRHHMH-KRWDZBQOSA-N 2 2 359.445 2.561 10 0 FFAELP C[N@@H+](C[C@H](O)COc1ccccc1F)C1CCN(c2cccc[nH+]2)CC1 ZINC000370191738 512813503 /nfs/dbraw/zinc/81/35/03/512813503.db2.gz NJZSSQSIFRHHMH-KRWDZBQOSA-N 2 2 359.445 2.561 10 0 FFAELP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000486867636 515668614 /nfs/dbraw/zinc/66/86/14/515668614.db2.gz HMLBORXHLROBGF-UXTNIJRTSA-N 2 2 358.408 2.698 10 0 FFAELP O[C@@H](C[NH2+][C@@H]1CCc2c1cccc2Br)C[NH+]1CCCCC1 ZINC000180044909 729201472 /nfs/dbraw/zinc/20/14/72/729201472.db2.gz QGIWJSOOBANFDY-SUMWQHHRSA-N 2 2 353.304 2.873 10 0 FFAELP CCCc1nc(C[N@H+](C)CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)no1 ZINC000106126915 250241509 /nfs/dbraw/zinc/24/15/09/250241509.db2.gz PJLMGLHQCFTYMT-LJQANCHMSA-N 2 2 372.513 2.900 10 0 FFAELP CCCc1nc(C[N@@H+](C)CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)no1 ZINC000106126915 250241513 /nfs/dbraw/zinc/24/15/13/250241513.db2.gz PJLMGLHQCFTYMT-LJQANCHMSA-N 2 2 372.513 2.900 10 0 FFAELP COc1ccccc1[C@@H](C)NC(=O)C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000106165621 250245840 /nfs/dbraw/zinc/24/58/40/250245840.db2.gz FQUVEOZBPUCAGN-MRXNPFEDSA-N 2 2 370.497 2.561 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(NC(C)=O)cc2)C1 ZINC000106216330 250255731 /nfs/dbraw/zinc/25/57/31/250255731.db2.gz FGPZXKFTICHJQX-GOSISDBHSA-N 2 2 369.469 2.680 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(NC(C)=O)cc2)C1 ZINC000106216330 250255737 /nfs/dbraw/zinc/25/57/37/250255737.db2.gz FGPZXKFTICHJQX-GOSISDBHSA-N 2 2 369.469 2.680 10 0 FFAELP Cc1sc2[nH]c(C[N@@H+]3CCC[C@H]3Cn3cc[nH+]c3C)nc(=O)c2c1C ZINC000163170016 251175820 /nfs/dbraw/zinc/17/58/20/251175820.db2.gz RHXZZOIZGCTVIA-AWEZNQCLSA-N 2 2 357.483 2.771 10 0 FFAELP Cc1sc2[nH]c(C[N@H+]3CCC[C@H]3Cn3cc[nH+]c3C)nc(=O)c2c1C ZINC000163170016 251175824 /nfs/dbraw/zinc/17/58/24/251175824.db2.gz RHXZZOIZGCTVIA-AWEZNQCLSA-N 2 2 357.483 2.771 10 0 FFAELP COc1ccc([C@H]2CCCN2C(=O)C[N@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000181085918 251240099 /nfs/dbraw/zinc/24/00/99/251240099.db2.gz QFEZATIZBOJLDP-LJQANCHMSA-N 2 2 356.470 2.577 10 0 FFAELP COc1ccc([C@H]2CCCN2C(=O)C[N@@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000181085918 251240105 /nfs/dbraw/zinc/24/01/05/251240105.db2.gz QFEZATIZBOJLDP-LJQANCHMSA-N 2 2 356.470 2.577 10 0 FFAELP COc1ccc(F)cc1[C@H]1[NH2+][C@@H](CO)[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000065432414 221218726 /nfs/dbraw/zinc/21/87/26/221218726.db2.gz QEARIPWSMAIUKT-YOUFYPILSA-N 2 2 356.441 2.588 10 0 FFAELP COc1ccc(F)cc1[C@H]1[NH2+][C@@H](CO)[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000065432414 221218727 /nfs/dbraw/zinc/21/87/27/221218727.db2.gz QEARIPWSMAIUKT-YOUFYPILSA-N 2 2 356.441 2.588 10 0 FFAELP Cc1cccc(Cc2c(C)[nH+]c(C)nc2N2CC[NH+](CC(C)(C)O)CC2)c1 ZINC000036316575 506401348 /nfs/dbraw/zinc/40/13/48/506401348.db2.gz FOLCAGNJWVIDDP-UHFFFAOYSA-N 2 2 368.525 2.886 10 0 FFAELP O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@@H]1CCCn2cc[nH+]c21 ZINC000080577460 508084883 /nfs/dbraw/zinc/08/48/83/508084883.db2.gz JXINMKYYGLLBDJ-GOSISDBHSA-N 2 2 356.445 2.680 10 0 FFAELP O=C(NC[C@@H](O)C[NH+]1CCCCC1)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000112211965 508160447 /nfs/dbraw/zinc/16/04/47/508160447.db2.gz PSKQQMZEOSMTEG-QGZVFWFLSA-N 2 2 370.453 2.842 10 0 FFAELP Cc1[nH+]c2ccccc2n1CCNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106427079 508400674 /nfs/dbraw/zinc/40/06/74/508400674.db2.gz WEMMXMCAPGDALR-HXUWFJFHSA-N 2 2 350.466 2.634 10 0 FFAELP COCC[N@@H+]1CCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)C[C@H]1C ZINC000117288478 508589648 /nfs/dbraw/zinc/58/96/48/508589648.db2.gz JHKUAUKRHMIIBT-MRXNPFEDSA-N 2 2 355.438 2.667 10 0 FFAELP COCC[N@H+]1CCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)C[C@H]1C ZINC000117288478 508589654 /nfs/dbraw/zinc/58/96/54/508589654.db2.gz JHKUAUKRHMIIBT-MRXNPFEDSA-N 2 2 355.438 2.667 10 0 FFAELP COC(=O)[C@H](c1cc(OC)cc(OC)c1)[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000154551079 508807798 /nfs/dbraw/zinc/80/77/98/508807798.db2.gz XGOPKFKBSWYNBN-APWZRJJASA-N 2 2 373.453 2.587 10 0 FFAELP COC(=O)[C@H](c1cc(OC)cc(OC)c1)[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000154551079 508807802 /nfs/dbraw/zinc/80/78/02/508807802.db2.gz XGOPKFKBSWYNBN-APWZRJJASA-N 2 2 373.453 2.587 10 0 FFAELP C([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)C1(C[NH+]2CCOCC2)CCCCC1 ZINC000125093325 508930344 /nfs/dbraw/zinc/93/03/44/508930344.db2.gz QVBSPPKANUFHFR-UYAOXDASSA-N 2 2 368.587 2.913 10 0 FFAELP C[C@H](C(=O)NC(=O)Nc1ccccc1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000151108336 508958442 /nfs/dbraw/zinc/95/84/42/508958442.db2.gz QKCBCESOLFZYMV-HZPDHXFCSA-N 2 2 367.453 2.552 10 0 FFAELP C[C@H](C(=O)NC(=O)Nc1ccccc1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000151108336 508958445 /nfs/dbraw/zinc/95/84/45/508958445.db2.gz QKCBCESOLFZYMV-HZPDHXFCSA-N 2 2 367.453 2.552 10 0 FFAELP Cc1cccc(S(=O)(=O)CCC[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000155256852 508960004 /nfs/dbraw/zinc/96/00/04/508960004.db2.gz YRHNTGPXDAOSGK-SFHVURJKSA-N 2 2 373.522 2.988 10 0 FFAELP Cc1cccc(S(=O)(=O)CCC[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000155256852 508960008 /nfs/dbraw/zinc/96/00/08/508960008.db2.gz YRHNTGPXDAOSGK-SFHVURJKSA-N 2 2 373.522 2.988 10 0 FFAELP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)C[N@@H+]1CCc3ccccc3C1)CC2 ZINC000151777565 509081129 /nfs/dbraw/zinc/08/11/29/509081129.db2.gz YFMNXXSFBXUVCT-UGKGYDQZSA-N 2 2 352.478 2.691 10 0 FFAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2nc3ccccc3o2)nc[nH+]1 ZINC000182451983 509246125 /nfs/dbraw/zinc/24/61/25/509246125.db2.gz YOPFBJMTXJYCGW-KBPBESRZSA-N 2 2 352.442 2.979 10 0 FFAELP C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248648224 509415863 /nfs/dbraw/zinc/41/58/63/509415863.db2.gz JMXFQJPWYMIYTC-GIVPXCGWSA-N 2 2 372.557 2.872 10 0 FFAELP C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248648224 509415867 /nfs/dbraw/zinc/41/58/67/509415867.db2.gz JMXFQJPWYMIYTC-GIVPXCGWSA-N 2 2 372.557 2.872 10 0 FFAELP C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248648224 509415875 /nfs/dbraw/zinc/41/58/75/509415875.db2.gz JMXFQJPWYMIYTC-GIVPXCGWSA-N 2 2 372.557 2.872 10 0 FFAELP C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248648224 509415878 /nfs/dbraw/zinc/41/58/78/509415878.db2.gz JMXFQJPWYMIYTC-GIVPXCGWSA-N 2 2 372.557 2.872 10 0 FFAELP CCCn1cc(C[N@@H+]2CCCN(C(=O)Nc3cc[nH+]cc3C)CC2)cn1 ZINC000179411150 509429553 /nfs/dbraw/zinc/42/95/53/509429553.db2.gz SGHFPCGBMRAIPW-UHFFFAOYSA-N 2 2 356.474 2.736 10 0 FFAELP CCCn1cc(C[N@H+]2CCCN(C(=O)Nc3cc[nH+]cc3C)CC2)cn1 ZINC000179411150 509429560 /nfs/dbraw/zinc/42/95/60/509429560.db2.gz SGHFPCGBMRAIPW-UHFFFAOYSA-N 2 2 356.474 2.736 10 0 FFAELP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000176350466 509460513 /nfs/dbraw/zinc/46/05/13/509460513.db2.gz YGGXNCVZXHTNDX-QGZVFWFLSA-N 2 2 371.485 2.910 10 0 FFAELP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000176350466 509460525 /nfs/dbraw/zinc/46/05/25/509460525.db2.gz YGGXNCVZXHTNDX-QGZVFWFLSA-N 2 2 371.485 2.910 10 0 FFAELP C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)c2ccc(C[NH3+])cc2)c2ccc(Cl)cc2)C1 ZINC000248860593 509514553 /nfs/dbraw/zinc/51/45/53/509514553.db2.gz GBBGUEXLCWUPAR-MOPGFXCFSA-N 2 2 373.884 2.600 10 0 FFAELP C[N@H+]1CCO[C@@H]([C@@H](NC(=O)c2ccc(C[NH3+])cc2)c2ccc(Cl)cc2)C1 ZINC000248860593 509514564 /nfs/dbraw/zinc/51/45/64/509514564.db2.gz GBBGUEXLCWUPAR-MOPGFXCFSA-N 2 2 373.884 2.600 10 0 FFAELP CCO[C@@H]1C[C@@H]([NH2+]CC2([NH+]3CCSCC3)CCCC2)C12CCOCC2 ZINC000186242130 509597210 /nfs/dbraw/zinc/59/72/10/509597210.db2.gz PCWHAJWZZNXSHQ-QZTJIDSGSA-N 2 2 368.587 2.912 10 0 FFAELP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1nc2ccc(Cl)cc2n1C ZINC000180044500 509722648 /nfs/dbraw/zinc/72/26/48/509722648.db2.gz MIGKLJGEMUCRHU-HIFRSBDPSA-N 2 2 350.894 2.724 10 0 FFAELP O[C@@H](C[NH2+]CCCc1ccc2c(c1)CCO2)C[N@@H+]1CCc2ccccc2C1 ZINC000193269752 509845042 /nfs/dbraw/zinc/84/50/42/509845042.db2.gz ILXAWWQAFXZALI-QFIPXVFZSA-N 2 2 366.505 2.563 10 0 FFAELP O[C@@H](C[NH2+]CCCc1ccc2c(c1)CCO2)C[N@H+]1CCc2ccccc2C1 ZINC000193269752 509845049 /nfs/dbraw/zinc/84/50/49/509845049.db2.gz ILXAWWQAFXZALI-QFIPXVFZSA-N 2 2 366.505 2.563 10 0 FFAELP CC(C)[NH2+]C1CC[NH+](C[C@@H](O)COc2cccc(Br)c2)CC1 ZINC000170986709 509878661 /nfs/dbraw/zinc/87/86/61/509878661.db2.gz ITACLMLUZRIFQV-MRXNPFEDSA-N 2 2 371.319 2.651 10 0 FFAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2ccc3c(c2)OCCO3)nc[nH+]1 ZINC000180572187 509991882 /nfs/dbraw/zinc/99/18/82/509991882.db2.gz ZHASTIBBQXHBMG-ZBFHGGJFSA-N 2 2 369.469 2.609 10 0 FFAELP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000177354784 510011196 /nfs/dbraw/zinc/01/11/96/510011196.db2.gz CVLDHMXPNYJCJO-DLBZAZTESA-N 2 2 373.526 2.956 10 0 FFAELP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000177374030 510019611 /nfs/dbraw/zinc/01/96/11/510019611.db2.gz VYTWECXZQJTFFV-SFHVURJKSA-N 2 2 359.518 2.698 10 0 FFAELP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000177374030 510019616 /nfs/dbraw/zinc/01/96/16/510019616.db2.gz VYTWECXZQJTFFV-SFHVURJKSA-N 2 2 359.518 2.698 10 0 FFAELP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000177391219 510032784 /nfs/dbraw/zinc/03/27/84/510032784.db2.gz RZEKHAGHIMWYNH-LJQANCHMSA-N 2 2 373.545 2.944 10 0 FFAELP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000177391219 510032791 /nfs/dbraw/zinc/03/27/91/510032791.db2.gz RZEKHAGHIMWYNH-LJQANCHMSA-N 2 2 373.545 2.944 10 0 FFAELP C[C@H]1Cc2ccccc2N1C(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171647989 510276780 /nfs/dbraw/zinc/27/67/80/510276780.db2.gz WKLCITQMFUHIEL-DLBZAZTESA-N 2 2 350.466 2.793 10 0 FFAELP C[C@H]1Cc2ccccc2N1C(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171647989 510276789 /nfs/dbraw/zinc/27/67/89/510276789.db2.gz WKLCITQMFUHIEL-DLBZAZTESA-N 2 2 350.466 2.793 10 0 FFAELP O[C@@H](C[NH2+]Cc1ccc(OCC2CC2)cc1)C[N@@H+]1CCc2ccccc2C1 ZINC000190751517 510323700 /nfs/dbraw/zinc/32/37/00/510323700.db2.gz XZYFBPMWVAQEND-QFIPXVFZSA-N 2 2 366.505 2.984 10 0 FFAELP O[C@@H](C[NH2+]Cc1ccc(OCC2CC2)cc1)C[N@H+]1CCc2ccccc2C1 ZINC000190751517 510323704 /nfs/dbraw/zinc/32/37/04/510323704.db2.gz XZYFBPMWVAQEND-QFIPXVFZSA-N 2 2 366.505 2.984 10 0 FFAELP C[NH+]1CCN([C@H]2CCCC[N@H+](Cc3ccn(-c4ccc(F)cc4)n3)C2)CC1 ZINC000174878596 510361987 /nfs/dbraw/zinc/36/19/87/510361987.db2.gz CUDUMAHVMWFHKR-NRFANRHFSA-N 2 2 371.504 2.613 10 0 FFAELP C[NH+]1CCN([C@H]2CCCC[N@@H+](Cc3ccn(-c4ccc(F)cc4)n3)C2)CC1 ZINC000174878596 510361994 /nfs/dbraw/zinc/36/19/94/510361994.db2.gz CUDUMAHVMWFHKR-NRFANRHFSA-N 2 2 371.504 2.613 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)Cn2c(C)[nH+]c3ccccc32)C1 ZINC000171821116 510391303 /nfs/dbraw/zinc/39/13/03/510391303.db2.gz CGIVYMCBFUZTBL-INIZCTEOSA-N 2 2 351.454 2.967 10 0 FFAELP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C[C@@H](C)O1 ZINC000171890267 510432452 /nfs/dbraw/zinc/43/24/52/510432452.db2.gz MKMLFINCSIIIJO-ZHALLVOQSA-N 2 2 372.513 2.608 10 0 FFAELP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2CC[N@H+]3CCC[C@@H]3C2)C[C@@H](C)O1 ZINC000171890267 510432455 /nfs/dbraw/zinc/43/24/55/510432455.db2.gz MKMLFINCSIIIJO-ZHALLVOQSA-N 2 2 372.513 2.608 10 0 FFAELP C[C@]1([NH3+])CCCC[C@@H]1C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000263154626 510588567 /nfs/dbraw/zinc/58/85/67/510588567.db2.gz DHWGLASIDSUWLB-CJNGLKHVSA-N 2 2 365.275 2.621 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccc(N(C)CCOC)nc2)C1 ZINC000191343893 510615228 /nfs/dbraw/zinc/61/52/28/510615228.db2.gz FMXWZJNBRJFQJH-SFHVURJKSA-N 2 2 357.502 2.760 10 0 FFAELP Cc1cnn([C@@H]2CCC[N@H+](C[C@@H](O)Cn3c[nH+]c4cc(C)c(C)cc43)C2)c1 ZINC000246912488 510741654 /nfs/dbraw/zinc/74/16/54/510741654.db2.gz AGLNPZZSHYMATI-RTBURBONSA-N 2 2 367.497 2.856 10 0 FFAELP Cc1cnn([C@@H]2CCC[N@@H+](C[C@@H](O)Cn3c[nH+]c4cc(C)c(C)cc43)C2)c1 ZINC000246912488 510741664 /nfs/dbraw/zinc/74/16/64/510741664.db2.gz AGLNPZZSHYMATI-RTBURBONSA-N 2 2 367.497 2.856 10 0 FFAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+]([C@@H]2CCCN(C(C)C)C2=O)C1 ZINC000195263268 510744647 /nfs/dbraw/zinc/74/46/47/510744647.db2.gz YPBOOJVJADMGEP-IAGOWNOFSA-N 2 2 364.559 2.605 10 0 FFAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+]([C@@H]2CCCN(C(C)C)C2=O)C1 ZINC000195263268 510744649 /nfs/dbraw/zinc/74/46/49/510744649.db2.gz YPBOOJVJADMGEP-IAGOWNOFSA-N 2 2 364.559 2.605 10 0 FFAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+]([C@@H]2CCCN(C(C)C)C2=O)C1 ZINC000195263268 510744653 /nfs/dbraw/zinc/74/46/53/510744653.db2.gz YPBOOJVJADMGEP-IAGOWNOFSA-N 2 2 364.559 2.605 10 0 FFAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+]([C@@H]2CCCN(C(C)C)C2=O)C1 ZINC000195263268 510744656 /nfs/dbraw/zinc/74/46/56/510744656.db2.gz YPBOOJVJADMGEP-IAGOWNOFSA-N 2 2 364.559 2.605 10 0 FFAELP CC(=O)Nc1cccc(NC(=O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246921445 510747675 /nfs/dbraw/zinc/74/76/75/510747675.db2.gz SMYBMUHXBBQYHN-JXFKEZNVSA-N 2 2 370.497 2.532 10 0 FFAELP CC(=O)Nc1cccc(NC(=O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246921445 510747679 /nfs/dbraw/zinc/74/76/79/510747679.db2.gz SMYBMUHXBBQYHN-JXFKEZNVSA-N 2 2 370.497 2.532 10 0 FFAELP CC(=O)Nc1cccc(NC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246921445 510747683 /nfs/dbraw/zinc/74/76/83/510747683.db2.gz SMYBMUHXBBQYHN-JXFKEZNVSA-N 2 2 370.497 2.532 10 0 FFAELP CC(=O)Nc1cccc(NC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246921445 510747688 /nfs/dbraw/zinc/74/76/88/510747688.db2.gz SMYBMUHXBBQYHN-JXFKEZNVSA-N 2 2 370.497 2.532 10 0 FFAELP C[C@@H](C(=O)N1CCCCCC1)[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195281028 510758605 /nfs/dbraw/zinc/75/86/05/510758605.db2.gz AIGHKIZRBBIXQB-AZUAARDMSA-N 2 2 358.530 2.626 10 0 FFAELP C[C@@H](C(=O)N1CCCCCC1)[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195281028 510758611 /nfs/dbraw/zinc/75/86/11/510758611.db2.gz AIGHKIZRBBIXQB-AZUAARDMSA-N 2 2 358.530 2.626 10 0 FFAELP C[C@@H](C(=O)N1CCCCCC1)[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195281028 510758617 /nfs/dbraw/zinc/75/86/17/510758617.db2.gz AIGHKIZRBBIXQB-AZUAARDMSA-N 2 2 358.530 2.626 10 0 FFAELP C[C@@H](C(=O)N1CCCCCC1)[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195281028 510758623 /nfs/dbraw/zinc/75/86/23/510758623.db2.gz AIGHKIZRBBIXQB-AZUAARDMSA-N 2 2 358.530 2.626 10 0 FFAELP COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c(OC)c1 ZINC000247068194 510825390 /nfs/dbraw/zinc/82/53/90/510825390.db2.gz OLPCEIORJBKVIT-GDBMZVCRSA-N 2 2 372.469 2.700 10 0 FFAELP COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c(OC)c1 ZINC000247068194 510825396 /nfs/dbraw/zinc/82/53/96/510825396.db2.gz OLPCEIORJBKVIT-GDBMZVCRSA-N 2 2 372.469 2.700 10 0 FFAELP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000247106548 510835826 /nfs/dbraw/zinc/83/58/26/510835826.db2.gz OVWUKTVACLXKKU-DENIHFKCSA-N 3 2 374.573 2.771 10 0 FFAELP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000247106548 510835830 /nfs/dbraw/zinc/83/58/30/510835830.db2.gz OVWUKTVACLXKKU-DENIHFKCSA-N 3 2 374.573 2.771 10 0 FFAELP Cc1cn2c([nH+]1)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)CCC2 ZINC000332682092 511090359 /nfs/dbraw/zinc/09/03/59/511090359.db2.gz IWYYXODOMNABSE-MJGOQNOKSA-N 2 2 370.472 2.989 10 0 FFAELP Cc1cn2c([nH+]1)[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)CCC2 ZINC000332682092 511090365 /nfs/dbraw/zinc/09/03/65/511090365.db2.gz IWYYXODOMNABSE-MJGOQNOKSA-N 2 2 370.472 2.989 10 0 FFAELP C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH+](Cc1cnc3cnccn13)CC2 ZINC000275635902 523604537 /nfs/dbraw/zinc/60/45/37/523604537.db2.gz JYDPHAROYXKKSM-INIZCTEOSA-N 2 2 368.510 2.672 10 0 FFAELP C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH+](Cc1cnc3cnccn13)CC2 ZINC000275635902 523604543 /nfs/dbraw/zinc/60/45/43/523604543.db2.gz JYDPHAROYXKKSM-INIZCTEOSA-N 2 2 368.510 2.672 10 0 FFAELP CC[N@@H+]1CCC[C@@H](CN(C)c2cc[nH+]c(C3CC3)n2)[C@@H]1c1cnn(C)c1 ZINC000328634583 529049272 /nfs/dbraw/zinc/04/92/72/529049272.db2.gz UFJVXKSXZXSZLS-QFBILLFUSA-N 2 2 354.502 2.997 10 0 FFAELP CC[N@H+]1CCC[C@@H](CN(C)c2cc[nH+]c(C3CC3)n2)[C@@H]1c1cnn(C)c1 ZINC000328634583 529049278 /nfs/dbraw/zinc/04/92/78/529049278.db2.gz UFJVXKSXZXSZLS-QFBILLFUSA-N 2 2 354.502 2.997 10 0 FFAELP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3ccccc3F)C[C@H]2CCO)CC1 ZINC000104306715 570858916 /nfs/dbraw/zinc/85/89/16/570858916.db2.gz LOOULQCUALJHIS-HXUWFJFHSA-N 2 2 363.521 2.567 10 0 FFAELP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3ccccc3F)C[C@H]2CCO)CC1 ZINC000104306715 570858919 /nfs/dbraw/zinc/85/89/19/570858919.db2.gz LOOULQCUALJHIS-HXUWFJFHSA-N 2 2 363.521 2.567 10 0 FFAELP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1cc(Br)ccc1O ZINC000185114628 729341635 /nfs/dbraw/zinc/34/16/35/729341635.db2.gz OLRIQTQTQUXKMV-TZMCWYRMSA-N 2 2 357.292 2.652 10 0 FFAELP CCc1c(C(=O)C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)[nH]c(C)c1C(C)=O ZINC000106162823 250245344 /nfs/dbraw/zinc/24/53/44/250245344.db2.gz CZYDMTIGIAFJPA-UHFFFAOYSA-N 2 2 370.497 2.959 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N(C)Cc2ccccc2F)C1 ZINC000106215966 250256169 /nfs/dbraw/zinc/25/61/69/250256169.db2.gz GAIVEPXEKMTLPX-QGZVFWFLSA-N 2 2 358.461 2.880 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N(C)Cc2ccccc2F)C1 ZINC000106215966 250256174 /nfs/dbraw/zinc/25/61/74/250256174.db2.gz GAIVEPXEKMTLPX-QGZVFWFLSA-N 2 2 358.461 2.880 10 0 FFAELP Cc1sc2[nH]c(C[N@@H+]3CCC[C@@H]3Cn3cc[nH+]c3C)nc(=O)c2c1C ZINC000163169887 251175886 /nfs/dbraw/zinc/17/58/86/251175886.db2.gz RHXZZOIZGCTVIA-CQSZACIVSA-N 2 2 357.483 2.771 10 0 FFAELP Cc1sc2[nH]c(C[N@H+]3CCC[C@@H]3Cn3cc[nH+]c3C)nc(=O)c2c1C ZINC000163169887 251175889 /nfs/dbraw/zinc/17/58/89/251175889.db2.gz RHXZZOIZGCTVIA-CQSZACIVSA-N 2 2 357.483 2.771 10 0 FFAELP C[C@@H]1CCC[C@](CNc2cc(N3CCCC[C@H]3CO)[nH+]cn2)([NH+](C)C)C1 ZINC000302887951 258114089 /nfs/dbraw/zinc/11/40/89/258114089.db2.gz MHSBZIBKPBRQLI-UWVAXJGDSA-N 2 2 361.534 2.750 10 0 FFAELP Cc1cn2c([nH+]1)[C@@H](CNC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1)CCC2 ZINC000332706032 258240665 /nfs/dbraw/zinc/24/06/65/258240665.db2.gz HLTNIMSTAWRNMV-MOPGFXCFSA-N 2 2 367.497 2.767 10 0 FFAELP Cc1cn2c([nH+]1)[C@@H](CNC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1)CCC2 ZINC000332706032 258240666 /nfs/dbraw/zinc/24/06/66/258240666.db2.gz HLTNIMSTAWRNMV-MOPGFXCFSA-N 2 2 367.497 2.767 10 0 FFAELP Cc1[nH+]c2ccccc2n1CCNC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000048172772 507470792 /nfs/dbraw/zinc/47/07/92/507470792.db2.gz ZJECHSQVUIKYCA-LJQANCHMSA-N 2 2 365.481 2.947 10 0 FFAELP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)[C@H](C)[N@@H+]1CCc3ccccc3C1)C2 ZINC000112725587 508216134 /nfs/dbraw/zinc/21/61/34/508216134.db2.gz HXTWPGNZZOROGD-INIZCTEOSA-N 2 2 366.509 2.875 10 0 FFAELP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)[C@H](C)[N@H+]1CCc3ccccc3C1)C2 ZINC000112725587 508216137 /nfs/dbraw/zinc/21/61/37/508216137.db2.gz HXTWPGNZZOROGD-INIZCTEOSA-N 2 2 366.509 2.875 10 0 FFAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+]([C@@H](C)c3cc(F)ccc3F)CC2)C1 ZINC000106120386 508395921 /nfs/dbraw/zinc/39/59/21/508395921.db2.gz VNPUJCBQHJXMSY-FUHWJXTLSA-N 2 2 367.484 2.753 10 0 FFAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+]([C@@H](C)c3cc(F)ccc3F)CC2)C1 ZINC000106120386 508395922 /nfs/dbraw/zinc/39/59/22/508395922.db2.gz VNPUJCBQHJXMSY-FUHWJXTLSA-N 2 2 367.484 2.753 10 0 FFAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000157737329 508604476 /nfs/dbraw/zinc/60/44/76/508604476.db2.gz JQUGAZWKYLAGQX-YJBOKZPZSA-N 2 2 357.502 2.763 10 0 FFAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000157737329 508604478 /nfs/dbraw/zinc/60/44/78/508604478.db2.gz JQUGAZWKYLAGQX-YJBOKZPZSA-N 2 2 357.502 2.763 10 0 FFAELP CC(C)[N@H+]1C[C@H](NC(=O)NCc2ccc(N3CCC(C)CC3)[nH+]c2)[C@@H](C)C1 ZINC000157839414 508620529 /nfs/dbraw/zinc/62/05/29/508620529.db2.gz WFTLDMBQSZHWAV-HKUYNNGSSA-N 2 2 373.545 2.846 10 0 FFAELP CC(C)[N@@H+]1C[C@H](NC(=O)NCc2ccc(N3CCC(C)CC3)[nH+]c2)[C@@H](C)C1 ZINC000157839414 508620531 /nfs/dbraw/zinc/62/05/31/508620531.db2.gz WFTLDMBQSZHWAV-HKUYNNGSSA-N 2 2 373.545 2.846 10 0 FFAELP Cc1ccc([C@@H]2C[N@H+](C[C@H](O)Cn3c[nH+]c4cc(C)c(C)cc43)CCO2)o1 ZINC000159092144 508791586 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MFOPXYJNIFLUPB-RLLQIKCJSA-N 2 2 351.498 2.556 10 0 FFAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000151985713 509124548 /nfs/dbraw/zinc/12/45/48/509124548.db2.gz MFOPXYJNIFLUPB-RLLQIKCJSA-N 2 2 351.498 2.556 10 0 FFAELP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000248386615 509283729 /nfs/dbraw/zinc/28/37/29/509283729.db2.gz NELQGKMPZJIQFN-RLFYNMQTSA-N 2 2 361.486 2.509 10 0 FFAELP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c1 ZINC000248386615 509283735 /nfs/dbraw/zinc/28/37/35/509283735.db2.gz NELQGKMPZJIQFN-RLFYNMQTSA-N 2 2 361.486 2.509 10 0 FFAELP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCOCC1 ZINC000248391494 509288067 /nfs/dbraw/zinc/28/80/67/509288067.db2.gz CIFBHCIYLICWQP-BHDDXSALSA-N 3 2 371.569 2.988 10 0 FFAELP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCOCC1 ZINC000248391494 509288075 /nfs/dbraw/zinc/28/80/75/509288075.db2.gz 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FFAELP CCC(CC)NC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000248649824 509417926 /nfs/dbraw/zinc/41/79/26/509417926.db2.gz LJGCJMMDAVLKHM-HOTGVXAUSA-N 2 2 366.575 2.899 10 0 FFAELP CCC(CC)NC(=O)[C@H](C)[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000248649824 509417932 /nfs/dbraw/zinc/41/79/32/509417932.db2.gz LJGCJMMDAVLKHM-HOTGVXAUSA-N 2 2 366.575 2.899 10 0 FFAELP CCC(CC)NC(=O)[C@H](C)[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000248649824 509417936 /nfs/dbraw/zinc/41/79/36/509417936.db2.gz LJGCJMMDAVLKHM-HOTGVXAUSA-N 2 2 366.575 2.899 10 0 FFAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)Cc2ccccc2)C1 ZINC000248659434 509424623 /nfs/dbraw/zinc/42/46/23/509424623.db2.gz VBFYICQMSFHQBQ-OALUTQOASA-N 2 2 359.539 2.809 10 0 FFAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)Cc2ccccc2)C1 ZINC000248659434 509424633 /nfs/dbraw/zinc/42/46/33/509424633.db2.gz VBFYICQMSFHQBQ-OALUTQOASA-N 2 2 359.539 2.809 10 0 FFAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)Cc2ccccc2)C1 ZINC000248659434 509424643 /nfs/dbraw/zinc/42/46/43/509424643.db2.gz VBFYICQMSFHQBQ-OALUTQOASA-N 2 2 359.539 2.809 10 0 FFAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)Cc2ccccc2)C1 ZINC000248659434 509424652 /nfs/dbraw/zinc/42/46/52/509424652.db2.gz VBFYICQMSFHQBQ-OALUTQOASA-N 2 2 359.539 2.809 10 0 FFAELP C[C@@H]1CCCN(c2cc(N3CCC(OCCC[NH+](C)C)CC3)[nH+]cn2)C1 ZINC000176814700 509705337 /nfs/dbraw/zinc/70/53/37/509705337.db2.gz YQDVZADQEHXZIM-QGZVFWFLSA-N 2 2 361.534 2.650 10 0 FFAELP C[C@@H]1CCCN(c2cc(N3CCC(OCCC[NH+](C)C)CC3)nc[nH+]2)C1 ZINC000176814700 509705344 /nfs/dbraw/zinc/70/53/44/509705344.db2.gz YQDVZADQEHXZIM-QGZVFWFLSA-N 2 2 361.534 2.650 10 0 FFAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2cccc(NC(C)=O)c2)nc[nH+]1 ZINC000180570219 509990315 /nfs/dbraw/zinc/99/03/15/509990315.db2.gz XKJCQJYOYQWPHB-KBXCAEBGSA-N 2 2 368.485 2.796 10 0 FFAELP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177354771 510010459 /nfs/dbraw/zinc/01/04/59/510010459.db2.gz 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ZINC000246211736 510365710 /nfs/dbraw/zinc/36/57/10/510365710.db2.gz ZMFPKPATVZJFNQ-IAGOWNOFSA-N 2 2 363.469 2.861 10 0 FFAELP Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c(C)c1 ZINC000246213775 510367207 /nfs/dbraw/zinc/36/72/07/510367207.db2.gz ZMNWLFARUHRFJI-RBUKOAKNSA-N 2 2 355.482 2.872 10 0 FFAELP Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c(C)c1 ZINC000246213775 510367214 /nfs/dbraw/zinc/36/72/14/510367214.db2.gz ZMNWLFARUHRFJI-RBUKOAKNSA-N 2 2 355.482 2.872 10 0 FFAELP C[NH+]1CCN([C@@H]2CCCC[N@H+](Cc3ccccc3OC(F)F)C2)CC1 ZINC000174886687 510367395 /nfs/dbraw/zinc/36/73/95/510367395.db2.gz JOZJIFPZGWKDBN-QGZVFWFLSA-N 2 2 353.457 2.890 10 0 FFAELP C[NH+]1CCN([C@@H]2CCCC[N@@H+](Cc3ccccc3OC(F)F)C2)CC1 ZINC000174886687 510367401 /nfs/dbraw/zinc/36/74/01/510367401.db2.gz JOZJIFPZGWKDBN-QGZVFWFLSA-N 2 2 353.457 2.890 10 0 FFAELP CC(C)N(C(=O)C[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000174891276 510370046 /nfs/dbraw/zinc/37/00/46/510370046.db2.gz YIYASXSXIMXNPA-NRFANRHFSA-N 2 2 372.557 2.530 10 0 FFAELP CC(C)N(C(=O)C[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000174891276 510370057 /nfs/dbraw/zinc/37/00/57/510370057.db2.gz YIYASXSXIMXNPA-NRFANRHFSA-N 2 2 372.557 2.530 10 0 FFAELP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)[C@@H](C)C1 ZINC000246513285 510531504 /nfs/dbraw/zinc/53/15/04/510531504.db2.gz UEIHRHCWVBVCED-MAUKXSAKSA-N 2 2 373.476 2.883 10 0 FFAELP CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)[C@@H](C)C1 ZINC000246513285 510531507 /nfs/dbraw/zinc/53/15/07/510531507.db2.gz UEIHRHCWVBVCED-MAUKXSAKSA-N 2 2 373.476 2.883 10 0 FFAELP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000263154627 510588684 /nfs/dbraw/zinc/58/86/84/510588684.db2.gz DHWGLASIDSUWLB-CZUORRHYSA-N 2 2 365.275 2.621 10 0 FFAELP Cc1ccc2[nH+]c(CSCC(=O)N3CC[N@@H+]4CCCC[C@@H]4C3)cn2c1 ZINC000195247655 510736680 /nfs/dbraw/zinc/73/66/80/510736680.db2.gz UYDZDZWTRLQWTO-QGZVFWFLSA-N 2 2 358.511 2.573 10 0 FFAELP Cc1ccc2[nH+]c(CSCC(=O)N3CC[N@H+]4CCCC[C@@H]4C3)cn2c1 ZINC000195247655 510736686 /nfs/dbraw/zinc/73/66/86/510736686.db2.gz UYDZDZWTRLQWTO-QGZVFWFLSA-N 2 2 358.511 2.573 10 0 FFAELP Cc1cccc(OC[C@H](O)C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)c1 ZINC000195286184 510761864 /nfs/dbraw/zinc/76/18/64/510761864.db2.gz CSVHOTHZWUUFRG-NHCUHLMSSA-N 2 2 369.509 2.584 10 0 FFAELP Cc1cccc(OC[C@H](O)C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)c1 ZINC000195286184 510761871 /nfs/dbraw/zinc/76/18/71/510761871.db2.gz CSVHOTHZWUUFRG-NHCUHLMSSA-N 2 2 369.509 2.584 10 0 FFAELP Cc1cccc(OC[C@H](O)C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000195286184 510761877 /nfs/dbraw/zinc/76/18/77/510761877.db2.gz CSVHOTHZWUUFRG-NHCUHLMSSA-N 2 2 369.509 2.584 10 0 FFAELP Cc1cccc(OC[C@H](O)C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000195286184 510761884 /nfs/dbraw/zinc/76/18/84/510761884.db2.gz CSVHOTHZWUUFRG-NHCUHLMSSA-N 2 2 369.509 2.584 10 0 FFAELP CN(C(=O)C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1)C1CCCCC1 ZINC000195301642 510771355 /nfs/dbraw/zinc/77/13/55/510771355.db2.gz HJNUBCHQVPGTAI-LJQANCHMSA-N 2 2 358.530 2.626 10 0 FFAELP CN(C(=O)C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1)C1CCCCC1 ZINC000195301642 510771362 /nfs/dbraw/zinc/77/13/62/510771362.db2.gz HJNUBCHQVPGTAI-LJQANCHMSA-N 2 2 358.530 2.626 10 0 FFAELP CN(C(=O)C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1)C1CCCCC1 ZINC000195301642 510771373 /nfs/dbraw/zinc/77/13/73/510771373.db2.gz HJNUBCHQVPGTAI-LJQANCHMSA-N 2 2 358.530 2.626 10 0 FFAELP CN(C(=O)C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1)C1CCCCC1 ZINC000195301642 510771381 /nfs/dbraw/zinc/77/13/81/510771381.db2.gz HJNUBCHQVPGTAI-LJQANCHMSA-N 2 2 358.530 2.626 10 0 FFAELP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000247021218 510804618 /nfs/dbraw/zinc/80/46/18/510804618.db2.gz SPLVQRGFTSPDTQ-ROUUACIJSA-N 2 2 372.538 2.961 10 0 FFAELP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000247021218 510804622 /nfs/dbraw/zinc/80/46/22/510804622.db2.gz SPLVQRGFTSPDTQ-ROUUACIJSA-N 2 2 372.538 2.961 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)NCc2cccc(OC)c2)C1 ZINC000247777491 510870181 /nfs/dbraw/zinc/87/01/81/510870181.db2.gz RBAMZKQIBGMMOI-AEFFLSMTSA-N 2 2 370.497 2.796 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)NCc2cccc(OC)c2)C1 ZINC000247777491 510870182 /nfs/dbraw/zinc/87/01/82/510870182.db2.gz RBAMZKQIBGMMOI-AEFFLSMTSA-N 2 2 370.497 2.796 10 0 FFAELP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1cc(Br)ccc1O ZINC000185114595 729341543 /nfs/dbraw/zinc/34/15/43/729341543.db2.gz OLRIQTQTQUXKMV-OCCSQVGLSA-N 2 2 357.292 2.652 10 0 FFAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](CCc3ccccc3Cl)CC2)C1 ZINC000106120720 250241719 /nfs/dbraw/zinc/24/17/19/250241719.db2.gz WSENUSSTYXOPCJ-LJQANCHMSA-N 2 2 365.949 2.609 10 0 FFAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](CCc3ccccc3Cl)CC2)C1 ZINC000106120720 250241720 /nfs/dbraw/zinc/24/17/20/250241720.db2.gz WSENUSSTYXOPCJ-LJQANCHMSA-N 2 2 365.949 2.609 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)NCc2ccccc2COC)C1 ZINC000106212750 250255605 /nfs/dbraw/zinc/25/56/05/250255605.db2.gz LWIRDGNXWHUFAJ-LJQANCHMSA-N 2 2 370.497 2.545 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)NCc2ccccc2COC)C1 ZINC000106212750 250255607 /nfs/dbraw/zinc/25/56/07/250255607.db2.gz LWIRDGNXWHUFAJ-LJQANCHMSA-N 2 2 370.497 2.545 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cc(=O)n3c(C)csc3n2)C1 ZINC000106217183 250258691 /nfs/dbraw/zinc/25/86/91/250258691.db2.gz DTZGYRHWFVSQRL-HNNXBMFYSA-N 2 2 357.483 2.660 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cc(=O)n3c(C)csc3n2)C1 ZINC000106217183 250258696 /nfs/dbraw/zinc/25/86/96/250258696.db2.gz DTZGYRHWFVSQRL-HNNXBMFYSA-N 2 2 357.483 2.660 10 0 FFAELP COc1ccc(NC(=O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1Cl ZINC000252652699 251311387 /nfs/dbraw/zinc/31/13/87/251311387.db2.gz FDKKBAMEJQUTOE-CZUORRHYSA-N 2 2 351.878 2.703 10 0 FFAELP COc1ccc(NC(=O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1Cl ZINC000252652699 251311392 /nfs/dbraw/zinc/31/13/92/251311392.db2.gz FDKKBAMEJQUTOE-CZUORRHYSA-N 2 2 351.878 2.703 10 0 FFAELP COc1ccc(NC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1Cl ZINC000252652699 251311393 /nfs/dbraw/zinc/31/13/93/251311393.db2.gz FDKKBAMEJQUTOE-CZUORRHYSA-N 2 2 351.878 2.703 10 0 FFAELP COc1ccc(NC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1Cl ZINC000252652699 251311397 /nfs/dbraw/zinc/31/13/97/251311397.db2.gz FDKKBAMEJQUTOE-CZUORRHYSA-N 2 2 351.878 2.703 10 0 FFAELP C[C@H](NC(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21)c1cccc(-n2cc[nH+]c2)c1 ZINC000332833513 258242458 /nfs/dbraw/zinc/24/24/58/258242458.db2.gz GUUFLUZOYLDIGN-FRQCXROJSA-N 2 2 353.470 2.669 10 0 FFAELP C[C@H](NC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21)c1cccc(-n2cc[nH+]c2)c1 ZINC000332833513 258242459 /nfs/dbraw/zinc/24/24/59/258242459.db2.gz GUUFLUZOYLDIGN-FRQCXROJSA-N 2 2 353.470 2.669 10 0 FFAELP C[C@@H](c1cccc(NC(=O)N2CCC3(CC[NH2+]C3)CC2)c1)[NH+]1CCOCC1 ZINC000333083042 258248738 /nfs/dbraw/zinc/24/87/38/258248738.db2.gz BBLIARVDSLXHNO-KRWDZBQOSA-N 2 2 372.513 2.687 10 0 FFAELP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@H]3CCCC[NH2+]C3)n2)C1 ZINC000333088941 258249035 /nfs/dbraw/zinc/24/90/35/258249035.db2.gz CCBGWGKESGUQNM-KGLIPLIRSA-N 2 2 351.520 2.639 10 0 FFAELP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@H]3CCCC[NH2+]C3)n2)C1 ZINC000333088941 258249036 /nfs/dbraw/zinc/24/90/36/258249036.db2.gz CCBGWGKESGUQNM-KGLIPLIRSA-N 2 2 351.520 2.639 10 0 FFAELP CC(C)S(=O)(=O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000377573225 512334978 /nfs/dbraw/zinc/33/49/78/512334978.db2.gz YAOIVJMWDVYWMK-YQQQUEKLSA-N 2 2 350.528 2.595 10 0 FFAELP CC(C)S(=O)(=O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000377573225 512334982 /nfs/dbraw/zinc/33/49/82/512334982.db2.gz YAOIVJMWDVYWMK-YQQQUEKLSA-N 2 2 350.528 2.595 10 0 FFAELP O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107830012 507869355 /nfs/dbraw/zinc/86/93/55/507869355.db2.gz AMOTWMAUIUCMPH-LJQANCHMSA-N 2 2 371.529 2.842 10 0 FFAELP CCc1ccc([C@@H](CNc2cc(N3CCC[C@@H]3CO)[nH+]cn2)[NH+](C)C)cc1 ZINC000110114002 508008265 /nfs/dbraw/zinc/00/82/65/508008265.db2.gz TWDYGHUXIQVQGN-RTBURBONSA-N 2 2 369.513 2.715 10 0 FFAELP C[C@H](NC(=O)N1CC[C@H]([NH+]2CCCC2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000074876261 508067033 /nfs/dbraw/zinc/06/70/33/508067033.db2.gz HUINBTHOHWALDV-LPHOPBHVSA-N 2 2 353.470 2.813 10 0 FFAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(-n2cccc2)c(F)c1 ZINC000105321542 508369639 /nfs/dbraw/zinc/36/96/39/508369639.db2.gz AXQWKBQETNTPHW-UHFFFAOYSA-N 2 2 372.488 2.714 10 0 FFAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(-n2cccc2)c(F)c1 ZINC000105321542 508369641 /nfs/dbraw/zinc/36/96/41/508369641.db2.gz AXQWKBQETNTPHW-UHFFFAOYSA-N 2 2 372.488 2.714 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCOc2cccc(C(=O)OC)c2)C1 ZINC000106211959 508398006 /nfs/dbraw/zinc/39/80/06/508398006.db2.gz VQCSCZYRVPCYGT-KRWDZBQOSA-N 2 2 357.454 2.948 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCOc2cccc(C(=O)OC)c2)C1 ZINC000106211959 508398007 /nfs/dbraw/zinc/39/80/07/508398007.db2.gz VQCSCZYRVPCYGT-KRWDZBQOSA-N 2 2 357.454 2.948 10 0 FFAELP COc1cccc(CCC[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1 ZINC000119187878 508743834 /nfs/dbraw/zinc/74/38/34/508743834.db2.gz RXBCEMHTZBDHPL-UHFFFAOYSA-N 2 2 356.514 2.921 10 0 FFAELP COc1cccc(CCC[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1 ZINC000119187878 508743836 /nfs/dbraw/zinc/74/38/36/508743836.db2.gz RXBCEMHTZBDHPL-UHFFFAOYSA-N 2 2 356.514 2.921 10 0 FFAELP O=C(Nc1ccccc1OCCn1cc[nH+]c1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000159200703 508807228 /nfs/dbraw/zinc/80/72/28/508807228.db2.gz PRWZSOFMMCTHCV-KRWDZBQOSA-N 2 2 369.469 2.664 10 0 FFAELP O=C(Nc1ccccc1OCCn1cc[nH+]c1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000159200703 508807231 /nfs/dbraw/zinc/80/72/31/508807231.db2.gz PRWZSOFMMCTHCV-KRWDZBQOSA-N 2 2 369.469 2.664 10 0 FFAELP Cc1ncc(C[NH+]2CCN(CC[N@@H+](C)Cc3ccc(F)cc3)CC2)s1 ZINC000159324563 508824964 /nfs/dbraw/zinc/82/49/64/508824964.db2.gz QYMNOCYIIUGGMP-UHFFFAOYSA-N 2 2 362.518 2.840 10 0 FFAELP Cc1ncc(C[NH+]2CCN(CC[N@H+](C)Cc3ccc(F)cc3)CC2)s1 ZINC000159324563 508824968 /nfs/dbraw/zinc/82/49/68/508824968.db2.gz QYMNOCYIIUGGMP-UHFFFAOYSA-N 2 2 362.518 2.840 10 0 FFAELP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)c3cccc(Br)c3)CC[C@@H]21 ZINC000247982698 509210747 /nfs/dbraw/zinc/21/07/47/509210747.db2.gz NEUQSLZAYCGBGE-HYVNUMGLSA-N 2 2 353.304 2.899 10 0 FFAELP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)c3cccc(Br)c3)CC[C@@H]21 ZINC000247982698 509210752 /nfs/dbraw/zinc/21/07/52/509210752.db2.gz NEUQSLZAYCGBGE-HYVNUMGLSA-N 2 2 353.304 2.899 10 0 FFAELP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](O)c3cccc(Br)c3)CC[C@@H]21 ZINC000247982698 509210756 /nfs/dbraw/zinc/21/07/56/509210756.db2.gz NEUQSLZAYCGBGE-HYVNUMGLSA-N 2 2 353.304 2.899 10 0 FFAELP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H](O)c3cccc(Br)c3)CC[C@@H]21 ZINC000247982698 509210759 /nfs/dbraw/zinc/21/07/59/509210759.db2.gz NEUQSLZAYCGBGE-HYVNUMGLSA-N 2 2 353.304 2.899 10 0 FFAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000192003348 509289460 /nfs/dbraw/zinc/28/94/60/509289460.db2.gz CXRVDPALEMPHPN-GOSISDBHSA-N 3 2 356.514 2.705 10 0 FFAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000192003348 509289463 /nfs/dbraw/zinc/28/94/63/509289463.db2.gz CXRVDPALEMPHPN-GOSISDBHSA-N 3 2 356.514 2.705 10 0 FFAELP Cc1ccc([C@H]2CCCCN2C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)o1 ZINC000179306183 509364954 /nfs/dbraw/zinc/36/49/54/509364954.db2.gz IWWDSZKVXUGKBV-GOSISDBHSA-N 2 2 362.518 2.851 10 0 FFAELP NC(=O)[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)c1ccc(F)cc1 ZINC000248696785 509441139 /nfs/dbraw/zinc/44/11/39/509441139.db2.gz DGGYXMPVENEUGS-CWJKEVGVSA-N 2 2 367.468 2.852 10 0 FFAELP NC(=O)[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)c1ccc(F)cc1 ZINC000248696785 509441144 /nfs/dbraw/zinc/44/11/44/509441144.db2.gz DGGYXMPVENEUGS-CWJKEVGVSA-N 2 2 367.468 2.852 10 0 FFAELP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C12CCOCC2 ZINC000186308084 509636399 /nfs/dbraw/zinc/63/63/99/509636399.db2.gz KSMZZBFBXGFFMO-HZPDHXFCSA-N 2 2 364.452 2.967 10 0 FFAELP CCN(C(=O)[C@@H]1CCCn2cc[nH+]c21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186313833 509641910 /nfs/dbraw/zinc/64/19/10/509641910.db2.gz PEGGQHQMDRSHOJ-RBUKOAKNSA-N 2 2 352.482 2.884 10 0 FFAELP CCN(C(=O)[C@@H]1CCCn2cc[nH+]c21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186313833 509641916 /nfs/dbraw/zinc/64/19/16/509641916.db2.gz PEGGQHQMDRSHOJ-RBUKOAKNSA-N 2 2 352.482 2.884 10 0 FFAELP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000183616916 509889572 /nfs/dbraw/zinc/88/95/72/509889572.db2.gz NELQGKMPZJIQFN-VKJFTORMSA-N 2 2 361.486 2.509 10 0 FFAELP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2C[N@H+](C(C)C)C[C@H]2C)c1 ZINC000183616916 509889580 /nfs/dbraw/zinc/88/95/80/509889580.db2.gz NELQGKMPZJIQFN-VKJFTORMSA-N 2 2 361.486 2.509 10 0 FFAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)Cc2ccccc2OC)nc[nH+]1 ZINC000180573723 509992299 /nfs/dbraw/zinc/99/22/99/509992299.db2.gz QIAISPBBQNSFJK-WBVHZDCISA-N 2 2 355.486 2.717 10 0 FFAELP C[C@@H](NC(=O)[C@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1ccc2c(c1)CCCC2 ZINC000193626031 509996392 /nfs/dbraw/zinc/99/63/92/509996392.db2.gz LNCJKEIXJVBOQV-XTCWOQMQSA-N 2 2 355.526 2.625 10 0 FFAELP C[C@@H](NC(=O)[C@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1ccc2c(c1)CCCC2 ZINC000193626031 509996398 /nfs/dbraw/zinc/99/63/98/509996398.db2.gz LNCJKEIXJVBOQV-XTCWOQMQSA-N 2 2 355.526 2.625 10 0 FFAELP C[C@@H](NC(=O)[C@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1)c1ccc2c(c1)CCCC2 ZINC000193626031 509996403 /nfs/dbraw/zinc/99/64/03/509996403.db2.gz LNCJKEIXJVBOQV-XTCWOQMQSA-N 2 2 355.526 2.625 10 0 FFAELP C[C@@H](NC(=O)[C@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1)c1ccc2c(c1)CCCC2 ZINC000193626031 509996409 /nfs/dbraw/zinc/99/64/09/509996409.db2.gz LNCJKEIXJVBOQV-XTCWOQMQSA-N 2 2 355.526 2.625 10 0 FFAELP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1CCC2(CC1)OCCO2 ZINC000190345927 510077920 /nfs/dbraw/zinc/07/79/20/510077920.db2.gz VWEALORBHWHBKC-PXNSSMCTSA-N 2 2 359.514 2.815 10 0 FFAELP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1CCC2(CC1)OCCO2 ZINC000190345927 510077922 /nfs/dbraw/zinc/07/79/22/510077922.db2.gz VWEALORBHWHBKC-PXNSSMCTSA-N 2 2 359.514 2.815 10 0 FFAELP CCc1nn(C)c(Cl)c1C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190482003 510156399 /nfs/dbraw/zinc/15/63/99/510156399.db2.gz DJMDMRXCWLRZEL-INIZCTEOSA-N 2 2 361.921 2.985 10 0 FFAELP CCc1nn(C)c(Cl)c1C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190482003 510156404 /nfs/dbraw/zinc/15/64/04/510156404.db2.gz DJMDMRXCWLRZEL-INIZCTEOSA-N 2 2 361.921 2.985 10 0 FFAELP CCc1nn(C)c(Cl)c1C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190482003 510156409 /nfs/dbraw/zinc/15/64/09/510156409.db2.gz DJMDMRXCWLRZEL-INIZCTEOSA-N 2 2 361.921 2.985 10 0 FFAELP O=C(C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)Nc1ccnn1C1CCCC1 ZINC000171644770 510272626 /nfs/dbraw/zinc/27/26/26/510272626.db2.gz GSBYWJUZTVPWCY-INIZCTEOSA-N 2 2 368.485 2.766 10 0 FFAELP O=C(C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)Nc1ccnn1C1CCCC1 ZINC000171644770 510272631 /nfs/dbraw/zinc/27/26/31/510272631.db2.gz GSBYWJUZTVPWCY-INIZCTEOSA-N 2 2 368.485 2.766 10 0 FFAELP COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)cc1 ZINC000171653322 510283577 /nfs/dbraw/zinc/28/35/77/510283577.db2.gz DGHOCVYFFSTRHG-INIZCTEOSA-N 2 2 354.454 2.771 10 0 FFAELP COc1ccc(NC(=O)C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)cc1 ZINC000171653322 510283591 /nfs/dbraw/zinc/28/35/91/510283591.db2.gz DGHOCVYFFSTRHG-INIZCTEOSA-N 2 2 354.454 2.771 10 0 FFAELP CC(=O)c1cccc(NC(=O)C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)c1 ZINC000171653554 510284146 /nfs/dbraw/zinc/28/41/46/510284146.db2.gz WNUQLMYTGUMKFQ-KRWDZBQOSA-N 2 2 366.465 2.965 10 0 FFAELP CC(=O)c1cccc(NC(=O)C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)c1 ZINC000171653554 510284150 /nfs/dbraw/zinc/28/41/50/510284150.db2.gz WNUQLMYTGUMKFQ-KRWDZBQOSA-N 2 2 366.465 2.965 10 0 FFAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](C)[C@H](C)C(=O)OC(C)(C)C)c2cc1C ZINC000246116011 510302246 /nfs/dbraw/zinc/30/22/46/510302246.db2.gz CMDPJFLIZMCOCM-HZPDHXFCSA-N 2 2 361.486 2.676 10 0 FFAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](C)[C@H](C)C(=O)OC(C)(C)C)c2cc1C ZINC000246116011 510302249 /nfs/dbraw/zinc/30/22/49/510302249.db2.gz CMDPJFLIZMCOCM-HZPDHXFCSA-N 2 2 361.486 2.676 10 0 FFAELP Cc1ccccc1NC(=O)CC[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000174783173 510310376 /nfs/dbraw/zinc/31/03/76/510310376.db2.gz XMUGWLSQYAJEPQ-UHFFFAOYSA-N 2 2 369.513 2.617 10 0 FFAELP Cc1ccccc1NC(=O)CC[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000174783173 510310384 /nfs/dbraw/zinc/31/03/84/510310384.db2.gz XMUGWLSQYAJEPQ-UHFFFAOYSA-N 2 2 369.513 2.617 10 0 FFAELP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000184414474 510313672 /nfs/dbraw/zinc/31/36/72/510313672.db2.gz KFEADHKIWIKPMK-GHTZIAJQSA-N 2 2 373.541 2.829 10 0 FFAELP CCCC[N@H+]1CCOC[C@@H]1C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000184414474 510313680 /nfs/dbraw/zinc/31/36/80/510313680.db2.gz KFEADHKIWIKPMK-GHTZIAJQSA-N 2 2 373.541 2.829 10 0 FFAELP C[C@H](NC(=O)NC1CC[NH+](C2CC2)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000174790042 510313992 /nfs/dbraw/zinc/31/39/92/510313992.db2.gz AIRFUWPTMKVXQX-HNNXBMFYSA-N 2 2 353.470 2.859 10 0 FFAELP O=C(C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000246166103 510332149 /nfs/dbraw/zinc/33/21/49/510332149.db2.gz RNYGNDMBQXFFOV-CEXWTWQISA-N 2 2 356.514 2.997 10 0 FFAELP O=C(C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000246166103 510332154 /nfs/dbraw/zinc/33/21/54/510332154.db2.gz RNYGNDMBQXFFOV-CEXWTWQISA-N 2 2 356.514 2.997 10 0 FFAELP CCc1cccc(C)c1NC(=O)C[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174887893 510366965 /nfs/dbraw/zinc/36/69/65/510366965.db2.gz HIVTZXMTCZOLGC-FQEVSTJZSA-N 2 2 372.557 2.598 10 0 FFAELP CCc1cccc(C)c1NC(=O)C[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174887893 510366968 /nfs/dbraw/zinc/36/69/68/510366968.db2.gz HIVTZXMTCZOLGC-FQEVSTJZSA-N 2 2 372.557 2.598 10 0 FFAELP CC(C)c1ccc(NC(=O)C[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)cc1 ZINC000174891482 510370024 /nfs/dbraw/zinc/37/00/24/510370024.db2.gz SVYYUNXTGAALDK-NRFANRHFSA-N 2 2 372.557 2.850 10 0 FFAELP CC(C)c1ccc(NC(=O)C[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)cc1 ZINC000174891482 510370030 /nfs/dbraw/zinc/37/00/30/510370030.db2.gz SVYYUNXTGAALDK-NRFANRHFSA-N 2 2 372.557 2.850 10 0 FFAELP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000172029736 510507181 /nfs/dbraw/zinc/50/71/81/510507181.db2.gz WGDUWMBNXUYTOZ-IAGOWNOFSA-N 2 2 354.454 2.549 10 0 FFAELP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCC[C@@H]1c1ccco1 ZINC000172029736 510507187 /nfs/dbraw/zinc/50/71/87/510507187.db2.gz WGDUWMBNXUYTOZ-IAGOWNOFSA-N 2 2 354.454 2.549 10 0 FFAELP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2cn3cc(Cl)ccc3n2)nc[nH+]1 ZINC000172119858 510553444 /nfs/dbraw/zinc/55/34/44/510553444.db2.gz WPBFLDOSNKESMC-HNNXBMFYSA-N 2 2 371.876 2.578 10 0 FFAELP O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000246623025 510589767 /nfs/dbraw/zinc/58/97/67/510589767.db2.gz MGMTWTNSEPXCRC-PMACEKPBSA-N 2 2 367.497 2.722 10 0 FFAELP O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000246623025 510589774 /nfs/dbraw/zinc/58/97/74/510589774.db2.gz MGMTWTNSEPXCRC-PMACEKPBSA-N 2 2 367.497 2.722 10 0 FFAELP CC(C)N(C)c1ccc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)cn1 ZINC000191338468 510611118 /nfs/dbraw/zinc/61/11/18/510611118.db2.gz JMELDDLWAQPPQK-UHFFFAOYSA-N 2 2 370.545 2.719 10 0 FFAELP CC(C)N(C)c1ccc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)cn1 ZINC000191338468 510611125 /nfs/dbraw/zinc/61/11/25/510611125.db2.gz JMELDDLWAQPPQK-UHFFFAOYSA-N 2 2 370.545 2.719 10 0 FFAELP C[C@@H](C(=O)NCCc1cccs1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246794640 510678514 /nfs/dbraw/zinc/67/85/14/510678514.db2.gz RYFOKSJQUPWEJK-HOTGVXAUSA-N 2 2 358.511 2.624 10 0 FFAELP C[C@@H](C(=O)NCCc1cccs1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246794640 510678517 /nfs/dbraw/zinc/67/85/17/510678517.db2.gz RYFOKSJQUPWEJK-HOTGVXAUSA-N 2 2 358.511 2.624 10 0 FFAELP C[C@H](C(=O)NC1CCC(C)CC1)[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195280671 510757062 /nfs/dbraw/zinc/75/70/62/510757062.db2.gz LZCYYBXPRHEMJN-WNKNEZEQSA-N 2 2 372.557 2.919 10 0 FFAELP C[C@H](C(=O)NC1CCC(C)CC1)[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195280671 510757070 /nfs/dbraw/zinc/75/70/70/510757070.db2.gz LZCYYBXPRHEMJN-WNKNEZEQSA-N 2 2 372.557 2.919 10 0 FFAELP C[C@H](C(=O)NC1CCC(C)CC1)[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195280671 510757077 /nfs/dbraw/zinc/75/70/77/510757077.db2.gz LZCYYBXPRHEMJN-WNKNEZEQSA-N 2 2 372.557 2.919 10 0 FFAELP C[C@H](C(=O)NC1CCC(C)CC1)[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195280671 510757083 /nfs/dbraw/zinc/75/70/83/510757083.db2.gz LZCYYBXPRHEMJN-WNKNEZEQSA-N 2 2 372.557 2.919 10 0 FFAELP COc1cccc(CN(C)C(=O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246945715 510761434 /nfs/dbraw/zinc/76/14/34/510761434.db2.gz UKBIGEMOLMVDAH-RXVVDRJESA-N 2 2 371.525 2.602 10 0 FFAELP COc1cccc(CN(C)C(=O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246945715 510761441 /nfs/dbraw/zinc/76/14/41/510761441.db2.gz UKBIGEMOLMVDAH-RXVVDRJESA-N 2 2 371.525 2.602 10 0 FFAELP COc1cccc(CN(C)C(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246945715 510761454 /nfs/dbraw/zinc/76/14/54/510761454.db2.gz UKBIGEMOLMVDAH-RXVVDRJESA-N 2 2 371.525 2.602 10 0 FFAELP Cc1cc(N2CCC[C@H]([NH2+]C3CC[NH+](C4CCCCC4)CC3)C2=O)n(C)n1 ZINC000182334909 510851794 /nfs/dbraw/zinc/85/17/94/510851794.db2.gz GNEMVYXWCBASFA-IBGZPJMESA-N 2 2 373.545 2.611 10 0 FFAELP C[C@@H](C(=O)Nc1cc(F)ccc1F)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000106165008 250246880 /nfs/dbraw/zinc/24/68/80/250246880.db2.gz NCFVTPUKGCEACC-ZDUSSCGKSA-N 2 2 362.424 2.980 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)Nc2cc(OC)ccc2OC)C1 ZINC000106216815 250254920 /nfs/dbraw/zinc/25/49/20/250254920.db2.gz DOUWRSSKSFKJPA-OAHLLOKOSA-N 2 2 372.469 2.738 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(OC)ccc2OC)C1 ZINC000106216815 250254925 /nfs/dbraw/zinc/25/49/25/250254925.db2.gz DOUWRSSKSFKJPA-OAHLLOKOSA-N 2 2 372.469 2.738 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(C(C)=O)cc2)C1 ZINC000106216306 250255088 /nfs/dbraw/zinc/25/50/88/250255088.db2.gz IGXSMQRVPANXGL-GOSISDBHSA-N 2 2 354.454 2.924 10 0 FFAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C(C)=O)cc2)C1 ZINC000106216306 250255095 /nfs/dbraw/zinc/25/50/95/250255095.db2.gz IGXSMQRVPANXGL-GOSISDBHSA-N 2 2 354.454 2.924 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)Nc2cccc(C(=O)OC)c2)C1 ZINC000106216762 250257196 /nfs/dbraw/zinc/25/71/96/250257196.db2.gz JYSKIYCYOXEIPQ-KRWDZBQOSA-N 2 2 370.453 2.508 10 0 FFAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(C(=O)OC)c2)C1 ZINC000106216762 250257198 /nfs/dbraw/zinc/25/71/98/250257198.db2.gz JYSKIYCYOXEIPQ-KRWDZBQOSA-N 2 2 370.453 2.508 10 0 FFAELP Cc1cnn([C@H]2CCC[N@H+](C[C@@H](O)Cn3c[nH+]c4cc(C)c(C)cc43)C2)c1 ZINC000106220387 250259564 /nfs/dbraw/zinc/25/95/64/250259564.db2.gz AGLNPZZSHYMATI-RBUKOAKNSA-N 2 2 367.497 2.856 10 0 FFAELP Cc1cnn([C@H]2CCC[N@@H+](C[C@@H](O)Cn3c[nH+]c4cc(C)c(C)cc43)C2)c1 ZINC000106220387 250259567 /nfs/dbraw/zinc/25/95/67/250259567.db2.gz AGLNPZZSHYMATI-RBUKOAKNSA-N 2 2 367.497 2.856 10 0 FFAELP CCc1c(C(=O)C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)[nH]c(C)c1C(C)=O ZINC000132238841 251057265 /nfs/dbraw/zinc/05/72/65/251057265.db2.gz KVSYNHLOENYUDK-INIZCTEOSA-N 2 2 356.470 2.940 10 0 FFAELP CCc1c(C(=O)C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)[nH]c(C)c1C(C)=O ZINC000132238841 251057267 /nfs/dbraw/zinc/05/72/67/251057267.db2.gz KVSYNHLOENYUDK-INIZCTEOSA-N 2 2 356.470 2.940 10 0 FFAELP Cc1cn2c([nH+]1)[C@@H](CNC(=O)N1CCC[C@@H]([NH+]3CCCC3)CC1)CCC2 ZINC000332689248 258240311 /nfs/dbraw/zinc/24/03/11/258240311.db2.gz QAPYOVPPGAZRQV-QZTJIDSGSA-N 2 2 359.518 2.729 10 0 FFAELP C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc3c(c2)C[NH+](CC(N)=O)CC3)CC[N@@H+]1C ZINC000333037268 258246158 /nfs/dbraw/zinc/24/61/58/258246158.db2.gz NSBHUTYDJXQLMS-KSSFIOAISA-N 2 2 373.501 2.526 10 0 FFAELP C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc3c(c2)C[NH+](CC(N)=O)CC3)CC[N@H+]1C ZINC000333037268 258246159 /nfs/dbraw/zinc/24/61/59/258246159.db2.gz NSBHUTYDJXQLMS-KSSFIOAISA-N 2 2 373.501 2.526 10 0 FFAELP C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)CC[NH+]1C ZINC000333037268 258246160 /nfs/dbraw/zinc/24/61/60/258246160.db2.gz NSBHUTYDJXQLMS-KSSFIOAISA-N 2 2 373.501 2.526 10 0 FFAELP C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)CC[NH+]1C ZINC000333037268 258246161 /nfs/dbraw/zinc/24/61/61/258246161.db2.gz NSBHUTYDJXQLMS-KSSFIOAISA-N 2 2 373.501 2.526 10 0 FFAELP CC1CCN(c2[nH+]cnc(N3CC[NH+](Cc4ccccc4)CC3)c2N)CC1 ZINC000040728554 136120364 /nfs/dbraw/zinc/12/03/64/136120364.db2.gz WKTWISQSVOIKRI-UHFFFAOYSA-N 2 2 366.513 2.617 10 0 FFAELP CC[NH+](CC)[C@@H](CNc1cc(N2CCC[C@@H]2CO)[nH+]cn1)c1ccco1 ZINC000110319341 508020476 /nfs/dbraw/zinc/02/04/76/508020476.db2.gz KCPZCEXMCLKSHW-CVEARBPZSA-N 2 2 359.474 2.526 10 0 FFAELP C[C@@H](NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000074876267 508066804 /nfs/dbraw/zinc/06/68/04/508066804.db2.gz HUINBTHOHWALDV-VQIMIIECSA-N 2 2 353.470 2.813 10 0 FFAELP CCCn1nc(C)c(C[NH2+]C[C@@H]2CCCN2c2cc(NC)[nH+]cn2)c1C ZINC000134001231 508479310 /nfs/dbraw/zinc/47/93/10/508479310.db2.gz SJKZJYXSQRONRQ-INIZCTEOSA-N 2 2 357.506 2.500 10 0 FFAELP O=C(CC[N@@H+]1CCC[C@H]1c1ccco1)N1CCN(c2cccc[nH+]2)CC1 ZINC000116287815 508495029 /nfs/dbraw/zinc/49/50/29/508495029.db2.gz CSFTZGMEKVFBHB-KRWDZBQOSA-N 2 2 354.454 2.550 10 0 FFAELP O=C(CC[N@H+]1CCC[C@H]1c1ccco1)N1CCN(c2cccc[nH+]2)CC1 ZINC000116287815 508495030 /nfs/dbraw/zinc/49/50/30/508495030.db2.gz CSFTZGMEKVFBHB-KRWDZBQOSA-N 2 2 354.454 2.550 10 0 FFAELP Cc1ccc(NCCCNC(=O)N2CCCN(c3cccc[nH+]3)CC2)[nH+]c1 ZINC000129234933 508702126 /nfs/dbraw/zinc/70/21/26/508702126.db2.gz MXFLMIPIOYOZBJ-UHFFFAOYSA-N 2 2 368.485 2.509 10 0 FFAELP CN(C)S(=O)(=O)n1c[nH+]cc1CCCCCCCCCCCC[NH3+] ZINC000137477265 508757077 /nfs/dbraw/zinc/75/70/77/508757077.db2.gz JUZXXABGMOZERU-UHFFFAOYSA-N 2 2 358.552 2.940 10 0 FFAELP COc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)cc1Br ZINC000151245313 508985709 /nfs/dbraw/zinc/98/57/09/508985709.db2.gz BXQZEDWPBFAWSN-HIFRSBDPSA-N 2 2 371.319 2.955 10 0 FFAELP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2noc(C3CCCCC3)n2)CC1 ZINC000178973553 509208163 /nfs/dbraw/zinc/20/81/63/509208163.db2.gz OYZPMNYYHVTUHV-HNNXBMFYSA-N 2 2 350.507 2.642 10 0 FFAELP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2noc(C3CCCCC3)n2)CC1 ZINC000178973553 509208170 /nfs/dbraw/zinc/20/81/70/509208170.db2.gz OYZPMNYYHVTUHV-HNNXBMFYSA-N 2 2 350.507 2.642 10 0 FFAELP O[C@H](C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C[NH+]1CCCCC1 ZINC000248399104 509294754 /nfs/dbraw/zinc/29/47/54/509294754.db2.gz JPLNTVCZHCQTBN-WBADGQHESA-N 3 2 371.569 2.724 10 0 FFAELP O[C@H](C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C[NH+]1CCCCC1 ZINC000248399104 509294762 /nfs/dbraw/zinc/29/47/62/509294762.db2.gz JPLNTVCZHCQTBN-WBADGQHESA-N 3 2 371.569 2.724 10 0 FFAELP C[C@@H](C(=O)N1CCCCCC1)[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248637512 509405292 /nfs/dbraw/zinc/40/52/92/509405292.db2.gz AIGHKIZRBBIXQB-ICSRJNTNSA-N 2 2 358.530 2.626 10 0 FFAELP C[C@@H](C(=O)N1CCCCCC1)[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248637512 509405297 /nfs/dbraw/zinc/40/52/97/509405297.db2.gz AIGHKIZRBBIXQB-ICSRJNTNSA-N 2 2 358.530 2.626 10 0 FFAELP C[C@@H](C(=O)N1CCCCCC1)[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248637512 509405302 /nfs/dbraw/zinc/40/53/02/509405302.db2.gz AIGHKIZRBBIXQB-ICSRJNTNSA-N 2 2 358.530 2.626 10 0 FFAELP C[C@@H](C(=O)N1CCCCCC1)[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248637512 509405309 /nfs/dbraw/zinc/40/53/09/509405309.db2.gz AIGHKIZRBBIXQB-ICSRJNTNSA-N 2 2 358.530 2.626 10 0 FFAELP CCOc1ccc(C(C)=O)cc1C[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000182899269 509483145 /nfs/dbraw/zinc/48/31/45/509483145.db2.gz LIPSOWIJDKWMLF-OAQYLSRUSA-N 2 2 373.541 2.890 10 0 FFAELP C[N@@H+](Cc1cccc2[nH+]ccn21)C[C@@H](c1cccs1)N1CCOCC1 ZINC000180114706 509760004 /nfs/dbraw/zinc/76/00/04/509760004.db2.gz YJZCNHNDTJQDDT-KRWDZBQOSA-N 2 2 356.495 2.901 10 0 FFAELP C[N@H+](Cc1cccc2[nH+]ccn21)C[C@@H](c1cccs1)N1CCOCC1 ZINC000180114706 509760007 /nfs/dbraw/zinc/76/00/07/509760007.db2.gz YJZCNHNDTJQDDT-KRWDZBQOSA-N 2 2 356.495 2.901 10 0 FFAELP COCCn1c(C)cc(C(=O)C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1C ZINC000245556762 510005161 /nfs/dbraw/zinc/00/51/61/510005161.db2.gz ANYIRMIBPFLBFD-KXBFYZLASA-N 2 2 358.486 2.714 10 0 FFAELP COCCn1c(C)cc(C(=O)C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1C ZINC000245556762 510005165 /nfs/dbraw/zinc/00/51/65/510005165.db2.gz ANYIRMIBPFLBFD-KXBFYZLASA-N 2 2 358.486 2.714 10 0 FFAELP O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177398913 510036142 /nfs/dbraw/zinc/03/61/42/510036142.db2.gz AFQLCHDTULIXOT-UXHICEINSA-N 2 2 367.497 2.894 10 0 FFAELP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000177433762 510054857 /nfs/dbraw/zinc/05/48/57/510054857.db2.gz BJQIVXBXPWEDNQ-INIZCTEOSA-N 2 2 359.449 2.637 10 0 FFAELP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000177433762 510054869 /nfs/dbraw/zinc/05/48/69/510054869.db2.gz BJQIVXBXPWEDNQ-INIZCTEOSA-N 2 2 359.449 2.637 10 0 FFAELP Cc1ccc([C@H](CNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)[NH+](C)C)cc1 ZINC000177456256 510070152 /nfs/dbraw/zinc/07/01/52/510070152.db2.gz BQAXGSHXVVGSOI-MOPGFXCFSA-N 2 2 355.486 2.668 10 0 FFAELP CCOCc1ccc(CNC(=O)C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000245708326 510099441 /nfs/dbraw/zinc/09/94/41/510099441.db2.gz SJJXGECXBXGRLJ-PXNSSMCTSA-N 2 2 370.497 2.619 10 0 FFAELP CCOCc1ccc(CNC(=O)C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000245708326 510099451 /nfs/dbraw/zinc/09/94/51/510099451.db2.gz SJJXGECXBXGRLJ-PXNSSMCTSA-N 2 2 370.497 2.619 10 0 FFAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](Cc3ccc([C@H]4C[C@H]4C)o3)CC2)C1 ZINC000245769632 510136841 /nfs/dbraw/zinc/13/68/41/510136841.db2.gz RNZLSGVHJVNGSL-HOJAQTOUSA-N 2 2 361.530 2.630 10 0 FFAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](Cc3ccc([C@H]4C[C@H]4C)o3)CC2)C1 ZINC000245769632 510136844 /nfs/dbraw/zinc/13/68/44/510136844.db2.gz RNZLSGVHJVNGSL-HOJAQTOUSA-N 2 2 361.530 2.630 10 0 FFAELP CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+]([C@@H](C)c3cccc(OC)c3)CC2)C1 ZINC000171430561 510155076 /nfs/dbraw/zinc/15/50/76/510155076.db2.gz SXJFIXSUGVOMFC-HKUYNNGSSA-N 2 2 374.529 2.568 10 0 FFAELP CC[N@H+]1CCC[C@H](NC(=O)N2CC[NH+]([C@@H](C)c3cccc(OC)c3)CC2)C1 ZINC000171430561 510155079 /nfs/dbraw/zinc/15/50/79/510155079.db2.gz SXJFIXSUGVOMFC-HKUYNNGSSA-N 2 2 374.529 2.568 10 0 FFAELP C[NH+](C)[C@H](CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1ccccc1Cl ZINC000171587965 510238452 /nfs/dbraw/zinc/23/84/52/510238452.db2.gz RWUQDVSPZIIHGE-CRAIPNDOSA-N 2 2 364.921 2.822 10 0 FFAELP C[NH+](C)[C@H](CNC(=O)N1CC[N@H+]2CCCC[C@@H]2C1)c1ccccc1Cl ZINC000171587965 510238457 /nfs/dbraw/zinc/23/84/57/510238457.db2.gz RWUQDVSPZIIHGE-CRAIPNDOSA-N 2 2 364.921 2.822 10 0 FFAELP C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171646560 510276091 /nfs/dbraw/zinc/27/60/91/510276091.db2.gz HBAYTPLKPVUGLE-HUUCEWRRSA-N 2 2 368.437 2.571 10 0 FFAELP C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171646560 510276098 /nfs/dbraw/zinc/27/60/98/510276098.db2.gz HBAYTPLKPVUGLE-HUUCEWRRSA-N 2 2 368.437 2.571 10 0 FFAELP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000184481676 510346729 /nfs/dbraw/zinc/34/67/29/510346729.db2.gz PJRODPYSMUTAGL-HMXCVIKNSA-N 2 2 373.541 2.657 10 0 FFAELP CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000184481676 510346735 /nfs/dbraw/zinc/34/67/35/510346735.db2.gz PJRODPYSMUTAGL-HMXCVIKNSA-N 2 2 373.541 2.657 10 0 FFAELP CCCC[NH+]1CCOC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000184481676 510346741 /nfs/dbraw/zinc/34/67/41/510346741.db2.gz PJRODPYSMUTAGL-HMXCVIKNSA-N 2 2 373.541 2.657 10 0 FFAELP CCCC[NH+]1CCOC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000184481676 510346746 /nfs/dbraw/zinc/34/67/46/510346746.db2.gz PJRODPYSMUTAGL-HMXCVIKNSA-N 2 2 373.541 2.657 10 0 FFAELP Cc1cccc2[nH+]c(CNC(=O)N[C@H](C[NH+](C)C)c3ccccc3)cn21 ZINC000171758037 510350628 /nfs/dbraw/zinc/35/06/28/510350628.db2.gz DNFOTNLKMQINGQ-GOSISDBHSA-N 2 2 351.454 2.745 10 0 FFAELP CCOc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000246191972 510351109 /nfs/dbraw/zinc/35/11/09/510351109.db2.gz WMPVPRPOWSZXEG-ZWKOTPCHSA-N 2 2 371.481 2.654 10 0 FFAELP CCOc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000246191972 510351118 /nfs/dbraw/zinc/35/11/18/510351118.db2.gz WMPVPRPOWSZXEG-ZWKOTPCHSA-N 2 2 371.481 2.654 10 0 FFAELP COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000246205644 510361843 /nfs/dbraw/zinc/36/18/43/510361843.db2.gz YHUPERAZCMNOBD-HOTGVXAUSA-N 2 2 354.454 2.851 10 0 FFAELP COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000246205644 510361849 /nfs/dbraw/zinc/36/18/49/510361849.db2.gz YHUPERAZCMNOBD-HOTGVXAUSA-N 2 2 354.454 2.851 10 0 FFAELP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174880570 510362170 /nfs/dbraw/zinc/36/21/70/510362170.db2.gz XJXFRDWBAYOBLX-UXHICEINSA-N 2 2 372.557 2.732 10 0 FFAELP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174880570 510362176 /nfs/dbraw/zinc/36/21/76/510362176.db2.gz XJXFRDWBAYOBLX-UXHICEINSA-N 2 2 372.557 2.732 10 0 FFAELP CC[NH+](CC)[C@@H](CNc1cc(N2CCC[C@H]2CO)[nH+]cn1)c1ccccc1 ZINC000246219539 510373586 /nfs/dbraw/zinc/37/35/86/510373586.db2.gz YMTOONOVFHCXFK-OALUTQOASA-N 2 2 369.513 2.933 10 0 FFAELP C[C@@]1(CNC(=O)[C@@H]2CCCn3cc[nH+]c32)CCC[N@@H+]1Cc1ccccc1 ZINC000187758351 510421067 /nfs/dbraw/zinc/42/10/67/510421067.db2.gz CZQJPRSISTVMNF-NQIIRXRSSA-N 2 2 352.482 2.931 10 0 FFAELP C[C@@]1(CNC(=O)[C@@H]2CCCn3cc[nH+]c32)CCC[N@H+]1Cc1ccccc1 ZINC000187758351 510421074 /nfs/dbraw/zinc/42/10/74/510421074.db2.gz CZQJPRSISTVMNF-NQIIRXRSSA-N 2 2 352.482 2.931 10 0 FFAELP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)[C@@H](C)C1 ZINC000246513293 510530981 /nfs/dbraw/zinc/53/09/81/510530981.db2.gz UEIHRHCWVBVCED-YJBOKZPZSA-N 2 2 373.476 2.883 10 0 FFAELP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)[C@@H](C)C1 ZINC000246513293 510530987 /nfs/dbraw/zinc/53/09/87/510530987.db2.gz UEIHRHCWVBVCED-YJBOKZPZSA-N 2 2 373.476 2.883 10 0 FFAELP COc1ccc(-c2noc(C[N@@H+]3CCC[C@H]3Cn3cc[nH+]c3C)n2)cc1 ZINC000178307577 510538635 /nfs/dbraw/zinc/53/86/35/510538635.db2.gz AQHVHIGMQHJODA-INIZCTEOSA-N 2 2 353.426 2.915 10 0 FFAELP COc1ccc(-c2noc(C[N@H+]3CCC[C@H]3Cn3cc[nH+]c3C)n2)cc1 ZINC000178307577 510538643 /nfs/dbraw/zinc/53/86/43/510538643.db2.gz AQHVHIGMQHJODA-INIZCTEOSA-N 2 2 353.426 2.915 10 0 FFAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)NC2CCCC2)C1 ZINC000195263700 510744419 /nfs/dbraw/zinc/74/44/19/510744419.db2.gz DDLYUJMVUWVJGR-INIZCTEOSA-N 2 2 364.559 2.654 10 0 FFAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)NC2CCCC2)C1 ZINC000195263700 510744423 /nfs/dbraw/zinc/74/44/23/510744423.db2.gz DDLYUJMVUWVJGR-INIZCTEOSA-N 2 2 364.559 2.654 10 0 FFAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)NC2CCCC2)C1 ZINC000195263700 510744429 /nfs/dbraw/zinc/74/44/29/510744429.db2.gz DDLYUJMVUWVJGR-INIZCTEOSA-N 2 2 364.559 2.654 10 0 FFAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)NC2CCCC2)C1 ZINC000195263700 510744434 /nfs/dbraw/zinc/74/44/34/510744434.db2.gz DDLYUJMVUWVJGR-INIZCTEOSA-N 2 2 364.559 2.654 10 0 FFAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NCCC(C)C)C1 ZINC000195264013 510744460 /nfs/dbraw/zinc/74/44/60/510744460.db2.gz ACRJLCRDEWBWNR-IRXDYDNUSA-N 2 2 366.575 2.756 10 0 FFAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)NCCC(C)C)C1 ZINC000195264013 510744466 /nfs/dbraw/zinc/74/44/66/510744466.db2.gz ACRJLCRDEWBWNR-IRXDYDNUSA-N 2 2 366.575 2.756 10 0 FFAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)NCCC(C)C)C1 ZINC000195264013 510744470 /nfs/dbraw/zinc/74/44/70/510744470.db2.gz ACRJLCRDEWBWNR-IRXDYDNUSA-N 2 2 366.575 2.756 10 0 FFAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)NCCC(C)C)C1 ZINC000195264013 510744478 /nfs/dbraw/zinc/74/44/78/510744478.db2.gz ACRJLCRDEWBWNR-IRXDYDNUSA-N 2 2 366.575 2.756 10 0 FFAELP CCC(CC)NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195264061 510744704 /nfs/dbraw/zinc/74/47/04/510744704.db2.gz LJGCJMMDAVLKHM-JKSUJKDBSA-N 2 2 366.575 2.899 10 0 FFAELP CCC(CC)NC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195264061 510744706 /nfs/dbraw/zinc/74/47/06/510744706.db2.gz LJGCJMMDAVLKHM-JKSUJKDBSA-N 2 2 366.575 2.899 10 0 FFAELP CCC(CC)NC(=O)[C@H](C)[NH+]1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195264061 510744711 /nfs/dbraw/zinc/74/47/11/510744711.db2.gz LJGCJMMDAVLKHM-JKSUJKDBSA-N 2 2 366.575 2.899 10 0 FFAELP CCC(CC)NC(=O)[C@H](C)[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195264061 510744714 /nfs/dbraw/zinc/74/47/14/510744714.db2.gz LJGCJMMDAVLKHM-JKSUJKDBSA-N 2 2 366.575 2.899 10 0 FFAELP CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195264090 510745058 /nfs/dbraw/zinc/74/50/58/510745058.db2.gz KPOHVLJMLIYHOP-USXIJHARSA-N 2 2 366.575 2.899 10 0 FFAELP CCC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195264090 510745063 /nfs/dbraw/zinc/74/50/63/510745063.db2.gz KPOHVLJMLIYHOP-USXIJHARSA-N 2 2 366.575 2.899 10 0 FFAELP CCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195264090 510745069 /nfs/dbraw/zinc/74/50/69/510745069.db2.gz KPOHVLJMLIYHOP-USXIJHARSA-N 2 2 366.575 2.899 10 0 FFAELP CCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195264090 510745075 /nfs/dbraw/zinc/74/50/75/510745075.db2.gz KPOHVLJMLIYHOP-USXIJHARSA-N 2 2 366.575 2.899 10 0 FFAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)N(C)c1nc2ccccc2s1 ZINC000178748336 510752509 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