smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]1SCCN(CCC[NH+]2CCCCC2)[C@@H]1C ZINC000161160341 534133692 /nfs/dbraw/zinc/13/36/92/534133692.db2.gz MUSPACNTITXQCK-ZIAGYGMSSA-N 1 0 256.459 2.688 20 70 CFIDRO CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)CCCCCC[NH3+] ZINC000159665763 518982529 /nfs/dbraw/zinc/98/25/29/518982529.db2.gz LUOFDYQWSZKDIL-ZBFHGGJFSA-N 1 0 298.471 2.853 20 70 CFIDRO CC(C)[N@H+](C)CCNc1ccncc1Br ZINC000159841247 519627316 /nfs/dbraw/zinc/62/73/16/519627316.db2.gz KYBVNABPQPIJAL-UHFFFAOYSA-N 1 0 272.190 2.596 20 70 CFIDRO CC(C)CCn1cccc1C[NH+]1CCC(CC(N)=O)CC1 ZINC000159846732 519704017 /nfs/dbraw/zinc/70/40/17/519704017.db2.gz OREAAMLYCFITPT-UHFFFAOYSA-N 1 0 291.439 2.622 20 70 CFIDRO CC(C)[C@@H]1C[N@H+](C)CCN1c1nc(C(C)(C)C)ns1 ZINC000159579462 519804379 /nfs/dbraw/zinc/80/43/79/519804379.db2.gz WSISXZWSYCQCRD-NSHDSACASA-N 1 0 282.457 2.612 20 70 CFIDRO CCOC[C@H]1CCC[N@H+](Cc2cnc3ccccn23)C1 ZINC000160410979 520170897 /nfs/dbraw/zinc/17/08/97/520170897.db2.gz ACWFKFZXCKRKFC-AWEZNQCLSA-N 1 0 273.380 2.583 20 70 CFIDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(OC)ccc2OC)C1(C)C ZINC000217893836 520427747 /nfs/dbraw/zinc/42/77/47/520427747.db2.gz NTRVHCLJYIFGES-JKSUJKDBSA-N 1 0 293.407 2.997 20 70 CFIDRO CCN(Cc1cccc(F)c1)C(=O)[C@H](C(C)C)[NH+](C)C ZINC000159542201 521349366 /nfs/dbraw/zinc/34/93/66/521349366.db2.gz XSRWTTQDPFJULS-HNNXBMFYSA-N 1 0 280.387 2.760 20 70 CFIDRO CCOc1ccccc1[C@H](C)[NH2+][C@H](CCO)CSC ZINC000160366974 521586406 /nfs/dbraw/zinc/58/64/06/521586406.db2.gz FFVQXURSKBJFTF-QWHCGFSZSA-N 1 0 283.437 2.850 20 70 CFIDRO CCN1CCCC[C@H]1C[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000161204504 521603388 /nfs/dbraw/zinc/60/33/88/521603388.db2.gz FRXPJMSPHNVXBO-UONOGXRCSA-N 1 0 268.445 2.797 20 70 CFIDRO COC(=O)c1ccc(C[N@@H+]2CC[C@@H](C(C)(C)C)C2)nc1 ZINC000160583625 522015146 /nfs/dbraw/zinc/01/51/46/522015146.db2.gz VFWSQLHFSXQFTJ-CYBMUJFWSA-N 1 0 276.380 2.736 20 70 CFIDRO CC[C@H](COC)[NH2+][C@@H]1CCCN(C2CCCCC2)C1 ZINC000160106260 522261142 /nfs/dbraw/zinc/26/11/42/522261142.db2.gz KCPBCUICJRFMTK-HUUCEWRRSA-N 1 0 268.445 2.798 20 70 CFIDRO CC[C@@H](C)c1cc(C(=O)N[C@@H](C)C[NH+]2CCCCC2)on1 ZINC000160369454 522421103 /nfs/dbraw/zinc/42/11/03/522421103.db2.gz GHLZMJUQDYYTEH-OLZOCXBDSA-N 1 0 293.411 2.792 20 70 CFIDRO CCc1ncnc(NCCC[N@@H+]2CCCC[C@H]2C)c1F ZINC000217960597 522609111 /nfs/dbraw/zinc/60/91/11/522609111.db2.gz QDIYNQKAYGYAIL-GFCCVEGCSA-N 1 0 280.391 2.855 20 70 CFIDRO CC[C@H]([NH2+][C@@H](CCO)CSC)c1ccc(OC)cc1 ZINC000160250057 522704583 /nfs/dbraw/zinc/70/45/83/522704583.db2.gz DGMBZNAJZZEWIC-ZFWWWQNUSA-N 1 0 283.437 2.850 20 70 CFIDRO COC[C@H]([NH2+]CCOc1ccccc1C)C(C)C ZINC000161356881 522738914 /nfs/dbraw/zinc/73/89/14/522738914.db2.gz NERXKTFBCSDRIH-AWEZNQCLSA-N 1 0 251.370 2.634 20 70 CFIDRO CC[C@@H]([NH2+]CCOc1ccc(F)cc1F)[C@@H]1CCOC1 ZINC000160089610 522837536 /nfs/dbraw/zinc/83/75/36/522837536.db2.gz VSGFYGYEMHXUGV-BXUZGUMPSA-N 1 0 285.334 2.748 20 70 CFIDRO COc1cc([C@@H](C)[NH2+][C@H](CCO)C(C)C)ccc1F ZINC000218261903 522910142 /nfs/dbraw/zinc/91/01/42/522910142.db2.gz XHQHLKNLJMAONQ-BXUZGUMPSA-N 1 0 269.360 2.892 20 70 CFIDRO C[N@H+](CCOc1ccccc1Cl)[C@@H]1CCCC[C@@H]1O ZINC000161079570 522919946 /nfs/dbraw/zinc/91/99/46/522919946.db2.gz CLRCFLGDBSAQDT-KGLIPLIRSA-N 1 0 283.799 2.954 20 70 CFIDRO CN(C(=O)Cc1cccc2ccccc21)[C@H](C[NH3+])C1CC1 ZINC000159797978 523851085 /nfs/dbraw/zinc/85/10/85/523851085.db2.gz YMGBEKVOXZEMFZ-QGZVFWFLSA-N 1 0 282.387 2.578 20 70 CFIDRO CN(C(=O)c1ccc(C(F)(F)F)cc1)[C@H](C[NH3+])C1CC1 ZINC000159856127 523930081 /nfs/dbraw/zinc/93/00/81/523930081.db2.gz BLAZZJNMWYKESI-GFCCVEGCSA-N 1 0 286.297 2.515 20 70 CFIDRO Cc1ccc(CCCC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000160682017 524309884 /nfs/dbraw/zinc/30/98/84/524309884.db2.gz ONEXNEYLZNHNIK-CALCHBBNSA-N 1 0 286.419 2.671 20 70 CFIDRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(Cl)c(F)c1 ZINC000159693542 524341318 /nfs/dbraw/zinc/34/13/18/524341318.db2.gz SLFYVPADPRUXJO-GXSJLCMTSA-N 1 0 284.762 2.565 20 70 CFIDRO COc1ccccc1CC[NH2+]Cc1c(C)noc1C ZINC000218596617 524422416 /nfs/dbraw/zinc/42/24/16/524422416.db2.gz WZXWIDWRNASIPD-UHFFFAOYSA-N 1 0 260.337 2.632 20 70 CFIDRO C[C@@H](CCc1ccc(O)cc1)[NH2+]CC1(CO)CCCC1 ZINC000160070381 524525490 /nfs/dbraw/zinc/52/54/90/524525490.db2.gz FMNDXVBDYBUFSD-AWEZNQCLSA-N 1 0 277.408 2.856 20 70 CFIDRO Cc1cc(C[N@@H+]2CC[C@H](O)[C@H](C)C2)c2ccccc2n1 ZINC000159397898 524705582 /nfs/dbraw/zinc/70/55/82/524705582.db2.gz FRVRENSSHHKMOF-PXAZEXFGSA-N 1 0 270.376 2.746 20 70 CFIDRO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2cccc(C(N)=O)c2)n1 ZINC000159879056 524852184 /nfs/dbraw/zinc/85/21/84/524852184.db2.gz HXGBXHOUZWSKAK-KRWDZBQOSA-N 1 0 295.386 2.826 20 70 CFIDRO C[C@@H](NC(=O)[C@H]([NH3+])c1ccccc1)[C@H](C)c1ccccc1 ZINC000160892301 525288015 /nfs/dbraw/zinc/28/80/15/525288015.db2.gz YVVLOEKUQAOTNH-JJRVBVJISA-N 1 0 282.387 2.995 20 70 CFIDRO Cc1ccccc1[C@@H](C)[NH2+]CC(=O)N(C)CC(F)(F)F ZINC000159679053 525360113 /nfs/dbraw/zinc/36/01/13/525360113.db2.gz STDZZSFGXSGXHG-LLVKDONJSA-N 1 0 288.313 2.666 20 70 CFIDRO C[C@H]([NH2+]C[C@@H]1CC(=O)Nc2ccccc21)c1cncc(F)c1 ZINC000160682044 525384344 /nfs/dbraw/zinc/38/43/44/525384344.db2.gz HNAPIQNQNGUGHD-AAEUAGOBSA-N 1 0 299.349 2.997 20 70 CFIDRO C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)C[C@@H]1CCC[NH2+]1 ZINC000159806158 525459590 /nfs/dbraw/zinc/45/95/90/525459590.db2.gz KVQIXDHBVFJGFI-INWMFGNUSA-N 1 0 290.382 2.672 20 70 CFIDRO CSCC[C@@H]([NH3+])C(=O)NCCCCC1CCCC1 ZINC000160901336 525541438 /nfs/dbraw/zinc/54/14/38/525541438.db2.gz KZRBUUXBCYZYNQ-CYBMUJFWSA-N 1 0 272.458 2.544 20 70 CFIDRO C[C@H](N[C@@H]1CCC[N@@H+](C2CCCCC2)C1)c1cnn(C)c1 ZINC000160071296 525554882 /nfs/dbraw/zinc/55/48/82/525554882.db2.gz LMVMKBVGASMFSA-GOEBONIOSA-N 1 0 290.455 2.868 20 70 CFIDRO CSC[C@H](CCO)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000160355631 525700088 /nfs/dbraw/zinc/70/00/88/525700088.db2.gz ZWYXWWXPYOJYKD-GWCFXTLKSA-N 1 0 257.374 2.590 20 70 CFIDRO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@H](C)CC(N)=O ZINC000161363634 526660678 /nfs/dbraw/zinc/66/06/78/526660678.db2.gz WHXBZOLHGYQJBW-BDAKNGLRSA-N 1 0 283.441 2.664 20 70 CFIDRO O=C(c1ccc2ccccc2c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159884299 526733943 /nfs/dbraw/zinc/73/39/43/526733943.db2.gz XSOCGVUAUHSGLD-CALCHBBNSA-N 1 0 280.371 2.806 20 70 CFIDRO Cc1nc2ccccn2c1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000160561802 527177148 /nfs/dbraw/zinc/17/71/48/527177148.db2.gz MQLULPPXEXLWPA-MRXNPFEDSA-N 1 0 298.434 2.560 20 70 CFIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H]1C[C@H](C)CC[C@@H]1C(C)C)CC2 ZINC000160580007 527195856 /nfs/dbraw/zinc/19/58/56/527195856.db2.gz YGRXEUWFJVUXDQ-SLBVQIDZSA-N 1 0 290.455 2.952 20 70 CFIDRO CCOCCC[N@@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000159587255 528660033 /nfs/dbraw/zinc/66/00/33/528660033.db2.gz NDVCZSWBHYEXDH-OAHLLOKOSA-N 1 0 267.369 2.687 20 70 CFIDRO CCC[NH+]1CCC(NCc2ccc(OC(C)C)nc2)CC1 ZINC000160030959 545588105 /nfs/dbraw/zinc/58/81/05/545588105.db2.gz KDBCDAISMJVCJO-UHFFFAOYSA-N 1 0 291.439 2.833 20 70 CFIDRO Cc1nc2ccccn2c1C[N@H+]1CCS[C@H](C)[C@@H]1C ZINC000160501768 282091397 /nfs/dbraw/zinc/09/13/97/282091397.db2.gz GGZKXPZOXLXOPQ-QWHCGFSZSA-N 1 0 275.421 2.969 20 70 CFIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccccc1C)CC2 ZINC000159597061 282118484 /nfs/dbraw/zinc/11/84/84/282118484.db2.gz HZTHAJRQXJHSNO-OCCSQVGLSA-N 1 0 270.380 2.561 20 70 CFIDRO Cc1ccccc1SCC(=O)NCC1([NH3+])CCCCC1 ZINC000159507693 232244870 /nfs/dbraw/zinc/24/48/70/232244870.db2.gz HYAIVDLYTBAUSY-UHFFFAOYSA-N 1 0 292.448 2.865 20 70 CFIDRO COc1ccc([C@@H](C)[C@H](C)[NH2+]CC(C)(C)O)cc1 ZINC000160629999 232249130 /nfs/dbraw/zinc/24/91/30/232249130.db2.gz GZZHSZHTEZYIFF-RYUDHWBXSA-N 1 0 251.370 2.548 20 70 CFIDRO Cc1cc(C)c(CNC(=O)[C@@]2(C)CCC[NH2+]C2)c(C)c1 ZINC000161356160 232250750 /nfs/dbraw/zinc/25/07/50/232250750.db2.gz QAZKBCUJFKJJEO-KRWDZBQOSA-N 1 0 274.408 2.618 20 70 CFIDRO Fc1ccc2c(c1)[nH+]ccc2N1CCC(n2ccnn2)CC1 ZINC000160194707 136708919 /nfs/dbraw/zinc/70/89/19/136708919.db2.gz DHHSYENSVYKMBR-UHFFFAOYSA-N 1 0 297.337 2.807 20 70 CFIDRO Cc1cccn2c(=O)cc(C[N@@H+]3CC[C@@H]4CCCC[C@@H]43)nc12 ZINC000159632345 348013275 /nfs/dbraw/zinc/01/32/75/348013275.db2.gz SAZFQHIMADAMAM-HOCLYGCPSA-N 1 0 297.402 2.767 20 70 CFIDRO C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@H]1CCCSC1 ZINC000159614378 348013588 /nfs/dbraw/zinc/01/35/88/348013588.db2.gz DRYCDWIPDWZRMZ-KGLIPLIRSA-N 1 0 284.469 2.653 20 70 CFIDRO CCSCC[C@H](C)[NH2+]C[C@H](O)COc1ccc(C)cc1 ZINC000160164801 348016313 /nfs/dbraw/zinc/01/63/13/348016313.db2.gz YOVWHTWJFUZZAL-GJZGRUSLSA-N 1 0 297.464 2.856 20 70 CFIDRO COc1cc(NC(=O)CC[C@@H]2CCC[NH2+]C2)ccc1F ZINC000160343001 348016705 /nfs/dbraw/zinc/01/67/05/348016705.db2.gz JAUMQPSBZQJUIW-NSHDSACASA-N 1 0 280.343 2.553 20 70 CFIDRO CCCC[C@@H](NC(=O)CC[NH2+]C(C)C)C1CCC1 ZINC000160780051 348020318 /nfs/dbraw/zinc/02/03/18/348020318.db2.gz IPUCFTDZKAFJIA-CQSZACIVSA-N 1 0 254.418 2.850 20 70 CFIDRO C[C@H]1CN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c2ccccc21 ZINC000160760364 348020465 /nfs/dbraw/zinc/02/04/65/348020465.db2.gz CFKWJASMCWHDKU-ZFWWWQNUSA-N 1 0 299.418 2.804 20 70 CFIDRO C[C@@H](C1CC1)[N@H+](C)Cc1nnc(-c2ccccc2)n1C ZINC000160853956 348021566 /nfs/dbraw/zinc/02/15/66/348021566.db2.gz JGVWWDYDIRUWRJ-LBPRGKRZSA-N 1 0 270.380 2.712 20 70 CFIDRO CC[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]CCN ZINC000218291254 348166628 /nfs/dbraw/zinc/16/66/28/348166628.db2.gz JKOBLQCUFCOUKO-LLVKDONJSA-N 1 0 261.196 2.863 20 70 CFIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)CCc2cc(Cl)cs2)C1 ZINC000160804283 539730708 /nfs/dbraw/zinc/73/07/08/539730708.db2.gz MEBSYIGZVFIWCA-WDEREUQCSA-N 1 0 286.828 2.720 20 70 CFIDRO CCC(C)(CC)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000159494763 539825817 /nfs/dbraw/zinc/82/58/17/539825817.db2.gz XQJIEEXZKPVZFY-KGLIPLIRSA-N 1 0 266.429 2.755 20 70 CFIDRO Cc1ccc(C(=O)NCC2([NH3+])CCCCC2)c(F)c1 ZINC000159685008 188436957 /nfs/dbraw/zinc/43/69/57/188436957.db2.gz TWYWUXFKVNUUOD-UHFFFAOYSA-N 1 0 264.344 2.526 20 70 CFIDRO CC(C)[C@@H](O)C[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000160150364 188457437 /nfs/dbraw/zinc/45/74/37/188457437.db2.gz OBRZMJJBROKKQH-LBPRGKRZSA-N 1 0 279.277 2.951 20 70 CFIDRO CCSCc1ccc(C(=O)N2CCC[C@@H]2C[NH3+])cc1 ZINC000160233482 188461021 /nfs/dbraw/zinc/46/10/21/188461021.db2.gz UBKSFOHBFILSGN-CQSZACIVSA-N 1 0 278.421 2.503 20 70 CFIDRO CC(C)[C@@H]1CCN(C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000160979918 188501332 /nfs/dbraw/zinc/50/13/32/188501332.db2.gz YYEUTABWTXRQEZ-CYBMUJFWSA-N 1 0 261.369 2.655 20 70 CFIDRO COc1cccc(F)c1[C@H](C)NC(=O)CCCCCC[NH3+] ZINC000161049370 188505353 /nfs/dbraw/zinc/50/53/53/188505353.db2.gz UIYNLUFZCMELPF-LBPRGKRZSA-N 1 0 296.386 2.921 20 70 CFIDRO C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)C1CC[NH2+]CC1 ZINC000161244576 188517693 /nfs/dbraw/zinc/51/76/93/188517693.db2.gz XAEZPPXQMHQEBI-WFASDCNBSA-N 1 0 290.382 2.530 20 70 CFIDRO Cc1ccc2cc(C(=O)N3CCC[C@@H]([NH+](C)C)C3)ccc2n1 ZINC000161480937 188529829 /nfs/dbraw/zinc/52/98/29/188529829.db2.gz ICLUPDHMLXUCIT-MRXNPFEDSA-N 1 0 297.402 2.709 20 70 CFIDRO CN(C(=O)c1cc2ccc(F)cc2s1)[C@@H](C[NH3+])C1CC1 ZINC000159846915 540663696 /nfs/dbraw/zinc/66/36/96/540663696.db2.gz YTQBWISYPLEIIT-LBPRGKRZSA-N 1 0 292.379 2.850 20 70 CFIDRO CC1CCN(C(=O)C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)CC1 ZINC000159667718 540661159 /nfs/dbraw/zinc/66/11/59/540661159.db2.gz YUHPCHJAMZBLCL-GJZGRUSLSA-N 1 0 264.413 2.509 20 70 CFIDRO CCCn1nccc1C[NH2+][C@H](C)CCc1ccco1 ZINC000159985587 540666275 /nfs/dbraw/zinc/66/62/75/540666275.db2.gz OQELPGWDLDRVGF-CYBMUJFWSA-N 1 0 261.369 2.997 20 70 CFIDRO CC[C@H](OC1CCCCC1)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000160791821 540680283 /nfs/dbraw/zinc/68/02/83/540680283.db2.gz SWYNLQUPQKAPAQ-GUTXKFCHSA-N 1 0 282.428 2.500 20 70 CFIDRO [NH3+][C@H]1CCC[C@H](NC(=O)CC2CCCCCC2)C1 ZINC000160890389 540682708 /nfs/dbraw/zinc/68/27/08/540682708.db2.gz QQEUOVGZPVHXNS-KBPBESRZSA-N 1 0 252.402 2.733 20 70 CFIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000160965410 540684542 /nfs/dbraw/zinc/68/45/42/540684542.db2.gz GLMOJXBMIVIZEL-RYUDHWBXSA-N 1 0 286.297 2.705 20 70 CFIDRO CC(C)[C@@H]1CCN(C(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000160979648 540685256 /nfs/dbraw/zinc/68/52/56/540685256.db2.gz UGPWERZOIOIXDZ-CYBMUJFWSA-N 1 0 261.369 2.655 20 70 CFIDRO CC(C)COc1cccc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000161359087 540692269 /nfs/dbraw/zinc/69/22/69/540692269.db2.gz SJBIITWLCSRIIH-LSDHHAIUSA-N 1 0 290.407 2.721 20 70 CFIDRO Cc1ccc(C)c(SCC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000161418953 540692774 /nfs/dbraw/zinc/69/27/74/540692774.db2.gz QVFCZCKYWXKUTL-KGLIPLIRSA-N 1 0 292.448 2.782 20 70 CFIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)CCc2ccccc2Cl)C1 ZINC000161391022 540692861 /nfs/dbraw/zinc/69/28/61/540692861.db2.gz OICCDDNFPWZOLS-QWHCGFSZSA-N 1 0 280.799 2.659 20 70 CFIDRO Cc1nc(-c2ccco2)ccc1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161208480 540691377 /nfs/dbraw/zinc/69/13/77/540691377.db2.gz FOMGANHMLDAMEF-STQMWFEESA-N 1 0 299.374 2.650 20 70 CFIDRO Cc1nc(CC(C)C)c(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)s1 ZINC000161411523 540692968 /nfs/dbraw/zinc/69/29/68/540692968.db2.gz FWSKQTUIMURQPB-NWDGAFQWSA-N 1 0 295.452 2.650 20 70 CFIDRO CCCC[C@H](CC)CC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161458267 540693379 /nfs/dbraw/zinc/69/33/79/540693379.db2.gz FGJOKCOPXJVRLO-MELADBBJSA-N 1 0 254.418 2.979 20 70 CFIDRO Cc1cccc([C@H]2CCC[N@H+]2CCCc2cnn(C)c2)n1 ZINC000159819658 541012855 /nfs/dbraw/zinc/01/28/55/541012855.db2.gz MUQKIQGEBIGENZ-QGZVFWFLSA-N 1 0 284.407 2.893 20 70 CFIDRO C[N@H+](C[C@H](O)C1CC1)[C@@H]1CCCc2ccc(F)cc21 ZINC000160762141 541472406 /nfs/dbraw/zinc/47/24/06/541472406.db2.gz QXXASVXDLIPSKO-CVEARBPZSA-N 1 0 263.356 2.906 20 70 CFIDRO CCN(CC)C(=O)[C@@H]([NH2+]C1CC=CC1)c1ccccc1 ZINC000160892978 541491852 /nfs/dbraw/zinc/49/18/52/541491852.db2.gz YGUKUVOKNVSOAP-INIZCTEOSA-N 1 0 272.392 2.904 20 70 CFIDRO CC(C)[C@H](CC(=O)NCC(C)(C)[NH3+])c1ccccc1 ZINC000159941111 378738322 /nfs/dbraw/zinc/73/83/22/378738322.db2.gz YXBGXVPFJJRLMS-AWEZNQCLSA-N 1 0 262.397 2.670 20 70 CFIDRO COc1ccc(CCCCCC(=O)NCC(C)(C)[NH3+])cc1 ZINC000159999771 378742674 /nfs/dbraw/zinc/74/26/74/378742674.db2.gz GJWICKYAZJQDSK-UHFFFAOYSA-N 1 0 292.423 2.652 20 70 CFIDRO CCCC[C@H](COC)[NH2+]C[C@@](C)(O)c1ccsc1 ZINC000160033929 378743949 /nfs/dbraw/zinc/74/39/49/378743949.db2.gz TXGQCONZJIEJSK-ZIAGYGMSSA-N 1 0 271.426 2.750 20 70 CFIDRO CC(C)Sc1ccccc1C(=O)NCC(C)(C)[NH3+] ZINC000160059142 378744841 /nfs/dbraw/zinc/74/48/41/378744841.db2.gz RLTLLWJPBZZFKP-UHFFFAOYSA-N 1 0 266.410 2.654 20 70 CFIDRO CC[C@H]([NH2+]Cc1ccc(OC(C)C)nc1)c1cnn(C)c1 ZINC000160037882 378745039 /nfs/dbraw/zinc/74/50/39/378745039.db2.gz SGDFMMFKVHNKBI-HNNXBMFYSA-N 1 0 288.395 2.843 20 70 CFIDRO CC[NH+](CC)[C@@H](C)CNC(=O)[C@H](C)c1cccs1 ZINC000160070878 378746720 /nfs/dbraw/zinc/74/67/20/378746720.db2.gz FHGBWIRABUPSGO-NWDGAFQWSA-N 1 0 268.426 2.698 20 70 CFIDRO CC[NH+](CC)[C@H](C)CNC(=O)[C@H](C)c1cccs1 ZINC000160070991 378747292 /nfs/dbraw/zinc/74/72/92/378747292.db2.gz FHGBWIRABUPSGO-VXGBXAGGSA-N 1 0 268.426 2.698 20 70 CFIDRO C[C@]1(c2ccccc2)CCCN(C(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000160101763 378748804 /nfs/dbraw/zinc/74/88/04/378748804.db2.gz FMMPMSHSWKMAOQ-AEFFLSMTSA-N 1 0 286.419 2.709 20 70 CFIDRO CN(Cc1cc(-c2cccs2)on1)[C@H](C[NH3+])C1CC1 ZINC000160111696 378749712 /nfs/dbraw/zinc/74/97/12/378749712.db2.gz XFWWBXLOLNEUMZ-GFCCVEGCSA-N 1 0 277.393 2.572 20 70 CFIDRO Cc1cnc(N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)nc1 ZINC000160223271 378758056 /nfs/dbraw/zinc/75/80/56/378758056.db2.gz QONXQTKAWRRZHA-HOCLYGCPSA-N 1 0 282.391 2.717 20 70 CFIDRO CCc1nnc(C[N@@H+]2C[C@@H](c3ccccc3)C(C)(C)C2)[nH]1 ZINC000159369946 378705783 /nfs/dbraw/zinc/70/57/83/378705783.db2.gz VIUOPMIENGURBF-AWEZNQCLSA-N 1 0 284.407 2.993 20 70 CFIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)c1cccc(Br)c1 ZINC000159399521 378706852 /nfs/dbraw/zinc/70/68/52/378706852.db2.gz BWSOHOQKCFZZLB-ZJUUUORDSA-N 1 0 272.186 2.823 20 70 CFIDRO Cc1cccc(C(=O)NCC2([NH3+])CCCCC2)c1C ZINC000159505479 378714351 /nfs/dbraw/zinc/71/43/51/378714351.db2.gz FBKKGAFCOSGZQL-UHFFFAOYSA-N 1 0 260.381 2.695 20 70 CFIDRO COC[C@H](Cc1ccccc1)[NH2+][C@H]1CCCSC1 ZINC000159587137 378718935 /nfs/dbraw/zinc/71/89/35/378718935.db2.gz PLESWAISKCZBJP-GJZGRUSLSA-N 1 0 265.422 2.729 20 70 CFIDRO CCc1ccc(C[NH2+][C@H]2[C@H]3CCO[C@@H]3C23CCC3)o1 ZINC000159596074 378719019 /nfs/dbraw/zinc/71/90/19/378719019.db2.gz XXPZYUMOZCROQU-ILXRZTDVSA-N 1 0 261.365 2.889 20 70 CFIDRO C[C@H]([NH2+][C@@H]1CCCSC1)c1ccc([S@](C)=O)cc1 ZINC000159605099 378720019 /nfs/dbraw/zinc/72/00/19/378720019.db2.gz LDZYBQBCBQKDLM-WHWRDJHUSA-N 1 0 283.462 2.970 20 70 CFIDRO CCC(CC)(C[NH2+]Cc1cnc(Cl)s1)C(=O)OC ZINC000159660013 378722434 /nfs/dbraw/zinc/72/24/34/378722434.db2.gz DVGWSTWTGOOEKA-UHFFFAOYSA-N 1 0 290.816 2.866 20 70 CFIDRO [NH3+]CCCC(=O)NCC1(Sc2ccccc2)CCCC1 ZINC000159675383 378725049 /nfs/dbraw/zinc/72/50/49/378725049.db2.gz YNZIFMZQEAIRMI-UHFFFAOYSA-N 1 0 292.448 2.947 20 70 CFIDRO C[N@@H+](Cc1ccc(OC(F)F)cc1)C[C@H]1CCC[C@@H]1O ZINC000159712245 378725736 /nfs/dbraw/zinc/72/57/36/378725736.db2.gz UEPJMGYCZFBVDC-OCCSQVGLSA-N 1 0 285.334 2.881 20 70 CFIDRO Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)CO[C@@H]1CCOC1 ZINC000159778779 378730120 /nfs/dbraw/zinc/73/01/20/378730120.db2.gz NLDJWFGJSNZYPZ-RRFJBIMHSA-N 1 0 263.381 2.840 20 70 CFIDRO CN(C)c1cccc(C[N@H+](C)Cc2cccnc2)c1 ZINC000159788642 378730171 /nfs/dbraw/zinc/73/01/71/378730171.db2.gz HWFQHLHCYNTQRV-UHFFFAOYSA-N 1 0 255.365 2.780 20 70 CFIDRO C[C@H](C[NH2+][C@H](C)c1cnn(C)c1)N1CCc2ccccc2C1 ZINC000159809355 378732369 /nfs/dbraw/zinc/73/23/69/378732369.db2.gz DWCYNWDWOZWLKH-HUUCEWRRSA-N 1 0 298.434 2.518 20 70 CFIDRO CCC[C@H]([NH3+])C(=O)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000159811359 378732380 /nfs/dbraw/zinc/73/23/80/378732380.db2.gz HZOMLMNITPCLER-JSGCOSHPSA-N 1 0 280.799 2.783 20 70 CFIDRO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CCn1ccnc1 ZINC000159837758 378733742 /nfs/dbraw/zinc/73/37/42/378733742.db2.gz NPVJFFULTYRVHH-ZFWWWQNUSA-N 1 0 273.355 2.900 20 70 CFIDRO C[C@@H](CC1CC1)NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000159843732 378733920 /nfs/dbraw/zinc/73/39/20/378733920.db2.gz YTGUDDYNTSIBKG-HOCLYGCPSA-N 1 0 293.455 2.835 20 70 CFIDRO COCC[NH2+]Cc1cccc(Br)c1Cl ZINC000160397500 378768567 /nfs/dbraw/zinc/76/85/67/378768567.db2.gz ZNUHRGNDKVMCQY-UHFFFAOYSA-N 1 0 278.577 2.839 20 70 CFIDRO CC1(C)C[C@@H]([NH2+]Cc2cccc(-n3cccn3)c2)CCO1 ZINC000160533353 378778415 /nfs/dbraw/zinc/77/84/15/378778415.db2.gz DCDZKWFVIYFBSQ-HNNXBMFYSA-N 1 0 285.391 2.920 20 70 CFIDRO Cc1ccc(CN(C(=O)C[C@@H]2CCC[NH2+]2)C2CC2)cc1C ZINC000160550055 378781017 /nfs/dbraw/zinc/78/10/17/378781017.db2.gz ZCLAQCDPNZEIJV-INIZCTEOSA-N 1 0 286.419 2.937 20 70 CFIDRO CC1(C)C[C@H]([NH2+]Cc2cccc3c2OCCCO3)CCO1 ZINC000160540563 378781108 /nfs/dbraw/zinc/78/11/08/378781108.db2.gz FRJBPQQLNYXUSG-CQSZACIVSA-N 1 0 291.391 2.895 20 70 CFIDRO COc1cc(C[NH2+][C@@H]2CCOC(C)(C)C2)cc(OC)c1 ZINC000160566968 378782556 /nfs/dbraw/zinc/78/25/56/378782556.db2.gz YTQAHUURPOICLB-CYBMUJFWSA-N 1 0 279.380 2.751 20 70 CFIDRO C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]CC(C)(C)O ZINC000160592510 378784820 /nfs/dbraw/zinc/78/48/20/378784820.db2.gz SXPPBVZYOYCXSP-YGRLFVJLSA-N 1 0 251.345 2.810 20 70 CFIDRO CC(C)(O)C[NH2+][C@@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000160632588 378785694 /nfs/dbraw/zinc/78/56/94/378785694.db2.gz CQGOZSYFCBJXBY-UONOGXRCSA-N 1 0 251.345 2.822 20 70 CFIDRO CC[C@H]([NH2+]CCNC(=O)C(C)C)c1ccc(F)cc1F ZINC000160660900 378789908 /nfs/dbraw/zinc/78/99/08/378789908.db2.gz GNWBFEMKJUPVLC-AWEZNQCLSA-N 1 0 284.350 2.778 20 70 CFIDRO C[C@H]([NH2+]CC(C)(C)O)c1ccc(F)cc1OC(F)F ZINC000160650657 378790073 /nfs/dbraw/zinc/79/00/73/378790073.db2.gz GOVPIJSXJWAQOC-QMMMGPOBSA-N 1 0 277.286 2.849 20 70 CFIDRO C[C@H](c1ccccc1)[NH+]1CCN(Cc2ccncc2)CC1 ZINC000161199787 378829984 /nfs/dbraw/zinc/82/99/84/378829984.db2.gz COWRTHQNSNORIC-MRXNPFEDSA-N 1 0 281.403 2.960 20 70 CFIDRO C[C@H]([NH2+]C[C@@H]1CSCCS1)c1cscn1 ZINC000161220730 378830478 /nfs/dbraw/zinc/83/04/78/378830478.db2.gz IIOOCJBRGFNQLQ-DTWKUNHWSA-N 1 0 260.453 2.642 20 70 CFIDRO C[C@@H]([NH2+]C[C@H]1CSCCS1)c1cscn1 ZINC000161221081 378831051 /nfs/dbraw/zinc/83/10/51/378831051.db2.gz IIOOCJBRGFNQLQ-BDAKNGLRSA-N 1 0 260.453 2.642 20 70 CFIDRO COc1ccc(CN(C)CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000161275530 378836298 /nfs/dbraw/zinc/83/62/98/378836298.db2.gz QYYNBVMIZLRIBY-HNNXBMFYSA-N 1 0 262.397 2.611 20 70 CFIDRO C[C@H](C[NH2+][C@H](C)c1cnn(C)c1)N(C)Cc1ccccc1 ZINC000160866585 378805981 /nfs/dbraw/zinc/80/59/81/378805981.db2.gz WMGHNYFKUHKADC-HUUCEWRRSA-N 1 0 286.423 2.591 20 70 CFIDRO COC[C@@H]([NH2+]C[C@H](C)N(C)Cc1ccccc1)C(C)C ZINC000160882401 378806341 /nfs/dbraw/zinc/80/63/41/378806341.db2.gz QJSAVUFUPCJMRU-DOTOQJQBSA-N 1 0 278.440 2.768 20 70 CFIDRO Cc1cc(NC(=O)C[C@@H]2CCC[NH2+]2)ccc1OC(C)C ZINC000160905500 378807995 /nfs/dbraw/zinc/80/79/95/378807995.db2.gz DPAIGGYTPSRZSC-ZDUSSCGKSA-N 1 0 276.380 2.863 20 70 CFIDRO O=C([C@H]1CCC[NH2+]C1)N(Cc1ccc(F)cc1)CC1CC1 ZINC000160910750 378810256 /nfs/dbraw/zinc/81/02/56/378810256.db2.gz IRSNZVXAXMDLEF-HNNXBMFYSA-N 1 0 290.382 2.564 20 70 CFIDRO C[C@H](CCC1CCCCC1)NC(=O)[C@H]1CCC[NH2+]C1 ZINC000160915851 378810407 /nfs/dbraw/zinc/81/04/07/378810407.db2.gz XFQIDMDIIQYVQH-HIFRSBDPSA-N 1 0 266.429 2.851 20 70 CFIDRO Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)CC[NH3+] ZINC000160940648 378812095 /nfs/dbraw/zinc/81/20/95/378812095.db2.gz LBUDHGGVFCQLHI-CQSZACIVSA-N 1 0 288.416 2.805 20 70 CFIDRO C[C@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1ccco1 ZINC000160947872 378812107 /nfs/dbraw/zinc/81/21/07/378812107.db2.gz VWKXPCKAMKADOB-LBPRGKRZSA-N 1 0 293.388 2.675 20 70 CFIDRO COc1cc([C@@H](C)[NH2+]CC(=O)NC(C)C)ccc1SC ZINC000160979241 378813692 /nfs/dbraw/zinc/81/36/92/378813692.db2.gz JTPOUVWETHRDGO-LLVKDONJSA-N 1 0 296.436 2.592 20 70 CFIDRO C[C@@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1cncc(F)c1 ZINC000161104395 378821715 /nfs/dbraw/zinc/82/17/15/378821715.db2.gz BSXLURPWKBSSBN-DFBGVHRSSA-N 1 0 265.376 2.744 20 70 CFIDRO CC(=O)NC1CCC(Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000161092509 378821843 /nfs/dbraw/zinc/82/18/43/378821843.db2.gz CKDQGIZITQLFAR-UHFFFAOYSA-N 1 0 289.423 2.607 20 70 CFIDRO CC[C@@H](COC)[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000161147484 378826660 /nfs/dbraw/zinc/82/66/60/378826660.db2.gz CLLXMAYJFLTSFR-YOEHRIQHSA-N 1 0 291.391 2.924 20 70 CFIDRO C[C@]1(C(=O)Nc2nc(-c3ccco3)cs2)CCC[NH2+]C1 ZINC000161353091 378840708 /nfs/dbraw/zinc/84/07/08/378840708.db2.gz GLCVVGRVIHUECO-AWEZNQCLSA-N 1 0 291.376 2.731 20 70 CFIDRO C[NH2+]CC(=O)N1CCCC[C@H]1c1cccc(C)c1C ZINC000161337348 378841474 /nfs/dbraw/zinc/84/14/74/378841474.db2.gz XJOOPLMPIQLNLI-HNNXBMFYSA-N 1 0 260.381 2.576 20 70 CFIDRO CN(Cc1cc2ccccc2o1)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000161414267 378844454 /nfs/dbraw/zinc/84/44/54/378844454.db2.gz QIMODDQJTWDESI-QWHCGFSZSA-N 1 0 272.348 2.519 20 70 CFIDRO CN1CCC([NH2+][C@@H]2CCCOc3ccc(F)cc32)CC1 ZINC000161444082 378847877 /nfs/dbraw/zinc/84/78/77/378847877.db2.gz KIAIWHLRHOPAOC-OAHLLOKOSA-N 1 0 278.371 2.723 20 70 CFIDRO Cc1ccc(NC(=O)[C@H](C)[NH3+])cc1OCCC(C)C ZINC000161509305 378852814 /nfs/dbraw/zinc/85/28/14/378852814.db2.gz RIXGGRONWOANJS-LBPRGKRZSA-N 1 0 264.369 2.706 20 70 CFIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)C1 ZINC000161305875 378837787 /nfs/dbraw/zinc/83/77/87/378837787.db2.gz SBVKWDQHDNOUDF-QCNOEVLYSA-N 1 0 292.345 2.741 20 70 CFIDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)cn1 ZINC000161301712 378837988 /nfs/dbraw/zinc/83/79/88/378837988.db2.gz YJVLTURCLCIURB-RBZFPXEDSA-N 1 0 288.416 2.978 20 70 CFIDRO CC(C)CC[C@@](C)(O)C[NH2+]C1Cc2ccccc2C1 ZINC000159404202 322322155 /nfs/dbraw/zinc/32/21/55/322322155.db2.gz CFMRHOQZOPSZOI-QGZVFWFLSA-N 1 0 261.409 2.931 20 70 CFIDRO CCCNC(=O)C[NH2+]C/C(C)=C/c1ccc(Cl)cc1 ZINC000159893016 322329844 /nfs/dbraw/zinc/32/98/44/322329844.db2.gz QCVRPYRQQDCOAJ-FMIVXFBMSA-N 1 0 280.799 2.859 20 70 CFIDRO CCCC[N@H+](C[C@@H]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000160758517 322342106 /nfs/dbraw/zinc/34/21/06/322342106.db2.gz UCUOUQZMFDNOCQ-HUUCEWRRSA-N 1 0 285.453 2.632 20 70 CFIDRO CC[C@@H](C)[N@H+](C)CCNCc1ccc(OC)c(OC)c1 ZINC000217383180 382786152 /nfs/dbraw/zinc/78/61/52/382786152.db2.gz SKZSUSZYCAOSBJ-CYBMUJFWSA-N 1 0 280.412 2.524 20 70 CFIDRO CC[C@@H](C)N(C)CC[NH2+]Cc1cc(C)c(O)c(C)c1 ZINC000217735574 382788030 /nfs/dbraw/zinc/78/80/30/382788030.db2.gz YVQYCRZMYKXFSK-CQSZACIVSA-N 1 0 264.413 2.829 20 70 CFIDRO CSC[C@](C)(O)C[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000217856242 382788060 /nfs/dbraw/zinc/78/80/60/382788060.db2.gz VEXBZUUDMIZLOO-GFCCVEGCSA-N 1 0 293.354 2.909 20 70 CFIDRO CC(C)(C)OC(=O)NCC[NH2+][C@H]1CCc2c1cccc2F ZINC000218157044 382789228 /nfs/dbraw/zinc/78/92/28/382789228.db2.gz QABXYZDJULYICW-AWEZNQCLSA-N 1 0 294.370 2.927 20 70 CFIDRO COCCCC[N@H+](CCc1nccs1)C(C)C ZINC000159942987 533255744 /nfs/dbraw/zinc/25/57/44/533255744.db2.gz ZTLDOFVZCDHQJU-UHFFFAOYSA-N 1 0 256.415 2.823 20 70 CFIDRO CC[C@H]([NH3+])C(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000160082147 394366079 /nfs/dbraw/zinc/36/60/79/394366079.db2.gz GAPFCRPCUHQPEG-WDEREUQCSA-N 1 0 287.190 2.834 20 70 CFIDRO CCCC[C@H](CC)CC(=O)N1CCC[C@@H]1C[NH2+]C ZINC000161238696 394367251 /nfs/dbraw/zinc/36/72/51/394367251.db2.gz ADIOPAGAZJGAAN-UONOGXRCSA-N 1 0 254.418 2.803 20 70 CFIDRO C[C@@H]([NH2+][C@@H]1CCC[C@@H](C)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000218055079 287058522 /nfs/dbraw/zinc/05/85/22/287058522.db2.gz YUFWAPWWVRJZKQ-YRGRVCCFSA-N 1 0 296.436 2.563 20 70 CFIDRO O=C(C[C@@H]1CCC[NH2+]1)N1CC2(CCCC2)c2ccccc21 ZINC000159369936 274976578 /nfs/dbraw/zinc/97/65/78/274976578.db2.gz UWIZBMSGWAKHAT-AWEZNQCLSA-N 1 0 284.403 2.987 20 70 CFIDRO CC(C)NC(=O)C[NH2+][C@@H](CCc1ccccc1)C(C)C ZINC000160984075 275964227 /nfs/dbraw/zinc/96/42/27/275964227.db2.gz UQKAQCDIPJAJRJ-INIZCTEOSA-N 1 0 276.424 2.758 20 70 CFIDRO C[NH2+]C[C@@H]1CCCN([C@@H](C)c2ccc(F)cc2F)C1 ZINC000218063014 277026699 /nfs/dbraw/zinc/02/66/99/277026699.db2.gz DYWAHTUXFIABNB-RYUDHWBXSA-N 1 0 268.351 2.957 20 70 CFIDRO CC(C)(O)C[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000160603210 277317562 /nfs/dbraw/zinc/31/75/62/277317562.db2.gz NVFKHOBVXZFZTN-LBPRGKRZSA-N 1 0 269.772 2.914 20 70 CFIDRO Cc1ccccc1C1(C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000159482770 278948950 /nfs/dbraw/zinc/94/89/50/278948950.db2.gz AEFVSQYVVXXQJO-UHFFFAOYSA-N 1 0 286.419 2.804 20 70 CFIDRO C[C@]1(C(=O)Nc2nc3c(s2)CCCCC3)CCC[NH2+]C1 ZINC000161323520 280151246 /nfs/dbraw/zinc/15/12/46/280151246.db2.gz HODRSGYKWUTNAR-HNNXBMFYSA-N 1 0 293.436 2.740 20 70 CFIDRO CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000161385551 280156700 /nfs/dbraw/zinc/15/67/00/280156700.db2.gz XRBMSHORXHVCBE-IRXDYDNUSA-N 1 0 288.435 2.917 20 70 CFIDRO COc1cccc([C@H](C)C(=O)NCC2([NH3+])CCCCC2)c1 ZINC000159495224 295323378 /nfs/dbraw/zinc/32/33/78/295323378.db2.gz XAPPGXHFFLGSKY-ZDUSSCGKSA-N 1 0 290.407 2.577 20 70 CFIDRO C[C@@H]1CCC[C@@H](C(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000159370577 322321699 /nfs/dbraw/zinc/32/16/99/322321699.db2.gz YJQQMHMAVRSMOJ-CHWSQXEVSA-N 1 0 264.413 2.556 20 70 CFIDRO CC(C)CC[C@@](C)(O)C[NH2+][C@H](C)CC1CCOCC1 ZINC000159443502 322323078 /nfs/dbraw/zinc/32/30/78/322323078.db2.gz JLFSNPJDDJHQQF-GDBMZVCRSA-N 1 0 271.445 2.968 20 70 CFIDRO C[N@@H+]1CCC[C@H](CNC(=O)CC/C=C/c2ccccc2)C1 ZINC000159506456 322323294 /nfs/dbraw/zinc/32/32/94/322323294.db2.gz APLWBVCANVPUCA-JSNVTFDYSA-N 1 0 286.419 2.938 20 70 CFIDRO Cc1nc(C)c(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)s1 ZINC000159474831 322323605 /nfs/dbraw/zinc/32/36/05/322323605.db2.gz MUELZHQHAIWSOM-YUTCNCBUSA-N 1 0 278.421 2.807 20 70 CFIDRO Cc1cccc2c(CCNC(=O)CC[NH2+]C(C)C)c[nH]c21 ZINC000159559730 322323832 /nfs/dbraw/zinc/32/38/32/322323832.db2.gz DFZXFBJZTJXVDQ-UHFFFAOYSA-N 1 0 287.407 2.523 20 70 CFIDRO CC[C@H](OC1CCCCC1)C(=O)NCC(C)(C)C[NH+](C)C ZINC000159583427 322324643 /nfs/dbraw/zinc/32/46/43/322324643.db2.gz FNNAGJLMHKBHSV-HNNXBMFYSA-N 1 0 298.471 2.818 20 70 CFIDRO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]21)NCc1ccccc1F ZINC000159613740 322325185 /nfs/dbraw/zinc/32/51/85/322325185.db2.gz LNAQLHLZZCGTPN-BBRMVZONSA-N 1 0 290.382 2.706 20 70 CFIDRO C[C@H](CNC(=O)NCC1(C2CC2)CC1)C[NH+]1CCCCC1 ZINC000159686720 322326672 /nfs/dbraw/zinc/32/66/72/322326672.db2.gz OGUZWDKRXWXQAT-CQSZACIVSA-N 1 0 293.455 2.598 20 70 CFIDRO CCCCO[C@@H]1C[C@H]([NH2+][C@@H](C)[C@@H]2CCOC2)C1(C)C ZINC000159774129 322327948 /nfs/dbraw/zinc/32/79/48/322327948.db2.gz ASNFUZFPXDUESJ-LJISPDSOSA-N 1 0 269.429 2.985 20 70 CFIDRO Cc1nc2ccccn2c1C[N@@H+]1CCS[C@H](C)C1 ZINC000159796047 322328487 /nfs/dbraw/zinc/32/84/87/322328487.db2.gz XNFYLAJDIIHZDZ-LLVKDONJSA-N 1 0 261.394 2.580 20 70 CFIDRO CN(C(=O)/C=C/c1ccc(Cl)cc1)[C@H](C[NH3+])C1CC1 ZINC000159868277 322329267 /nfs/dbraw/zinc/32/92/67/322329267.db2.gz FFKYQKBODGCEPU-CEOUIICOSA-N 1 0 278.783 2.549 20 70 CFIDRO Cc1cccc(CC[NH2+]Cc2ccc(-n3cncn3)cc2)c1 ZINC000159904861 322330087 /nfs/dbraw/zinc/33/00/87/322330087.db2.gz UPDQWKWSKYMERX-UHFFFAOYSA-N 1 0 292.386 2.908 20 70 CFIDRO CCN(CC(C)C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000159923675 322330257 /nfs/dbraw/zinc/33/02/57/322330257.db2.gz LAUPFMIFRKDVIC-UHFFFAOYSA-N 1 0 262.397 2.866 20 70 CFIDRO C[C@@H]1CCC[N@@H+]1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000159917437 322330649 /nfs/dbraw/zinc/33/06/49/322330649.db2.gz WDKXONIGLIZTKJ-CYBMUJFWSA-N 1 0 266.429 2.755 20 70 CFIDRO CC(C)C[C@@H](C)NC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000160245696 322335281 /nfs/dbraw/zinc/33/52/81/322335281.db2.gz RZSDLGJUTDZXFG-CABCVRRESA-N 1 0 283.460 2.698 20 70 CFIDRO CC[C@@H](C[NH2+][C@@H](COC)C1CC1)Oc1ccccc1F ZINC000160342176 322336915 /nfs/dbraw/zinc/33/69/15/322336915.db2.gz ZCGSHYWUJKXKFZ-ZFWWWQNUSA-N 1 0 281.371 2.998 20 70 CFIDRO CC[C@H](C)C[N@H+](CC)[C@@H](C)C(=O)Nc1c(C)nn(C)c1C ZINC000160560992 322339383 /nfs/dbraw/zinc/33/93/83/322339383.db2.gz HFWFKTLXRUAPQC-FZMZJTMJSA-N 1 0 294.443 2.732 20 70 CFIDRO COc1ccc([C@@H](C)[NH2+]CC(C)(C)O)cc1Cl ZINC000160606399 322340809 /nfs/dbraw/zinc/34/08/09/322340809.db2.gz WLRDYXJDOFYCQK-SECBINFHSA-N 1 0 257.761 2.770 20 70 CFIDRO CCc1cc(=O)[nH]c(C[N@@H+]2CCC[C@H]2Cc2ccccc2)n1 ZINC000160654527 322341287 /nfs/dbraw/zinc/34/12/87/322341287.db2.gz WAQZAGSUGANUEJ-INIZCTEOSA-N 1 0 297.402 2.952 20 70 CFIDRO Cc1c2ccccc2oc1CNC(=O)CC[NH2+]C(C)C ZINC000160817754 322343749 /nfs/dbraw/zinc/34/37/49/322343749.db2.gz GGNAOWREYLLMKR-UHFFFAOYSA-N 1 0 274.364 2.746 20 70 CFIDRO C[NH+](C)CC1CCC(NC(=O)NCC2(C3CC3)CC2)CC1 ZINC000160925718 322344633 /nfs/dbraw/zinc/34/46/33/322344633.db2.gz ZQWMMASAQVRWJE-UHFFFAOYSA-N 1 0 293.455 2.596 20 70 CFIDRO Cc1cnc(CNC(C)(C)C[N@H+](C)Cc2ccccc2)o1 ZINC000160928471 322344660 /nfs/dbraw/zinc/34/46/60/322344660.db2.gz FBJAEEIGPXBVLI-UHFFFAOYSA-N 1 0 287.407 2.983 20 70 CFIDRO C[C@@H]([NH2+]C[C@H]1CCc2ccccc21)c1cnccn1 ZINC000160973288 322345359 /nfs/dbraw/zinc/34/53/59/322345359.db2.gz WGKSUKLEADHCLC-TZMCWYRMSA-N 1 0 253.349 2.857 20 70 CFIDRO Cc1ccc(C[C@@H]([NH2+]CC(=O)NC(C)C)C(C)C)cc1 ZINC000160995032 322346050 /nfs/dbraw/zinc/34/60/50/322346050.db2.gz YLKWQKUYBNRERW-MRXNPFEDSA-N 1 0 276.424 2.676 20 70 CFIDRO FCCC[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000161028753 322346412 /nfs/dbraw/zinc/34/64/12/322346412.db2.gz BOTTVTUOBFSPRK-HNNXBMFYSA-N 1 0 250.361 2.600 20 70 CFIDRO CC(C)[C@@H]([NH3+])C(=O)Nc1cc(C2CCCCCC2)[nH]n1 ZINC000161071913 322347161 /nfs/dbraw/zinc/34/71/61/322347161.db2.gz PYQXBDFHTDBZHD-CQSZACIVSA-N 1 0 278.400 2.769 20 70 CFIDRO C[C@H]([NH2+]CCc1ccc2c(c1)OCO2)c1cncc(F)c1 ZINC000161140395 322348107 /nfs/dbraw/zinc/34/81/07/322348107.db2.gz CVCLURJXPADEJE-NSHDSACASA-N 1 0 288.322 2.843 20 70 CFIDRO CCc1ccc([C@H](C)[NH2+]CCCCS(C)(=O)=O)cc1 ZINC000161197734 322348800 /nfs/dbraw/zinc/34/88/00/322348800.db2.gz KEFFXOQRXDACIV-ZDUSSCGKSA-N 1 0 283.437 2.724 20 70 CFIDRO CS[C@@H](C)CC(=O)NCC[N@H+](C)C1CCCCC1 ZINC000161261397 322349504 /nfs/dbraw/zinc/34/95/04/322349504.db2.gz MCSIVJZNFKXJJJ-LBPRGKRZSA-N 1 0 272.458 2.509 20 70 CFIDRO Cc1c(C[N@@H+](CCc2nccs2)C(C)C)cnn1C ZINC000159956182 533844867 /nfs/dbraw/zinc/84/48/67/533844867.db2.gz IMWBWCZYJIGIDO-UHFFFAOYSA-N 1 0 278.425 2.638 20 70 CFIDRO CC(C)(C)c1ccc(CNC(=O)[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000161337307 519029250 /nfs/dbraw/zinc/02/92/50/519029250.db2.gz GVCHFFUWDBUBKJ-SFHVURJKSA-N 1 0 288.435 2.990 20 70 CFIDRO CC(C)C[C@H]1CCCCCN1C(=O)C[C@H]1CCC[NH2+]1 ZINC000159919727 519405958 /nfs/dbraw/zinc/40/59/58/519405958.db2.gz VBDCLWPUNKNGCX-HUUCEWRRSA-N 1 0 266.429 2.946 20 70 CFIDRO CC(C)CC[C@](C)(O)C[NH2+][C@@H](C)c1cncs1 ZINC000159365813 519695882 /nfs/dbraw/zinc/69/58/82/519695882.db2.gz MRGPMLHPNGRZGC-AAEUAGOBSA-N 1 0 256.415 2.981 20 70 CFIDRO CC(C)NC(=O)C[NH2+][C@H](C)c1cccc(-c2ccncc2)c1 ZINC000161005291 519708873 /nfs/dbraw/zinc/70/88/73/519708873.db2.gz QPDRMJXPRVXPSI-CQSZACIVSA-N 1 0 297.402 2.924 20 70 CFIDRO CC(C)[C@H](CO)[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000160335540 519816517 /nfs/dbraw/zinc/81/65/17/519816517.db2.gz LEIOFJIKXNKIQW-AWEZNQCLSA-N 1 0 278.783 2.995 20 70 CFIDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(OC)ccc2OC)C1(C)C ZINC000217893675 520368264 /nfs/dbraw/zinc/36/82/64/520368264.db2.gz NTRVHCLJYIFGES-HZPDHXFCSA-N 1 0 293.407 2.997 20 70 CFIDRO CC1(C)C[C@@H]([NH2+]CC[S@@](=O)c2ccccc2)C(C)(C)O1 ZINC000160787783 520525250 /nfs/dbraw/zinc/52/52/50/520525250.db2.gz JALFFFIYLOPXHO-VLIAUNLRSA-N 1 0 295.448 2.730 20 70 CFIDRO CC[NH+](CC)[C@H]1CCN(c2nc(C(C)(C)C)ns2)C1 ZINC000159754526 520875598 /nfs/dbraw/zinc/87/55/98/520875598.db2.gz LTDGHOLMGLKRCR-NSHDSACASA-N 1 0 282.457 2.756 20 70 CFIDRO CCOc1ccc(C[N@H+](C)[C@@H]2CCCC[C@@H]2O)cc1 ZINC000161074656 520964436 /nfs/dbraw/zinc/96/44/36/520964436.db2.gz GHWDOFKOVXGXIQ-CVEARBPZSA-N 1 0 263.381 2.821 20 70 CFIDRO CCCC[C@@H](COC)[NH2+]C[C@@H]1CC(=O)Nc2ccccc21 ZINC000160650153 521055114 /nfs/dbraw/zinc/05/51/14/521055114.db2.gz BRZOXPUJMIIGJW-KBPBESRZSA-N 1 0 290.407 2.907 20 70 CFIDRO [NH3+]C1(CNC(=O)c2cccc3c2CCC3)CCCCC1 ZINC000159473616 534547517 /nfs/dbraw/zinc/54/75/17/534547517.db2.gz BWIOQZBPHQAQHS-UHFFFAOYSA-N 1 0 272.392 2.567 20 70 CFIDRO CCOC(=O)c1cccnc1NCC1([NH+](C)C)CCCC1 ZINC000161040448 521558292 /nfs/dbraw/zinc/55/82/92/521558292.db2.gz WGOFTYLIRHQHQS-UHFFFAOYSA-N 1 0 291.395 2.545 20 70 CFIDRO CC[C@H](C)c1cc(C(=O)NC[C@H](C)C[NH+]2CCCC2)on1 ZINC000161078369 522030536 /nfs/dbraw/zinc/03/05/36/522030536.db2.gz OFHDRUSYYIJBFG-STQMWFEESA-N 1 0 293.411 2.650 20 70 CFIDRO CC[C@@H](C)c1cc(C(=O)NC2CC[NH+](C3CC3)CC2)on1 ZINC000159373131 522416974 /nfs/dbraw/zinc/41/69/74/522416974.db2.gz TYQWWLUNESIZDP-LLVKDONJSA-N 1 0 291.395 2.545 20 70 CFIDRO COC(C[NH+]1CCC(c2ccc(F)cc2)CC1)OC ZINC000161484047 522529059 /nfs/dbraw/zinc/52/90/59/522529059.db2.gz NFWTVHJWRWYSKY-UHFFFAOYSA-N 1 0 267.344 2.624 20 70 CFIDRO COC(C[N@@H+]1CC[C@H](c2ccccc2)[C@@H](C)C1)OC ZINC000161255322 522533935 /nfs/dbraw/zinc/53/39/35/522533935.db2.gz LCKNAHKVQZQYDN-ZFWWWQNUSA-N 1 0 263.381 2.731 20 70 CFIDRO CC[C@H]([NH2+]C[C@@H]1CC(=O)Nc2ccccc21)c1cnn(C)c1 ZINC000160536542 522614105 /nfs/dbraw/zinc/61/41/05/522614105.db2.gz FUEFRTSBQYOLSP-WFASDCNBSA-N 1 0 298.390 2.587 20 70 CFIDRO COC[C@H](C)[NH2+]CCCc1cn(-c2ccccc2)nc1C ZINC000160042254 522623072 /nfs/dbraw/zinc/62/30/72/522623072.db2.gz OCPDLHPFTQMKJJ-AWEZNQCLSA-N 1 0 287.407 2.738 20 70 CFIDRO COC[C@H]([NH2+][C@@H](CCCO)c1ccccc1)C(C)C ZINC000160849549 522762848 /nfs/dbraw/zinc/76/28/48/522762848.db2.gz CSNSQXFYAGECPS-HOTGVXAUSA-N 1 0 265.397 2.761 20 70 CFIDRO CC[C@@H]([NH2+]C[C@@H]1CC(=O)Nc2ccccc21)c1cnn(C)c1 ZINC000160536667 522854079 /nfs/dbraw/zinc/85/40/79/522854079.db2.gz FUEFRTSBQYOLSP-SWLSCSKDSA-N 1 0 298.390 2.587 20 70 CFIDRO CC[C@H]1CCC[N@@H+](C(C)(C)CN[C@@H](C)c2cnn(C)c2)C1 ZINC000161017401 523089179 /nfs/dbraw/zinc/08/91/79/523089179.db2.gz FCWBPRUTWPYIRH-GJZGRUSLSA-N 1 0 292.471 2.971 20 70 CFIDRO CC[C@@H]1C[N@H+](Cc2c(C)nc3ccccn32)CCS1 ZINC000160883707 523450356 /nfs/dbraw/zinc/45/03/56/523450356.db2.gz GKBAUUOHISBUPC-CYBMUJFWSA-N 1 0 275.421 2.970 20 70 CFIDRO C[N@H+](Cc1nc(-c2ccccc2)c[nH]1)C1CCOCC1 ZINC000160708474 523545214 /nfs/dbraw/zinc/54/52/14/523545214.db2.gz PXTZLUCHHYNAHJ-UHFFFAOYSA-N 1 0 271.364 2.688 20 70 CFIDRO COCC[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000161232757 523584515 /nfs/dbraw/zinc/58/45/15/523584515.db2.gz BVEJSKLWJKSOSL-UHFFFAOYSA-N 1 0 273.380 2.588 20 70 CFIDRO C[NH+]1CCC(Oc2ccc(NCc3ccccn3)cn2)CC1 ZINC000160153917 523782737 /nfs/dbraw/zinc/78/27/37/523782737.db2.gz KJXQEFMBWNAUIM-UHFFFAOYSA-N 1 0 298.390 2.562 20 70 CFIDRO COc1ccc(C[NH2+]C[C@@H]2CCC(C)(C)O2)cc1OC ZINC000160215637 524071765 /nfs/dbraw/zinc/07/17/65/524071765.db2.gz QXJVTVBKHLXJLR-ZDUSSCGKSA-N 1 0 279.380 2.751 20 70 CFIDRO C[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1cc2ccccc2o1 ZINC000160220573 524148073 /nfs/dbraw/zinc/14/80/73/524148073.db2.gz LCILLHOUBKSSNI-YUELXQCFSA-N 1 0 298.386 2.889 20 70 CFIDRO Cc1ccc(C)c(OCCC[NH+]2CCC(C)(O)CC2)c1 ZINC000161196068 524174641 /nfs/dbraw/zinc/17/46/41/524174641.db2.gz TXMIWPGKBIMJDO-UHFFFAOYSA-N 1 0 277.408 2.919 20 70 CFIDRO C[C@H]1CCC[C@H](C(=O)NCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC000160587387 524177034 /nfs/dbraw/zinc/17/70/34/524177034.db2.gz DDTYMFRWJHNQQV-KKUMJFAQSA-N 1 0 266.429 2.661 20 70 CFIDRO Cc1ccc(C[NH2+]C2CCN(Cc3cccnc3)CC2)cn1 ZINC000161324934 524573519 /nfs/dbraw/zinc/57/35/19/524573519.db2.gz WXGHPVQVEBVDEF-UHFFFAOYSA-N 1 0 296.418 2.539 20 70 CFIDRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(F)c(Cl)c1 ZINC000159561222 524645168 /nfs/dbraw/zinc/64/51/68/524645168.db2.gz UPZSIAWKMNDUHE-KOLCDFICSA-N 1 0 284.762 2.565 20 70 CFIDRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cccc(Cl)c1F ZINC000159675085 524645909 /nfs/dbraw/zinc/64/59/09/524645909.db2.gz NDXKTWWISKPUCK-KOLCDFICSA-N 1 0 284.762 2.565 20 70 CFIDRO C[C@@H]1CC[C@H](CC(=O)N2CCC([NH2+]CC3CC3)CC2)C1 ZINC000159826627 524660787 /nfs/dbraw/zinc/66/07/87/524660787.db2.gz RTFZOLJOBDJJTO-HIFRSBDPSA-N 1 0 278.440 2.803 20 70 CFIDRO COc1ccc([C@@H](C)[NH2+][C@H](CCO)CSC)cc1F ZINC000160218738 525163222 /nfs/dbraw/zinc/16/32/22/525163222.db2.gz LWYJXAHKJKWYOI-ZYHUDNBSSA-N 1 0 287.400 2.599 20 70 CFIDRO C[C@H]([NH2+]CC1(CO)CCCC1)c1ccc2c(c1)OCO2 ZINC000160094761 525318623 /nfs/dbraw/zinc/31/86/23/525318623.db2.gz QNTRAIVHHNGAOR-LBPRGKRZSA-N 1 0 277.364 2.619 20 70 CFIDRO C[C@H]([NH2+]CC1(c2ccc(F)cc2)CC1)[C@H]1CCOC1 ZINC000161352545 525323481 /nfs/dbraw/zinc/32/34/81/525323481.db2.gz WDMWLAMCVUTEGO-STQMWFEESA-N 1 0 263.356 2.872 20 70 CFIDRO C[C@H]([NH2+]CCCN1CCCC1=O)c1cc2c(s1)CCC2 ZINC000159529237 525336098 /nfs/dbraw/zinc/33/60/98/525336098.db2.gz BJTOGZDGASYASF-LBPRGKRZSA-N 1 0 292.448 2.900 20 70 CFIDRO C[C@H]([NH2+]Cc1cncc(Br)c1)C1CC1 ZINC000160561087 525476219 /nfs/dbraw/zinc/47/62/19/525476219.db2.gz KDOSIKYUSLVSBU-QMMMGPOBSA-N 1 0 255.159 2.732 20 70 CFIDRO C[C@@H]([NH2+]C[C@H](C1CCCCC1)N(C)C)C1CCOCC1 ZINC000160425331 525493482 /nfs/dbraw/zinc/49/34/82/525493482.db2.gz CYQPIGQAAMNVPD-RHSMWYFYSA-N 1 0 282.472 2.902 20 70 CFIDRO CSC[C@H](CCO)[NH2+][C@H]1CCc2ccc(C)cc21 ZINC000160326804 525702224 /nfs/dbraw/zinc/70/22/24/525702224.db2.gz JUOHWARRDXAZJX-ZFWWWQNUSA-N 1 0 265.422 2.686 20 70 CFIDRO Cc1ccc(C(=O)CC[N@@H+]2CCC[C@H]2C(C)(C)O)cc1 ZINC000160920759 526046341 /nfs/dbraw/zinc/04/63/41/526046341.db2.gz UXFWIJRTZOWTGH-INIZCTEOSA-N 1 0 275.392 2.803 20 70 CFIDRO c1ccc2oc(C3CC[NH+](Cc4cncnc4)CC3)nc2c1 ZINC000161047883 526520609 /nfs/dbraw/zinc/52/06/09/526520609.db2.gz PCIOXTRIZZVCPQ-UHFFFAOYSA-N 1 0 294.358 2.997 20 70 CFIDRO c1coc([C@@H]2CN(CCC[NH+]3CCCCC3)CCO2)c1 ZINC000161499421 526568967 /nfs/dbraw/zinc/56/89/67/526568967.db2.gz ULQJMEKYEHRBBY-INIZCTEOSA-N 1 0 278.396 2.529 20 70 CFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1C[C@H](C)CC[C@@H]1C(C)C)CC2 ZINC000160579920 527198036 /nfs/dbraw/zinc/19/80/36/527198036.db2.gz YGRXEUWFJVUXDQ-DTZQCDIJSA-N 1 0 290.455 2.952 20 70 CFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H]1CCCC[C@@H]1C(C)C)CC2 ZINC000160411996 527198044 /nfs/dbraw/zinc/19/80/44/527198044.db2.gz CFPKVAUUKLVPBR-KFWWJZLASA-N 1 0 276.428 2.706 20 70 CFIDRO [NH3+][C@H](C(=O)NC[C@@H]1CCc2ccccc21)c1ccccc1 ZINC000159730960 527380307 /nfs/dbraw/zinc/38/03/07/527380307.db2.gz HEARZBUMLJGJIU-RDJZCZTQSA-N 1 0 280.371 2.533 20 70 CFIDRO CC(C)CC1(CNC(=O)N(CC[NH+](C)C)C(C)C)CC1 ZINC000159586489 527692386 /nfs/dbraw/zinc/69/23/86/527692386.db2.gz CLULAUMBVMIZOQ-UHFFFAOYSA-N 1 0 283.460 2.794 20 70 CFIDRO CCC[N@H+](CC)CCNc1nc(C(C)(C)C)ns1 ZINC000159799544 527978715 /nfs/dbraw/zinc/97/87/15/527978715.db2.gz RCFHUBMWSOSATM-UHFFFAOYSA-N 1 0 270.446 2.979 20 70 CFIDRO CCCC(O)(CCC)CC(=O)NCCC1CC[NH+](C)CC1 ZINC000161094400 528006607 /nfs/dbraw/zinc/00/66/07/528006607.db2.gz VSDCTRKPVFDLGT-UHFFFAOYSA-N 1 0 298.471 2.556 20 70 CFIDRO CCOc1cc(C(=O)NCC2([NH3+])CCCCC2)ccc1C ZINC000159545634 528220714 /nfs/dbraw/zinc/22/07/14/528220714.db2.gz YTJDIRNOVHZQHQ-UHFFFAOYSA-N 1 0 290.407 2.785 20 70 CFIDRO CCOCCC[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000159459120 528658717 /nfs/dbraw/zinc/65/87/17/528658717.db2.gz RQOUBRHZYULNMK-UHFFFAOYSA-N 1 0 262.397 2.625 20 70 CFIDRO CCOCCC[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000159678023 528662362 /nfs/dbraw/zinc/66/23/62/528662362.db2.gz ZLPLBBKOUXGFQA-UHFFFAOYSA-N 1 0 282.815 2.889 20 70 CFIDRO CCOCCC[N@@H+]1CC[C@@H](c2ccc(OC)cc2)C1 ZINC000160034704 528665906 /nfs/dbraw/zinc/66/59/06/528665906.db2.gz HGJXRBNJRGINPP-OAHLLOKOSA-N 1 0 263.381 2.911 20 70 CFIDRO CC[C@@H]1CCC[C@H]1NC(=O)N(CC[NH+](C)C)C(C)C ZINC000159596783 529320717 /nfs/dbraw/zinc/32/07/17/529320717.db2.gz QJDQYFWSHDUCDD-ZIAGYGMSSA-N 1 0 269.433 2.547 20 70 CFIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cc(F)cc(F)c1)CC2 ZINC000160456742 282118362 /nfs/dbraw/zinc/11/83/62/282118362.db2.gz CIIWJYHUSVXHPK-OTYXRUKQSA-N 1 0 292.333 2.530 20 70 CFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(C)cc1)CC2 ZINC000160548039 282125421 /nfs/dbraw/zinc/12/54/21/282125421.db2.gz WIWBNOMEQAFQGQ-SWLSCSKDSA-N 1 0 270.380 2.561 20 70 CFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(C)cc1C)CC2 ZINC000160489592 282127227 /nfs/dbraw/zinc/12/72/27/282127227.db2.gz ZYZAXDOLXGWWNV-UKRRQHHQSA-N 1 0 284.407 2.869 20 70 CFIDRO C[NH2+]CCCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000160235734 290645666 /nfs/dbraw/zinc/64/56/66/290645666.db2.gz HCSHYFHZSHUFJW-RRFJBIMHSA-N 1 0 266.429 2.661 20 70 CFIDRO C[N@@H+]1CCC[C@@H]1CNC(=O)CC/C=C/c1ccccc1 ZINC000160126988 530057338 /nfs/dbraw/zinc/05/73/38/530057338.db2.gz USRFJUAUBPBLPX-ZWIJEDICSA-N 1 0 272.392 2.690 20 70 CFIDRO COc1ccc([C@H](C)[C@@H](C)[NH2+]CC(C)(C)O)cc1 ZINC000160629641 232249039 /nfs/dbraw/zinc/24/90/39/232249039.db2.gz GZZHSZHTEZYIFF-VXGBXAGGSA-N 1 0 251.370 2.548 20 70 CFIDRO CCc1ccc([C@H](C)CC(=O)NC[C@H]2CCC[N@@H+]2C)cc1 ZINC000160134297 348015884 /nfs/dbraw/zinc/01/58/84/348015884.db2.gz KPOKJBCSPOHBPX-RHSMWYFYSA-N 1 0 288.435 2.953 20 70 CFIDRO CCc1ccc([C@@H](C)CC(=O)NC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000160133867 348015952 /nfs/dbraw/zinc/01/59/52/348015952.db2.gz KPOKJBCSPOHBPX-YOEHRIQHSA-N 1 0 288.435 2.953 20 70 CFIDRO CCc1ccc([C@H](C)CC(=O)NCC[N@@H+](C)CC)cc1 ZINC000160148745 348016099 /nfs/dbraw/zinc/01/60/99/348016099.db2.gz ZGTJYWWAJDKHIM-CQSZACIVSA-N 1 0 276.424 2.811 20 70 CFIDRO CC[N@H+](CCNC(=O)[C@H](C)c1ccsc1)C(C)C ZINC000160178212 348016326 /nfs/dbraw/zinc/01/63/26/348016326.db2.gz RRIQOIINJFEHIL-GFCCVEGCSA-N 1 0 268.426 2.698 20 70 CFIDRO CC(C)[NH2+]CCC(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000160386732 348018219 /nfs/dbraw/zinc/01/82/19/348018219.db2.gz JKEMHKGMZBWCQI-HNNXBMFYSA-N 1 0 292.398 2.605 20 70 CFIDRO CC(C)CCN(C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)C1CC1 ZINC000160634526 348019076 /nfs/dbraw/zinc/01/90/76/348019076.db2.gz TZRJQBNERIKQAW-HNNXBMFYSA-N 1 0 293.455 2.691 20 70 CFIDRO CC[C@@H]1CCCCCN1C(=O)NCC[NH+](CC)CC ZINC000160843705 348021432 /nfs/dbraw/zinc/02/14/32/348021432.db2.gz OXLXTKUPNVFBFH-CQSZACIVSA-N 1 0 269.433 2.692 20 70 CFIDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N(C)[C@@H](C)C1CC1 ZINC000160977152 348022264 /nfs/dbraw/zinc/02/22/64/348022264.db2.gz RAHPWYLRXSDMDN-HOCLYGCPSA-N 1 0 295.471 2.937 20 70 CFIDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)[C@@H](C)C1CC1 ZINC000160977047 348022299 /nfs/dbraw/zinc/02/22/99/348022299.db2.gz RAHPWYLRXSDMDN-GOEBONIOSA-N 1 0 295.471 2.937 20 70 CFIDRO Cc1cccc(CSCC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000160931805 348022550 /nfs/dbraw/zinc/02/25/50/348022550.db2.gz RXLILQDWEGFLBU-LSDHHAIUSA-N 1 0 292.448 2.614 20 70 CFIDRO C[C@@H]1CN(C(=O)c2cc3ccc(F)cc3s2)C[C@@H](C)[NH2+]1 ZINC000161204192 539783454 /nfs/dbraw/zinc/78/34/54/539783454.db2.gz JUPPHOCBKIOPSO-NXEZZACHSA-N 1 0 292.379 2.863 20 70 CFIDRO CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccnc(C)c1Cl ZINC000159965707 539827276 /nfs/dbraw/zinc/82/72/76/539827276.db2.gz MKWNMUNMTFOYLN-SNVBAGLBSA-N 1 0 298.818 2.895 20 70 CFIDRO CCCCSCCC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000159751429 282882952 /nfs/dbraw/zinc/88/29/52/282882952.db2.gz KSPJZCRIVFBPIO-AWEZNQCLSA-N 1 0 286.485 2.900 20 70 CFIDRO C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)C[NH2+]CC2CC2)C1 ZINC000159434374 188425733 /nfs/dbraw/zinc/42/57/33/188425733.db2.gz IQLNWAGOJOJWKY-BLLLJJGKSA-N 1 0 290.382 2.735 20 70 CFIDRO O=C([C@@H]1CCC[NH2+]C1)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000159811943 188442966 /nfs/dbraw/zinc/44/29/66/188442966.db2.gz VGPJCTIKHFPVKK-ZIAGYGMSSA-N 1 0 292.810 2.656 20 70 CFIDRO CC[C@@H]([NH2+][C@@H]1CCc2nc(C)nn2C1)c1ccc(C)cc1 ZINC000160333366 188466420 /nfs/dbraw/zinc/46/64/20/188466420.db2.gz CRBKIAJGSUKAKZ-HZPDHXFCSA-N 1 0 284.407 2.951 20 70 CFIDRO CCC([NH3+])(CC)CNC(=O)C(C)(C)Cc1ccccc1 ZINC000160463349 188474351 /nfs/dbraw/zinc/47/43/51/188474351.db2.gz PNZUXPWWBFTXDL-UHFFFAOYSA-N 1 0 276.424 2.889 20 70 CFIDRO CCC([NH3+])(CC)CNC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000160465378 188474741 /nfs/dbraw/zinc/47/47/41/188474741.db2.gz RRGDYULBRSQRFW-QWRGUYRKSA-N 1 0 296.361 2.702 20 70 CFIDRO C[C@H](NC(=O)C[C@@H]1CCC[NH2+]1)c1ncc(-c2ccccc2)o1 ZINC000160479827 188475561 /nfs/dbraw/zinc/47/55/61/188475561.db2.gz SKNUYPIKLTUTER-JSGCOSHPSA-N 1 0 299.374 2.661 20 70 CFIDRO Cc1cc([C@@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)c(C)s1 ZINC000160332949 188466557 /nfs/dbraw/zinc/46/65/57/188466557.db2.gz FVRANQVEUGJKTC-MFKMUULPSA-N 1 0 290.436 2.930 20 70 CFIDRO CC[C@@H](NC(=O)[C@@H]1CC[C@H]([NH3+])C1)c1cc(F)ccc1F ZINC000160657191 188485021 /nfs/dbraw/zinc/48/50/21/188485021.db2.gz LOTDFYVYKMSTRE-OLUVUFQESA-N 1 0 282.334 2.660 20 70 CFIDRO NC(=O)c1c[nH+]ccc1N[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000160550495 188480337 /nfs/dbraw/zinc/48/03/37/188480337.db2.gz NJBHLVLQAGHWIN-XJKSGUPXSA-N 1 0 297.358 2.513 20 70 CFIDRO C[C@@H](CCC1CCCCC1)NC(=O)[C@H]1CCC[NH2+]C1 ZINC000160915789 188498553 /nfs/dbraw/zinc/49/85/53/188498553.db2.gz XFQIDMDIIQYVQH-ZFWWWQNUSA-N 1 0 266.429 2.851 20 70 CFIDRO CC[C@@H](COC)[NH2+]CC1(c2ccc(F)cc2)CC1 ZINC000161375723 188523799 /nfs/dbraw/zinc/52/37/99/188523799.db2.gz PXEQQBQATSNQFQ-AWEZNQCLSA-N 1 0 251.345 2.872 20 70 CFIDRO NC(=O)c1cccc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)c1 ZINC000159689930 283384102 /nfs/dbraw/zinc/38/41/02/283384102.db2.gz DBCMACJLLWFGOI-ZFWWWQNUSA-N 1 0 258.365 2.550 20 70 CFIDRO Cc1cn2c(C[NH2+]CC3(CO)CCCC3)c(C)nc2s1 ZINC000160102959 540542503 /nfs/dbraw/zinc/54/25/03/540542503.db2.gz UHXIMTZDTLYXAC-UHFFFAOYSA-N 1 0 293.436 2.655 20 70 CFIDRO CC(C)[NH2+]CCC(=O)Nc1ccc2c(c1)C(=O)CCC2 ZINC000159602415 540659194 /nfs/dbraw/zinc/65/91/94/540659194.db2.gz AHNXGFFLLBLOEY-UHFFFAOYSA-N 1 0 274.364 2.532 20 70 CFIDRO CC(C)(NC(=O)c1ccc(C[NH3+])o1)c1cccc(F)c1 ZINC000159643280 540660661 /nfs/dbraw/zinc/66/06/61/540660661.db2.gz VGQWUSBIYUORBK-UHFFFAOYSA-N 1 0 276.311 2.543 20 70 CFIDRO Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000159881293 540663724 /nfs/dbraw/zinc/66/37/24/540663724.db2.gz VEUFTBSOTSCNEU-SRABZTEZSA-N 1 0 286.419 2.827 20 70 CFIDRO CCCn1nccc1C[NH2+]CCc1ccc(OC)cc1 ZINC000159959200 540665875 /nfs/dbraw/zinc/66/58/75/540665875.db2.gz ASAMIERDKFEYHU-UHFFFAOYSA-N 1 0 273.380 2.634 20 70 CFIDRO CCCn1nccc1CNC[C@H](C(CC)CC)[NH+](C)C ZINC000159990738 540666900 /nfs/dbraw/zinc/66/69/00/540666900.db2.gz MMMYFJNTHLQHHN-MRXNPFEDSA-N 1 0 280.460 2.749 20 70 CFIDRO CC(C)[NH2+]CCC(=O)N1CCC[C@](C)(c2ccccc2)C1 ZINC000160103493 540668871 /nfs/dbraw/zinc/66/88/71/540668871.db2.gz VMHJQYKBKUHEBP-SFHVURJKSA-N 1 0 288.435 2.955 20 70 CFIDRO CC[C@@H](NC(=O)CC1([NH3+])CCC1)c1cc(F)ccc1F ZINC000160659764 540677090 /nfs/dbraw/zinc/67/70/90/540677090.db2.gz GWIPRJXWWNJMNI-CYBMUJFWSA-N 1 0 282.334 2.804 20 70 CFIDRO CSc1ccc(C)c(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000160881861 540682654 /nfs/dbraw/zinc/68/26/54/540682654.db2.gz LYBZZCHLAQJZQW-NEPJUHHUSA-N 1 0 278.421 2.717 20 70 CFIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000160966689 540684553 /nfs/dbraw/zinc/68/45/53/540684553.db2.gz SWUQHLTVTBPNKV-VHSXEESVSA-N 1 0 287.190 2.993 20 70 CFIDRO O=C(NC[C@H]1CCCC[NH2+]1)c1cc2ccc(F)cc2s1 ZINC000161198312 540690391 /nfs/dbraw/zinc/69/03/91/540690391.db2.gz RVAHFDGNWBWFJD-GFCCVEGCSA-N 1 0 292.379 2.912 20 70 CFIDRO O=C(NCC[C@@H]1CC[NH2+]C1)c1cc2ccc(F)cc2s1 ZINC000161203276 540690696 /nfs/dbraw/zinc/69/06/96/540690696.db2.gz XLWIWOZPZPWYGC-JTQLQIEISA-N 1 0 292.379 2.770 20 70 CFIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)CSc2ccccc2Cl)C1 ZINC000161373848 540692306 /nfs/dbraw/zinc/69/23/06/540692306.db2.gz XDALUXLJXKVPKX-MNOVXSKESA-N 1 0 298.839 2.818 20 70 CFIDRO Cc1ccc2cccc(C(=O)N[C@H]3CCC[C@H]([NH3+])C3)c2n1 ZINC000161409026 540692800 /nfs/dbraw/zinc/69/28/00/540692800.db2.gz XSDRWSABHOGIKE-KBPBESRZSA-N 1 0 283.375 2.543 20 70 CFIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)COc2ccc3ccccc3c2)C1 ZINC000161188634 540690756 /nfs/dbraw/zinc/69/07/56/540690756.db2.gz GEVHBDIBAQXVFD-CVEARBPZSA-N 1 0 298.386 2.605 20 70 CFIDRO CC(C)c1ccsc1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161291409 540691849 /nfs/dbraw/zinc/69/18/49/540691849.db2.gz CMJSVXMVESCXLW-QWRGUYRKSA-N 1 0 266.410 2.871 20 70 CFIDRO C[NH2+]C[C@H](C)C(=O)N1C[C@H](c2ccccc2C)C[C@@H]1C ZINC000159890946 283575780 /nfs/dbraw/zinc/57/57/80/283575780.db2.gz UXLOKTCATZBXHQ-SOUVJXGZSA-N 1 0 274.408 2.555 20 70 CFIDRO C[C@H]([NH2+][C@@H]1CCN(C(=O)C2CCCC2)C1)c1ccccn1 ZINC000159386387 540992043 /nfs/dbraw/zinc/99/20/43/540992043.db2.gz IJHOBHKXTZMPJI-DZGCQCFKSA-N 1 0 287.407 2.523 20 70 CFIDRO C[C@H](CC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccncc1 ZINC000160789724 541479591 /nfs/dbraw/zinc/47/95/91/541479591.db2.gz BEQPFTVOWOETFF-IIAWOOMASA-N 1 0 289.423 2.516 20 70 CFIDRO COc1ccc([C@H](C)[N@H+](C)CCCCS(C)(=O)=O)cc1 ZINC000161335043 541590330 /nfs/dbraw/zinc/59/03/30/541590330.db2.gz GUTJGSOEYBCQMT-ZDUSSCGKSA-N 1 0 299.436 2.513 20 70 CFIDRO COC[C@H]([NH2+]C[C@H](C)N1CCc2sccc2C1)C(C)C ZINC000159872649 378735670 /nfs/dbraw/zinc/73/56/70/378735670.db2.gz KMEQBAUXIDTFGK-ZFWWWQNUSA-N 1 0 296.480 2.755 20 70 CFIDRO CS[C@H](C)CC(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000160219498 378757204 /nfs/dbraw/zinc/75/72/04/378757204.db2.gz OXFRDQXGYOEBRJ-GFCCVEGCSA-N 1 0 296.436 2.707 20 70 CFIDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCc3occc32)cn1 ZINC000159979459 378740309 /nfs/dbraw/zinc/74/03/09/378740309.db2.gz IIHXWUOKTXUMQX-CQSZACIVSA-N 1 0 271.364 2.908 20 70 CFIDRO CCn1cc([C@H](C)[NH2+]C[C@@](C)(O)c2ccsc2)cn1 ZINC000160025049 378743563 /nfs/dbraw/zinc/74/35/63/378743563.db2.gz ZYDONWLHXUXNNI-SMDDNHRTSA-N 1 0 279.409 2.523 20 70 CFIDRO CCCC[C@@H](COC)[NH2+]C[C@@](C)(O)c1ccsc1 ZINC000160033789 378744117 /nfs/dbraw/zinc/74/41/17/378744117.db2.gz TXGQCONZJIEJSK-UONOGXRCSA-N 1 0 271.426 2.750 20 70 CFIDRO CCn1cc([C@H](C)[NH2+]Cc2ccc(OC(C)C)nc2)cn1 ZINC000160035969 378744985 /nfs/dbraw/zinc/74/49/85/378744985.db2.gz VPKLIPCLHWVSNY-ZDUSSCGKSA-N 1 0 288.395 2.936 20 70 CFIDRO COc1ccc2sc(C(=O)NCC(C)(C)[NH3+])c(C)c2c1 ZINC000160048246 378745077 /nfs/dbraw/zinc/74/50/77/378745077.db2.gz QEMNZIGKIGXDTA-UHFFFAOYSA-N 1 0 292.404 2.685 20 70 CFIDRO CN(Cc1cc(-c2ccccc2)no1)[C@H](C[NH3+])C1CC1 ZINC000160158598 378751824 /nfs/dbraw/zinc/75/18/24/378751824.db2.gz JMVSHUVAZGAEOV-MRXNPFEDSA-N 1 0 271.364 2.511 20 70 CFIDRO O=C(C[NH2+]CC1CC1)N1CC2(CCCC2)c2ccccc21 ZINC000159368834 378704999 /nfs/dbraw/zinc/70/49/99/378704999.db2.gz GHCGZNQKZHVLJF-UHFFFAOYSA-N 1 0 284.403 2.845 20 70 CFIDRO CCSCC[C@@H](C)NC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000160209666 378755100 /nfs/dbraw/zinc/75/51/00/378755100.db2.gz KEROTBBKYBRURU-IUODEOHRSA-N 1 0 280.437 2.508 20 70 CFIDRO O=C(c1ccccc1CCc1ccccc1)N1CC[NH2+]CC1 ZINC000159410189 378707502 /nfs/dbraw/zinc/70/75/02/378707502.db2.gz DTROOHNDTKHMMQ-UHFFFAOYSA-N 1 0 294.398 2.517 20 70 CFIDRO CC(C)[C@H](C(=O)N1CC[NH2+]CC1)c1cccc(Cl)c1 ZINC000159393857 378707774 /nfs/dbraw/zinc/70/77/74/378707774.db2.gz ZGMHOTXMXNKUGK-AWEZNQCLSA-N 1 0 280.799 2.511 20 70 CFIDRO CC[N@H+](CCc1nccs1)CCc1ccncc1 ZINC000159431524 378708859 /nfs/dbraw/zinc/70/88/59/378708859.db2.gz ZPFKOVTZOQWIGX-UHFFFAOYSA-N 1 0 261.394 2.645 20 70 CFIDRO Cc1cc(C(=O)NCC2([NH3+])CCCCC2)c(F)cc1F ZINC000159479813 378712022 /nfs/dbraw/zinc/71/20/22/378712022.db2.gz QPONNXWJBJMRSC-UHFFFAOYSA-N 1 0 282.334 2.665 20 70 CFIDRO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)O ZINC000159559038 378716679 /nfs/dbraw/zinc/71/66/79/378716679.db2.gz QPRYSSYHEOPGMT-KGLIPLIRSA-N 1 0 292.423 2.758 20 70 CFIDRO C[C@@H](C(=O)NCC[NH2+]C1CCCCCC1)c1cccnc1 ZINC000159638353 378721756 /nfs/dbraw/zinc/72/17/56/378721756.db2.gz RBBOBCDEQNIPSC-CQSZACIVSA-N 1 0 289.423 2.614 20 70 CFIDRO Cc1nnc(N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000160214495 378756185 /nfs/dbraw/zinc/75/61/85/378756185.db2.gz BOVKWURUPULDSO-FZMZJTMJSA-N 1 0 288.420 2.779 20 70 CFIDRO CCC[C@@H]([NH3+])C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000159721685 378726071 /nfs/dbraw/zinc/72/60/71/378726071.db2.gz MFVHNVDHLDAEBG-RBSFLKMASA-N 1 0 260.381 2.566 20 70 CFIDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N2CCCC2)c(C)c1 ZINC000159728875 378727983 /nfs/dbraw/zinc/72/79/83/378727983.db2.gz GREHKWPMUCTKOT-GJZGRUSLSA-N 1 0 274.408 2.965 20 70 CFIDRO C[C@@H]([NH2+][C@H](CC(N)=O)C1CCCCC1)c1ccccn1 ZINC000159752044 378729014 /nfs/dbraw/zinc/72/90/14/378729014.db2.gz KZDKMIQYLKWEBO-IUODEOHRSA-N 1 0 275.396 2.557 20 70 CFIDRO Cc1ccccc1[C@@H](C)[NH2+]CCCNC(=O)C1CCC1 ZINC000159760223 378729141 /nfs/dbraw/zinc/72/91/41/378729141.db2.gz VNOFIPDBKIQHOA-CQSZACIVSA-N 1 0 274.408 2.952 20 70 CFIDRO C[NH2+]CC(=O)N1CCC[C@@H](C)[C@@H]1c1ccc(C)cc1 ZINC000159780675 378730379 /nfs/dbraw/zinc/73/03/79/378730379.db2.gz HSQZOOOXOMQNBE-CZUORRHYSA-N 1 0 260.381 2.514 20 70 CFIDRO c1cn(CC[N@@H+]2CCSC[C@@H]2c2ccccc2)cn1 ZINC000159829878 378731341 /nfs/dbraw/zinc/73/13/41/378731341.db2.gz ITGMPQVHSUEZHE-OAHLLOKOSA-N 1 0 273.405 2.673 20 70 CFIDRO O=C([C@@H]1CCCC[NH2+]1)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000159805817 378731594 /nfs/dbraw/zinc/73/15/94/378731594.db2.gz JCUCUVITYKVDOO-ZFWWWQNUSA-N 1 0 292.810 2.798 20 70 CFIDRO c1cn(CC[N@@H+]2CCSC[C@H]2c2ccccc2)cn1 ZINC000159829761 378732137 /nfs/dbraw/zinc/73/21/37/378732137.db2.gz ITGMPQVHSUEZHE-HNNXBMFYSA-N 1 0 273.405 2.673 20 70 CFIDRO Fc1ccc(C[N@H+](CCn2ccnc2)CC2CC2)cc1 ZINC000159830184 378734413 /nfs/dbraw/zinc/73/44/13/378734413.db2.gz WGTIYIZGNBMKCS-UHFFFAOYSA-N 1 0 273.355 2.934 20 70 CFIDRO CCc1nnc(CN[C@@H](CC)c2ccc(OC)cc2)[nH]1 ZINC000160274969 378761068 /nfs/dbraw/zinc/76/10/68/378761068.db2.gz RSCXAESKEUSTMX-ZDUSSCGKSA-N 1 0 274.368 2.617 20 70 CFIDRO O=C(C[C@@H]1CCC[NH2+]1)Nc1ccccc1CC(F)(F)F ZINC000160800051 378800297 /nfs/dbraw/zinc/80/02/97/378800297.db2.gz ACVJADNZHAGXNN-NSHDSACASA-N 1 0 286.297 2.872 20 70 CFIDRO CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]CC(C)(C)O ZINC000160604960 378785804 /nfs/dbraw/zinc/78/58/04/378785804.db2.gz JTWIHAFMRPYBLY-CYBMUJFWSA-N 1 0 292.423 2.888 20 70 CFIDRO Cc1cccc(C)c1CC[NH2+][C@H](C(N)=O)c1ccccc1 ZINC000160615528 378786541 /nfs/dbraw/zinc/78/65/41/378786541.db2.gz BTQVEWLUHUKDOO-KRWDZBQOSA-N 1 0 282.387 2.662 20 70 CFIDRO COc1cc(OC)c([C@H](C)[NH2+]CC(C)(C)O)cc1Cl ZINC000160642572 378788482 /nfs/dbraw/zinc/78/84/82/378788482.db2.gz NOKIFWDSZIBCGF-VIFPVBQESA-N 1 0 287.787 2.779 20 70 CFIDRO COc1ccc(Cl)cc1[C@H](C)[NH2+]CC(C)(C)O ZINC000160643649 378788499 /nfs/dbraw/zinc/78/84/99/378788499.db2.gz JVHQBCRUAMRADV-VIFPVBQESA-N 1 0 257.761 2.770 20 70 CFIDRO CC[C@]1(C)CCCN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000160776836 378798834 /nfs/dbraw/zinc/79/88/34/378798834.db2.gz KMJCUJAUJFNLGP-SJLPKXTDSA-N 1 0 286.419 2.740 20 70 CFIDRO CCn1ncc2ccc(NC(=O)C(CC)(CC)C[NH3+])cc21 ZINC000161195568 378829188 /nfs/dbraw/zinc/82/91/88/378829188.db2.gz OQXDMCXWVLFIDT-UHFFFAOYSA-N 1 0 288.395 2.760 20 70 CFIDRO Cc1cc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)ccc1OC(C)C ZINC000160903292 378807681 /nfs/dbraw/zinc/80/76/81/378807681.db2.gz GXWWLECUFNRQQP-CHWSQXEVSA-N 1 0 276.380 2.848 20 70 CFIDRO C[C@H]1C[C@@H](Nc2cnccn2)C[N@@H+]1Cc1ccccc1 ZINC000160930840 378809245 /nfs/dbraw/zinc/80/92/45/378809245.db2.gz MSQYLGMPNVDXRE-DZGCQCFKSA-N 1 0 268.364 2.552 20 70 CFIDRO CC(C)NC(=O)C[NH2+][C@@H]1c2cccc(F)c2CC[C@H]1C ZINC000160914948 378809685 /nfs/dbraw/zinc/80/96/85/378809685.db2.gz FCUCKEVGLNOIOF-BZNIZROVSA-N 1 0 278.371 2.563 20 70 CFIDRO CC[C@H](C)OCC(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000160942561 378810905 /nfs/dbraw/zinc/81/09/05/378810905.db2.gz RNPWXBTWHJTDGC-ZDUSSCGKSA-N 1 0 278.396 2.810 20 70 CFIDRO CSc1ccc([C@H](C)[NH2+]CC(=O)NC(C)C)cc1F ZINC000160936032 378811790 /nfs/dbraw/zinc/81/17/90/378811790.db2.gz UNZKKHCZOGMCEV-JTQLQIEISA-N 1 0 284.400 2.723 20 70 CFIDRO Cc1ccc(C[NH2+][C@H](C)c2ccc(-n3cnnn3)cc2)s1 ZINC000160944251 378811920 /nfs/dbraw/zinc/81/19/20/378811920.db2.gz DKCKBPNVMYYLKR-GFCCVEGCSA-N 1 0 299.403 2.883 20 70 CFIDRO CCc1cc(=O)[nH]c(C[N@H+](C)CCc2ccc(F)cc2)n1 ZINC000160982757 378813096 /nfs/dbraw/zinc/81/30/96/378813096.db2.gz ARLSOXGYYZRNEY-UHFFFAOYSA-N 1 0 289.354 2.558 20 70 CFIDRO CCC[C@H]([NH3+])C(=O)N[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000161054951 378818202 /nfs/dbraw/zinc/81/82/02/378818202.db2.gz TYMSFHKSOZJNNX-PMPSAXMXSA-N 1 0 274.408 2.641 20 70 CFIDRO CCC[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccc(F)cc1Cl ZINC000161152064 378826311 /nfs/dbraw/zinc/82/63/11/378826311.db2.gz QCLUMPYVQIRWJI-QPUJVOFHSA-N 1 0 272.751 2.784 20 70 CFIDRO COc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cnn(C)c1C ZINC000161312919 378839367 /nfs/dbraw/zinc/83/93/67/378839367.db2.gz NEDBEJVXFLZOEV-QGZVFWFLSA-N 1 0 285.391 2.904 20 70 CFIDRO c1cc([C@@H]2CN(CCC[NH+]3CCCCC3)CCO2)cs1 ZINC000161409430 378844425 /nfs/dbraw/zinc/84/44/25/378844425.db2.gz JYAURKUHHIRSRC-INIZCTEOSA-N 1 0 294.464 2.997 20 70 CFIDRO CC[C@@H](Cc1ccccc1)N(CC)C(=O)C[C@H]1CCC[NH2+]1 ZINC000161437019 378846320 /nfs/dbraw/zinc/84/63/20/378846320.db2.gz ZKLBCSDNXTVLGI-SJORKVTESA-N 1 0 288.435 2.998 20 70 CFIDRO CCOCC[NH2+][C@@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000161471470 378849251 /nfs/dbraw/zinc/84/92/51/378849251.db2.gz SIVOKZJKFQTGTP-MRXNPFEDSA-N 1 0 279.380 2.781 20 70 CFIDRO CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCC[C@H](CC(C)C)C1 ZINC000161475350 378849670 /nfs/dbraw/zinc/84/96/70/378849670.db2.gz MTDGSVGVFGHMTQ-BFHYXJOUSA-N 1 0 254.418 2.645 20 70 CFIDRO C[C@H](C[NH2+][C@@H](C)c1cnn(C)c1)COCc1ccccc1 ZINC000161299435 378837314 /nfs/dbraw/zinc/83/73/14/378837314.db2.gz FZBSKHREYHZCCD-CABCVRRESA-N 1 0 287.407 2.924 20 70 CFIDRO C[C@H]1CCC[C@H](C(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000159370451 322321680 /nfs/dbraw/zinc/32/16/80/322321680.db2.gz YJQQMHMAVRSMOJ-STQMWFEESA-N 1 0 264.413 2.556 20 70 CFIDRO C[N@@H+]1CC[C@@H](CNC(=O)C[C@H]2CCCCC2(C)C)C1 ZINC000160101218 322332895 /nfs/dbraw/zinc/33/28/95/322332895.db2.gz UAENLXUOGYQNPS-UONOGXRCSA-N 1 0 266.429 2.661 20 70 CFIDRO C[N@@H+]1CC[C@H](CNC(=O)CC2CCC(C)(C)CC2)C1 ZINC000160107187 322333186 /nfs/dbraw/zinc/33/31/86/322333186.db2.gz RJRPEPVHYDWBMH-CQSZACIVSA-N 1 0 266.429 2.661 20 70 CFIDRO C[C@H]([NH2+]CC12CC3CC(CC(C3)C1)C2)c1nncn1C ZINC000216824502 382784777 /nfs/dbraw/zinc/78/47/77/382784777.db2.gz BMDXFFPPHPSLQO-IKMFHRHGSA-N 1 0 274.412 2.682 20 70 CFIDRO CC[C@H](C)[N@H+](C)CCNc1ncnc2sccc21 ZINC000217367520 382786229 /nfs/dbraw/zinc/78/62/29/382786229.db2.gz QGXFNIYPCJCZQW-JTQLQIEISA-N 1 0 264.398 2.834 20 70 CFIDRO CC[C@H](C)[N@H+](C)CCNCc1ccc(OC)c(OC)c1 ZINC000217383253 382786541 /nfs/dbraw/zinc/78/65/41/382786541.db2.gz SKZSUSZYCAOSBJ-ZDUSSCGKSA-N 1 0 280.412 2.524 20 70 CFIDRO CSC[C@@](C)(O)C[NH2+]Cc1ccc(OC(C)C)cc1 ZINC000217866074 382788047 /nfs/dbraw/zinc/78/80/47/382788047.db2.gz BJYOVZWVZUIAAH-HNNXBMFYSA-N 1 0 283.437 2.677 20 70 CFIDRO CC[N@@H+](Cc1ccncc1)C[C@@H](O)c1ccccc1F ZINC000218153457 382789282 /nfs/dbraw/zinc/78/92/82/382789282.db2.gz XCBJZKAIOAEHDR-MRXNPFEDSA-N 1 0 274.339 2.776 20 70 CFIDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cc(Cl)ccc1O ZINC000217405475 393756680 /nfs/dbraw/zinc/75/66/80/393756680.db2.gz XZJZSHLUNYYUPC-JTQLQIEISA-N 1 0 284.787 2.506 20 70 CFIDRO Cc1cc(C)cc([C@H](C)[NH2+]CC(=O)NCC(F)(F)F)c1 ZINC000160519505 394366470 /nfs/dbraw/zinc/36/64/70/394366470.db2.gz QCLSMAXFFMKMKU-NSHDSACASA-N 1 0 288.313 2.633 20 70 CFIDRO CCCC[C@H](COC)[NH2+]C[C@H]1CCCCN1CC ZINC000161191679 394367116 /nfs/dbraw/zinc/36/71/16/394367116.db2.gz OQSMVPSYARJZIQ-HUUCEWRRSA-N 1 0 256.434 2.656 20 70 CFIDRO CCCC[C@H](COC)[NH2+]C[C@@H]1CCCCN1CC ZINC000161191451 394367213 /nfs/dbraw/zinc/36/72/13/394367213.db2.gz OQSMVPSYARJZIQ-CABCVRRESA-N 1 0 256.434 2.656 20 70 CFIDRO CC(C)(C)NC(=O)N1CCC[C@H]([NH2+]Cc2ccccc2)C1 ZINC000161101052 394367274 /nfs/dbraw/zinc/36/72/74/394367274.db2.gz ATYACOUOFSOYNX-HNNXBMFYSA-N 1 0 289.423 2.749 20 70 CFIDRO CCO[C@@H]1C[C@H](NC(=O)C(CC)(CC)C[NH3+])C12CCCC2 ZINC000161235458 286341338 /nfs/dbraw/zinc/34/13/38/286341338.db2.gz CPOPBVSPAWYIAW-UONOGXRCSA-N 1 0 296.455 2.606 20 70 CFIDRO CSC[C@H](CCO)[NH2+][C@@H]1c2ccccc2C[C@@H]1C ZINC000160236744 286681563 /nfs/dbraw/zinc/68/15/63/286681563.db2.gz BYYRBPVKTXEXHP-WHOFXGATSA-N 1 0 265.422 2.624 20 70 CFIDRO CCc1ccc([C@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)cc1 ZINC000160332578 273770587 /nfs/dbraw/zinc/77/05/87/273770587.db2.gz ZIPOWMFLYRODMU-LRDDRELGSA-N 1 0 284.407 2.815 20 70 CFIDRO CC(C)C[C@H]1CCN(C(=O)C2([NH3+])CCCCC2)C1 ZINC000159613212 275919154 /nfs/dbraw/zinc/91/91/54/275919154.db2.gz OBQBFGVLDFNTME-CYBMUJFWSA-N 1 0 252.402 2.543 20 70 CFIDRO CC[C@H](NC1CC[NH+](C2CCCC2)CC1)c1cnn(C)c1 ZINC000160459751 276583545 /nfs/dbraw/zinc/58/35/45/276583545.db2.gz UTMUXWSJKAETQO-KRWDZBQOSA-N 1 0 290.455 2.868 20 70 CFIDRO CC[N@@H+]1CCCN(C(=O)NC2CCC(C)(C)CC2)CC1 ZINC000159902218 279284755 /nfs/dbraw/zinc/28/47/55/279284755.db2.gz ORMQEBLBJSRSPC-UHFFFAOYSA-N 1 0 281.444 2.692 20 70 CFIDRO C[C@H](C[NH2+][C@@H](C)c1cnn(C)c1)N(C)Cc1ccccc1 ZINC000160866323 279348358 /nfs/dbraw/zinc/34/83/58/279348358.db2.gz WMGHNYFKUHKADC-CABCVRRESA-N 1 0 286.423 2.591 20 70 CFIDRO CC(C)[C@@H](CC1CCCCC1)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000160275383 279828544 /nfs/dbraw/zinc/82/85/44/279828544.db2.gz QBJXBBGCNAQUSM-HUUCEWRRSA-N 1 0 266.429 2.789 20 70 CFIDRO Cc1c(C[NH2+][C@H]2CCc3cc(F)ccc32)cnn1C ZINC000161216884 280227727 /nfs/dbraw/zinc/22/77/27/280227727.db2.gz ZNSCQACWPFYHFQ-HNNXBMFYSA-N 1 0 259.328 2.645 20 70 CFIDRO CC[C@H](NCC1([NH+]2CCCCC2)CCCCC1)C(=O)OC ZINC000159478075 280933507 /nfs/dbraw/zinc/93/35/07/280933507.db2.gz HNSCMTXHEXTQIW-HNNXBMFYSA-N 1 0 296.455 2.716 20 70 CFIDRO CN(C)C1(C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)CCCC1 ZINC000160687360 282045083 /nfs/dbraw/zinc/04/50/83/282045083.db2.gz SEODJEKYBDVQNG-KFWWJZLASA-N 1 0 280.456 2.654 20 70 CFIDRO C[C@H]([NH3+])C1CCN(C(=O)C2C3CC4CC(C3)CC2C4)CC1 ZINC000160198064 298948754 /nfs/dbraw/zinc/94/87/54/298948754.db2.gz NIYYJHUVNXHEMT-WQPVAANYSA-N 1 0 290.451 2.645 20 70 CFIDRO C[C@@H](N[C@@H](C(N)=O)c1ccccc1)c1cccc(F)c1F ZINC000159469328 322322705 /nfs/dbraw/zinc/32/27/05/322322705.db2.gz WARAQALRVKPGON-MEBBXXQBSA-N 1 0 290.313 2.842 20 70 CFIDRO COc1ccc(C)cc1C[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159458728 322323168 /nfs/dbraw/zinc/32/31/68/322323168.db2.gz QXXJZDRJRWCXOM-ZFWWWQNUSA-N 1 0 263.381 2.596 20 70 CFIDRO CC(C)=CCC[C@@H](C)[NH2+]CCCN1CCCC1=O ZINC000159497272 322323342 /nfs/dbraw/zinc/32/33/42/322323342.db2.gz DYPPUJHKQCDOEZ-CQSZACIVSA-N 1 0 252.402 2.723 20 70 CFIDRO CSc1ccc(OCC[N@H+](C)C[C@H]2CCC[C@@H]2O)cc1 ZINC000159540489 322324238 /nfs/dbraw/zinc/32/42/38/322324238.db2.gz VBQIVEABFXYPEV-CJNGLKHVSA-N 1 0 295.448 2.880 20 70 CFIDRO C[N@H+](CCCOc1ccc(F)cc1)C[C@H]1CCC[C@@H]1O ZINC000159563430 322324573 /nfs/dbraw/zinc/32/45/73/322324573.db2.gz ISANLMGYDQBRMS-CJNGLKHVSA-N 1 0 281.371 2.687 20 70 CFIDRO CC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CC(C)(CO)CO ZINC000159575241 322324614 /nfs/dbraw/zinc/32/46/14/322324614.db2.gz MEUDHODBVZFVHM-AWEZNQCLSA-N 1 0 285.815 2.714 20 70 CFIDRO COc1cccc([C@H](CNC(=O)C2=CCCC2)[NH+](C)C)c1 ZINC000159649128 322325538 /nfs/dbraw/zinc/32/55/38/322325538.db2.gz QLBMVDLZERXARA-INIZCTEOSA-N 1 0 288.391 2.524 20 70 CFIDRO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]21)NCc1ccc(F)cc1 ZINC000159669231 322326343 /nfs/dbraw/zinc/32/63/43/322326343.db2.gz CHGJMUQRSSFDAU-HOCLYGCPSA-N 1 0 290.382 2.706 20 70 CFIDRO CCCCCNC(=O)C[N@H+](CCc1nccs1)C(C)C ZINC000159923211 322330228 /nfs/dbraw/zinc/33/02/28/322330228.db2.gz CJKYXEYHQXFUMT-UHFFFAOYSA-N 1 0 297.468 2.702 20 70 CFIDRO CC(C)C(=O)NCCC[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000159974752 322330886 /nfs/dbraw/zinc/33/08/86/322330886.db2.gz SJUBSMYMJRBACU-NSHDSACASA-N 1 0 284.350 2.778 20 70 CFIDRO CC(C)C(=O)NCCC[NH2+][C@@H]1CCCc2ccccc21 ZINC000159971418 322330927 /nfs/dbraw/zinc/33/09/27/322330927.db2.gz RZSXJQHDZOFDEL-MRXNPFEDSA-N 1 0 274.408 2.816 20 70 CFIDRO CC(C)C(=O)NCCC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000159981235 322331139 /nfs/dbraw/zinc/33/11/39/322331139.db2.gz NJBAEUCFDJLPGL-LBPRGKRZSA-N 1 0 266.360 2.639 20 70 CFIDRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160121014 322333113 /nfs/dbraw/zinc/33/31/13/322333113.db2.gz NJYCCBAXJLPHOV-CYBMUJFWSA-N 1 0 268.401 2.872 20 70 CFIDRO CC[N@H+](CCNC(=O)[C@H](C)c1cccs1)C(C)C ZINC000160177764 322334150 /nfs/dbraw/zinc/33/41/50/322334150.db2.gz MHBJSONDCHMVHQ-GFCCVEGCSA-N 1 0 268.426 2.698 20 70 CFIDRO CC[C@H](COC)[NH2+]C[C@@H](CC)Oc1ccccc1F ZINC000160334975 322336190 /nfs/dbraw/zinc/33/61/90/322336190.db2.gz WFGJNLSADLUECE-CHWSQXEVSA-N 1 0 269.360 2.998 20 70 CFIDRO Cc1nc2ccccn2c1C[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000160815262 322343340 /nfs/dbraw/zinc/34/33/40/322343340.db2.gz NNZBKZKAGJBPPE-VXGBXAGGSA-N 1 0 275.421 2.969 20 70 CFIDRO CC[NH+](CC)[C@H]1CCN(Cc2c(C)nc3ccccn32)C1 ZINC000160876970 322344272 /nfs/dbraw/zinc/34/42/72/322344272.db2.gz QDFDEXDYRRBPFP-HNNXBMFYSA-N 1 0 286.423 2.559 20 70 CFIDRO CC(C)C[C@@H](C)NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000160921194 322344673 /nfs/dbraw/zinc/34/46/73/322344673.db2.gz QKULYHNBKVXFMA-WLYUNCDWSA-N 1 0 283.460 2.841 20 70 CFIDRO CC(C)[NH2+]CCC(=O)N[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000161054309 322346460 /nfs/dbraw/zinc/34/64/60/322346460.db2.gz UHJOHTOMBVQBMD-SJORKVTESA-N 1 0 288.435 2.902 20 70 CFIDRO CCC[N@H+](CCO)Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000161212835 322348890 /nfs/dbraw/zinc/34/88/90/322348890.db2.gz DURIEPLYJZQHMB-UHFFFAOYSA-N 1 0 293.798 2.934 20 70 CFIDRO CCC[N@H+](CCO)Cc1cccc2c1OC(C)(C)C2 ZINC000161210974 322348907 /nfs/dbraw/zinc/34/89/07/322348907.db2.gz SGWZRGFZJPVLAG-UHFFFAOYSA-N 1 0 263.381 2.604 20 70 CFIDRO C[C@H]([NH2+]C1CCN(C)CC1)c1cc2c(s1)CCC2 ZINC000161480954 322352436 /nfs/dbraw/zinc/35/24/36/322352436.db2.gz PMVSVXGKFYYRDX-NSHDSACASA-N 1 0 264.438 2.982 20 70 CFIDRO CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)CCCCCC[NH3+] ZINC000159665638 518952679 /nfs/dbraw/zinc/95/26/79/518952679.db2.gz LUOFDYQWSZKDIL-GOEBONIOSA-N 1 0 298.471 2.853 20 70 CFIDRO CCCNC(=O)[C@@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC000159875160 519890069 /nfs/dbraw/zinc/89/00/69/519890069.db2.gz ZJXUMYHREAKWPM-OAHLLOKOSA-N 1 0 266.429 2.805 20 70 CFIDRO CC[N@H+](C)C[C@H]1CCN(c2nc(C(C)(C)C)ns2)C1 ZINC000159758263 520259158 /nfs/dbraw/zinc/25/91/58/520259158.db2.gz KDZBYXGOZUWVHI-LLVKDONJSA-N 1 0 282.457 2.614 20 70 CFIDRO CCCC[C@H](COC)[NH2+]C[C@@H]1CC(=O)Nc2ccccc21 ZINC000160650304 521197768 /nfs/dbraw/zinc/19/77/68/521197768.db2.gz BRZOXPUJMIIGJW-UONOGXRCSA-N 1 0 290.407 2.907 20 70 CFIDRO CCC(CC)(C[NH2+]C1C[C@@H](C)O[C@H](C)C1)C(=O)OC ZINC000161257332 521439144 /nfs/dbraw/zinc/43/91/44/521439144.db2.gz NVTDFTJKUQTOKU-VXGBXAGGSA-N 1 0 271.401 2.511 20 70 CFIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](C)CCC(C)C)CC1 ZINC000159514554 521610223 /nfs/dbraw/zinc/61/02/23/521610223.db2.gz LAVXDAIMJLUBGY-CQSZACIVSA-N 1 0 269.433 2.548 20 70 CFIDRO CCc1nc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cs1 ZINC000159527643 522351712 /nfs/dbraw/zinc/35/17/12/522351712.db2.gz IRASPTVATSFLLS-YUTCNCBUSA-N 1 0 278.421 2.753 20 70 CFIDRO COC(C[NH+]1CCC(c2nc3ccccc3o2)CC1)OC ZINC000160508142 522530828 /nfs/dbraw/zinc/53/08/28/522530828.db2.gz AHGHCZKMZRWJTO-UHFFFAOYSA-N 1 0 290.363 2.626 20 70 CFIDRO CC[C@@H](COC)[NH2+]C[C@H](C1CCCCC1)N(C)C ZINC000160418600 522595721 /nfs/dbraw/zinc/59/57/21/522595721.db2.gz AESASXQHYYRRCG-LSDHHAIUSA-N 1 0 256.434 2.512 20 70 CFIDRO CC[C@H]([NH2+]Cc1ccc(OC(C)C)nc1)[C@H]1CCOC1 ZINC000160089007 522648766 /nfs/dbraw/zinc/64/87/66/522648766.db2.gz ZIPRFVNAKRKMHL-GJZGRUSLSA-N 1 0 278.396 2.774 20 70 CFIDRO CC[C@@H](NC(=O)N1CCC[N@H+](CC)CC1)c1cccs1 ZINC000159722236 522709433 /nfs/dbraw/zinc/70/94/33/522709433.db2.gz FPHLMIAGAMKWMJ-CYBMUJFWSA-N 1 0 295.452 2.936 20 70 CFIDRO COC[C@H]([NH2+]C[C@H](C)N(C)Cc1ccccc1)C(C)C ZINC000160882540 522741339 /nfs/dbraw/zinc/74/13/39/522741339.db2.gz QJSAVUFUPCJMRU-RDJZCZTQSA-N 1 0 278.440 2.768 20 70 CFIDRO CC[C@H]([NH2+][C@H](CCO)CSC)c1ccccc1OC ZINC000160375394 522743531 /nfs/dbraw/zinc/74/35/31/522743531.db2.gz JRBRVYYUXKVODF-OCCSQVGLSA-N 1 0 283.437 2.850 20 70 CFIDRO COc1cc([C@H](C)[NH2+][C@H](C)[C@@H](CO)SC)ccc1F ZINC000218255865 522947359 /nfs/dbraw/zinc/94/73/59/522947359.db2.gz LQVLGZYOUZKQLL-IMSIIYSGSA-N 1 0 287.400 2.597 20 70 CFIDRO Cc1ccc(C)c(CC(=O)NCC2([NH3+])CCCCC2)c1 ZINC000159697753 524090787 /nfs/dbraw/zinc/09/07/87/524090787.db2.gz ZFWXWWQYFMTNNS-UHFFFAOYSA-N 1 0 274.408 2.624 20 70 CFIDRO C[C@H]1CCC[C@@H](C(=O)NCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000160578782 524127440 /nfs/dbraw/zinc/12/74/40/524127440.db2.gz PYJCCNULNVXIDJ-SOUVJXGZSA-N 1 0 266.429 2.803 20 70 CFIDRO C[C@@H](CCC(C)(C)C)NC(=O)CC1CC[NH2+]CC1 ZINC000159771540 524445121 /nfs/dbraw/zinc/44/51/21/524445121.db2.gz YNQUUTPATTVCKK-LBPRGKRZSA-N 1 0 254.418 2.707 20 70 CFIDRO Cc1ccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)cc1 ZINC000161406693 524452181 /nfs/dbraw/zinc/45/21/81/524452181.db2.gz UZRBWCNFZGRNCR-INIZCTEOSA-N 1 0 296.418 2.912 20 70 CFIDRO Cc1cccc([C@@H](C)C(=O)N2CC[NH+](C(C)C)CC2)c1 ZINC000159557502 524813366 /nfs/dbraw/zinc/81/33/66/524813366.db2.gz UGNORUBPKBIVDM-OAHLLOKOSA-N 1 0 274.408 2.651 20 70 CFIDRO Cc1cccc([C@@H]2CCCCCN2C(=O)[C@@H](C)[NH3+])c1 ZINC000160984199 524841474 /nfs/dbraw/zinc/84/14/74/524841474.db2.gz SMCCYTNIFZPSIR-HIFRSBDPSA-N 1 0 260.381 2.786 20 70 CFIDRO C[C@@H]1C[C@@H](N(C)c2nc(C(C)(C)C)ns2)CC[N@@H+]1C ZINC000159624509 525246190 /nfs/dbraw/zinc/24/61/90/525246190.db2.gz MHUHMTQUFZENDL-MNOVXSKESA-N 1 0 282.457 2.755 20 70 CFIDRO COc1ccc([C@H](C)[NH2+]CC2(CO)CCCC2)c(OC)c1 ZINC000160073567 525317651 /nfs/dbraw/zinc/31/76/51/525317651.db2.gz WMNVFFSFGMQPRX-ZDUSSCGKSA-N 1 0 293.407 2.907 20 70 CFIDRO CSCCCCC(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159763884 525394648 /nfs/dbraw/zinc/39/46/48/525394648.db2.gz IONGLLBURWMFIQ-UHFFFAOYSA-N 1 0 284.469 2.510 20 70 CFIDRO C[C@@H]([NH2+]Cc1cccc2cc[nH]c21)C(=O)N1CCCCC1 ZINC000218126159 525535062 /nfs/dbraw/zinc/53/50/62/525535062.db2.gz WEPINXUKEJCBQI-CYBMUJFWSA-N 1 0 285.391 2.659 20 70 CFIDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)s1 ZINC000160303245 525750504 /nfs/dbraw/zinc/75/05/04/525750504.db2.gz TWNOGJYLIZFOQH-PWSUYJOCSA-N 1 0 276.409 2.622 20 70 CFIDRO Cc1c2cc(C)ccc2[nH]c1C(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000159917821 525944201 /nfs/dbraw/zinc/94/42/01/525944201.db2.gz BHFXCWKVZDBGFI-AWEZNQCLSA-N 1 0 299.418 2.951 20 70 CFIDRO C[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1cc2ccccc2o1 ZINC000160220459 526007229 /nfs/dbraw/zinc/00/72/29/526007229.db2.gz LCILLHOUBKSSNI-AEGPPILISA-N 1 0 298.386 2.889 20 70 CFIDRO Cc1ccc(C(=O)CC[N@H+](CCCCO)C2CC2)cc1 ZINC000159797460 526040799 /nfs/dbraw/zinc/04/07/99/526040799.db2.gz AZGCMJDOMZWTQN-UHFFFAOYSA-N 1 0 275.392 2.805 20 70 CFIDRO Cc1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)ccc1Cl ZINC000160681631 526262869 /nfs/dbraw/zinc/26/28/69/526262869.db2.gz QQMACUAZDAYTLA-BETUJISGSA-N 1 0 278.783 2.615 20 70 CFIDRO Cc1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c(Cl)cc1F ZINC000159956096 526262934 /nfs/dbraw/zinc/26/29/34/526262934.db2.gz UNGAYQGOWMSMEV-PHIMTYICSA-N 1 0 296.773 2.754 20 70 CFIDRO O=C(CCCC1CCCC1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159396427 526417959 /nfs/dbraw/zinc/41/79/59/526417959.db2.gz KBMGYTUUDTZGSO-GASCZTMLSA-N 1 0 264.413 2.700 20 70 CFIDRO c1cc2cccc(C[NH2+]CCc3ccccn3)c2[nH]1 ZINC000218061866 526450130 /nfs/dbraw/zinc/45/01/30/526450130.db2.gz WZZXLSDUCUSBCQ-UHFFFAOYSA-N 1 0 251.333 2.895 20 70 CFIDRO c1cc2cccc(CN[C@@H]3CC[N@@H+]4CCCC[C@@H]34)c2[nH]1 ZINC000218109281 526450290 /nfs/dbraw/zinc/45/02/90/526450290.db2.gz MYOQIJPKIRCXTL-CVEARBPZSA-N 1 0 269.392 2.884 20 70 CFIDRO OC1(C[NH2+]Cc2ccc(F)c(C(F)(F)F)c2)CCC1 ZINC000160148115 527508614 /nfs/dbraw/zinc/50/86/14/527508614.db2.gz MQQFYBYQXPCHOV-UHFFFAOYSA-N 1 0 277.261 2.849 20 70 CFIDRO OCC1(C[NH2+]Cc2cnn(-c3ccccc3)c2)CCCC1 ZINC000160076452 527523827 /nfs/dbraw/zinc/52/38/27/527523827.db2.gz OYHZGMRDFNMEKQ-UHFFFAOYSA-N 1 0 285.391 2.515 20 70 CFIDRO FC(F)(F)CC[NH2+]Cc1cncc(Br)c1 ZINC000160575543 527665656 /nfs/dbraw/zinc/66/56/56/527665656.db2.gz MDACYUWLYXABCD-UHFFFAOYSA-N 1 0 283.091 2.886 20 70 CFIDRO CC1(O)CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000161206991 528042889 /nfs/dbraw/zinc/04/28/89/528042889.db2.gz MGZQUCIBIJTOKB-UHFFFAOYSA-N 1 0 289.297 2.932 20 70 CFIDRO CCC[NH+]1CCC(NC(=O)c2ccc(C(C)C)nc2)CC1 ZINC000161187736 528202580 /nfs/dbraw/zinc/20/25/80/528202580.db2.gz VTSZWYWPYYVGRV-UHFFFAOYSA-N 1 0 289.423 2.809 20 70 CFIDRO CCC[N@@H+]1CCC[C@H]1C(=O)NCCc1cc2ccccc2[nH]1 ZINC000160948990 528229804 /nfs/dbraw/zinc/22/98/04/528229804.db2.gz RKEPJPAIWRYQCI-KRWDZBQOSA-N 1 0 299.418 2.701 20 70 CFIDRO CC(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(=O)n2ccccc2n1 ZINC000160356500 528655162 /nfs/dbraw/zinc/65/51/62/528655162.db2.gz IMRPBCLVHXSQDE-JKSUJKDBSA-N 1 0 299.418 2.999 20 70 CFIDRO CCCC[C@H](CC)CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159679434 528904440 /nfs/dbraw/zinc/90/44/40/528904440.db2.gz ARNHCOBIXCALSM-SOUVJXGZSA-N 1 0 266.429 2.946 20 70 CFIDRO CCC([NH3+])(CC)CNC(=O)c1cc(C)c2ccccc2n1 ZINC000160429924 528946790 /nfs/dbraw/zinc/94/67/90/528946790.db2.gz DHWXRNUAXLUXCM-UHFFFAOYSA-N 1 0 285.391 2.791 20 70 CFIDRO CCCCc1ccc([C@H](C)[NH2+][C@@H](C)CC(N)=O)cc1 ZINC000161359268 529028759 /nfs/dbraw/zinc/02/87/59/529028759.db2.gz JRHKFPYIDJDOMM-STQMWFEESA-N 1 0 262.397 2.944 20 70 CFIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(C)cc1C)CC2 ZINC000160489841 282118758 /nfs/dbraw/zinc/11/87/58/282118758.db2.gz ZYZAXDOLXGWWNV-HIFRSBDPSA-N 1 0 284.407 2.869 20 70 CFIDRO C[C@H]1CC[C@H](CC(=O)NCC2([NH3+])CCCCC2)C1 ZINC000159646965 232245941 /nfs/dbraw/zinc/24/59/41/232245941.db2.gz OFZUCWQUXRYDDO-STQMWFEESA-N 1 0 252.402 2.591 20 70 CFIDRO c1csc([C@H]2CCC[N@@H+](CCOCC3CC3)C2)n1 ZINC000160001059 232246986 /nfs/dbraw/zinc/24/69/86/232246986.db2.gz KQHSDJPAFFFBSD-ZDUSSCGKSA-N 1 0 266.410 2.749 20 70 CFIDRO C[C@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)c1ccsc1 ZINC000159401764 348012537 /nfs/dbraw/zinc/01/25/37/348012537.db2.gz TYXXHOMZEGNOSN-DZGCQCFKSA-N 1 0 292.448 2.938 20 70 CFIDRO C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@@H]1CCCSC1 ZINC000159614147 348013564 /nfs/dbraw/zinc/01/35/64/348013564.db2.gz DRYCDWIPDWZRMZ-ZIAGYGMSSA-N 1 0 284.469 2.653 20 70 CFIDRO CCCC[N@H+](C)CCNC(=O)[C@@H](C)Cc1ccccc1F ZINC000159951391 348014924 /nfs/dbraw/zinc/01/49/24/348014924.db2.gz PFAQKNLXKKNLSB-AWEZNQCLSA-N 1 0 294.414 2.852 20 70 CFIDRO Cc1ccc(NC(=O)CC[NH2+]C(C)C)cc1OC(F)F ZINC000160091908 348016014 /nfs/dbraw/zinc/01/60/14/348016014.db2.gz XPHLEDGJPCZDLN-UHFFFAOYSA-N 1 0 286.322 2.923 20 70 CFIDRO CC[C@@H](CC(=O)NCC[N@H+](C)CC)c1ccc(C)cc1 ZINC000160146698 348016023 /nfs/dbraw/zinc/01/60/23/348016023.db2.gz MJFNQQFSPGGLGD-HNNXBMFYSA-N 1 0 276.424 2.947 20 70 CFIDRO C[C@@H](CC(=O)NCCCC(C)(C)C)[C@@H]1CCC[NH2+]C1 ZINC000160538101 348018769 /nfs/dbraw/zinc/01/87/69/348018769.db2.gz JBKAQMIXBQYJAQ-UONOGXRCSA-N 1 0 268.445 2.955 20 70 CFIDRO CSCC[C@H](C)N(C)C(=O)c1cccc2c1CC[NH2+]C2 ZINC000161258576 348024011 /nfs/dbraw/zinc/02/40/11/348024011.db2.gz MAWKTVSWHYRMEB-LBPRGKRZSA-N 1 0 292.448 2.546 20 70 CFIDRO CCO[C@@H]1C[C@H]([NH2+]Cc2nn(C)c3ccccc23)C1(C)C ZINC000217879820 348165874 /nfs/dbraw/zinc/16/58/74/348165874.db2.gz CKQVJJGGWWUJBC-JKSUJKDBSA-N 1 0 287.407 2.867 20 70 CFIDRO CCC[N@H+](CC)CCN[C@@H]1CCCc2cccnc21 ZINC000217704276 539663239 /nfs/dbraw/zinc/66/32/39/539663239.db2.gz DSFAAUMADCDQRL-OAHLLOKOSA-N 1 0 261.413 2.781 20 70 CFIDRO CCCC[C@@H](CC)CC(=O)N1CCC[C@H]1C[NH2+]C ZINC000161238830 282898860 /nfs/dbraw/zinc/89/88/60/282898860.db2.gz ADIOPAGAZJGAAN-KGLIPLIRSA-N 1 0 254.418 2.803 20 70 CFIDRO C[NH2+]C[C@@H](C)C(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000159602149 188434159 /nfs/dbraw/zinc/43/41/59/188434159.db2.gz VRIQYXDJHTUJTK-CYBMUJFWSA-N 1 0 290.407 2.940 20 70 CFIDRO CCNC(=O)c1cccc(C[NH2+][C@H](C)C(C)(C)C)c1 ZINC000160194976 188459557 /nfs/dbraw/zinc/45/95/57/188459557.db2.gz HBYMMZYFQMGBHZ-GFCCVEGCSA-N 1 0 262.397 2.961 20 70 CFIDRO COCCOc1ccc(C[NH2+][C@@H]2CCOC(C)(C)C2)cc1 ZINC000160525962 188478436 /nfs/dbraw/zinc/47/84/36/188478436.db2.gz AFLPGIQZBHZEAT-OAHLLOKOSA-N 1 0 293.407 2.759 20 70 CFIDRO CCC(CC)(C[NH3+])C(=O)NCc1cc(Cl)ccc1OC ZINC000161185882 188513963 /nfs/dbraw/zinc/51/39/63/188513963.db2.gz LUSNXBBZCYBFIB-UHFFFAOYSA-N 1 0 298.814 2.730 20 70 CFIDRO C[C@H]1C[C@H](c2ccccc2F)N(C(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000161044325 188504279 /nfs/dbraw/zinc/50/42/79/188504279.db2.gz SBNBYAHSAZVPSV-WOSRLPQWSA-N 1 0 290.382 2.735 20 70 CFIDRO COc1ccc(COCCC[NH2+][C@@H](C)[C@@H]2CCOC2)cc1 ZINC000161068746 188505888 /nfs/dbraw/zinc/50/58/88/188505888.db2.gz JFMRVVNNKHUJKG-GOEBONIOSA-N 1 0 293.407 2.617 20 70 CFIDRO COCC[C@@H](C)[NH2+]C[C@H](C)COCc1ccccc1 ZINC000161309491 188520822 /nfs/dbraw/zinc/52/08/22/188520822.db2.gz GKMDJAPCHCUZLS-LSDHHAIUSA-N 1 0 265.397 2.854 20 70 CFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)C[C@H](C)c1cccc(F)c1 ZINC000161236683 188516405 /nfs/dbraw/zinc/51/64/05/188516405.db2.gz CVZCJKATPCTSRH-WFASDCNBSA-N 1 0 278.371 2.530 20 70 CFIDRO COc1ccc(N(C)C(=O)CC2CC[NH2+]CC2)cc1Cl ZINC000161441312 188528033 /nfs/dbraw/zinc/52/80/33/188528033.db2.gz ZUFGLANGOODHFD-UHFFFAOYSA-N 1 0 296.798 2.701 20 70 CFIDRO Cc1nc(Cl)ccc1C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000161491496 188531143 /nfs/dbraw/zinc/53/11/43/188531143.db2.gz IIAWEDPWXUIRFK-RYUDHWBXSA-N 1 0 295.814 2.646 20 70 CFIDRO O=C(NCCC1CC[NH2+]CC1)C1C2CC3CC(C2)CC1C3 ZINC000160118798 540668460 /nfs/dbraw/zinc/66/84/60/540668460.db2.gz BXSBRRHFXJBUAQ-UHFFFAOYSA-N 1 0 290.451 2.565 20 70 CFIDRO CCCn1nccc1CNC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000160112998 540668838 /nfs/dbraw/zinc/66/88/38/540668838.db2.gz FCZKKDZPKGZXHY-RDJZCZTQSA-N 1 0 292.471 2.893 20 70 CFIDRO NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(-c2ccccc2)c1 ZINC000160351856 540671533 /nfs/dbraw/zinc/67/15/33/540671533.db2.gz RDRVIHLFIWBKLB-QGZVFWFLSA-N 1 0 280.371 2.803 20 70 CFIDRO CCC([NH3+])(CC)CNC(=O)c1cc(C)sc1C ZINC000160455323 540673289 /nfs/dbraw/zinc/67/32/89/540673289.db2.gz NDRHPDNAQKJCSQ-UHFFFAOYSA-N 1 0 254.399 2.612 20 70 CFIDRO CCC([NH3+])(CC)CNC(=O)C[C@H]1CCc2ccccc21 ZINC000160540266 540674905 /nfs/dbraw/zinc/67/49/05/540674905.db2.gz QKIGMISXUMBBIA-CQSZACIVSA-N 1 0 274.408 2.740 20 70 CFIDRO [NH3+][C@H]1CCC[C@H](NC(=O)CCCc2ccc(F)c(F)c2)C1 ZINC000160791347 540680393 /nfs/dbraw/zinc/68/03/93/540680393.db2.gz BTQGUZVQSBEUKS-STQMWFEESA-N 1 0 296.361 2.674 20 70 CFIDRO CCc1ccc(C(C)(C)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000161002662 540685832 /nfs/dbraw/zinc/68/58/32/540685832.db2.gz ARNKBEMORSAGLK-JKSUJKDBSA-N 1 0 288.435 2.913 20 70 CFIDRO C[C@H](OC1CCCCCC1)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161012249 540686463 /nfs/dbraw/zinc/68/64/63/540686463.db2.gz JDNPMIHJNVQIRZ-IHRRRGAJSA-N 1 0 282.428 2.500 20 70 CFIDRO Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1Cl ZINC000161111914 540688628 /nfs/dbraw/zinc/68/86/28/540688628.db2.gz ZLVWFBMFZTXROY-VXGBXAGGSA-N 1 0 266.772 2.648 20 70 CFIDRO C[C@H]1CN(C(=O)c2cc3ccc(F)cc3s2)C[C@H](C)[NH2+]1 ZINC000161204102 540690334 /nfs/dbraw/zinc/69/03/34/540690334.db2.gz JUPPHOCBKIOPSO-UWVGGRQHSA-N 1 0 292.379 2.863 20 70 CFIDRO C[NH2+][C@@H]1CCCN(C(=O)c2cc3ccc(F)cc3s2)C1 ZINC000161199989 540690450 /nfs/dbraw/zinc/69/04/50/540690450.db2.gz BJXVOYYNVOQQBZ-GFCCVEGCSA-N 1 0 292.379 2.864 20 70 CFIDRO C[NH2+]C[C@@H]1CCN(C(=O)c2cc3ccc(F)cc3s2)C1 ZINC000161202073 540690663 /nfs/dbraw/zinc/69/06/63/540690663.db2.gz KOSUPCPTMYLNBB-JTQLQIEISA-N 1 0 292.379 2.722 20 70 CFIDRO Cc1ccccc1OCCCC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000161336402 540692228 /nfs/dbraw/zinc/69/22/28/540692228.db2.gz MYBAMYHDLAGMRB-CABCVRRESA-N 1 0 290.407 2.540 20 70 CFIDRO CC(C)COc1cccc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000161359226 540692233 /nfs/dbraw/zinc/69/22/33/540692233.db2.gz SJBIITWLCSRIIH-GJZGRUSLSA-N 1 0 290.407 2.721 20 70 CFIDRO C[C@H]1CN(C(=O)c2cc3ccc(F)cc3s2)CC[C@@H]1[NH3+] ZINC000161214011 540691511 /nfs/dbraw/zinc/69/15/11/540691511.db2.gz DBWZRCSZXSAZRT-CABZTGNLSA-N 1 0 292.379 2.850 20 70 CFIDRO CC(C)(C)n1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cn1 ZINC000159465598 540994037 /nfs/dbraw/zinc/99/40/37/540994037.db2.gz FKGMFHRLDGKMHN-ZNMIVQPWSA-N 1 0 289.423 2.685 20 70 CFIDRO C[C@H]([NH2+][C@H]1CCN(C2CCCCC2)C1=O)c1ccncc1 ZINC000160139854 541021966 /nfs/dbraw/zinc/02/19/66/541021966.db2.gz SFZCELFYMQZIGS-BBRMVZONSA-N 1 0 287.407 2.666 20 70 CFIDRO c1nc2ccccn2c1C[NH+]1CCc2ccccc2CC1 ZINC000160471433 541425875 /nfs/dbraw/zinc/42/58/75/541425875.db2.gz HRQHAJVHGMLHSI-UHFFFAOYSA-N 1 0 277.371 2.935 20 70 CFIDRO C[C@H](CC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccncc1 ZINC000160789833 541479772 /nfs/dbraw/zinc/47/97/72/541479772.db2.gz BEQPFTVOWOETFF-IJEWVQPXSA-N 1 0 289.423 2.516 20 70 CFIDRO C[C@H](c1cccs1)[N@H+](C)CCCCS(C)(=O)=O ZINC000161474647 541649843 /nfs/dbraw/zinc/64/98/43/541649843.db2.gz IWRRTDJVLOFORI-LLVKDONJSA-N 1 0 275.439 2.566 20 70 CFIDRO COCC[C@H]([NH2+]C[C@@](C)(O)c1ccsc1)C(C)C ZINC000159888695 378736709 /nfs/dbraw/zinc/73/67/09/378736709.db2.gz HRWMTQGSLANNIU-UONOGXRCSA-N 1 0 271.426 2.606 20 70 CFIDRO C[C@H]([NH3+])C(=O)Nc1ccc(Cl)cc1OCC(F)(F)F ZINC000159976073 378740906 /nfs/dbraw/zinc/74/09/06/378740906.db2.gz RFGQPQHDPHKXPE-LURJTMIESA-N 1 0 296.676 2.567 20 70 CFIDRO CCOC[C@H]1CC[N@H+](CCC(=O)c2ccc(C)cc2)C1 ZINC000159987674 378741611 /nfs/dbraw/zinc/74/16/11/378741611.db2.gz DVMVMYSQRYUPIQ-HNNXBMFYSA-N 1 0 275.392 2.926 20 70 CFIDRO CC(C)([NH3+])CNC(=O)c1ccc(COc2ccccc2)cc1 ZINC000160011347 378743198 /nfs/dbraw/zinc/74/31/98/378743198.db2.gz BJCOWRXGIXSVLT-UHFFFAOYSA-N 1 0 298.386 2.733 20 70 CFIDRO CCCc1cc(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)sc1C ZINC000159369985 378704693 /nfs/dbraw/zinc/70/46/93/378704693.db2.gz BGVZXBHEERQVCT-MRXNPFEDSA-N 1 0 292.448 2.835 20 70 CFIDRO CN(Cc1ccccc1)CC(C)(C)[NH2+]CC1=CCCOC1 ZINC000159397179 378707794 /nfs/dbraw/zinc/70/77/94/378707794.db2.gz MJTPREHEVZUNCW-UHFFFAOYSA-N 1 0 288.435 2.833 20 70 CFIDRO Cc1cc(C[NH2+]Cc2cccc3cccnc32)n(C)n1 ZINC000159434692 378709000 /nfs/dbraw/zinc/70/90/00/378709000.db2.gz MQRAPNAMJBSDPQ-UHFFFAOYSA-N 1 0 266.348 2.567 20 70 CFIDRO CC(=O)N1CCC(C[NH2+][C@H](C)c2ccccc2C)CC1 ZINC000159458471 378710247 /nfs/dbraw/zinc/71/02/47/378710247.db2.gz IVPFFEXGOSIBHK-CQSZACIVSA-N 1 0 274.408 2.904 20 70 CFIDRO O=C1CCCN1CCC[NH2+][C@H]1CCSc2ccccc21 ZINC000159494580 378713804 /nfs/dbraw/zinc/71/38/04/378713804.db2.gz GULBMFDOAAGKDP-AWEZNQCLSA-N 1 0 290.432 2.826 20 70 CFIDRO C[N@@H+](Cc1ccc(F)c(F)c1)C[C@H]1CCC[C@@H]1O ZINC000159539376 378715539 /nfs/dbraw/zinc/71/55/39/378715539.db2.gz YSBVRDIJWNOGIF-RISCZKNCSA-N 1 0 255.308 2.558 20 70 CFIDRO C[N@@H+](Cc1cc(-c2ccco2)on1)C[C@H]1CCC[C@@H]1O ZINC000159570145 378717104 /nfs/dbraw/zinc/71/71/04/378717104.db2.gz ZKOADWUQNZCOCR-YPMHNXCESA-N 1 0 276.336 2.527 20 70 CFIDRO Cc1ncc([C@H](C)[NH2+][C@H]2CCCSC2)c(C)n1 ZINC000159562681 378717664 /nfs/dbraw/zinc/71/76/64/378717664.db2.gz RCDLUEWKRDQYKV-JQWIXIFHSA-N 1 0 251.399 2.640 20 70 CFIDRO CN(C)[C@@H](C[NH2+]Cc1cc(F)cc(F)c1)c1ccco1 ZINC000159581423 378718479 /nfs/dbraw/zinc/71/84/79/378718479.db2.gz BOBDKNRTQOHCII-AWEZNQCLSA-N 1 0 280.318 2.950 20 70 CFIDRO CC[C@H](NC(=O)[C@@H]1CCCC[NH2+]1)c1ccc(F)cc1F ZINC000159728178 378727494 /nfs/dbraw/zinc/72/74/94/378727494.db2.gz MLORBGCQOHISPZ-KBPBESRZSA-N 1 0 282.334 2.674 20 70 CFIDRO CCSCC[C@@H](C)NC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000160209971 378756573 /nfs/dbraw/zinc/75/65/73/378756573.db2.gz KEROTBBKYBRURU-DOMZBBRYSA-N 1 0 280.437 2.508 20 70 CFIDRO COC[C@@H]([NH2+]CCCc1cccc(F)c1)C1CC1 ZINC000159820813 378732098 /nfs/dbraw/zinc/73/20/98/378732098.db2.gz RDVRBXGTAGEUCX-OAHLLOKOSA-N 1 0 251.345 2.773 20 70 CFIDRO C[C@@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1ccncc1 ZINC000159808931 378732196 /nfs/dbraw/zinc/73/21/96/378732196.db2.gz ZJEWIBZBECQEDP-SECBINFHSA-N 1 0 284.285 2.685 20 70 CFIDRO C[C@H](CC[NH+](C)C)Nc1ccncc1Br ZINC000159833306 378733995 /nfs/dbraw/zinc/73/39/95/378733995.db2.gz UXWKALOSGQTZFE-SECBINFHSA-N 1 0 272.190 2.596 20 70 CFIDRO [NH3+]C[C@H]1CCCN1C(=O)c1ccc(SC(F)F)cc1 ZINC000160273756 378760828 /nfs/dbraw/zinc/76/08/28/378760828.db2.gz SOOYDUUGVWCZEJ-SNVBAGLBSA-N 1 0 286.347 2.565 20 70 CFIDRO C[NH2+]C[C@@H](C)C(=O)Nc1ccc(OCCC(C)C)cc1 ZINC000160305384 378762297 /nfs/dbraw/zinc/76/22/97/378762297.db2.gz AAZKZFLYTYQBCU-CYBMUJFWSA-N 1 0 278.396 2.906 20 70 CFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cccc(C)c1C)CC2 ZINC000160350693 378765309 /nfs/dbraw/zinc/76/53/09/378765309.db2.gz RYEFIMYGXVDAOT-UKRRQHHQSA-N 1 0 284.407 2.869 20 70 CFIDRO CO[C@]1(C[NH2+]C[C@@H]2CCCc3ccccc32)CCOC1 ZINC000160361070 378766055 /nfs/dbraw/zinc/76/60/55/378766055.db2.gz AZLVKCWGTJVWQJ-RDJZCZTQSA-N 1 0 275.392 2.502 20 70 CFIDRO CCC([NH3+])(CC)CNC(=O)c1cc(C)n(C(C)C)c1C ZINC000160448831 378774203 /nfs/dbraw/zinc/77/42/03/378774203.db2.gz UCCXVGCYJKGZCT-UHFFFAOYSA-N 1 0 279.428 2.933 20 70 CFIDRO CS[C@@H](C)CC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000160480746 378775637 /nfs/dbraw/zinc/77/56/37/378775637.db2.gz PMHJEEWGWXVNHL-FZMZJTMJSA-N 1 0 298.427 2.686 20 70 CFIDRO COC(C[N@H+](C)Cc1ccc(C(C)C)cc1)OC ZINC000160502119 378777755 /nfs/dbraw/zinc/77/77/55/378777755.db2.gz MKIVXFPZYDPPJJ-UHFFFAOYSA-N 1 0 251.370 2.861 20 70 CFIDRO CCC([NH3+])(CC)CNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC000160503173 378777822 /nfs/dbraw/zinc/77/78/22/378777822.db2.gz FDBITHGEGZCQAD-QWHCGFSZSA-N 1 0 296.361 2.702 20 70 CFIDRO NC(=O)c1c[nH+]ccc1N[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000160550219 378780110 /nfs/dbraw/zinc/78/01/10/378780110.db2.gz NJBHLVLQAGHWIN-CZUORRHYSA-N 1 0 297.358 2.513 20 70 CFIDRO O=C(N1CC[C@@H]([NH+]2CCCCC2)C1)N1CCCCCC1 ZINC000160558118 378780183 /nfs/dbraw/zinc/78/01/83/378780183.db2.gz FSVWCAJXPIKIMK-OAHLLOKOSA-N 1 0 279.428 2.543 20 70 CFIDRO CN(C)c1ncc(CN(C)Cc2ccc(Cl)cc2)cn1 ZINC000160811501 378800790 /nfs/dbraw/zinc/80/07/90/378800790.db2.gz VNHLZHMYCGYMJF-UHFFFAOYSA-N 1 0 290.798 2.828 20 70 CFIDRO C[NH2+][C@@H]1CCN(C(=O)c2oc3ccc(Cl)cc3c2C)C1 ZINC000160610698 378785623 /nfs/dbraw/zinc/78/56/23/378785623.db2.gz ZZTBGESUOVZUHB-LLVKDONJSA-N 1 0 292.766 2.829 20 70 CFIDRO CC[C@H](NC(=O)[C@H]1CC[C@H]([NH3+])C1)c1cc(F)ccc1F ZINC000160657329 378789420 /nfs/dbraw/zinc/78/94/20/378789420.db2.gz LOTDFYVYKMSTRE-CHIMOYNISA-N 1 0 282.334 2.660 20 70 CFIDRO C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)C1 ZINC000160676772 378790952 /nfs/dbraw/zinc/79/09/52/378790952.db2.gz NZIURZZQIUNICW-KURKYZTESA-N 1 0 294.398 2.764 20 70 CFIDRO Cc1occc1CN(C)CCC[NH+]1CCCCC1 ZINC000160679261 378791019 /nfs/dbraw/zinc/79/10/19/378791019.db2.gz LMPGKTTZNMOSHQ-UHFFFAOYSA-N 1 0 250.386 2.896 20 70 CFIDRO CC(C)COCC[NH2+][C@H](C)c1ccc([S@](C)=O)cc1 ZINC000160704133 378793000 /nfs/dbraw/zinc/79/30/00/378793000.db2.gz ARKIENYFKGLQCJ-BFUOFWGJSA-N 1 0 283.437 2.747 20 70 CFIDRO CC[C@@]1(C)CCCN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000160776975 378797830 /nfs/dbraw/zinc/79/78/30/378797830.db2.gz KMJCUJAUJFNLGP-AEFFLSMTSA-N 1 0 286.419 2.740 20 70 CFIDRO COc1cccc([C@H](O)C[NH2+][C@H](C)c2ccco2)c1 ZINC000160791012 378797887 /nfs/dbraw/zinc/79/78/87/378797887.db2.gz DUZDQQYBPNTQDK-BXUZGUMPSA-N 1 0 261.321 2.672 20 70 CFIDRO CCc1ccc([C@H](C)C(=O)N2CCC[C@@H]2C[NH2+]C)cc1 ZINC000161230581 378832986 /nfs/dbraw/zinc/83/29/86/378832986.db2.gz JQONZDOUVSYJIG-XJKSGUPXSA-N 1 0 274.408 2.563 20 70 CFIDRO CC[N@H+](C)Cc1cccc(CNC(=O)C[C@@H](C)SC)c1 ZINC000160857213 378803437 /nfs/dbraw/zinc/80/34/37/378803437.db2.gz SBNANJWWUNAYMK-CYBMUJFWSA-N 1 0 294.464 2.896 20 70 CFIDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)C1CCC1 ZINC000160917747 378810006 /nfs/dbraw/zinc/81/00/06/378810006.db2.gz KKYOWNPMGAJMTP-OAHLLOKOSA-N 1 0 281.444 2.691 20 70 CFIDRO CC[NH2+]CC1CCN(C(=O)c2ccnc3ccccc32)CC1 ZINC000161097963 378820830 /nfs/dbraw/zinc/82/08/30/378820830.db2.gz WLWKUJIPUODXPS-UHFFFAOYSA-N 1 0 297.402 2.697 20 70 CFIDRO C[C@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1cncc(F)c1 ZINC000161104287 378820998 /nfs/dbraw/zinc/82/09/98/378820998.db2.gz BSXLURPWKBSSBN-GLQYFDAESA-N 1 0 265.376 2.744 20 70 CFIDRO COc1ccc(C[NH2+]C(C)(C)[C@@H](C)O)c(Cl)c1OC ZINC000161130058 378824233 /nfs/dbraw/zinc/82/42/33/378824233.db2.gz HRDOLZQFRLQRCA-SECBINFHSA-N 1 0 287.787 2.606 20 70 CFIDRO COCC[C@@H](C)[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000161146413 378825657 /nfs/dbraw/zinc/82/56/57/378825657.db2.gz ATMWVINNXLKSHG-SJKOYZFVSA-N 1 0 291.391 2.924 20 70 CFIDRO Cc1ccc([C@H](C)CNC(=O)[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000161168711 378827365 /nfs/dbraw/zinc/82/73/65/378827365.db2.gz WGDSCPBOEDAWAX-QAPCUYQASA-N 1 0 296.414 2.785 20 70 CFIDRO Cc1cc(NC[C@H]2CCC[N@@H+](CC(C)C)C2)ncn1 ZINC000161313002 378839734 /nfs/dbraw/zinc/83/97/34/378839734.db2.gz GARVMASXXOAAGK-CQSZACIVSA-N 1 0 262.401 2.565 20 70 CFIDRO COC(C[NH+]1CCC(=Cc2ccccc2)CC1)OC ZINC000161439111 378848345 /nfs/dbraw/zinc/84/83/45/378848345.db2.gz OPGQRXLIBOLZBL-UHFFFAOYSA-N 1 0 261.365 2.785 20 70 CFIDRO Cc1nc(Cl)ccc1C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000161491613 378851695 /nfs/dbraw/zinc/85/16/95/378851695.db2.gz IIAWEDPWXUIRFK-VXGBXAGGSA-N 1 0 295.814 2.646 20 70 CFIDRO C[C@@H]([NH2+]C[C@H](C)COCc1ccccc1)c1cnn(C)c1 ZINC000161299532 378837967 /nfs/dbraw/zinc/83/79/67/378837967.db2.gz FZBSKHREYHZCCD-LSDHHAIUSA-N 1 0 287.407 2.924 20 70 CFIDRO CCOC[C@H](O)C[NH2+][C@H](C)c1ccc(SCC)cc1 ZINC000159637970 322325520 /nfs/dbraw/zinc/32/55/20/322325520.db2.gz SWQAGQCJSGUYFA-TZMCWYRMSA-N 1 0 283.437 2.847 20 70 CFIDRO O=C1CCCN1CCC[NH2+][C@@H]1CCCOc2ccccc21 ZINC000159541360 296318464 /nfs/dbraw/zinc/31/84/64/296318464.db2.gz DBQAEDIWYQODOX-OAHLLOKOSA-N 1 0 288.391 2.502 20 70 CFIDRO O=C1CCCN1CCC[NH2+][C@H]1CCCOc2ccccc21 ZINC000159541471 296318336 /nfs/dbraw/zinc/31/83/36/296318336.db2.gz DBQAEDIWYQODOX-HNNXBMFYSA-N 1 0 288.391 2.502 20 70 CFIDRO C[C@H]([NH2+]CCCCS(C)(=O)=O)c1ccccc1Cl ZINC000161192460 322348702 /nfs/dbraw/zinc/34/87/02/322348702.db2.gz OWMSRXBRQKOUEN-NSHDSACASA-N 1 0 289.828 2.815 20 70 CFIDRO OC1CCC([NH2+]CC2C3CC4CC(C3)CC2C4)CC1 ZINC000216689083 382784417 /nfs/dbraw/zinc/78/44/17/382784417.db2.gz OICPOGILNTWXAI-UHFFFAOYSA-N 1 0 263.425 2.952 20 70 CFIDRO CC[C@H](C)[N@H+](C)CCNCc1cnn(-c2ccccc2)c1 ZINC000217399126 382786160 /nfs/dbraw/zinc/78/61/60/382786160.db2.gz SCPGOFBAWNDFIN-HNNXBMFYSA-N 1 0 286.423 2.692 20 70 CFIDRO Fc1ccc(F)c(CN[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000217635025 382787643 /nfs/dbraw/zinc/78/76/43/382787643.db2.gz UFGKKDCBHFYLMR-CABCVRRESA-N 1 0 266.335 2.681 20 70 CFIDRO CCOc1cc(CNCC[N@H+](C)[C@H](C)CC)ccc1O ZINC000217880293 382788072 /nfs/dbraw/zinc/78/80/72/382788072.db2.gz PQYWFASAZHGIST-CYBMUJFWSA-N 1 0 280.412 2.611 20 70 CFIDRO Cc1cc(C)c2c(c1)[C@H]([NH2+]CC(=O)NC(C)C)CCCO2 ZINC000160984731 291836377 /nfs/dbraw/zinc/83/63/77/291836377.db2.gz ZIKNUKKFSGYXHI-OAHLLOKOSA-N 1 0 290.407 2.631 20 70 CFIDRO CC[C@H](C)N(C)CC[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000217759792 393757822 /nfs/dbraw/zinc/75/78/22/393757822.db2.gz LOMYESCBBCKUOP-KBPBESRZSA-N 1 0 264.413 2.643 20 70 CFIDRO CCS[C@H]1CCC[C@@H]([NH2+][C@@H]2CCN(C)C[C@@H]2C)C1 ZINC000159406022 394365775 /nfs/dbraw/zinc/36/57/75/394365775.db2.gz IWIPOTOUORYIKL-LJISPDSOSA-N 1 0 270.486 2.981 20 70 CFIDRO Cc1ccccc1C[N@H+](C)Cc1cnc2cnccn12 ZINC000160519033 394366376 /nfs/dbraw/zinc/36/63/76/394366376.db2.gz DCVIQICNFCFBHO-UHFFFAOYSA-N 1 0 266.348 2.670 20 70 CFIDRO CC[C@@H](NC[C@@H](C1CCCCC1)[NH+](C)C)c1cnn(C)c1 ZINC000160391532 394366517 /nfs/dbraw/zinc/36/65/17/394366517.db2.gz OVWMEUDKTIKCOK-SJORKVTESA-N 1 0 292.471 2.971 20 70 CFIDRO Cc1cc(C)c(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)o1 ZINC000160516189 394366650 /nfs/dbraw/zinc/36/66/50/394366650.db2.gz RIGMRUAVYAKEGQ-CQSZACIVSA-N 1 0 278.396 2.747 20 70 CFIDRO CC[C@H]([NH3+])C(=O)N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000161011271 394366849 /nfs/dbraw/zinc/36/68/49/394366849.db2.gz HXJPNKXXHWANMM-QWHCGFSZSA-N 1 0 298.839 2.694 20 70 CFIDRO CCCCc1ccc(CC(=O)N2CCC[C@@H]2C[NH2+]C)cc1 ZINC000161364730 394367259 /nfs/dbraw/zinc/36/72/59/394367259.db2.gz YSXGUQDHSFZTDM-QGZVFWFLSA-N 1 0 288.435 2.782 20 70 CFIDRO COCCOc1ccc(N[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000218068468 397620857 /nfs/dbraw/zinc/62/08/57/397620857.db2.gz KNDIDPRHWPCAQP-GRDNDAEWSA-N 1 0 292.423 2.852 20 70 CFIDRO C[C@@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1cscn1 ZINC000218249299 397620926 /nfs/dbraw/zinc/62/09/26/397620926.db2.gz QGDRFSKMSNCXGD-MNOVXSKESA-N 1 0 297.424 2.803 20 70 CFIDRO C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)NC2CCCCC2)CC1 ZINC000161160470 287367370 /nfs/dbraw/zinc/36/73/70/287367370.db2.gz PJAQOVCUWMHKGC-CQSZACIVSA-N 1 0 293.455 2.977 20 70 CFIDRO C[C@@H]1CCC[C@@H](C(=O)NCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000160578672 287371901 /nfs/dbraw/zinc/37/19/01/287371901.db2.gz PYJCCNULNVXIDJ-QLFBSQMISA-N 1 0 266.429 2.803 20 70 CFIDRO CC(C)[C@@H](C(=O)N[C@@H]1CCCc2sccc21)[NH+](C)C ZINC000160264908 275666695 /nfs/dbraw/zinc/66/66/95/275666695.db2.gz LEVGHOCHFRXUQY-OCCSQVGLSA-N 1 0 280.437 2.828 20 70 CFIDRO CC(C)[C@H](c1ccccc1)N(C)C(=O)[C@H]1CCC[NH2+]C1 ZINC000159756915 276024988 /nfs/dbraw/zinc/02/49/88/276024988.db2.gz XNXNVVBESNOFGN-JKSUJKDBSA-N 1 0 274.408 2.842 20 70 CFIDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCOC(C)(C)C2)C12CCC2 ZINC000159948039 276475265 /nfs/dbraw/zinc/47/52/65/276475265.db2.gz OVSXZWSOEKNDTA-MGPQQGTHSA-N 1 0 267.413 2.881 20 70 CFIDRO COCC[C@H](C)[NH2+]C1CCN([C@@H](C)c2ccncc2)CC1 ZINC000159902837 277239089 /nfs/dbraw/zinc/23/90/89/277239089.db2.gz OSJISHVFXFYKFC-GJZGRUSLSA-N 1 0 291.439 2.622 20 70 CFIDRO C[C@H](C(=O)NCC[NH2+]C1CCCCCC1)c1cccnc1 ZINC000159638216 278151653 /nfs/dbraw/zinc/15/16/53/278151653.db2.gz RBBOBCDEQNIPSC-AWEZNQCLSA-N 1 0 289.423 2.614 20 70 CFIDRO CC(C)(C)c1ccc(CCC(=O)N2CCC[C@H]2C[NH3+])cc1 ZINC000160188274 278560457 /nfs/dbraw/zinc/56/04/57/278560457.db2.gz BOYFDKTVOLMMSG-INIZCTEOSA-N 1 0 288.435 2.866 20 70 CFIDRO Cc1ncc([C@@H](C)[NH2+][C@H]2CCCSC2)c(C)n1 ZINC000159562546 279157343 /nfs/dbraw/zinc/15/73/43/279157343.db2.gz RCDLUEWKRDQYKV-PWSUYJOCSA-N 1 0 251.399 2.640 20 70 CFIDRO C[C@H]1C[C@H](NC(=O)NC(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC000160380753 280003921 /nfs/dbraw/zinc/00/39/21/280003921.db2.gz LEHPUYOQHDYEJS-ZFWWWQNUSA-N 1 0 289.423 2.747 20 70 CFIDRO C[C@H]1C[C@H]([NH2+]CCO)c2cccc(Br)c21 ZINC000159706874 280010682 /nfs/dbraw/zinc/01/06/82/280010682.db2.gz QTXGXCJEDOVNNH-KWQFWETISA-N 1 0 270.170 2.579 20 70 CFIDRO Cc1nc2c(s1)[C@H]([NH2+]C[C@H]1CCCC[C@@H]1O)CCC2 ZINC000160594109 282044177 /nfs/dbraw/zinc/04/41/77/282044177.db2.gz NONDUDGMDDCHAO-BZPMIXESSA-N 1 0 280.437 2.970 20 70 CFIDRO CC1(C)CCC(C(=O)N2CCN(C3CC3)CC2)CC1 ZINC000159466300 322323098 /nfs/dbraw/zinc/32/30/98/322323098.db2.gz YYVJSHVUJVCWHY-UHFFFAOYSA-N 1 0 264.413 2.509 20 70 CFIDRO CS[C@H](C)CC(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000159483324 322323677 /nfs/dbraw/zinc/32/36/77/322323677.db2.gz WMDONZQCJWQEGT-MGPQQGTHSA-N 1 0 286.485 2.612 20 70 CFIDRO C[N@H+](CCCOc1ccc(F)cc1)C[C@@H]1CCC[C@@H]1O ZINC000159563281 322324434 /nfs/dbraw/zinc/32/44/34/322324434.db2.gz ISANLMGYDQBRMS-BBRMVZONSA-N 1 0 281.371 2.687 20 70 CFIDRO CC[C@H](OC1CCCCC1)C(=O)NC1CC[NH+](CC)CC1 ZINC000159588677 322324465 /nfs/dbraw/zinc/32/44/65/322324465.db2.gz LQHVCUHYRQFBOX-INIZCTEOSA-N 1 0 296.455 2.715 20 70 CFIDRO C[N@H+](CCOc1ccc(Cl)cc1)C[C@H]1CCC[C@@H]1O ZINC000159562851 322324559 /nfs/dbraw/zinc/32/45/59/322324559.db2.gz LTGYXKZHSMAOAI-DOMZBBRYSA-N 1 0 283.799 2.812 20 70 CFIDRO CC[C@H](OC1CCCCC1)C(=O)NC[C@@H]1CCC[N@@H+]1CC ZINC000159578468 322324776 /nfs/dbraw/zinc/32/47/76/322324776.db2.gz MEZQOEXTHCUHFE-HOCLYGCPSA-N 1 0 296.455 2.715 20 70 CFIDRO CC1(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000159669200 322326319 /nfs/dbraw/zinc/32/63/19/322326319.db2.gz BDVODNRTXIDAMQ-GFCCVEGCSA-N 1 0 278.421 2.801 20 70 CFIDRO CCC[N@@H+]1CC[C@@H](CNC(=O)NCC2(C3CC3)CCC2)C1 ZINC000159764310 322327859 /nfs/dbraw/zinc/32/78/59/322327859.db2.gz YGXXPXMBAJLZSE-AWEZNQCLSA-N 1 0 293.455 2.598 20 70 CFIDRO CCC[N@@H+]1CC[C@H](CNC(=O)NCC2(C3CC3)CCC2)C1 ZINC000159764179 322328114 /nfs/dbraw/zinc/32/81/14/322328114.db2.gz YGXXPXMBAJLZSE-CQSZACIVSA-N 1 0 293.455 2.598 20 70 CFIDRO Cc1[nH]c2ccc(C(=O)N(C)[C@H](C[NH3+])C3CC3)cc2c1C ZINC000159802169 322328553 /nfs/dbraw/zinc/32/85/53/322328553.db2.gz DIBVRCUAERMGLD-MRXNPFEDSA-N 1 0 285.391 2.594 20 70 CFIDRO C[C@H]([NH2+]CCC(C)(C)C)c1nnnn1-c1ccccc1 ZINC000159881632 322329637 /nfs/dbraw/zinc/32/96/37/322329637.db2.gz SHRDVSQDCLSTTJ-LBPRGKRZSA-N 1 0 273.384 2.749 20 70 CFIDRO C[C@H]1CCC[N@@H+]1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000159917552 322330367 /nfs/dbraw/zinc/33/03/67/322330367.db2.gz WDKXONIGLIZTKJ-ZDUSSCGKSA-N 1 0 266.429 2.755 20 70 CFIDRO CC1CC[NH+](CCCNC(=O)N2CC[C@H](C)[C@H](C)C2)CC1 ZINC000159943255 322330543 /nfs/dbraw/zinc/33/05/43/322330543.db2.gz KAWJWKHPHZKLOS-JKSUJKDBSA-N 1 0 295.471 2.796 20 70 CFIDRO CCCC[N@H+](C)CCNC(=O)[C@@H](C)c1ccsc1 ZINC000159952300 322330783 /nfs/dbraw/zinc/33/07/83/322330783.db2.gz SWHFZJCYSXNKNR-LBPRGKRZSA-N 1 0 268.426 2.700 20 70 CFIDRO CC(C)C(=O)NCCC[NH2+][C@H](C)c1ccc(F)cc1F ZINC000159974845 322331069 /nfs/dbraw/zinc/33/10/69/322331069.db2.gz SJUBSMYMJRBACU-LLVKDONJSA-N 1 0 284.350 2.778 20 70 CFIDRO CN(CC[NH+]1CCCC1)C(=O)C1CCC(C)(C)CC1 ZINC000159989381 322331632 /nfs/dbraw/zinc/33/16/32/322331632.db2.gz HNSMTUUFBOGBNO-UHFFFAOYSA-N 1 0 266.429 2.757 20 70 CFIDRO C[N@@H+]1CC[C@@H](CNC(=O)C[C@@H]2CCCCC2(C)C)C1 ZINC000160101333 322333160 /nfs/dbraw/zinc/33/31/60/322333160.db2.gz UAENLXUOGYQNPS-KBPBESRZSA-N 1 0 266.429 2.661 20 70 CFIDRO C[N@H+](CCCOc1ccc(Cl)cc1)[C@H](CN)C1CC1 ZINC000160142037 322333703 /nfs/dbraw/zinc/33/37/03/322333703.db2.gz AVSSDYUXNQYFML-OAHLLOKOSA-N 1 0 282.815 2.778 20 70 CFIDRO CC[N@H+](CCNC(=O)[C@@H](C)c1cccs1)C(C)C ZINC000160177575 322334024 /nfs/dbraw/zinc/33/40/24/322334024.db2.gz MHBJSONDCHMVHQ-LBPRGKRZSA-N 1 0 268.426 2.698 20 70 CFIDRO CC[C@@]1(C)C[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000160401789 322337515 /nfs/dbraw/zinc/33/75/15/322337515.db2.gz OUHSNNQRNFVLOP-YCPHGPKFSA-N 1 0 266.429 2.659 20 70 CFIDRO Cc1cc(F)ccc1C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000160489540 322338670 /nfs/dbraw/zinc/33/86/70/322338670.db2.gz BNUQLZPUPWFFTO-OAHLLOKOSA-N 1 0 292.398 2.984 20 70 CFIDRO CC[C@@H](C)C[N@H+](CC)[C@@H](C)C(=O)Nc1c(C)nn(C)c1C ZINC000160560858 322339762 /nfs/dbraw/zinc/33/97/62/322339762.db2.gz HFWFKTLXRUAPQC-RISCZKNCSA-N 1 0 294.443 2.732 20 70 CFIDRO COCC[C@@H](C)[NH2+]CCCCc1nc(C)cs1 ZINC000160702502 322341705 /nfs/dbraw/zinc/34/17/05/322341705.db2.gz VDRTWHYOVBOBEB-LLVKDONJSA-N 1 0 256.415 2.789 20 70 CFIDRO CC[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160886537 322344949 /nfs/dbraw/zinc/34/49/49/322344949.db2.gz XRQIJSDXZCEYMI-HUUCEWRRSA-N 1 0 293.455 2.977 20 70 CFIDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)C(C)C ZINC000160940848 322345296 /nfs/dbraw/zinc/34/52/96/322345296.db2.gz ZMKOFRFUIAPQCX-CQSZACIVSA-N 1 0 269.433 2.547 20 70 CFIDRO Cc1nccc(N(CC[NH+](C)C)CC2CCCCC2)n1 ZINC000160936672 322345510 /nfs/dbraw/zinc/34/55/10/322345510.db2.gz LQTHZFXWXDIJTG-UHFFFAOYSA-N 1 0 276.428 2.733 20 70 CFIDRO CS[C@H](C)CC(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000160992399 322345814 /nfs/dbraw/zinc/34/58/14/322345814.db2.gz ZGVCRZHSPVVLPW-AAVRWANBSA-N 1 0 286.485 2.611 20 70 CFIDRO CCc1nnc([C@H](C)N(CC)Cc2ccccn2)o1 ZINC000161041207 322346344 /nfs/dbraw/zinc/34/63/44/322346344.db2.gz QQXOGKHKMCTHDA-NSHDSACASA-N 1 0 260.341 2.610 20 70 CFIDRO CC[C@H]1CCCN(C(C)(C)C[NH2+][C@@H](C)COC)C1 ZINC000161024923 322346518 /nfs/dbraw/zinc/34/65/18/322346518.db2.gz SGFPJSQDVXETPB-KBPBESRZSA-N 1 0 256.434 2.512 20 70 CFIDRO C[C@@H]([NH2+]CCc1ccc2c(c1)OCO2)c1cncs1 ZINC000161123449 322347689 /nfs/dbraw/zinc/34/76/89/322347689.db2.gz GTGMTPCFFZKMTK-SNVBAGLBSA-N 1 0 276.361 2.765 20 70 CFIDRO CCN1CCCC[C@H]1C[NH2+][C@H](COC)Cc1ccccc1 ZINC000161187010 322348486 /nfs/dbraw/zinc/34/84/86/322348486.db2.gz VLGWZKHYFNWWTL-ROUUACIJSA-N 1 0 290.451 2.708 20 70 CFIDRO CCC(CC)(C[NH3+])C(=O)NCCCOc1ccccc1C ZINC000161210446 322348769 /nfs/dbraw/zinc/34/87/69/322348769.db2.gz XWVHMBMAESZQDP-UHFFFAOYSA-N 1 0 292.423 2.645 20 70 CFIDRO COC[C@H](C)[NH2+][C@@H](CNC(=O)OC(C)(C)C)CC(C)C ZINC000161264016 322349163 /nfs/dbraw/zinc/34/91/63/322349163.db2.gz NLIKNXJEMUFBLL-QWHCGFSZSA-N 1 0 288.432 2.550 20 70 CFIDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)[C@@H]2CCOC2)C1(CC)CC ZINC000161297078 322349869 /nfs/dbraw/zinc/34/98/69/322349869.db2.gz UNEGRPDUNIKKST-LJISPDSOSA-N 1 0 269.429 2.985 20 70 CFIDRO CC[C@@H]1CCCC[C@@H]1[NH2+]C1CCC(NC(C)=O)CC1 ZINC000161421501 322351554 /nfs/dbraw/zinc/35/15/54/322351554.db2.gz LDEYWDGHBRYSOG-LMPOIIKSSA-N 1 0 266.429 2.992 20 70 CFIDRO Cc1cccc(CC[NH2+]Cc2ccc(N(C)C)nc2)c1 ZINC000161450341 322352086 /nfs/dbraw/zinc/35/20/86/322352086.db2.gz ZUUSYKHOXPIXFI-UHFFFAOYSA-N 1 0 269.392 2.788 20 70 CFIDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)C2CC2)C[C@@H]1C ZINC000161509805 322353084 /nfs/dbraw/zinc/35/30/84/322353084.db2.gz YIBFKLQWWFSYLO-AUZPSNTRSA-N 1 0 253.386 2.742 20 70 CFIDRO Brc1cncc(C[NH2+]C[C@H]2CCCS2)c1 ZINC000160589213 518231463 /nfs/dbraw/zinc/23/14/63/518231463.db2.gz GHOSFXCHXRUZDF-LLVKDONJSA-N 1 0 287.226 2.829 20 70 CFIDRO CC(C)CC1(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CCCC1 ZINC000160626016 519621784 /nfs/dbraw/zinc/62/17/84/519621784.db2.gz KZPAFGVPJOYKKL-GASCZTMLSA-N 1 0 278.440 2.946 20 70 CFIDRO CC(C)CC[C@](C)(O)C[NH2+][C@H](C)C1CCOCC1 ZINC000159444237 519696084 /nfs/dbraw/zinc/69/60/84/519696084.db2.gz VIWLMNSOTCAGFX-HIFRSBDPSA-N 1 0 257.418 2.578 20 70 CFIDRO CC(C)[C@@H](C)[NH2+]CCCc1nnc2n1CCCCC2 ZINC000161145266 519792342 /nfs/dbraw/zinc/79/23/42/519792342.db2.gz ZITUECHTFLXCAJ-CYBMUJFWSA-N 1 0 264.417 2.571 20 70 CFIDRO CCC[N@@H+]1CCCN(C(=O)CC2CCCCC2)CC1 ZINC000160389856 519848787 /nfs/dbraw/zinc/84/87/87/519848787.db2.gz YCEJKCVGFPXOTC-UHFFFAOYSA-N 1 0 266.429 2.901 20 70 CFIDRO CCC[N@@H+]1CCCN(C(=O)[C@H](C)c2cccs2)CC1 ZINC000159930297 519850438 /nfs/dbraw/zinc/85/04/38/519850438.db2.gz OZNZFQVCWYJSGS-CYBMUJFWSA-N 1 0 280.437 2.796 20 70 CFIDRO CC(C)n1cc([C@H](C)N[C@H]2CCC[C@H]([NH+](C)C)C2)cn1 ZINC000161123117 519981598 /nfs/dbraw/zinc/98/15/98/519981598.db2.gz KMJQNSCDHJOALR-BPUTZDHNSA-N 1 0 278.444 2.987 20 70 CFIDRO CC(C)n1cc2cc(NC(=O)[C@@H]3CCC[NH2+]C3)ccc2n1 ZINC000160069367 519984414 /nfs/dbraw/zinc/98/44/14/519984414.db2.gz LCLRRPZBSHLOHY-GFCCVEGCSA-N 1 0 286.379 2.555 20 70 CFIDRO CCOC[C@H]1CCC[N@H+](Cc2c(C)nc3ccccn32)C1 ZINC000160411405 520172298 /nfs/dbraw/zinc/17/22/98/520172298.db2.gz PTBDYJRBNISSFR-HNNXBMFYSA-N 1 0 287.407 2.891 20 70 CFIDRO CCO[C@H]1C[C@H]([NH2+]Cc2cnn3ccccc23)C1(C)C ZINC000217871541 520577769 /nfs/dbraw/zinc/57/77/69/520577769.db2.gz GGKBAJIKXNLARV-GJZGRUSLSA-N 1 0 273.380 2.628 20 70 CFIDRO CCCN(CC1CC1)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160807732 521621112 /nfs/dbraw/zinc/62/11/12/521621112.db2.gz HXCUAMYZISXFQY-HNNXBMFYSA-N 1 0 293.455 2.835 20 70 CFIDRO CC[C@H](C)[C@H](C)[NH2+]C[C@@H](O)COc1ccc(F)cc1 ZINC000218774286 521936625 /nfs/dbraw/zinc/93/66/25/521936625.db2.gz ZFHJRBAHTCAKKW-SGMGOOAPSA-N 1 0 269.360 2.590 20 70 CFIDRO CC[C@H]([NH2+]CCOCC(F)(F)F)c1c(C)nn(C)c1C ZINC000159375587 522594509 /nfs/dbraw/zinc/59/45/09/522594509.db2.gz QTTQDJQQFRSSCU-NSHDSACASA-N 1 0 293.333 2.657 20 70 CFIDRO CC[C@@H]([NH2+]CCCc1nc(C(C)C)no1)C1CC1 ZINC000160822593 522830370 /nfs/dbraw/zinc/83/03/70/522830370.db2.gz GZADLDXGTZBQPQ-GFCCVEGCSA-N 1 0 251.374 2.904 20 70 CFIDRO CC[C@@H]([NH2+][C@H](C(N)=O)C(C)C)c1ccc(F)cc1F ZINC000160897308 522929540 /nfs/dbraw/zinc/92/95/40/522929540.db2.gz SMKCYINFONRYFN-OLZOCXBDSA-N 1 0 270.323 2.515 20 70 CFIDRO CC[C@H]1CCCN(C(C)(C)C[NH2+][C@@H](COC)C2CC2)C1 ZINC000161027162 523086341 /nfs/dbraw/zinc/08/63/41/523086341.db2.gz CEBTZJZYUQAVCD-HOCLYGCPSA-N 1 0 282.472 2.902 20 70 CFIDRO CC[C@H](C)[N@H+](C)CCNC(=O)Nc1cccc(C(C)=O)c1 ZINC000217401546 523918340 /nfs/dbraw/zinc/91/83/40/523918340.db2.gz YXEATTWGVWMXNQ-LBPRGKRZSA-N 1 0 291.395 2.741 20 70 CFIDRO COc1cccc([C@@H]2CCC[N@@H+]2CCCCCO)c1 ZINC000160959032 524117905 /nfs/dbraw/zinc/11/79/05/524117905.db2.gz PQAVPTZPYQVYQN-INIZCTEOSA-N 1 0 263.381 2.995 20 70 CFIDRO C[C@@H](CCn1cccn1)[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000159495530 524554656 /nfs/dbraw/zinc/55/46/56/524554656.db2.gz KMHHXOUACPNYHM-STQMWFEESA-N 1 0 265.401 2.597 20 70 CFIDRO Cc1cc(Cl)cc(C(=O)NCC[NH2+]C(C)(C)C)c1 ZINC000159806638 524857028 /nfs/dbraw/zinc/85/70/28/524857028.db2.gz SQDJPPKHCVLBMX-UHFFFAOYSA-N 1 0 268.788 2.766 20 70 CFIDRO Cc1cccc([C@H](C)C(=O)NCC[NH+]2CCCCC2)c1 ZINC000159892145 524861037 /nfs/dbraw/zinc/86/10/37/524861037.db2.gz YPIYWGQUKVDMAJ-HNNXBMFYSA-N 1 0 274.408 2.701 20 70 CFIDRO C[C@@H]1C[C@H](N(C)c2nc(C(C)(C)C)ns2)CC[N@@H+]1C ZINC000159624261 525419652 /nfs/dbraw/zinc/41/96/52/525419652.db2.gz MHUHMTQUFZENDL-GHMZBOCLSA-N 1 0 282.457 2.755 20 70 CFIDRO C[C@H]([NH2+]Cc1cc(F)cc(Cl)c1)C(=O)N1CCCCC1 ZINC000160902295 525432043 /nfs/dbraw/zinc/43/20/43/525432043.db2.gz SEUCZSFGCWGXHL-NSHDSACASA-N 1 0 298.789 2.970 20 70 CFIDRO C[C@@H]([NH2+]Cc1ccccc1CN1CCOCC1)C1(C)CC1 ZINC000160488764 525537783 /nfs/dbraw/zinc/53/77/83/525537783.db2.gz KJQBQFXFTOJZFN-OAHLLOKOSA-N 1 0 288.435 2.797 20 70 CFIDRO C[C@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)c1cccs1 ZINC000159400053 525976557 /nfs/dbraw/zinc/97/65/57/525976557.db2.gz ILNVKPPQXKUGCW-KBPBESRZSA-N 1 0 292.448 2.938 20 70 CFIDRO c1ccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)cc1 ZINC000161407404 526468491 /nfs/dbraw/zinc/46/84/91/526468491.db2.gz HCBYBWIRPKPORN-OAHLLOKOSA-N 1 0 282.391 2.604 20 70 CFIDRO OCC1([NH2+]Cc2ccc(Br)cc2Cl)CC1 ZINC000159651118 527525798 /nfs/dbraw/zinc/52/57/98/527525798.db2.gz SOLDOQIJMVEMCP-UHFFFAOYSA-N 1 0 290.588 2.717 20 70 CFIDRO CCC[NH+]1CCC(NC(=O)c2ccccc2CC)CC1 ZINC000160813978 528202214 /nfs/dbraw/zinc/20/22/14/528202214.db2.gz FQRVCQAZRSSSIS-UHFFFAOYSA-N 1 0 274.408 2.853 20 70 CFIDRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)COCc1ccco1 ZINC000160371410 528652409 /nfs/dbraw/zinc/65/24/09/528652409.db2.gz DNJGIMKZIGBFAV-XIRDDKMYSA-N 1 0 295.423 2.962 20 70 CFIDRO CC(C)[N@H+](CCOCC1CC1)CCc1nccs1 ZINC000159855779 528910287 /nfs/dbraw/zinc/91/02/87/528910287.db2.gz ITGOMJIIRBENSJ-UHFFFAOYSA-N 1 0 268.426 2.823 20 70 CFIDRO Cc1ccc([C@@H](C)[NH2+]CCCN2CCCC2=O)cc1F ZINC000159497435 348012460 /nfs/dbraw/zinc/01/24/60/348012460.db2.gz LSFLJLRDZMVDJZ-CYBMUJFWSA-N 1 0 278.371 2.797 20 70 CFIDRO COCC[NH2+]Cc1cccc(F)c1OCC(F)(F)F ZINC000159382854 348012469 /nfs/dbraw/zinc/01/24/69/348012469.db2.gz CCLWFYFYOTWBLL-UHFFFAOYSA-N 1 0 281.249 2.503 20 70 CFIDRO [NH3+]Cc1ccc(CNC(=O)CCCc2cccs2)cc1 ZINC000159577350 348013242 /nfs/dbraw/zinc/01/32/42/348013242.db2.gz SLFNRCQAGSONPE-UHFFFAOYSA-N 1 0 288.416 2.846 20 70 CFIDRO CCC(C)(C)NC(=O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000159618353 348013334 /nfs/dbraw/zinc/01/33/34/348013334.db2.gz XMPHWCKZBLQINZ-STQMWFEESA-N 1 0 252.402 2.556 20 70 CFIDRO CCS[C@H]1CCCCN(C(=O)CC[NH2+]C(C)C)C1 ZINC000159765189 348014308 /nfs/dbraw/zinc/01/43/08/348014308.db2.gz NIUQOSHBSQLZHM-ZDUSSCGKSA-N 1 0 272.458 2.509 20 70 CFIDRO CCSCC[C@@H](C)[NH2+]C[C@H](O)COc1ccc(C)cc1 ZINC000160164676 348015940 /nfs/dbraw/zinc/01/59/40/348015940.db2.gz YOVWHTWJFUZZAL-CABCVRRESA-N 1 0 297.464 2.856 20 70 CFIDRO C[C@@H]1Cc2ccccc2N1C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160665090 348019649 /nfs/dbraw/zinc/01/96/49/348019649.db2.gz GFEJOBGQNPVTCM-CJNGLKHVSA-N 1 0 299.418 2.632 20 70 CFIDRO C[C@H]1Cc2ccccc2N1C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160664956 348019686 /nfs/dbraw/zinc/01/96/86/348019686.db2.gz GFEJOBGQNPVTCM-XJKSGUPXSA-N 1 0 299.418 2.632 20 70 CFIDRO Cc1cccc2c1CCN2C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160755555 348020496 /nfs/dbraw/zinc/02/04/96/348020496.db2.gz YYZYVCKCUJYBRA-OAHLLOKOSA-N 1 0 299.418 2.551 20 70 CFIDRO Cc1cccc(CSCC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000160932062 348022112 /nfs/dbraw/zinc/02/21/12/348022112.db2.gz RXLILQDWEGFLBU-HUUCEWRRSA-N 1 0 292.448 2.614 20 70 CFIDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2nn(C)c3ccccc23)C1(C)C ZINC000217879684 348165881 /nfs/dbraw/zinc/16/58/81/348165881.db2.gz CKQVJJGGWWUJBC-HZPDHXFCSA-N 1 0 287.407 2.867 20 70 CFIDRO Cc1c(C[NH2+]CC2C3CC4CC(C3)CC2C4)cnn1C ZINC000216834671 539624688 /nfs/dbraw/zinc/62/46/88/539624688.db2.gz PEXZLGTVALZLTM-UHFFFAOYSA-N 1 0 273.424 2.890 20 70 CFIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2ccc(Cl)cc2Cl)C1 ZINC000161178764 539781842 /nfs/dbraw/zinc/78/18/42/539781842.db2.gz RSCGTRCJDMUGRD-UWVGGRQHSA-N 1 0 287.190 2.993 20 70 CFIDRO COC[C@@H]([NH2+]CCN(C)Cc1ccc(F)cc1)C(C)C ZINC000160135176 292835845 /nfs/dbraw/zinc/83/58/45/292835845.db2.gz LKXPCLFNMYWZHX-MRXNPFEDSA-N 1 0 282.403 2.518 20 70 CFIDRO CCC[N@H+](CCCCS(C)(=O)=O)Cc1ccccc1 ZINC000161135400 539830525 /nfs/dbraw/zinc/83/05/25/539830525.db2.gz RSISVSDAHOCUSV-UHFFFAOYSA-N 1 0 283.437 2.723 20 70 CFIDRO CCc1ccccc1C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000160690418 188486627 /nfs/dbraw/zinc/48/66/27/188486627.db2.gz IOZUODYYUWIJJS-UHFFFAOYSA-N 1 0 274.408 2.852 20 70 CFIDRO COC(C)(C)C[C@H](C)NC(=O)[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000160966548 188500651 /nfs/dbraw/zinc/50/06/51/188500651.db2.gz KPFSLHDREJERLQ-GUTXKFCHSA-N 1 0 292.423 2.642 20 70 CFIDRO C[C@H](CCC1CCCCC1)NC(=O)[C@@H]1CCC[NH2+]1 ZINC000160915493 188497966 /nfs/dbraw/zinc/49/79/66/188497966.db2.gz FZYPVJBEYIUPSN-OCCSQVGLSA-N 1 0 252.402 2.604 20 70 CFIDRO C[C@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(C[NH3+])cc1 ZINC000159878945 291160328 /nfs/dbraw/zinc/16/03/28/291160328.db2.gz AYNKDUWENGMRDU-MAZHCROVSA-N 1 0 272.392 2.939 20 70 CFIDRO Cc1nn(C)cc1C[NH2+]CCCCc1ccccc1 ZINC000160140014 540542445 /nfs/dbraw/zinc/54/24/45/540542445.db2.gz BYILTHTXEYENRS-UHFFFAOYSA-N 1 0 257.381 2.841 20 70 CFIDRO O=C(NC[C@H]1C[C@@H]1c1ccccc1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000159787353 540662959 /nfs/dbraw/zinc/66/29/59/540662959.db2.gz VZOZETNSQZIWOH-PNKHAZJDSA-N 1 0 298.430 2.827 20 70 CFIDRO C[C@H](CCC(C)(C)C)NC(=O)c1ccc(C[NH3+])o1 ZINC000159771108 540663129 /nfs/dbraw/zinc/66/31/29/540663129.db2.gz NOWSXEYKPZECSF-SNVBAGLBSA-N 1 0 252.358 2.683 20 70 CFIDRO CC(C)[NH2+]CCC(=O)N1CCC[C@@](C)(c2ccccc2)C1 ZINC000160103367 540668529 /nfs/dbraw/zinc/66/85/29/540668529.db2.gz VMHJQYKBKUHEBP-GOSISDBHSA-N 1 0 288.435 2.955 20 70 CFIDRO CC[C@@H]1c2ccccc2CCN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000160133258 540669098 /nfs/dbraw/zinc/66/90/98/540669098.db2.gz JGXHMJXRAAPLKO-GDBMZVCRSA-N 1 0 272.392 2.522 20 70 CFIDRO CCCn1nccc1C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000160131959 540669323 /nfs/dbraw/zinc/66/93/23/540669323.db2.gz BJYQKJHWTTYGTH-MRXNPFEDSA-N 1 0 269.392 2.940 20 70 CFIDRO CCC([NH3+])(CC)CNC(=O)c1cc(F)c(C)cc1F ZINC000160426238 540672759 /nfs/dbraw/zinc/67/27/59/540672759.db2.gz DYGRZQZRXWWZDU-UHFFFAOYSA-N 1 0 270.323 2.521 20 70 CFIDRO CCc1ccc([C@H](C)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000160812871 540680911 /nfs/dbraw/zinc/68/09/11/540680911.db2.gz QQZOXAVIYCPBLE-RCBQFDQVSA-N 1 0 274.408 2.739 20 70 CFIDRO CSc1ccc(C)c(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000160881474 540682337 /nfs/dbraw/zinc/68/23/37/540682337.db2.gz LYBZZCHLAQJZQW-NWDGAFQWSA-N 1 0 278.421 2.717 20 70 CFIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000160965487 540684684 /nfs/dbraw/zinc/68/46/84/540684684.db2.gz GLMOJXBMIVIZEL-VXGBXAGGSA-N 1 0 286.297 2.705 20 70 CFIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CCc2ccc(Cl)s2)C1 ZINC000161081865 540688045 /nfs/dbraw/zinc/68/80/45/540688045.db2.gz YJYBEDJUEFYGLR-NXEZZACHSA-N 1 0 286.828 2.720 20 70 CFIDRO COc1ccc([C@H](C)CC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000161022934 540686913 /nfs/dbraw/zinc/68/69/13/540686913.db2.gz FNSIVWUVDSIBCG-VHDGCEQUSA-N 1 0 290.407 2.575 20 70 CFIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)C2(Cc3ccccc3)CCC2)C1 ZINC000161018500 540687050 /nfs/dbraw/zinc/68/70/50/540687050.db2.gz CQWFZMGHKMRFCM-JKSUJKDBSA-N 1 0 286.419 2.786 20 70 CFIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)COc2ccc3ccccc3c2)C1 ZINC000161188519 540690101 /nfs/dbraw/zinc/69/01/01/540690101.db2.gz GEVHBDIBAQXVFD-HZPDHXFCSA-N 1 0 298.386 2.605 20 70 CFIDRO Cc1ccc(CCCC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000161226297 540690467 /nfs/dbraw/zinc/69/04/67/540690467.db2.gz UOCIVSPLMZBSPM-OLZOCXBDSA-N 1 0 280.437 2.765 20 70 CFIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)CCCC2CCCC2)C1 ZINC000161224946 540690749 /nfs/dbraw/zinc/69/07/49/540690749.db2.gz UDBIJYLRTMLBJJ-KGLIPLIRSA-N 1 0 252.402 2.733 20 70 CFIDRO CC(C)c1cccc(OCC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000161114921 540689020 /nfs/dbraw/zinc/68/90/20/540689020.db2.gz QQJSWRFKMHRNLE-LSDHHAIUSA-N 1 0 290.407 2.575 20 70 CFIDRO O=C(NCCC[NH2+]C1CC1)c1cc2ccc(F)cc2s1 ZINC000161196208 540690712 /nfs/dbraw/zinc/69/07/12/540690712.db2.gz PANLXTCFBBTHJD-UHFFFAOYSA-N 1 0 292.379 2.912 20 70 CFIDRO CC(C)CC1(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CCC1 ZINC000161248729 540691299 /nfs/dbraw/zinc/69/12/99/540691299.db2.gz RQADTXRZNWEWAZ-QWHCGFSZSA-N 1 0 252.402 2.589 20 70 CFIDRO Cc1nc(CC(C)C)sc1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161209627 540691360 /nfs/dbraw/zinc/69/13/60/540691360.db2.gz HCEARHGMNVSGTF-RYUDHWBXSA-N 1 0 295.452 2.650 20 70 CFIDRO CC(C)[C@H](Cc1ccccc1)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161245141 540691470 /nfs/dbraw/zinc/69/14/70/540691470.db2.gz CJHPCYXSEOCBIB-BBWFWOEESA-N 1 0 288.435 2.887 20 70 CFIDRO C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000161417834 540693497 /nfs/dbraw/zinc/69/34/97/540693497.db2.gz JZSXRUXOLWWOGM-HNKHHVNMSA-N 1 0 272.392 2.518 20 70 CFIDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C1C2CC3CC(C2)CC1C3 ZINC000160196881 296026998 /nfs/dbraw/zinc/02/69/98/296026998.db2.gz VWGVGYXHSHPERB-NNKSGKNISA-N 1 0 290.451 2.787 20 70 CFIDRO Cc1nccc(NC(=O)NCC[NH+]2CCCCC2)c1Cl ZINC000159703074 541008188 /nfs/dbraw/zinc/00/81/88/541008188.db2.gz WLLGHFAZHJMCCC-UHFFFAOYSA-N 1 0 296.802 2.651 20 70 CFIDRO CCCC(=O)Nc1cccc(C[NH2+][C@@H](COC)C2CC2)c1 ZINC000159944106 541018766 /nfs/dbraw/zinc/01/87/66/541018766.db2.gz PMNASOWUKKKWDO-INIZCTEOSA-N 1 0 290.407 2.940 20 70 CFIDRO COc1ccc([C@@H](C)[N@H+](C)CCCCS(C)(=O)=O)cc1 ZINC000161335170 541590609 /nfs/dbraw/zinc/59/06/09/541590609.db2.gz GUTJGSOEYBCQMT-CYBMUJFWSA-N 1 0 299.436 2.513 20 70 CFIDRO CCC[N@@H+](Cc1cncnc1)C[C@H]1COc2ccccc2O1 ZINC000161410075 541627799 /nfs/dbraw/zinc/62/77/99/541627799.db2.gz GFOHCWDQBHVQFR-HNNXBMFYSA-N 1 0 299.374 2.529 20 70 CFIDRO C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)N1CCc2ccccc21 ZINC000159904077 378737221 /nfs/dbraw/zinc/73/72/21/378737221.db2.gz BWALXUPBBQXJRV-BFYDXBDKSA-N 1 0 287.451 2.510 20 70 CFIDRO CC(C)(C)c1nsc(N2CCC([NH2+]C3CC3)CC2)n1 ZINC000160026647 378743354 /nfs/dbraw/zinc/74/33/54/378743354.db2.gz IMTXAMZRWAUHMZ-UHFFFAOYSA-N 1 0 280.441 2.556 20 70 CFIDRO C[C@@H]([NH2+]CCC(C)(C)O)c1nc(-c2cccc(F)c2)no1 ZINC000160032108 378743675 /nfs/dbraw/zinc/74/36/75/378743675.db2.gz QUPUPOAWCDPUAB-SNVBAGLBSA-N 1 0 293.342 2.687 20 70 CFIDRO Cc1cc(C(=O)NCC(C)(C)[NH3+])c(C)n1Cc1ccccc1 ZINC000160016066 378744000 /nfs/dbraw/zinc/74/40/00/378744000.db2.gz FHLKWMFKHVYCIG-UHFFFAOYSA-N 1 0 299.418 2.620 20 70 CFIDRO CC(C)([NH3+])C(=O)NCC(C)(C)c1ccc(F)cc1Cl ZINC000160042131 378745407 /nfs/dbraw/zinc/74/54/07/378745407.db2.gz OPZVEKOQSWWPHP-UHFFFAOYSA-N 1 0 286.778 2.610 20 70 CFIDRO CC[C@H](C)N(C)CC[NH2+]C1CCN(c2ccccc2)CC1 ZINC000160114637 378750612 /nfs/dbraw/zinc/75/06/12/378750612.db2.gz TVHJJQNZKVVJAB-INIZCTEOSA-N 1 0 289.467 2.975 20 70 CFIDRO Cc1cc(NCCCNC(=O)OC(C)(C)C)cc[nH+]1 ZINC000160170243 378754175 /nfs/dbraw/zinc/75/41/75/378754175.db2.gz XYGDXTSKZUASFM-UHFFFAOYSA-N 1 0 265.357 2.717 20 70 CFIDRO O=C1CCCN1CCC[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000159567179 378717307 /nfs/dbraw/zinc/71/73/07/378717307.db2.gz LSPASKMMRASXAY-OAHLLOKOSA-N 1 0 292.810 2.929 20 70 CFIDRO CC[C@@H]([NH2+]CCCN1CCCC1=O)c1ccc(F)cc1 ZINC000159561383 378717823 /nfs/dbraw/zinc/71/78/23/378717823.db2.gz OXVOGYSKYDYOBR-OAHLLOKOSA-N 1 0 278.371 2.879 20 70 CFIDRO CN(Cc1ccc(C(F)(F)F)cc1)[C@@H](C[NH3+])C1CC1 ZINC000159659735 378722656 /nfs/dbraw/zinc/72/26/56/378722656.db2.gz JMZQAZHMBGNOKB-ZDUSSCGKSA-N 1 0 272.314 2.875 20 70 CFIDRO COc1ccc([C@@H](CCC(C)C)[NH2+]CCO)cc1 ZINC000159677929 378724375 /nfs/dbraw/zinc/72/43/75/378724375.db2.gz VUURSZBHQFPDEO-OAHLLOKOSA-N 1 0 251.370 2.754 20 70 CFIDRO C[N@H+](CCOc1cccc(Cl)c1)CCn1ccnc1 ZINC000159689961 378724448 /nfs/dbraw/zinc/72/44/48/378724448.db2.gz TUKPHIUZFHFEDV-UHFFFAOYSA-N 1 0 279.771 2.547 20 70 CFIDRO C[C@H]([NH2+]Cc1cc2ccccc2o1)C(=O)NC(C)(C)C ZINC000159699408 378724649 /nfs/dbraw/zinc/72/46/49/378724649.db2.gz NMISMORPIYEPGU-NSHDSACASA-N 1 0 274.364 2.826 20 70 CFIDRO COc1cc([C@H](C)[NH2+]CCO)ccc1SC(F)F ZINC000159713972 378725820 /nfs/dbraw/zinc/72/58/20/378725820.db2.gz SKIVCAJPORCNBP-QMMMGPOBSA-N 1 0 277.336 2.653 20 70 CFIDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)N2CCCC2)c(C)c1 ZINC000159728743 378727318 /nfs/dbraw/zinc/72/73/18/378727318.db2.gz GREHKWPMUCTKOT-CABCVRRESA-N 1 0 274.408 2.965 20 70 CFIDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)N2CCCC2)c(C)c1 ZINC000159729000 378727333 /nfs/dbraw/zinc/72/73/33/378727333.db2.gz GREHKWPMUCTKOT-HUUCEWRRSA-N 1 0 274.408 2.965 20 70 CFIDRO CC[C@@H](NC(=O)[C@@H]1CCCC[NH2+]1)c1ccc(F)cc1F ZINC000159728319 378727890 /nfs/dbraw/zinc/72/78/90/378727890.db2.gz MLORBGCQOHISPZ-KGLIPLIRSA-N 1 0 282.334 2.674 20 70 CFIDRO CN(CC(C)(C)C[NH3+])C(=O)C1C2CC3CC(C2)CC1C3 ZINC000160207310 378756608 /nfs/dbraw/zinc/75/66/08/378756608.db2.gz DJTQOVVGCXYLGY-UHFFFAOYSA-N 1 0 278.440 2.502 20 70 CFIDRO C[C@@H]([NH2+]C[C@H](C)N1CCc2ccccc2C1)c1cnn(C)c1 ZINC000159809237 378731781 /nfs/dbraw/zinc/73/17/81/378731781.db2.gz DWCYNWDWOZWLKH-LSDHHAIUSA-N 1 0 298.434 2.518 20 70 CFIDRO O=C(C1CC[NH2+]CC1)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000159807681 378732345 /nfs/dbraw/zinc/73/23/45/378732345.db2.gz SJHUAHFOBOQLGU-AWEZNQCLSA-N 1 0 292.810 2.656 20 70 CFIDRO C[C@H](CC1CC1)NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000159843848 378734136 /nfs/dbraw/zinc/73/41/36/378734136.db2.gz YTGUDDYNTSIBKG-ZBFHGGJFSA-N 1 0 293.455 2.835 20 70 CFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](CC(C)C)c1ccccn1)CC2 ZINC000160323739 378763443 /nfs/dbraw/zinc/76/34/43/378763443.db2.gz YWJSOMDVLDJQSG-ZBFHGGJFSA-N 1 0 299.422 2.673 20 70 CFIDRO COc1cc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)ccc1F ZINC000160354764 378765085 /nfs/dbraw/zinc/76/50/85/378765085.db2.gz UPBUNYUICFABHT-BPNCWPANSA-N 1 0 292.354 2.694 20 70 CFIDRO C[NH+](C)C[C@H]1CCN(C(=O)c2ccc(F)c(Cl)c2)C1 ZINC000160366245 378766264 /nfs/dbraw/zinc/76/62/64/378766264.db2.gz SNHDMSOYECPJNN-SNVBAGLBSA-N 1 0 284.762 2.503 20 70 CFIDRO CC1(C)C[C@H]([NH2+]Cc2cccnc2Cl)CCO1 ZINC000160440165 378772712 /nfs/dbraw/zinc/77/27/12/378772712.db2.gz YSKVRXXAUZJNNK-LLVKDONJSA-N 1 0 254.761 2.782 20 70 CFIDRO CC(C)[C@H](C)[NH2+]Cc1ccccc1CN1CCOCC1 ZINC000160441085 378772920 /nfs/dbraw/zinc/77/29/20/378772920.db2.gz YWVPWLISUCRKSA-HNNXBMFYSA-N 1 0 276.424 2.653 20 70 CFIDRO Cc1ccsc1C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000160456128 378773864 /nfs/dbraw/zinc/77/38/64/378773864.db2.gz KCQIDMIBYOUEEK-CYBMUJFWSA-N 1 0 280.437 2.907 20 70 CFIDRO COc1cccc(C[NH2+][C@H]2CCOC(C)(C)C2)c1OC ZINC000160470289 378774830 /nfs/dbraw/zinc/77/48/30/378774830.db2.gz WKUDQKNEACIJTL-ZDUSSCGKSA-N 1 0 279.380 2.751 20 70 CFIDRO Cc1cccc([C@@H](C)[NH2+]CC(=O)NCC(F)(F)F)c1C ZINC000160536352 378778509 /nfs/dbraw/zinc/77/85/09/378778509.db2.gz KQEBZLZFXUCZBL-LLVKDONJSA-N 1 0 288.313 2.633 20 70 CFIDRO CSCCC[NH2+]Cc1cncc(Br)c1 ZINC000160577916 378782197 /nfs/dbraw/zinc/78/21/97/378782197.db2.gz LTGAMIGBXNWHKY-UHFFFAOYSA-N 1 0 275.215 2.687 20 70 CFIDRO CCc1nnc(C[NH2+][C@@H](C)[C@H](C)c2ccccc2)[nH]1 ZINC000160563559 378782819 /nfs/dbraw/zinc/78/28/19/378782819.db2.gz BICDJGAHAHBNRZ-RYUDHWBXSA-N 1 0 258.369 2.649 20 70 CFIDRO C[C@H]1CCC[C@H](C(=O)NCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000160578553 378784186 /nfs/dbraw/zinc/78/41/86/378784186.db2.gz PYJCCNULNVXIDJ-KKUMJFAQSA-N 1 0 266.429 2.803 20 70 CFIDRO COc1ccc([C@H](C)[C@H](C)[NH2+]CC(C)(C)O)cc1 ZINC000160629886 378785924 /nfs/dbraw/zinc/78/59/24/378785924.db2.gz GZZHSZHTEZYIFF-NEPJUHHUSA-N 1 0 251.370 2.548 20 70 CFIDRO Cc1cc2c(cc1C)[C@H]([NH2+]CC(C)(C)O)CCCO2 ZINC000160623699 378786387 /nfs/dbraw/zinc/78/63/87/378786387.db2.gz SZHYYTOXVDLKIU-CQSZACIVSA-N 1 0 263.381 2.878 20 70 CFIDRO CCO[C@H]1C[C@H]([NH2+]CC2(N(C)C)CCCC2)C12CCC2 ZINC000160685983 378791483 /nfs/dbraw/zinc/79/14/83/378791483.db2.gz DIZIAYMVQKQBDX-GJZGRUSLSA-N 1 0 280.456 2.798 20 70 CFIDRO COc1ccc(C[N@H+](C)C[C@@H]2CCOC2)cc1Cl ZINC000160685268 378791885 /nfs/dbraw/zinc/79/18/85/378791885.db2.gz HDFNFLIEPPDYOS-LBPRGKRZSA-N 1 0 269.772 2.817 20 70 CFIDRO CCCC1(C[NH2+][C@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000160772360 378796901 /nfs/dbraw/zinc/79/69/01/378796901.db2.gz YCVDBEYEMCFWOH-ZDUSSCGKSA-N 1 0 264.344 2.522 20 70 CFIDRO CC(C)[C@@H](NC(=O)[C@@H](C)[NH3+])c1ccccc1Cl ZINC000160829636 378801506 /nfs/dbraw/zinc/80/15/06/378801506.db2.gz VHLDHUPSFIXELI-BXKDBHETSA-N 1 0 254.761 2.501 20 70 CFIDRO CC[C@@H](C)NC(=O)CC[NH2+]Cc1ccc(Cl)cc1F ZINC000160784097 378798070 /nfs/dbraw/zinc/79/80/70/378798070.db2.gz SVALSOWYFMRCTF-SNVBAGLBSA-N 1 0 286.778 2.874 20 70 CFIDRO CC[C@]1(C)CCCN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000160776574 378798548 /nfs/dbraw/zinc/79/85/48/378798548.db2.gz KMJCUJAUJFNLGP-FUHWJXTLSA-N 1 0 286.419 2.740 20 70 CFIDRO CCCC1(C[NH2+][C@@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000160772479 378798979 /nfs/dbraw/zinc/79/89/79/378798979.db2.gz YCVDBEYEMCFWOH-CYBMUJFWSA-N 1 0 264.344 2.522 20 70 CFIDRO Cc1noc(C)c1[C@@H](C)CC(=O)N(CC[NH+](C)C)C(C)C ZINC000161182848 378829005 /nfs/dbraw/zinc/82/90/05/378829005.db2.gz GRYKUPKWOBMYOD-LBPRGKRZSA-N 1 0 295.427 2.584 20 70 CFIDRO CCCC[C@H](CC)CC(=O)N1CCC[C@H]1C[NH2+]C ZINC000161238959 378832562 /nfs/dbraw/zinc/83/25/62/378832562.db2.gz ADIOPAGAZJGAAN-KBPBESRZSA-N 1 0 254.418 2.803 20 70 CFIDRO CCSCc1ccc(C(=O)N2CCC[C@H]2C[NH2+]C)cc1 ZINC000161247181 378832952 /nfs/dbraw/zinc/83/29/52/378832952.db2.gz FPVIZFURMLNXTE-HNNXBMFYSA-N 1 0 292.448 2.764 20 70 CFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)/C=C/c1ccccc1Cl ZINC000161248840 378833685 /nfs/dbraw/zinc/83/36/85/378833685.db2.gz CWYVJVMAYBGNNA-XEHSLEBBSA-N 1 0 278.783 2.564 20 70 CFIDRO C[C@H]([NH2+][C@H]1CCO[C@@]2(CCSC2)C1)c1ccccn1 ZINC000160850710 378804257 /nfs/dbraw/zinc/80/42/57/378804257.db2.gz DCOJBECXWZAPEF-YDHLFZDLSA-N 1 0 278.421 2.787 20 70 CFIDRO Cc1nccc(N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000160867589 378805312 /nfs/dbraw/zinc/80/53/12/378805312.db2.gz RNZKLYKKNXOYIK-CZUORRHYSA-N 1 0 282.391 2.860 20 70 CFIDRO CC[C@H]([NH2+][C@H]1CCN(C(C)C)C1=O)c1ccc(F)cc1 ZINC000160928666 378809629 /nfs/dbraw/zinc/80/96/29/378809629.db2.gz YPAJHDWTYKZUIT-GJZGRUSLSA-N 1 0 278.371 2.876 20 70 CFIDRO O=C([C@@H]1CCC[NH2+]C1)N(Cc1ccc(F)cc1)CC1CC1 ZINC000160910616 378809742 /nfs/dbraw/zinc/80/97/42/378809742.db2.gz IRSNZVXAXMDLEF-OAHLLOKOSA-N 1 0 290.382 2.564 20 70 CFIDRO Cc1cc(NCCc2ccc3c(c2)OCCO3)cc[nH+]1 ZINC000160916711 378809833 /nfs/dbraw/zinc/80/98/33/378809833.db2.gz VLMWNHOIGBASJB-UHFFFAOYSA-N 1 0 270.332 2.816 20 70 CFIDRO CC[C@H]([NH2+][C@@H]1CCN(C(C)C)C1=O)c1ccc(F)cc1 ZINC000160928413 378810291 /nfs/dbraw/zinc/81/02/91/378810291.db2.gz YPAJHDWTYKZUIT-LSDHHAIUSA-N 1 0 278.371 2.876 20 70 CFIDRO O=C(CC[NH2+]Cc1cc(F)cc(Cl)c1)N1CCCCC1 ZINC000160982509 378813304 /nfs/dbraw/zinc/81/33/04/378813304.db2.gz VYGAINXGQQNZRE-UHFFFAOYSA-N 1 0 298.789 2.971 20 70 CFIDRO CC[C@@H](C)N(C)C(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000160968237 378813724 /nfs/dbraw/zinc/81/37/24/378813724.db2.gz KZLMKNUICDEPDP-CABCVRRESA-N 1 0 283.460 2.937 20 70 CFIDRO CC(C)([NH3+])C(=O)Nc1cc(C2CCCCCC2)[nH]n1 ZINC000161070952 378819282 /nfs/dbraw/zinc/81/92/82/378819282.db2.gz JCISEDDDRGOBQR-UHFFFAOYSA-N 1 0 264.373 2.523 20 70 CFIDRO CC(C)[NH+](CCSCc1cc(=O)c(O)co1)C(C)C ZINC000161066798 378820181 /nfs/dbraw/zinc/82/01/81/378820181.db2.gz RXDWWWOTJYGVGS-UHFFFAOYSA-N 1 0 285.409 2.697 20 70 CFIDRO CCCn1ccc2ccc(NC(=O)[C@H]3CCC[NH2+]C3)cc21 ZINC000161282230 378836035 /nfs/dbraw/zinc/83/60/35/378836035.db2.gz OADRDOSIODRGKT-AWEZNQCLSA-N 1 0 285.391 2.989 20 70 CFIDRO Cc1ccc([C@@H](C)CNC(=O)[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000161168579 378828060 /nfs/dbraw/zinc/82/80/60/378828060.db2.gz WGDSCPBOEDAWAX-YJBOKZPZSA-N 1 0 296.414 2.785 20 70 CFIDRO Cc1ncc([C@@H](C)[NH2+]C[C@@H](CO)c2ccccc2)c(C)n1 ZINC000161469566 378849503 /nfs/dbraw/zinc/84/95/03/378849503.db2.gz KVGFVHFLAOLTLI-WBMJQRKESA-N 1 0 285.391 2.520 20 70 CFIDRO COCC[C@@H](C)[NH2+]C[C@@H](C)COCc1ccccc1 ZINC000161309261 378837243 /nfs/dbraw/zinc/83/72/43/378837243.db2.gz GKMDJAPCHCUZLS-HUUCEWRRSA-N 1 0 265.397 2.854 20 70 CFIDRO C[C@@H]([NH2+]C[C@H](C)COCc1ccccc1)[C@@H]1CCOC1 ZINC000161297163 378838021 /nfs/dbraw/zinc/83/80/21/378838021.db2.gz ZRWNNBXTZCHYAY-ZMSDIMECSA-N 1 0 277.408 2.854 20 70 CFIDRO CC[C@H](C)C[N@H+](CC)[C@@H](C)C(=O)N1CCCCC1 ZINC000160585548 322340031 /nfs/dbraw/zinc/34/00/31/322340031.db2.gz VDJUWNDEOKWSBA-KBPBESRZSA-N 1 0 254.418 2.755 20 70 CFIDRO CS[C@@H](C)CC(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000160718405 322341562 /nfs/dbraw/zinc/34/15/62/322341562.db2.gz XDHMKKXIZKPOFJ-ZDUSSCGKSA-N 1 0 286.485 2.708 20 70 CFIDRO CC[C@H]1CO[C@H](C)C[N@@H+]1C[C@@H](O)c1cc2ccccc2o1 ZINC000216972076 382785045 /nfs/dbraw/zinc/78/50/45/382785045.db2.gz RSZWYTFDHSCRNK-VHDGCEQUSA-N 1 0 289.375 2.966 20 70 CFIDRO CC[C@@H]1CO[C@@H](C)C[N@@H+]1C[C@@H](O)c1cc2ccccc2o1 ZINC000216972033 382785350 /nfs/dbraw/zinc/78/53/50/382785350.db2.gz RSZWYTFDHSCRNK-NWANDNLSSA-N 1 0 289.375 2.966 20 70 CFIDRO CCOc1cc(CNCC[N@H+](C)[C@H](C)CC)ccc1OC ZINC000217378809 382786432 /nfs/dbraw/zinc/78/64/32/382786432.db2.gz BKXAPVYFEVIGES-CQSZACIVSA-N 1 0 294.439 2.914 20 70 CFIDRO C[C@H]([NH2+]Cc1cccc2cc[nH]c21)C(=O)NC(C)(C)C ZINC000218157501 382789293 /nfs/dbraw/zinc/78/92/93/382789293.db2.gz FLTLOLIMMWSREN-NSHDSACASA-N 1 0 273.380 2.561 20 70 CFIDRO Cc1nc(CC[NH2+]Cc2nn(C)c3ccccc23)cs1 ZINC000218099151 382789579 /nfs/dbraw/zinc/78/95/79/382789579.db2.gz HKIZDORZQFQRGP-UHFFFAOYSA-N 1 0 286.404 2.671 20 70 CFIDRO C[NH2+][C@H]1CCN(C(=O)CCCc2cc(C)sc2C)C1 ZINC000160811261 533030821 /nfs/dbraw/zinc/03/08/21/533030821.db2.gz XNQKENCNKJKFFT-AWEZNQCLSA-N 1 0 280.437 2.508 20 70 CFIDRO CC[N@@H+]1CCCN(C(=O)N[C@H]2CCCCC2(C)C)CC1 ZINC000159976498 285214969 /nfs/dbraw/zinc/21/49/69/285214969.db2.gz DMQHMHFEEFLPBS-AWEZNQCLSA-N 1 0 281.444 2.692 20 70 CFIDRO Cc1ccc(OCC[N@@H+](C)C[C@H](O)Cc2ccccc2)cc1 ZINC000218763353 393758402 /nfs/dbraw/zinc/75/84/02/393758402.db2.gz YFDPYQCUICPBTQ-GOSISDBHSA-N 1 0 299.414 2.909 20 70 CFIDRO C[C@H]([NH3+])C(=O)N[C@@H](CC1CCCCC1)C(C)(C)C ZINC000160073237 394366036 /nfs/dbraw/zinc/36/60/36/394366036.db2.gz BFMGYLUCCGFUCA-AAEUAGOBSA-N 1 0 254.418 2.835 20 70 CFIDRO CC1(C)C[C@@H]([NH2+]Cc2c[nH]nc2-c2cccnc2)CCO1 ZINC000160511600 394366360 /nfs/dbraw/zinc/36/63/60/394366360.db2.gz RIMAIMYBPBHMKQ-AWEZNQCLSA-N 1 0 286.379 2.519 20 70 CFIDRO CC[C@H](C)[NH2+][C@@H](CN1CCCC1=O)c1ccccc1 ZINC000160738869 394366919 /nfs/dbraw/zinc/36/69/19/394366919.db2.gz RRHQBVMUSFUEMP-ZFWWWQNUSA-N 1 0 260.381 2.738 20 70 CFIDRO CCO[C@@H]1C[C@H]([NH2+]CC2(N(C)C)CCCC2)C12CCC2 ZINC000160685847 286384583 /nfs/dbraw/zinc/38/45/83/286384583.db2.gz DIZIAYMVQKQBDX-LSDHHAIUSA-N 1 0 280.456 2.798 20 70 CFIDRO CCO[C@H]1C[C@@H]([NH2+]CC2(N(C)C)CCCC2)C12CCC2 ZINC000160686254 286490634 /nfs/dbraw/zinc/49/06/34/286490634.db2.gz DIZIAYMVQKQBDX-CABCVRRESA-N 1 0 280.456 2.798 20 70 CFIDRO CC(C)[C@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)NCC(F)(F)F ZINC000159842376 276026181 /nfs/dbraw/zinc/02/61/81/276026181.db2.gz OHBYTFGPFOFZQE-QJPTWQEYSA-N 1 0 294.361 2.858 20 70 CFIDRO CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000161385661 276573829 /nfs/dbraw/zinc/57/38/29/276573829.db2.gz XRBMSHORXHVCBE-DLBZAZTESA-N 1 0 288.435 2.917 20 70 CFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C)Sc1ccc(C)cc1 ZINC000161305528 277277671 /nfs/dbraw/zinc/27/76/71/277277671.db2.gz JXGRJSGMOBKKCS-KBPBESRZSA-N 1 0 292.448 2.686 20 70 CFIDRO C[C@@H](CNC(=O)C1(C[NH3+])CCCC1)Sc1ccccc1 ZINC000161116698 277581017 /nfs/dbraw/zinc/58/10/17/277581017.db2.gz KZWDFPIBPWDSCB-ZDUSSCGKSA-N 1 0 292.448 2.803 20 70 CFIDRO CC(C)[C@@H](c1ccccc1)N(C)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000159756546 277766909 /nfs/dbraw/zinc/76/69/09/277766909.db2.gz XNXNVVBESNOFGN-CVEARBPZSA-N 1 0 274.408 2.842 20 70 CFIDRO CSC[C@H](CCO)[NH2+][C@@H]1CCc2c1cccc2C ZINC000160185999 278137288 /nfs/dbraw/zinc/13/72/88/278137288.db2.gz ZELMPIIGXYYHNY-SWLSCSKDSA-N 1 0 265.422 2.686 20 70 CFIDRO C[C@H](CCc1ccco1)[NH2+][C@H]1CCCc2[nH]c(=O)ccc21 ZINC000160963641 279275131 /nfs/dbraw/zinc/27/51/31/279275131.db2.gz UFYSXOKPKQGUDR-DOMZBBRYSA-N 1 0 286.375 2.956 20 70 CFIDRO [NH3+]C1(CNC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)CCCCC1 ZINC000159467118 279617784 /nfs/dbraw/zinc/61/77/84/279617784.db2.gz IQTVMLBTJJKHDK-HUUCEWRRSA-N 1 0 290.382 2.707 20 70 CFIDRO CC(C)[C@@H](C)[NH2+][C@H](CN1CCCC1=O)c1ccccc1 ZINC000160683785 279824187 /nfs/dbraw/zinc/82/41/87/279824187.db2.gz XYNBSQUWTUNKKJ-GDBMZVCRSA-N 1 0 274.408 2.984 20 70 CFIDRO C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000159802974 280016295 /nfs/dbraw/zinc/01/62/95/280016295.db2.gz FRONBGOBJUXJHC-CORIIIEPSA-N 1 0 292.398 2.904 20 70 CFIDRO CC[C@@H](NCC1([NH+]2CCCCC2)CCCCC1)C(=O)OC ZINC000159478211 280185756 /nfs/dbraw/zinc/18/57/56/280185756.db2.gz HNSCMTXHEXTQIW-OAHLLOKOSA-N 1 0 296.455 2.716 20 70 CFIDRO Cc1cc2cc(NC(=O)[C@@]3(C)CCC[NH2+]C3)ccc2[nH]1 ZINC000161334529 280695573 /nfs/dbraw/zinc/69/55/73/280695573.db2.gz LPEZXZZXEONDML-INIZCTEOSA-N 1 0 271.364 2.805 20 70 CFIDRO C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCSC2)C1)c1ccncc1 ZINC000160987664 290022783 /nfs/dbraw/zinc/02/27/83/290022783.db2.gz XMDLKPYBIMJYKJ-CFVMTHIKSA-N 1 0 278.421 2.787 20 70 CFIDRO CSC[C@H](CCO)[NH2+][C@@H]1CCCOc2ccc(C)cc21 ZINC000160275593 295623271 /nfs/dbraw/zinc/62/32/71/295623271.db2.gz JDKKXKGZPVVZEI-DZGCQCFKSA-N 1 0 295.448 2.912 20 70 CFIDRO [NH3+]CC[C@H]1CCCCN1C(=O)C1C2CC3CC(C2)CC1C3 ZINC000160200615 303388964 /nfs/dbraw/zinc/38/89/64/303388964.db2.gz CARCSYOYBMAKPN-OBYDGYHJSA-N 1 0 290.451 2.789 20 70 CFIDRO CC(C)CC[C@](C)(O)C[NH2+]C1Cc2ccccc2C1 ZINC000159404084 322322303 /nfs/dbraw/zinc/32/23/03/322322303.db2.gz CFMRHOQZOPSZOI-KRWDZBQOSA-N 1 0 261.409 2.931 20 70 CFIDRO CC(C)CC[C@@](C)(O)C[NH2+][C@@H](C)CC1CCOCC1 ZINC000159443261 322322937 /nfs/dbraw/zinc/32/29/37/322322937.db2.gz JLFSNPJDDJHQQF-GOEBONIOSA-N 1 0 271.445 2.968 20 70 CFIDRO CC(C)=CCC[C@H](C)[NH2+]CCCN1CCCC1=O ZINC000159497137 322323451 /nfs/dbraw/zinc/32/34/51/322323451.db2.gz DYPPUJHKQCDOEZ-AWEZNQCLSA-N 1 0 252.402 2.723 20 70 CFIDRO CCC(CC)(C[NH2+]Cc1cccc(F)c1)C(=O)OC ZINC000159657385 322326415 /nfs/dbraw/zinc/32/64/15/322326415.db2.gz AIGCIRFYVGKOPE-UHFFFAOYSA-N 1 0 267.344 2.895 20 70 CFIDRO Cc1cc(C)c(C(=O)NCCC[N@@H+](C)Cc2ccccc2)[nH]1 ZINC000159693438 322326690 /nfs/dbraw/zinc/32/66/90/322326690.db2.gz ZCCNBOVPIRRMTQ-UHFFFAOYSA-N 1 0 299.418 2.883 20 70 CFIDRO Cc1[nH]c2ccc(C(=O)N(C)[C@@H](C[NH3+])C3CC3)cc2c1C ZINC000159802041 322328850 /nfs/dbraw/zinc/32/88/50/322328850.db2.gz DIBVRCUAERMGLD-INIZCTEOSA-N 1 0 285.391 2.594 20 70 CFIDRO CCCn1c(C)nnc1CN1C[C@H](C)CC[C@@H]1C ZINC000160107785 322333131 /nfs/dbraw/zinc/33/31/31/322333131.db2.gz BGWYWLXQHSOIPB-NEPJUHHUSA-N 1 0 250.390 2.617 20 70 CFIDRO CC[N@H+](Cc1ccc(C(=O)Nc2cn[nH]c2)cc1)C(C)C ZINC000160126813 322333142 /nfs/dbraw/zinc/33/31/42/322333142.db2.gz FXEXXZJZAQUORY-UHFFFAOYSA-N 1 0 286.379 2.892 20 70 CFIDRO C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@@H](C)C1CC1 ZINC000160135500 322333428 /nfs/dbraw/zinc/33/34/28/322333428.db2.gz DGRXJEAXPVYJGZ-OLZOCXBDSA-N 1 0 252.402 2.556 20 70 CFIDRO CC[C@H](C[NH2+][C@@H](COC)C1CC1)Oc1ccccc1F ZINC000160342299 322336999 /nfs/dbraw/zinc/33/69/99/322336999.db2.gz ZCGSHYWUJKXKFZ-HIFRSBDPSA-N 1 0 281.371 2.998 20 70 CFIDRO Cc1c([C@@H](C)[NH2+]CC(C)(C)O)cnn1-c1ccc(F)cc1 ZINC000160607790 322340693 /nfs/dbraw/zinc/34/06/93/322340693.db2.gz RJAPSFGWLXHJGU-LLVKDONJSA-N 1 0 291.370 2.741 20 70 CFIDRO CS[C@H](C)CC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000160777918 322342731 /nfs/dbraw/zinc/34/27/31/322342731.db2.gz UZHWYGPDGNDEKL-NFAWXSAZSA-N 1 0 286.485 2.755 20 70 CFIDRO C[C@H]1C[NH+](Cc2cnc3ccccn23)C[C@H](C)S1 ZINC000160814749 322343470 /nfs/dbraw/zinc/34/34/70/322343470.db2.gz XHRXGPQSFMRVHM-RYUDHWBXSA-N 1 0 261.394 2.660 20 70 CFIDRO Cc1nc2ccccn2c1C[NH+]1C[C@H](C)S[C@@H](C)C1 ZINC000160815384 322343640 /nfs/dbraw/zinc/34/36/40/322343640.db2.gz NNZBKZKAGJBPPE-RYUDHWBXSA-N 1 0 275.421 2.969 20 70 CFIDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCC2(C3CC3)CCC2)C1 ZINC000160908009 322344772 /nfs/dbraw/zinc/34/47/72/322344772.db2.gz HBPINHLWWJLLAF-HUUCEWRRSA-N 1 0 293.455 2.739 20 70 CFIDRO Cc1ccc(C[C@H]([NH2+]CC(=O)NC(C)C)C(C)C)cc1 ZINC000160994901 322345761 /nfs/dbraw/zinc/34/57/61/322345761.db2.gz YLKWQKUYBNRERW-INIZCTEOSA-N 1 0 276.424 2.676 20 70 CFIDRO CS[C@H](C)CC(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000160992172 322346042 /nfs/dbraw/zinc/34/60/42/322346042.db2.gz ZGVCRZHSPVVLPW-XJFOESAGSA-N 1 0 286.485 2.611 20 70 CFIDRO C[C@@H]([NH2+]CCc1ccc2c(c1)OCO2)c1cncc(F)c1 ZINC000161140519 322348294 /nfs/dbraw/zinc/34/82/94/322348294.db2.gz CVCLURJXPADEJE-LLVKDONJSA-N 1 0 288.322 2.843 20 70 CFIDRO CCC[N@H+](CCO)Cc1cccc(OC(F)(F)F)c1 ZINC000161229266 322349173 /nfs/dbraw/zinc/34/91/73/322349173.db2.gz UATZOQRCGRFAJZ-UHFFFAOYSA-N 1 0 277.286 2.790 20 70 CFIDRO CC(C)[C@H]([NH2+]CCCCS(C)(=O)=O)c1ccccc1 ZINC000161280237 322349804 /nfs/dbraw/zinc/34/98/04/322349804.db2.gz FBSOIRHQMBGJIT-HNNXBMFYSA-N 1 0 283.437 2.798 20 70 CFIDRO CCc1cccc(CC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000161499223 322352467 /nfs/dbraw/zinc/35/24/67/322352467.db2.gz QDRIIGKQRVAXJS-IRXDYDNUSA-N 1 0 288.435 2.781 20 70 CFIDRO CO[C@]1(C[NH2+]CC[C@H](C)c2ccccc2)CCOC1 ZINC000160079631 521769656 /nfs/dbraw/zinc/76/96/56/521769656.db2.gz DXNOXQKWOSYIBC-HOCLYGCPSA-N 1 0 263.381 2.575 20 70 CFIDRO CC(C)(C)c1nsc(N2CCc3c[nH+]ccc32)n1 ZINC000159851321 519141194 /nfs/dbraw/zinc/14/11/94/519141194.db2.gz XWZGJJGSGREOLQ-UHFFFAOYSA-N 1 0 260.366 2.925 20 70 CFIDRO CC(C)[N@H+](Cc1cnc2ccccn12)C1CCOCC1 ZINC000160566372 519662882 /nfs/dbraw/zinc/66/28/82/519662882.db2.gz YWKCYGOPUNIRCT-UHFFFAOYSA-N 1 0 273.380 2.724 20 70 CFIDRO CC(C)Oc1ccc(C[NH2+][C@@H](C)C2CCOCC2)cn1 ZINC000160108021 519779814 /nfs/dbraw/zinc/77/98/14/519779814.db2.gz IXKQZQZANKTTJQ-ZDUSSCGKSA-N 1 0 278.396 2.774 20 70 CFIDRO Cc1ccsc1CCCC(=O)NC1CC[NH+](C)CC1 ZINC000159854328 534460066 /nfs/dbraw/zinc/46/00/66/534460066.db2.gz HHDPVGRNQFODFP-UHFFFAOYSA-N 1 0 280.437 2.590 20 70 CFIDRO CCO[C@@H]1C[C@H]([NH2+]CC2(CO)CCCC2)C12CCCC2 ZINC000160087213 520423526 /nfs/dbraw/zinc/42/35/26/520423526.db2.gz RZGHHZOPMYZTFU-LSDHHAIUSA-N 1 0 281.440 2.867 20 70 CFIDRO CC1(C)C[C@@H]([NH2+]CC[S@](=O)c2ccccc2)C(C)(C)O1 ZINC000160788015 520524568 /nfs/dbraw/zinc/52/45/68/520524568.db2.gz JALFFFIYLOPXHO-JLTOFOAXSA-N 1 0 295.448 2.730 20 70 CFIDRO CC[NH+](CC)CCCNc1nnc(C(F)(F)F)s1 ZINC000160319754 520624342 /nfs/dbraw/zinc/62/43/42/520624342.db2.gz NNSDBHROMLRHCF-UHFFFAOYSA-N 1 0 282.335 2.701 20 70 CFIDRO CCC(CC)(C[NH2+]C1C[C@H](C)O[C@@H](C)C1)C(=O)OC ZINC000161257450 521440631 /nfs/dbraw/zinc/44/06/31/521440631.db2.gz NVTDFTJKUQTOKU-RYUDHWBXSA-N 1 0 271.401 2.511 20 70 CFIDRO CCN1CCCC[C@@H]1C[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000161208937 521595967 /nfs/dbraw/zinc/59/59/67/521595967.db2.gz UDPKPDUOBDFZNS-DZGCQCFKSA-N 1 0 290.407 2.940 20 70 CFIDRO CCN1CCCC[C@@H]1C[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000161204374 521596360 /nfs/dbraw/zinc/59/63/60/521596360.db2.gz FRXPJMSPHNVXBO-ZIAGYGMSSA-N 1 0 268.445 2.797 20 70 CFIDRO CCN1CCCC[C@H]1C[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000161209064 521602856 /nfs/dbraw/zinc/60/28/56/521602856.db2.gz UDPKPDUOBDFZNS-ZFWWWQNUSA-N 1 0 290.407 2.940 20 70 CFIDRO CCC([NH3+])(CC)CNC(=O)C[C@@H]1CCOc2ccccc21 ZINC000160423787 521649606 /nfs/dbraw/zinc/64/96/06/521649606.db2.gz FTDCSOSFELBLNA-ZDUSSCGKSA-N 1 0 290.407 2.577 20 70 CFIDRO CO[C@]1(C)C[C@@H]([N@H+](C)Cc2cnc3ccccn23)C1(C)C ZINC000160899177 521754592 /nfs/dbraw/zinc/75/45/92/521754592.db2.gz GRVSLKZOXLOPRS-RHSMWYFYSA-N 1 0 287.407 2.970 20 70 CFIDRO CC[C@H](Cc1ccccc1)N(C)C(=O)CC1CC[NH2+]CC1 ZINC000161106348 522306580 /nfs/dbraw/zinc/30/65/80/522306580.db2.gz MFFOYPNUPVPYRO-QGZVFWFLSA-N 1 0 288.435 2.856 20 70 CFIDRO COC[C@@H]([NH2+][C@@H](CCCO)c1ccccc1)C1CC1 ZINC000160916481 522375599 /nfs/dbraw/zinc/37/55/99/522375599.db2.gz SBGSJQOSERMLAM-JKSUJKDBSA-N 1 0 263.381 2.515 20 70 CFIDRO CC[C@H](NC(=O)N1CCC[N@H+](CC)CC1)c1cccs1 ZINC000159722086 522419403 /nfs/dbraw/zinc/41/94/03/522419403.db2.gz FPHLMIAGAMKWMJ-ZDUSSCGKSA-N 1 0 295.452 2.936 20 70 CFIDRO COc1cc(C[NH2+]C(C)(C)[C@@H](C)O)cc(Cl)c1OC ZINC000161122557 522439515 /nfs/dbraw/zinc/43/95/15/522439515.db2.gz LZVBKHPIWQOKHI-SECBINFHSA-N 1 0 287.787 2.606 20 70 CFIDRO COC[C@@H]1CCC[N@H+](Cc2c(C)nc3ccccn32)C1 ZINC000160394507 522457246 /nfs/dbraw/zinc/45/72/46/522457246.db2.gz AJLRPFAGACNAQJ-CQSZACIVSA-N 1 0 273.380 2.501 20 70 CFIDRO COC[C@H]([NH2+]C[C@H](C)N1CCc2ccccc2C1)C(C)C ZINC000159827166 522743954 /nfs/dbraw/zinc/74/39/54/522743954.db2.gz HNEVJNZEQUGBEJ-YJBOKZPZSA-N 1 0 290.451 2.694 20 70 CFIDRO CN(CCC[NH+]1CCCCC1)CCC(F)(F)F ZINC000161314585 522749822 /nfs/dbraw/zinc/74/98/22/522749822.db2.gz UXSPVOSKXHNHQZ-UHFFFAOYSA-N 1 0 252.324 2.747 20 70 CFIDRO CC[C@@H]([NH2+]CCCc1nc(C(C)C)no1)c1cnn(C)c1 ZINC000160760778 522830607 /nfs/dbraw/zinc/83/06/07/522830607.db2.gz YHZOWXRMLHPJJV-CYBMUJFWSA-N 1 0 291.399 2.600 20 70 CFIDRO CC[C@@H]([NH2+][C@H](CCO)CSC)c1ccc(OC)cc1 ZINC000160250476 522943548 /nfs/dbraw/zinc/94/35/48/522943548.db2.gz DGMBZNAJZZEWIC-UKRRQHHQSA-N 1 0 283.437 2.850 20 70 CFIDRO CC[C@@H](O)CC[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000217872199 522987471 /nfs/dbraw/zinc/98/74/71/522987471.db2.gz GZMGUDVATZLZBL-LLVKDONJSA-N 1 0 277.286 2.836 20 70 CFIDRO CCn1cc([C@H](C)[NH2+]C[C@@H]2CC(=O)Nc3ccccc32)cn1 ZINC000160645448 523473516 /nfs/dbraw/zinc/47/35/16/523473516.db2.gz GEYKXRFYRQYNKH-STQMWFEESA-N 1 0 298.390 2.680 20 70 CFIDRO CCc1ccc(CC(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000160360271 523909426 /nfs/dbraw/zinc/90/94/26/523909426.db2.gz QQUJZJLHBZHNRV-HNNXBMFYSA-N 1 0 288.435 2.782 20 70 CFIDRO CC[C@H](C)[N@H+](C)CCN[C@@H](C)c1cnn(C(C)C)c1 ZINC000160142203 523921513 /nfs/dbraw/zinc/92/15/13/523921513.db2.gz NTFFRXQFZYPFPT-KBPBESRZSA-N 1 0 266.433 2.845 20 70 CFIDRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(F)c(Cl)c1 ZINC000159561553 524342592 /nfs/dbraw/zinc/34/25/92/524342592.db2.gz UPZSIAWKMNDUHE-GXSJLCMTSA-N 1 0 284.762 2.565 20 70 CFIDRO C[C@@H]1CCC[C@H](C(=O)NCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000160578442 524346635 /nfs/dbraw/zinc/34/66/35/524346635.db2.gz PYJCCNULNVXIDJ-ILXRZTDVSA-N 1 0 266.429 2.803 20 70 CFIDRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cc2ccccc2s1 ZINC000159551307 524390407 /nfs/dbraw/zinc/39/04/07/524390407.db2.gz AVZDQJQPAXSBRC-AAEUAGOBSA-N 1 0 288.416 2.987 20 70 CFIDRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cnc(C(C)(C)C)s1 ZINC000159645784 524391588 /nfs/dbraw/zinc/39/15/88/524391588.db2.gz ILNOCXCICGYIEH-QWRGUYRKSA-N 1 0 295.452 2.526 20 70 CFIDRO C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)C[NH2+]CC1CC1 ZINC000159527696 524435677 /nfs/dbraw/zinc/43/56/77/524435677.db2.gz SFYWVOXRYLLPCS-APPDUMDISA-N 1 0 290.382 2.565 20 70 CFIDRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(F)c(Cl)c1 ZINC000159561433 524568379 /nfs/dbraw/zinc/56/83/79/524568379.db2.gz UPZSIAWKMNDUHE-MWLCHTKSSA-N 1 0 284.762 2.565 20 70 CFIDRO C[C@@H]1C[N@H+](Cc2ccc(OC(F)(F)F)cc2)CC[C@@H]1O ZINC000159438447 524995776 /nfs/dbraw/zinc/99/57/76/524995776.db2.gz GQQWCNQBVWKMLG-MFKMUULPSA-N 1 0 289.297 2.788 20 70 CFIDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1nc(C(C)(C)C)ns1 ZINC000159474881 525085078 /nfs/dbraw/zinc/08/50/78/525085078.db2.gz DMIXABLNBZWOHH-GHMZBOCLSA-N 1 0 280.441 2.509 20 70 CFIDRO COc1ccc([C@H](C)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000217682534 525336961 /nfs/dbraw/zinc/33/69/61/525336961.db2.gz GQYPIUBPCBWKER-JQFCIGGWSA-N 1 0 274.408 2.973 20 70 CFIDRO Cc1ccccc1[C@@H](C)CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160615100 525345298 /nfs/dbraw/zinc/34/52/98/525345298.db2.gz QRPMCSOGPJSJLG-HRCADAONSA-N 1 0 286.419 2.842 20 70 CFIDRO C[C@H]([NH2+]C[C@@H](C1CCCCC1)N(C)C)C1CCOCC1 ZINC000160424936 525375234 /nfs/dbraw/zinc/37/52/34/525375234.db2.gz CYQPIGQAAMNVPD-YOEHRIQHSA-N 1 0 282.472 2.902 20 70 CFIDRO CSC[C@@H](CCO)[NH2+][C@@H](CC(C)C)c1ccccn1 ZINC000160174590 525641676 /nfs/dbraw/zinc/64/16/76/525641676.db2.gz FNIWMZPUYDTAGX-HIFRSBDPSA-N 1 0 282.453 2.872 20 70 CFIDRO Cc1cc(-c2nnc(C[N@H+](C)CC3CC3)o2)c(C)o1 ZINC000161429244 526058144 /nfs/dbraw/zinc/05/81/44/526058144.db2.gz RZZSACURMSYFEB-UHFFFAOYSA-N 1 0 261.325 2.788 20 70 CFIDRO O=C(CCc1ccccc1Cl)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159586947 526612060 /nfs/dbraw/zinc/61/20/60/526612060.db2.gz PQARNWWIXZMVRF-OKILXGFUSA-N 1 0 292.810 2.626 20 70 CFIDRO O=C(c1cccc(C(F)(F)F)c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159588325 526752655 /nfs/dbraw/zinc/75/26/55/526752655.db2.gz YNPKPAKVPOATSA-BETUJISGSA-N 1 0 298.308 2.672 20 70 CFIDRO [NH3+][C@@H](C(=O)NC[C@@H]1CCc2ccccc21)c1ccccc1 ZINC000159731109 527327860 /nfs/dbraw/zinc/32/78/60/527327860.db2.gz HEARZBUMLJGJIU-DOTOQJQBSA-N 1 0 280.371 2.533 20 70 CFIDRO Cn1nccc1C[NH+]1CCC(c2nc3ccccc3o2)CC1 ZINC000161062810 527605993 /nfs/dbraw/zinc/60/59/93/527605993.db2.gz PMSARPYPPVBIAQ-UHFFFAOYSA-N 1 0 296.374 2.941 20 70 CFIDRO FC(F)(F)COCC[NH2+]Cc1cccc2cc[nH]c21 ZINC000218150845 527670890 /nfs/dbraw/zinc/67/08/90/527670890.db2.gz WHHXVFVMKRVNPA-UHFFFAOYSA-N 1 0 272.270 2.836 20 70 CFIDRO FC(F)(F)OCC[NH2+]Cc1cccc2cccnc21 ZINC000159426322 527674339 /nfs/dbraw/zinc/67/43/39/527674339.db2.gz OVOVTQBZCJZETG-UHFFFAOYSA-N 1 0 270.254 2.861 20 70 CFIDRO CCOCCC[N@H+](CCc1nccs1)C(C)C ZINC000159857072 528658388 /nfs/dbraw/zinc/65/83/88/528658388.db2.gz QCTFXAMBUIOPIN-UHFFFAOYSA-N 1 0 256.415 2.823 20 70 CFIDRO CCC[C@@H](CC1CCCC1)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000160583920 528928255 /nfs/dbraw/zinc/92/82/55/528928255.db2.gz NWQSOVONLPQHMJ-GJZGRUSLSA-N 1 0 266.429 2.803 20 70 CFIDRO CCC([NH3+])(CC)CNC(=O)c1sc(CC(C)C)nc1C ZINC000160518357 528948841 /nfs/dbraw/zinc/94/88/41/528948841.db2.gz INPSRIPSHCZWCR-UHFFFAOYSA-N 1 0 297.468 2.897 20 70 CFIDRO CC[NH+]1CCC(NC(=O)CCCc2sccc2C)CC1 ZINC000159911667 528977727 /nfs/dbraw/zinc/97/77/27/528977727.db2.gz UEWJMWYRECHPHN-UHFFFAOYSA-N 1 0 294.464 2.980 20 70 CFIDRO CC[N@@H+]1CCCN(C(=O)NCCCCC(C)(C)C)CC1 ZINC000159822212 529022844 /nfs/dbraw/zinc/02/28/44/529022844.db2.gz LGCFXUUIGUKNGC-UHFFFAOYSA-N 1 0 283.460 2.940 20 70 CFIDRO CC[N@@H+]1CCCN(C(=O)NCCCC2CCCC2)CC1 ZINC000159646368 529023138 /nfs/dbraw/zinc/02/31/38/529023138.db2.gz QMPIMAYQYLYUFQ-UHFFFAOYSA-N 1 0 281.444 2.694 20 70 CFIDRO CCSCC[NH+]1CCN(Cc2csc(CC)n2)CC1 ZINC000159608164 529179533 /nfs/dbraw/zinc/17/95/33/529179533.db2.gz NITUNTCEBQOHQO-UHFFFAOYSA-N 1 0 299.509 2.576 20 70 CFIDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C[C@@H](C)c1ccncc1 ZINC000160251911 545515244 /nfs/dbraw/zinc/51/52/44/545515244.db2.gz VBXGYGUEBPYLRO-ZBFHGGJFSA-N 1 0 289.423 2.566 20 70 CFIDRO Cc1cc(C)c(CNC(=O)[C@]2(C)CCC[NH2+]C2)c(C)c1 ZINC000161356038 232251260 /nfs/dbraw/zinc/25/12/60/232251260.db2.gz QAZKBCUJFKJJEO-QGZVFWFLSA-N 1 0 274.408 2.618 20 70 CFIDRO CC[C@H]([NH2+]CCOc1ccc(F)cc1F)[C@H]1CCOC1 ZINC000160089752 522595832 /nfs/dbraw/zinc/59/58/32/522595832.db2.gz VSGFYGYEMHXUGV-FZMZJTMJSA-N 1 0 285.334 2.748 20 70 CFIDRO CCCCO[C@H]1C[C@@H]([NH2+][C@@H]2CCCOC2)C1(C)C ZINC000159794204 348014241 /nfs/dbraw/zinc/01/42/41/348014241.db2.gz FULHTCXHWQRVPG-MCIONIFRSA-N 1 0 255.402 2.739 20 70 CFIDRO CCCn1nccc1C[NH2+]C1CCC(C(=O)OCC)CC1 ZINC000160105181 348015944 /nfs/dbraw/zinc/01/59/44/348015944.db2.gz TXEONEMFPWLWNH-UHFFFAOYSA-N 1 0 293.411 2.505 20 70 CFIDRO CC[C@H](C)N(C)CC[NH2+][C@@H](C)Cc1ccc(OC)cc1 ZINC000160065886 348016004 /nfs/dbraw/zinc/01/60/04/348016004.db2.gz BDNSVLAEGWZYAE-GJZGRUSLSA-N 1 0 278.440 2.946 20 70 CFIDRO CCN(C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)C1CCCCC1 ZINC000160641278 348019559 /nfs/dbraw/zinc/01/95/59/348019559.db2.gz TWESKKCYLQXWFF-OAHLLOKOSA-N 1 0 293.455 2.835 20 70 CFIDRO C[C@H]1Cc2ccccc2N1C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160665224 348019730 /nfs/dbraw/zinc/01/97/30/348019730.db2.gz GFEJOBGQNPVTCM-BBRMVZONSA-N 1 0 299.418 2.632 20 70 CFIDRO CCCC[C@H](NC(=O)CC[NH2+]C(C)C)C1CCC1 ZINC000160779924 348020631 /nfs/dbraw/zinc/02/06/31/348020631.db2.gz IPUCFTDZKAFJIA-AWEZNQCLSA-N 1 0 254.418 2.850 20 70 CFIDRO CC[C@H]1CCCCCN1C(=O)NCC[NH+](CC)CC ZINC000160843817 348021304 /nfs/dbraw/zinc/02/13/04/348021304.db2.gz OXLXTKUPNVFBFH-AWEZNQCLSA-N 1 0 269.433 2.692 20 70 CFIDRO Cn1ccnc1CN(Cc1ccccc1)C[C@H]1CCCO1 ZINC000160835772 348021317 /nfs/dbraw/zinc/02/13/17/348021317.db2.gz QLURDMKGROGHPQ-MRXNPFEDSA-N 1 0 285.391 2.601 20 70 CFIDRO CCSCc1ccc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000160854305 348021536 /nfs/dbraw/zinc/02/15/36/348021536.db2.gz NNCGBVWHQGCAIO-LSDHHAIUSA-N 1 0 292.448 2.939 20 70 CFIDRO CC(C)[NH2+]CCC(=O)N[C@@H]1c2cccc(F)c2CC[C@H]1C ZINC000161097021 348023316 /nfs/dbraw/zinc/02/33/16/348023316.db2.gz LKZZTEQMUPYTQG-PXAZEXFGSA-N 1 0 292.398 2.953 20 70 CFIDRO COCCCCC[NH2+]Cc1cnc2ccccc2n1 ZINC000218240530 348166706 /nfs/dbraw/zinc/16/67/06/348166706.db2.gz DJMIUJBLCAFHGX-UHFFFAOYSA-N 1 0 259.353 2.536 20 70 CFIDRO CS(=O)(=O)CCCC[N@H+](Cc1cccs1)C1CC1 ZINC000161368385 539831043 /nfs/dbraw/zinc/83/10/43/539831043.db2.gz HNRXXBBSWDJOSN-UHFFFAOYSA-N 1 0 287.450 2.537 20 70 CFIDRO O=C(C[C@@H]1CCC[NH2+]1)Nc1cccc(CC(F)(F)F)c1 ZINC000160804660 188492833 /nfs/dbraw/zinc/49/28/33/188492833.db2.gz FWVPOAYEPCOHOT-NSHDSACASA-N 1 0 286.297 2.872 20 70 CFIDRO Cc1cc(NC(=O)C[C@H]2CCC[NH2+]2)ccc1OC(C)C ZINC000160905610 188497249 /nfs/dbraw/zinc/49/72/49/188497249.db2.gz DPAIGGYTPSRZSC-CYBMUJFWSA-N 1 0 276.380 2.863 20 70 CFIDRO CCC(CC)(C[NH3+])C(=O)N[C@H](C)COc1cccc(C)c1 ZINC000161189728 188513598 /nfs/dbraw/zinc/51/35/98/188513598.db2.gz RGTMJYNPRWNGFO-CQSZACIVSA-N 1 0 292.423 2.644 20 70 CFIDRO Cc1ccnc(NC[C@@H]2CCC[N@@H+](CC(C)C)C2)n1 ZINC000161304253 188521134 /nfs/dbraw/zinc/52/11/34/188521134.db2.gz TXPNMPRXGZDTHR-AWEZNQCLSA-N 1 0 262.401 2.565 20 70 CFIDRO CCC(CC)(C[NH3+])C(=O)N1CCc2c(Cl)cccc2C1 ZINC000161217718 188515683 /nfs/dbraw/zinc/51/56/83/188515683.db2.gz XZYUUYJLZBQLEK-UHFFFAOYSA-N 1 0 294.826 2.990 20 70 CFIDRO CCCn1nccc1CNC[C@@H](C(CC)CC)[NH+](C)C ZINC000159990616 540666838 /nfs/dbraw/zinc/66/68/38/540666838.db2.gz MMMYFJNTHLQHHN-INIZCTEOSA-N 1 0 280.460 2.749 20 70 CFIDRO CC[C@H]1c2ccccc2CCN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000160133374 540669258 /nfs/dbraw/zinc/66/92/58/540669258.db2.gz JGXHMJXRAAPLKO-ZBFHGGJFSA-N 1 0 272.392 2.522 20 70 CFIDRO CCC([NH3+])(CC)CNC(=O)C[C@@H]1CCc2ccccc21 ZINC000160540168 540675168 /nfs/dbraw/zinc/67/51/68/540675168.db2.gz QKIGMISXUMBBIA-AWEZNQCLSA-N 1 0 274.408 2.740 20 70 CFIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)C2(c3cccc(F)c3)CCC2)C1 ZINC000160881330 540682698 /nfs/dbraw/zinc/68/26/98/540682698.db2.gz MRVSOQHJVXSMDZ-CABCVRRESA-N 1 0 290.382 2.634 20 70 CFIDRO CCO[C@H]1C[C@@H](NC(=O)CC2([NH3+])CCC2)C12CCCCC2 ZINC000161182504 540690361 /nfs/dbraw/zinc/69/03/61/540690361.db2.gz QVNMFQLHSJATKU-KGLIPLIRSA-N 1 0 294.439 2.502 20 70 CFIDRO O=C(NCC[C@H]1CC[NH2+]C1)c1cc2ccc(F)cc2s1 ZINC000161203393 540690489 /nfs/dbraw/zinc/69/04/89/540690489.db2.gz XLWIWOZPZPWYGC-SNVBAGLBSA-N 1 0 292.379 2.770 20 70 CFIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)C2(c3ccccc3)CCCC2)C1 ZINC000161387406 540693018 /nfs/dbraw/zinc/69/30/18/540693018.db2.gz IDHLUMNYHXAYCZ-JKSUJKDBSA-N 1 0 286.419 2.885 20 70 CFIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)CCc2ccccc2Cl)C1 ZINC000161391422 540692676 /nfs/dbraw/zinc/69/26/76/540692676.db2.gz OICCDDNFPWZOLS-OLZOCXBDSA-N 1 0 280.799 2.659 20 70 CFIDRO Cc1ccc(C)c(SCC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000161418823 540692752 /nfs/dbraw/zinc/69/27/52/540692752.db2.gz QVFCZCKYWXKUTL-ZIAGYGMSSA-N 1 0 292.448 2.782 20 70 CFIDRO Cc1nc(CC(C)C)c(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)s1 ZINC000161411673 540692781 /nfs/dbraw/zinc/69/27/81/540692781.db2.gz FWSKQTUIMURQPB-RYUDHWBXSA-N 1 0 295.452 2.650 20 70 CFIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)C2(c3ccccc3)CCCC2)C1 ZINC000161387718 540692826 /nfs/dbraw/zinc/69/28/26/540692826.db2.gz IDHLUMNYHXAYCZ-CVEARBPZSA-N 1 0 286.419 2.885 20 70 CFIDRO Cc1ccc(-c2cc(C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)on2)cc1 ZINC000161506666 540693844 /nfs/dbraw/zinc/69/38/44/540693844.db2.gz SKJNALHEHHAHOH-ZIAGYGMSSA-N 1 0 299.374 2.650 20 70 CFIDRO [NH3+][C@H]1CCC[C@H](NC(=O)CCc2ccccc2Cl)C1 ZINC000161391143 540693035 /nfs/dbraw/zinc/69/30/35/540693035.db2.gz OICCDDNFPWZOLS-STQMWFEESA-N 1 0 280.799 2.659 20 70 CFIDRO CCn1nccc1C[NH2+]CCc1cccc(Cl)c1 ZINC000159890917 541015736 /nfs/dbraw/zinc/01/57/36/541015736.db2.gz LMHNEVCGNUUEKC-UHFFFAOYSA-N 1 0 263.772 2.889 20 70 CFIDRO CCN(CCC[NH+]1CCCCC1)Cc1ccoc1 ZINC000160835895 541480247 /nfs/dbraw/zinc/48/02/47/541480247.db2.gz WYVAQXATKMKLJY-UHFFFAOYSA-N 1 0 250.386 2.978 20 70 CFIDRO Cc1ccc([C@@H](C)[N@H+](C)CCCCS(C)(=O)=O)cc1 ZINC000161467120 541647514 /nfs/dbraw/zinc/64/75/14/541647514.db2.gz REHXSLGYAMRCHE-CQSZACIVSA-N 1 0 283.437 2.813 20 70 CFIDRO CC[N@H+](CCCc1cccc(OC)c1)CCC(=O)OC ZINC000159850891 378734531 /nfs/dbraw/zinc/73/45/31/378734531.db2.gz JHDOZVDGCIOJPE-UHFFFAOYSA-N 1 0 279.380 2.513 20 70 CFIDRO CCN(CC)C(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000159848483 378734568 /nfs/dbraw/zinc/73/45/68/378734568.db2.gz MMDAROKOPLTGSQ-HOCLYGCPSA-N 1 0 289.423 2.701 20 70 CFIDRO C[C@@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1cncs1 ZINC000159959669 378741000 /nfs/dbraw/zinc/74/10/00/378741000.db2.gz GJSJPTUFXCHILP-BXKDBHETSA-N 1 0 268.407 2.763 20 70 CFIDRO CCOC[C@@H]1CC[N@H+](CCC(=O)c2ccc(C)cc2)C1 ZINC000159987527 378742391 /nfs/dbraw/zinc/74/23/91/378742391.db2.gz DVMVMYSQRYUPIQ-OAHLLOKOSA-N 1 0 275.392 2.926 20 70 CFIDRO Cc1ccc(C(=O)CC[N@@H+](C)C[C@H]2CCOC2)cc1 ZINC000160026444 378744062 /nfs/dbraw/zinc/74/40/62/378744062.db2.gz BRGLELLQJAPUCA-CQSZACIVSA-N 1 0 261.365 2.536 20 70 CFIDRO CC[C@H]([NH3+])C(=O)NCC(C)(C)c1ccc(F)cc1Cl ZINC000160042827 378745459 /nfs/dbraw/zinc/74/54/59/378745459.db2.gz HCKVQKINEADLGN-LBPRGKRZSA-N 1 0 286.778 2.610 20 70 CFIDRO CN(Cc1ncc(-c2ccccc2)o1)[C@H](C[NH3+])C1CC1 ZINC000160064579 378745588 /nfs/dbraw/zinc/74/55/88/378745588.db2.gz NFSZLSZSCOQWEP-CQSZACIVSA-N 1 0 271.364 2.511 20 70 CFIDRO CCCN(CCc1cccc(F)c1)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000160096844 378748849 /nfs/dbraw/zinc/74/88/49/378748849.db2.gz WXJKOSUJOBOAHK-OAHLLOKOSA-N 1 0 292.398 2.606 20 70 CFIDRO CCN(C(=O)CCCCCC[NH3+])c1nc(C)cs1 ZINC000160171264 378753965 /nfs/dbraw/zinc/75/39/65/378753965.db2.gz XPGPZSZAPFXUDD-UHFFFAOYSA-N 1 0 269.414 2.714 20 70 CFIDRO CCS[C@H]1CCC[C@H]([NH2+][C@@H]2CCN(C)C[C@@H]2C)C1 ZINC000159405755 378707614 /nfs/dbraw/zinc/70/76/14/378707614.db2.gz IWIPOTOUORYIKL-ZQDZILKHSA-N 1 0 270.486 2.981 20 70 CFIDRO C[C@@H](O)C[N@H+](C)[C@H](C)CCSc1ccccc1 ZINC000159456147 378710270 /nfs/dbraw/zinc/71/02/70/378710270.db2.gz IYCVFSJWIWCNCJ-CHWSQXEVSA-N 1 0 253.411 2.870 20 70 CFIDRO Cc1ccsc1[C@H]1C[C@@H]1C(=O)NCC(C)(C)[NH+](C)C ZINC000159534632 378715119 /nfs/dbraw/zinc/71/51/19/378715119.db2.gz JXWUQVZIRMOCHX-RYUDHWBXSA-N 1 0 280.437 2.616 20 70 CFIDRO CC[C@H]([NH3+])C(=O)Nc1ccc(C)c(NC(=O)C(C)(C)C)c1 ZINC000159528790 378715131 /nfs/dbraw/zinc/71/51/31/378715131.db2.gz QSVJOSGIAHRJNL-LBPRGKRZSA-N 1 0 291.395 2.655 20 70 CFIDRO CCc1ccc([C@H](C)[NH2+]CCCN2CCCC2=O)s1 ZINC000159579476 378719165 /nfs/dbraw/zinc/71/91/65/378719165.db2.gz AVYINGJYVGIOCU-LBPRGKRZSA-N 1 0 280.437 2.974 20 70 CFIDRO [NH3+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)C1 ZINC000160199319 378755923 /nfs/dbraw/zinc/75/59/23/378755923.db2.gz NBLJXZHRQCQUGC-FRRDWIJNSA-N 1 0 299.201 2.657 20 70 CFIDRO Clc1ccc(C[NH2+][C@H]2[C@H]3CCO[C@@H]3C23CCC3)cn1 ZINC000159649549 378722802 /nfs/dbraw/zinc/72/28/02/378722802.db2.gz XNIGWSPBNSIARK-XBFCOCLRSA-N 1 0 278.783 2.782 20 70 CFIDRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CC1CCCCCC1 ZINC000159672512 378723520 /nfs/dbraw/zinc/72/35/20/378723520.db2.gz GJJNSMZEOLWBMY-OCCSQVGLSA-N 1 0 252.402 2.543 20 70 CFIDRO CC(C)=CCOc1ccc(CC[C@@H](C)[NH2+]CCO)cc1 ZINC000159680677 378724407 /nfs/dbraw/zinc/72/44/07/378724407.db2.gz GLBMNTCXVMJEGN-OAHLLOKOSA-N 1 0 277.408 2.935 20 70 CFIDRO CSCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000159716567 378726363 /nfs/dbraw/zinc/72/63/63/378726363.db2.gz LDNIMBRCQPPYDU-QLFBSQMISA-N 1 0 292.448 2.519 20 70 CFIDRO Cc1ccc([C@H]2CSCC[N@@H+]2CCn2ccnc2)cc1 ZINC000159832254 378733469 /nfs/dbraw/zinc/73/34/69/378733469.db2.gz AGJBAPVJCXJNGM-MRXNPFEDSA-N 1 0 287.432 2.982 20 70 CFIDRO C[C@@H](CC1CC1)NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000159843998 378733899 /nfs/dbraw/zinc/73/38/99/378733899.db2.gz YTGUDDYNTSIBKG-GOEBONIOSA-N 1 0 293.455 2.835 20 70 CFIDRO Cc1ccc2c(c1)[C@H]([NH2+]C1CCC(C(N)=O)CC1)CC2 ZINC000160804797 378799664 /nfs/dbraw/zinc/79/96/64/378799664.db2.gz RKHDVSDINUJYAQ-ZBCRRDGASA-N 1 0 272.392 2.616 20 70 CFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc3c(c1)CCC3)CC2 ZINC000160383006 378767942 /nfs/dbraw/zinc/76/79/42/378767942.db2.gz YKLMBOJYXHFYOI-YVEFUNNKSA-N 1 0 296.418 2.741 20 70 CFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc3c(c1)CCC3)CC2 ZINC000160383238 378768672 /nfs/dbraw/zinc/76/86/72/378768672.db2.gz YKLMBOJYXHFYOI-SJKOYZFVSA-N 1 0 296.418 2.741 20 70 CFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(C)c(C)c1)CC2 ZINC000160414082 378770544 /nfs/dbraw/zinc/77/05/44/378770544.db2.gz XURVSWYOEZYOHA-CZUORRHYSA-N 1 0 284.407 2.869 20 70 CFIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccs1 ZINC000160427905 378771650 /nfs/dbraw/zinc/77/16/50/378771650.db2.gz NINDTEBQOJTXML-GFCCVEGCSA-N 1 0 266.410 2.598 20 70 CFIDRO CCC([NH3+])(CC)CNC(=O)C[C@@H](C)c1ccccc1OC ZINC000160438772 378772727 /nfs/dbraw/zinc/77/27/27/378772727.db2.gz JZSKUMQBDSVNMR-CYBMUJFWSA-N 1 0 292.423 2.823 20 70 CFIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cc3ccccc3o1)CC2 ZINC000160551401 378781263 /nfs/dbraw/zinc/78/12/63/378781263.db2.gz RCLIFPCFYGOKSR-RISCZKNCSA-N 1 0 296.374 2.998 20 70 CFIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cc3ccccc3o1)CC2 ZINC000160551148 378781386 /nfs/dbraw/zinc/78/13/86/378781386.db2.gz RCLIFPCFYGOKSR-FZMZJTMJSA-N 1 0 296.374 2.998 20 70 CFIDRO CC(C)OC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000160618327 378785567 /nfs/dbraw/zinc/78/55/67/378785567.db2.gz UFRPFGLDCFFYRS-OAHLLOKOSA-N 1 0 276.380 2.786 20 70 CFIDRO CC1(C)C[C@H]([NH2+]Cc2cc3ccccc3[nH]c2=O)CCO1 ZINC000160635579 378787436 /nfs/dbraw/zinc/78/74/36/378787436.db2.gz SFBOENDZTRWYNY-CQSZACIVSA-N 1 0 286.375 2.988 20 70 CFIDRO COc1ccc(C[N@@H+](CC(OC)OC)[C@@H](C)C2CC2)cc1 ZINC000160669079 378789926 /nfs/dbraw/zinc/78/99/26/378789926.db2.gz TYFMAJJJTOVDIT-ZDUSSCGKSA-N 1 0 293.407 2.915 20 70 CFIDRO CC1(O)CC[NH+](Cc2cc(-c3ccccc3)no2)CC1 ZINC000161224893 378831643 /nfs/dbraw/zinc/83/16/43/378831643.db2.gz UTXIJLVHCBCCOE-UHFFFAOYSA-N 1 0 272.348 2.688 20 70 CFIDRO CCC[N@H+](CCO)Cc1cc2cc(OC)ccc2o1 ZINC000161236388 378833029 /nfs/dbraw/zinc/83/30/29/378833029.db2.gz AFEIZOMAGIWDOR-UHFFFAOYSA-N 1 0 263.337 2.646 20 70 CFIDRO Cc1cc(C)cc(OCC[NH2+][C@H](C)c2cnccn2)c1 ZINC000161246845 378833112 /nfs/dbraw/zinc/83/31/12/378833112.db2.gz NWMMVKNCPMINFN-CQSZACIVSA-N 1 0 271.364 2.823 20 70 CFIDRO C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCSC2)C1)c1ccccn1 ZINC000160850583 378804066 /nfs/dbraw/zinc/80/40/66/378804066.db2.gz DCOJBECXWZAPEF-GUTXKFCHSA-N 1 0 278.421 2.787 20 70 CFIDRO Cc1nccc(N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000160867468 378805655 /nfs/dbraw/zinc/80/56/55/378805655.db2.gz RNZKLYKKNXOYIK-BBRMVZONSA-N 1 0 282.391 2.860 20 70 CFIDRO CC[C@@H](COC)[NH2+][C@@H](CCCO)c1ccccc1 ZINC000160883503 378805852 /nfs/dbraw/zinc/80/58/52/378805852.db2.gz MLAJPVOYFWJPJU-GJZGRUSLSA-N 1 0 251.370 2.515 20 70 CFIDRO CC[C@H](C)NC(=O)CC[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000160905227 378807202 /nfs/dbraw/zinc/80/72/02/378807202.db2.gz NZZFNNYPEBUBCX-JTQLQIEISA-N 1 0 286.778 2.874 20 70 CFIDRO C[C@@H]([NH2+][C@H](CCO)c1ccccc1)c1cncs1 ZINC000160997828 378814864 /nfs/dbraw/zinc/81/48/64/378814864.db2.gz VIXXPPOEZUYDGL-DGCLKSJQSA-N 1 0 262.378 2.917 20 70 CFIDRO C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000161052842 378818346 /nfs/dbraw/zinc/81/83/46/378818346.db2.gz UKBGTONPXNRLFG-TZMCWYRMSA-N 1 0 294.826 2.729 20 70 CFIDRO COC(C[N@@H+]1C[C@H](C)C[C@H]1c1cccc(F)c1)OC ZINC000161271380 378835603 /nfs/dbraw/zinc/83/56/03/378835603.db2.gz LRHPOJPLFVQBHN-RISCZKNCSA-N 1 0 267.344 2.828 20 70 CFIDRO CC[NH2+]CC1CCN(C(=O)c2cc(C)n(CC)c2C)CC1 ZINC000161080518 378820090 /nfs/dbraw/zinc/82/00/90/378820090.db2.gz NASROVROFKRMPP-UHFFFAOYSA-N 1 0 291.439 2.587 20 70 CFIDRO C[C@H]([NH3+])C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000161129080 378824951 /nfs/dbraw/zinc/82/49/51/378824951.db2.gz GLWBPHARGNOLOA-LURJTMIESA-N 1 0 294.754 2.983 20 70 CFIDRO CCCn1ccc2ccc(NC(=O)C(C)(C)[NH3+])cc21 ZINC000161281278 378836112 /nfs/dbraw/zinc/83/61/12/378836112.db2.gz TWDHPPKPTHZNDX-UHFFFAOYSA-N 1 0 259.353 2.727 20 70 CFIDRO CC[NH+](CC)CCCNC(=O)c1cccc(C)c1F ZINC000161393097 378844901 /nfs/dbraw/zinc/84/49/01/378844901.db2.gz WAZOQZZVVRTSJR-UHFFFAOYSA-N 1 0 266.360 2.596 20 70 CFIDRO CN(C(=O)[C@@H]1C[C@@H]1C1CCCCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161394439 378845070 /nfs/dbraw/zinc/84/50/70/378845070.db2.gz GJEWDUUJBXPWJM-PFUJJPPESA-N 1 0 290.451 2.944 20 70 CFIDRO C[C@H]1[C@H](c2ccccc2)CCN1C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000161421245 378846465 /nfs/dbraw/zinc/84/64/65/378846465.db2.gz POXOXIYPCFAEPZ-NWANDNLSSA-N 1 0 274.408 2.764 20 70 CFIDRO C[C@@H]([NH2+]C[C@@H](CO)c1ccccc1)c1cncs1 ZINC000161467655 378848848 /nfs/dbraw/zinc/84/88/48/378848848.db2.gz NWTHJCJIAKLFLN-YPMHNXCESA-N 1 0 262.378 2.570 20 70 CFIDRO CC(C)c1ccc(N(C)C(=O)C[C@H]2CCC[NH2+]2)cc1 ZINC000161461188 378848884 /nfs/dbraw/zinc/84/88/84/378848884.db2.gz RTKCJAKGLINVLA-CQSZACIVSA-N 1 0 260.381 2.915 20 70 CFIDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccco2)C[C@@H]1C ZINC000161480923 378849408 /nfs/dbraw/zinc/84/94/08/378849408.db2.gz SOFMJNFLZMULJW-SGMGOOAPSA-N 1 0 265.353 2.737 20 70 CFIDRO C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C)Sc1ccc(C)cc1 ZINC000161305400 378837435 /nfs/dbraw/zinc/83/74/35/378837435.db2.gz JXGRJSGMOBKKCS-ZIAGYGMSSA-N 1 0 292.448 2.686 20 70 CFIDRO Cc1ccc(C[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)cn1 ZINC000161301612 378837910 /nfs/dbraw/zinc/83/79/10/378837910.db2.gz YJVLTURCLCIURB-ZUOKHONESA-N 1 0 288.416 2.978 20 70 CFIDRO COCC[C@H](C)[NH2+]C[C@H](C)COCc1ccccc1 ZINC000161309380 378837957 /nfs/dbraw/zinc/83/79/57/378837957.db2.gz GKMDJAPCHCUZLS-GJZGRUSLSA-N 1 0 265.397 2.854 20 70 CFIDRO C[NH2+]C[C@H](C)C(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000161334753 378839247 /nfs/dbraw/zinc/83/92/47/378839247.db2.gz QNZBSHLJDYVNHU-NSHDSACASA-N 1 0 294.370 2.941 20 70 CFIDRO CC[NH+](CC)[C@@H](CNC(=O)NC1(C)CCC1)c1ccco1 ZINC000160216148 284768536 /nfs/dbraw/zinc/76/85/36/284768536.db2.gz BBKCPAORLULWSB-ZDUSSCGKSA-N 1 0 293.411 2.904 20 70 CFIDRO C[N@H+](C[C@@H](O)c1cc2ccccc2o1)C[C@@H]1CCCO1 ZINC000216963674 382785388 /nfs/dbraw/zinc/78/53/88/382785388.db2.gz GXBSCAFWCKUTMQ-UONOGXRCSA-N 1 0 275.348 2.577 20 70 CFIDRO CC[C@H](C)[N@H+](C)CCNCc1cccc2c1OCCCO2 ZINC000217397117 382786251 /nfs/dbraw/zinc/78/62/51/382786251.db2.gz YIOXKFSUCFHYBY-AWEZNQCLSA-N 1 0 292.423 2.668 20 70 CFIDRO COc1ccc(N[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1F ZINC000217950151 382788286 /nfs/dbraw/zinc/78/82/86/382788286.db2.gz KTXBHTYRQIVOPO-COPLHBTASA-N 1 0 266.360 2.975 20 70 CFIDRO CN1CCC[C@H]1C[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000218235912 382789943 /nfs/dbraw/zinc/78/99/43/382789943.db2.gz FFYAVBPYSGCKLN-AWEZNQCLSA-N 1 0 287.432 2.994 20 70 CFIDRO C[C@@H]1CCCC[C@@H]1[NH2+]CCS(=O)(=O)c1ccccc1 ZINC000218460968 382790344 /nfs/dbraw/zinc/79/03/44/382790344.db2.gz HKPUMDHSXFAMIP-HIFRSBDPSA-N 1 0 281.421 2.629 20 70 CFIDRO COC[C@@H]([NH2+]C[C@H](C)N1CCc2sccc2C1)C1CC1 ZINC000159885703 285237802 /nfs/dbraw/zinc/23/78/02/285237802.db2.gz LJCXNIRWJPTGIQ-SWLSCSKDSA-N 1 0 294.464 2.509 20 70 CFIDRO COC[C@@H]([NH2+][C@@H]1CCCN(C2CCCCC2)C1)C1CC1 ZINC000160121593 285240987 /nfs/dbraw/zinc/24/09/87/285240987.db2.gz NVWHWSQMLMYODF-NVXWUHKLSA-N 1 0 280.456 2.798 20 70 CFIDRO COc1cccc(F)c1[C@H](C)NC(=O)C1(C[NH3+])CCCC1 ZINC000161050390 533569920 /nfs/dbraw/zinc/56/99/20/533569920.db2.gz ULYSOUWLJPMNNS-NSHDSACASA-N 1 0 294.370 2.531 20 70 CFIDRO C[C@H](CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)C1CCCCC1 ZINC000159991606 533645054 /nfs/dbraw/zinc/64/50/54/533645054.db2.gz ISHUIAIMYADYFU-BMFZPTHFSA-N 1 0 278.440 2.946 20 70 CFIDRO COc1ccc2c(c1)[C@@H]([NH2+][C@H](C)[C@@H]1CCCO1)CCO2 ZINC000217966613 393757756 /nfs/dbraw/zinc/75/77/56/393757756.db2.gz LPEBRBWGYRPVPL-UGFHNGPFSA-N 1 0 277.364 2.676 20 70 CFIDRO Cc1ccccc1OCC[N@@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000218763723 393758246 /nfs/dbraw/zinc/75/82/46/393758246.db2.gz BGEHAYUHZQALNM-SFHVURJKSA-N 1 0 299.414 2.909 20 70 CFIDRO Cc1ccccc1OCC[N@@H+](C)C[C@H](O)Cc1ccccc1 ZINC000218763739 393758274 /nfs/dbraw/zinc/75/82/74/393758274.db2.gz BGEHAYUHZQALNM-GOSISDBHSA-N 1 0 299.414 2.909 20 70 CFIDRO C[C@@H](CC(N)=O)[NH2+]CC(c1ccccc1)c1ccccc1 ZINC000218579831 393758615 /nfs/dbraw/zinc/75/86/15/393758615.db2.gz PEKJXDFLFOFXSN-AWEZNQCLSA-N 1 0 282.387 2.672 20 70 CFIDRO CC(C)([NH3+])C(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000160080895 394366022 /nfs/dbraw/zinc/36/60/22/394366022.db2.gz ODNYLAXOVFNWIR-JTQLQIEISA-N 1 0 287.190 2.834 20 70 CFIDRO CSC[C@@H](CCO)[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000160153574 394366069 /nfs/dbraw/zinc/36/60/69/394366069.db2.gz NUJQIVGMGSUYQN-TZMCWYRMSA-N 1 0 269.385 2.517 20 70 CFIDRO Cc1cc(N2CCC(n3ccnn3)CC2)c2ccccc2[nH+]1 ZINC000160214865 394366084 /nfs/dbraw/zinc/36/60/84/394366084.db2.gz SMUMKYUDALJVDH-UHFFFAOYSA-N 1 0 293.374 2.976 20 70 CFIDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(-n3cccn3)cc2)CCO1 ZINC000160512011 394366614 /nfs/dbraw/zinc/36/66/14/394366614.db2.gz WHSYCCMVPRGTNI-HNNXBMFYSA-N 1 0 285.391 2.920 20 70 CFIDRO Cc1c2c(sc1NC(=O)[C@@]1(C)CC[NH2+]C1)CCCC2 ZINC000160986721 394366813 /nfs/dbraw/zinc/36/68/13/394366813.db2.gz XCLJIRQTXFTXRW-HNNXBMFYSA-N 1 0 278.421 2.873 20 70 CFIDRO Cc1c(NC(=O)[C@@]2(F)CC[NH2+]C2)sc2c1CCCC2 ZINC000160989231 394366860 /nfs/dbraw/zinc/36/68/60/394366860.db2.gz RMWBSRRWUSNBRL-CQSZACIVSA-N 1 0 282.384 2.575 20 70 CFIDRO CCO[C@H]1C[C@@H](NC(=O)[C@@H]([NH3+])CC(C)C)C12CCCCC2 ZINC000161182981 286483809 /nfs/dbraw/zinc/48/38/09/286483809.db2.gz DINMGSCHLDJQLY-ZNMIVQPWSA-N 1 0 296.455 2.604 20 70 CFIDRO O=C([C@H]1CCC[NH2+]C1)N1CC2(CCCC2)c2ccccc21 ZINC000161013890 275008072 /nfs/dbraw/zinc/00/80/72/275008072.db2.gz KPIFFNZXXBBQHU-AWEZNQCLSA-N 1 0 284.403 2.845 20 70 CFIDRO COCC[C@@H](C)[NH2+][C@@H]1CCCN(C2CCCCC2)C1 ZINC000160101330 277235217 /nfs/dbraw/zinc/23/52/17/277235217.db2.gz KACDWDMZWHZWBD-HUUCEWRRSA-N 1 0 268.445 2.798 20 70 CFIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1cc2cc(Cl)ccc2o1 ZINC000161300139 277284913 /nfs/dbraw/zinc/28/49/13/277284913.db2.gz FVZWBGZIDIUXNP-GFCCVEGCSA-N 1 0 292.766 2.910 20 70 CFIDRO CC(C)C[C@@H]1CCCCCN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000161298646 279016098 /nfs/dbraw/zinc/01/60/98/279016098.db2.gz SKSNOFATZIMHTA-CABCVRRESA-N 1 0 266.429 2.803 20 70 CFIDRO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NC(=O)C1CC[NH2+]CC1 ZINC000217821555 280403574 /nfs/dbraw/zinc/40/35/74/280403574.db2.gz GYTVFSDEKLXHHG-YUELXQCFSA-N 1 0 266.429 2.563 20 70 CFIDRO Cc1cc(C[NH2+]C[C@H](C)N(C)C2CC2)cc(C)c1O ZINC000217525611 280491397 /nfs/dbraw/zinc/49/13/97/280491397.db2.gz RQLQKXIOTRYECJ-ZDUSSCGKSA-N 1 0 262.397 2.581 20 70 CFIDRO CCc1ccc([C@@H](C)C(=O)N2CCC[C@H]2C[NH2+]C)cc1 ZINC000161230705 288546975 /nfs/dbraw/zinc/54/69/75/288546975.db2.gz JQONZDOUVSYJIG-CJNGLKHVSA-N 1 0 274.408 2.563 20 70 CFIDRO C[C@H](Sc1ccccc1Cl)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000160351632 290191125 /nfs/dbraw/zinc/19/11/25/290191125.db2.gz ZHAVJDFJUGCRCE-WDEREUQCSA-N 1 0 298.839 2.770 20 70 CFIDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C1C2CC3CC(C2)CC1C3 ZINC000160196476 298965952 /nfs/dbraw/zinc/96/59/52/298965952.db2.gz VWGVGYXHSHPERB-OADHPXTJSA-N 1 0 290.451 2.787 20 70 CFIDRO Cc1cc2c(cc1C)[C@@H]([NH2+]CC(C)(C)O)CCCO2 ZINC000160623593 301443193 /nfs/dbraw/zinc/44/31/93/301443193.db2.gz SZHYYTOXVDLKIU-AWEZNQCLSA-N 1 0 263.381 2.878 20 70 CFIDRO C[C@H]1CN(CCC[NH+]2CCCCC2)C[C@H](C)S1 ZINC000161379609 322350789 /nfs/dbraw/zinc/35/07/89/322350789.db2.gz SCBXEXUINDNAGM-KBPBESRZSA-N 1 0 256.459 2.688 20 70 CFIDRO CS[C@@H](C)CC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000159406399 322322328 /nfs/dbraw/zinc/32/23/28/322322328.db2.gz WSZZOFFYMGLBJU-AWEZNQCLSA-N 1 0 286.485 2.756 20 70 CFIDRO CC(C)C[C@H](C)NC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000159611203 322324996 /nfs/dbraw/zinc/32/49/96/322324996.db2.gz PFVPNUFTEFNBRW-KBPBESRZSA-N 1 0 269.433 2.595 20 70 CFIDRO Cc1cc(C)c(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)[nH]1 ZINC000159634557 322325699 /nfs/dbraw/zinc/32/56/99/322325699.db2.gz DHWUCGVHFPDCPU-MRXNPFEDSA-N 1 0 299.418 2.534 20 70 CFIDRO CCCOc1ccc(C[NH2+][C@@H](C)C(=O)N2CCCC2)cc1 ZINC000159702069 322326771 /nfs/dbraw/zinc/32/67/71/322326771.db2.gz BGDVPCBMIHYENB-AWEZNQCLSA-N 1 0 290.407 2.576 20 70 CFIDRO C[NH+](C)CCn1ccc(NC(=O)C2CCC(C)(C)CC2)n1 ZINC000159790547 322328154 /nfs/dbraw/zinc/32/81/54/322328154.db2.gz VUOCXZYRBAYLON-UHFFFAOYSA-N 1 0 292.427 2.600 20 70 CFIDRO CCCC[N@H+](C)CCNC(=O)N[C@@H](CC)c1nccs1 ZINC000159812502 322328814 /nfs/dbraw/zinc/32/88/14/322328814.db2.gz WMCPLSLJUDPJNO-LBPRGKRZSA-N 1 0 298.456 2.625 20 70 CFIDRO CC1CC[NH+](CCCNC(=O)N2CC[C@@H](C)[C@H](C)C2)CC1 ZINC000159943382 322330521 /nfs/dbraw/zinc/33/05/21/322330521.db2.gz KAWJWKHPHZKLOS-HZPDHXFCSA-N 1 0 295.471 2.796 20 70 CFIDRO CC[C@@H](C)Oc1ccccc1/C=C/C(=O)NCC(C)(C)[NH3+] ZINC000160001883 322331379 /nfs/dbraw/zinc/33/13/79/322331379.db2.gz PWLUHEOPKTVOMS-OCHBPSSRSA-N 1 0 290.407 2.731 20 70 CFIDRO CC[C@H](C[NH2+][C@H](C)[C@@H]1CCOC1)Oc1ccccc1F ZINC000160307996 322336404 /nfs/dbraw/zinc/33/64/04/322336404.db2.gz BORYMYOKGVMJDO-MGPQQGTHSA-N 1 0 281.371 2.998 20 70 CFIDRO CC(C)CCOc1ccc(C[N@@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000160348017 322337046 /nfs/dbraw/zinc/33/70/46/322337046.db2.gz WIVOHFCTPANSLF-MRXNPFEDSA-N 1 0 290.407 2.561 20 70 CFIDRO CS[C@@H](C)CC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000160506684 322339086 /nfs/dbraw/zinc/33/90/86/322339086.db2.gz WLWXRHWGQHXESL-NSHDSACASA-N 1 0 272.458 2.507 20 70 CFIDRO CC(C)S(=O)(=O)CCC[N@H+](C)C1CCC(C)CC1 ZINC000160560979 322339721 /nfs/dbraw/zinc/33/97/21/322339721.db2.gz SLFCRSZZQLPQAT-UHFFFAOYSA-N 1 0 275.458 2.710 20 70 CFIDRO CN(C(=O)C1CCC(C)(C)CC1)[C@@H]1CCC[N@H+](C)C1 ZINC000160678774 322341209 /nfs/dbraw/zinc/34/12/09/322341209.db2.gz DHUSONYMSBPGGT-CQSZACIVSA-N 1 0 266.429 2.755 20 70 CFIDRO CCCC1(CNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC000160747624 322342252 /nfs/dbraw/zinc/34/22/52/322342252.db2.gz FLODLYKLJLQHKW-CYBMUJFWSA-N 1 0 252.402 2.557 20 70 CFIDRO CC(C)S(=O)(=O)CCC[N@H+](C)[C@H]1CCC[C@H](C)C1 ZINC000160795203 322342774 /nfs/dbraw/zinc/34/27/74/322342774.db2.gz JWLSDGDIUFPGND-KBPBESRZSA-N 1 0 275.458 2.710 20 70 CFIDRO C[C@@H]1C[N@@H+](Cc2cnc3ccccn23)C[C@H](C)S1 ZINC000160814660 322343412 /nfs/dbraw/zinc/34/34/12/322343412.db2.gz XHRXGPQSFMRVHM-TXEJJXNPSA-N 1 0 261.394 2.660 20 70 CFIDRO CCCC(C)(C)NC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160874563 322344325 /nfs/dbraw/zinc/34/43/25/322344325.db2.gz SJPJKMXIBRZJBL-ZDUSSCGKSA-N 1 0 281.444 2.881 20 70 CFIDRO CC(C)[NH2+]CCC(=O)N1C[C@H](c2ccccc2)C[C@H]1C ZINC000160904437 322344707 /nfs/dbraw/zinc/34/47/07/322344707.db2.gz XWMDIWXIRZEXJQ-GDBMZVCRSA-N 1 0 274.408 2.779 20 70 CFIDRO CC(C)[NH2+]CCC(=O)N1C[C@@H](c2ccccc2)C[C@H]1C ZINC000160904209 322344760 /nfs/dbraw/zinc/34/47/60/322344760.db2.gz XWMDIWXIRZEXJQ-ZBFHGGJFSA-N 1 0 274.408 2.779 20 70 CFIDRO COC[C@H](C)[NH2+][C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000161135824 322348306 /nfs/dbraw/zinc/34/83/06/322348306.db2.gz RWMDDEUDHRIZKR-STQMWFEESA-N 1 0 298.377 2.554 20 70 CFIDRO CC[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)NC1CCCC1 ZINC000161413907 322351494 /nfs/dbraw/zinc/35/14/94/322351494.db2.gz MTOZYYUIPYRERR-HIFRSBDPSA-N 1 0 266.429 2.994 20 70 CFIDRO CCc1nc2c(s1)[C@@H]([NH2+]C1CCN(C)CC1)CCC2 ZINC000161476699 322352622 /nfs/dbraw/zinc/35/26/22/322352622.db2.gz TYBKLXUZTOKXPB-LBPRGKRZSA-N 1 0 279.453 2.767 20 70 CFIDRO COC[C@@H]([NH2+]C[C@@H](C1CCCCC1)N(C)C)C1CC1 ZINC000160426249 522353445 /nfs/dbraw/zinc/35/34/45/522353445.db2.gz GPHQPJHSMCMTJM-CVEARBPZSA-N 1 0 268.445 2.512 20 70 CFIDRO CC(C)CC[C@@](C)(O)C[NH2+][C@H](C)c1cncs1 ZINC000159366211 519688083 /nfs/dbraw/zinc/68/80/83/519688083.db2.gz MRGPMLHPNGRZGC-DGCLKSJQSA-N 1 0 256.415 2.981 20 70 CFIDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1CCN(Cc1cnc3ccccn13)C2 ZINC000160917598 519698778 /nfs/dbraw/zinc/69/87/78/519698778.db2.gz RHJZAEHGLZIKRZ-JKSUJKDBSA-N 1 0 298.434 2.781 20 70 CFIDRO CC(C)Oc1cc(NCC2([NH+](C)C)CCCC2)ncn1 ZINC000161029815 519778165 /nfs/dbraw/zinc/77/81/65/519778165.db2.gz URXPFDQUWZVPCL-UHFFFAOYSA-N 1 0 278.400 2.550 20 70 CFIDRO CCOCC[N@H+](CC)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000159555250 519908991 /nfs/dbraw/zinc/90/89/91/519908991.db2.gz MZLRVPQSQNXTIA-UHFFFAOYSA-N 1 0 298.471 2.630 20 70 CFIDRO CCCCC1CCC([NH2+]C2CCN(C(N)=O)CC2)CC1 ZINC000161171682 519920308 /nfs/dbraw/zinc/92/03/08/519920308.db2.gz XVPFWRHCSTZMFC-UHFFFAOYSA-N 1 0 281.444 2.868 20 70 CFIDRO CCCCN(CC)c1ccc(C(=O)NCC(C)(C)[NH3+])cc1 ZINC000159965336 520480666 /nfs/dbraw/zinc/48/06/66/520480666.db2.gz GIUVNYQLCWHFNH-UHFFFAOYSA-N 1 0 291.439 2.780 20 70 CFIDRO CCC[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000159844254 520584282 /nfs/dbraw/zinc/58/42/82/520584282.db2.gz PYVNJFMZMIARID-IXDOHACOSA-N 1 0 286.419 2.923 20 70 CFIDRO CCOc1ccc(CNCC[N@H+](C)[C@H](C)CC)cc1OC ZINC000217385268 521003408 /nfs/dbraw/zinc/00/34/08/521003408.db2.gz BUECILNWKWZRKQ-CQSZACIVSA-N 1 0 294.439 2.914 20 70 CFIDRO CCCN(CC1CC1)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160807600 521621250 /nfs/dbraw/zinc/62/12/50/521621250.db2.gz HXCUAMYZISXFQY-OAHLLOKOSA-N 1 0 293.455 2.835 20 70 CFIDRO CCOCCC1(CNC(=O)[C@H]2CCCC[N@@H+]2CC)CCC1 ZINC000159614211 521689240 /nfs/dbraw/zinc/68/92/40/521689240.db2.gz GSNLAWXOGWPXQA-OAHLLOKOSA-N 1 0 296.455 2.574 20 70 CFIDRO CCOCCC[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000160462252 521706731 /nfs/dbraw/zinc/70/67/31/521706731.db2.gz YAVVPTYMCWWCSN-AWEZNQCLSA-N 1 0 277.364 2.979 20 70 CFIDRO CCSCc1cccc(NC(=O)[C@H]2CCC[NH2+]C2)c1 ZINC000161481188 521718827 /nfs/dbraw/zinc/71/88/27/521718827.db2.gz VNVCSXKHRYJHBI-ZDUSSCGKSA-N 1 0 278.421 2.878 20 70 CFIDRO [NH3+]CCCNC(=O)CCCc1csc2ccccc12 ZINC000160132166 534611167 /nfs/dbraw/zinc/61/11/67/534611167.db2.gz CSBBFXCODKCURT-UHFFFAOYSA-N 1 0 276.405 2.689 20 70 CFIDRO COC[C@@H]([NH2+]CCCCc1nc(C)cs1)C1CC1 ZINC000160725256 522349936 /nfs/dbraw/zinc/34/99/36/522349936.db2.gz BEUMQXKDFGUEIZ-CYBMUJFWSA-N 1 0 268.426 2.789 20 70 CFIDRO COC[C@@H]([NH2+]C[C@@H](C)N(C)Cc1ccccc1)C(C)C ZINC000160882140 522355385 /nfs/dbraw/zinc/35/53/85/522355385.db2.gz QJSAVUFUPCJMRU-NVXWUHKLSA-N 1 0 278.440 2.768 20 70 CFIDRO C[NH2+][C@@H]1CCN(C(=O)c2cc(C(C)C)nc3ccccc32)C1 ZINC000160783770 522391832 /nfs/dbraw/zinc/39/18/32/522391832.db2.gz SLIAJWPFILQZRP-CYBMUJFWSA-N 1 0 297.402 2.792 20 70 CFIDRO CC[C@H]([NH2+][C@@H](CCO)CSC)c1ccccc1OC ZINC000160375150 522706203 /nfs/dbraw/zinc/70/62/03/522706203.db2.gz JRBRVYYUXKVODF-JSGCOSHPSA-N 1 0 283.437 2.850 20 70 CFIDRO CC[C@@H]([NH2+][C@@H](CCCO)c1ccccc1)[C@H]1CCOC1 ZINC000160850945 522920391 /nfs/dbraw/zinc/92/03/91/522920391.db2.gz ZFCFXOCBTWUPRC-BBWFWOEESA-N 1 0 277.408 2.905 20 70 CFIDRO CC[C@H]1C[N@H+](Cc2c(C)nc3ccccn32)CCS1 ZINC000160883847 523285623 /nfs/dbraw/zinc/28/56/23/523285623.db2.gz GKBAUUOHISBUPC-ZDUSSCGKSA-N 1 0 275.421 2.970 20 70 CFIDRO CCn1cc([C@H](C)[NH2+]C[C@H]2CC(=O)Nc3ccccc32)cn1 ZINC000160645593 523472814 /nfs/dbraw/zinc/47/28/14/523472814.db2.gz GEYKXRFYRQYNKH-QWHCGFSZSA-N 1 0 298.390 2.680 20 70 CFIDRO CC[C@](C)(O)C[NH+]1CCC(OCC2CCCC2)CC1 ZINC000161482340 523490898 /nfs/dbraw/zinc/49/08/98/523490898.db2.gz PVNPQSRQZSYLAY-INIZCTEOSA-N 1 0 269.429 2.819 20 70 CFIDRO CCn1nc(C[NH2+]CC(C)(C)OC)c2ccccc21 ZINC000160247143 523676183 /nfs/dbraw/zinc/67/61/83/523676183.db2.gz UMWXDNQHFZNLFF-UHFFFAOYSA-N 1 0 261.369 2.571 20 70 CFIDRO CN(C(=O)/C=C/C1CCCCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161364657 523771665 /nfs/dbraw/zinc/77/16/65/523771665.db2.gz OEVWHVLUJCQARP-NUUMQCRXSA-N 1 0 276.424 2.864 20 70 CFIDRO C[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccc(Cl)s1 ZINC000159402553 524148842 /nfs/dbraw/zinc/14/88/42/524148842.db2.gz KNJWMMMSLAQCIO-MXWKQRLJSA-N 1 0 298.839 2.858 20 70 CFIDRO C[C@H](CNC(=O)[C@H]1CCC[C@@H](C)C1)C[NH+]1CCCC1 ZINC000161074359 524450965 /nfs/dbraw/zinc/45/09/65/524450965.db2.gz AVMVUJAQPFNJDG-KFWWJZLASA-N 1 0 266.429 2.661 20 70 CFIDRO COc1ccc(OC)c(CC[NH2+][C@H](C)C2CCOCC2)c1 ZINC000161440343 524821645 /nfs/dbraw/zinc/82/16/45/524821645.db2.gz JAWRONASXUWSSM-CYBMUJFWSA-N 1 0 293.407 2.651 20 70 CFIDRO Cc1cccc([C@@H](C)[NH2+][C@@H](C)C(=O)NCC(F)(F)F)c1 ZINC000159837679 524829562 /nfs/dbraw/zinc/82/95/62/524829562.db2.gz APAYRXPDPBPQEB-MNOVXSKESA-N 1 0 288.313 2.713 20 70 CFIDRO Cc1cc(Cl)ccc1C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000161333036 524882160 /nfs/dbraw/zinc/88/21/60/524882160.db2.gz MDKXYMDIGQEYPV-CQSZACIVSA-N 1 0 292.810 2.959 20 70 CFIDRO Cc1cccc([C@H]2CCC[N@@H+]2Cc2ccc(C(N)=O)cc2)n1 ZINC000159810083 524895626 /nfs/dbraw/zinc/89/56/26/524895626.db2.gz ZPNCZNSTHAAPGG-QGZVFWFLSA-N 1 0 295.386 2.826 20 70 CFIDRO C[C@H]([NH2+]CCCc1nc2c(s1)CCCC2)[C@@H]1CCOC1 ZINC000160590568 525346017 /nfs/dbraw/zinc/34/60/17/525346017.db2.gz OLECDFYMABUREJ-QWHCGFSZSA-N 1 0 294.464 2.969 20 70 CFIDRO C[C@H]([NH2+]C[C@@H]1CC(=O)Nc2ccccc21)C1CCOCC1 ZINC000160738725 525384143 /nfs/dbraw/zinc/38/41/43/525384143.db2.gz WFAZOKCPIQIOIA-JSGCOSHPSA-N 1 0 288.391 2.517 20 70 CFIDRO C[C@@H]([NH2+]CC1(CO)CCCC1)c1ccc2c(c1)OCO2 ZINC000160094882 525421617 /nfs/dbraw/zinc/42/16/17/525421617.db2.gz QNTRAIVHHNGAOR-GFCCVEGCSA-N 1 0 277.364 2.619 20 70 CFIDRO C[C@@H]([NH2+]CCCc1nc2c(s1)CCCC2)[C@@H]1CCOC1 ZINC000160590677 525444447 /nfs/dbraw/zinc/44/44/47/525444447.db2.gz OLECDFYMABUREJ-CHWSQXEVSA-N 1 0 294.464 2.969 20 70 CFIDRO C[C@@H]([NH2+]C[C@@H]1CC(=O)Nc2ccccc21)c1cncc(F)c1 ZINC000160682132 525477694 /nfs/dbraw/zinc/47/76/94/525477694.db2.gz HNAPIQNQNGUGHD-YPMHNXCESA-N 1 0 299.349 2.997 20 70 CFIDRO CSCC[N@H+](C)CCN(C)Cc1ccc(F)cc1 ZINC000160275638 525495770 /nfs/dbraw/zinc/49/57/70/525495770.db2.gz FQCGBLYWJOTDBM-UHFFFAOYSA-N 1 0 270.417 2.552 20 70 CFIDRO C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CCCN1CCCC1=O ZINC000159589786 525524210 /nfs/dbraw/zinc/52/42/10/525524210.db2.gz DPPWIWQERBZFTL-SJKOYZFVSA-N 1 0 290.382 2.661 20 70 CFIDRO CSC[C@@H](CCO)[NH2+][C@H](C)c1ccc(C)cc1 ZINC000160396967 525642032 /nfs/dbraw/zinc/64/20/32/525642032.db2.gz AEIQYPQWJWNMJX-TZMCWYRMSA-N 1 0 253.411 2.760 20 70 CFIDRO C[C@H](O)C(C)(C)[NH2+]Cc1ccc(Br)s1 ZINC000160601279 525697299 /nfs/dbraw/zinc/69/72/99/525697299.db2.gz SJUNIUWDWJSSFL-ZETCQYMHSA-N 1 0 278.215 2.760 20 70 CFIDRO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1CC[NH+](C(C)C)CC1 ZINC000161111090 525875464 /nfs/dbraw/zinc/87/54/64/525875464.db2.gz MVDISTYJVZIEDS-KGLIPLIRSA-N 1 0 292.448 2.713 20 70 CFIDRO Cc1ccsc1[C@H]1C[C@H]1C(=O)NCC(C)(C)C[NH+](C)C ZINC000159910270 525896356 /nfs/dbraw/zinc/89/63/56/525896356.db2.gz PCEKZHYZDCRDEM-QWHCGFSZSA-N 1 0 294.464 2.864 20 70 CFIDRO Cc1ccc(C(=O)CC[NH+]2CCC(c3nnc[nH]3)CC2)cc1 ZINC000160092145 526042762 /nfs/dbraw/zinc/04/27/62/526042762.db2.gz JMQPFDBJTIZJPW-UHFFFAOYSA-N 1 0 298.390 2.566 20 70 CFIDRO Cc1csc(CCCC[NH2+][C@H](C)[C@@H]2CCOC2)n1 ZINC000160651608 526340456 /nfs/dbraw/zinc/34/04/56/526340456.db2.gz RUZIJQAOQBLWFQ-CHWSQXEVSA-N 1 0 268.426 2.789 20 70 CFIDRO Fc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000159510337 526340884 /nfs/dbraw/zinc/34/08/84/526340884.db2.gz QZRZUIPBBRYRDZ-KFWWJZLASA-N 1 0 261.340 2.873 20 70 CFIDRO c1cc2cccc(C[NH2+]CCc3cccnc3)c2[nH]1 ZINC000218101203 526449548 /nfs/dbraw/zinc/44/95/48/526449548.db2.gz MRIPVECZTZCHKI-UHFFFAOYSA-N 1 0 251.333 2.895 20 70 CFIDRO c1ccc2c(c1)ncnc2N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217362301 526514837 /nfs/dbraw/zinc/51/48/37/526514837.db2.gz XUHDIVSSEFFKHS-CABCVRRESA-N 1 0 268.364 2.669 20 70 CFIDRO c1nc2ccccn2c1C[NH+](CC1CC1)CC1CC1 ZINC000160461295 526609872 /nfs/dbraw/zinc/60/98/72/526609872.db2.gz LLNIOLXOMOSRCR-UHFFFAOYSA-N 1 0 255.365 2.956 20 70 CFIDRO Cc1nc2ccccn2c1CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000160561933 527177788 /nfs/dbraw/zinc/17/77/88/527177788.db2.gz MQLULPPXEXLWPA-INIZCTEOSA-N 1 0 298.434 2.560 20 70 CFIDRO OCC[NH2+]C(Cc1ccccc1F)Cc1ccccc1F ZINC000159692372 527553177 /nfs/dbraw/zinc/55/31/77/527553177.db2.gz QBBZKNQUJRCDHB-UHFFFAOYSA-N 1 0 291.341 2.701 20 70 CFIDRO CC[N@@H+]1CCCN(C(=O)NCC2(CC)CCCC2)CC1 ZINC000159990531 529022619 /nfs/dbraw/zinc/02/26/19/529022619.db2.gz BVFNREDIZKHIGW-UHFFFAOYSA-N 1 0 281.444 2.694 20 70 CFIDRO CC(C)([NH3+])CNC(=O)Cc1coc2ccc3ccccc3c12 ZINC000159927071 348015340 /nfs/dbraw/zinc/01/53/40/348015340.db2.gz HPGWNXJOUSTWEU-UHFFFAOYSA-N 1 0 296.370 2.982 20 70 CFIDRO C[C@@H](CN(C)C)[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000160340081 348016953 /nfs/dbraw/zinc/01/69/53/348016953.db2.gz TVWDBHBMVPPJLX-NSHDSACASA-N 1 0 277.799 2.928 20 70 CFIDRO O=C(NCCCC1CC1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160401763 348018304 /nfs/dbraw/zinc/01/83/04/348018304.db2.gz NCDYJIXYMHIPLN-MRXNPFEDSA-N 1 0 293.455 2.837 20 70 CFIDRO C[C@H](CC(=O)NCCCC(C)(C)C)[C@@H]1CCC[NH2+]C1 ZINC000160538246 348018992 /nfs/dbraw/zinc/01/89/92/348018992.db2.gz JBKAQMIXBQYJAQ-ZIAGYGMSSA-N 1 0 268.445 2.955 20 70 CFIDRO CC(C)[C@@H]1CCCCN1C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160625397 348019214 /nfs/dbraw/zinc/01/92/14/348019214.db2.gz WQARAVSITYZTDG-HOTGVXAUSA-N 1 0 293.455 2.691 20 70 CFIDRO Cc1ccc2c(c1)N(C(=O)N[C@H]1CC[N@H+](CC3CC3)C1)CC2 ZINC000160652378 348019725 /nfs/dbraw/zinc/01/97/25/348019725.db2.gz KBAKYBAQYYUAGO-INIZCTEOSA-N 1 0 299.418 2.551 20 70 CFIDRO CCO[C@H]1C[C@H]([NH2+]Cc2nn(C)c3ccccc23)C1(C)C ZINC000217879904 348165862 /nfs/dbraw/zinc/16/58/62/348165862.db2.gz CKQVJJGGWWUJBC-HOTGVXAUSA-N 1 0 287.407 2.867 20 70 CFIDRO CC[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]CCN ZINC000218291195 348166281 /nfs/dbraw/zinc/16/62/81/348166281.db2.gz JKOBLQCUFCOUKO-NSHDSACASA-N 1 0 261.196 2.863 20 70 CFIDRO CC[N@H+](CCN[C@H]1CCCc2cccnc21)C1CC1 ZINC000217482868 539644307 /nfs/dbraw/zinc/64/43/07/539644307.db2.gz BCHYFTQEEKOWSW-HNNXBMFYSA-N 1 0 259.397 2.533 20 70 CFIDRO CC(C)CCOc1ccc(C(=O)NCC(C)(C)[NH3+])cc1 ZINC000160040332 188452627 /nfs/dbraw/zinc/45/26/27/188452627.db2.gz QRUKPAMEQOHOOC-UHFFFAOYSA-N 1 0 278.396 2.579 20 70 CFIDRO COc1cc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)ccc1F ZINC000160354999 188468143 /nfs/dbraw/zinc/46/81/43/188468143.db2.gz UPBUNYUICFABHT-SWHYSGLUSA-N 1 0 292.354 2.694 20 70 CFIDRO C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCSC2)C1)c1cccnc1 ZINC000160918014 188498025 /nfs/dbraw/zinc/49/80/25/188498025.db2.gz OMVSSRYJXUBXEX-CFVMTHIKSA-N 1 0 278.421 2.787 20 70 CFIDRO CC[C@H](COC)[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000161147374 188511327 /nfs/dbraw/zinc/51/13/27/188511327.db2.gz CLLXMAYJFLTSFR-RHSMWYFYSA-N 1 0 291.391 2.924 20 70 CFIDRO Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)[C@@H](C)[NH3+])cc1 ZINC000161234781 188516470 /nfs/dbraw/zinc/51/64/70/188516470.db2.gz AURGJYPCEQUJAM-NFAWXSAZSA-N 1 0 260.381 2.642 20 70 CFIDRO C[C@@H]1CCN(C(=O)C[C@@H]2CCC[NH2+]2)[C@@H]1c1cccc(F)c1 ZINC000161487558 188531358 /nfs/dbraw/zinc/53/13/58/188531358.db2.gz QBIRLYUXELQRFI-PVUWLOKVSA-N 1 0 290.382 2.877 20 70 CFIDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@H]1CCC[C@H](C)C1 ZINC000160366124 295906561 /nfs/dbraw/zinc/90/65/61/295906561.db2.gz RDYRHDOSNIIEDN-KKUMJFAQSA-N 1 0 266.429 2.803 20 70 CFIDRO CC[C@H](NC(=O)c1ccc(C[NH3+])o1)c1ccc(F)cc1F ZINC000159728478 540661631 /nfs/dbraw/zinc/66/16/31/540661631.db2.gz YGURKBPRWXAGNI-ZDUSSCGKSA-N 1 0 294.301 2.898 20 70 CFIDRO CCCn1nccc1CNCCC[N@@H+]1CCCC[C@@H]1C ZINC000159962039 540666380 /nfs/dbraw/zinc/66/63/80/540666380.db2.gz HINSGKPYCSMEJV-HNNXBMFYSA-N 1 0 278.444 2.647 20 70 CFIDRO O[C@H]1CCCC[C@@H]1C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000160560933 540675463 /nfs/dbraw/zinc/67/54/63/540675463.db2.gz ASQRJOOCRWZIHP-KCXAZCMYSA-N 1 0 263.356 2.954 20 70 CFIDRO [NH3+][C@H]1CCC[C@H](NC(=O)C2(c3cccc(F)c3)CCC2)C1 ZINC000160881045 540682322 /nfs/dbraw/zinc/68/23/22/540682322.db2.gz MRVSOQHJVXSMDZ-GJZGRUSLSA-N 1 0 290.382 2.634 20 70 CFIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000160966978 540684627 /nfs/dbraw/zinc/68/46/27/540684627.db2.gz SWUQHLTVTBPNKV-ZJUUUORDSA-N 1 0 287.190 2.993 20 70 CFIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000160966869 540684753 /nfs/dbraw/zinc/68/47/53/540684753.db2.gz SWUQHLTVTBPNKV-NXEZZACHSA-N 1 0 287.190 2.993 20 70 CFIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C2(Cc3ccccc3)CCC2)C1 ZINC000161018749 540687233 /nfs/dbraw/zinc/68/72/33/540687233.db2.gz CQWFZMGHKMRFCM-HZPDHXFCSA-N 1 0 286.419 2.786 20 70 CFIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2ccc(Cl)cc2Cl)C1 ZINC000161178653 540690355 /nfs/dbraw/zinc/69/03/55/540690355.db2.gz RSCGTRCJDMUGRD-VHSXEESVSA-N 1 0 287.190 2.993 20 70 CFIDRO Cc1onc(-c2ccccc2)c1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000161386024 540692737 /nfs/dbraw/zinc/69/27/37/540692737.db2.gz GQTSWSGHOQJIQX-KGLIPLIRSA-N 1 0 299.374 2.650 20 70 CFIDRO Cc1ccc(C)c(SCC(=O)N[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000161418687 540692833 /nfs/dbraw/zinc/69/28/33/540692833.db2.gz QVFCZCKYWXKUTL-KBPBESRZSA-N 1 0 292.448 2.782 20 70 CFIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C2(c3ccccc3)CCCC2)C1 ZINC000161387585 540692983 /nfs/dbraw/zinc/69/29/83/540692983.db2.gz IDHLUMNYHXAYCZ-HZPDHXFCSA-N 1 0 286.419 2.885 20 70 CFIDRO CCC[NH+]1CCC(NCc2c(CC)nn(C)c2CC)CC1 ZINC000159631672 541002990 /nfs/dbraw/zinc/00/29/90/541002990.db2.gz GGMXIYCTQRZOTM-UHFFFAOYSA-N 1 0 292.471 2.509 20 70 CFIDRO CC[NH+](CC)[C@@H]1CCN(C(=O)C[C@@H](C)c2ccncc2)C1 ZINC000160824429 541479888 /nfs/dbraw/zinc/47/98/88/541479888.db2.gz LHSXUSYXTYTXBS-GDBMZVCRSA-N 1 0 289.423 2.518 20 70 CFIDRO Cc1ccc(NC(=O)NCCC[NH+]2CCC(C)CC2)cn1 ZINC000161408885 541626950 /nfs/dbraw/zinc/62/69/50/541626950.db2.gz BDYCYJINTKCTAC-UHFFFAOYSA-N 1 0 290.411 2.634 20 70 CFIDRO CC[N@H+](CCCCS(C)(=O)=O)Cc1ccccc1C ZINC000161428486 541630281 /nfs/dbraw/zinc/63/02/81/541630281.db2.gz ZHVOBFQLDFYGRY-UHFFFAOYSA-N 1 0 283.437 2.642 20 70 CFIDRO Cc1ccc([C@H](C)[N@H+](C)CCCCS(C)(=O)=O)cc1 ZINC000161467273 541647150 /nfs/dbraw/zinc/64/71/50/541647150.db2.gz REHXSLGYAMRCHE-AWEZNQCLSA-N 1 0 283.437 2.813 20 70 CFIDRO C[N@H+](CCCCc1ccccc1)CCCCS(C)(=O)=O ZINC000161484956 541653573 /nfs/dbraw/zinc/65/35/73/541653573.db2.gz YWQIPFJUHFCINZ-UHFFFAOYSA-N 1 0 297.464 2.766 20 70 CFIDRO COc1cccc(CCC[N@H+](C)C[C@@H]2CCC[C@@H]2O)c1 ZINC000159866312 378736115 /nfs/dbraw/zinc/73/61/15/378736115.db2.gz ZGQGWCMXBDSYLO-RDJZCZTQSA-N 1 0 277.408 2.721 20 70 CFIDRO CC[NH+]1CCC(NC(=O)[C@H]2C[C@H]2c2sccc2C)CC1 ZINC000159912362 378736740 /nfs/dbraw/zinc/73/67/40/378736740.db2.gz FTCKFDNGDLWQGB-KGLIPLIRSA-N 1 0 292.448 2.761 20 70 CFIDRO CC[C@H]([NH2+]C[C@H](C)N1CCc2ccccc21)c1cnn(C)c1 ZINC000159903360 378736907 /nfs/dbraw/zinc/73/69/07/378736907.db2.gz RDDKSSAIUYDYJA-YOEHRIQHSA-N 1 0 298.434 2.912 20 70 CFIDRO C[C@@H]([NH2+]C[C@H](C)N1CCc2ccccc21)c1cnn(C)c1 ZINC000159920978 378738310 /nfs/dbraw/zinc/73/83/10/378738310.db2.gz OZFNHOQQWRUWDT-UONOGXRCSA-N 1 0 284.407 2.522 20 70 CFIDRO COc1cc(N[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)ccc1F ZINC000159953071 378738472 /nfs/dbraw/zinc/73/84/72/378738472.db2.gz NQELQXUNNKDXGB-JTNHKYCSSA-N 1 0 266.360 2.975 20 70 CFIDRO CSc1cc(C(=O)NCCC[NH3+])c(Cl)cc1Cl ZINC000160067203 378747421 /nfs/dbraw/zinc/74/74/21/378747421.db2.gz IDKGRBPAALAEJR-UHFFFAOYSA-N 1 0 293.219 2.794 20 70 CFIDRO CCCCNC(=O)c1ccc(C[NH2+][C@H](CC)COC)cc1 ZINC000160117455 378749669 /nfs/dbraw/zinc/74/96/69/378749669.db2.gz HIXFJBDTIDFUKI-MRXNPFEDSA-N 1 0 292.423 2.731 20 70 CFIDRO CN(Cc1cc(F)cc2cccnc21)[C@H](C[NH3+])C1CC1 ZINC000160108793 378750635 /nfs/dbraw/zinc/75/06/35/378750635.db2.gz KAEMNFPPCMBDJU-OAHLLOKOSA-N 1 0 273.355 2.543 20 70 CFIDRO CSC[C@@H](CCO)[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000160146316 378751836 /nfs/dbraw/zinc/75/18/36/378751836.db2.gz VEISNCRRWRKHRZ-DUTNFGBUSA-N 1 0 269.454 2.515 20 70 CFIDRO CCNC(=O)c1cccc(C[NH2+][C@H](C)[C@H](C)CC)c1 ZINC000160160620 378752710 /nfs/dbraw/zinc/75/27/10/378752710.db2.gz CQURXAOVJTTWHF-CHWSQXEVSA-N 1 0 262.397 2.961 20 70 CFIDRO C[N@H+](CCCOCCc1ccccc1)C[C@@H]1CCC[C@@H]1O ZINC000159483197 378711818 /nfs/dbraw/zinc/71/18/18/378711818.db2.gz GQKUQWFCAIAMLW-ROUUACIJSA-N 1 0 291.435 2.729 20 70 CFIDRO CCc1nc(C)c([C@H](C)[NH2+]CCCN2CCCC2=O)s1 ZINC000159472102 378712556 /nfs/dbraw/zinc/71/25/56/378712556.db2.gz NOIXBTMIFOXBMR-NSHDSACASA-N 1 0 295.452 2.677 20 70 CFIDRO COc1ccc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000159598085 378718609 /nfs/dbraw/zinc/71/86/09/378718609.db2.gz XGHVOCUPRGLLBM-JYJNAYRXSA-N 1 0 273.376 2.742 20 70 CFIDRO CCc1ccc([C@@H](C)[NH2+]CCCN2CCCC2=O)s1 ZINC000159579345 378719153 /nfs/dbraw/zinc/71/91/53/378719153.db2.gz AVYINGJYVGIOCU-GFCCVEGCSA-N 1 0 280.437 2.974 20 70 CFIDRO C[C@@H](Cc1cccc(F)c1)C(=O)NCC1([NH3+])CCCCC1 ZINC000159627895 378721541 /nfs/dbraw/zinc/72/15/41/378721541.db2.gz HASZMBACOBXFNH-ZDUSSCGKSA-N 1 0 292.398 2.782 20 70 CFIDRO Cc1ccc([C@H](C)CNC(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2[NH3+])cc1 ZINC000159656809 378723369 /nfs/dbraw/zinc/72/33/69/378723369.db2.gz ZQSUNXSPYFHRLC-CMZRPVNOSA-N 1 0 286.419 2.588 20 70 CFIDRO Cc1c2ccccc2oc1[C@H](NC(=O)[C@@H](C)[NH3+])C(C)C ZINC000159696060 378724809 /nfs/dbraw/zinc/72/48/09/378724809.db2.gz HEVHRLACGVYTRY-BXUZGUMPSA-N 1 0 274.364 2.902 20 70 CFIDRO CSCC[C@@H]([NH3+])C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000159724358 378726314 /nfs/dbraw/zinc/72/63/14/378726314.db2.gz LDNIMBRCQPPYDU-RBSFLKMASA-N 1 0 292.448 2.519 20 70 CFIDRO COCCCC[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159771699 378729155 /nfs/dbraw/zinc/72/91/55/378729155.db2.gz UAEHQPUZKQXFAB-UHFFFAOYSA-N 1 0 250.386 2.611 20 70 CFIDRO CCC[C@@H]([NH3+])C(=O)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000159811515 378731322 /nfs/dbraw/zinc/73/13/22/378731322.db2.gz HZOMLMNITPCLER-GXTWGEPZSA-N 1 0 280.799 2.783 20 70 CFIDRO CC(C)[C@H]([NH3+])C(=O)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000159812712 378731664 /nfs/dbraw/zinc/73/16/64/378731664.db2.gz NOQQKEZABVNVPM-JSGCOSHPSA-N 1 0 280.799 2.639 20 70 CFIDRO COc1cc(NC(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)ccc1F ZINC000160333029 378763717 /nfs/dbraw/zinc/76/37/17/378763717.db2.gz DVEOVNWBKMQILH-VXGBXAGGSA-N 1 0 294.370 2.799 20 70 CFIDRO CC(C)[C@@H](CO)[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000160335400 378763898 /nfs/dbraw/zinc/76/38/98/378763898.db2.gz LEIOFJIKXNKIQW-CQSZACIVSA-N 1 0 278.783 2.995 20 70 CFIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc3c(c1)CCC3)CC2 ZINC000160383371 378768852 /nfs/dbraw/zinc/76/88/52/378768852.db2.gz YKLMBOJYXHFYOI-PXAZEXFGSA-N 1 0 296.418 2.741 20 70 CFIDRO CC/C(=C/C(=O)N1CCC[C@@H]1C[NH3+])c1ccc(C)cc1 ZINC000160399119 378769116 /nfs/dbraw/zinc/76/91/16/378769116.db2.gz NODHRZCALZUFDK-SYCZXOQXSA-N 1 0 272.392 2.738 20 70 CFIDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@H]2CCOC(C)(C)C2)C1 ZINC000160530179 378779593 /nfs/dbraw/zinc/77/95/93/378779593.db2.gz HFDOBPONRZMDLP-QWHCGFSZSA-N 1 0 298.427 2.543 20 70 CFIDRO O=C(C[C@H]1CCC[NH2+]1)Nc1ccccc1OCC1CC1 ZINC000160527460 378779691 /nfs/dbraw/zinc/77/96/91/378779691.db2.gz CMJHKPJRNWTTKM-CYBMUJFWSA-N 1 0 274.364 2.556 20 70 CFIDRO CCc1nnc(C[NH2+][C@H](Cc2ccc(F)cc2)C(C)C)[nH]1 ZINC000160636728 378787354 /nfs/dbraw/zinc/78/73/54/378787354.db2.gz WBSMBLMPEKDVBH-CQSZACIVSA-N 1 0 290.386 2.863 20 70 CFIDRO C[C@@]1(CNc2ncccn2)CCC[N@@H+]1Cc1ccccc1 ZINC000160792905 378800897 /nfs/dbraw/zinc/80/08/97/378800897.db2.gz YIVHEBKOJYUPMS-KRWDZBQOSA-N 1 0 282.391 2.943 20 70 CFIDRO CC(C)[C@@H](C)[NH2+][C@@H](CN1CCCC1=O)c1ccccc1 ZINC000160683537 378790939 /nfs/dbraw/zinc/79/09/39/378790939.db2.gz XYNBSQUWTUNKKJ-ZBFHGGJFSA-N 1 0 274.408 2.984 20 70 CFIDRO CCCOc1cccc(C[N@H+](CCC)CCO)c1 ZINC000161222298 378831515 /nfs/dbraw/zinc/83/15/15/378831515.db2.gz DZDZQLDHRANMGH-UHFFFAOYSA-N 1 0 251.370 2.680 20 70 CFIDRO C[C@H](C[NH2+][C@H](C)[C@@H]1CCOC1)N(C)Cc1ccccc1 ZINC000160858602 378803926 /nfs/dbraw/zinc/80/39/26/378803926.db2.gz AQXVPZBODNXECA-BFYDXBDKSA-N 1 0 276.424 2.522 20 70 CFIDRO O=C(CCC[NH2+]Cc1ccc(Cl)cc1F)NC1CC1 ZINC000160857124 378804316 /nfs/dbraw/zinc/80/43/16/378804316.db2.gz KZEVNVNVZNUWPA-UHFFFAOYSA-N 1 0 284.762 2.628 20 70 CFIDRO COCC[C@@H](C)[NH2+][C@H](CCCO)c1ccccc1 ZINC000160874620 378805540 /nfs/dbraw/zinc/80/55/40/378805540.db2.gz SJQZIVRQSJWRPX-UKRRQHHQSA-N 1 0 251.370 2.515 20 70 CFIDRO CC[C@H](COC)[NH2+]C[C@@H](C)N(C)Cc1ccccc1 ZINC000160888514 378806939 /nfs/dbraw/zinc/80/69/39/378806939.db2.gz VZXPQFBCBRZYTF-GDBMZVCRSA-N 1 0 264.413 2.522 20 70 CFIDRO COC[C@@H](Cc1ccccc1)[NH2+][C@H](CCO)c1ccccc1 ZINC000161027708 378816643 /nfs/dbraw/zinc/81/66/43/378816643.db2.gz WXTSOAKELPQGMU-RTBURBONSA-N 1 0 299.414 2.957 20 70 CFIDRO CC[NH2+]CC1CCN(C(=O)[C@@H](C)c2cccs2)CC1 ZINC000161054495 378818139 /nfs/dbraw/zinc/81/81/39/378818139.db2.gz APBJBQYHRKPTAU-LBPRGKRZSA-N 1 0 280.437 2.700 20 70 CFIDRO Cc1ncc([C@@H](C)N[C@H]2CCC[C@H]([NH+](C)C)C2)c(C)n1 ZINC000161050366 378818184 /nfs/dbraw/zinc/81/81/84/378818184.db2.gz RQGJJSSYRWPINS-SNPRPXQTSA-N 1 0 276.428 2.617 20 70 CFIDRO CC[C@H](Cc1ccccc1)N(C)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000161105558 378821052 /nfs/dbraw/zinc/82/10/52/378821052.db2.gz MSCGNGAHDTUDGS-OWCLPIDISA-N 1 0 274.408 2.594 20 70 CFIDRO CC(C)([NH3+])C(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000161134703 378824933 /nfs/dbraw/zinc/82/49/33/378824933.db2.gz ORXCHLCRNAPGQW-UHFFFAOYSA-N 1 0 276.380 2.822 20 70 CFIDRO Cc1ccccc1OCC[NH2+][C@H]1CCCc2c1cnn2C ZINC000161362607 378841450 /nfs/dbraw/zinc/84/14/50/378841450.db2.gz WSCLGTIDJJORAX-HNNXBMFYSA-N 1 0 285.391 2.775 20 70 CFIDRO COC(C[N@@H+]1CC[C@@H](C)C[C@@H]1c1ccc(C)o1)OC ZINC000161337731 378841723 /nfs/dbraw/zinc/84/17/23/378841723.db2.gz GXQZQALMUJUHOS-DGCLKSJQSA-N 1 0 267.369 2.980 20 70 CFIDRO Cc1cccc([C@H](C)C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000161435828 378846744 /nfs/dbraw/zinc/84/67/44/378846744.db2.gz JQQVEOHICJFAHJ-JTUUTPGSSA-N 1 0 286.419 2.840 20 70 CFIDRO C[C@H](C[NH2+][C@@H](C)[C@@H]1CCOC1)COCc1ccccc1 ZINC000161297093 378837292 /nfs/dbraw/zinc/83/72/92/378837292.db2.gz ZRWNNBXTZCHYAY-HLLBOEOZSA-N 1 0 277.408 2.854 20 70 CFIDRO COCC[C@H](C)[NH2+]C[C@@H](C)COCc1ccccc1 ZINC000161309142 378837922 /nfs/dbraw/zinc/83/79/22/378837922.db2.gz GKMDJAPCHCUZLS-CABCVRRESA-N 1 0 265.397 2.854 20 70 CFIDRO CSc1cc(C(=O)NC[C@@H](C2CC2)[NH+](C)C)ccc1F ZINC000159463294 322322735 /nfs/dbraw/zinc/32/27/35/322322735.db2.gz UDMPWOUFGKKFIU-ZDUSSCGKSA-N 1 0 296.411 2.618 20 70 CFIDRO CC(C)(C)CCNC(=O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000159724573 322327494 /nfs/dbraw/zinc/32/74/94/322327494.db2.gz NYHIBMGNIUAHDN-KBPBESRZSA-N 1 0 266.429 2.803 20 70 CFIDRO CC[C@@H](C)[N@H+](C)CCNCc1cccc2c1OCCCO2 ZINC000217397041 382786110 /nfs/dbraw/zinc/78/61/10/382786110.db2.gz YIOXKFSUCFHYBY-CQSZACIVSA-N 1 0 292.423 2.668 20 70 CFIDRO CC[C@H](C)N(C)CC[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000217374174 382786483 /nfs/dbraw/zinc/78/64/83/382786483.db2.gz FUBFZYGBADIELY-HNNXBMFYSA-N 1 0 286.423 2.692 20 70 CFIDRO C[C@H](CCc1ccc(O)cc1)[NH2+][C@@H]1CCN2CCCC[C@@H]12 ZINC000217688170 382787159 /nfs/dbraw/zinc/78/71/59/382787159.db2.gz FAIXWBQUCRDEGP-OLMNPRSZSA-N 1 0 288.435 2.930 20 70 CFIDRO Fc1ccc(F)c(CN[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000217635128 382787611 /nfs/dbraw/zinc/78/76/11/382787611.db2.gz UFGKKDCBHFYLMR-GJZGRUSLSA-N 1 0 266.335 2.681 20 70 CFIDRO CCCn1c(C[NH2+]CCOCC2CC2)nc2ccccc21 ZINC000217802890 382787816 /nfs/dbraw/zinc/78/78/16/382787816.db2.gz GUNQWLPRMJQJMV-UHFFFAOYSA-N 1 0 287.407 2.963 20 70 CFIDRO COc1ccc([C@H]2CC[N@H+](CCOCC3CC3)C2)cc1 ZINC000160032618 533206329 /nfs/dbraw/zinc/20/63/29/533206329.db2.gz SUCLLBVUBVYHDL-INIZCTEOSA-N 1 0 275.392 2.911 20 70 CFIDRO COc1ccc2c(c1)CN(CCC[NH+]1CCCCC1)CC2 ZINC000160690756 533261395 /nfs/dbraw/zinc/26/13/95/533261395.db2.gz CUWZMTJATRFEFM-UHFFFAOYSA-N 1 0 288.435 2.929 20 70 CFIDRO CC1(C)C[C@H](NC(=O)C[C@@H]2CCC[NH2+]2)c2ccccc2O1 ZINC000160345104 394366494 /nfs/dbraw/zinc/36/64/94/394366494.db2.gz ILQPSGOUJVWETC-JSGCOSHPSA-N 1 0 288.391 2.547 20 70 CFIDRO CC(C)CNC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C(C)C ZINC000160356892 394366606 /nfs/dbraw/zinc/36/66/06/394366606.db2.gz LQIGQNDQRUMGBF-RRFJBIMHSA-N 1 0 268.445 2.952 20 70 CFIDRO CC(C)C[C@@H]1CCCCN1C(=O)C[C@@H]1CCC[NH2+]1 ZINC000160876005 394366764 /nfs/dbraw/zinc/36/67/64/394366764.db2.gz NJHVGIWKIBRFBG-KBPBESRZSA-N 1 0 252.402 2.556 20 70 CFIDRO Cc1cccc([C@H]2CCCCCN2C(=O)[C@@H](C)[NH3+])c1 ZINC000160984342 394366802 /nfs/dbraw/zinc/36/68/02/394366802.db2.gz SMCCYTNIFZPSIR-UKRRQHHQSA-N 1 0 260.381 2.786 20 70 CFIDRO Cc1cc2cc(NC(=O)[C@]3(C)CCC[NH2+]C3)ccc2[nH]1 ZINC000161334428 394367242 /nfs/dbraw/zinc/36/72/42/394367242.db2.gz LPEZXZZXEONDML-MRXNPFEDSA-N 1 0 271.364 2.805 20 70 CFIDRO COc1cccc([C@@H](C)C(=O)NCC2([NH3+])CCCCC2)c1 ZINC000159495356 286461670 /nfs/dbraw/zinc/46/16/70/286461670.db2.gz XAPPGXHFFLGSKY-CYBMUJFWSA-N 1 0 290.407 2.577 20 70 CFIDRO CC[C@@H](COC)[NH2+][C@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC000159612463 286851611 /nfs/dbraw/zinc/85/16/11/286851611.db2.gz HRABSWQEOAQVOY-OCCSQVGLSA-N 1 0 299.436 2.556 20 70 CFIDRO C[C@@H]([NH2+]C1CCN(C)CC1)c1ccc(F)cc1N(C)C ZINC000161505721 287013099 /nfs/dbraw/zinc/01/30/99/287013099.db2.gz OXQRBTJCQUDELE-GFCCVEGCSA-N 1 0 279.403 2.637 20 70 CFIDRO C[C@@H](C[NH2+][C@@H]1CCCc2ccc(O)cc21)N(C)C1CC1 ZINC000217560013 274225498 /nfs/dbraw/zinc/22/54/98/274225498.db2.gz PRAKNHIEYHHTJA-YVEFUNNKSA-N 1 0 274.408 2.842 20 70 CFIDRO CC(C)CC1(CNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC000159374202 275561658 /nfs/dbraw/zinc/56/16/58/275561658.db2.gz GUPTUPYCOGPWNO-ZDUSSCGKSA-N 1 0 254.418 2.515 20 70 CFIDRO CCOC(CC[NH2+][C@H]1CCc2ccccc2C1)OCC ZINC000159542725 276306785 /nfs/dbraw/zinc/30/67/85/276306785.db2.gz WHNQIJPWCZARHJ-INIZCTEOSA-N 1 0 277.408 2.923 20 70 CFIDRO COc1ccc2c(c1)C[C@H]([NH2+][C@@H](C)[C@H]1CCOC1)CC2 ZINC000159563944 277966723 /nfs/dbraw/zinc/96/67/23/277966723.db2.gz XUSMWTUEUQXMME-DUVNUKRYSA-N 1 0 275.392 2.567 20 70 CFIDRO CC[C@@H]1CCC[C@H](NC(=O)N2CCC[N@H+](CC)CC2)C1 ZINC000159894389 280305287 /nfs/dbraw/zinc/30/52/87/280305287.db2.gz WEJCGXJPTVUPAK-CABCVRRESA-N 1 0 281.444 2.692 20 70 CFIDRO CC(C)C[NH2+][C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000218115984 280933245 /nfs/dbraw/zinc/93/32/45/280933245.db2.gz WALHBIAKKVYUBB-LBPRGKRZSA-N 1 0 256.390 2.535 20 70 CFIDRO CC[C@H]([NH2+]CCN(C)Cc1ccc(F)cc1)[C@@H]1CCOC1 ZINC000160135443 280937610 /nfs/dbraw/zinc/93/76/10/280937610.db2.gz HYINQECMUWEGFT-WBVHZDCISA-N 1 0 294.414 2.662 20 70 CFIDRO C[C@H]1CCC[C@@H](C(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000159370685 322321846 /nfs/dbraw/zinc/32/18/46/322321846.db2.gz YJQQMHMAVRSMOJ-QWHCGFSZSA-N 1 0 264.413 2.556 20 70 CFIDRO CC[C@H]([NH3+])C(=O)Nc1ccc(Nc2nc(C)cs2)cc1 ZINC000159422617 322322452 /nfs/dbraw/zinc/32/24/52/322322452.db2.gz ZAXBVLZOVDIRQB-LBPRGKRZSA-N 1 0 290.392 2.871 20 70 CFIDRO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C)OC1CCCCCC1 ZINC000159572723 322324505 /nfs/dbraw/zinc/32/45/05/322324505.db2.gz KDWHLXRROFUJBC-CABCVRRESA-N 1 0 296.455 2.715 20 70 CFIDRO CC[NH+]1CCC(NC(=O)[C@H](C)OC2CCCCCC2)CC1 ZINC000159585684 322324739 /nfs/dbraw/zinc/32/47/39/322324739.db2.gz GHPOQENKKNLMJQ-AWEZNQCLSA-N 1 0 296.455 2.715 20 70 CFIDRO OCC[C@H]1CCCC[N@@H+]1Cc1cccc(-n2cccn2)c1 ZINC000159703454 322326789 /nfs/dbraw/zinc/32/67/89/322326789.db2.gz ZRQCIVVAJCQTRN-MRXNPFEDSA-N 1 0 285.391 2.609 20 70 CFIDRO O=c1[nH]c(CC[N@@H+]2CC[C@@H]3CCCC[C@@H]32)nc2ccccc21 ZINC000159708838 322326859 /nfs/dbraw/zinc/32/68/59/322326859.db2.gz DCALRHPRNMMMPD-BBRMVZONSA-N 1 0 297.402 2.730 20 70 CFIDRO Cc1ccc(F)c(C[N@@H+]2CCCC[C@@H]2CCO)c1 ZINC000159702863 322326920 /nfs/dbraw/zinc/32/69/20/322326920.db2.gz XBSYFNYZTPZFBN-CQSZACIVSA-N 1 0 251.345 2.871 20 70 CFIDRO C[C@@H](C[NH2+][C@@H](C)c1cnccn1)N1CCc2ccccc2C1 ZINC000159806786 322328725 /nfs/dbraw/zinc/32/87/25/322328725.db2.gz CGSUFVRILURWSX-GJZGRUSLSA-N 1 0 296.418 2.574 20 70 CFIDRO C[N@H+](CCCCC(F)(F)F)C[C@@H]1CCC[C@@H]1O ZINC000159876014 322329389 /nfs/dbraw/zinc/32/93/89/322329389.db2.gz BCHJNVDZRIDURB-QWRGUYRKSA-N 1 0 253.308 2.812 20 70 CFIDRO CCCC(=O)Nc1cccc(C[NH2+][C@H](C)[C@@H]2CCOC2)c1 ZINC000159881199 322329396 /nfs/dbraw/zinc/32/93/96/322329396.db2.gz KMVIRKGRHDDRFQ-UKRRQHHQSA-N 1 0 290.407 2.940 20 70 CFIDRO CCC[N@H+](CC)CCNC(=O)Cc1cccc(CC)c1 ZINC000159914474 322329716 /nfs/dbraw/zinc/32/97/16/322329716.db2.gz AEOQTZYDPJAINO-UHFFFAOYSA-N 1 0 276.424 2.640 20 70 CFIDRO C/C(=C\c1ccc(Cl)cc1)C[NH2+]CC(=O)NC(C)C ZINC000159903702 322330026 /nfs/dbraw/zinc/33/00/26/322330026.db2.gz GDCUSXIBFNMUEY-XYOKQWHBSA-N 1 0 280.799 2.858 20 70 CFIDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2(C)CCC2)C1 ZINC000159910974 322330037 /nfs/dbraw/zinc/33/00/37/322330037.db2.gz KRBRPYAQJIFZLE-ZDUSSCGKSA-N 1 0 281.444 2.739 20 70 CFIDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NC1(C)CCC1 ZINC000159937939 322330518 /nfs/dbraw/zinc/33/05/18/322330518.db2.gz ZCXXEGULBGDVSK-MGPQQGTHSA-N 1 0 281.444 2.595 20 70 CFIDRO CCC[N@H+](CC)CCNC(=O)NCC1(C2CC2)CCC1 ZINC000159958990 322330790 /nfs/dbraw/zinc/33/07/90/322330790.db2.gz BAWXSRSEJZNESM-UHFFFAOYSA-N 1 0 281.444 2.598 20 70 CFIDRO CC(C)C(=O)NCCC[NH2+][C@@H](C)c1cccc(F)c1 ZINC000159979301 322331089 /nfs/dbraw/zinc/33/10/89/322331089.db2.gz XXEVAOYAQXELIZ-LBPRGKRZSA-N 1 0 266.360 2.639 20 70 CFIDRO CC[C@H](C)N(C)CC[NH2+][C@H](COC)Cc1ccccc1 ZINC000160107660 322332953 /nfs/dbraw/zinc/33/29/53/322332953.db2.gz UZMBQZSYZSAOMR-RDJZCZTQSA-N 1 0 278.440 2.564 20 70 CFIDRO CCCn1c(C)nnc1CN1C[C@@H](C)CC[C@@H]1C ZINC000160107921 322333035 /nfs/dbraw/zinc/33/30/35/322333035.db2.gz BGWYWLXQHSOIPB-RYUDHWBXSA-N 1 0 250.390 2.617 20 70 CFIDRO CCSCC[C@@H](C)[NH2+]C[C@H](O)COc1ccccc1C ZINC000160147041 322333559 /nfs/dbraw/zinc/33/35/59/322333559.db2.gz UJJJNQLFGREYHH-CABCVRRESA-N 1 0 297.464 2.856 20 70 CFIDRO C[C@@H]([NH2+][C@@H](C)CC(=O)N1CCCCCC1)C1CC1 ZINC000160135626 322333799 /nfs/dbraw/zinc/33/37/99/322333799.db2.gz DGRXJEAXPVYJGZ-QWHCGFSZSA-N 1 0 252.402 2.556 20 70 CFIDRO C[NH+]1CCC(Oc2ccc(NCc3cccnc3)cn2)CC1 ZINC000160177492 322334052 /nfs/dbraw/zinc/33/40/52/322334052.db2.gz PRBRXGBRCWVCLE-UHFFFAOYSA-N 1 0 298.390 2.562 20 70 CFIDRO CC(C)[C@@H](C)[NH2+][C@H]1CCCN(c2ccccc2F)C1=O ZINC000160178867 322334163 /nfs/dbraw/zinc/33/41/63/322334163.db2.gz CPABOYNPVYGCJB-OCCSQVGLSA-N 1 0 278.371 2.955 20 70 CFIDRO CCNC(=O)c1cccc(C[NH2+][C@H](C(C)C)C2CC2)c1 ZINC000160200120 322334320 /nfs/dbraw/zinc/33/43/20/322334320.db2.gz MSTYYUJHEQBRLC-MRXNPFEDSA-N 1 0 274.408 2.961 20 70 CFIDRO COCCN(Cc1cncs1)Cc1ccccc1 ZINC000160440774 322337838 /nfs/dbraw/zinc/33/78/38/322337838.db2.gz ZLTHZQHQWBFCGS-UHFFFAOYSA-N 1 0 262.378 2.792 20 70 CFIDRO Cc1cccn2c(C[NH2+][C@@H]3CCOC(C)(C)C3)cnc12 ZINC000160456301 322338492 /nfs/dbraw/zinc/33/84/92/322338492.db2.gz MQYJZDAPIOPDEY-CYBMUJFWSA-N 1 0 273.380 2.690 20 70 CFIDRO c1nc2ccccn2c1CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160548588 322339343 /nfs/dbraw/zinc/33/93/43/322339343.db2.gz AMPHIOWKZADASR-MRXNPFEDSA-N 1 0 298.434 2.785 20 70 CFIDRO CCc1cc(=O)[nH]c(C[N@H+](C)C2CCCCCC2)n1 ZINC000160611893 322340573 /nfs/dbraw/zinc/34/05/73/322340573.db2.gz KJKAOWPHAHRBOA-UHFFFAOYSA-N 1 0 263.385 2.899 20 70 CFIDRO CC(C)[NH2+]CCC(=O)N[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000161054437 322346511 /nfs/dbraw/zinc/34/65/11/322346511.db2.gz UHJOHTOMBVQBMD-DLBZAZTESA-N 1 0 288.435 2.902 20 70 CFIDRO CCC[N@H+](Cc1cccc(C)c1C)[C@H]1CCS(=O)(=O)C1 ZINC000161091564 322346981 /nfs/dbraw/zinc/34/69/81/322346981.db2.gz QSNDAXOQVQTXNH-INIZCTEOSA-N 1 0 295.448 2.703 20 70 CFIDRO CCN(Cc1ccccn1)[C@@H](C)C(=O)N(C)c1ccccc1 ZINC000161120475 322347775 /nfs/dbraw/zinc/34/77/75/322347775.db2.gz AXRZBTSMNJGZKD-HNNXBMFYSA-N 1 0 297.402 2.955 20 70 CFIDRO CCCCc1nnc(NC(=O)C(CC)(CC)C[NH3+])s1 ZINC000161164796 322348280 /nfs/dbraw/zinc/34/82/80/322348280.db2.gz QZZANOWVXVJEJH-UHFFFAOYSA-N 1 0 284.429 2.584 20 70 CFIDRO CCC[NH+]1CCC(CNC(=O)N2CC[C@@H](C)[C@@H](C)C2)CC1 ZINC000161412831 322351391 /nfs/dbraw/zinc/35/13/91/322351391.db2.gz SIWIPRILDPRRGJ-CABCVRRESA-N 1 0 295.471 2.796 20 70 CFIDRO CCCC[NH+]1CCC(NC(=O)N2CC[C@@H](C)[C@H](C)C2)CC1 ZINC000161426027 322351579 /nfs/dbraw/zinc/35/15/79/322351579.db2.gz DHXCUSMCTRFCEE-HUUCEWRRSA-N 1 0 295.471 2.938 20 70 CFIDRO CCSCc1cccc(NC(=O)[C@@H]([NH3+])CC)c1 ZINC000161480766 322352450 /nfs/dbraw/zinc/35/24/50/322352450.db2.gz AXQDKNONGXWLDI-LBPRGKRZSA-N 1 0 252.383 2.616 20 70 CFIDRO C[C@H](CC1CCCCC1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160639301 533777300 /nfs/dbraw/zinc/77/73/00/533777300.db2.gz JAUASNXLFBTCNK-BMFZPTHFSA-N 1 0 278.440 2.946 20 70 CFIDRO CCCC[N@H+](CCOC)Cc1c(C)nc2ccccn21 ZINC000160322795 520535585 /nfs/dbraw/zinc/53/55/85/520535585.db2.gz CSFSEXXXHBEUQG-UHFFFAOYSA-N 1 0 275.396 2.891 20 70 CFIDRO CCOc1cc(C[NH2+]CC2(CO)CCCC2)ccc1OC ZINC000160116950 520710558 /nfs/dbraw/zinc/71/05/58/520710558.db2.gz XEGNJYRBMAOJKT-UHFFFAOYSA-N 1 0 293.407 2.736 20 70 CFIDRO CC[NH+](CC)[C@@H]1CCN(c2nc(C(C)(C)C)ns2)C1 ZINC000159754421 520849026 /nfs/dbraw/zinc/84/90/26/520849026.db2.gz LTDGHOLMGLKRCR-LLVKDONJSA-N 1 0 282.457 2.756 20 70 CFIDRO CC1CC[NH+](CCNC(=O)[C@H]2CCC[C@@H](C)C2)CC1 ZINC000160553077 521013270 /nfs/dbraw/zinc/01/32/70/521013270.db2.gz ODIYJYDJYYXVGV-CABCVRRESA-N 1 0 266.429 2.661 20 70 CFIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](C)CCC(C)(C)C)CC1 ZINC000159883651 521609504 /nfs/dbraw/zinc/60/95/04/521609504.db2.gz REANZWQRRAAEQT-CQSZACIVSA-N 1 0 283.460 2.938 20 70 CFIDRO CO[C@]1(C[NH2+]CC[C@@H](C)c2ccccc2)CCOC1 ZINC000160079759 521770485 /nfs/dbraw/zinc/77/04/85/521770485.db2.gz DXNOXQKWOSYIBC-ZBFHGGJFSA-N 1 0 263.381 2.575 20 70 CFIDRO CC[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000160385726 521827583 /nfs/dbraw/zinc/82/75/83/521827583.db2.gz XAQQSEILSGQCQG-OWCLPIDISA-N 1 0 272.392 2.533 20 70 CFIDRO COC[C@@H](C)[NH2+]CCCc1cn(-c2ccccc2)nc1C ZINC000160042388 522249122 /nfs/dbraw/zinc/24/91/22/522249122.db2.gz OCPDLHPFTQMKJJ-CQSZACIVSA-N 1 0 287.407 2.738 20 70 CFIDRO COC[C@@H](C)[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000159742958 522250858 /nfs/dbraw/zinc/25/08/58/522250858.db2.gz KQOFPSSELALENL-CYBMUJFWSA-N 1 0 256.349 2.873 20 70 CFIDRO CCc1nnc(C[NH2+][C@H]2C[C@H](C)CC[C@@H]2C(C)C)[nH]1 ZINC000160545471 522358705 /nfs/dbraw/zinc/35/87/05/522358705.db2.gz MSMQTEBSCDJIQB-UPJWGTAASA-N 1 0 264.417 2.918 20 70 CFIDRO COCC1CC[NH+](Cc2c(C)nc3ccccn32)CC1 ZINC000160374729 522935273 /nfs/dbraw/zinc/93/52/73/522935273.db2.gz XMCIGINFZAXKHQ-UHFFFAOYSA-N 1 0 273.380 2.501 20 70 CFIDRO COc1cc([C@H](C)[NH2+]CCN2CCSCC2)ccc1F ZINC000218248190 522943011 /nfs/dbraw/zinc/94/30/11/522943011.db2.gz WHNIPGMXJKCYHH-LBPRGKRZSA-N 1 0 298.427 2.534 20 70 CFIDRO CCn1ccnc1C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000160875417 523535589 /nfs/dbraw/zinc/53/55/89/523535589.db2.gz GZMKLUBBYYQRAX-HNNXBMFYSA-N 1 0 255.365 2.893 20 70 CFIDRO CO[C@@]1(C)C[C@@H]([N@H+](C)Cc2cnc3ccccn23)C1(C)C ZINC000160899391 523809821 /nfs/dbraw/zinc/80/98/21/523809821.db2.gz GRVSLKZOXLOPRS-PBHICJAKSA-N 1 0 287.407 2.970 20 70 CFIDRO COc1ccc(C)cc1CN[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217690210 523814900 /nfs/dbraw/zinc/81/49/00/523814900.db2.gz BUYQETWKZBWRKD-HOTGVXAUSA-N 1 0 274.408 2.720 20 70 CFIDRO C[C@H](CCC(C)(C)C)NC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000159769854 524128960 /nfs/dbraw/zinc/12/89/60/524128960.db2.gz HMHJXLDFIOHPPY-UPJWGTAASA-N 1 0 254.418 2.835 20 70 CFIDRO C[C@H](CCn1cccn1)[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000159495661 524269512 /nfs/dbraw/zinc/26/95/12/524269512.db2.gz KMHHXOUACPNYHM-OLZOCXBDSA-N 1 0 265.401 2.597 20 70 CFIDRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(Cl)c(F)c1 ZINC000159693284 524391499 /nfs/dbraw/zinc/39/14/99/524391499.db2.gz SLFYVPADPRUXJO-ONGXEEELSA-N 1 0 284.762 2.565 20 70 CFIDRO Cc1cccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c1 ZINC000161400305 524394644 /nfs/dbraw/zinc/39/46/44/524394644.db2.gz HGANFDYMHNGRSF-MRXNPFEDSA-N 1 0 296.418 2.912 20 70 CFIDRO COc1ccccc1C[C@@H](C)[NH2+]CC1(CO)CCCC1 ZINC000160101555 524500874 /nfs/dbraw/zinc/50/08/74/524500874.db2.gz MLIJRIXJHWLGIF-CQSZACIVSA-N 1 0 277.408 2.769 20 70 CFIDRO Cc1cccc([C@@H](C)[NH2+]C[C@H](O)COCC(C)C)c1 ZINC000160225866 524830607 /nfs/dbraw/zinc/83/06/07/524830607.db2.gz RCSTXPNXPMEGDC-ZBFHGGJFSA-N 1 0 265.397 2.679 20 70 CFIDRO C[C@H]1C[C@@H]1C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000161504195 524838479 /nfs/dbraw/zinc/83/84/79/524838479.db2.gz IPAICMWXOXIXPT-LBDPXKHJSA-N 1 0 278.440 2.802 20 70 CFIDRO COc1ccc([C@H]2C[C@@H](C)[N@H+](CCn3ccnc3)C2)cc1 ZINC000159839779 525423823 /nfs/dbraw/zinc/42/38/23/525423823.db2.gz OYBZGTKIBYEJJG-ZBFHGGJFSA-N 1 0 285.391 2.770 20 70 CFIDRO C[C@H]([NH2+]Cc1cc2ccccc2o1)C(=O)N1CCCC1 ZINC000159700009 525434658 /nfs/dbraw/zinc/43/46/58/525434658.db2.gz QDHFDWFTNXZQDK-LBPRGKRZSA-N 1 0 272.348 2.533 20 70 CFIDRO CSCC[N@H+](C)CCC(=O)c1ccc(C)cc1 ZINC000159671295 525496096 /nfs/dbraw/zinc/49/60/96/525496096.db2.gz IITYFUPDDWPZCN-UHFFFAOYSA-N 1 0 251.395 2.863 20 70 CFIDRO C[C@@H]([NH2+]C[C@H]1CC(=O)Nc2ccccc21)c1cncc(F)c1 ZINC000160682358 525499625 /nfs/dbraw/zinc/49/96/25/525499625.db2.gz HNAPIQNQNGUGHD-DGCLKSJQSA-N 1 0 299.349 2.997 20 70 CFIDRO Cc1cc([C@H](C)[NH2+][C@@H](C)C(=O)NCC(F)(F)F)c(C)o1 ZINC000159796774 525526022 /nfs/dbraw/zinc/52/60/22/525526022.db2.gz UFYSGTAIEJFJFJ-IUCAKERBSA-N 1 0 292.301 2.614 20 70 CFIDRO CSC[C@H](CCO)[NH2+][C@H](C)c1ccc(C)cc1 ZINC000160396712 525699203 /nfs/dbraw/zinc/69/92/03/525699203.db2.gz AEIQYPQWJWNMJX-OCCSQVGLSA-N 1 0 253.411 2.760 20 70 CFIDRO Cc1ccc(C(C)(C)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000160629205 526242585 /nfs/dbraw/zinc/24/25/85/526242585.db2.gz DJMOAOLNEAARBX-IYBDPMFKSA-N 1 0 286.419 2.626 20 70 CFIDRO Cc1csc(CCCC[NH2+][C@@H](C)[C@H]2CCOC2)n1 ZINC000160651716 526338097 /nfs/dbraw/zinc/33/80/97/526338097.db2.gz RUZIJQAOQBLWFQ-STQMWFEESA-N 1 0 268.426 2.789 20 70 CFIDRO Fc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000159510075 526340587 /nfs/dbraw/zinc/34/05/87/526340587.db2.gz QZRZUIPBBRYRDZ-ZNMIVQPWSA-N 1 0 261.340 2.873 20 70 CFIDRO NC(=O)CC[C@@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC000160329701 526875323 /nfs/dbraw/zinc/87/53/23/526875323.db2.gz JSCJDKSENJERPS-AWEZNQCLSA-N 1 0 252.402 2.544 20 70 CFIDRO CC(C)(C)n1cc(C[NH2+][C@H]2CCOC(C)(C)C2)cn1 ZINC000160433918 526925353 /nfs/dbraw/zinc/92/53/53/526925353.db2.gz DYRSPJFPHKFOPU-ZDUSSCGKSA-N 1 0 265.401 2.685 20 70 CFIDRO O=C1C[C@@H](C[NH2+]C(C2CC2)C2CC2)c2ccccc2N1 ZINC000160569301 527017780 /nfs/dbraw/zinc/01/77/80/527017780.db2.gz IVAVFKRJLKAVSY-ZDUSSCGKSA-N 1 0 270.376 2.891 20 70 CFIDRO OCCn1nccc1C1CC[NH+](CCC2CCCC2)CC1 ZINC000160074426 527577321 /nfs/dbraw/zinc/57/73/21/527577321.db2.gz SJPGBXGVZUZGKL-UHFFFAOYSA-N 1 0 291.439 2.635 20 70 CFIDRO CC(C)C[C@@H]1COCCN1CCC[NH+]1CCCCC1 ZINC000161115826 528392527 /nfs/dbraw/zinc/39/25/27/528392527.db2.gz GMMKSUOSAJCPNU-MRXNPFEDSA-N 1 0 268.445 2.609 20 70 CFIDRO CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1CCCC1(C)C ZINC000159486584 528896816 /nfs/dbraw/zinc/89/68/16/528896816.db2.gz GYTOWGXIEZNZEK-CYBMUJFWSA-N 1 0 269.433 2.547 20 70 CFIDRO CCC(CC)n1nccc1C(=O)NCC(C)(C)C[NH+](C)C ZINC000160703090 528913892 /nfs/dbraw/zinc/91/38/92/528913892.db2.gz ADJLEYARNXZMRY-UHFFFAOYSA-N 1 0 294.443 2.562 20 70 CFIDRO CC[C@@H](CC(=O)NCC1([NH3+])CCCCC1)C(C)C ZINC000159475450 529450476 /nfs/dbraw/zinc/45/04/76/529450476.db2.gz BRDWHALJHMFCCX-ZDUSSCGKSA-N 1 0 254.418 2.837 20 70 CFIDRO CC[C@H](C)N(C)CC[NH2+][C@@H](C)Cc1ccccc1OC ZINC000160067688 529689402 /nfs/dbraw/zinc/68/94/02/529689402.db2.gz IVMCVLYKQNNSMN-GJZGRUSLSA-N 1 0 278.440 2.946 20 70 CFIDRO C[N@H+](CCOCC1CC1)CCc1ccc(F)cc1 ZINC000159560173 529922333 /nfs/dbraw/zinc/92/23/33/529922333.db2.gz OTWQMEMQEAHNSP-UHFFFAOYSA-N 1 0 251.345 2.727 20 70 CFIDRO Cc1ccc(Cl)c(OC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000159508985 232244341 /nfs/dbraw/zinc/24/43/41/232244341.db2.gz TVZAGAADBABGFQ-ZDUSSCGKSA-N 1 0 283.799 2.874 20 70 CFIDRO Cc1ccc(C)c([C@@H](C)N(C)C(=O)C[C@H]2CCC[NH2+]2)c1 ZINC000159970474 232246502 /nfs/dbraw/zinc/24/65/02/232246502.db2.gz RTDKPMWLGXVSBI-HUUCEWRRSA-N 1 0 274.408 2.965 20 70 CFIDRO COc1ccc2c(c1)N(CCC[NH+]1CCCCC1)CCO2 ZINC000161301554 232251316 /nfs/dbraw/zinc/25/13/16/232251316.db2.gz HJBUUTVIOAJCBG-UHFFFAOYSA-N 1 0 290.407 2.770 20 70 CFIDRO CC(C)CCN(C)Cc1nnc(-c2ccccc2)n1C ZINC000160818435 348021670 /nfs/dbraw/zinc/02/16/70/348021670.db2.gz HFRWCILMTSSAEP-UHFFFAOYSA-N 1 0 272.396 2.960 20 70 CFIDRO CCN(CC[NH2+]Cc1ccc2cc[nH]c2c1)C1CC1 ZINC000217415829 348165298 /nfs/dbraw/zinc/16/52/98/348165298.db2.gz ITYBNHRDMYGIIG-UHFFFAOYSA-N 1 0 257.381 2.742 20 70 CFIDRO C[C@@H](C[NH2+][C@H]1CCCc2cccnc21)N(C)C1CC1 ZINC000217596274 539658448 /nfs/dbraw/zinc/65/84/48/539658448.db2.gz RZYUUSKRARDKOV-WFASDCNBSA-N 1 0 259.397 2.531 20 70 CFIDRO Cc1nccc(NC(=O)NC[C@H]2CCC[N@@H+](C)C2)c1Cl ZINC000159483828 539825733 /nfs/dbraw/zinc/82/57/33/539825733.db2.gz LTNPGPJSWILLCG-LLVKDONJSA-N 1 0 296.802 2.507 20 70 CFIDRO CCC[C@H]1CN(C(=O)C(C)(CC)CC)CC[N@@H+]1CCOC ZINC000159407434 539825742 /nfs/dbraw/zinc/82/57/42/539825742.db2.gz FJYABNMHUXVZNK-HNNXBMFYSA-N 1 0 298.471 2.772 20 70 CFIDRO C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)C[NH2+]CC2CC2)C1 ZINC000159434476 188425064 /nfs/dbraw/zinc/42/50/64/188425064.db2.gz IQLNWAGOJOJWKY-WBMJQRKESA-N 1 0 290.382 2.735 20 70 CFIDRO COC[C@H]([NH2+]CCOc1ccc(Cl)cc1)C1CC1 ZINC000159651020 188435405 /nfs/dbraw/zinc/43/54/05/188435405.db2.gz XECFWWWNSKKDET-AWEZNQCLSA-N 1 0 269.772 2.733 20 70 CFIDRO COCC[C@@H]([NH2+]C[C@@](C)(O)c1ccsc1)C(C)C ZINC000159888562 188446820 /nfs/dbraw/zinc/44/68/20/188446820.db2.gz HRWMTQGSLANNIU-ZIAGYGMSSA-N 1 0 271.426 2.606 20 70 CFIDRO C[C@H](Sc1ccccc1Cl)C(=O)NCC(C)(C)[NH3+] ZINC000160089763 188454030 /nfs/dbraw/zinc/45/40/30/188454030.db2.gz FZTPZOJPHDMONR-VIFPVBQESA-N 1 0 286.828 2.674 20 70 CFIDRO [NH3+]C[C@H]1CCCN1C(=O)/C=C/c1c(Cl)cccc1Cl ZINC000160222829 188461300 /nfs/dbraw/zinc/46/13/00/188461300.db2.gz GXXKRSKJYZOMEO-VQCYPWCPSA-N 1 0 299.201 2.956 20 70 CFIDRO COc1cc(NC(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)ccc1F ZINC000160333159 188466134 /nfs/dbraw/zinc/46/61/34/188466134.db2.gz DVEOVNWBKMQILH-RYUDHWBXSA-N 1 0 294.370 2.799 20 70 CFIDRO Cc1cccc([C@H]2CCCCCN2C(=O)[C@H](C)[NH3+])c1 ZINC000160983502 188501996 /nfs/dbraw/zinc/50/19/96/188501996.db2.gz SMCCYTNIFZPSIR-DZGCQCFKSA-N 1 0 260.381 2.786 20 70 CFIDRO C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000159799393 540663046 /nfs/dbraw/zinc/66/30/46/540663046.db2.gz BLMRXYJIVDZQKJ-JMGFVUJMSA-N 1 0 290.382 2.658 20 70 CFIDRO COc1cccc([C@H](C)CC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000160784955 540679099 /nfs/dbraw/zinc/67/90/99/540679099.db2.gz XXUJXOIRJHQAMO-VHDGCEQUSA-N 1 0 290.407 2.575 20 70 CFIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CCCc2ccc(F)c(F)c2)C1 ZINC000160791453 540680089 /nfs/dbraw/zinc/68/00/89/540680089.db2.gz BTQGUZVQSBEUKS-CHWSQXEVSA-N 1 0 296.361 2.674 20 70 CFIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000160965590 540684876 /nfs/dbraw/zinc/68/48/76/540684876.db2.gz GLMOJXBMIVIZEL-NEPJUHHUSA-N 1 0 286.297 2.705 20 70 CFIDRO CC(C)[C@H]1CCN(C(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000160979799 540685308 /nfs/dbraw/zinc/68/53/08/540685308.db2.gz UGPWERZOIOIXDZ-ZDUSSCGKSA-N 1 0 261.369 2.655 20 70 CFIDRO CC[C@H](Oc1ccccc1C)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161014925 540686404 /nfs/dbraw/zinc/68/64/04/540686404.db2.gz IMMMHJHSNHKOKF-ZNMIVQPWSA-N 1 0 290.407 2.539 20 70 CFIDRO Cc1ccccc1OCCCC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000161336272 540692370 /nfs/dbraw/zinc/69/23/70/540692370.db2.gz MYBAMYHDLAGMRB-HUUCEWRRSA-N 1 0 290.407 2.540 20 70 CFIDRO CC(C)CCO[C@@H]1CCN(CCC[NH+]2CCCCC2)C1 ZINC000161404661 540692720 /nfs/dbraw/zinc/69/27/20/540692720.db2.gz RYFPNSIKVYFEEG-QGZVFWFLSA-N 1 0 282.472 2.999 20 70 CFIDRO Cc1nc(CC(C)C)c(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000161411915 540692802 /nfs/dbraw/zinc/69/28/02/540692802.db2.gz FWSKQTUIMURQPB-NEPJUHHUSA-N 1 0 295.452 2.650 20 70 CFIDRO C[NH2+]C[C@H]1CCCN1C(=O)C[C@@H](C)c1cccc(F)c1 ZINC000161236576 283594261 /nfs/dbraw/zinc/59/42/61/283594261.db2.gz CVZCJKATPCTSRH-IUODEOHRSA-N 1 0 278.371 2.530 20 70 CFIDRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1coc2ccccc12 ZINC000159551032 540999598 /nfs/dbraw/zinc/99/95/98/540999598.db2.gz LUSBFYHXWBUHTD-NWDGAFQWSA-N 1 0 272.348 2.519 20 70 CFIDRO Cc1nccc(NC(=O)NCC2CC[NH+](C)CC2)c1Cl ZINC000159987118 541019487 /nfs/dbraw/zinc/01/94/87/541019487.db2.gz FJYIOUMETMTXFN-UHFFFAOYSA-N 1 0 296.802 2.507 20 70 CFIDRO COCC[C@H]([NH2+]C[C@](C)(O)c1ccsc1)C(C)C ZINC000159888432 378737382 /nfs/dbraw/zinc/73/73/82/378737382.db2.gz HRWMTQGSLANNIU-KBPBESRZSA-N 1 0 271.426 2.606 20 70 CFIDRO CC[NH+]1CCC(NC(=O)[C@H]2C[C@@H]2c2sccc2C)CC1 ZINC000159912112 378737779 /nfs/dbraw/zinc/73/77/79/378737779.db2.gz FTCKFDNGDLWQGB-KBPBESRZSA-N 1 0 292.448 2.761 20 70 CFIDRO CC[NH+]1CCC(Nc2ccc(F)c(OC)c2)CC1 ZINC000159970836 378740259 /nfs/dbraw/zinc/74/02/59/378740259.db2.gz OSZWCTDRJVAQHX-UHFFFAOYSA-N 1 0 252.333 2.731 20 70 CFIDRO C[C@@H]([NH2+]CCC(C)(C)O)c1cnn(Cc2ccccc2)c1 ZINC000159964160 378740603 /nfs/dbraw/zinc/74/06/03/378740603.db2.gz YARJVHOLDQKXJS-CQSZACIVSA-N 1 0 287.407 2.743 20 70 CFIDRO Cc1ccc(C(=O)CC[N@@H+](C)[C@H]2CCN(C)[C@H](C)C2)cc1 ZINC000159999488 378742632 /nfs/dbraw/zinc/74/26/32/378742632.db2.gz ITZGWMHKYSTIIW-WBVHZDCISA-N 1 0 288.435 2.982 20 70 CFIDRO CC(C)CSCCC[NH2+][C@H](C(N)=O)c1ccccc1 ZINC000160021845 378743460 /nfs/dbraw/zinc/74/34/60/378743460.db2.gz AOBXXKIOPVITEY-AWEZNQCLSA-N 1 0 280.437 2.582 20 70 CFIDRO CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@H](C)COC ZINC000160072402 378747348 /nfs/dbraw/zinc/74/73/48/378747348.db2.gz RZQXLVJBTNWZTN-OAHLLOKOSA-N 1 0 291.439 2.655 20 70 CFIDRO Cc1ccc(NC(=O)[C@H]2CCCC[NH2+]2)cc1OC(F)F ZINC000160091321 378748604 /nfs/dbraw/zinc/74/86/04/378748604.db2.gz TYSKIMCPPPTNRH-LLVKDONJSA-N 1 0 284.306 2.677 20 70 CFIDRO Cc1cccc(O[C@H](C)C(=O)NCC2([NH3+])CCCCC2)c1 ZINC000159459870 378710123 /nfs/dbraw/zinc/71/01/23/378710123.db2.gz NBMDQYLPYJLIPV-CQSZACIVSA-N 1 0 290.407 2.540 20 70 CFIDRO CC(=O)N1CCC(C[NH2+][C@@H](C)c2ccccc2C)CC1 ZINC000159458604 378710932 /nfs/dbraw/zinc/71/09/32/378710932.db2.gz IVPFFEXGOSIBHK-AWEZNQCLSA-N 1 0 274.408 2.904 20 70 CFIDRO CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)O ZINC000159496663 378713526 /nfs/dbraw/zinc/71/35/26/378713526.db2.gz YAMKTZQVNBNKQD-MGPQQGTHSA-N 1 0 292.423 2.840 20 70 CFIDRO CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)[N@H+](C)C[C@@H](C)O ZINC000159496935 378713731 /nfs/dbraw/zinc/71/37/31/378713731.db2.gz YAMKTZQVNBNKQD-MCIONIFRSA-N 1 0 292.423 2.840 20 70 CFIDRO CCc1nc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)cs1 ZINC000159527782 378715521 /nfs/dbraw/zinc/71/55/21/378715521.db2.gz IRASPTVATSFLLS-UBHSHLNASA-N 1 0 278.421 2.753 20 70 CFIDRO Cn1c(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)nc2ccccc21 ZINC000159571319 378716764 /nfs/dbraw/zinc/71/67/64/378716764.db2.gz UETVFZYZLOFARS-ZLIFDBKOSA-N 1 0 297.402 2.621 20 70 CFIDRO CCSCC[C@H](C)NC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000160210080 378755818 /nfs/dbraw/zinc/75/58/18/378755818.db2.gz KEROTBBKYBRURU-WFASDCNBSA-N 1 0 280.437 2.508 20 70 CFIDRO Cc1ccc([C@@H](C)CNC(=O)[C@@H]([NH3+])CC(C)C)cc1 ZINC000159655583 378722873 /nfs/dbraw/zinc/72/28/73/378722873.db2.gz RYIRGXQOUSHHCB-ZFWWWQNUSA-N 1 0 262.397 2.588 20 70 CFIDRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CC1CCCCCC1 ZINC000159672620 378723488 /nfs/dbraw/zinc/72/34/88/378723488.db2.gz GJJNSMZEOLWBMY-JSGCOSHPSA-N 1 0 252.402 2.543 20 70 CFIDRO CSCC[C@H]([NH3+])C(=O)N[C@H]1CCC[C@@H]1c1ccccc1 ZINC000159716707 378725671 /nfs/dbraw/zinc/72/56/71/378725671.db2.gz LDNIMBRCQPPYDU-ILXRZTDVSA-N 1 0 292.448 2.519 20 70 CFIDRO [NH3+]C1(CNC(=O)Cc2c(F)cccc2Cl)CCCCC1 ZINC000159756933 378729101 /nfs/dbraw/zinc/72/91/01/378729101.db2.gz BAZQMSJVSOABMZ-UHFFFAOYSA-N 1 0 298.789 2.799 20 70 CFIDRO CC[NH+](CC)CCNc1ccncc1Br ZINC000159808612 378732587 /nfs/dbraw/zinc/73/25/87/378732587.db2.gz VPSUCRHNMULGDH-UHFFFAOYSA-N 1 0 272.190 2.598 20 70 CFIDRO CCc1nnc(CN[C@H](C)c2cc(C)ccc2OC)[nH]1 ZINC000160281061 378760514 /nfs/dbraw/zinc/76/05/14/378760514.db2.gz VJBZZYSXISIAED-LLVKDONJSA-N 1 0 274.368 2.535 20 70 CFIDRO CCc1ccc([C@@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)cc1 ZINC000160332432 378764030 /nfs/dbraw/zinc/76/40/30/378764030.db2.gz ZIPOWMFLYRODMU-WBMJQRKESA-N 1 0 284.407 2.815 20 70 CFIDRO CCn1cc(CN(CCOC)Cc2ccccc2)cn1 ZINC000160441043 378771579 /nfs/dbraw/zinc/77/15/79/378771579.db2.gz IVFMDXLHJYBWRG-UHFFFAOYSA-N 1 0 273.380 2.552 20 70 CFIDRO CCn1nccc1CN(CCOC)Cc1ccccc1 ZINC000160446132 378772891 /nfs/dbraw/zinc/77/28/91/378772891.db2.gz ZXBJALXFPXHAHH-UHFFFAOYSA-N 1 0 273.380 2.552 20 70 CFIDRO COc1cccc(C[NH2+][C@@H]2CCOC(C)(C)C2)c1OC ZINC000160470176 378773904 /nfs/dbraw/zinc/77/39/04/378773904.db2.gz WKUDQKNEACIJTL-CYBMUJFWSA-N 1 0 279.380 2.751 20 70 CFIDRO COCC[N@H+](Cc1c(C)n[nH]c1C)Cc1ccccc1 ZINC000160454751 378774881 /nfs/dbraw/zinc/77/48/81/378774881.db2.gz HURAKMNMEJGYRR-UHFFFAOYSA-N 1 0 273.380 2.675 20 70 CFIDRO CC1(C)C[C@H]([NH2+]Cc2ccc(-n3ccnc3)cc2)CCO1 ZINC000160490975 378776246 /nfs/dbraw/zinc/77/62/46/378776246.db2.gz CRHYMRCDBIXWQB-OAHLLOKOSA-N 1 0 285.391 2.920 20 70 CFIDRO O=C(C[C@H]1CCC[NH2+]1)Nc1ccccc1CC(F)(F)F ZINC000160800171 378800359 /nfs/dbraw/zinc/80/03/59/378800359.db2.gz ACVJADNZHAGXNN-LLVKDONJSA-N 1 0 286.297 2.872 20 70 CFIDRO CC1(C)C[C@@H]([NH2+]Cc2ccc3c[nH]nc3c2)CCO1 ZINC000160540909 378780898 /nfs/dbraw/zinc/78/08/98/378780898.db2.gz DJNAPGSVUCWYHY-ZDUSSCGKSA-N 1 0 259.353 2.610 20 70 CFIDRO COc1ccc([C@@H](C)CCNC(=O)[C@@H]([NH3+])C(C)(C)C)cc1 ZINC000160553232 378781133 /nfs/dbraw/zinc/78/11/33/378781133.db2.gz YUFWSBAHACCTPM-SWLSCSKDSA-N 1 0 292.423 2.678 20 70 CFIDRO COc1ccc(Cl)cc1[C@@H](C)[NH2+]CC(C)(C)O ZINC000160643770 378788269 /nfs/dbraw/zinc/78/82/69/378788269.db2.gz JVHQBCRUAMRADV-SECBINFHSA-N 1 0 257.761 2.770 20 70 CFIDRO CC(C)(O)C[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000160658379 378789352 /nfs/dbraw/zinc/78/93/52/378789352.db2.gz VURTYACCKSGQTB-LBPRGKRZSA-N 1 0 289.297 2.933 20 70 CFIDRO C[C@H](NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)c1cccs1 ZINC000160731199 378795022 /nfs/dbraw/zinc/79/50/22/378795022.db2.gz ZMJKIEOVPCWRHG-RNJOBUHISA-N 1 0 278.421 2.846 20 70 CFIDRO CCC(CC)(C[NH3+])C(=O)NC[C@@H](C)Oc1ccc(C)cc1 ZINC000161179734 378829567 /nfs/dbraw/zinc/82/95/67/378829567.db2.gz VCQSJNWKAWSNBA-CQSZACIVSA-N 1 0 292.423 2.644 20 70 CFIDRO CCC[N@H+](CCO)Cc1ccc(OCC(F)F)cc1 ZINC000161203532 378831170 /nfs/dbraw/zinc/83/11/70/378831170.db2.gz VQLGDELPMIWUNG-UHFFFAOYSA-N 1 0 273.323 2.535 20 70 CFIDRO CC[C@@H](COC)[NH2+]C[C@H](C)N(C)Cc1ccccc1 ZINC000160888641 378807057 /nfs/dbraw/zinc/80/70/57/378807057.db2.gz VZXPQFBCBRZYTF-HOCLYGCPSA-N 1 0 264.413 2.522 20 70 CFIDRO CC[C@H]([NH3+])C(=O)Nc1cccc(Cl)c1OC(C)C ZINC000160922744 378809816 /nfs/dbraw/zinc/80/98/16/378809816.db2.gz IQUBXEHAKRXVFC-JTQLQIEISA-N 1 0 270.760 2.803 20 70 CFIDRO COC(C)(C)C[C@@H](C)NC(=O)[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000160966675 378812030 /nfs/dbraw/zinc/81/20/30/378812030.db2.gz KPFSLHDREJERLQ-NFAWXSAZSA-N 1 0 292.423 2.642 20 70 CFIDRO CC[C@@H](C)N(C)C(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000160968504 378813038 /nfs/dbraw/zinc/81/30/38/378813038.db2.gz KZLMKNUICDEPDP-HUUCEWRRSA-N 1 0 283.460 2.937 20 70 CFIDRO CC[N@H+](CC(OC)OC)[C@H](C)Cc1ccc(OC)cc1 ZINC000161035305 378816876 /nfs/dbraw/zinc/81/68/76/378816876.db2.gz FFNJMJZOIIGFRQ-CYBMUJFWSA-N 1 0 281.396 2.567 20 70 CFIDRO C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000161052746 378817539 /nfs/dbraw/zinc/81/75/39/378817539.db2.gz UKBGTONPXNRLFG-GXTWGEPZSA-N 1 0 294.826 2.729 20 70 CFIDRO Cc1ccc(SCC(F)(F)F)c(NC(=O)[C@H](C)[NH3+])c1 ZINC000161131989 378824474 /nfs/dbraw/zinc/82/44/74/378824474.db2.gz IHTZUZCTGATDRC-QMMMGPOBSA-N 1 0 292.326 2.935 20 70 CFIDRO CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@H](CC)COC)c1 ZINC000161136079 378824503 /nfs/dbraw/zinc/82/45/03/378824503.db2.gz LIDAHZLXTGUPEB-CZUORRHYSA-N 1 0 292.423 2.730 20 70 CFIDRO CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H](C)Oc1ccc(Cl)cc1 ZINC000161137776 378825116 /nfs/dbraw/zinc/82/51/16/378825116.db2.gz HQFOUCDKZNGQQU-WDMOLILDSA-N 1 0 298.814 2.597 20 70 CFIDRO CC[C@@H](COC)[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000161147271 378825831 /nfs/dbraw/zinc/82/58/31/378825831.db2.gz CLLXMAYJFLTSFR-WMLDXEAASA-N 1 0 291.391 2.924 20 70 CFIDRO Cc1nn(C)cc1C[N@H+](C)CCOc1ccc(Cl)cc1 ZINC000161153909 378826507 /nfs/dbraw/zinc/82/65/07/378826507.db2.gz DYEXXWXSDVQESB-UHFFFAOYSA-N 1 0 293.798 2.893 20 70 CFIDRO Cc1ccc([C@H](C)CNC(=O)[C@H]([NH3+])Cc2ccccc2)cc1 ZINC000161169472 378827035 /nfs/dbraw/zinc/82/70/35/378827035.db2.gz WGDSCPBOEDAWAX-CRAIPNDOSA-N 1 0 296.414 2.785 20 70 CFIDRO CCN1CCCC[C@@H]1C[NH2+][C@@H](C)c1cnc(C)nc1C ZINC000161174410 378827333 /nfs/dbraw/zinc/82/73/33/378827333.db2.gz MJFNJYCLNIBFES-SWLSCSKDSA-N 1 0 276.428 2.618 20 70 CFIDRO CN(Cc1cc2ccccc2o1)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000161414154 378844979 /nfs/dbraw/zinc/84/49/79/378844979.db2.gz QIMODDQJTWDESI-CHWSQXEVSA-N 1 0 272.348 2.519 20 70 CFIDRO COc1ccc(Cl)cc1[C@H](CC(C)C)NC(=O)[C@H](C)[NH3+] ZINC000161415182 378845091 /nfs/dbraw/zinc/84/50/91/378845091.db2.gz NYBZDQCZHCIBOV-GWCFXTLKSA-N 1 0 298.814 2.899 20 70 CFIDRO CN(Cc1cc2ccccc2o1)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000161416784 378845777 /nfs/dbraw/zinc/84/57/77/378845777.db2.gz LQTUBUGQIOVKJZ-ZDUSSCGKSA-N 1 0 272.348 2.533 20 70 CFIDRO C[NH2+]C[C@@H](C)C(=O)N(CC1CCC1)c1ccccc1 ZINC000161438365 378848187 /nfs/dbraw/zinc/84/81/87/378848187.db2.gz NVIJCZLJAVZCBD-CYBMUJFWSA-N 1 0 260.381 2.675 20 70 CFIDRO CN(CCC[NH+]1CCCCC1)[C@@H]1CCCc2c1cnn2C ZINC000161448076 378848315 /nfs/dbraw/zinc/84/83/15/378848315.db2.gz KUSFHIPDUSDHDV-MRXNPFEDSA-N 1 0 290.455 2.605 20 70 CFIDRO CCCCO[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C)C[C@@H]2C)C1(C)C ZINC000159780546 322328010 /nfs/dbraw/zinc/32/80/10/322328010.db2.gz YFWMFXKAMJQLPS-XUWVNRHRSA-N 1 0 282.472 2.900 20 70 CFIDRO CCCC[N@H+](C[C@H]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000160758400 322342543 /nfs/dbraw/zinc/34/25/43/322342543.db2.gz UCUOUQZMFDNOCQ-LSDHHAIUSA-N 1 0 285.453 2.632 20 70 CFIDRO C[C@H](C[NH2+][C@@H]1CCCc2ccc(O)cc21)N(C)C1CC1 ZINC000217560116 382786792 /nfs/dbraw/zinc/78/67/92/382786792.db2.gz PRAKNHIEYHHTJA-SJKOYZFVSA-N 1 0 274.408 2.842 20 70 CFIDRO C[C@H](C[NH2+]Cc1ccc2[nH]ccc2c1)N(C)C1CC1 ZINC000217548580 382786938 /nfs/dbraw/zinc/78/69/38/382786938.db2.gz QTGYRQQAWYVYHD-GFCCVEGCSA-N 1 0 257.381 2.740 20 70 CFIDRO CCOc1ccc(CN[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000217644413 382787316 /nfs/dbraw/zinc/78/73/16/382787316.db2.gz GBBKTUWDMNYVAZ-IRXDYDNUSA-N 1 0 274.408 2.802 20 70 CFIDRO CC[C@@H](C)N(C)CC[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000217758680 382788082 /nfs/dbraw/zinc/78/80/82/382788082.db2.gz VTGQUZOXVYCYPS-CYBMUJFWSA-N 1 0 259.397 2.988 20 70 CFIDRO C[C@@H]1CCC[C@H]([NH2+][C@@H](C(N)=O)c2ccc(F)cc2)[C@@H]1C ZINC000217950767 382788463 /nfs/dbraw/zinc/78/84/63/382788463.db2.gz TXBIONRQVSABBY-HKCMKHECSA-N 1 0 278.371 2.766 20 70 CFIDRO C[C@H](Cn1cccn1)[NH2+]Cc1cccc2cc[nH]c21 ZINC000218102646 382789274 /nfs/dbraw/zinc/78/92/74/382789274.db2.gz QZQOMBWDUISCRO-GFCCVEGCSA-N 1 0 254.337 2.543 20 70 CFIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H]2CC[C@H](C)C[C@@H]2C)CC1 ZINC000159857871 285213267 /nfs/dbraw/zinc/21/32/67/285213267.db2.gz WYDLMOAISLPJNV-SOUVJXGZSA-N 1 0 281.444 2.548 20 70 CFIDRO C[C@@H](CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)C1CCCCC1 ZINC000159991479 533425169 /nfs/dbraw/zinc/42/51/69/533425169.db2.gz ISHUIAIMYADYFU-CWRNSKLLSA-N 1 0 278.440 2.946 20 70 CFIDRO O[C@@H]1CCCC[C@H]1C[NH2+][C@@H]1CCCc2cccnc21 ZINC000217744770 413063946 /nfs/dbraw/zinc/06/39/46/413063946.db2.gz TZADZTCWOZQMOW-RRFJBIMHSA-N 1 0 260.381 2.600 20 70 CFIDRO CCN(CCC[NH2+]Cc1cccn1C)C(=O)OC(C)(C)C ZINC000217799683 393757785 /nfs/dbraw/zinc/75/77/85/393757785.db2.gz KJPCBSWYVIFUSV-UHFFFAOYSA-N 1 0 295.427 2.762 20 70 CFIDRO Cc1cc(C)cc([C@@H](C)[NH2+]CC(=O)NCC(F)(F)F)c1 ZINC000160519376 394366660 /nfs/dbraw/zinc/36/66/60/394366660.db2.gz QCLSMAXFFMKMKU-LLVKDONJSA-N 1 0 288.313 2.633 20 70 CFIDRO Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)[C@@H](C)[NH3+])cc1 ZINC000161235004 292237047 /nfs/dbraw/zinc/23/70/47/292237047.db2.gz AURGJYPCEQUJAM-GUTXKFCHSA-N 1 0 260.381 2.642 20 70 CFIDRO CC[C@@H]([NH2+][C@@H](CCO)CSC)c1ccc(OC)cc1 ZINC000160250197 286924198 /nfs/dbraw/zinc/92/41/98/286924198.db2.gz DGMBZNAJZZEWIC-DZGCQCFKSA-N 1 0 283.437 2.850 20 70 CFIDRO CC(C)C[C@H]1CCCCN1C(=O)C[C@H]1CCC[NH2+]1 ZINC000160876406 275599155 /nfs/dbraw/zinc/59/91/55/275599155.db2.gz NJHVGIWKIBRFBG-ZIAGYGMSSA-N 1 0 252.402 2.556 20 70 CFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)C[C@@H](C)c1cccc(F)c1 ZINC000161236803 277027030 /nfs/dbraw/zinc/02/70/30/277027030.db2.gz CVZCJKATPCTSRH-DOMZBBRYSA-N 1 0 278.371 2.530 20 70 CFIDRO COCCN(C)CC[NH2+][C@H](Cc1ccc(F)cc1)C(C)C ZINC000159371851 277213855 /nfs/dbraw/zinc/21/38/55/277213855.db2.gz SHTSYAAHMACZPB-QGZVFWFLSA-N 1 0 296.430 2.561 20 70 CFIDRO COCC[C@H](C)[NH2+][C@@H]1CCCN(C2CCCCC2)C1 ZINC000160101191 277239042 /nfs/dbraw/zinc/23/90/42/277239042.db2.gz KACDWDMZWHZWBD-LSDHHAIUSA-N 1 0 268.445 2.798 20 70 CFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cc2cc(Cl)ccc2o1 ZINC000161300055 277278012 /nfs/dbraw/zinc/27/80/12/277278012.db2.gz FVZWBGZIDIUXNP-LBPRGKRZSA-N 1 0 292.766 2.910 20 70 CFIDRO CC(C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000160874187 277448525 /nfs/dbraw/zinc/44/85/25/277448525.db2.gz NSYJCYBAHYCXEP-ILXRZTDVSA-N 1 0 266.429 2.931 20 70 CFIDRO CC(C)NC(=O)C[NH2+][C@H](CCc1ccccc1)C(C)C ZINC000160983954 277654472 /nfs/dbraw/zinc/65/44/72/277654472.db2.gz UQKAQCDIPJAJRJ-MRXNPFEDSA-N 1 0 276.424 2.758 20 70 CFIDRO C[C@@H]1[C@H](C)SCCN1CCC[NH+]1CCCCC1 ZINC000161160155 278094881 /nfs/dbraw/zinc/09/48/81/278094881.db2.gz MUSPACNTITXQCK-KGLIPLIRSA-N 1 0 256.459 2.688 20 70 CFIDRO C[C@H](CC(N)=O)[NH2+][C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000161359763 278165442 /nfs/dbraw/zinc/16/54/42/278165442.db2.gz WQDLJQLKVGXKAF-BPLDGKMQSA-N 1 0 266.429 2.979 20 70 CFIDRO C[C@H](c1ccncc1)N(C)CCC[NH+]1CCCCC1 ZINC000161460366 278314650 /nfs/dbraw/zinc/31/46/50/278314650.db2.gz JRMFKRBJNDYUTG-OAHLLOKOSA-N 1 0 261.413 2.950 20 70 CFIDRO C[C@@H]1CCC[C@H](C(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000160009242 278505026 /nfs/dbraw/zinc/50/50/26/278505026.db2.gz YUMXGHGATNMQQY-CABCVRRESA-N 1 0 278.440 2.900 20 70 CFIDRO C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000159802834 279002020 /nfs/dbraw/zinc/00/20/20/279002020.db2.gz FRONBGOBJUXJHC-OSAQELSMSA-N 1 0 292.398 2.904 20 70 CFIDRO CC(C)[C@@H](C(=O)N1CC[C@@H]([NH3+])C1)c1cccc(Cl)c1 ZINC000160259549 279773858 /nfs/dbraw/zinc/77/38/58/279773858.db2.gz IZIXYGNETYAWSY-ZIAGYGMSSA-N 1 0 280.799 2.639 20 70 CFIDRO COC[C@H](C)[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000161149408 293035753 /nfs/dbraw/zinc/03/57/53/293035753.db2.gz GIHYPISAXFJKKU-MEDUHNTESA-N 1 0 277.364 2.533 20 70 CFIDRO Cc1ccccc1[C@H](NC(=O)[C@H]1CCC[NH2+]C1)C(C)C ZINC000159690223 302196809 /nfs/dbraw/zinc/19/68/09/302196809.db2.gz JXDMYDOHMFEQBZ-GOEBONIOSA-N 1 0 274.408 2.808 20 70 CFIDRO [NH3+]CC[C@@H]1CCCCN1C(=O)C1C2CC3CC(C2)CC1C3 ZINC000160200470 303385273 /nfs/dbraw/zinc/38/52/73/303385273.db2.gz CARCSYOYBMAKPN-IKXAHOJESA-N 1 0 290.451 2.789 20 70 CFIDRO CC1CCC(C[N@H+](C)C[C@H](O)C(F)(F)F)CC1 ZINC000159558453 322324013 /nfs/dbraw/zinc/32/40/13/322324013.db2.gz VUNDZZOOQLXZHL-ILDUYXDCSA-N 1 0 253.308 2.668 20 70 CFIDRO CCOc1ccc(OCC[N@H+](C)C[C@H]2CCC[C@@H]2O)cc1 ZINC000159567294 322324454 /nfs/dbraw/zinc/32/44/54/322324454.db2.gz ZQHBZXDFQNNFKM-PBHICJAKSA-N 1 0 293.407 2.557 20 70 CFIDRO CCOC[C@@H](O)C[NH2+][C@@H](C)c1ccc(SCC)cc1 ZINC000159637828 322325720 /nfs/dbraw/zinc/32/57/20/322325720.db2.gz SWQAGQCJSGUYFA-JSGCOSHPSA-N 1 0 283.437 2.847 20 70 CFIDRO Cc1ccc(F)c(C[N@@H+]2CCCC[C@H]2CCO)c1 ZINC000159703001 322326736 /nfs/dbraw/zinc/32/67/36/322326736.db2.gz XBSYFNYZTPZFBN-AWEZNQCLSA-N 1 0 251.345 2.871 20 70 CFIDRO C/C=C/COc1ccc(CC[C@H](C)[NH2+]CCO)cc1 ZINC000159694441 322326783 /nfs/dbraw/zinc/32/67/83/322326783.db2.gz QRDPLJGUDLVHAI-XGACYXMMSA-N 1 0 263.381 2.545 20 70 CFIDRO CCc1cccc(OCC[N@H+](C)C[C@H]2CCC[C@@H]2O)c1 ZINC000159725138 322327442 /nfs/dbraw/zinc/32/74/42/322327442.db2.gz XBIQCQFUHUWYGS-WBVHZDCISA-N 1 0 277.408 2.721 20 70 CFIDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCC1(C2CC2)CC1 ZINC000159751019 322327539 /nfs/dbraw/zinc/32/75/39/322327539.db2.gz ZOQWXVRNKGTVLZ-ZIAGYGMSSA-N 1 0 293.455 2.596 20 70 CFIDRO C[N@@H+](Cc1nc2ccc(F)cc2o1)C[C@@H]1CCC[C@@H]1O ZINC000159736575 322327604 /nfs/dbraw/zinc/32/76/04/322327604.db2.gz PFTLSAZUTXZNKF-GWCFXTLKSA-N 1 0 278.327 2.560 20 70 CFIDRO C[N@H+](CCCCC(F)(F)F)C[C@H]1CCC[C@@H]1O ZINC000159876166 322329118 /nfs/dbraw/zinc/32/91/18/322329118.db2.gz BCHJNVDZRIDURB-MNOVXSKESA-N 1 0 253.308 2.812 20 70 CFIDRO CC(C)OC(=O)CC[N@H+](CCc1nccs1)C(C)C ZINC000159857215 322329312 /nfs/dbraw/zinc/32/93/12/322329312.db2.gz VUQVNPGYJUSFIG-UHFFFAOYSA-N 1 0 284.425 2.738 20 70 CFIDRO COc1ccnc(C[N@H+](CCc2nccs2)C(C)C)c1 ZINC000159908968 322329815 /nfs/dbraw/zinc/32/98/15/322329815.db2.gz YMTOMEBMZCJOBW-UHFFFAOYSA-N 1 0 291.420 3.000 20 70 CFIDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2(C)CCC2)C1 ZINC000159910851 322329837 /nfs/dbraw/zinc/32/98/37/322329837.db2.gz KRBRPYAQJIFZLE-CYBMUJFWSA-N 1 0 281.444 2.739 20 70 CFIDRO C[C@H]1CCC[C@@](CNC(=O)NC2(C)CCC2)([NH+](C)C)C1 ZINC000159884276 322329936 /nfs/dbraw/zinc/32/99/36/322329936.db2.gz LPPCAKXBEYWUHX-XJKSGUPXSA-N 1 0 281.444 2.739 20 70 CFIDRO CC(C)[N@H+](CCOC[C@@H]1CCCO1)CCc1nccs1 ZINC000159943137 322330264 /nfs/dbraw/zinc/33/02/64/322330264.db2.gz OPGMKQKSGBGZEX-AWEZNQCLSA-N 1 0 298.452 2.592 20 70 CFIDRO CC(C)C(=O)NCCC[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000159974600 322330842 /nfs/dbraw/zinc/33/08/42/322330842.db2.gz DQAACQYLCNAZGC-LLVKDONJSA-N 1 0 284.350 2.778 20 70 CFIDRO CC(C)[NH+](CCCNC(=O)NCC1(C2CC2)CC1)C(C)C ZINC000159945755 322331098 /nfs/dbraw/zinc/33/10/98/322331098.db2.gz FSDUFCXANHADKR-UHFFFAOYSA-N 1 0 295.471 2.985 20 70 CFIDRO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1CC1(C)C ZINC000160080896 322332575 /nfs/dbraw/zinc/33/25/75/322332575.db2.gz OZGNKFYRGIMDDB-STQMWFEESA-N 1 0 254.418 2.659 20 70 CFIDRO OCC1(C[NH2+]Cc2ccnc3ccccc23)CCCC1 ZINC000160097835 322332601 /nfs/dbraw/zinc/33/26/01/322332601.db2.gz YUEUJCJZIDTDRP-UHFFFAOYSA-N 1 0 270.376 2.877 20 70 CFIDRO OCC1(C[NH2+]Cc2c[nH]nc2-c2cccs2)CCCC1 ZINC000160119765 322333044 /nfs/dbraw/zinc/33/30/44/322333044.db2.gz IKDSFVULTTWBJF-UHFFFAOYSA-N 1 0 291.420 2.781 20 70 CFIDRO C[NH+]1CCC(NC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CC1 ZINC000160244310 322335275 /nfs/dbraw/zinc/33/52/75/322335275.db2.gz FIUKUXANKKLNSR-RBSFLKMASA-N 1 0 278.440 2.803 20 70 CFIDRO COCC[C@H](C)[NH2+]C[C@@H](C1CCCCC1)N(C)C ZINC000160416564 322338147 /nfs/dbraw/zinc/33/81/47/322338147.db2.gz GIOQXDXEBLQMIU-ZFWWWQNUSA-N 1 0 256.434 2.512 20 70 CFIDRO Cc1cccn2c(C[NH2+][C@H]3CCOC(C)(C)C3)cnc12 ZINC000160456426 322338358 /nfs/dbraw/zinc/33/83/58/322338358.db2.gz MQYJZDAPIOPDEY-ZDUSSCGKSA-N 1 0 273.380 2.690 20 70 CFIDRO COc1ccc([C@H](C)[NH2+]CC(C)(C)O)cc1Cl ZINC000160606277 322340487 /nfs/dbraw/zinc/34/04/87/322340487.db2.gz WLRDYXJDOFYCQK-VIFPVBQESA-N 1 0 257.761 2.770 20 70 CFIDRO Cc1nc2ccccn2c1C[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000160815133 322343333 /nfs/dbraw/zinc/34/33/33/322343333.db2.gz NNZBKZKAGJBPPE-TXEJJXNPSA-N 1 0 275.421 2.969 20 70 CFIDRO CCc1cccc(CC(=O)Nc2cc(C[NH+](C)C)ccn2)c1 ZINC000160877164 322344251 /nfs/dbraw/zinc/34/42/51/322344251.db2.gz PJTRYZRFAJHRHP-UHFFFAOYSA-N 1 0 297.402 2.887 20 70 CFIDRO CC(C)n1cccc1C(=O)NCC[NH+](C(C)C)C(C)C ZINC000160927455 322344612 /nfs/dbraw/zinc/34/46/12/322344612.db2.gz NEUMILOBHKVVRV-UHFFFAOYSA-N 1 0 279.428 2.918 20 70 CFIDRO CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@@H]1CCc2ccccc21 ZINC000160997224 322345756 /nfs/dbraw/zinc/34/57/56/322345756.db2.gz CKXYXWFNZGWDRB-ZBFHGGJFSA-N 1 0 288.435 2.953 20 70 CFIDRO CC(=O)NC1CCC([NH2+]CCc2c[nH]c3ccccc23)CC1 ZINC000161019871 322345821 /nfs/dbraw/zinc/34/58/21/322345821.db2.gz ZERWFWMWPWBUQJ-UHFFFAOYSA-N 1 0 299.418 2.747 20 70 CFIDRO CC(C)(C)C1CCC(c2cc(NC(=O)C[NH3+])n[nH]2)CC1 ZINC000161068947 322346944 /nfs/dbraw/zinc/34/69/44/322346944.db2.gz RKHYCUXLECWLMH-UHFFFAOYSA-N 1 0 278.400 2.627 20 70 CFIDRO CC[C@H](Cc1ccccc1)NC(=O)C(CC)(CC)C[NH3+] ZINC000161206694 322348749 /nfs/dbraw/zinc/34/87/49/322348749.db2.gz QWDJPIXKJZCPOJ-OAHLLOKOSA-N 1 0 276.424 2.889 20 70 CFIDRO COc1ccc([C@H](C)[NH2+][C@H]2CCC(=O)N(C)C2)cc1Cl ZINC000161204128 322348816 /nfs/dbraw/zinc/34/88/16/322348816.db2.gz MQXWJWHRDCRHHY-JQWIXIFHSA-N 1 0 296.798 2.620 20 70 CFIDRO CCOC(=O)[C@@H]1CCCC[N@@H+]1C[C@H]1CC=CCC1 ZINC000161250123 322349418 /nfs/dbraw/zinc/34/94/18/322349418.db2.gz ZTDGIFVAOODPKX-KBPBESRZSA-N 1 0 251.370 2.760 20 70 CFIDRO CCSCc1cccc(NC(=O)C(C)(C)[NH3+])c1 ZINC000161480102 322352596 /nfs/dbraw/zinc/35/25/96/322352596.db2.gz SNQDLENRHFNYHO-UHFFFAOYSA-N 1 0 252.383 2.616 20 70 CFIDRO CC[NH+]1CCC(CNC(=O)c2cccc(C)c2F)CC1 ZINC000161489322 322352540 /nfs/dbraw/zinc/35/25/40/322352540.db2.gz NVFYUQHISVODJW-UHFFFAOYSA-N 1 0 278.371 2.596 20 70 CFIDRO CC(C)(C)NC(=O)CC[NH2+]Cc1ccc(Cl)cc1F ZINC000160887483 518725507 /nfs/dbraw/zinc/72/55/07/518725507.db2.gz ZMVLBHSEOWDRDO-UHFFFAOYSA-N 1 0 286.778 2.874 20 70 CFIDRO CC(C)(Cc1ccccc1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159976495 519288755 /nfs/dbraw/zinc/28/87/55/519288755.db2.gz GAQVEIHRVYYBOR-IYBDPMFKSA-N 1 0 286.419 2.608 20 70 CFIDRO CC(C)Oc1cccc(CN(C)[C@@H](C[NH3+])C2CC2)c1 ZINC000159697363 519782840 /nfs/dbraw/zinc/78/28/40/519782840.db2.gz VANVWQONBJQARC-INIZCTEOSA-N 1 0 262.397 2.643 20 70 CFIDRO CC(C)[C@H]([NH3+])C(=O)Nc1ccc2nn(C(C)C)cc2c1 ZINC000160069645 519817623 /nfs/dbraw/zinc/81/76/23/519817623.db2.gz DBVOIIUIFKQEIY-AWEZNQCLSA-N 1 0 274.368 2.539 20 70 CFIDRO CCC[NH+]1CCC(N(C)Cc2cnc3ccccn23)CC1 ZINC000160318950 519843893 /nfs/dbraw/zinc/84/38/93/519843893.db2.gz IZBGZWWNEQUCJG-UHFFFAOYSA-N 1 0 286.423 2.641 20 70 CFIDRO CCC[N@@H+]1CCCN(C(=O)c2ccc3ncccc3c2)CC1 ZINC000160373116 519850778 /nfs/dbraw/zinc/85/07/78/519850778.db2.gz SCJFJIQEOGEFTK-UHFFFAOYSA-N 1 0 297.402 2.793 20 70 CFIDRO CC(C)n1cc([C@@H](C)[NH2+]C[C@@H]2CCCC[C@@H]2O)cn1 ZINC000160621600 519973529 /nfs/dbraw/zinc/97/35/29/519973529.db2.gz WLCGBAWUJVQHCL-IPYPFGDCSA-N 1 0 265.401 2.666 20 70 CFIDRO CCCCCOc1ccc([C@H](C)[NH2+]CCO)cc1 ZINC000159712572 520258966 /nfs/dbraw/zinc/25/89/66/520258966.db2.gz OOXJVJQWQKESFG-ZDUSSCGKSA-N 1 0 251.370 2.899 20 70 CFIDRO CCCCSCCC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000159512814 520947221 /nfs/dbraw/zinc/94/72/21/520947221.db2.gz UKORPPAKFQKPHT-UHFFFAOYSA-N 1 0 298.496 2.997 20 70 CFIDRO CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](O)COc1ccc(F)cc1 ZINC000218774132 521820933 /nfs/dbraw/zinc/82/09/33/521820933.db2.gz ZFHJRBAHTCAKKW-OUCADQQQSA-N 1 0 269.360 2.590 20 70 CFIDRO CC[C@@H](C)[N@H+](C)CCNCc1cc(C)ccc1OC ZINC000217398333 522060314 /nfs/dbraw/zinc/06/03/14/522060314.db2.gz FZUCADXDUSBFRY-CQSZACIVSA-N 1 0 264.413 2.824 20 70 CFIDRO COC[C@@H]([NH2+]CCOc1ccccc1C)C(C)C ZINC000161357009 522350425 /nfs/dbraw/zinc/35/04/25/522350425.db2.gz NERXKTFBCSDRIH-CQSZACIVSA-N 1 0 251.370 2.634 20 70 CFIDRO CC[C@H]([NH2+]CCCc1nc(C(C)C)no1)c1cnn(C)c1 ZINC000160760652 522585752 /nfs/dbraw/zinc/58/57/52/522585752.db2.gz YHZOWXRMLHPJJV-ZDUSSCGKSA-N 1 0 291.399 2.600 20 70 CFIDRO CCc1ncnc(NCCC[N@@H+]2CCCC[C@@H]2C)c1F ZINC000217960528 522610155 /nfs/dbraw/zinc/61/01/55/522610155.db2.gz QDIYNQKAYGYAIL-LBPRGKRZSA-N 1 0 280.391 2.855 20 70 CFIDRO CCc1ncnc(NC[C@H](C)C[NH+]2CCCCC2)c1F ZINC000217982241 522611002 /nfs/dbraw/zinc/61/10/02/522611002.db2.gz OQOBOTKMQGGLFB-LBPRGKRZSA-N 1 0 280.391 2.712 20 70 CFIDRO CC[C@@H]([NH2+]CCCN1CCCC1=O)c1cccc(OC)c1 ZINC000159487637 522825835 /nfs/dbraw/zinc/82/58/35/522825835.db2.gz FSAYFZZBXCBBQE-MRXNPFEDSA-N 1 0 290.407 2.748 20 70 CFIDRO CC[C@@H]([NH2+]CCOc1ccc(F)cc1F)[C@H]1CCOC1 ZINC000160089892 522837814 /nfs/dbraw/zinc/83/78/14/522837814.db2.gz VSGFYGYEMHXUGV-SMDDNHRTSA-N 1 0 285.334 2.748 20 70 CFIDRO COc1ccc(CC2CC[NH+](CC(OC)OC)CC2)cc1 ZINC000160774169 523915176 /nfs/dbraw/zinc/91/51/76/523915176.db2.gz MICQFUXZJIGQBZ-UHFFFAOYSA-N 1 0 293.407 2.569 20 70 CFIDRO CC[C@H](C)[N@H+](C)CCNCc1c[nH]nc1-c1ccc(C)o1 ZINC000217395404 523920836 /nfs/dbraw/zinc/92/08/36/523920836.db2.gz NMHGNQTUIJFEBA-LBPRGKRZSA-N 1 0 290.411 2.798 20 70 CFIDRO CN(C(=O)c1ccc(C(C)(C)C)cc1)[C@@H](C[NH3+])C1CC1 ZINC000159848010 523929694 /nfs/dbraw/zinc/92/96/94/523929694.db2.gz YNYLFMNNCZHYOV-HNNXBMFYSA-N 1 0 274.408 2.793 20 70 CFIDRO C[C@H](CCc1ccc(O)cc1)[NH2+]CC1(CO)CCCC1 ZINC000160070510 524232770 /nfs/dbraw/zinc/23/27/70/524232770.db2.gz FMNDXVBDYBUFSD-CQSZACIVSA-N 1 0 277.408 2.856 20 70 CFIDRO C[C@@H]1CCC[C@H](C(=O)NCC[NH+]2CCCCCC2)C1 ZINC000160221987 524346257 /nfs/dbraw/zinc/34/62/57/524346257.db2.gz XOLCUAVEMPATRO-CABCVRRESA-N 1 0 266.429 2.805 20 70 CFIDRO Cc1ccc(C[NH+]2CCC(c3ccnn3CCO)CC2)cc1 ZINC000160657821 524439615 /nfs/dbraw/zinc/43/96/15/524439615.db2.gz WGDBWWBTNYICAB-UHFFFAOYSA-N 1 0 299.418 2.563 20 70 CFIDRO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(C(N)=O)cc2)n1 ZINC000159809976 524850096 /nfs/dbraw/zinc/85/00/96/524850096.db2.gz ZPNCZNSTHAAPGG-KRWDZBQOSA-N 1 0 295.386 2.826 20 70 CFIDRO Cc1cccc([C@H](C)[NH2+]C[C@@H](O)COCC(C)C)c1 ZINC000160251644 524872689 /nfs/dbraw/zinc/87/26/89/524872689.db2.gz RCSTXPNXPMEGDC-GOEBONIOSA-N 1 0 265.397 2.679 20 70 CFIDRO Cc1cccc([C@H]2CCC[N@H+]2CCC(=O)OC(C)C)n1 ZINC000159706115 524894905 /nfs/dbraw/zinc/89/49/05/524894905.db2.gz SYPWYWMZFCYCGC-OAHLLOKOSA-N 1 0 276.380 2.869 20 70 CFIDRO C[C@H]1C[C@H](Nc2nc(C(C)(C)C)ns2)C[N@@H+]1C1CC1 ZINC000159912478 524933257 /nfs/dbraw/zinc/93/32/57/524933257.db2.gz VCNRIBBZJXHWJA-UWVGGRQHSA-N 1 0 280.441 2.873 20 70 CFIDRO COc1ccc([C@@H](C)[C@@H](C)[NH2+][C@@H](CCO)CSC)cc1 ZINC000160306205 525167764 /nfs/dbraw/zinc/16/77/64/525167764.db2.gz YMEOILKLOHYRDS-GUTXKFCHSA-N 1 0 297.464 2.891 20 70 CFIDRO COc1ccc([C@@H](C)[C@H](C)[NH2+][C@@H](CCO)CSC)cc1 ZINC000160306445 525170396 /nfs/dbraw/zinc/17/03/96/525170396.db2.gz YMEOILKLOHYRDS-YDHLFZDLSA-N 1 0 297.464 2.891 20 70 CFIDRO C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CCCN1CCCC1=O ZINC000159590072 525523305 /nfs/dbraw/zinc/52/33/05/525523305.db2.gz DPPWIWQERBZFTL-PXAZEXFGSA-N 1 0 290.382 2.661 20 70 CFIDRO CSCC[C@@H]([NH3+])C(=O)N[C@H](C)CCC1CCCCC1 ZINC000160916120 525544648 /nfs/dbraw/zinc/54/46/48/525544648.db2.gz IMIZHPGMFKFWRM-TZMCWYRMSA-N 1 0 286.485 2.932 20 70 CFIDRO COc1cccc(CCCN2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000160335264 525886472 /nfs/dbraw/zinc/88/64/72/525886472.db2.gz SZCWQRRPUQRDAW-KRWDZBQOSA-N 1 0 288.435 2.798 20 70 CFIDRO C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCC(C)(C)[NH3+] ZINC000159953900 525986082 /nfs/dbraw/zinc/98/60/82/525986082.db2.gz FXFJMTIVTSWSGQ-SECBINFHSA-N 1 0 286.828 2.674 20 70 CFIDRO C[C@H](c1ccccc1)[C@H](C)NC(=O)[C@H]([NH3+])c1ccccc1 ZINC000160892583 526104827 /nfs/dbraw/zinc/10/48/27/526104827.db2.gz YVVLOEKUQAOTNH-GRDNDAEWSA-N 1 0 282.387 2.995 20 70 CFIDRO c1cc([C@H]2CCC[N@H+]2CCOCC2CC2)cc2c1OCO2 ZINC000160460249 526437797 /nfs/dbraw/zinc/43/77/97/526437797.db2.gz HNTNWVSUOKNURF-OAHLLOKOSA-N 1 0 289.375 2.979 20 70 CFIDRO c1cc2cccc(C[NH2+]CCc3ccncc3)c2[nH]1 ZINC000217861622 526450252 /nfs/dbraw/zinc/45/02/52/526450252.db2.gz CUIWOEQTNYFPDC-UHFFFAOYSA-N 1 0 251.333 2.895 20 70 CFIDRO O=C(NC[C@@H]1CCc2ccccc21)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000159726482 526548945 /nfs/dbraw/zinc/54/89/45/526548945.db2.gz YEAINJDWXWVNMO-LAQRGFTBSA-N 1 0 298.430 2.753 20 70 CFIDRO NC(=O)CC1CC[NH+](Cc2coc3ccccc23)CC1 ZINC000159746252 526861987 /nfs/dbraw/zinc/86/19/87/526861987.db2.gz XRCSGBNKVCIQEP-UHFFFAOYSA-N 1 0 272.348 2.520 20 70 CFIDRO CC(C)(C)n1cc(C[NH2+][C@@H]2CCOC(C)(C)C2)cn1 ZINC000160433824 526925280 /nfs/dbraw/zinc/92/52/80/526925280.db2.gz DYRSPJFPHKFOPU-CYBMUJFWSA-N 1 0 265.401 2.685 20 70 CFIDRO Cc1nc2ccccn2c1C[N@H+](C)C[C@H]1CCCOC1 ZINC000160247090 527175672 /nfs/dbraw/zinc/17/56/72/527175672.db2.gz WYVRSCOSACWDJY-CQSZACIVSA-N 1 0 273.380 2.501 20 70 CFIDRO CC(C)([NH3+])CNC(=O)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000160123623 527254320 /nfs/dbraw/zinc/25/43/20/527254320.db2.gz GMNSHFLYFZODJV-CVEARBPZSA-N 1 0 282.387 2.797 20 70 CFIDRO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCc1cc2ccccc2[nH]1 ZINC000160948859 528221146 /nfs/dbraw/zinc/22/11/46/528221146.db2.gz RKEPJPAIWRYQCI-QGZVFWFLSA-N 1 0 299.418 2.701 20 70 CFIDRO CCC([NH3+])(CC)CNC(=O)C[C@H](C)c1ccc(F)cc1 ZINC000160417894 528925786 /nfs/dbraw/zinc/92/57/86/528925786.db2.gz PBUDIIOAYSVHNI-LBPRGKRZSA-N 1 0 280.387 2.953 20 70 CFIDRO CC[N@@H+]1CCCC[C@@H]1C(=O)NCCc1cc2ccccc2[nH]1 ZINC000159661952 528992091 /nfs/dbraw/zinc/99/20/91/528992091.db2.gz FTSVGOULPQHTLW-QGZVFWFLSA-N 1 0 299.418 2.701 20 70 CFIDRO CC[C@](C)(O)C[NH+]1CCC(OC2CCCCC2)CC1 ZINC000160748302 529374320 /nfs/dbraw/zinc/37/43/20/529374320.db2.gz QUARWMMQAKJWQQ-INIZCTEOSA-N 1 0 269.429 2.961 20 70 CFIDRO Cc1ccc(C)c([C@H](C)N(C)C(=O)[C@@H]2CC[C@H]([NH3+])C2)c1 ZINC000159964491 232246524 /nfs/dbraw/zinc/24/65/24/232246524.db2.gz GNEFCDCKMVJXRY-ZNMIVQPWSA-N 1 0 274.408 2.950 20 70 CFIDRO C[C@H](Sc1ccccc1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160715276 232249478 /nfs/dbraw/zinc/24/94/78/232249478.db2.gz NUBVEXQXSJXCFH-MELADBBJSA-N 1 0 290.432 2.520 20 70 CFIDRO Cc1c(C[NH2+]Cc2c(C)cc(C)cc2C)cnn1C ZINC000161307500 232250927 /nfs/dbraw/zinc/25/09/27/232250927.db2.gz IPMDPPNKTHQTBV-UHFFFAOYSA-N 1 0 257.381 2.944 20 70 CFIDRO C[C@@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)c1ccsc1 ZINC000159401876 348012582 /nfs/dbraw/zinc/01/25/82/348012582.db2.gz TYXXHOMZEGNOSN-UKRRQHHQSA-N 1 0 292.448 2.938 20 70 CFIDRO C[C@H](SCc1ccccc1)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000160863351 348021462 /nfs/dbraw/zinc/02/14/62/348021462.db2.gz XDDSJFFPQWIMGU-AEGPPILISA-N 1 0 292.448 2.694 20 70 CFIDRO Cc1cccc(CSCC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000160932134 348022161 /nfs/dbraw/zinc/02/21/61/348022161.db2.gz RXLILQDWEGFLBU-CABCVRRESA-N 1 0 292.448 2.614 20 70 CFIDRO Cc1cccc(CSCC(=O)N[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000160931920 348022507 /nfs/dbraw/zinc/02/25/07/348022507.db2.gz RXLILQDWEGFLBU-GJZGRUSLSA-N 1 0 292.448 2.614 20 70 CFIDRO CC(C)[NH2+]CCC(=O)N[C@@H]1c2cccc(F)c2CC[C@@H]1C ZINC000161097140 348023079 /nfs/dbraw/zinc/02/30/79/348023079.db2.gz LKZZTEQMUPYTQG-SJCJKPOMSA-N 1 0 292.398 2.953 20 70 CFIDRO CSCC[C@@H](C)N(C)C(=O)c1cccc2c1CC[NH2+]C2 ZINC000161258718 348024193 /nfs/dbraw/zinc/02/41/93/348024193.db2.gz MAWKTVSWHYRMEB-GFCCVEGCSA-N 1 0 292.448 2.546 20 70 CFIDRO Cc1ccc(O)c(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)c1 ZINC000217732428 348165187 /nfs/dbraw/zinc/16/51/87/348165187.db2.gz FCQRLPVCRQVUFY-ZIAGYGMSSA-N 1 0 290.407 2.693 20 70 CFIDRO C[C@H](c1ccc(F)cc1F)[N@H+](C)C[C@H](O)C1CC1 ZINC000160868443 539829235 /nfs/dbraw/zinc/82/92/35/539829235.db2.gz FSTUZWGBKGMRJY-OTYXRUKQSA-N 1 0 255.308 2.729 20 70 CFIDRO CCCc1cc(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)sc1C ZINC000159369855 188422620 /nfs/dbraw/zinc/42/26/20/188422620.db2.gz BGVZXBHEERQVCT-INIZCTEOSA-N 1 0 292.448 2.835 20 70 CFIDRO Cc1cc(C)cc(CC[NH2+][C@H](C)c2cnccn2)c1 ZINC000159476024 188427511 /nfs/dbraw/zinc/42/75/11/188427511.db2.gz ZJIYGJYTPVSTDE-CQSZACIVSA-N 1 0 255.365 2.987 20 70 CFIDRO CCNC(=O)c1cccc(C[NH2+][C@@H](C)[C@@H](C)CC)c1 ZINC000160160973 188457974 /nfs/dbraw/zinc/45/79/74/188457974.db2.gz CQURXAOVJTTWHF-STQMWFEESA-N 1 0 262.397 2.961 20 70 CFIDRO CCOc1ccc(Cl)cc1CC[NH2+][C@@H](C)COC ZINC000160007062 188450742 /nfs/dbraw/zinc/45/07/42/188450742.db2.gz AAQCFFGZZZCKIC-NSHDSACASA-N 1 0 271.788 2.906 20 70 CFIDRO CCC([NH3+])(CC)CNC(=O)[C@@H](C)Cc1cccc(F)c1 ZINC000160495798 188476782 /nfs/dbraw/zinc/47/67/82/188476782.db2.gz HDICWCJXEPQIGZ-LBPRGKRZSA-N 1 0 280.387 2.638 20 70 CFIDRO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC(C)(C)O)cc1Cl ZINC000160604280 188482650 /nfs/dbraw/zinc/48/26/50/188482650.db2.gz CAUCWVRQBUMFRV-LLVKDONJSA-N 1 0 298.814 2.726 20 70 CFIDRO COc1cccc(F)c1[C@@H](C)NC(=O)CCCCCC[NH3+] ZINC000161049519 188505263 /nfs/dbraw/zinc/50/52/63/188505263.db2.gz UIYNLUFZCMELPF-GFCCVEGCSA-N 1 0 296.386 2.921 20 70 CFIDRO CCC(CC)c1cc(CNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)on1 ZINC000161109943 188508426 /nfs/dbraw/zinc/50/84/26/188508426.db2.gz YGTRAYGMXZEGPU-QWHCGFSZSA-N 1 0 293.411 2.712 20 70 CFIDRO CCCn1nccc1CNC[C@@H](C)C[NH+]1CCCCC1 ZINC000160108930 540668703 /nfs/dbraw/zinc/66/87/03/540668703.db2.gz PLFGGPXCAKDKEN-OAHLLOKOSA-N 1 0 278.444 2.505 20 70 CFIDRO CCC([NH3+])(CC)CNC(=O)C1(c2ccc(F)cc2)CCC1 ZINC000160529413 540674863 /nfs/dbraw/zinc/67/48/63/540674863.db2.gz XDQTTWPLBHBNHS-UHFFFAOYSA-N 1 0 292.398 2.881 20 70 CFIDRO Cc1cc(NC(=O)[C@@H]2CCC[C@@H]2[NH3+])ccc1OC(C)C ZINC000160902208 540682941 /nfs/dbraw/zinc/68/29/41/540682941.db2.gz GMQOKBNFEUBJOB-KGLIPLIRSA-N 1 0 276.380 2.848 20 70 CFIDRO CC(C)c1cccc(OCC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000161115197 540688778 /nfs/dbraw/zinc/68/87/78/540688778.db2.gz QQJSWRFKMHRNLE-CABCVRRESA-N 1 0 290.407 2.575 20 70 CFIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2cc3ccccc3s2)C1 ZINC000161137909 540689660 /nfs/dbraw/zinc/68/96/60/540689660.db2.gz ZCBKOTBLRUTZDM-NWDGAFQWSA-N 1 0 274.389 2.901 20 70 CFIDRO [NH3+][C@H]1CCC[C@H](NC(=O)CCSc2ccc(F)cc2)C1 ZINC000161373135 540692319 /nfs/dbraw/zinc/69/23/19/540692319.db2.gz LRPLQMSBCAHJRN-STQMWFEESA-N 1 0 296.411 2.694 20 70 CFIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000161392906 540692788 /nfs/dbraw/zinc/69/27/88/540692788.db2.gz IHSJYNHIQMSXLB-RYUDHWBXSA-N 1 0 286.297 2.705 20 70 CFIDRO CC(C)C[C@@H]([NH3+])C(=O)N1CCSC2(CCCCC2)C1 ZINC000161449118 540693591 /nfs/dbraw/zinc/69/35/91/540693591.db2.gz OFONGDOUVRTORY-CYBMUJFWSA-N 1 0 284.469 2.638 20 70 CFIDRO CC(C)C[C@@H]([NH3+])C(=O)N(C)Cc1cc2ccccc2o1 ZINC000161413365 540693069 /nfs/dbraw/zinc/69/30/69/540693069.db2.gz CITKMWSJKGKNTC-CQSZACIVSA-N 1 0 274.364 2.765 20 70 CFIDRO C[NH2+]C[C@H](C)C(=O)N1C[C@H](c2ccccc2C)C[C@H]1C ZINC000159891194 283575807 /nfs/dbraw/zinc/57/58/07/283575807.db2.gz UXLOKTCATZBXHQ-RRFJBIMHSA-N 1 0 274.408 2.555 20 70 CFIDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C1C2CC3CC(C2)CC1C3 ZINC000160196613 296023314 /nfs/dbraw/zinc/02/33/14/296023314.db2.gz VWGVGYXHSHPERB-LUCZXWKPSA-N 1 0 290.451 2.787 20 70 CFIDRO CC[NH+](CC)CCNC(=O)Nc1ccnc(C)c1Cl ZINC000159613234 541002203 /nfs/dbraw/zinc/00/22/03/541002203.db2.gz SQFGWOONXNKDLJ-UHFFFAOYSA-N 1 0 284.791 2.507 20 70 CFIDRO CCn1nccc1C[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000159975505 541019178 /nfs/dbraw/zinc/01/91/78/541019178.db2.gz NBQZAJHMKHUIJY-OAHLLOKOSA-N 1 0 284.407 2.519 20 70 CFIDRO COc1cc(N[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1F ZINC000160038823 541020743 /nfs/dbraw/zinc/02/07/43/541020743.db2.gz LOSCXLQPYVFLMR-PWSUYJOCSA-N 1 0 252.333 2.729 20 70 CFIDRO C[C@@H]([NH2+][C@H]1CCN(C2CCCCC2)C1=O)c1ccncc1 ZINC000160139992 541022075 /nfs/dbraw/zinc/02/20/75/541022075.db2.gz SFZCELFYMQZIGS-CJNGLKHVSA-N 1 0 287.407 2.666 20 70 CFIDRO C[C@@H]([NH2+][C@H]1CCN(C2CCCCC2)C1=O)c1cccnc1 ZINC000160154988 541022365 /nfs/dbraw/zinc/02/23/65/541022365.db2.gz SWDDFDSIMLDVCU-CJNGLKHVSA-N 1 0 287.407 2.666 20 70 CFIDRO CC1(C)C[C@H]([NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)CCO1 ZINC000218656133 541035062 /nfs/dbraw/zinc/03/50/62/541035062.db2.gz LJIKWAOLQXKCGA-NFAWXSAZSA-N 1 0 285.453 2.588 20 70 CFIDRO Cc1c2c(sc1NC(=O)[C@]1(C)CC[NH2+]C1)CCCC2 ZINC000160986608 291603243 /nfs/dbraw/zinc/60/32/43/291603243.db2.gz XCLJIRQTXFTXRW-OAHLLOKOSA-N 1 0 278.421 2.873 20 70 CFIDRO COC[C@@H]([NH2+]C[C@H](C)N1CCc2sccc2C1)C(C)C ZINC000159872492 378736225 /nfs/dbraw/zinc/73/62/25/378736225.db2.gz KMEQBAUXIDTFGK-DZGCQCFKSA-N 1 0 296.480 2.755 20 70 CFIDRO C[C@H](C[NH2+][C@@H](C)c1cnn(C)c1)N1CCc2ccccc21 ZINC000159920856 378738282 /nfs/dbraw/zinc/73/82/82/378738282.db2.gz OZFNHOQQWRUWDT-KGLIPLIRSA-N 1 0 284.407 2.522 20 70 CFIDRO CCCC[C@H](COC)[NH2+]C[C@](C)(O)c1ccsc1 ZINC000160033685 378743229 /nfs/dbraw/zinc/74/32/29/378743229.db2.gz TXGQCONZJIEJSK-KGLIPLIRSA-N 1 0 271.426 2.750 20 70 CFIDRO C[N@H+](Cc1ccc(C(=O)OC(C)(C)C)cc1)[C@H]1CCOC1 ZINC000160066764 378746920 /nfs/dbraw/zinc/74/69/20/378746920.db2.gz NLYCVRJDHNCLNH-HNNXBMFYSA-N 1 0 291.391 2.863 20 70 CFIDRO C[C@@]1(c2ccccc2)CCCN(C(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000160101877 378748839 /nfs/dbraw/zinc/74/88/39/378748839.db2.gz FMMPMSHSWKMAOQ-SJLPKXTDSA-N 1 0 286.419 2.709 20 70 CFIDRO C[C@@H](CO)[C@H](C)[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000160152639 378751684 /nfs/dbraw/zinc/75/16/84/378751684.db2.gz UDKOZOWXOUNNBR-IUCAKERBSA-N 1 0 279.277 2.951 20 70 CFIDRO CCOc1cccc(C[NH2+][C@H](C)CC(=O)N(CC)CC)c1 ZINC000159408742 378706904 /nfs/dbraw/zinc/70/69/04/378706904.db2.gz GJJAEBHFMUXCER-CQSZACIVSA-N 1 0 292.423 2.822 20 70 CFIDRO CCCC[C@@H](C)[NH2+]C1CCN(C(=O)c2ccncc2)CC1 ZINC000160219166 378755224 /nfs/dbraw/zinc/75/52/24/378755224.db2.gz HKOCXXXBMCKFSH-CQSZACIVSA-N 1 0 289.423 2.855 20 70 CFIDRO C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)C[NH2+]CC2CC2)C1 ZINC000159434246 378709510 /nfs/dbraw/zinc/70/95/10/378709510.db2.gz IQLNWAGOJOJWKY-MLGOLLRUSA-N 1 0 290.382 2.735 20 70 CFIDRO C[C@@H]([NH2+]CCCN1CCCC1=O)C(C)(C)c1ccccc1 ZINC000159474874 378712647 /nfs/dbraw/zinc/71/26/47/378712647.db2.gz RUYQBEPMKOXJIO-OAHLLOKOSA-N 1 0 288.435 2.955 20 70 CFIDRO Cc1cccc([C@H](C)[NH2+]CCCN2CCCC2=O)c1 ZINC000159577871 378719170 /nfs/dbraw/zinc/71/91/70/378719170.db2.gz SEKQELXKAALKEZ-AWEZNQCLSA-N 1 0 260.381 2.658 20 70 CFIDRO Cc1ccc(C(=O)CC[NH+]2CCC([C@H](C)O)CC2)cc1 ZINC000159619054 378719752 /nfs/dbraw/zinc/71/97/52/378719752.db2.gz QLCNLJQHZPPVAT-AWEZNQCLSA-N 1 0 275.392 2.661 20 70 CFIDRO CC(C)N(CC[NH+](C)C)C(=O)N[C@H]1CCCCC1(C)C ZINC000159606160 378720320 /nfs/dbraw/zinc/72/03/20/378720320.db2.gz GBFNVCNWBMUFLV-AWEZNQCLSA-N 1 0 283.460 2.937 20 70 CFIDRO C[C@@H](NC(=O)[C@@H]1CCCC[NH2+]1)c1ccc(F)cc1Cl ZINC000159627791 378721529 /nfs/dbraw/zinc/72/15/29/378721529.db2.gz NMPKIBMDSWIUBV-RNCFNFMXSA-N 1 0 284.762 2.798 20 70 CFIDRO COc1ccccc1C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000159657608 378723027 /nfs/dbraw/zinc/72/30/27/378723027.db2.gz IIMUARZOOYYOEX-BPUTZDHNSA-N 1 0 273.376 2.742 20 70 CFIDRO Cc1ccc([C@@H](C)CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000159657240 378723142 /nfs/dbraw/zinc/72/31/42/378723142.db2.gz RMFCKQAYUQMTAD-IMJJTQAJSA-N 1 0 274.408 2.732 20 70 CFIDRO CCOc1ccc([C@@H](CC)[NH2+]CCO)cc1OCC ZINC000159713821 378725910 /nfs/dbraw/zinc/72/59/10/378725910.db2.gz AAARFUYTEXAXAM-CYBMUJFWSA-N 1 0 267.369 2.517 20 70 CFIDRO C[C@H]([NH2+]CCCc1cccc(F)c1)c1cnn(C)c1 ZINC000159773448 378728525 /nfs/dbraw/zinc/72/85/25/378728525.db2.gz QUVULBDBJNYZRB-LBPRGKRZSA-N 1 0 261.344 2.843 20 70 CFIDRO CCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccccc2C)C1 ZINC000159819609 378731632 /nfs/dbraw/zinc/73/16/32/378731632.db2.gz QWZKGNDDNZEPHV-KBPBESRZSA-N 1 0 260.381 2.657 20 70 CFIDRO O=C([C@H]1CCCC[NH2+]1)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000159805951 378732572 /nfs/dbraw/zinc/73/25/72/378732572.db2.gz JCUCUVITYKVDOO-UKRRQHHQSA-N 1 0 292.810 2.798 20 70 CFIDRO C[C@H](C(=O)N1CC[C@@H]([NH3+])C1)c1ccc2ccccc2c1 ZINC000160309901 378762378 /nfs/dbraw/zinc/76/23/78/378762378.db2.gz CNSNUUXOKOFJOB-BLLLJJGKSA-N 1 0 268.360 2.503 20 70 CFIDRO COCCCCC[NH2+]Cc1ccccc1NC(C)=O ZINC000160370636 378766069 /nfs/dbraw/zinc/76/60/69/378766069.db2.gz DSJSOVMDAKYRPO-UHFFFAOYSA-N 1 0 264.369 2.551 20 70 CFIDRO CC(C)N(C)C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160380392 378766083 /nfs/dbraw/zinc/76/60/83/378766083.db2.gz XCBZKZPTLOSQNC-GDBMZVCRSA-N 1 0 289.423 2.699 20 70 CFIDRO COC[C@@H](C)[NH2+]CCc1csc(-c2ccccc2)n1 ZINC000160388649 378768214 /nfs/dbraw/zinc/76/82/14/378768214.db2.gz ZXORDHLLQRKKJQ-GFCCVEGCSA-N 1 0 276.405 2.977 20 70 CFIDRO CCOCCC[N@@H+]1C[C@H](c2ccccc2)OC[C@@H]1C ZINC000160380929 378768591 /nfs/dbraw/zinc/76/85/91/378768591.db2.gz XQVIABJPGAAPDY-GOEBONIOSA-N 1 0 263.381 2.875 20 70 CFIDRO CC[N@H+](CC(=O)N[C@@H]1CCCc2sccc21)C1CC1 ZINC000160385013 378768758 /nfs/dbraw/zinc/76/87/58/378768758.db2.gz LIGOTJWYVFLRPG-CYBMUJFWSA-N 1 0 278.421 2.726 20 70 CFIDRO CCc1nnc(CN[C@@H](C)c2cccc(C)c2C)[nH]1 ZINC000160443906 378772439 /nfs/dbraw/zinc/77/24/39/378772439.db2.gz QSIASXUVBGWHMH-LBPRGKRZSA-N 1 0 258.369 2.835 20 70 CFIDRO CCC([NH3+])(CC)CNC(=O)[C@H]1C[C@H]1c1ccc(F)cc1F ZINC000160503310 378777715 /nfs/dbraw/zinc/77/77/15/378777715.db2.gz FDBITHGEGZCQAD-STQMWFEESA-N 1 0 296.361 2.702 20 70 CFIDRO O=C(C[C@@H]1CCC[NH2+]1)Nc1ccccc1OCC1CC1 ZINC000160527322 378779289 /nfs/dbraw/zinc/77/92/89/378779289.db2.gz CMJHKPJRNWTTKM-ZDUSSCGKSA-N 1 0 274.364 2.556 20 70 CFIDRO COc1cccc(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000160795231 378800848 /nfs/dbraw/zinc/80/08/48/378800848.db2.gz DGRQNTBPMNIDNF-NVXWUHKLSA-N 1 0 275.392 2.822 20 70 CFIDRO C[NH2+][C@H]1CCN(C(=O)c2oc3ccc(Cl)cc3c2C)C1 ZINC000160610578 378785851 /nfs/dbraw/zinc/78/58/51/378785851.db2.gz ZZTBGESUOVZUHB-NSHDSACASA-N 1 0 292.766 2.829 20 70 CFIDRO CC(C)(O)C[NH2+][C@@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000160632335 378786278 /nfs/dbraw/zinc/78/62/78/378786278.db2.gz CQGOZSYFCBJXBY-ZIAGYGMSSA-N 1 0 251.345 2.822 20 70 CFIDRO Cc1ccc(C[N@H+](C)Cc2cnc3cnccn23)cc1 ZINC000160635698 378787908 /nfs/dbraw/zinc/78/79/08/378787908.db2.gz FKLCHQNGSLWMRJ-UHFFFAOYSA-N 1 0 266.348 2.670 20 70 CFIDRO COc1ccccc1C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160799547 378800880 /nfs/dbraw/zinc/80/08/80/378800880.db2.gz HIHSZJTXGMJFPO-WBVHZDCISA-N 1 0 275.392 2.822 20 70 CFIDRO CC[C@H](NC(=O)C[C@@H]1CCC[NH2+]1)c1cc(F)ccc1F ZINC000160659142 378789433 /nfs/dbraw/zinc/78/94/33/378789433.db2.gz BMCVYRPRCHAINV-FZMZJTMJSA-N 1 0 282.334 2.674 20 70 CFIDRO [NH3+][C@H]1CC[C@H](C(=O)Nc2ccc(F)cc2OCC2CC2)C1 ZINC000160677672 378791044 /nfs/dbraw/zinc/79/10/44/378791044.db2.gz XLJVKWKHANBTSF-AAEUAGOBSA-N 1 0 292.354 2.680 20 70 CFIDRO CC[C@@H](C(=O)Nc1cc(C)ccc1Cl)[NH+](C)C ZINC000160780747 378798935 /nfs/dbraw/zinc/79/89/35/378798935.db2.gz OAYTUEZIOWLCKD-LBPRGKRZSA-N 1 0 254.761 2.927 20 70 CFIDRO C[C@@H]1CN(C(=O)C[C@@H]2CCC[NH2+]2)CC[C@H]1c1ccccc1 ZINC000161238682 378833108 /nfs/dbraw/zinc/83/31/08/378833108.db2.gz MIDBQFGZZSUJHY-HYVNUMGLSA-N 1 0 286.419 2.781 20 70 CFIDRO Cc1ccc(C(C)(C)CN(C)C(=O)C[C@H]2CCC[NH2+]2)cc1 ZINC000161257894 378833979 /nfs/dbraw/zinc/83/39/79/378833979.db2.gz ORKQOQMVJVSAPF-MRXNPFEDSA-N 1 0 288.435 2.873 20 70 CFIDRO CC(C)[C@@H](NC(=O)[C@H](C)[NH3+])c1ccccc1Cl ZINC000160829242 378802586 /nfs/dbraw/zinc/80/25/86/378802586.db2.gz VHLDHUPSFIXELI-JOYOIKCWSA-N 1 0 254.761 2.501 20 70 CFIDRO CC[C@@H](COC)[NH2+][C@H](CCCO)c1ccccc1 ZINC000160883740 378805300 /nfs/dbraw/zinc/80/53/00/378805300.db2.gz MLAJPVOYFWJPJU-LSDHHAIUSA-N 1 0 251.370 2.515 20 70 CFIDRO COCC[C@H](C)[NH2+][C@H](CCCO)c1ccccc1 ZINC000160874493 378806503 /nfs/dbraw/zinc/80/65/03/378806503.db2.gz SJQZIVRQSJWRPX-DZGCQCFKSA-N 1 0 251.370 2.515 20 70 CFIDRO CC[C@@H](COC)[NH2+]C[C@@H](C)N(C)Cc1ccccc1 ZINC000160888411 378807709 /nfs/dbraw/zinc/80/77/09/378807709.db2.gz VZXPQFBCBRZYTF-ZBFHGGJFSA-N 1 0 264.413 2.522 20 70 CFIDRO Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CC(=O)NC(C)C ZINC000160924876 378809798 /nfs/dbraw/zinc/80/97/98/378809798.db2.gz ZBERLEJLSJBIHI-SNVBAGLBSA-N 1 0 283.441 2.750 20 70 CFIDRO CSCC[C@H]([NH3+])C(=O)N[C@@H](C)CCC1CCCCC1 ZINC000160916242 378810157 /nfs/dbraw/zinc/81/01/57/378810157.db2.gz IMIZHPGMFKFWRM-JSGCOSHPSA-N 1 0 286.485 2.932 20 70 CFIDRO CC(C)(C)Oc1ccccc1NC(=O)[C@H]1CCC[NH2+]C1 ZINC000160945915 378811147 /nfs/dbraw/zinc/81/11/47/378811147.db2.gz KYIXHUYDMDTUQU-LBPRGKRZSA-N 1 0 276.380 2.802 20 70 CFIDRO C[C@@H]([NH2+]Cc1cc(F)cc(Cl)c1)C(=O)NC(C)(C)C ZINC000160980589 378813638 /nfs/dbraw/zinc/81/36/38/378813638.db2.gz JWLVQMZJLYQGTR-SECBINFHSA-N 1 0 286.778 2.872 20 70 CFIDRO NC(=O)c1c[nH+]ccc1N[C@H]1CCCc2sccc21 ZINC000161052738 378817808 /nfs/dbraw/zinc/81/78/08/378817808.db2.gz LXQQDGFYYCMCMR-NSHDSACASA-N 1 0 273.361 2.732 20 70 CFIDRO Cc1ncc([C@H](C)N[C@H]2CCC[C@H]([NH+](C)C)C2)c(C)n1 ZINC000161050490 378818368 /nfs/dbraw/zinc/81/83/68/378818368.db2.gz RQGJJSSYRWPINS-QEJZJMRPSA-N 1 0 276.428 2.617 20 70 CFIDRO CC(C)[C@H]([NH3+])C(=O)Nc1cc(C2CCCCCC2)[nH]n1 ZINC000161071784 378819497 /nfs/dbraw/zinc/81/94/97/378819497.db2.gz PYQXBDFHTDBZHD-AWEZNQCLSA-N 1 0 278.400 2.769 20 70 CFIDRO C[C@H](O)C(C)(C)[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000161136589 378824891 /nfs/dbraw/zinc/82/48/91/378824891.db2.gz WHNHQJAFFMDKLN-JTQLQIEISA-N 1 0 299.798 2.750 20 70 CFIDRO CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H](CC)COC)c1 ZINC000161135949 378824908 /nfs/dbraw/zinc/82/49/08/378824908.db2.gz LIDAHZLXTGUPEB-BBRMVZONSA-N 1 0 292.423 2.730 20 70 CFIDRO C[C@H](O)C(C)(C)[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000161129667 378824977 /nfs/dbraw/zinc/82/49/77/378824977.db2.gz VQUVXHLWWXGTBN-VIFPVBQESA-N 1 0 277.286 2.834 20 70 CFIDRO CC[NH+](CC)[C@@H](CNC(=O)C[C@H](C)SC)c1ccco1 ZINC000161387879 378842858 /nfs/dbraw/zinc/84/28/58/378842858.db2.gz QAZGGRDPMLKXGH-STQMWFEESA-N 1 0 298.452 2.920 20 70 CFIDRO CS[C@H](C)CC(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000161377932 378843321 /nfs/dbraw/zinc/84/33/21/378843321.db2.gz HLDNGRBEEZUZJQ-UKRRQHHQSA-N 1 0 294.464 2.856 20 70 CFIDRO C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)C[C@@H]1CCC[NH2+]1 ZINC000161424525 378846031 /nfs/dbraw/zinc/84/60/31/378846031.db2.gz UNKFOMKYTPXUER-KBMXLJTQSA-N 1 0 272.392 2.533 20 70 CFIDRO CC[C@H](Cc1ccccc1)N(CC)C(=O)C[C@H]1CCC[NH2+]1 ZINC000161437143 378848266 /nfs/dbraw/zinc/84/82/66/378848266.db2.gz ZKLBCSDNXTVLGI-IAGOWNOFSA-N 1 0 288.435 2.998 20 70 CFIDRO C[C@@H]1CCC[C@@H](CCNC(=O)C[N@H+](C)[C@@H]2CCSC2)C1 ZINC000160057471 322332464 /nfs/dbraw/zinc/33/24/64/322332464.db2.gz IPVJJWLVKQFPRH-QLFBSQMISA-N 1 0 298.496 2.756 20 70 CFIDRO C[C@@H](C(=O)NCCC1=CCCC1)[NH+]1CCCCCC1 ZINC000160233526 322335064 /nfs/dbraw/zinc/33/50/64/322335064.db2.gz QSJKJNLWWKASSB-AWEZNQCLSA-N 1 0 264.413 2.868 20 70 CFIDRO CC[C@H](C)N(C)CC[NH2+]Cc1cc(C)c(O)c(C)c1 ZINC000217735656 382788065 /nfs/dbraw/zinc/78/80/65/382788065.db2.gz YVQYCRZMYKXFSK-AWEZNQCLSA-N 1 0 264.413 2.829 20 70 CFIDRO c1cc2cccc(C[NH2+]CCCOC[C@H]3CCCO3)c2[nH]1 ZINC000218081789 382788945 /nfs/dbraw/zinc/78/89/45/382788945.db2.gz GTEOVVMOIVIUMI-MRXNPFEDSA-N 1 0 288.391 2.843 20 70 CFIDRO CC(C)[C@H](C[NH2+]Cc1ccnn1C)c1ccccc1 ZINC000218233977 382790011 /nfs/dbraw/zinc/79/00/11/382790011.db2.gz WNQPFHUOINAYLN-INIZCTEOSA-N 1 0 257.381 2.950 20 70 CFIDRO CN(C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)[C@H](C[NH3+])C1CC1 ZINC000159879845 394365772 /nfs/dbraw/zinc/36/57/72/394365772.db2.gz VNIRFKISFIKYDQ-GRYCIOLGSA-N 1 0 292.345 2.551 20 70 CFIDRO C[C@H]([NH3+])C(=O)N[C@H](CC1CCCCC1)C(C)(C)C ZINC000160073357 394366145 /nfs/dbraw/zinc/36/61/45/394366145.db2.gz BFMGYLUCCGFUCA-WCQYABFASA-N 1 0 254.418 2.835 20 70 CFIDRO CC[C@H]([NH3+])C(=O)NCCc1cccc(-c2ccccc2)c1 ZINC000160514531 394366512 /nfs/dbraw/zinc/36/65/12/394366512.db2.gz DAEJIFLCOUNBCH-KRWDZBQOSA-N 1 0 282.387 2.750 20 70 CFIDRO C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]CC(C)(C)O ZINC000160592641 394366895 /nfs/dbraw/zinc/36/68/95/394366895.db2.gz SXPPBVZYOYCXSP-HZMBPMFUSA-N 1 0 251.345 2.810 20 70 CFIDRO COc1c(C)cnc(C[N@H+](C[C@@H]2CCOC2)C2CC2)c1C ZINC000160968769 286182103 /nfs/dbraw/zinc/18/21/03/286182103.db2.gz KEAJYEKJJDYCPQ-AWEZNQCLSA-N 1 0 290.407 2.708 20 70 CFIDRO CC[C@H]([NH2+]C1CCN(C)CC1)c1cccc(OC)c1 ZINC000161438745 276583394 /nfs/dbraw/zinc/58/33/94/276583394.db2.gz KEWKTEKEUWQCEO-INIZCTEOSA-N 1 0 262.397 2.830 20 70 CFIDRO C[NH2+]C[C@H](C)C(=O)N1C[C@@H](c2ccccc2C)C[C@@H]1C ZINC000159891061 277029962 /nfs/dbraw/zinc/02/99/62/277029962.db2.gz UXLOKTCATZBXHQ-KKUMJFAQSA-N 1 0 274.408 2.555 20 70 CFIDRO C[C@@H]1CC[C@H](NC(=O)N2CC[NH+](CC3CC3)CC2)[C@@H](C)C1 ZINC000217185093 278606502 /nfs/dbraw/zinc/60/65/02/278606502.db2.gz ZBUPQBPCHNTAOJ-YCPHGPKFSA-N 1 0 293.455 2.548 20 70 CFIDRO CC[C@@H](C)[NH2+][C@@H](CN1CCCC1=O)c1ccccc1 ZINC000160738743 280112187 /nfs/dbraw/zinc/11/21/87/280112187.db2.gz RRHQBVMUSFUEMP-HIFRSBDPSA-N 1 0 260.381 2.738 20 70 CFIDRO Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000159895498 292661484 /nfs/dbraw/zinc/66/14/84/292661484.db2.gz MFKKMGZFJIPIGE-OAGGEKHMSA-N 1 0 286.419 2.842 20 70 CFIDRO COC[C@@H]([NH2+]C[C@@H](C)N1CCc2sccc2C1)C(C)C ZINC000159872218 292836429 /nfs/dbraw/zinc/83/64/29/292836429.db2.gz KMEQBAUXIDTFGK-UKRRQHHQSA-N 1 0 296.480 2.755 20 70 CFIDRO COc1ccc(C)cc1C[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000159458874 322322962 /nfs/dbraw/zinc/32/29/62/322322962.db2.gz QXXJZDRJRWCXOM-HIFRSBDPSA-N 1 0 263.381 2.596 20 70 CFIDRO C[N@H+](CCOc1ccc(Cl)cc1)C[C@@H]1CCC[C@@H]1O ZINC000159562710 322324457 /nfs/dbraw/zinc/32/44/57/322324457.db2.gz LTGYXKZHSMAOAI-WFASDCNBSA-N 1 0 283.799 2.812 20 70 CFIDRO C[C@@H](OC1CCCCCC1)C(=O)NCC(C)(C)C[NH+](C)C ZINC000159580895 322324660 /nfs/dbraw/zinc/32/46/60/322324660.db2.gz PBEDZTFVXYPLCG-CQSZACIVSA-N 1 0 298.471 2.818 20 70 CFIDRO Cc1ccccc1[C@H](C)[NH2+]CCOC[C@@H]1CCCO1 ZINC000159644119 322325890 /nfs/dbraw/zinc/32/58/90/322325890.db2.gz UEGGNUXHICDCSL-GJZGRUSLSA-N 1 0 263.381 2.841 20 70 CFIDRO CC1(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000159669032 322326456 /nfs/dbraw/zinc/32/64/56/322326456.db2.gz BDVODNRTXIDAMQ-LBPRGKRZSA-N 1 0 278.421 2.801 20 70 CFIDRO CCCn1cc(C[N@H+](C)Cc2ccc(OC)cc2)cn1 ZINC000159860569 322329406 /nfs/dbraw/zinc/32/94/06/322329406.db2.gz SJAPTMVYLACPPA-UHFFFAOYSA-N 1 0 273.380 2.934 20 70 CFIDRO C[C@@H]1CCC[C@](CNC(=O)NC2(C)CCC2)([NH+](C)C)C1 ZINC000159884376 322329769 /nfs/dbraw/zinc/32/97/69/322329769.db2.gz LPPCAKXBEYWUHX-CJNGLKHVSA-N 1 0 281.444 2.739 20 70 CFIDRO Cc1cccc([C@H](C)[NH2+]CCCNC(=O)C(C)C)c1 ZINC000159979723 322331148 /nfs/dbraw/zinc/33/11/48/322331148.db2.gz QNDCESWFJDIUII-AWEZNQCLSA-N 1 0 262.397 2.808 20 70 CFIDRO CC(C)[C@@H](C)[NH2+][C@@H]1CCCN(c2ccccc2F)C1=O ZINC000160178609 322334018 /nfs/dbraw/zinc/33/40/18/322334018.db2.gz CPABOYNPVYGCJB-TZMCWYRMSA-N 1 0 278.371 2.955 20 70 CFIDRO CCSCC[C@H](C)NC(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000160208702 322334530 /nfs/dbraw/zinc/33/45/30/322334530.db2.gz WDXYFKKIUWLOSN-SWLSCSKDSA-N 1 0 292.448 2.521 20 70 CFIDRO CC[C@]1(C)C[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000160401400 322337617 /nfs/dbraw/zinc/33/76/17/322337617.db2.gz OUHSNNQRNFVLOP-IIAWOOMASA-N 1 0 266.429 2.659 20 70 CFIDRO C[NH+](C)[C@@H](CNC(=O)C(C)(C)C1CCCC1)C1CC1 ZINC000160451872 322338623 /nfs/dbraw/zinc/33/86/23/322338623.db2.gz DCPVSGPSHILVKU-AWEZNQCLSA-N 1 0 266.429 2.659 20 70 CFIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(Cl)cn1C ZINC000160452349 322338607 /nfs/dbraw/zinc/33/86/07/322338607.db2.gz STYLULAQXFLFQG-CYBMUJFWSA-N 1 0 297.830 2.529 20 70 CFIDRO Cc1ccc(F)c(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC000160510191 322339136 /nfs/dbraw/zinc/33/91/36/322339136.db2.gz IMSLOUKUFBBMQS-CQSZACIVSA-N 1 0 292.398 2.984 20 70 CFIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(F)ccc1F ZINC000160538449 322339415 /nfs/dbraw/zinc/33/94/15/322339415.db2.gz OXGFOOZEKKPSRX-CYBMUJFWSA-N 1 0 296.361 2.815 20 70 CFIDRO COC[C@@H]([NH2+]CC(C)(C)O)c1cccc(C(F)(F)F)c1 ZINC000160628230 322340729 /nfs/dbraw/zinc/34/07/29/322340729.db2.gz NKCFYZZTKQRJRR-GFCCVEGCSA-N 1 0 291.313 2.753 20 70 CFIDRO CC[C@H](C)OCC(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000160655866 322341013 /nfs/dbraw/zinc/34/10/13/322341013.db2.gz MOLDSCQZIJJQHK-KKUMJFAQSA-N 1 0 298.471 2.674 20 70 CFIDRO CC(C)S(=O)(=O)CCC[N@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000160756530 322342315 /nfs/dbraw/zinc/34/23/15/322342315.db2.gz WCHGHBCJHXZRRT-UONOGXRCSA-N 1 0 275.458 2.710 20 70 CFIDRO CCc1cc(=O)[nH]c(C[N@H+](C)[C@H]2CCCC[C@@H]2C)n1 ZINC000160756901 322342383 /nfs/dbraw/zinc/34/23/83/322342383.db2.gz SKUYTNJXQNWSIB-AAEUAGOBSA-N 1 0 263.385 2.755 20 70 CFIDRO CCc1cc(=O)[nH]c(C[N@H+](C)[C@@H]2CCCC[C@@H]2C)n1 ZINC000160756791 322342516 /nfs/dbraw/zinc/34/25/16/322342516.db2.gz SKUYTNJXQNWSIB-WCQYABFASA-N 1 0 263.385 2.755 20 70 CFIDRO C[C@H]([NH2+]CC(=O)Nc1ccccc1)c1ccc2c(c1)OCO2 ZINC000160794511 322342951 /nfs/dbraw/zinc/34/29/51/322342951.db2.gz ZTMGUXSZIBNYEG-LBPRGKRZSA-N 1 0 298.342 2.705 20 70 CFIDRO CC1(C)CCCN(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000160876465 322343947 /nfs/dbraw/zinc/34/39/47/322343947.db2.gz WBRGPCZZMJLYSS-AWEZNQCLSA-N 1 0 293.455 2.835 20 70 CFIDRO Cc1ccc(C[N@@H+](C)Cc2ccc(-n3cncn3)cc2)o1 ZINC000160870604 322344049 /nfs/dbraw/zinc/34/40/49/322344049.db2.gz ZPWIQIUAUKLSPA-UHFFFAOYSA-N 1 0 282.347 2.801 20 70 CFIDRO C[C@H]([NH2+]C[C@@H]1CCc2ccccc21)c1cnn(C)c1 ZINC000160975488 322345570 /nfs/dbraw/zinc/34/55/70/322345570.db2.gz NOLSTCFZUPXMBL-JSGCOSHPSA-N 1 0 255.365 2.801 20 70 CFIDRO CC[C@@H](NC(=O)CC[NH2+]C(C)C)c1ccc(F)cc1F ZINC000161208472 322348638 /nfs/dbraw/zinc/34/86/38/322348638.db2.gz XWRHXLVSJJVHDB-CQSZACIVSA-N 1 0 284.350 2.920 20 70 CFIDRO CC(C)(C)C(=O)N1CCC(C[N@@H+]2CCCSCC2)CC1 ZINC000161185213 322348687 /nfs/dbraw/zinc/34/86/87/322348687.db2.gz RGZGNBFDDMHSJN-UHFFFAOYSA-N 1 0 298.496 2.710 20 70 CFIDRO CCOc1cccc([C@H](C)[NH2+]Cc2cn(C)nc2C)c1 ZINC000161302771 322349883 /nfs/dbraw/zinc/34/98/83/322349883.db2.gz QAYRWKOPYVZMRN-LBPRGKRZSA-N 1 0 273.380 2.978 20 70 CFIDRO C[C@@H](c1cccnc1)N(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000161493635 322352258 /nfs/dbraw/zinc/35/22/58/322352258.db2.gz YKTKLKVCNRYURP-AWEZNQCLSA-N 1 0 297.402 2.976 20 70 CFIDRO CCC[N@@H+]1CCCN(C(=O)C2CCCCC2)CC1 ZINC000160384744 519848407 /nfs/dbraw/zinc/84/84/07/519848407.db2.gz PDRUVFFTVBSLJI-UHFFFAOYSA-N 1 0 252.402 2.511 20 70 CFIDRO CC(C)(C[NH2+]Cc1coc2ccccc12)N1CCOCC1 ZINC000159795151 519268738 /nfs/dbraw/zinc/26/87/38/519268738.db2.gz PYXDGENQUWBOKR-UHFFFAOYSA-N 1 0 288.391 2.633 20 70 CFIDRO CC(C)C(=O)N[C@@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC000160126730 519510036 /nfs/dbraw/zinc/51/00/36/519510036.db2.gz AMRRWVZKOQHBEH-OAHLLOKOSA-N 1 0 266.429 2.803 20 70 CFIDRO CC(=O)NC1CCC([NH2+]CCCOC2CCCCC2)CC1 ZINC000161235192 519645140 /nfs/dbraw/zinc/64/51/40/519645140.db2.gz NHMCUSPYNSGOEC-UHFFFAOYSA-N 1 0 296.455 2.763 20 70 CFIDRO CC(C)Oc1ccc(C[NH2+][C@H](C)C2CCOCC2)cn1 ZINC000160108157 519779996 /nfs/dbraw/zinc/77/99/96/519779996.db2.gz IXKQZQZANKTTJQ-CYBMUJFWSA-N 1 0 278.396 2.774 20 70 CFIDRO CC(C)[C@H](C)[NH2+]Cc1ccc(CN2CCOCC2)cc1 ZINC000160584796 519813083 /nfs/dbraw/zinc/81/30/83/519813083.db2.gz VYSFWQZAAACGAM-HNNXBMFYSA-N 1 0 276.424 2.653 20 70 CFIDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2cnc3ccccn23)C1(C)C ZINC000160570144 520541584 /nfs/dbraw/zinc/54/15/84/520541584.db2.gz AGFVRXUSVUMGFY-CABCVRRESA-N 1 0 287.407 2.970 20 70 CFIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](C)C2CCCCC2)CC1 ZINC000159901471 521609298 /nfs/dbraw/zinc/60/92/98/521609298.db2.gz PYBXXKXKSFHQBS-CQSZACIVSA-N 1 0 281.444 2.692 20 70 CFIDRO CCOCCC[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000160462124 521706078 /nfs/dbraw/zinc/70/60/78/521706078.db2.gz YAVVPTYMCWWCSN-CQSZACIVSA-N 1 0 277.364 2.979 20 70 CFIDRO CCSCc1cccc(NC(=O)[C@@H]2CCC[NH2+]C2)c1 ZINC000161481059 521718446 /nfs/dbraw/zinc/71/84/46/521718446.db2.gz VNVCSXKHRYJHBI-CYBMUJFWSA-N 1 0 278.421 2.878 20 70 CFIDRO CO[C@]1(C[NH2+]C2CC(c3ccccc3Cl)C2)CCOC1 ZINC000160120029 521770312 /nfs/dbraw/zinc/77/03/12/521770312.db2.gz KMWPHNVUJLILRE-ZUEPYMLJSA-N 1 0 295.810 2.981 20 70 CFIDRO C[NH2+]C[C@H](C)C(=O)Nc1cc(C2CCCCCC2)[nH]n1 ZINC000159478879 522068165 /nfs/dbraw/zinc/06/81/65/522068165.db2.gz IRNWNWRYIRCKRQ-NSHDSACASA-N 1 0 278.400 2.642 20 70 CFIDRO CC[C@@H](C)c1cc(C(=O)NC[C@H](C)C[NH+]2CCCC2)on1 ZINC000161078251 522421540 /nfs/dbraw/zinc/42/15/40/522421540.db2.gz OFHDRUSYYIJBFG-QWHCGFSZSA-N 1 0 293.411 2.650 20 70 CFIDRO COC(C[NH+]1CCC(Oc2c(C)cccc2C)CC1)OC ZINC000160606020 522530783 /nfs/dbraw/zinc/53/07/83/522530783.db2.gz ILAUDMQVXLPIDM-UHFFFAOYSA-N 1 0 293.407 2.766 20 70 CFIDRO CC[C@H]([NH2+]C[C@H]1CN(C2CC2)CCO1)c1ccc(F)cc1 ZINC000160913115 522635429 /nfs/dbraw/zinc/63/54/29/522635429.db2.gz UUZPEEXCRLNKCW-IRXDYDNUSA-N 1 0 292.398 2.730 20 70 CFIDRO CC[C@H]([NH2+][C@H](CCO)CSC)c1cccc(OC)c1 ZINC000160198943 522746133 /nfs/dbraw/zinc/74/61/33/522746133.db2.gz VEDPWLQPZNKPEM-HIFRSBDPSA-N 1 0 283.437 2.850 20 70 CFIDRO CC[C@@H]([NH2+][C@@H](CCO)CSC)c1cccc(OC)c1 ZINC000160198807 522918945 /nfs/dbraw/zinc/91/89/45/522918945.db2.gz VEDPWLQPZNKPEM-DZGCQCFKSA-N 1 0 283.437 2.850 20 70 CFIDRO CC[C@@H]([NH2+][C@@H]1CCc2nc(C)nn2C1)c1cccs1 ZINC000160418758 522929473 /nfs/dbraw/zinc/92/94/73/522929473.db2.gz LKCACRNRYNIRRT-VXGBXAGGSA-N 1 0 276.409 2.704 20 70 CFIDRO CC[C@@H]1CCCN(C(C)(C)C[NH2+][C@@H](COC)C2CC2)C1 ZINC000161027022 523248435 /nfs/dbraw/zinc/24/84/35/523248435.db2.gz CEBTZJZYUQAVCD-ZBFHGGJFSA-N 1 0 282.472 2.902 20 70 CFIDRO CN(Cc1cccc(C(F)(F)F)c1)[C@H](C[NH3+])C1CC1 ZINC000159741988 523299862 /nfs/dbraw/zinc/29/98/62/523299862.db2.gz KPMUUNGTHUSDBV-CYBMUJFWSA-N 1 0 272.314 2.875 20 70 CFIDRO CCn1cc([C@@H](C)[NH2+]C[C@H]2CC(=O)Nc3ccccc32)cn1 ZINC000160645496 523455163 /nfs/dbraw/zinc/45/51/63/523455163.db2.gz GEYKXRFYRQYNKH-CHWSQXEVSA-N 1 0 298.390 2.680 20 70 CFIDRO COCCN(C)CC[NH2+][C@H](C)c1cc(C)c(F)c(C)c1 ZINC000159427891 523610901 /nfs/dbraw/zinc/61/09/01/523610901.db2.gz OYXYOXUWAHPYQE-CQSZACIVSA-N 1 0 282.403 2.671 20 70 CFIDRO CCc1ccc(CC(=O)NC[C@H](C)C[NH+]2CCCC2)cc1 ZINC000161068845 523907750 /nfs/dbraw/zinc/90/77/50/523907750.db2.gz ADGOPINSDBFZIF-HNNXBMFYSA-N 1 0 288.435 2.640 20 70 CFIDRO COc1ccc(C[NH2+]C[C@@H]2CCC(C)(C)O2)c(OC)c1 ZINC000160288535 524071584 /nfs/dbraw/zinc/07/15/84/524071584.db2.gz NFPFMSZSAACDIX-AWEZNQCLSA-N 1 0 279.380 2.751 20 70 CFIDRO C[C@@H]1CCC[C@H](C(=O)NCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC000160587245 524346085 /nfs/dbraw/zinc/34/60/85/524346085.db2.gz DDTYMFRWJHNQQV-ILXRZTDVSA-N 1 0 266.429 2.661 20 70 CFIDRO C[C@@H](CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000160104396 524363581 /nfs/dbraw/zinc/36/35/81/524363581.db2.gz QYJRQJPFYKSHML-CWRNSKLLSA-N 1 0 272.392 2.533 20 70 CFIDRO C[C@H](CNC(=O)[C@@H]1CCC[C@@H](C)C1)C[NH+]1CCCC1 ZINC000161074551 524441303 /nfs/dbraw/zinc/44/13/03/524441303.db2.gz AVMVUJAQPFNJDG-RBSFLKMASA-N 1 0 266.429 2.661 20 70 CFIDRO Cc1ccc(C[C@@H](C)N(C)C(=O)C[C@@H]2CCC[NH2+]2)cc1 ZINC000159638235 524655983 /nfs/dbraw/zinc/65/59/83/524655983.db2.gz BXONIMKYCOMVED-ZBFHGGJFSA-N 1 0 274.408 2.527 20 70 CFIDRO C[C@H](NC[C@@H](C1CCCCC1)[NH+](C)C)c1cnn(C)c1 ZINC000160403343 525374643 /nfs/dbraw/zinc/37/46/43/525374643.db2.gz RFVJDYOXCIGTAY-BBRMVZONSA-N 1 0 278.444 2.581 20 70 CFIDRO C[C@@H]([NH2+]CC1(c2ccc(F)cc2)CC1)[C@@H]1CCOC1 ZINC000161352401 525424231 /nfs/dbraw/zinc/42/42/31/525424231.db2.gz WDMWLAMCVUTEGO-CHWSQXEVSA-N 1 0 263.356 2.872 20 70 CFIDRO CSCC[C@H](C)[N@H+](C)Cc1cnc2ccccn12 ZINC000160508097 525564899 /nfs/dbraw/zinc/56/48/99/525564899.db2.gz HDMPGXQJDMWHLS-LBPRGKRZSA-N 1 0 263.410 2.908 20 70 CFIDRO C[C@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)c1cncs1 ZINC000161048866 525611884 /nfs/dbraw/zinc/61/18/84/525611884.db2.gz KTZRRMJAVHPDAS-SRVKXCTJSA-N 1 0 253.415 2.667 20 70 CFIDRO C[C@H](O)C(C)(C)[NH2+]Cc1cccc(Br)c1 ZINC000160615990 525695753 /nfs/dbraw/zinc/69/57/53/525695753.db2.gz SRHWPDXCOCVGSJ-VIFPVBQESA-N 1 0 272.186 2.698 20 70 CFIDRO CSC[C@H](CCO)[NH2+][C@H]1CCc2c1cccc2C ZINC000160185855 525702094 /nfs/dbraw/zinc/70/20/94/525702094.db2.gz ZELMPIIGXYYHNY-WFASDCNBSA-N 1 0 265.422 2.686 20 70 CFIDRO COc1cccc(CC[NH2+]Cc2cn3ccccc3n2)c1 ZINC000218209795 525901509 /nfs/dbraw/zinc/90/15/09/525901509.db2.gz WDRIRXVUXQDMNS-UHFFFAOYSA-N 1 0 281.359 2.675 20 70 CFIDRO Cc1ccc(/C=C/C(=O)N2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000159794134 525947097 /nfs/dbraw/zinc/94/70/97/525947097.db2.gz NPXLYARLMWKBTJ-CMDGGOBGSA-N 1 0 298.430 2.999 20 70 CFIDRO O=C([C@H]1CCC[NH2+]C1)N1CCC(c2ccc(F)cc2)CC1 ZINC000159569453 526542383 /nfs/dbraw/zinc/54/23/83/526542383.db2.gz REQLGBLQYWQIKI-HNNXBMFYSA-N 1 0 290.382 2.531 20 70 CFIDRO c1nc2ccccn2c1CN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000159667930 526609290 /nfs/dbraw/zinc/60/92/90/526609290.db2.gz NTROIUBAMMZITE-MRXNPFEDSA-N 1 0 298.434 2.785 20 70 CFIDRO c1nc2ccccn2c1CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000160796014 526609757 /nfs/dbraw/zinc/60/97/57/526609757.db2.gz BTEWGCPFYSTOQP-INIZCTEOSA-N 1 0 298.434 2.642 20 70 CFIDRO O=C(Nc1ccc(CC(F)(F)F)cc1)[C@H]1CCC[NH2+]C1 ZINC000160304491 527166419 /nfs/dbraw/zinc/16/64/19/527166419.db2.gz OOSKZVCPSXAWQA-NSHDSACASA-N 1 0 286.297 2.730 20 70 CFIDRO OCC1(C[NH2+]Cc2c[nH]nc2-c2ccccc2)CCCC1 ZINC000160089368 527524293 /nfs/dbraw/zinc/52/42/93/527524293.db2.gz WAUIBYAUHGDMSY-UHFFFAOYSA-N 1 0 285.391 2.719 20 70 CFIDRO CC(C)COC1CC[NH+](CCOCC2CC2)CC1 ZINC000159473416 528080274 /nfs/dbraw/zinc/08/02/74/528080274.db2.gz KEPSMEKMKFPTOK-UHFFFAOYSA-N 1 0 255.402 2.550 20 70 CFIDRO CCCc1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)sc1C ZINC000160715707 528580429 /nfs/dbraw/zinc/58/04/29/528580429.db2.gz WHIWIDRLIZUSLJ-OKILXGFUSA-N 1 0 292.448 2.976 20 70 CFIDRO CCC([NH3+])(CC)CNC(=O)c1ccc(F)c(CSC)c1 ZINC000160482977 528946528 /nfs/dbraw/zinc/94/65/28/528946528.db2.gz QLVRQPUBBUUEKR-UHFFFAOYSA-N 1 0 298.427 2.936 20 70 CFIDRO CC[N@@H+]1CCCN(C(=O)NCCC2CCCCC2)CC1 ZINC000159649523 529023594 /nfs/dbraw/zinc/02/35/94/529023594.db2.gz WPIKZEFQMJVRLR-UHFFFAOYSA-N 1 0 281.444 2.694 20 70 CFIDRO CC[N@@H+]1CCCN(C(=O)NC[C@H]2CCC[C@H](C)C2)CC1 ZINC000159742074 529027085 /nfs/dbraw/zinc/02/70/85/529027085.db2.gz OUVMKQHFGNWROG-GJZGRUSLSA-N 1 0 281.444 2.550 20 70 CFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1)CC2 ZINC000160456354 282125249 /nfs/dbraw/zinc/12/52/49/282125249.db2.gz CIIWJYHUSVXHPK-LKFCYVNXSA-N 1 0 292.333 2.530 20 70 CFIDRO CC[C@@](C)(O)C[NH+]1CCC(OC2CCCCC2)CC1 ZINC000160748441 529508957 /nfs/dbraw/zinc/50/89/57/529508957.db2.gz QUARWMMQAKJWQQ-MRXNPFEDSA-N 1 0 269.429 2.961 20 70 CFIDRO C[C@@H]1CC[C@@H](CC(=O)NCC2([NH3+])CCCCC2)C1 ZINC000159647102 232245544 /nfs/dbraw/zinc/24/55/44/232245544.db2.gz OFZUCWQUXRYDDO-CHWSQXEVSA-N 1 0 252.402 2.591 20 70 CFIDRO Fc1cc(F)cc(CNCC[NH+]2CCCCCC2)c1 ZINC000159804082 232245665 /nfs/dbraw/zinc/24/56/65/232245665.db2.gz FZGYHYDCRRXEOZ-UHFFFAOYSA-N 1 0 268.351 2.930 20 70 CFIDRO c1ccc(N[C@@H]2CC[N@@H+](CCOCC3CC3)C2)cc1 ZINC000160277695 232247161 /nfs/dbraw/zinc/24/71/61/232247161.db2.gz RGAWVLYJKBGUBQ-MRXNPFEDSA-N 1 0 260.381 2.599 20 70 CFIDRO C[C@@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)c1ccsc1 ZINC000159401632 348012436 /nfs/dbraw/zinc/01/24/36/348012436.db2.gz TYXXHOMZEGNOSN-HIFRSBDPSA-N 1 0 292.448 2.938 20 70 CFIDRO Cc1cccc([C@@H](C)C(=O)NCC[NH+]2CCC(C)CC2)c1 ZINC000159878654 348015225 /nfs/dbraw/zinc/01/52/25/348015225.db2.gz WVHBBYKJPHXVCA-MRXNPFEDSA-N 1 0 288.435 2.947 20 70 CFIDRO CC(C)[NH2+]CCC(=O)N(CCc1cccc(F)c1)C1CC1 ZINC000160114828 348016349 /nfs/dbraw/zinc/01/63/49/348016349.db2.gz LRVVKQOPTAJPOK-UHFFFAOYSA-N 1 0 292.398 2.747 20 70 CFIDRO CC(C)[C@H]1CCCCN1C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160625267 348018806 /nfs/dbraw/zinc/01/88/06/348018806.db2.gz WQARAVSITYZTDG-HZPDHXFCSA-N 1 0 293.455 2.691 20 70 CFIDRO CCC[NH+]1CCC(N(C)C(=O)NCC(CC)CC)CC1 ZINC000160607176 348018950 /nfs/dbraw/zinc/01/89/50/348018950.db2.gz LSIPCHLZQOFRBK-UHFFFAOYSA-N 1 0 283.460 2.938 20 70 CFIDRO CCN(C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)[C@H](C)C(C)C ZINC000160758243 348020721 /nfs/dbraw/zinc/02/07/21/348020721.db2.gz MPMATAHIOSAYOW-UKRRQHHQSA-N 1 0 281.444 2.547 20 70 CFIDRO CCC(CC)(C[NH3+])C(=O)N[C@H]1CCc2c1cccc2C ZINC000161215780 348023766 /nfs/dbraw/zinc/02/37/66/348023766.db2.gz AEGKRXNYLLXJOP-HNNXBMFYSA-N 1 0 274.408 2.864 20 70 CFIDRO C[C@H](CC(=O)N(C)c1ccccc1)[NH2+][C@H]1CCCSC1 ZINC000159636322 188435273 /nfs/dbraw/zinc/43/52/73/188435273.db2.gz FSIJLUPVAQKCRQ-KGLIPLIRSA-N 1 0 292.448 2.913 20 70 CFIDRO O=C(C1CC[NH2+]CC1)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000159807545 188443488 /nfs/dbraw/zinc/44/34/88/188443488.db2.gz SJHUAHFOBOQLGU-CQSZACIVSA-N 1 0 292.810 2.656 20 70 CFIDRO Cc1csc(CCCC[NH2+][C@H](C)c2cnn(C)c2)n1 ZINC000160672628 188486193 /nfs/dbraw/zinc/48/61/93/188486193.db2.gz AEFBRJFUBNDMIU-GFCCVEGCSA-N 1 0 278.425 2.859 20 70 CFIDRO C[C@H]([NH2+][C@H](CCO)c1ccccc1)c1cncs1 ZINC000160997706 188503071 /nfs/dbraw/zinc/50/30/71/188503071.db2.gz VIXXPPOEZUYDGL-WCQYABFASA-N 1 0 262.378 2.917 20 70 CFIDRO Cc1cccc(C(C)(C)NC(=O)c2ccc(C[NH3+])o2)c1 ZINC000159645064 540660523 /nfs/dbraw/zinc/66/05/23/540660523.db2.gz AMAYFPMIRNPOOL-UHFFFAOYSA-N 1 0 272.348 2.712 20 70 CFIDRO CCCn1nccc1CNCCC[NH+]1CCC(C)CC1 ZINC000159986306 540666874 /nfs/dbraw/zinc/66/68/74/540666874.db2.gz QQDRZUSPIUYMBX-UHFFFAOYSA-N 1 0 278.444 2.505 20 70 CFIDRO CCCC[NH+]1CCC(NCc2ccnn2CCC)CC1 ZINC000160084088 540667821 /nfs/dbraw/zinc/66/78/21/540667821.db2.gz MOYYKUAOIXLCFE-UHFFFAOYSA-N 1 0 278.444 2.647 20 70 CFIDRO CCCn1nccc1CNC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000160113132 540668502 /nfs/dbraw/zinc/66/85/02/540668502.db2.gz FCZKKDZPKGZXHY-DOTOQJQBSA-N 1 0 292.471 2.893 20 70 CFIDRO CC[C@H](NC(=O)CC1([NH3+])CCC1)c1cc(F)ccc1F ZINC000160659637 540677356 /nfs/dbraw/zinc/67/73/56/540677356.db2.gz GWIPRJXWWNJMNI-ZDUSSCGKSA-N 1 0 282.334 2.804 20 70 CFIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)CCCc2ccc(F)c(F)c2)C1 ZINC000160791211 540679941 /nfs/dbraw/zinc/67/99/41/540679941.db2.gz BTQGUZVQSBEUKS-QWHCGFSZSA-N 1 0 296.361 2.674 20 70 CFIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2cc3ccccc3s2)C1 ZINC000161138035 540689678 /nfs/dbraw/zinc/68/96/78/540689678.db2.gz ZCBKOTBLRUTZDM-RYUDHWBXSA-N 1 0 274.389 2.901 20 70 CFIDRO C[C@H](C(=O)N[C@H]1CCC[C@H]([NH3+])C1)c1ccc(Cl)s1 ZINC000161229681 540690772 /nfs/dbraw/zinc/69/07/72/540690772.db2.gz AGLJGRXZGWCXEN-GUBZILKMSA-N 1 0 286.828 2.891 20 70 CFIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2cc3cccc(F)c3o2)C1 ZINC000161444855 540693477 /nfs/dbraw/zinc/69/34/77/540693477.db2.gz IBEIRQRGUFUODV-QWRGUYRKSA-N 1 0 276.311 2.572 20 70 CFIDRO CCc1oc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1C ZINC000159498810 540996973 /nfs/dbraw/zinc/99/69/73/540996973.db2.gz QGFNPJBWTCKIOH-UHFFFAOYSA-N 1 0 299.374 2.508 20 70 CFIDRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1coc2ccccc12 ZINC000159550809 540998674 /nfs/dbraw/zinc/99/86/74/540998674.db2.gz LUSBFYHXWBUHTD-RYUDHWBXSA-N 1 0 272.348 2.519 20 70 CFIDRO COc1cc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1F ZINC000160038912 541020787 /nfs/dbraw/zinc/02/07/87/541020787.db2.gz LOSCXLQPYVFLMR-JQWIXIFHSA-N 1 0 252.333 2.729 20 70 CFIDRO c1nc2ccccn2c1CN1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000160250466 541410437 /nfs/dbraw/zinc/41/04/37/541410437.db2.gz FUDTUSAFMQUUAL-MRXNPFEDSA-N 1 0 298.434 2.785 20 70 CFIDRO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CC(C)(C)O ZINC000160626474 541443556 /nfs/dbraw/zinc/44/35/56/541443556.db2.gz LTDIJBAJGFIUFL-JTQLQIEISA-N 1 0 291.420 2.935 20 70 CFIDRO C[C@@H]([NH2+][C@@H](CC(N)=O)C1CCCCC1)c1ccccn1 ZINC000159751753 296153006 /nfs/dbraw/zinc/15/30/06/296153006.db2.gz KZDKMIQYLKWEBO-DOMZBBRYSA-N 1 0 275.396 2.557 20 70 CFIDRO CC1([NH2+]Cc2cnn(Cc3ccccc3)c2)CCC1 ZINC000159917995 378736888 /nfs/dbraw/zinc/73/68/88/378736888.db2.gz QFAKNIHDMRYCCM-UHFFFAOYSA-N 1 0 255.365 2.964 20 70 CFIDRO CC(C)C(=O)N1CCC([NH2+]Cc2cc(F)cc(F)c2)CC1 ZINC000159918154 378737022 /nfs/dbraw/zinc/73/70/22/378737022.db2.gz AVJUDBXMQQJBPN-UHFFFAOYSA-N 1 0 296.361 2.701 20 70 CFIDRO CC(C)([NH3+])CNC(=O)c1cc(F)c(Cl)cc1Cl ZINC000159933988 378738657 /nfs/dbraw/zinc/73/86/57/378738657.db2.gz FTWRBQLNOIQCJR-UHFFFAOYSA-N 1 0 279.142 2.600 20 70 CFIDRO C[C@H](CC(=O)NC[C@@H]1CC[N@H+](C)C1)c1ccc(F)cc1F ZINC000160100509 378748637 /nfs/dbraw/zinc/74/86/37/378748637.db2.gz MLTXYKXZSJLOCB-NEPJUHHUSA-N 1 0 296.361 2.526 20 70 CFIDRO CC(C)[C@H](O)C[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000160150241 378751948 /nfs/dbraw/zinc/75/19/48/378751948.db2.gz OBRZMJJBROKKQH-GFCCVEGCSA-N 1 0 279.277 2.951 20 70 CFIDRO [NH3+]CCCNC(=O)c1cc(Cl)ccc1OC1CCCC1 ZINC000160152771 378752331 /nfs/dbraw/zinc/75/23/31/378752331.db2.gz MPOLEPCDDPAECL-UHFFFAOYSA-N 1 0 296.798 2.740 20 70 CFIDRO CC[C@H]([NH2+]CCN(C)CCOC)c1ccc(F)cc1F ZINC000159376124 378705084 /nfs/dbraw/zinc/70/50/84/378705084.db2.gz IGAIOCUFQMCWHS-HNNXBMFYSA-N 1 0 286.366 2.584 20 70 CFIDRO c1ccc(CN2CCC([NH2+][C@@H]3CCCSC3)CC2)nc1 ZINC000159519969 378713637 /nfs/dbraw/zinc/71/36/37/378713637.db2.gz SNFIFWGFJZDPOX-MRXNPFEDSA-N 1 0 291.464 2.531 20 70 CFIDRO CC[N@@H+]1CC[C@H](CNC(=O)c2ccc3nc(C)ccc3c2)C1 ZINC000159547336 378715166 /nfs/dbraw/zinc/71/51/66/378715166.db2.gz RBDAQUDCXRGREH-CQSZACIVSA-N 1 0 297.402 2.615 20 70 CFIDRO Cc1nnc(N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000160214373 378755727 /nfs/dbraw/zinc/75/57/27/378755727.db2.gz BOVKWURUPULDSO-SMDDNHRTSA-N 1 0 288.420 2.779 20 70 CFIDRO O=C(N1C[C@H]2CCC[C@@H](C1)[NH2+]2)C1(c2ccccc2)CCCC1 ZINC000159583690 378718789 /nfs/dbraw/zinc/71/87/89/378718789.db2.gz BOZZNFRCLIBBIB-CALCHBBNSA-N 1 0 298.430 2.851 20 70 CFIDRO COc1cccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1 ZINC000159617163 378720287 /nfs/dbraw/zinc/72/02/87/378720287.db2.gz GEFCQYZJMLABQL-OAGGEKHMSA-N 1 0 273.376 2.742 20 70 CFIDRO CC(C)=CCOc1ccc(CC[C@H](C)[NH2+]CCO)cc1 ZINC000159680537 378724522 /nfs/dbraw/zinc/72/45/22/378724522.db2.gz GLBMNTCXVMJEGN-HNNXBMFYSA-N 1 0 277.408 2.935 20 70 CFIDRO CC[C@H](NC(=O)[C@H]1CCCC[NH2+]1)c1ccc(F)cc1F ZINC000159725775 378727876 /nfs/dbraw/zinc/72/78/76/378727876.db2.gz MLORBGCQOHISPZ-UONOGXRCSA-N 1 0 282.334 2.674 20 70 CFIDRO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)CO[C@@H]1CCOC1 ZINC000159778905 378730395 /nfs/dbraw/zinc/73/03/95/378730395.db2.gz NLDJWFGJSNZYPZ-SOUVJXGZSA-N 1 0 263.381 2.840 20 70 CFIDRO Cc1cc(C)n(-c2ccc(C[N@@H+]3CCCC[C@@H]3CO)cc2)n1 ZINC000159804714 378731487 /nfs/dbraw/zinc/73/14/87/378731487.db2.gz PKSIBNCFTKAGNZ-GOSISDBHSA-N 1 0 299.418 2.836 20 70 CFIDRO C[C@@]1(c2ccccc2)CCC[N@H+](CCn2ccnc2)C1 ZINC000159827129 378732553 /nfs/dbraw/zinc/73/25/53/378732553.db2.gz ZCPIFZVDKIOGML-QGZVFWFLSA-N 1 0 269.392 2.937 20 70 CFIDRO c1cn(CC[N@@H+](Cc2ccccc2)CC2CCOCC2)cn1 ZINC000159815263 378732611 /nfs/dbraw/zinc/73/26/11/378732611.db2.gz IPLBMJJNKAELCG-UHFFFAOYSA-N 1 0 299.418 2.812 20 70 CFIDRO CCN(CC)C(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000159848361 378734326 /nfs/dbraw/zinc/73/43/26/378734326.db2.gz MMDAROKOPLTGSQ-GOEBONIOSA-N 1 0 289.423 2.701 20 70 CFIDRO CSC[C@H](CCO)[NH2+][C@H]1CCCOc2ccc(C)cc21 ZINC000160275716 378760413 /nfs/dbraw/zinc/76/04/13/378760413.db2.gz JDKKXKGZPVVZEI-ZFWWWQNUSA-N 1 0 295.448 2.912 20 70 CFIDRO [NH3+]C[C@@H]1CCCN1C(=O)c1ccc(SC(F)F)cc1 ZINC000160273907 378760753 /nfs/dbraw/zinc/76/07/53/378760753.db2.gz SOOYDUUGVWCZEJ-JTQLQIEISA-N 1 0 286.347 2.565 20 70 CFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(Cl)s1)CC2 ZINC000160370492 378766214 /nfs/dbraw/zinc/76/62/14/378766214.db2.gz OVDMBGOAHFAPIK-PSASIEDQSA-N 1 0 296.827 2.967 20 70 CFIDRO C[C@@H](NC[C@@H](C1CCCCC1)[NH+](C)C)c1cnccn1 ZINC000160402705 378770132 /nfs/dbraw/zinc/77/01/32/378770132.db2.gz LRIHMFFEYMIFAK-CJNGLKHVSA-N 1 0 276.428 2.638 20 70 CFIDRO CCc1nnc(C[NH2+][C@H](C)C(C)(C)c2ccccc2)[nH]1 ZINC000160402143 378770402 /nfs/dbraw/zinc/77/04/02/378770402.db2.gz KLTLDBALTOFHHX-GFCCVEGCSA-N 1 0 272.396 2.823 20 70 CFIDRO C[C@@H](NC[C@H](C1CCCCC1)[NH+](C)C)c1cnccn1 ZINC000160402952 378770465 /nfs/dbraw/zinc/77/04/65/378770465.db2.gz LRIHMFFEYMIFAK-CZUORRHYSA-N 1 0 276.428 2.638 20 70 CFIDRO CCC([NH3+])(CC)CNC(=O)CCCc1ccc(OC)cc1 ZINC000160414387 378770648 /nfs/dbraw/zinc/77/06/48/378770648.db2.gz GHZQTAOEAQYZBK-UHFFFAOYSA-N 1 0 292.423 2.652 20 70 CFIDRO C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CC(C)(C)O ZINC000160592382 378784645 /nfs/dbraw/zinc/78/46/45/378784645.db2.gz SXPPBVZYOYCXSP-IINYFYTJSA-N 1 0 251.345 2.810 20 70 CFIDRO Cc1cccc(C)c1CC[NH2+][C@@H](C(N)=O)c1ccccc1 ZINC000160615656 378785670 /nfs/dbraw/zinc/78/56/70/378785670.db2.gz BTQVEWLUHUKDOO-QGZVFWFLSA-N 1 0 282.387 2.662 20 70 CFIDRO C[NH2+][C@@H]1CCN(C(=O)/C=C/c2cc(Cl)ccc2Cl)C1 ZINC000160606310 378786266 /nfs/dbraw/zinc/78/62/66/378786266.db2.gz FFFSEMKIRFJHTM-ROLFPQFPSA-N 1 0 299.201 2.827 20 70 CFIDRO CC[C@@]1(C)CCCN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000160776711 378798026 /nfs/dbraw/zinc/79/80/26/378798026.db2.gz KMJCUJAUJFNLGP-WMZOPIPTSA-N 1 0 286.419 2.740 20 70 CFIDRO C[C@@H]1C[C@@H]([NH2+]CCOc2cccc(Cl)c2)CCN1C ZINC000160251210 378759079 /nfs/dbraw/zinc/75/90/79/378759079.db2.gz IDSVQEDFPVHUIS-OCCSQVGLSA-N 1 0 282.815 2.791 20 70 CFIDRO COc1cc(OC)c(NC(=O)CCCCCC[NH3+])cc1F ZINC000161209079 378830586 /nfs/dbraw/zinc/83/05/86/378830586.db2.gz BDGLNKRPWZJNSO-UHFFFAOYSA-N 1 0 298.358 2.691 20 70 CFIDRO CCC(CC)(C[NH3+])C(=O)NC[C@@H]1CCc2ccccc21 ZINC000161223340 378831474 /nfs/dbraw/zinc/83/14/74/378831474.db2.gz HFKXUSRTGGYQNJ-AWEZNQCLSA-N 1 0 274.408 2.598 20 70 CFIDRO Cc1nccc(N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000160867333 378806311 /nfs/dbraw/zinc/80/63/11/378806311.db2.gz RNZKLYKKNXOYIK-XJKSGUPXSA-N 1 0 282.391 2.860 20 70 CFIDRO C[C@H](CCC1CCCCC1)NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000160915697 378810382 /nfs/dbraw/zinc/81/03/82/378810382.db2.gz XFQIDMDIIQYVQH-UKRRQHHQSA-N 1 0 266.429 2.851 20 70 CFIDRO C[C@@H](CCc1ccco1)[NH2+][C@@H]1CCCc2[nH]c(=O)ccc21 ZINC000160963321 378810936 /nfs/dbraw/zinc/81/09/36/378810936.db2.gz UFYSXOKPKQGUDR-SWLSCSKDSA-N 1 0 286.375 2.956 20 70 CFIDRO C[C@H]([NH2+]Cc1cc(F)cc(Cl)c1)C(=O)N1CCCC1 ZINC000160981288 378813436 /nfs/dbraw/zinc/81/34/36/378813436.db2.gz SIRAWLKURVXGPE-JTQLQIEISA-N 1 0 284.762 2.580 20 70 CFIDRO CC[C@@H]([NH2+][C@@H]1CCCCNC1=O)c1ccc(F)cc1F ZINC000160997940 378814152 /nfs/dbraw/zinc/81/41/52/378814152.db2.gz DSKIFRUUDRMCHI-ZIAGYGMSSA-N 1 0 282.334 2.674 20 70 CFIDRO CCCC[C@@H](NCc1cccc2cc[nH]c21)C(=O)OC ZINC000161043821 378815669 /nfs/dbraw/zinc/81/56/69/378815669.db2.gz WXKKKZYYDWOFGM-CQSZACIVSA-N 1 0 274.364 2.989 20 70 CFIDRO O=C(C[C@H]1CCC[NH2+]1)Nc1ccc(F)cc1OC(F)F ZINC000161085250 378820046 /nfs/dbraw/zinc/82/00/46/378820046.db2.gz RPRRDJYYGJLSJC-SECBINFHSA-N 1 0 288.269 2.508 20 70 CFIDRO CC[C@@H](Cc1ccccc1)N(C)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000161105673 378821780 /nfs/dbraw/zinc/82/17/80/378821780.db2.gz MSCGNGAHDTUDGS-JYJNAYRXSA-N 1 0 274.408 2.594 20 70 CFIDRO C[C@@H](O)C(C)(C)[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000161129775 378823971 /nfs/dbraw/zinc/82/39/71/378823971.db2.gz VQUVXHLWWXGTBN-SECBINFHSA-N 1 0 277.286 2.834 20 70 CFIDRO C[C@H](O)C(C)(C)[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000161153808 378826578 /nfs/dbraw/zinc/82/65/78/378826578.db2.gz DKYKYBCZBCNDMF-NSHDSACASA-N 1 0 263.381 2.649 20 70 CFIDRO CC(=O)NC1CCC([NH2+]CCc2c(F)cccc2F)CC1 ZINC000161315247 378839390 /nfs/dbraw/zinc/83/93/90/378839390.db2.gz XKXJRJGFBTWVNB-UHFFFAOYSA-N 1 0 296.361 2.544 20 70 CFIDRO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+][C@H](C)CC(N)=O ZINC000161363505 378841491 /nfs/dbraw/zinc/84/14/91/378841491.db2.gz WHXBZOLHGYQJBW-RKDXNWHRSA-N 1 0 283.441 2.664 20 70 CFIDRO CC[C@@H]([NH2+]CCOCCO)c1cccc(Cl)c1F ZINC000161507697 378853048 /nfs/dbraw/zinc/85/30/48/378853048.db2.gz HHGJSCUGIPNISF-GFCCVEGCSA-N 1 0 275.751 2.529 20 70 CFIDRO C[C@H](C[NH2+][C@H](C)[C@@H]1CCOC1)COCc1ccccc1 ZINC000161297255 378837008 /nfs/dbraw/zinc/83/70/08/378837008.db2.gz ZRWNNBXTZCHYAY-BFYDXBDKSA-N 1 0 277.408 2.854 20 70 CFIDRO CC[C@@H](COC)[NH2+]C[C@H](C)COCc1ccccc1 ZINC000161310651 378837508 /nfs/dbraw/zinc/83/75/08/378837508.db2.gz OBMARFSISPPUMQ-HOCLYGCPSA-N 1 0 265.397 2.854 20 70 CFIDRO CC[C@@H](C)[N@H+](C)CCNCc1cnn(-c2ccccc2)c1 ZINC000217399051 382786570 /nfs/dbraw/zinc/78/65/70/382786570.db2.gz SCPGOFBAWNDFIN-OAHLLOKOSA-N 1 0 286.423 2.692 20 70 CFIDRO COCc1cccc(N[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000217985013 382788277 /nfs/dbraw/zinc/78/82/77/382788277.db2.gz JNSDSQBYPIUHND-WOSRLPQWSA-N 1 0 262.397 2.974 20 70 CFIDRO c1cc2cccc(C[NH2+]CCCOC[C@@H]3CCCO3)c2[nH]1 ZINC000218081711 382788777 /nfs/dbraw/zinc/78/87/77/382788777.db2.gz GTEOVVMOIVIUMI-INIZCTEOSA-N 1 0 288.391 2.843 20 70 CFIDRO C[C@@H]([NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCCO1 ZINC000218065771 382789015 /nfs/dbraw/zinc/78/90/15/382789015.db2.gz HGOXCGRYVNMLKF-RDBSUJKOSA-N 1 0 298.427 2.543 20 70 CFIDRO C[C@@H]([NH2+]CCCNC(=O)OC(C)(C)C)c1cscn1 ZINC000218241290 382790109 /nfs/dbraw/zinc/79/01/09/382790109.db2.gz AGXOOHAOUOQSQM-SNVBAGLBSA-N 1 0 285.413 2.709 20 70 CFIDRO Cc1cccc(OCC[N@@H+](C)C[C@@H](O)Cc2ccccc2)c1 ZINC000218763797 393758466 /nfs/dbraw/zinc/75/84/66/393758466.db2.gz NFFRCLXXYQUTLR-SFHVURJKSA-N 1 0 299.414 2.909 20 70 CFIDRO Cc1ccc(OCC[N@@H+](C)C[C@@H](O)Cc2ccccc2)cc1 ZINC000218763292 393758583 /nfs/dbraw/zinc/75/85/83/393758583.db2.gz YFDPYQCUICPBTQ-SFHVURJKSA-N 1 0 299.414 2.909 20 70 CFIDRO C[C@H]1C[C@@H]([NH2+]CCO)c2cccc(Br)c21 ZINC000159707141 394365556 /nfs/dbraw/zinc/36/55/56/394365556.db2.gz QTXGXCJEDOVNNH-GZMMTYOYSA-N 1 0 270.170 2.579 20 70 CFIDRO CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[N@H+](CC)CC1 ZINC000159683731 394365730 /nfs/dbraw/zinc/36/57/30/394365730.db2.gz AZYBOBZZGIEEOF-CABCVRRESA-N 1 0 281.444 2.692 20 70 CFIDRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCC2(CCC2)C1 ZINC000160812873 394366820 /nfs/dbraw/zinc/36/68/20/394366820.db2.gz KLLMYVLPETZZCU-AWEZNQCLSA-N 1 0 281.444 2.548 20 70 CFIDRO CCCC[C@@H](COC)[NH2+]C[C@H]1CCCCN1CC ZINC000161191558 394367129 /nfs/dbraw/zinc/36/71/29/394367129.db2.gz OQSMVPSYARJZIQ-LSDHHAIUSA-N 1 0 256.434 2.656 20 70 CFIDRO CC(C)C[NH2+][C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000218116057 397620917 /nfs/dbraw/zinc/62/09/17/397620917.db2.gz WALHBIAKKVYUBB-GFCCVEGCSA-N 1 0 256.390 2.535 20 70 CFIDRO CSC[C@H](CCO)[NH2+][C@@H]1c2ccccc2C[C@H]1C ZINC000160236607 286681655 /nfs/dbraw/zinc/68/16/55/286681655.db2.gz BYYRBPVKTXEXHP-ZLDLUXBVSA-N 1 0 265.422 2.624 20 70 CFIDRO CS[C@H](C)CC(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000161378052 286711528 /nfs/dbraw/zinc/71/15/28/286711528.db2.gz HLDNGRBEEZUZJQ-HIFRSBDPSA-N 1 0 294.464 2.856 20 70 CFIDRO CC(C)([NH3+])C(=O)NCC(C)(C)CCCc1ccccc1 ZINC000160121853 264238900 /nfs/dbraw/zinc/23/89/00/264238900.db2.gz MVYVOPNNJLIOQP-UHFFFAOYSA-N 1 0 276.424 2.889 20 70 CFIDRO COc1ccc2c(c1)C[C@H]([NH2+]Cc1ccoc1)CC2 ZINC000159553468 274127871 /nfs/dbraw/zinc/12/78/71/274127871.db2.gz IDUBTNLLGUGBAI-OAHLLOKOSA-N 1 0 257.333 2.935 20 70 CFIDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)c1nc2cc(F)ccc2o1 ZINC000160426129 274334815 /nfs/dbraw/zinc/33/48/15/274334815.db2.gz HUGDUHCZGZGNIQ-MFKMUULPSA-N 1 0 277.343 2.743 20 70 CFIDRO C[C@]1(C(=O)N2CC3(CCCC3)c3ccccc32)CC[NH2+]C1 ZINC000159367859 274648448 /nfs/dbraw/zinc/64/84/48/274648448.db2.gz JABZDEUHCKNFFW-KRWDZBQOSA-N 1 0 284.403 2.845 20 70 CFIDRO CC(=O)NC1CCC([NH2+]CC[C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000161369932 275477397 /nfs/dbraw/zinc/47/73/97/275477397.db2.gz MKRDAUCISFWAAX-DLXPNOHRSA-N 1 0 278.440 2.850 20 70 CFIDRO CC1(C)Cc2occc2[C@@H]([NH2+]CCCN2CCCC2=O)C1 ZINC000159502078 275874609 /nfs/dbraw/zinc/87/46/09/275874609.db2.gz VXXPZROGVPQBPH-AWEZNQCLSA-N 1 0 290.407 2.895 20 70 CFIDRO CC(C)[C@H]([NH3+])C(=O)N1CCCC2(CCCCC2)C1 ZINC000159859245 277902923 /nfs/dbraw/zinc/90/29/23/277902923.db2.gz AFPSGWILHLVYDO-ZDUSSCGKSA-N 1 0 252.402 2.543 20 70 CFIDRO C[C@H](Sc1ccccc1Cl)C(=O)N1CCC[C@H]1C[NH3+] ZINC000160351885 278303282 /nfs/dbraw/zinc/30/32/82/278303282.db2.gz ZHAVJDFJUGCRCE-QWRGUYRKSA-N 1 0 298.839 2.770 20 70 CFIDRO CC(C)CC[C@@H](NC(=O)[C@@H]1CCC[NH2+]C1)C(C)(C)C ZINC000160072540 278784513 /nfs/dbraw/zinc/78/45/13/278784513.db2.gz QPLYHBOLTODAFA-ZIAGYGMSSA-N 1 0 268.445 2.953 20 70 CFIDRO C[C@H]([NH2+]Cc1ccc(CN2CCOCC2)cc1)C1(C)CC1 ZINC000160621658 279491036 /nfs/dbraw/zinc/49/10/36/279491036.db2.gz QIZYYWMDGHPMER-HNNXBMFYSA-N 1 0 288.435 2.797 20 70 CFIDRO C[C@H]1C[C@@H]([NH2+]CCc2ncn(C)n2)c2ccsc2S1 ZINC000217003362 279967331 /nfs/dbraw/zinc/96/73/31/279967331.db2.gz IXDMWHYLHLLUHK-GXSJLCMTSA-N 1 0 294.449 2.634 20 70 CFIDRO [NH3+]C[C@@H]1CCCN(C(=O)/C=C\c2ccc(Cl)cc2)C1 ZINC000217533610 280931796 /nfs/dbraw/zinc/93/17/96/280931796.db2.gz QBGORAJWHRNAOF-UJZCVKTISA-N 1 0 278.783 2.551 20 70 CFIDRO COC[C@H](Cc1ccccc1)[NH2+][C@H](CCO)c1ccccc1 ZINC000161027838 293115581 /nfs/dbraw/zinc/11/55/81/293115581.db2.gz WXTSOAKELPQGMU-RBUKOAKNSA-N 1 0 299.414 2.957 20 70 CFIDRO COc1ccc2c(c1)[C@@H]([NH2+]C1CCN(C)CC1)CCCO2 ZINC000161425907 295270749 /nfs/dbraw/zinc/27/07/49/295270749.db2.gz MXAMYTHVVDNTJU-INIZCTEOSA-N 1 0 290.407 2.593 20 70 CFIDRO CSC[C@H](CCO)[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000160172287 295623522 /nfs/dbraw/zinc/62/35/22/295623522.db2.gz RXIOINMBNDAGNL-JKSUJKDBSA-N 1 0 279.449 2.711 20 70 CFIDRO C[C@H](Cc1ccc(O)cc1)[NH2+]CC1(N(C)C)CCCC1 ZINC000160673676 298913735 /nfs/dbraw/zinc/91/37/35/298913735.db2.gz WESPCSLFQNHIOG-CQSZACIVSA-N 1 0 276.424 2.787 20 70 CFIDRO Cc1cc(C)c2c(c1)[C@H]([NH2+]CC(C)(C)O)CCCO2 ZINC000160640648 301211448 /nfs/dbraw/zinc/21/14/48/301211448.db2.gz UFLYKAYNPWMMTR-CQSZACIVSA-N 1 0 263.381 2.878 20 70 CFIDRO [NH3+]CCCCCCC(=O)N(C[C@H]1CCCO1)C1CCCC1 ZINC000161218495 303374746 /nfs/dbraw/zinc/37/47/46/303374746.db2.gz UEVTXBZHGFFEOD-MRXNPFEDSA-N 1 0 296.455 2.846 20 70 CFIDRO C[C@H](N[C@@H](C(N)=O)c1ccccc1)c1cccc(F)c1F ZINC000159469170 322322710 /nfs/dbraw/zinc/32/27/10/322322710.db2.gz WARAQALRVKPGON-ZUZCIYMTSA-N 1 0 290.313 2.842 20 70 CFIDRO CC[C@@H](OC1CCCCC1)C(=O)NC[C@@H]1CCC[N@@H+]1CC ZINC000159578570 322324450 /nfs/dbraw/zinc/32/44/50/322324450.db2.gz MEZQOEXTHCUHFE-GOEBONIOSA-N 1 0 296.455 2.715 20 70 CFIDRO CC[C@H](OC1CCCCC1)C(=O)NC[C@H]1CCC[N@@H+]1CC ZINC000159578709 322324796 /nfs/dbraw/zinc/32/47/96/322324796.db2.gz MEZQOEXTHCUHFE-ZBFHGGJFSA-N 1 0 296.455 2.715 20 70 CFIDRO C[NH+](C)[C@H](CNC(=O)C1=CCCC1)c1cccc(F)c1 ZINC000159641732 322325551 /nfs/dbraw/zinc/32/55/51/322325551.db2.gz JKBKNKFSHQGVEB-OAHLLOKOSA-N 1 0 276.355 2.655 20 70 CFIDRO C[NH+](C)[C@@H](CNC(=O)C1=CCCC1)c1cccc(F)c1 ZINC000159641603 322325607 /nfs/dbraw/zinc/32/56/07/322325607.db2.gz JKBKNKFSHQGVEB-HNNXBMFYSA-N 1 0 276.355 2.655 20 70 CFIDRO CCC(CC)(C[NH2+]CCOc1ccccc1F)C(=O)OC ZINC000159683534 322326745 /nfs/dbraw/zinc/32/67/45/322326745.db2.gz XLJJCYNICIZIMH-UHFFFAOYSA-N 1 0 297.370 2.774 20 70 CFIDRO Cc1cnc([C@H]([NH2+]CCC(C)(C)O)C2CC2)s1 ZINC000159703771 322326981 /nfs/dbraw/zinc/32/69/81/322326981.db2.gz MOTGSRVODBYYTN-LLVKDONJSA-N 1 0 254.399 2.653 20 70 CFIDRO CCN(CC)C(=O)C[C@@H](C)[NH2+]CCCc1cccc(F)c1 ZINC000159799494 322328620 /nfs/dbraw/zinc/32/86/20/322328620.db2.gz PVNAPERDNPZCRU-CQSZACIVSA-N 1 0 294.414 2.995 20 70 CFIDRO Cc1cc(C)c(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)[nH]1 ZINC000159844420 322329450 /nfs/dbraw/zinc/32/94/50/322329450.db2.gz AXHTXJBSHSGPKN-OAHLLOKOSA-N 1 0 285.391 2.664 20 70 CFIDRO CCCC(=O)Nc1cccc(C[NH2+][C@@H](C)[C@H]2CCOC2)c1 ZINC000159881321 322329853 /nfs/dbraw/zinc/32/98/53/322329853.db2.gz KMVIRKGRHDDRFQ-ZFWWWQNUSA-N 1 0 290.407 2.940 20 70 CFIDRO CC(=O)NCCC[NH2+]C/C(C)=C/c1ccc(Cl)cc1 ZINC000159922640 322330674 /nfs/dbraw/zinc/33/06/74/322330674.db2.gz NTFULIXZLXYMAL-ZRDIBKRKSA-N 1 0 280.799 2.859 20 70 CFIDRO CC(C)C(=O)NCCC[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000159974474 322330998 /nfs/dbraw/zinc/33/09/98/322330998.db2.gz DQAACQYLCNAZGC-NSHDSACASA-N 1 0 284.350 2.778 20 70 CFIDRO CC(C)C(=O)NCCC[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000159976375 322331063 /nfs/dbraw/zinc/33/10/63/322331063.db2.gz RRFMWIUQNUHCMA-HNNXBMFYSA-N 1 0 278.371 2.565 20 70 CFIDRO CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)[C@H](C)[NH3+] ZINC000160078143 322332535 /nfs/dbraw/zinc/33/25/35/322332535.db2.gz ATIKFGGYBGUORR-GWCFXTLKSA-N 1 0 268.788 2.843 20 70 CFIDRO CC[C@H](COC)[NH2+]C[C@H](CC)Oc1ccccc1F ZINC000160334846 322336292 /nfs/dbraw/zinc/33/62/92/322336292.db2.gz WFGJNLSADLUECE-OLZOCXBDSA-N 1 0 269.360 2.998 20 70 CFIDRO CCc1ncc(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)s1 ZINC000160405351 322337543 /nfs/dbraw/zinc/33/75/43/322337543.db2.gz NDGATVGAEWUAFD-GFCCVEGCSA-N 1 0 295.452 2.556 20 70 CFIDRO CC(C)S(=O)(=O)CCC[N@H+](C)C1CCCCCC1 ZINC000160611764 322340547 /nfs/dbraw/zinc/34/05/47/322340547.db2.gz RBKSXOPNISMHJM-UHFFFAOYSA-N 1 0 275.458 2.854 20 70 CFIDRO CC(C)S(=O)(=O)CCC[N@H+](C)[C@@H]1CCCC[C@H]1C ZINC000160756407 322342292 /nfs/dbraw/zinc/34/22/92/322342292.db2.gz WCHGHBCJHXZRRT-ZIAGYGMSSA-N 1 0 275.458 2.710 20 70 CFIDRO CC(C)S(=O)(=O)CCC[N@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000160795355 322342746 /nfs/dbraw/zinc/34/27/46/322342746.db2.gz JWLSDGDIUFPGND-ZIAGYGMSSA-N 1 0 275.458 2.710 20 70 CFIDRO CCN(C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)C1CCCC1 ZINC000160820036 322343359 /nfs/dbraw/zinc/34/33/59/322343359.db2.gz MKZCKFUUCLKPAA-CQSZACIVSA-N 1 0 293.455 2.977 20 70 CFIDRO Cc1ccc(C(=O)CC[N@H+]2CCC[C@@H]([C@@H](C)O)C2)cc1 ZINC000160934197 322345518 /nfs/dbraw/zinc/34/55/18/322345518.db2.gz HNVIHCQVDGLBDD-GDBMZVCRSA-N 1 0 275.392 2.661 20 70 CFIDRO CCn1cc([C@H](C)[NH2+]CCc2ccc3c(c2)OCO3)cn1 ZINC000161110598 322347703 /nfs/dbraw/zinc/34/77/03/322347703.db2.gz UJZYTEWQTULTEH-LBPRGKRZSA-N 1 0 287.363 2.525 20 70 CFIDRO CCOc1cccc([C@@H](C)[NH2+]Cc2cn(C)nc2C)c1 ZINC000161302648 322349942 /nfs/dbraw/zinc/34/99/42/322349942.db2.gz QAYRWKOPYVZMRN-GFCCVEGCSA-N 1 0 273.380 2.978 20 70 CFIDRO CC(C)(NC(=O)C[C@H]1CCC[NH2+]1)c1cccc(Cl)c1 ZINC000159647970 519305858 /nfs/dbraw/zinc/30/58/58/519305858.db2.gz WWXHCTYOLMKJMJ-CYBMUJFWSA-N 1 0 280.799 2.833 20 70 CFIDRO CC(=O)NC1CCC([NH2+]CC[C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000161369805 519645033 /nfs/dbraw/zinc/64/50/33/519645033.db2.gz MKRDAUCISFWAAX-HQOAGVKLSA-N 1 0 278.440 2.850 20 70 CFIDRO CC(C)[NH+](CCS[C@@H]1CCCCNC1=O)C(C)C ZINC000161036858 519650853 /nfs/dbraw/zinc/65/08/53/519650853.db2.gz GFBWECPHZMVWID-CYBMUJFWSA-N 1 0 272.458 2.507 20 70 CFIDRO CC(C)CC[C@](C)(O)C[NH2+][C@@H](C)C1CCOCC1 ZINC000159443951 519696090 /nfs/dbraw/zinc/69/60/90/519696090.db2.gz VIWLMNSOTCAGFX-ZFWWWQNUSA-N 1 0 257.418 2.578 20 70 CFIDRO CC(C)c1ccc(CC2CC[NH+](CC(N)=O)CC2)cc1 ZINC000159950595 519835485 /nfs/dbraw/zinc/83/54/85/519835485.db2.gz OYDKPUSSNXCGET-UHFFFAOYSA-N 1 0 274.408 2.550 20 70 CFIDRO CCCNC(=O)[C@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC000159875313 519896107 /nfs/dbraw/zinc/89/61/07/519896107.db2.gz ZJXUMYHREAKWPM-HNNXBMFYSA-N 1 0 266.429 2.805 20 70 CFIDRO CC(C)c1noc(CCC[NH2+][C@H](C)C2(C)CC2)n1 ZINC000160813594 519902262 /nfs/dbraw/zinc/90/22/62/519902262.db2.gz IGLRBFYWMKVGDR-LLVKDONJSA-N 1 0 251.374 2.904 20 70 CFIDRO CC(C)n1cc([C@@H](C)[NH2+]C[C@H]2CCCC[C@@H]2O)cn1 ZINC000160621845 519976672 /nfs/dbraw/zinc/97/66/72/519976672.db2.gz WLCGBAWUJVQHCL-NFAWXSAZSA-N 1 0 265.401 2.666 20 70 CFIDRO CC[NH+](CC)CCNC(=O)NCCc1ccc(Cl)cc1 ZINC000217308547 520674180 /nfs/dbraw/zinc/67/41/80/520674180.db2.gz NYVWNKNTEPXQJZ-UHFFFAOYSA-N 1 0 297.830 2.524 20 70 CFIDRO COc1c(C[NH2+]Cc2cccc3[nH]ccc32)c(C)nn1C ZINC000160160621 521834101 /nfs/dbraw/zinc/83/41/01/521834101.db2.gz RTVWMNZZNQZGAA-UHFFFAOYSA-N 1 0 284.363 2.508 20 70 CFIDRO COC[C@@H]([NH2+]C[C@@H](C)COCc1ccccc1)C1CC1 ZINC000161316352 522353480 /nfs/dbraw/zinc/35/34/80/522353480.db2.gz UXMNLZOTNJQMQX-RHSMWYFYSA-N 1 0 277.408 2.854 20 70 CFIDRO COc1cc(C[NH2+]Cc2cccc3cc[nH]c32)ccn1 ZINC000218099624 522468027 /nfs/dbraw/zinc/46/80/27/522468027.db2.gz ZBDGEOYZDAMKBQ-UHFFFAOYSA-N 1 0 267.332 2.861 20 70 CFIDRO CC[C@H]([NH2+]C[C@H]1CC(=O)Nc2ccccc21)c1cnn(C)c1 ZINC000160536786 522632460 /nfs/dbraw/zinc/63/24/60/522632460.db2.gz FUEFRTSBQYOLSP-DOMZBBRYSA-N 1 0 298.390 2.587 20 70 CFIDRO COC[C@H]([NH2+]C[C@H](C1CCCCC1)N(C)C)C1CC1 ZINC000160426117 522745441 /nfs/dbraw/zinc/74/54/41/522745441.db2.gz GPHQPJHSMCMTJM-JKSUJKDBSA-N 1 0 268.445 2.512 20 70 CFIDRO COC[C@H]([NH2+][C@H](CCCO)c1ccccc1)C1CC1 ZINC000160916565 522767946 /nfs/dbraw/zinc/76/79/46/522767946.db2.gz SBGSJQOSERMLAM-CVEARBPZSA-N 1 0 263.381 2.515 20 70 CFIDRO CC[C@@H]([NH2+]C[C@@H]1CN(C2CC2)CCO1)c1ccc(F)cc1 ZINC000160912992 522856939 /nfs/dbraw/zinc/85/69/39/522856939.db2.gz UUZPEEXCRLNKCW-IAGOWNOFSA-N 1 0 292.398 2.730 20 70 CFIDRO CCn1cc([C@@H](C)[NH2+]C[C@@H]2CC(=O)Nc3ccccc32)cn1 ZINC000160645323 523454236 /nfs/dbraw/zinc/45/42/36/523454236.db2.gz GEYKXRFYRQYNKH-OLZOCXBDSA-N 1 0 298.390 2.680 20 70 CFIDRO CCc1ccc(CN[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000217646008 523947190 /nfs/dbraw/zinc/94/71/90/523947190.db2.gz ZXEXMQCXIRROAI-IRXDYDNUSA-N 1 0 258.409 2.965 20 70 CFIDRO Cc1ccc(C)c([C@H](C)[NH2+]CCNC(=O)c2ccco2)c1 ZINC000160712351 524210058 /nfs/dbraw/zinc/21/00/58/524210058.db2.gz SYVZSYZYCGUMBI-AWEZNQCLSA-N 1 0 286.375 2.977 20 70 CFIDRO C[C@H](CCn1cccn1)[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000159495383 524268530 /nfs/dbraw/zinc/26/85/30/524268530.db2.gz KMHHXOUACPNYHM-CHWSQXEVSA-N 1 0 265.401 2.597 20 70 CFIDRO COc1ccccc1-c1nnc(C[N@H+](C)[C@@H](C)C2CC2)o1 ZINC000159652974 524286136 /nfs/dbraw/zinc/28/61/36/524286136.db2.gz LURGHBPWFSSSGB-NSHDSACASA-N 1 0 287.363 2.976 20 70 CFIDRO C[C@H]1CC[C@@H](CC(=O)N2CCC([NH2+]CC3CC3)CC2)C1 ZINC000159827028 524344275 /nfs/dbraw/zinc/34/42/75/524344275.db2.gz RTFZOLJOBDJJTO-DZGCQCFKSA-N 1 0 278.440 2.803 20 70 CFIDRO C[C@@H](CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1cccc(F)c1 ZINC000160615985 524362668 /nfs/dbraw/zinc/36/26/68/524362668.db2.gz WOGCFBALXCWOSV-VBNZEHGJSA-N 1 0 290.382 2.672 20 70 CFIDRO Cc1ccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)cc1 ZINC000161406845 524449410 /nfs/dbraw/zinc/44/94/10/524449410.db2.gz UZRBWCNFZGRNCR-MRXNPFEDSA-N 1 0 296.418 2.912 20 70 CFIDRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cccc(Cl)c1F ZINC000159675330 524568810 /nfs/dbraw/zinc/56/88/10/524568810.db2.gz NDXKTWWISKPUCK-MWLCHTKSSA-N 1 0 284.762 2.565 20 70 CFIDRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cc(Cl)ccc1F ZINC000159635502 524646851 /nfs/dbraw/zinc/64/68/51/524646851.db2.gz OZAAAZNOKWOQSL-ZJUUUORDSA-N 1 0 284.762 2.565 20 70 CFIDRO C[C@@H](CNC(=O)N1CCC2(CCC2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000160268995 524664092 /nfs/dbraw/zinc/66/40/92/524664092.db2.gz XDAJIIAQWNZBCC-CABCVRRESA-N 1 0 293.455 2.692 20 70 CFIDRO C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CCCN1CCCC1=O ZINC000159590220 524983895 /nfs/dbraw/zinc/98/38/95/524983895.db2.gz DPPWIWQERBZFTL-SJCJKPOMSA-N 1 0 290.382 2.661 20 70 CFIDRO COc1ccc([C@@H](C)[NH2+]CC2(CO)CCCC2)cc1OC ZINC000160085375 525145908 /nfs/dbraw/zinc/14/59/08/525145908.db2.gz MROLHIGEPCXAMG-CYBMUJFWSA-N 1 0 293.407 2.907 20 70 CFIDRO COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H](CCO)CSC)cc1 ZINC000160306334 525342595 /nfs/dbraw/zinc/34/25/95/525342595.db2.gz YMEOILKLOHYRDS-IPYPFGDCSA-N 1 0 297.464 2.891 20 70 CFIDRO C[C@@H]([NH2+]C[C@H](C)N(C)Cc1ccccc1)C1CCOCC1 ZINC000160897752 525490810 /nfs/dbraw/zinc/49/08/10/525490810.db2.gz ZIXBUTVWHRCOLC-JKSUJKDBSA-N 1 0 290.451 2.912 20 70 CFIDRO C[C@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1cncs1 ZINC000161048616 525560769 /nfs/dbraw/zinc/56/07/69/525560769.db2.gz KTZRRMJAVHPDAS-TUAOUCFPSA-N 1 0 253.415 2.667 20 70 CFIDRO CSC[C@@H](CCO)[NH2+][C@H](CC(C)C)c1ccccn1 ZINC000160174681 525641299 /nfs/dbraw/zinc/64/12/99/525641299.db2.gz FNIWMZPUYDTAGX-UKRRQHHQSA-N 1 0 282.453 2.872 20 70 CFIDRO Cc1c2cc(C)ccc2[nH]c1C(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000159917682 525944573 /nfs/dbraw/zinc/94/45/73/525944573.db2.gz BHFXCWKVZDBGFI-CQSZACIVSA-N 1 0 299.418 2.951 20 70 CFIDRO CSc1ccc(Cl)c(C(=O)N(C)[C@@H](C[NH3+])C2CC2)c1 ZINC000159867290 526011826 /nfs/dbraw/zinc/01/18/26/526011826.db2.gz SUNFLRZCZJHNEH-ZDUSSCGKSA-N 1 0 298.839 2.871 20 70 CFIDRO c1cc(CN2CCC([NH2+][C@@H]3CCCSC3)CC2)ccn1 ZINC000159541384 526422926 /nfs/dbraw/zinc/42/29/26/526422926.db2.gz WAQXGEGXTDZXQU-MRXNPFEDSA-N 1 0 291.464 2.531 20 70 CFIDRO O=C(c1cc2c(s1)CCCC2)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160558608 526634394 /nfs/dbraw/zinc/63/43/94/526634394.db2.gz YFYCNQIQHSVUBB-BETUJISGSA-N 1 0 290.432 2.593 20 70 CFIDRO NC(=O)C1CCC([NH2+]Cc2ccc(Cl)cc2F)CC1 ZINC000160762552 526855525 /nfs/dbraw/zinc/85/55/25/526855525.db2.gz BMDRTWCDWSNSHV-UHFFFAOYSA-N 1 0 284.762 2.613 20 70 CFIDRO O=C1C[C@H](C[NH2+]C(C2CC2)C2CC2)c2ccccc2N1 ZINC000160569424 527027594 /nfs/dbraw/zinc/02/75/94/527027594.db2.gz IVAVFKRJLKAVSY-CYBMUJFWSA-N 1 0 270.376 2.891 20 70 CFIDRO NC(=O)c1ccc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)cc1 ZINC000159603783 527046657 /nfs/dbraw/zinc/04/66/57/527046657.db2.gz AFMSZPTWXSPMPR-ZFWWWQNUSA-N 1 0 258.365 2.550 20 70 CFIDRO OC1(C[NH2+]Cc2cccc3cc[nH]c32)CCCCC1 ZINC000218171789 527508605 /nfs/dbraw/zinc/50/86/05/527508605.db2.gz BARBFKMAQPPKSY-UHFFFAOYSA-N 1 0 258.365 2.953 20 70 CFIDRO OCC1(C[NH2+]Cc2ccccc2OC(F)F)CCCC1 ZINC000160095309 527524547 /nfs/dbraw/zinc/52/45/47/527524547.db2.gz VIFGLTBIVHFSAW-UHFFFAOYSA-N 1 0 285.334 2.930 20 70 CFIDRO CC(C)C1(CNC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000160819136 527610889 /nfs/dbraw/zinc/61/08/89/527610889.db2.gz PYSFQGYUXARZOU-KGLIPLIRSA-N 1 0 266.429 2.837 20 70 CFIDRO FC(F)(F)c1nnc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000160343148 527691131 /nfs/dbraw/zinc/69/11/31/527691131.db2.gz WNIAFHPCCMQTBM-SFYZADRCSA-N 1 0 292.330 2.596 20 70 CFIDRO CCCCS[C@H](C)C(=O)NCC1([NH3+])CCCCC1 ZINC000159536542 528743241 /nfs/dbraw/zinc/74/32/41/528743241.db2.gz ISCVKBUETKCFMJ-GFCCVEGCSA-N 1 0 272.458 2.686 20 70 CFIDRO CC(C)N(CC[NH+](C)C)C(=O)N[C@H]1CCCC1(C)C ZINC000159486684 528898634 /nfs/dbraw/zinc/89/86/34/528898634.db2.gz GYTOWGXIEZNZEK-ZDUSSCGKSA-N 1 0 269.433 2.547 20 70 CFIDRO CC(C)[N@H+](CCc1nccs1)C[C@H]1CCCCO1 ZINC000159787788 528916876 /nfs/dbraw/zinc/91/68/76/528916876.db2.gz SBULKHSFMJGETL-CYBMUJFWSA-N 1 0 268.426 2.965 20 70 CFIDRO CCCCc1ccc([C@H](C)[NH2+][C@H](C)CC(N)=O)cc1 ZINC000161359515 529028578 /nfs/dbraw/zinc/02/85/78/529028578.db2.gz JRHKFPYIDJDOMM-OLZOCXBDSA-N 1 0 262.397 2.944 20 70 CFIDRO CC[C@@H](C)C[C@H](C)NC(=O)N1CCC[N@H+](CC)CC1 ZINC000159920192 529336058 /nfs/dbraw/zinc/33/60/58/529336058.db2.gz YATOMHLFGCRKBE-KGLIPLIRSA-N 1 0 269.433 2.548 20 70 CFIDRO CC[C@H](C)N(C)CC[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000160122424 529690488 /nfs/dbraw/zinc/69/04/88/529690488.db2.gz QBGTYKBDCBQRHM-PJSUUKDQSA-N 1 0 296.480 2.805 20 70 CFIDRO CCc1ccc([C@H](C)C(=O)N2CCC[C@H]2C[NH2+]C)cc1 ZINC000161230830 529718912 /nfs/dbraw/zinc/71/89/12/529718912.db2.gz JQONZDOUVSYJIG-BBRMVZONSA-N 1 0 274.408 2.563 20 70 CFIDRO c1coc(C[N@H+](CCOCC2CC2)C[C@H]2CCCO2)c1 ZINC000159584005 232244452 /nfs/dbraw/zinc/24/44/52/232244452.db2.gz JLNDAQAYPWRTRH-MRXNPFEDSA-N 1 0 279.380 2.687 20 70 CFIDRO CC(C)(C)CCC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000159394193 348012360 /nfs/dbraw/zinc/01/23/60/348012360.db2.gz SRIBHVFBKUMETP-CQSZACIVSA-N 1 0 266.429 2.900 20 70 CFIDRO Cc1ccsc1CNC(=O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000159728015 348014538 /nfs/dbraw/zinc/01/45/38/348014538.db2.gz POLRMVDAMOZQTN-KBPBESRZSA-N 1 0 292.448 2.937 20 70 CFIDRO Cc1cccc([C@H](C)C(=O)NCC[NH+]2CCC(C)CC2)c1 ZINC000159878790 348015155 /nfs/dbraw/zinc/01/51/55/348015155.db2.gz WVHBBYKJPHXVCA-INIZCTEOSA-N 1 0 288.435 2.947 20 70 CFIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2ccc(Cl)cc2Cl)C1 ZINC000161178888 539782348 /nfs/dbraw/zinc/78/23/48/539782348.db2.gz RSCGTRCJDMUGRD-NXEZZACHSA-N 1 0 287.190 2.993 20 70 CFIDRO O=C1CCCN1CCC[NH2+][C@@H]1CCSc2ccccc21 ZINC000159494440 188428793 /nfs/dbraw/zinc/42/87/93/188428793.db2.gz GULBMFDOAAGKDP-CQSZACIVSA-N 1 0 290.432 2.826 20 70 CFIDRO CCCOc1ccc([C@H](C)[NH2+]CCO)c(OCCC)c1 ZINC000159705235 188438351 /nfs/dbraw/zinc/43/83/51/188438351.db2.gz SNZSCEMLDAPUME-ZDUSSCGKSA-N 1 0 281.396 2.907 20 70 CFIDRO CCC([NH3+])(CC)CNC(=O)CCc1ccc(Cl)s1 ZINC000160456582 188473399 /nfs/dbraw/zinc/47/33/99/188473399.db2.gz FAIZHFNWHMGSFF-UHFFFAOYSA-N 1 0 288.844 2.968 20 70 CFIDRO COc1cc([C@@H](C)[NH2+]CC(C)(C)O)ccc1SC ZINC000160636889 188484806 /nfs/dbraw/zinc/48/48/06/188484806.db2.gz MVEDGASFRCYSEX-SNVBAGLBSA-N 1 0 269.410 2.839 20 70 CFIDRO CC(C)NC(=O)C[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000160927505 188499127 /nfs/dbraw/zinc/49/91/27/188499127.db2.gz SKSJPBIYJFXLPK-CYBMUJFWSA-N 1 0 296.798 2.668 20 70 CFIDRO C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000159799527 540663087 /nfs/dbraw/zinc/66/30/87/540663087.db2.gz BLMRXYJIVDZQKJ-YUDUHTQSSA-N 1 0 290.382 2.658 20 70 CFIDRO Cc1ccc([C@H](C)CNC(=O)c2ccc(C[NH3+])o2)cc1 ZINC000159658786 540660483 /nfs/dbraw/zinc/66/04/83/540660483.db2.gz HMALMTQAAKHSDU-GFCCVEGCSA-N 1 0 272.348 2.580 20 70 CFIDRO CCCn1nccc1CNC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000159985061 540666125 /nfs/dbraw/zinc/66/61/25/540666125.db2.gz FIDFDTTXFNCWTG-UHFFFAOYSA-N 1 0 278.444 2.692 20 70 CFIDRO CC[C@H]1c2ccccc2CCN1C(=O)CC[NH2+]C(C)C ZINC000160132885 540669320 /nfs/dbraw/zinc/66/93/20/540669320.db2.gz GVRPGFQEAJMVMS-INIZCTEOSA-N 1 0 274.408 2.911 20 70 CFIDRO Cc1ccc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1Cl ZINC000161111689 540688615 /nfs/dbraw/zinc/68/86/15/540688615.db2.gz ZLVWFBMFZTXROY-NWDGAFQWSA-N 1 0 266.772 2.648 20 70 CFIDRO Cc1cccc(OCCCC(=O)N[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000161175127 540690124 /nfs/dbraw/zinc/69/01/24/540690124.db2.gz SSJLMYJSRKAMFP-GJZGRUSLSA-N 1 0 290.407 2.540 20 70 CFIDRO O=C(NC[C@H]1CCC[NH2+]C1)c1cc2ccc(F)cc2s1 ZINC000161198578 540690366 /nfs/dbraw/zinc/69/03/66/540690366.db2.gz LPEHPUSLGNBXSO-JTQLQIEISA-N 1 0 292.379 2.770 20 70 CFIDRO C[C@@H]1CCc2sc(C(=O)N[C@H]3CCC[C@H]([NH3+])C3)cc2C1 ZINC000161148447 540689186 /nfs/dbraw/zinc/68/91/86/540689186.db2.gz UFANSCDNUUDVEP-WXHSDQCUSA-N 1 0 292.448 2.873 20 70 CFIDRO [NH3+]Cc1ccc(C(=O)N(Cc2ccccc2)CC(F)F)o1 ZINC000161484057 540694144 /nfs/dbraw/zinc/69/41/44/540694144.db2.gz FFAUVTGFYWZWEL-UHFFFAOYSA-N 1 0 294.301 2.646 20 70 CFIDRO C[C@H]1[C@H](c2ccccc2)CCN1C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000161417599 540693370 /nfs/dbraw/zinc/69/33/70/540693370.db2.gz JZSXRUXOLWWOGM-XZDPQHSOSA-N 1 0 272.392 2.518 20 70 CFIDRO C[NH2+]C[C@H]1CCCN1C(=O)[C@H](C)Sc1ccc(C)cc1 ZINC000161305273 283598876 /nfs/dbraw/zinc/59/88/76/283598876.db2.gz JXGRJSGMOBKKCS-UONOGXRCSA-N 1 0 292.448 2.686 20 70 CFIDRO C[N@H+](CCOC1CCCCCC1)C[C@H]1CCC[C@@H]1O ZINC000159645421 541005105 /nfs/dbraw/zinc/00/51/05/541005105.db2.gz CNNICMNNKHDHOL-ZBFHGGJFSA-N 1 0 269.429 2.819 20 70 CFIDRO CCCC[N@H+](C)CCNC(=O)Nc1ccnc(C)c1Cl ZINC000159740876 541011457 /nfs/dbraw/zinc/01/14/57/541011457.db2.gz UQVHREJSDNATDC-UHFFFAOYSA-N 1 0 298.818 2.897 20 70 CFIDRO CCn1nccc1C[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000159977105 541019473 /nfs/dbraw/zinc/01/94/73/541019473.db2.gz NDFJZSILXOHXQW-KRWDZBQOSA-N 1 0 298.434 2.657 20 70 CFIDRO C[C@H]([NH2+][C@@H]1CCN(C2CCCCC2)C1=O)c1ccncc1 ZINC000160139592 541021897 /nfs/dbraw/zinc/02/18/97/541021897.db2.gz SFZCELFYMQZIGS-XJKSGUPXSA-N 1 0 287.407 2.666 20 70 CFIDRO CC1(O)CC[NH+](Cc2cc(F)cc3cccnc32)CC1 ZINC000161232089 541563331 /nfs/dbraw/zinc/56/33/31/541563331.db2.gz XKVHHNUJCPXCJT-UHFFFAOYSA-N 1 0 274.339 2.721 20 70 CFIDRO COCC[C@@H](C)[NH2+]C1CCN([C@H](C)c2ccncc2)CC1 ZINC000159903248 378736599 /nfs/dbraw/zinc/73/65/99/378736599.db2.gz OSJISHVFXFYKFC-HUUCEWRRSA-N 1 0 291.439 2.622 20 70 CFIDRO Cc1ccc([C@H](C)NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000159942506 378738402 /nfs/dbraw/zinc/73/84/02/378738402.db2.gz IYHZJZNIODILES-AEGPPILISA-N 1 0 260.381 2.690 20 70 CFIDRO CC(C)([NH3+])CNC(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000159977299 378740081 /nfs/dbraw/zinc/74/00/81/378740081.db2.gz VLKGQAVOEUYFDW-UHFFFAOYSA-N 1 0 276.424 2.770 20 70 CFIDRO CCCC[C@@H](COC)[NH2+]C[C@](C)(O)c1ccsc1 ZINC000160033551 378743848 /nfs/dbraw/zinc/74/38/48/378743848.db2.gz TXGQCONZJIEJSK-KBPBESRZSA-N 1 0 271.426 2.750 20 70 CFIDRO CC[C@@H]([NH2+]Cc1ccc(OC(C)C)nc1)c1cnn(C)c1 ZINC000160038001 378745249 /nfs/dbraw/zinc/74/52/49/378745249.db2.gz SGDFMMFKVHNKBI-OAHLLOKOSA-N 1 0 288.395 2.843 20 70 CFIDRO CN(Cc1csc(-c2ccco2)n1)[C@@H](C[NH3+])C1CC1 ZINC000160077381 378747073 /nfs/dbraw/zinc/74/70/73/378747073.db2.gz RZEYWYPQCTYDIP-LBPRGKRZSA-N 1 0 277.393 2.572 20 70 CFIDRO [NH3+]CCCNC(=O)[C@@]1(Cc2ccccc2)C[C@H]2CC[C@@H]1C2 ZINC000160065428 378747565 /nfs/dbraw/zinc/74/75/65/378747565.db2.gz XBKJLJBNJHYHLP-JZXOWHBKSA-N 1 0 286.419 2.501 20 70 CFIDRO COc1ccc([C@H](CCO)[NH2+][C@@H](C)c2ccccn2)cc1 ZINC000159391764 378707387 /nfs/dbraw/zinc/70/73/87/378707387.db2.gz ZZECISNDHDJTDR-GUYCJALGSA-N 1 0 286.375 2.865 20 70 CFIDRO C[C@@H](NC(=O)[C@@H](C)N(C)Cc1cccnc1)c1ccccc1 ZINC000159459412 378710503 /nfs/dbraw/zinc/71/05/03/378710503.db2.gz DXSSJBINSCYYAJ-HUUCEWRRSA-N 1 0 297.402 2.779 20 70 CFIDRO [NH3+]C1(CNC(=O)c2ccc(OC(F)F)cc2)CCCCC1 ZINC000159464358 378711125 /nfs/dbraw/zinc/71/11/25/378711125.db2.gz STDQFNFWKVBQNQ-UHFFFAOYSA-N 1 0 298.333 2.679 20 70 CFIDRO CC(C)C[C@@H]([NH2+]CCCN1CCCC1=O)c1ccccn1 ZINC000159476181 378712287 /nfs/dbraw/zinc/71/22/87/378712287.db2.gz PNSHEXIIGLLMIC-MRXNPFEDSA-N 1 0 289.423 2.771 20 70 CFIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](C)c2ccccc2C)CC1 ZINC000159505006 378714320 /nfs/dbraw/zinc/71/43/20/378714320.db2.gz XIBFIEIWFBMRKI-OAHLLOKOSA-N 1 0 289.423 2.793 20 70 CFIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000159527213 378714824 /nfs/dbraw/zinc/71/48/24/378714824.db2.gz USMWBDKAQLVBNI-OLZOCXBDSA-N 1 0 292.423 2.624 20 70 CFIDRO Cc1ccc2c(c1)[C@H]([NH2+]CCCN1CCCC1=O)CC2 ZINC000159548335 378715875 /nfs/dbraw/zinc/71/58/75/378715875.db2.gz JEHKFCWHTRPDLK-MRXNPFEDSA-N 1 0 272.392 2.584 20 70 CFIDRO Cc1c2ccccc2oc1[C@H](NC(=O)[C@H](C)[NH3+])C(C)C ZINC000159695762 378724325 /nfs/dbraw/zinc/72/43/25/378724325.db2.gz HEVHRLACGVYTRY-SMDDNHRTSA-N 1 0 274.364 2.902 20 70 CFIDRO OCC[NH2+][C@@H](CCc1ccccc1)c1ccccc1 ZINC000159703668 378726257 /nfs/dbraw/zinc/72/62/57/378726257.db2.gz VAZSSHNQCCXJQD-KRWDZBQOSA-N 1 0 255.361 2.942 20 70 CFIDRO Cc1ccccc1[C@H](C)[NH2+]CCCNC(=O)C1CCC1 ZINC000159760346 378729097 /nfs/dbraw/zinc/72/90/97/378729097.db2.gz VNOFIPDBKIQHOA-AWEZNQCLSA-N 1 0 274.408 2.952 20 70 CFIDRO c1coc(C[N@@H+](CCn2ccnc2)C2CCCC2)c1 ZINC000159760761 378729238 /nfs/dbraw/zinc/72/92/38/378729238.db2.gz YNIJMNKTEBTSJL-UHFFFAOYSA-N 1 0 259.353 2.921 20 70 CFIDRO Cc1ccccc1[C@H](C)[NH2+][C@H](C)CO[C@@H]1CCOC1 ZINC000159779144 378730369 /nfs/dbraw/zinc/73/03/69/378730369.db2.gz NLDJWFGJSNZYPZ-QLFBSQMISA-N 1 0 263.381 2.840 20 70 CFIDRO CCOC(=O)CCC[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159809442 378731934 /nfs/dbraw/zinc/73/19/34/378731934.db2.gz LYHPFFLUYQJNQI-UHFFFAOYSA-N 1 0 278.396 2.528 20 70 CFIDRO CC(C)[C@@H]([NH3+])C(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000159813084 378732462 /nfs/dbraw/zinc/73/24/62/378732462.db2.gz NOQQKEZABVNVPM-TZMCWYRMSA-N 1 0 280.799 2.639 20 70 CFIDRO O=C([C@@H]1CCCC[NH2+]1)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000159805675 378732732 /nfs/dbraw/zinc/73/27/32/378732732.db2.gz JCUCUVITYKVDOO-HIFRSBDPSA-N 1 0 292.810 2.798 20 70 CFIDRO COc1ccc(C[N@H+](C)Cc2nc(C)ccc2O)cc1 ZINC000159853171 378733605 /nfs/dbraw/zinc/73/36/05/378733605.db2.gz VRZPTABKAJMNQS-UHFFFAOYSA-N 1 0 272.348 2.736 20 70 CFIDRO CCc1nc(C)c([C@H](C)[N@H+](C)CCn2ccnc2)s1 ZINC000159848808 378734267 /nfs/dbraw/zinc/73/42/67/378734267.db2.gz UNQRAAKSMLUGFD-LBPRGKRZSA-N 1 0 278.425 2.903 20 70 CFIDRO CCc1nnc(CN[C@H](CC)c2ccc(OC)cc2)[nH]1 ZINC000160275110 378760619 /nfs/dbraw/zinc/76/06/19/378760619.db2.gz RSCXAESKEUSTMX-CYBMUJFWSA-N 1 0 274.368 2.617 20 70 CFIDRO COC(=O)[C@H]1CCC[N@H+](CCCc2cccc(OC)c2)C1 ZINC000160345122 378764969 /nfs/dbraw/zinc/76/49/69/378764969.db2.gz CBCNBRNELHSSIJ-HNNXBMFYSA-N 1 0 291.391 2.513 20 70 CFIDRO CCc1nnc(CN[C@@H](C)c2cc(C)cc(C)c2)[nH]1 ZINC000160420110 378769793 /nfs/dbraw/zinc/76/97/93/378769793.db2.gz JXLYREHVHSLDIT-LBPRGKRZSA-N 1 0 258.369 2.835 20 70 CFIDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(N3CCCC3)nc2)CCO1 ZINC000160468705 378774445 /nfs/dbraw/zinc/77/44/45/378774445.db2.gz TVGQOLATDDZRLY-HNNXBMFYSA-N 1 0 289.423 2.729 20 70 CFIDRO CCC([NH3+])(CC)CNC(=O)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000160465675 378774478 /nfs/dbraw/zinc/77/44/78/378774478.db2.gz RRGDYULBRSQRFW-MNOVXSKESA-N 1 0 296.361 2.702 20 70 CFIDRO c1cc(N2CCC[C@@H]2C[NH+]2CCCCC2)nc(C2CC2)n1 ZINC000160452834 378774777 /nfs/dbraw/zinc/77/47/77/378774777.db2.gz NEFOCJCFRBIWRZ-OAHLLOKOSA-N 1 0 286.423 2.809 20 70 CFIDRO CC(=O)Nc1ccccc1C[NH2+]C[C@H](O)c1ccsc1 ZINC000160474706 378775899 /nfs/dbraw/zinc/77/58/99/378775899.db2.gz OMLHNSZZJPBZFV-HNNXBMFYSA-N 1 0 290.388 2.530 20 70 CFIDRO C[NH2+][C@H]1CCN(C(=O)CCCCc2ccc(C)cc2)C1 ZINC000160528026 378779264 /nfs/dbraw/zinc/77/92/64/378779264.db2.gz VWAJFRWOXUYYLY-INIZCTEOSA-N 1 0 274.408 2.528 20 70 CFIDRO O=C(C[C@@H]1CCC[NH2+]1)NCC1(c2cccc(Cl)c2)CC1 ZINC000160548063 378780053 /nfs/dbraw/zinc/78/00/53/378780053.db2.gz IXEHCWWCBMYHIB-AWEZNQCLSA-N 1 0 292.810 2.630 20 70 CFIDRO Cc1ccc([C@H](C)[NH2+]CC(=O)NCC(F)(F)F)cc1C ZINC000160557947 378781299 /nfs/dbraw/zinc/78/12/99/378781299.db2.gz GROSXGPCVGQTEZ-NSHDSACASA-N 1 0 288.313 2.633 20 70 CFIDRO CCc1ccc([C@@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)s1 ZINC000160559345 378782451 /nfs/dbraw/zinc/78/24/51/378782451.db2.gz XGBVGMAGNYDWBC-ZYHUDNBSSA-N 1 0 290.436 2.876 20 70 CFIDRO CC[C@H](C)C[N@H+](CC)[C@H](C(N)=O)c1ccc(F)cc1 ZINC000160583660 378784282 /nfs/dbraw/zinc/78/42/82/378784282.db2.gz DLBRFPNKDLQGCS-FZMZJTMJSA-N 1 0 266.360 2.720 20 70 CFIDRO Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC(C)(C)O)cc1Cl ZINC000160604409 378785944 /nfs/dbraw/zinc/78/59/44/378785944.db2.gz CAUCWVRQBUMFRV-NSHDSACASA-N 1 0 298.814 2.726 20 70 CFIDRO Cc1csc(CCCC[NH2+][C@H](C)c2cnccn2)n1 ZINC000160668521 378789128 /nfs/dbraw/zinc/78/91/28/378789128.db2.gz ZJYSTHLEVKYHMG-GFCCVEGCSA-N 1 0 276.409 2.915 20 70 CFIDRO CC[C@@H](NC(=O)C[C@@H]1CCC[NH2+]1)c1cc(F)ccc1F ZINC000160659282 378789580 /nfs/dbraw/zinc/78/95/80/378789580.db2.gz BMCVYRPRCHAINV-SMDDNHRTSA-N 1 0 282.334 2.674 20 70 CFIDRO CC(C)(O)C[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000160658252 378789873 /nfs/dbraw/zinc/78/98/73/378789873.db2.gz VURTYACCKSGQTB-GFCCVEGCSA-N 1 0 289.297 2.933 20 70 CFIDRO CC[C@@H]([NH2+]CCCNC(C)=O)c1ccc(F)cc1F ZINC000160718558 378792785 /nfs/dbraw/zinc/79/27/85/378792785.db2.gz OOKNRRXKNHZTPV-CQSZACIVSA-N 1 0 270.323 2.532 20 70 CFIDRO CCC(CC)(C[NH3+])C(=O)NC[C@H]1CCCc2ccccc21 ZINC000161181138 378830007 /nfs/dbraw/zinc/83/00/07/378830007.db2.gz NFGISXVXQPIZKT-OAHLLOKOSA-N 1 0 288.435 2.988 20 70 CFIDRO CC[C@@H](NC(=O)[C@H]([NH3+])C(C)C)c1ccc(F)cc1F ZINC000161209937 378830908 /nfs/dbraw/zinc/83/09/08/378830908.db2.gz BGFKKJSQVLRMIO-CHWSQXEVSA-N 1 0 270.323 2.515 20 70 CFIDRO COc1ccc(CC[C@@H](C)[NH2+]Cc2cnn(C)c2C)cc1 ZINC000161268824 378833916 /nfs/dbraw/zinc/83/39/16/378833916.db2.gz GOWOGVYBTISHKD-CYBMUJFWSA-N 1 0 287.407 2.848 20 70 CFIDRO [NH3+]C1(C(=O)N[C@@H](Cc2ccccc2)C2CC2)CCCCC1 ZINC000161260234 378834645 /nfs/dbraw/zinc/83/46/45/378834645.db2.gz DRTICUFCOFZUCA-INIZCTEOSA-N 1 0 286.419 2.786 20 70 CFIDRO C[C@@H](C[NH2+][C@@H](C)c1cnn(C)c1)N(C)Cc1ccccc1 ZINC000160866182 378806129 /nfs/dbraw/zinc/80/61/29/378806129.db2.gz WMGHNYFKUHKADC-GJZGRUSLSA-N 1 0 286.423 2.591 20 70 CFIDRO C[C@H](CN1CCCC1=O)[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000160901866 378807182 /nfs/dbraw/zinc/80/71/82/378807182.db2.gz UNAAEJYTWBYYKD-SNVBAGLBSA-N 1 0 284.762 2.580 20 70 CFIDRO CC[NH2+]CC1CCN(C(=O)/C=C/c2ccc(C)cc2)CC1 ZINC000161061088 378817597 /nfs/dbraw/zinc/81/75/97/378817597.db2.gz UIWPGGQKPODMSY-CMDGGOBGSA-N 1 0 286.419 2.856 20 70 CFIDRO C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000161044201 378818667 /nfs/dbraw/zinc/81/86/67/378818667.db2.gz SBNBYAHSAZVPSV-XJKCOSOUSA-N 1 0 290.382 2.735 20 70 CFIDRO O=C(Nc1ccc(COC2CCCC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000161135774 378824919 /nfs/dbraw/zinc/82/49/19/378824919.db2.gz LJHRSDKWWHDSAE-INIZCTEOSA-N 1 0 288.391 2.836 20 70 CFIDRO C[C@H](NC(=O)[C@H]1CCC[NH2+]C1)c1ccc(F)cc1Cl ZINC000161152630 378826219 /nfs/dbraw/zinc/82/62/19/378826219.db2.gz HWBOWIXSEYYDKB-UWVGGRQHSA-N 1 0 284.762 2.656 20 70 CFIDRO CCN1CCCC[C@H]1C[NH2+][C@@H](C)c1cnc(C)nc1C ZINC000161174520 378827744 /nfs/dbraw/zinc/82/77/44/378827744.db2.gz MJFNJYCLNIBFES-WFASDCNBSA-N 1 0 276.428 2.618 20 70 CFIDRO CSc1cc(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)ccc1F ZINC000161312388 378839289 /nfs/dbraw/zinc/83/92/89/378839289.db2.gz RIYDWHQXCFUKGL-SNVBAGLBSA-N 1 0 296.411 2.760 20 70 CFIDRO C[C@@H]([NH2+]CC1(c2ccc(F)cc2)CC1)c1cnccn1 ZINC000161360015 378841553 /nfs/dbraw/zinc/84/15/53/378841553.db2.gz FZQOVMGBVBHGAP-GFCCVEGCSA-N 1 0 271.339 2.998 20 70 CFIDRO CC(C)C[C@H]([NH3+])C(=O)NC[C@H](C)Oc1cccc(Cl)c1 ZINC000161403016 378844435 /nfs/dbraw/zinc/84/44/35/378844435.db2.gz FESLBNGERRIKFR-FZMZJTMJSA-N 1 0 298.814 2.597 20 70 CFIDRO Cc1nn(C)cc1C[NH2+]C1(c2ccccc2)CCC1 ZINC000161406635 378844595 /nfs/dbraw/zinc/84/45/95/378844595.db2.gz XFSZATHRXITXSV-UHFFFAOYSA-N 1 0 255.365 2.898 20 70 CFIDRO C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000161421366 378846669 /nfs/dbraw/zinc/84/66/69/378846669.db2.gz POXOXIYPCFAEPZ-VHDGCEQUSA-N 1 0 274.408 2.764 20 70 CFIDRO CC(C)CC[C@](C)(O)C[NH2+][C@@H](C)CC1CCOCC1 ZINC000159443112 322322746 /nfs/dbraw/zinc/32/27/46/322322746.db2.gz JLFSNPJDDJHQQF-HOCLYGCPSA-N 1 0 271.445 2.968 20 70 CFIDRO CC[C@@H]1CO[C@H](C)C[N@@H+]1C[C@@H](O)c1cc2ccccc2o1 ZINC000216972061 382785287 /nfs/dbraw/zinc/78/52/87/382785287.db2.gz RSZWYTFDHSCRNK-BPLDGKMQSA-N 1 0 289.375 2.966 20 70 CFIDRO CC[C@@H](C)[N@H+](C)CCNCc1c(C)nc2sc(C)cn12 ZINC000217397765 382786134 /nfs/dbraw/zinc/78/61/34/382786134.db2.gz KIPGDTOWJKTEGO-LLVKDONJSA-N 1 0 294.468 2.833 20 70 CFIDRO CC[C@H](C)[N@H+](C)CCNCc1cc(OC)cc(OC)c1 ZINC000217377333 382786322 /nfs/dbraw/zinc/78/63/22/382786322.db2.gz QWZRBTFRKCNYFX-ZDUSSCGKSA-N 1 0 280.412 2.524 20 70 CFIDRO C[C@H](CCc1ccc(O)cc1)[NH2+][C@H]1CCN2CCCC[C@@H]12 ZINC000217688352 382787497 /nfs/dbraw/zinc/78/74/97/382787497.db2.gz FAIXWBQUCRDEGP-JLSDUUJJSA-N 1 0 288.435 2.930 20 70 CFIDRO Fc1ccc(CN[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c(F)c1 ZINC000217642952 382787607 /nfs/dbraw/zinc/78/76/07/382787607.db2.gz BKLXVKJTYXWEAB-CABCVRRESA-N 1 0 266.335 2.681 20 70 CFIDRO Cc1cc(C[NH2+]CCNC(=O)OC(C)(C)C)cc(C)c1O ZINC000218178989 382789285 /nfs/dbraw/zinc/78/92/85/382789285.db2.gz KEUXICBYAJHGSB-UHFFFAOYSA-N 1 0 294.395 2.623 20 70 CFIDRO C[C@@H]1CCCC[C@H]1[NH2+]CCS(=O)(=O)c1ccccc1 ZINC000218461129 382790293 /nfs/dbraw/zinc/79/02/93/382790293.db2.gz HKPUMDHSXFAMIP-UKRRQHHQSA-N 1 0 281.421 2.629 20 70 CFIDRO C[NH2+][C@H]1CCN(C(=O)C(C)(C)CCCc2ccccc2)C1 ZINC000160491260 533030589 /nfs/dbraw/zinc/03/05/89/533030589.db2.gz BKWURVLOJCWUGW-INIZCTEOSA-N 1 0 288.435 2.856 20 70 CFIDRO OCC[C@@H]1CCCC[N@@H+]1C[C@@H]1CCOc2ccccc21 ZINC000218341068 285263561 /nfs/dbraw/zinc/26/35/61/285263561.db2.gz AFGSFYXPBDMZCZ-GJZGRUSLSA-N 1 0 275.392 2.790 20 70 CFIDRO O[C@@H]1CCCC[C@H]1C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000160562688 285312924 /nfs/dbraw/zinc/31/29/24/285312924.db2.gz HDWYWIJISHPBEC-MAUKXSAKSA-N 1 0 288.435 2.796 20 70 CFIDRO O[C@H]1CCCC[C@@H]1C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000160562568 285361420 /nfs/dbraw/zinc/36/14/20/285361420.db2.gz HDWYWIJISHPBEC-QAPCUYQASA-N 1 0 288.435 2.796 20 70 CFIDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc(Cl)cc1O ZINC000217406501 393756799 /nfs/dbraw/zinc/75/67/99/393756799.db2.gz AUCKGFIFBBDOBA-JTQLQIEISA-N 1 0 284.787 2.506 20 70 CFIDRO C[C@H](c1ccccc1F)N1CCC[C@@H]([NH+](C)C)C1 ZINC000217139431 393756937 /nfs/dbraw/zinc/75/69/37/393756937.db2.gz ZXFWBBOKZQQAME-CHWSQXEVSA-N 1 0 250.361 2.913 20 70 CFIDRO CN(C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)[C@@H](C[NH3+])C1CC1 ZINC000159879710 394365809 /nfs/dbraw/zinc/36/58/09/394365809.db2.gz VNIRFKISFIKYDQ-WOPDTQHZSA-N 1 0 292.345 2.551 20 70 CFIDRO CC(C)C[C@@H]1CCCCCN1C(=O)C[C@@H]1CCC[NH2+]1 ZINC000159919346 394366195 /nfs/dbraw/zinc/36/61/95/394366195.db2.gz VBDCLWPUNKNGCX-GJZGRUSLSA-N 1 0 266.429 2.946 20 70 CFIDRO FC(F)(F)c1nnc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000160343032 394366353 /nfs/dbraw/zinc/36/63/53/394366353.db2.gz WNIAFHPCCMQTBM-HTQZYQBOSA-N 1 0 292.330 2.596 20 70 CFIDRO CO[C@]1(C)C[C@H]([NH2+]Cc2ccccc2NC(C)=O)C1(C)C ZINC000160511777 394366566 /nfs/dbraw/zinc/36/65/66/394366566.db2.gz CODOOPPEMDYLKN-DOTOQJQBSA-N 1 0 290.407 2.938 20 70 CFIDRO COc1c(C)cnc(C[N@H+](C[C@H]2CCOC2)C2CC2)c1C ZINC000160968908 394366951 /nfs/dbraw/zinc/36/69/51/394366951.db2.gz KEAJYEKJJDYCPQ-CQSZACIVSA-N 1 0 290.407 2.708 20 70 CFIDRO Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)[C@@H](C)[NH3+])cc1 ZINC000161234896 292280349 /nfs/dbraw/zinc/28/03/49/292280349.db2.gz AURGJYPCEQUJAM-UMVBOHGHSA-N 1 0 260.381 2.642 20 70 CFIDRO CC[C@@H]([NH2+]CCN(C)Cc1ccc(F)cc1)[C@@H]1CCOC1 ZINC000160135567 286907413 /nfs/dbraw/zinc/90/74/13/286907413.db2.gz HYINQECMUWEGFT-NVXWUHKLSA-N 1 0 294.414 2.662 20 70 CFIDRO C[C@@H](c1ccncc1)N(C)CCC[NH+]1CCCCC1 ZINC000161460253 287156207 /nfs/dbraw/zinc/15/62/07/287156207.db2.gz JRMFKRBJNDYUTG-HNNXBMFYSA-N 1 0 261.413 2.950 20 70 CFIDRO C[C@@H]1CCC[C@@H](C(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000160009512 287371040 /nfs/dbraw/zinc/37/10/40/287371040.db2.gz YUMXGHGATNMQQY-HUUCEWRRSA-N 1 0 278.440 2.900 20 70 CFIDRO C[C@@H]1CC([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)C[C@@H](C)O1 ZINC000218145830 263033606 /nfs/dbraw/zinc/03/36/06/263033606.db2.gz UAVWNYGVMYGFEM-UPJWGTAASA-N 1 0 298.427 2.541 20 70 CFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](Cc1ccccc1)C1CC1)CC2 ZINC000160321265 274854417 /nfs/dbraw/zinc/85/44/17/274854417.db2.gz PEOHRQBMPNMTSC-IAGOWNOFSA-N 1 0 296.418 2.512 20 70 CFIDRO CC(C)C[C@@H]1CCCCCN1C(=O)C[C@H]1CCC[NH2+]1 ZINC000159919591 275903878 /nfs/dbraw/zinc/90/38/78/275903878.db2.gz VBDCLWPUNKNGCX-CABCVRRESA-N 1 0 266.429 2.946 20 70 CFIDRO CCS[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCN(C)C[C@@H]2C)C1 ZINC000159405880 276397684 /nfs/dbraw/zinc/39/76/84/276397684.db2.gz IWIPOTOUORYIKL-GBJTYRQASA-N 1 0 270.486 2.981 20 70 CFIDRO CC[C@@H](Cc1ccccc1)N(C)C(=O)C[C@H]1CCC[NH2+]1 ZINC000161107730 276528144 /nfs/dbraw/zinc/52/81/44/276528144.db2.gz RQNYFCTXPRRQSX-CVEARBPZSA-N 1 0 274.408 2.608 20 70 CFIDRO CCc1nsc(N2CCC[C@@H]2C[NH+]2CCCCC2)n1 ZINC000160443584 276705879 /nfs/dbraw/zinc/70/58/79/276705879.db2.gz QTRLCDRLFZVJBK-GFCCVEGCSA-N 1 0 280.441 2.555 20 70 CFIDRO CC(C)([NH3+])CNC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000160123491 277307627 /nfs/dbraw/zinc/30/76/27/277307627.db2.gz GMNSHFLYFZODJV-HZPDHXFCSA-N 1 0 282.387 2.797 20 70 CFIDRO COc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cnn(C)c1C ZINC000161313046 277948170 /nfs/dbraw/zinc/94/81/70/277948170.db2.gz NEDBEJVXFLZOEV-KRWDZBQOSA-N 1 0 285.391 2.904 20 70 CFIDRO C[C@@H]1CC[C@@H](NC(=O)N2CC[NH+](CC3CC3)CC2)[C@@H](C)C1 ZINC000217185079 278585552 /nfs/dbraw/zinc/58/55/52/278585552.db2.gz ZBUPQBPCHNTAOJ-IJEWVQPXSA-N 1 0 293.455 2.548 20 70 CFIDRO CCO[C@H]1C[C@H]([NH2+]CC2(CO)CCCC2)C12CCCC2 ZINC000160087348 279933749 /nfs/dbraw/zinc/93/37/49/279933749.db2.gz RZGHHZOPMYZTFU-GJZGRUSLSA-N 1 0 281.440 2.867 20 70 CFIDRO CC[C@@H]([NH2+][C@H](CCO)c1ccccc1)[C@@H]1CCOC1 ZINC000161067825 280196929 /nfs/dbraw/zinc/19/69/29/280196929.db2.gz VIOZBXJLDJHQIX-BZUAXINKSA-N 1 0 263.381 2.515 20 70 CFIDRO CC(C)c1ccsc1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159470266 280653673 /nfs/dbraw/zinc/65/36/73/280653673.db2.gz QTLIKNRXLGMRRR-TXEJJXNPSA-N 1 0 278.421 2.838 20 70 CFIDRO CC[C@H](Cc1ccccc1)N(CC)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000161436881 280864081 /nfs/dbraw/zinc/86/40/81/280864081.db2.gz ZKLBCSDNXTVLGI-DLBZAZTESA-N 1 0 288.435 2.998 20 70 CFIDRO CCCN(CC[NH+](C)C)C(=O)c1oc(CC)cc1C ZINC000159394906 322322264 /nfs/dbraw/zinc/32/22/64/322322264.db2.gz NVZFEDPCQPNQFU-UHFFFAOYSA-N 1 0 266.385 2.564 20 70 CFIDRO Cc1cc(C)c(C[N@H+]2C[C@H](C(N)=O)CC[C@@H]2C)cc1C ZINC000159502609 322323515 /nfs/dbraw/zinc/32/35/15/322323515.db2.gz ZQLBSCGMYGBMQZ-LSDHHAIUSA-N 1 0 274.408 2.698 20 70 CFIDRO Cc1csc(N2CCC([NH2+][C@H]3CCCSC3)CC2)n1 ZINC000159547155 322324276 /nfs/dbraw/zinc/32/42/76/322324276.db2.gz CFQJLDMLBSJXFT-ZDUSSCGKSA-N 1 0 297.493 2.906 20 70 CFIDRO CCOc1ccccc1[C@@H](C)[NH2+]CCCN1CCCC1=O ZINC000159564363 322324713 /nfs/dbraw/zinc/32/47/13/322324713.db2.gz RUONYFWEBDDSCM-CQSZACIVSA-N 1 0 290.407 2.748 20 70 CFIDRO Cc1ccccc1CNC(=O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000159614868 322325380 /nfs/dbraw/zinc/32/53/80/322325380.db2.gz QUVGUCXNJWENKX-RDJZCZTQSA-N 1 0 286.419 2.876 20 70 CFIDRO CC1(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000159664057 322326183 /nfs/dbraw/zinc/32/61/83/322326183.db2.gz MYVZFYXINULQEH-HNNXBMFYSA-N 1 0 272.392 2.740 20 70 CFIDRO CC(C)[NH+](CCCNC(=O)[C@@H]1CC1(C)C)C(C)C ZINC000159662458 322326306 /nfs/dbraw/zinc/32/63/06/322326306.db2.gz KYDLMCCKBWXUKP-ZDUSSCGKSA-N 1 0 254.418 2.658 20 70 CFIDRO C[C@H](c1ccc(F)cc1)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159689566 322326719 /nfs/dbraw/zinc/32/67/19/322326719.db2.gz HQNAYWXLRKDHJR-ZLDLUXBVSA-N 1 0 251.345 2.980 20 70 CFIDRO C/C=C/COc1ccc(CC[C@@H](C)[NH2+]CCO)cc1 ZINC000159694299 322327008 /nfs/dbraw/zinc/32/70/08/322327008.db2.gz QRDPLJGUDLVHAI-RDFMZFSFSA-N 1 0 263.381 2.545 20 70 CFIDRO CCC[C@H]([NH3+])C(=O)NC1(c2ccc(Cl)cc2)CC1 ZINC000159802093 322328754 /nfs/dbraw/zinc/32/87/54/322328754.db2.gz WIMMXEFVHFIKIJ-LBPRGKRZSA-N 1 0 266.772 2.573 20 70 CFIDRO C[C@H](C[NH2+][C@H](C)c1cnccn1)N1CCc2ccccc2C1 ZINC000159807233 322328776 /nfs/dbraw/zinc/32/87/76/322328776.db2.gz CGSUFVRILURWSX-HUUCEWRRSA-N 1 0 296.418 2.574 20 70 CFIDRO CC(C)C(=O)NCCC[NH2+][C@H](C)c1ccccc1F ZINC000159991257 322331526 /nfs/dbraw/zinc/33/15/26/322331526.db2.gz ZULVXPYIIGBWAB-GFCCVEGCSA-N 1 0 266.360 2.639 20 70 CFIDRO CCSCC[C@@H](C)[NH2+]C[C@H](O)COc1cccc(C)c1 ZINC000160139735 322333443 /nfs/dbraw/zinc/33/34/43/322333443.db2.gz QRBJPPJTHHBHJW-CABCVRRESA-N 1 0 297.464 2.856 20 70 CFIDRO C[C@@H](CC(=O)N1CCCCCC1)[NH2+][C@@H](C)C1CC1 ZINC000160135373 322333566 /nfs/dbraw/zinc/33/35/66/322333566.db2.gz DGRXJEAXPVYJGZ-STQMWFEESA-N 1 0 252.402 2.556 20 70 CFIDRO CCSCC[C@@H](C)[NH2+]C[C@@H](O)COc1ccccc1C ZINC000160147253 322333576 /nfs/dbraw/zinc/33/35/76/322333576.db2.gz UJJJNQLFGREYHH-HUUCEWRRSA-N 1 0 297.464 2.856 20 70 CFIDRO [NH3+]CCC1CCN(C(=O)C2C3CC4CC(C3)CC2C4)CC1 ZINC000160202684 322334125 /nfs/dbraw/zinc/33/41/25/322334125.db2.gz GYWWWVQGPHYQEQ-UHFFFAOYSA-N 1 0 290.451 2.646 20 70 CFIDRO CC(C)[C@H](C)[NH2+][C@@H]1CCCN(c2ccccc2F)C1=O ZINC000160178724 322334278 /nfs/dbraw/zinc/33/42/78/322334278.db2.gz CPABOYNPVYGCJB-GXTWGEPZSA-N 1 0 278.371 2.955 20 70 CFIDRO Cc1ccc([C@@H](CNC(=O)NC2(C)CCC2)[NH+](C)C)cc1 ZINC000160213079 322334622 /nfs/dbraw/zinc/33/46/22/322334622.db2.gz TYIOSIPSNUIXGI-OAHLLOKOSA-N 1 0 289.423 2.840 20 70 CFIDRO CCSCC[C@@H](C)NC(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000160208847 322334795 /nfs/dbraw/zinc/33/47/95/322334795.db2.gz WDXYFKKIUWLOSN-DOMZBBRYSA-N 1 0 292.448 2.521 20 70 CFIDRO CC(C)C[C@@H](C)NC(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000160245994 322335077 /nfs/dbraw/zinc/33/50/77/322335077.db2.gz RZSDLGJUTDZXFG-HUUCEWRRSA-N 1 0 283.460 2.698 20 70 CFIDRO CCc1oc2ccccc2c1/C=C/C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000160705079 322341534 /nfs/dbraw/zinc/34/15/34/322341534.db2.gz LZWKIEXFHXLJPB-MMQHEFTJSA-N 1 0 298.386 2.829 20 70 CFIDRO CCC[N@H+](Cc1nncn1C)[C@H]1CCc2ccccc2C1 ZINC000160842294 322344154 /nfs/dbraw/zinc/34/41/54/322344154.db2.gz HBRKTUSZRAYMOP-INIZCTEOSA-N 1 0 284.407 2.585 20 70 CFIDRO CC[C@H](C(=O)Nc1nc(C(C)C)cs1)[NH+](C)C ZINC000160848551 322344297 /nfs/dbraw/zinc/34/42/97/322344297.db2.gz XRDRKPBNXDMZHI-SNVBAGLBSA-N 1 0 255.387 2.545 20 70 CFIDRO CC[C@@H]1C[N@H+](Cc2cnc3ccccn23)CCS1 ZINC000160882913 322344378 /nfs/dbraw/zinc/34/43/78/322344378.db2.gz SWFMFDSHDCUKQK-CYBMUJFWSA-N 1 0 261.394 2.662 20 70 CFIDRO C[C@@H]1C[C@H](NC(=O)C2CCC(C)(C)CC2)C[N@@H+]1C1CC1 ZINC000161105413 322347443 /nfs/dbraw/zinc/34/74/43/322347443.db2.gz QTGLZDHKLQFNKF-OCCSQVGLSA-N 1 0 278.440 2.944 20 70 CFIDRO C[C@H]1C[C@H](NC(=O)C2CCC(C)(C)CC2)C[N@@H+]1C1CC1 ZINC000161105519 322347629 /nfs/dbraw/zinc/34/76/29/322347629.db2.gz QTGLZDHKLQFNKF-JSGCOSHPSA-N 1 0 278.440 2.944 20 70 CFIDRO CC(C)[C@@H]([NH2+]CCCCS(C)(=O)=O)c1ccccc1 ZINC000161280342 322349872 /nfs/dbraw/zinc/34/98/72/322349872.db2.gz FBSOIRHQMBGJIT-OAHLLOKOSA-N 1 0 283.437 2.798 20 70 CFIDRO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C)C[C@@H]2C)C1(CC)CC ZINC000161301982 322350031 /nfs/dbraw/zinc/35/00/31/322350031.db2.gz LRSNLUOAFBSPCK-XUWVNRHRSA-N 1 0 282.472 2.900 20 70 CFIDRO CC(C)(C)OC(=O)NCCC[NH2+]CCCC1CC1 ZINC000161373205 322351011 /nfs/dbraw/zinc/35/10/11/322351011.db2.gz CWTODTUGUVLRDD-UHFFFAOYSA-N 1 0 256.390 2.681 20 70 CFIDRO CC[C@H]([NH3+])C(=O)Nc1ccccc1SC(C)C ZINC000161398370 322351020 /nfs/dbraw/zinc/35/10/20/322351020.db2.gz QSBZTEAMSHZSBD-JTQLQIEISA-N 1 0 252.383 2.863 20 70 CFIDRO CCC[C@H]1CCCN(C(=O)NCC[NH+](CC)CC)C1 ZINC000161482909 322352568 /nfs/dbraw/zinc/35/25/68/322352568.db2.gz SPIXBWWLBATFQW-AWEZNQCLSA-N 1 0 269.433 2.550 20 70 CFIDRO C[C@@H]1CC[C@H](CC(=O)NCC2([NH3+])CCCCC2)C1 ZINC000159646838 534231366 /nfs/dbraw/zinc/23/13/66/534231366.db2.gz OFZUCWQUXRYDDO-OLZOCXBDSA-N 1 0 252.402 2.591 20 70 CFIDRO CC(C)([NH3+])CNC(=O)C1(c2cccc(F)c2)CCCCC1 ZINC000159965205 519299745 /nfs/dbraw/zinc/29/97/45/519299745.db2.gz DECRXPPLLCZUIY-UHFFFAOYSA-N 1 0 292.398 2.881 20 70 CFIDRO CC(C)C[NH+]1CCN(Cc2csc(C3CC3)n2)CC1 ZINC000161314381 519727016 /nfs/dbraw/zinc/72/70/16/519727016.db2.gz YVOGENPGEFTXCZ-UHFFFAOYSA-N 1 0 279.453 2.794 20 70 CFIDRO CCC[N@@H+]1CCCN(C(=O)CCC2CCCC2)CC1 ZINC000160364566 519848936 /nfs/dbraw/zinc/84/89/36/519848936.db2.gz ORKQOZUTWQTWJQ-UHFFFAOYSA-N 1 0 266.429 2.901 20 70 CFIDRO CCC[N@@H+]1CCCN(C(=O)c2cc(C)ccc2C)CC1 ZINC000160383263 519850745 /nfs/dbraw/zinc/85/07/45/519850745.db2.gz HEGZGVYTVUHTEO-UHFFFAOYSA-N 1 0 274.408 2.861 20 70 CFIDRO CCOC(=O)CCC[N@@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000159842700 520640879 /nfs/dbraw/zinc/64/08/79/520640879.db2.gz SRJPWMWQYZRYGX-OAHLLOKOSA-N 1 0 276.380 2.870 20 70 CFIDRO CCC[C@@H](C)[C@@H](CC)[NH2+]CCCN1CCCC1=O ZINC000159538258 520669635 /nfs/dbraw/zinc/66/96/35/520669635.db2.gz HKAMJTMEWDINKD-ZIAGYGMSSA-N 1 0 254.418 2.803 20 70 CFIDRO CC[NH+](CC)[C@@H](C)CNCc1cc(F)cc(F)c1 ZINC000159848008 520829533 /nfs/dbraw/zinc/82/95/33/520829533.db2.gz OKYUICBEYGWTHH-NSHDSACASA-N 1 0 256.340 2.785 20 70 CFIDRO CCC(=O)N1CCC[N@H+](CCC2CCCC2)CC1 ZINC000159467727 521105184 /nfs/dbraw/zinc/10/51/84/521105184.db2.gz NCCSQXBQONGRJT-UHFFFAOYSA-N 1 0 252.402 2.511 20 70 CFIDRO CCOc1ccc([C@H](C)[NH2+][C@H](CCO)CSC)cc1 ZINC000160404214 521260817 /nfs/dbraw/zinc/26/08/17/521260817.db2.gz GARFCEFOFIUSCH-GXTWGEPZSA-N 1 0 283.437 2.850 20 70 CFIDRO CCOCCC[N@H+](C)CCCc1ccc(OC)cc1 ZINC000159533236 521703825 /nfs/dbraw/zinc/70/38/25/521703825.db2.gz DXPFUTLSUDEDIA-UHFFFAOYSA-N 1 0 265.397 2.986 20 70 CFIDRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)[C@@H]1CC1(C)C ZINC000160941310 521751013 /nfs/dbraw/zinc/75/10/13/521751013.db2.gz QAQMRFVRTBXSSH-AWEZNQCLSA-N 1 0 292.398 2.762 20 70 CFIDRO CC[C@@H](C)[N@H+](C)CCN[C@@H](C)c1cnn(C(C)C)c1 ZINC000160142091 522061395 /nfs/dbraw/zinc/06/13/95/522061395.db2.gz NTFFRXQFZYPFPT-KGLIPLIRSA-N 1 0 266.433 2.845 20 70 CFIDRO COC[C@@H](C)[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000161149547 522253706 /nfs/dbraw/zinc/25/37/06/522253706.db2.gz GIHYPISAXFJKKU-BDJLRTHQSA-N 1 0 277.364 2.533 20 70 CFIDRO CCc1nc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cs1 ZINC000159527910 522352277 /nfs/dbraw/zinc/35/22/77/522352277.db2.gz IRASPTVATSFLLS-BNOWGMLFSA-N 1 0 278.421 2.753 20 70 CFIDRO COC[C@@H]([NH2+]C[C@@H](C1CCCCC1)N(C)C)C(C)C ZINC000160413000 522354316 /nfs/dbraw/zinc/35/43/16/522354316.db2.gz DZPWRRXTOWTJCS-CVEARBPZSA-N 1 0 270.461 2.758 20 70 CFIDRO COC[C@@H]([NH2+][C@@H](CCCO)c1ccccc1)C(C)C ZINC000160849420 522374838 /nfs/dbraw/zinc/37/48/38/522374838.db2.gz CSNSQXFYAGECPS-JKSUJKDBSA-N 1 0 265.397 2.761 20 70 CFIDRO COc1cc(C[NH2+]C(C)(C)[C@H](C)O)cc(Cl)c1OC ZINC000161122434 522438831 /nfs/dbraw/zinc/43/88/31/522438831.db2.gz LZVBKHPIWQOKHI-VIFPVBQESA-N 1 0 287.787 2.606 20 70 CFIDRO C[N@H+](CCCC(=O)c1ccc(F)cc1)[C@@H]1CCOC1 ZINC000160035395 522723989 /nfs/dbraw/zinc/72/39/89/522723989.db2.gz VWNDWAKHYXXMEV-CQSZACIVSA-N 1 0 265.328 2.509 20 70 CFIDRO CC[C@H]([NH2+][C@@H]1CCc2nc(C)nn2C1)c1cccs1 ZINC000160418626 522724897 /nfs/dbraw/zinc/72/48/97/522724897.db2.gz LKCACRNRYNIRRT-NEPJUHHUSA-N 1 0 276.409 2.704 20 70 CFIDRO C[N@H+](CCCC(=O)c1ccc(F)cc1)[C@H]1CCOC1 ZINC000160035507 522725481 /nfs/dbraw/zinc/72/54/81/522725481.db2.gz VWNDWAKHYXXMEV-AWEZNQCLSA-N 1 0 265.328 2.509 20 70 CFIDRO CC[C@@H]([NH2+]C[C@](C)(O)CCC(C)C)[C@H]1CCOC1 ZINC000159412481 522867521 /nfs/dbraw/zinc/86/75/21/522867521.db2.gz XKXAZZXSJRZHRH-RRFJBIMHSA-N 1 0 257.418 2.578 20 70 CFIDRO C[N@H+](CCOc1ccccc1Cl)[C@H]1CCCC[C@@H]1O ZINC000161079682 522918426 /nfs/dbraw/zinc/91/84/26/522918426.db2.gz CLRCFLGDBSAQDT-KBPBESRZSA-N 1 0 283.799 2.954 20 70 CFIDRO CC[C@@H]1CN(CCC[NH+]2CCCCC2)CCS1 ZINC000161383618 523438487 /nfs/dbraw/zinc/43/84/87/523438487.db2.gz WLMWMDALUUFOHL-CQSZACIVSA-N 1 0 256.459 2.690 20 70 CFIDRO CC[C@@](C)(O)C[NH+]1CCC(OCC2CCCC2)CC1 ZINC000161482469 523662898 /nfs/dbraw/zinc/66/28/98/523662898.db2.gz PVNPQSRQZSYLAY-MRXNPFEDSA-N 1 0 269.429 2.819 20 70 CFIDRO C[NH+]1CCC(Oc2ccc(NCc3ccco3)cn2)CC1 ZINC000160085074 523783081 /nfs/dbraw/zinc/78/30/81/523783081.db2.gz KKRJTTKUFIGTNQ-UHFFFAOYSA-N 1 0 287.363 2.760 20 70 CFIDRO COc1ccc(C)cc1CN[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217690133 523812736 /nfs/dbraw/zinc/81/27/36/523812736.db2.gz BUYQETWKZBWRKD-CVEARBPZSA-N 1 0 274.408 2.720 20 70 CFIDRO CCc1ccc(CC(=O)N[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000160360396 523909915 /nfs/dbraw/zinc/90/99/15/523909915.db2.gz QQUJZJLHBZHNRV-OAHLLOKOSA-N 1 0 288.435 2.782 20 70 CFIDRO C[N@@H+]1CCN(Cc2cnc3ccccn23)C2(CCCCC2)C1 ZINC000160896937 523913656 /nfs/dbraw/zinc/91/36/56/523913656.db2.gz PMSPBSRKZZOFRD-UHFFFAOYSA-N 1 0 298.434 2.785 20 70 CFIDRO CN(C(=O)c1cc2c(s1)CCCCC2)[C@@H](C[NH3+])C1CC1 ZINC000159871264 523924571 /nfs/dbraw/zinc/92/45/71/523924571.db2.gz QUUCNGVLYCVJLV-ZDUSSCGKSA-N 1 0 292.448 2.826 20 70 CFIDRO COCCOCCCC[NH2+]Cc1cccc2cc[nH]c21 ZINC000218171418 523991858 /nfs/dbraw/zinc/99/18/58/523991858.db2.gz NEHJFWVRERUDAL-UHFFFAOYSA-N 1 0 276.380 2.701 20 70 CFIDRO Cc1cccc(/C=C/C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000161403176 524151768 /nfs/dbraw/zinc/15/17/68/524151768.db2.gz UPSOLPBZXFUEMD-NBWZEKGRSA-N 1 0 284.403 2.750 20 70 CFIDRO Cc1ccc(C)c(OCCC[N@@H+](C)[C@@H](CN)C2CC2)c1 ZINC000159989383 524173479 /nfs/dbraw/zinc/17/34/79/524173479.db2.gz CVNZKIXWSUEQID-INIZCTEOSA-N 1 0 276.424 2.741 20 70 CFIDRO Cc1cccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c1 ZINC000161400170 524396442 /nfs/dbraw/zinc/39/64/42/524396442.db2.gz HGANFDYMHNGRSF-INIZCTEOSA-N 1 0 296.418 2.912 20 70 CFIDRO Cc1cc(C[NH2+]CCc2cccc3cccnc32)n(C)n1 ZINC000159407914 524755807 /nfs/dbraw/zinc/75/58/07/524755807.db2.gz QGYGAJQTTMEFDC-UHFFFAOYSA-N 1 0 280.375 2.609 20 70 CFIDRO Cc1cccc([C@@H](C)C(=O)NCC[NH+]2CCCCC2)c1 ZINC000159892003 524815115 /nfs/dbraw/zinc/81/51/15/524815115.db2.gz YPIYWGQUKVDMAJ-OAHLLOKOSA-N 1 0 274.408 2.701 20 70 CFIDRO Cc1cccc([C@@H](C)CNC(=O)[C@@H]([NH3+])CC(C)C)c1 ZINC000160738173 524819741 /nfs/dbraw/zinc/81/97/41/524819741.db2.gz KCMHFOKCLFCNNJ-ZFWWWQNUSA-N 1 0 262.397 2.588 20 70 CFIDRO C[C@@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2)CC[C@@H]1O ZINC000159403802 524999981 /nfs/dbraw/zinc/99/99/81/524999981.db2.gz NBDPUOWZONHXKE-MFKMUULPSA-N 1 0 273.298 2.908 20 70 CFIDRO C[C@H]([NH2+]C[C@H](C1CCCCC1)N(C)C)C1CCOCC1 ZINC000160425194 525403366 /nfs/dbraw/zinc/40/33/66/525403366.db2.gz CYQPIGQAAMNVPD-WMLDXEAASA-N 1 0 282.472 2.902 20 70 CFIDRO C[C@H]([NH2+]C[C@H]1CC(=O)Nc2ccccc21)c1cncc(F)c1 ZINC000160682242 525411862 /nfs/dbraw/zinc/41/18/62/525411862.db2.gz HNAPIQNQNGUGHD-WCQYABFASA-N 1 0 299.349 2.997 20 70 CFIDRO C[C@@H]([NH2+]Cc1cc(F)cc(Cl)c1)C(=O)N1CCCC1 ZINC000160981419 525514513 /nfs/dbraw/zinc/51/45/13/525514513.db2.gz SIRAWLKURVXGPE-SNVBAGLBSA-N 1 0 284.762 2.580 20 70 CFIDRO C[C@@H]([NH2+]Cc1ccc(CN2CCOCC2)cc1)C1(C)CC1 ZINC000160621796 525521519 /nfs/dbraw/zinc/52/15/19/525521519.db2.gz QIZYYWMDGHPMER-OAHLLOKOSA-N 1 0 288.435 2.797 20 70 CFIDRO C[C@H]([NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)c1cccnc1 ZINC000160883549 525591469 /nfs/dbraw/zinc/59/14/69/525591469.db2.gz RLTYWAVCIVHTDW-MYPMTAMASA-N 1 0 260.381 2.936 20 70 CFIDRO C[C@H](N[C@H]1CCC[N@@H+](C2CCCCC2)C1)c1cnccn1 ZINC000160068927 525607527 /nfs/dbraw/zinc/60/75/27/525607527.db2.gz GVIZRONYJSYLBA-GJZGRUSLSA-N 1 0 288.439 2.924 20 70 CFIDRO C[C@H](O)C[N@H+](Cc1cnc2ccccn12)C1CCCCC1 ZINC000159589678 525746736 /nfs/dbraw/zinc/74/67/36/525746736.db2.gz CWMNIEHOEJIXNU-AWEZNQCLSA-N 1 0 287.407 2.850 20 70 CFIDRO Cc1csc(CCCC[NH2+][C@@H](C)[C@@H]2CCOC2)n1 ZINC000160651490 526338923 /nfs/dbraw/zinc/33/89/23/526338923.db2.gz RUZIJQAOQBLWFQ-QWHCGFSZSA-N 1 0 268.426 2.789 20 70 CFIDRO c1cc([C@@H]2CCC[N@H+]2CCOCC2CC2)cc2c1OCO2 ZINC000160460117 526435866 /nfs/dbraw/zinc/43/58/66/526435866.db2.gz HNTNWVSUOKNURF-HNNXBMFYSA-N 1 0 289.375 2.979 20 70 CFIDRO c1coc([C@H]2CN(CCC[NH+]3CCCCC3)CCO2)c1 ZINC000161499501 526571381 /nfs/dbraw/zinc/57/13/81/526571381.db2.gz ULQJMEKYEHRBBY-MRXNPFEDSA-N 1 0 278.396 2.529 20 70 CFIDRO O=C(CSC(F)(F)F)NCC[NH2+]C1CCCCCC1 ZINC000159636906 527010228 /nfs/dbraw/zinc/01/02/28/527010228.db2.gz GUFOEGBQFUBMGZ-UHFFFAOYSA-N 1 0 298.374 2.668 20 70 CFIDRO O=C(C[C@@H]1CCC[NH2+]1)N[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000159449983 527117632 /nfs/dbraw/zinc/11/76/32/527117632.db2.gz ILTUJCQBTGRQRL-YESZJQIVSA-N 1 0 286.419 2.656 20 70 CFIDRO O=C(C[C@@H]1CCC[NH2+]1)N[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000159450130 527117698 /nfs/dbraw/zinc/11/76/98/527117698.db2.gz ILTUJCQBTGRQRL-IXDOHACOSA-N 1 0 286.419 2.656 20 70 CFIDRO Cc1nc2ccccn2c1C[NH+]1CCC(n2ccnc2)CC1 ZINC000160330303 527178062 /nfs/dbraw/zinc/17/80/62/527178062.db2.gz LRRTXQPKEXLIBY-UHFFFAOYSA-N 1 0 295.390 2.676 20 70 CFIDRO CC(C)C[C@@H](C)OCCC(=O)NCC1([NH3+])CCCCC1 ZINC000159728419 528275779 /nfs/dbraw/zinc/27/57/79/528275779.db2.gz FQUWWSVVVZPHIN-CQSZACIVSA-N 1 0 284.444 2.606 20 70 CFIDRO CC(C)[N@H+](CCOCC(F)(F)F)CCc1nccs1 ZINC000159748743 528911152 /nfs/dbraw/zinc/91/11/52/528911152.db2.gz JRHBNSGMSYGJHE-UHFFFAOYSA-N 1 0 296.358 2.975 20 70 CFIDRO CCC([NH3+])(CC)CNC(=O)c1cc(-c2ccccc2)on1 ZINC000160454658 528946712 /nfs/dbraw/zinc/94/67/12/528946712.db2.gz UARHHITUYYHPRN-UHFFFAOYSA-N 1 0 287.363 2.589 20 70 CFIDRO CC(C)[C@H](CC1CCCC1)C(=O)N1CCC[NH2+]CC1 ZINC000160843700 528980629 /nfs/dbraw/zinc/98/06/29/528980629.db2.gz ACTNBTMPOJEZTJ-HNNXBMFYSA-N 1 0 266.429 2.661 20 70 CFIDRO CC[C@@H]1CCC[C@@H](NC(=O)N2CCC[N@H+](CC)CC2)C1 ZINC000159894628 529303877 /nfs/dbraw/zinc/30/38/77/529303877.db2.gz WEJCGXJPTVUPAK-HUUCEWRRSA-N 1 0 281.444 2.692 20 70 CFIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](CC(C)C)c1ccccn1)CC2 ZINC000160324065 282119143 /nfs/dbraw/zinc/11/91/43/282119143.db2.gz YWJSOMDVLDJQSG-GOEBONIOSA-N 1 0 299.422 2.673 20 70 CFIDRO CCc1cc(=O)[nH]c(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)n1 ZINC000160583736 529565132 /nfs/dbraw/zinc/56/51/32/529565132.db2.gz JXCGOQWREGNEEW-OCCSQVGLSA-N 1 0 275.396 2.899 20 70 CFIDRO Cc1cc(C)cc(C[C@H](C)NC(=O)CC2CC[NH2+]CC2)c1 ZINC000161348698 232251274 /nfs/dbraw/zinc/25/12/74/232251274.db2.gz JPASQDINMFZBTA-HNNXBMFYSA-N 1 0 288.435 2.740 20 70 CFIDRO CC(C)[NH2+]CCC(=O)NC[C@H](C)c1ccc(F)cc1F ZINC000159492908 348012395 /nfs/dbraw/zinc/01/23/95/348012395.db2.gz NCRDPAVGTLTPNS-NSHDSACASA-N 1 0 284.350 2.573 20 70 CFIDRO C[C@@H](Cc1ccccc1F)C(=O)N1CCC([NH+](C)C)CC1 ZINC000159538332 348013145 /nfs/dbraw/zinc/01/31/45/348013145.db2.gz AOZBMKBZXQMIFG-ZDUSSCGKSA-N 1 0 292.398 2.557 20 70 CFIDRO CC(C)[NH2+]CCC(=O)NCCOc1ccccc1C(C)C ZINC000159840362 348015263 /nfs/dbraw/zinc/01/52/63/348015263.db2.gz XLPMKPVQANFAKA-UHFFFAOYSA-N 1 0 292.423 2.693 20 70 CFIDRO CC[C@@H](C)N(C)CC[NH2+][C@@H](C)Cc1ccc(OC)cc1 ZINC000160065777 348016053 /nfs/dbraw/zinc/01/60/53/348016053.db2.gz BDNSVLAEGWZYAE-LSDHHAIUSA-N 1 0 278.440 2.946 20 70 CFIDRO CCSCC[C@H](C)NC(=O)c1cccc2c1CC[NH2+]C2 ZINC000160217480 348017109 /nfs/dbraw/zinc/01/71/09/348017109.db2.gz JVXSQZWQVJQFIJ-LBPRGKRZSA-N 1 0 292.448 2.594 20 70 CFIDRO Cc1cccc(C(C)(C)NC(=O)CC[NH2+]C(C)C)c1 ZINC000161162155 348023536 /nfs/dbraw/zinc/02/35/36/348023536.db2.gz HBWAANKQTDFAHI-UHFFFAOYSA-N 1 0 262.397 2.734 20 70 CFIDRO CC[C@@H](C)N(C)CC[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000217749168 348165200 /nfs/dbraw/zinc/16/52/00/348165200.db2.gz BTQXNTMWCCMKBA-CYBMUJFWSA-N 1 0 259.397 2.988 20 70 CFIDRO CCC[N@H+](CC)CCN[C@H]1CCCc2cccnc21 ZINC000217704370 539663039 /nfs/dbraw/zinc/66/30/39/539663039.db2.gz DSFAAUMADCDQRL-HNNXBMFYSA-N 1 0 261.413 2.781 20 70 CFIDRO C[N@H+](CCCCS(C)(=O)=O)Cc1cccc(Cl)c1 ZINC000161178631 539830504 /nfs/dbraw/zinc/83/05/04/539830504.db2.gz JGVVSVCZDULJPN-UHFFFAOYSA-N 1 0 289.828 2.597 20 70 CFIDRO C[C@H]([NH2+][C@@H]1CCCSC1)c1ccc([S@@](C)=O)cc1 ZINC000159605355 188434247 /nfs/dbraw/zinc/43/42/47/188434247.db2.gz LDZYBQBCBQKDLM-SRBZOADZSA-N 1 0 283.462 2.970 20 70 CFIDRO OCC[NH2+][C@H](CCc1ccccc1)c1ccccc1 ZINC000159703802 188436941 /nfs/dbraw/zinc/43/69/41/188436941.db2.gz VAZSSHNQCCXJQD-QGZVFWFLSA-N 1 0 255.361 2.942 20 70 CFIDRO CC[NH+](CC)[C@H](C)CNC(=O)[C@@H](C)c1cccs1 ZINC000160070764 188453690 /nfs/dbraw/zinc/45/36/90/188453690.db2.gz FHGBWIRABUPSGO-NEPJUHHUSA-N 1 0 268.426 2.698 20 70 CFIDRO C[NH2+]C[C@H](C)C(=O)NCC1(c2cccs2)CCCCC1 ZINC000160496627 188476215 /nfs/dbraw/zinc/47/62/15/188476215.db2.gz QXVBJAOUXGCEQY-ZDUSSCGKSA-N 1 0 294.464 2.922 20 70 CFIDRO CCC([NH3+])(CC)CNC(=O)CCOc1cccc(C)c1C ZINC000160550926 188480610 /nfs/dbraw/zinc/48/06/10/188480610.db2.gz UMZBJSJUPFQHTF-UHFFFAOYSA-N 1 0 292.423 2.706 20 70 CFIDRO C[C@@H](O)C(C)(C)[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000161153886 188511478 /nfs/dbraw/zinc/51/14/78/188511478.db2.gz DKYKYBCZBCNDMF-LLVKDONJSA-N 1 0 263.381 2.649 20 70 CFIDRO CCCn1nccc1C[NH2+]CCCN(C)c1ccccc1 ZINC000159958350 540665810 /nfs/dbraw/zinc/66/58/10/540665810.db2.gz ZVUDDIXUKOEBJC-UHFFFAOYSA-N 1 0 286.423 2.909 20 70 CFIDRO CCCn1nccc1C[NH2+][C@@H](C)c1cccc(O)c1 ZINC000160084250 540668041 /nfs/dbraw/zinc/66/80/41/540668041.db2.gz UUHMBJFDOAFUQV-LBPRGKRZSA-N 1 0 259.353 2.850 20 70 CFIDRO CCCn1nccc1C[NH2+]CCOC1CCCCC1 ZINC000160147795 540669135 /nfs/dbraw/zinc/66/91/35/540669135.db2.gz TXMYITVNWNMKQS-UHFFFAOYSA-N 1 0 265.401 2.732 20 70 CFIDRO CCCn1nccc1C[NH2+]CCc1cc(F)cc(F)c1 ZINC000160136735 540669394 /nfs/dbraw/zinc/66/93/94/540669394.db2.gz FXHNNBNMANNLGT-UHFFFAOYSA-N 1 0 279.334 2.904 20 70 CFIDRO [NH3+][C@H]1CCC[C@H](NC(=O)CCc2cc(Cl)cs2)C1 ZINC000160804355 540679979 /nfs/dbraw/zinc/67/99/79/540679979.db2.gz MEBSYIGZVFIWCA-QWRGUYRKSA-N 1 0 286.828 2.720 20 70 CFIDRO Cc1ccc(-c2ocnc2C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000160982217 540685312 /nfs/dbraw/zinc/68/53/12/540685312.db2.gz VKGXYSCHUUWRRL-UONOGXRCSA-N 1 0 299.374 2.650 20 70 CFIDRO COc1ccccc1[C@H](C)CC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161056533 540687590 /nfs/dbraw/zinc/68/75/90/540687590.db2.gz OWDDPOAPEAFTIB-HZSPNIEDSA-N 1 0 290.407 2.575 20 70 CFIDRO COc1ccccc1[C@H](C)CC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161056770 540687610 /nfs/dbraw/zinc/68/76/10/540687610.db2.gz OWDDPOAPEAFTIB-RDBSUJKOSA-N 1 0 290.407 2.575 20 70 CFIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)CCc2ccc(Cl)s2)C1 ZINC000161081978 540688326 /nfs/dbraw/zinc/68/83/26/540688326.db2.gz YJYBEDJUEFYGLR-ZJUUUORDSA-N 1 0 286.828 2.720 20 70 CFIDRO CCC(CC)c1cc(CNC(=O)[C@H]([NH3+])CC(C)C)on1 ZINC000161108466 540688490 /nfs/dbraw/zinc/68/84/90/540688490.db2.gz KUTZSASVAVLJAN-CYBMUJFWSA-N 1 0 281.400 2.568 20 70 CFIDRO CCO[C@H]1C[C@H](NC(=O)CC2([NH3+])CCC2)C12CCCCC2 ZINC000161182273 540690444 /nfs/dbraw/zinc/69/04/44/540690444.db2.gz QVNMFQLHSJATKU-KBPBESRZSA-N 1 0 294.439 2.502 20 70 CFIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2cc3ccccc3s2)C1 ZINC000161138135 540689274 /nfs/dbraw/zinc/68/92/74/540689274.db2.gz ZCBKOTBLRUTZDM-VXGBXAGGSA-N 1 0 274.389 2.901 20 70 CFIDRO c1[nH]nc2cc(C[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCC4)ccc12 ZINC000159587232 541000306 /nfs/dbraw/zinc/00/03/06/541000306.db2.gz LEUBWPOXSTUWPG-BMFZPTHFSA-N 1 0 283.375 2.610 20 70 CFIDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@@H](C)c1ccncc1 ZINC000160251766 541410069 /nfs/dbraw/zinc/41/00/69/541410069.db2.gz VBXGYGUEBPYLRO-GDBMZVCRSA-N 1 0 289.423 2.566 20 70 CFIDRO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CC(C)(C)O ZINC000160626347 541443752 /nfs/dbraw/zinc/44/37/52/541443752.db2.gz LTDIJBAJGFIUFL-SNVBAGLBSA-N 1 0 291.420 2.935 20 70 CFIDRO CC(C)NC(=O)C[NH2+][C@@H]1CCSc2c(Cl)cccc21 ZINC000160991865 541513172 /nfs/dbraw/zinc/51/31/72/541513172.db2.gz YKPWXBYWKLAUJO-GFCCVEGCSA-N 1 0 298.839 2.991 20 70 CFIDRO CC(C)(C)CC(C)(C)[NH2+]CCCCS(C)(=O)=O ZINC000161489622 541654866 /nfs/dbraw/zinc/65/48/66/541654866.db2.gz IMUFGZIGWNSCIY-UHFFFAOYSA-N 1 0 263.447 2.616 20 70 CFIDRO COc1cccc(CCC[N@H+](C)C[C@H]2CCC[C@@H]2O)c1 ZINC000159866445 378735325 /nfs/dbraw/zinc/73/53/25/378735325.db2.gz ZGQGWCMXBDSYLO-WBVHZDCISA-N 1 0 277.408 2.721 20 70 CFIDRO CC(C)Oc1ccc(CN[C@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cn1 ZINC000160065457 378746856 /nfs/dbraw/zinc/74/68/56/378746856.db2.gz GSMKIWLYLZYKAP-FMKPAKJESA-N 1 0 291.439 2.687 20 70 CFIDRO C[N@H+](Cc1ccc(C(=O)OC(C)(C)C)cc1)[C@@H]1CCOC1 ZINC000160066622 378746902 /nfs/dbraw/zinc/74/69/02/378746902.db2.gz NLYCVRJDHNCLNH-OAHLLOKOSA-N 1 0 291.391 2.863 20 70 CFIDRO COC[C@@H]([NH2+]Cc1ccc(OC(C)C)nc1)C(C)C ZINC000160088434 378747180 /nfs/dbraw/zinc/74/71/80/378747180.db2.gz ZNSUQHGQMBYTTE-CQSZACIVSA-N 1 0 266.385 2.629 20 70 CFIDRO CCC[C@@H]([NH3+])C(=O)N1CCC[C@@](C)(c2ccccc2)C1 ZINC000160104564 378748199 /nfs/dbraw/zinc/74/81/99/378748199.db2.gz IBZDURDEMMPUNE-NVXWUHKLSA-N 1 0 274.408 2.694 20 70 CFIDRO CC[N@H+](CCNC(=O)c1ccc(F)c(SC)c1)C1CC1 ZINC000160148354 378751601 /nfs/dbraw/zinc/75/16/01/378751601.db2.gz QRGYSHDMCLNYDP-UHFFFAOYSA-N 1 0 296.411 2.762 20 70 CFIDRO CCNC(=O)c1cccc(C[NH2+][C@@H](C)[C@H](C)CC)c1 ZINC000160160863 378751877 /nfs/dbraw/zinc/75/18/77/378751877.db2.gz CQURXAOVJTTWHF-OLZOCXBDSA-N 1 0 262.397 2.961 20 70 CFIDRO CCCC[C@H](COC)[NH2+]Cc1cccc(C(=O)NCC)c1 ZINC000160186373 378753526 /nfs/dbraw/zinc/75/35/26/378753526.db2.gz HJTAFKWXPVKFTG-MRXNPFEDSA-N 1 0 292.423 2.731 20 70 CFIDRO CCCCC[C@H](C)NC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000160179202 378754354 /nfs/dbraw/zinc/75/43/54/378754354.db2.gz VZNUYFHPEKNEIO-QDEZUTFSSA-N 1 0 296.455 2.604 20 70 CFIDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc3nc(C)ccc3c2)C1 ZINC000159547457 378715815 /nfs/dbraw/zinc/71/58/15/378715815.db2.gz RBDAQUDCXRGREH-AWEZNQCLSA-N 1 0 297.402 2.615 20 70 CFIDRO Cc1ccc([C@H](C)[NH2+]CCCN2CCCC2=O)cc1 ZINC000159575670 378717574 /nfs/dbraw/zinc/71/75/74/378717574.db2.gz UBHJYEJICLXYNS-AWEZNQCLSA-N 1 0 260.381 2.658 20 70 CFIDRO CN(C)[C@H](C[NH2+]Cc1cc(F)cc(F)c1)c1ccco1 ZINC000159581566 378718911 /nfs/dbraw/zinc/71/89/11/378718911.db2.gz BOBDKNRTQOHCII-CQSZACIVSA-N 1 0 280.318 2.950 20 70 CFIDRO CC[C@H](COC)[NH2+][C@@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC000159612326 378720345 /nfs/dbraw/zinc/72/03/45/378720345.db2.gz HRABSWQEOAQVOY-GXTWGEPZSA-N 1 0 299.436 2.556 20 70 CFIDRO CC(C)OCCN1CCO[C@]2(CCc3ccccc32)C1 ZINC000159604796 378720461 /nfs/dbraw/zinc/72/04/61/378720461.db2.gz QFNSECCYPRAZAM-QGZVFWFLSA-N 1 0 275.392 2.585 20 70 CFIDRO Cc1ccc([C@@H](C)CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000159657547 378722464 /nfs/dbraw/zinc/72/24/64/378722464.db2.gz RMFCKQAYUQMTAD-BPUTZDHNSA-N 1 0 274.408 2.732 20 70 CFIDRO Cc1c2ccccc2oc1[C@@H](NC(=O)[C@@H](C)[NH3+])C(C)C ZINC000159696193 378724963 /nfs/dbraw/zinc/72/49/63/378724963.db2.gz HEVHRLACGVYTRY-RISCZKNCSA-N 1 0 274.364 2.902 20 70 CFIDRO CCC[C@@H]([NH3+])C(=O)N[C@H]1CCC[C@@H]1c1ccccc1 ZINC000159721960 378726326 /nfs/dbraw/zinc/72/63/26/378726326.db2.gz MFVHNVDHLDAEBG-KFWWJZLASA-N 1 0 260.381 2.566 20 70 CFIDRO C[C@H]([NH2+]CCCc1cccc(F)c1)[C@H]1CCOC1 ZINC000159755418 378728766 /nfs/dbraw/zinc/72/87/66/378728766.db2.gz TVMAFEFMBOZSMB-JSGCOSHPSA-N 1 0 251.345 2.773 20 70 CFIDRO Cc1ccnc(N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000160214047 378756500 /nfs/dbraw/zinc/75/65/00/378756500.db2.gz MPAMMBBKWXKWHK-XJKSGUPXSA-N 1 0 282.391 2.717 20 70 CFIDRO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1CCn1ccnc1 ZINC000159837972 378733716 /nfs/dbraw/zinc/73/37/16/378733716.db2.gz NPVJFFULTYRVHH-DZGCQCFKSA-N 1 0 273.355 2.900 20 70 CFIDRO CSC[C@@H](CCO)[NH2+][C@@H]1CCCOc2ccc(C)cc21 ZINC000160275851 378760444 /nfs/dbraw/zinc/76/04/44/378760444.db2.gz JDKKXKGZPVVZEI-UKRRQHHQSA-N 1 0 295.448 2.912 20 70 CFIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(F)c1F ZINC000160511216 378777585 /nfs/dbraw/zinc/77/75/85/378777585.db2.gz NQSJMSFXXZVGKS-GFCCVEGCSA-N 1 0 296.361 2.815 20 70 CFIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccsc1 ZINC000160534184 378778884 /nfs/dbraw/zinc/77/88/84/378778884.db2.gz XGRBWPVLKPYOAK-CYBMUJFWSA-N 1 0 266.410 2.598 20 70 CFIDRO CC1(C)C[C@H]([NH2+]Cc2cccc(-n3cccn3)c2)CCO1 ZINC000160533227 378779250 /nfs/dbraw/zinc/77/92/50/378779250.db2.gz DCDZKWFVIYFBSQ-OAHLLOKOSA-N 1 0 285.391 2.920 20 70 CFIDRO NC(=O)c1c[nH+]ccc1N[C@H]1CCO[C@H](c2ccccc2)C1 ZINC000160550370 378780129 /nfs/dbraw/zinc/78/01/29/378780129.db2.gz NJBHLVLQAGHWIN-BBRMVZONSA-N 1 0 297.358 2.513 20 70 CFIDRO COc1ccc([C@H](C)CCNC(=O)[C@@H]([NH3+])C(C)(C)C)cc1 ZINC000160553368 378780881 /nfs/dbraw/zinc/78/08/81/378780881.db2.gz YUFWSBAHACCTPM-IUODEOHRSA-N 1 0 292.423 2.678 20 70 CFIDRO COc1ccc(C[N@@H+](CC(OC)OC)[C@H](C)C2CC2)cc1 ZINC000160669204 378789588 /nfs/dbraw/zinc/78/95/88/378789588.db2.gz TYFMAJJJTOVDIT-CYBMUJFWSA-N 1 0 293.407 2.915 20 70 CFIDRO [NH3+][C@H]1CC[C@@H](C(=O)Nc2ccc(F)cc2OCC2CC2)C1 ZINC000160677559 378791808 /nfs/dbraw/zinc/79/18/08/378791808.db2.gz XLJVKWKHANBTSF-YPMHNXCESA-N 1 0 292.354 2.680 20 70 CFIDRO COc1cccc([C@H](O)C[NH2+][C@@H](C)c2ccco2)c1 ZINC000160783711 378798214 /nfs/dbraw/zinc/79/82/14/378798214.db2.gz DUZDQQYBPNTQDK-SMDDNHRTSA-N 1 0 261.321 2.672 20 70 CFIDRO Cc1c(C[NH2+][C@H]2CCCOc3ccc(F)cc32)cnn1C ZINC000160790303 378798822 /nfs/dbraw/zinc/79/88/22/378798822.db2.gz TUBDFZHOJBINSN-HNNXBMFYSA-N 1 0 289.354 2.871 20 70 CFIDRO CC[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1ccc(F)cc1F ZINC000161201621 378829049 /nfs/dbraw/zinc/82/90/49/378829049.db2.gz NEAPDGIMRFDDCU-SMDDNHRTSA-N 1 0 282.334 2.626 20 70 CFIDRO CCC(CC)(C[NH3+])C(=O)Nc1cnn(-c2ccccc2)c1 ZINC000161195954 378829513 /nfs/dbraw/zinc/82/95/13/378829513.db2.gz MRAQRIHCZNGDAF-UHFFFAOYSA-N 1 0 286.379 2.576 20 70 CFIDRO CCC[N@H+](CCO)Cc1ccc(OC)c(OC(F)F)c1 ZINC000161216148 378830843 /nfs/dbraw/zinc/83/08/43/378830843.db2.gz LPRCYVLKXJLOFQ-UHFFFAOYSA-N 1 0 289.322 2.501 20 70 CFIDRO CCc1ccc(C(C)(C)CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000160867870 378805250 /nfs/dbraw/zinc/80/52/50/378805250.db2.gz GZOPLOCZLXXZPH-GOEBONIOSA-N 1 0 288.435 2.770 20 70 CFIDRO CC(C)NC(=O)C[NH2+][C@@H]1c2cccc(F)c2CC[C@@H]1C ZINC000160915044 378809956 /nfs/dbraw/zinc/80/99/56/378809956.db2.gz FCUCKEVGLNOIOF-ZBEGNZNMSA-N 1 0 278.371 2.563 20 70 CFIDRO C[C@H]([NH2+][C@H]1CCO[C@@]2(CCSC2)C1)c1cccnc1 ZINC000160918121 378810324 /nfs/dbraw/zinc/81/03/24/378810324.db2.gz OMVSSRYJXUBXEX-QEJZJMRPSA-N 1 0 278.421 2.787 20 70 CFIDRO CC(C)(C)Oc1ccccc1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000160945794 378811535 /nfs/dbraw/zinc/81/15/35/378811535.db2.gz KYIXHUYDMDTUQU-GFCCVEGCSA-N 1 0 276.380 2.802 20 70 CFIDRO O=C(CCC[NH2+]Cc1cc(F)cc(Cl)c1)NC1CC1 ZINC000160960147 378811621 /nfs/dbraw/zinc/81/16/21/378811621.db2.gz VMLOZAHCBVNYBJ-UHFFFAOYSA-N 1 0 284.762 2.628 20 70 CFIDRO C[C@H]([NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)c1ccncc1 ZINC000160949330 378812005 /nfs/dbraw/zinc/81/20/05/378812005.db2.gz XDTGKMKZAKVMHK-MYPMTAMASA-N 1 0 260.381 2.936 20 70 CFIDRO C[C@H]([NH3+])C(=O)N[C@@H](C)c1cccc(Cl)c1Cl ZINC000160985484 378813567 /nfs/dbraw/zinc/81/35/67/378813567.db2.gz NBARJVOQTJUJBK-BQBZGAKWSA-N 1 0 261.152 2.518 20 70 CFIDRO Cc1ccc(C(=O)CC[N@@H+](C)C[C@@H]2CCC[C@@H]2O)cc1 ZINC000161030701 378815940 /nfs/dbraw/zinc/81/59/40/378815940.db2.gz CXTCKACKXZJQKI-HOTGVXAUSA-N 1 0 275.392 2.661 20 70 CFIDRO CCCC[C@H](COC)[NH2+][C@H](CCO)c1ccccc1 ZINC000161046331 378817744 /nfs/dbraw/zinc/81/77/44/378817744.db2.gz JEVNINMDNOVJNF-HZPDHXFCSA-N 1 0 265.397 2.905 20 70 CFIDRO Cc1ccc([C@@H](C)C[NH2+][C@H](C(N)=O)c2ccccc2)cc1 ZINC000161051203 378818536 /nfs/dbraw/zinc/81/85/36/378818536.db2.gz XLARHNCQQOPUAI-YOEHRIQHSA-N 1 0 282.387 2.915 20 70 CFIDRO C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000161047517 378818589 /nfs/dbraw/zinc/81/85/89/378818589.db2.gz TZOXYRDHWCTASB-XPKDYRNWSA-N 1 0 290.382 2.735 20 70 CFIDRO CC(C)C[C@H]([NH3+])C(=O)NC[C@@H](C)Oc1ccc(Cl)cc1 ZINC000161133119 378824277 /nfs/dbraw/zinc/82/42/77/378824277.db2.gz DGHSCGCWALJATG-RISCZKNCSA-N 1 0 298.814 2.597 20 70 CFIDRO C[C@@H]([NH2+]CCCc1nnc2n1CCCCC2)c1ccco1 ZINC000161169798 378828230 /nfs/dbraw/zinc/82/82/30/378828230.db2.gz ZIFMPBDJPRIIRZ-CYBMUJFWSA-N 1 0 288.395 2.881 20 70 CFIDRO CCC[C@H](C(=O)N[C@H]1CCc2ccccc21)[NH+](C)C ZINC000161346453 378841635 /nfs/dbraw/zinc/84/16/35/378841635.db2.gz SOAOSLCAZKTZQQ-LSDHHAIUSA-N 1 0 260.381 2.520 20 70 CFIDRO CC[C@H](COC)[NH2+]CC1(c2ccc(F)cc2)CC1 ZINC000161375841 378842702 /nfs/dbraw/zinc/84/27/02/378842702.db2.gz PXEQQBQATSNQFQ-CQSZACIVSA-N 1 0 251.345 2.872 20 70 CFIDRO CN(Cc1cc2ccccc2o1)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000161413884 378844758 /nfs/dbraw/zinc/84/47/58/378844758.db2.gz QIMODDQJTWDESI-OLZOCXBDSA-N 1 0 272.348 2.519 20 70 CFIDRO CC(=O)NC1CCC([NH2+]CCc2cc(F)cc(F)c2)CC1 ZINC000161412853 378844768 /nfs/dbraw/zinc/84/47/68/378844768.db2.gz WZPOGFQMOYMFEY-UHFFFAOYSA-N 1 0 296.361 2.544 20 70 CFIDRO COc1ccc(OC)c(CC[NH2+][C@H](C)C(C)C)c1 ZINC000161414467 378844784 /nfs/dbraw/zinc/84/47/84/378844784.db2.gz XQYQNLMHDGVNNL-GFCCVEGCSA-N 1 0 251.370 2.880 20 70 CFIDRO C[C@H](c1ccccn1)N(C)CCC[NH+]1CCCCC1 ZINC000161460901 378849285 /nfs/dbraw/zinc/84/92/85/378849285.db2.gz ZUWJFMJWAXTVNU-OAHLLOKOSA-N 1 0 261.413 2.950 20 70 CFIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC=CCC1 ZINC000160505578 322339148 /nfs/dbraw/zinc/33/91/48/322339148.db2.gz LBDDWUHCKWRPIW-LSDHHAIUSA-N 1 0 264.413 2.579 20 70 CFIDRO CC[C@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1c(C)nn(C)c1C ZINC000160654136 322340996 /nfs/dbraw/zinc/34/09/96/322340996.db2.gz VADXLIFJKRKJQA-ILXRZTDVSA-N 1 0 279.428 2.629 20 70 CFIDRO CC[C@@H](C(=O)Nc1nc(C(C)C)cs1)[NH+](C)C ZINC000160848426 322343936 /nfs/dbraw/zinc/34/39/36/322343936.db2.gz XRDRKPBNXDMZHI-JTQLQIEISA-N 1 0 255.387 2.545 20 70 CFIDRO CC[C@H]1CO[C@@H](C)C[N@@H+]1C[C@@H](O)c1cc2ccccc2o1 ZINC000216972046 382785244 /nfs/dbraw/zinc/78/52/44/382785244.db2.gz RSZWYTFDHSCRNK-AEGPPILISA-N 1 0 289.375 2.966 20 70 CFIDRO CC[C@H](C)[N@H+](C)CCNCc1c(C)nc2sc(C)cn12 ZINC000217397840 382786146 /nfs/dbraw/zinc/78/61/46/382786146.db2.gz KIPGDTOWJKTEGO-NSHDSACASA-N 1 0 294.468 2.833 20 70 CFIDRO CC[C@H](C)[N@H+](C)CCNC(=O)Nc1ccc(C(C)=O)cc1 ZINC000217402375 382786338 /nfs/dbraw/zinc/78/63/38/382786338.db2.gz YZYKWBLKPOCNTG-LBPRGKRZSA-N 1 0 291.395 2.741 20 70 CFIDRO CC[C@@H](C)[N@H+](C)CCNCc1cccc(OC)c1OC ZINC000217382794 382786494 /nfs/dbraw/zinc/78/64/94/382786494.db2.gz AOKXNJYFELTEMT-CYBMUJFWSA-N 1 0 280.412 2.524 20 70 CFIDRO CC[N@@H+](Cc1ccncc1)C[C@H](O)c1ccccc1F ZINC000218153531 382789571 /nfs/dbraw/zinc/78/95/71/382789571.db2.gz XCBJZKAIOAEHDR-INIZCTEOSA-N 1 0 274.339 2.776 20 70 CFIDRO C[C@H](CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccc(F)cc1 ZINC000160656613 533646222 /nfs/dbraw/zinc/64/62/22/533646222.db2.gz DZIQUAZSSKBIBR-WQVCFCJDSA-N 1 0 290.382 2.672 20 70 CFIDRO CCN(C)C(=O)C[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000217350679 130760502 /nfs/dbraw/zinc/76/05/02/130760502.db2.gz CTEUMWFGVSAGJI-OAHLLOKOSA-N 1 0 285.391 2.613 20 70 CFIDRO C[C@@H](c1ccccc1F)N1CCC[C@@H]([NH+](C)C)C1 ZINC000217139420 393757126 /nfs/dbraw/zinc/75/71/26/393757126.db2.gz ZXFWBBOKZQQAME-QWHCGFSZSA-N 1 0 250.361 2.913 20 70 CFIDRO COCC[N@@H+]1CC[C@H](c2cccc(Br)c2)C1 ZINC000217246784 393757210 /nfs/dbraw/zinc/75/72/10/393757210.db2.gz BPBSNVAIMLPYDD-LBPRGKRZSA-N 1 0 284.197 2.885 20 70 CFIDRO CC[C@@H]1CCCC[C@H]1NC(=O)N1CCC[N@H+](CC)CC1 ZINC000159684007 394365742 /nfs/dbraw/zinc/36/57/42/394365742.db2.gz AZYBOBZZGIEEOF-HUUCEWRRSA-N 1 0 281.444 2.692 20 70 CFIDRO CCC([NH3+])(CC)CNC(=O)/C=C/c1cc(C)ccc1OC ZINC000160513442 394366349 /nfs/dbraw/zinc/36/63/49/394366349.db2.gz DVVBOLALQMRZMK-CSKARUKUSA-N 1 0 290.407 2.651 20 70 CFIDRO CCC[C@H](C)[C@@H](CC)[NH2+][C@@H]1CCc2nc(C)nn2C1 ZINC000160468999 394366609 /nfs/dbraw/zinc/36/66/09/394366609.db2.gz UMEGXYUYRPPMQN-IACUBPJLSA-N 1 0 264.417 2.706 20 70 CFIDRO CN(C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)C1CCCCC1 ZINC000160909858 394366939 /nfs/dbraw/zinc/36/69/39/394366939.db2.gz GEBSJZQDZGCJAG-CQSZACIVSA-N 1 0 293.455 2.977 20 70 CFIDRO CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)C[C@H]1CCC[NH2+]1 ZINC000161385787 394367187 /nfs/dbraw/zinc/36/71/87/394367187.db2.gz XRBMSHORXHVCBE-SJORKVTESA-N 1 0 288.435 2.917 20 70 CFIDRO C[C@@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1cscn1 ZINC000218249198 397620602 /nfs/dbraw/zinc/62/06/02/397620602.db2.gz QGDRFSKMSNCXGD-GHMZBOCLSA-N 1 0 297.424 2.803 20 70 CFIDRO CC(C)C[NH2+]CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000218099922 397620702 /nfs/dbraw/zinc/62/07/02/397620702.db2.gz QBNIPFQCYLEDRD-CYBMUJFWSA-N 1 0 270.417 2.879 20 70 CFIDRO CCn1cnnc1CN[C@H](C)c1ccc(Cl)c(F)c1 ZINC000218231359 397621159 /nfs/dbraw/zinc/62/11/59/397621159.db2.gz JUVCDBLBTUOGGD-SECBINFHSA-N 1 0 282.750 2.941 20 70 CFIDRO CS[C@@H]1CCC[C@@H]([NH2+]C2CCC(NC(C)=O)CC2)C1 ZINC000161503047 286694170 /nfs/dbraw/zinc/69/41/70/286694170.db2.gz AJNOYXOQSFZMPP-NEXFUWMNSA-N 1 0 284.469 2.698 20 70 CFIDRO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000217822129 277795683 /nfs/dbraw/zinc/79/56/83/277795683.db2.gz BSGUNXXTIPEOHU-KBXIAJHMSA-N 1 0 266.429 2.563 20 70 CFIDRO CC1(C)CCC(C[NH+]2CCC(CC(N)=O)CC2)CC1 ZINC000159779627 278195770 /nfs/dbraw/zinc/19/57/70/278195770.db2.gz CRPMXKKKZSMATG-UHFFFAOYSA-N 1 0 266.429 2.790 20 70 CFIDRO C[C@H]1Cc2ccccc2[C@H]1[NH2+]CCCN1CCCC1=O ZINC000159505565 278506797 /nfs/dbraw/zinc/50/67/97/278506797.db2.gz TVMOSBLRVRJDQE-GUYCJALGSA-N 1 0 272.392 2.522 20 70 CFIDRO CC[C@@H](C)[NH2+][C@H](CN1CCCC1=O)c1ccccc1 ZINC000160738989 280112165 /nfs/dbraw/zinc/11/21/65/280112165.db2.gz RRHQBVMUSFUEMP-UKRRQHHQSA-N 1 0 260.381 2.738 20 70 CFIDRO C[C@H](C[NH2+][C@@H](C)C1CCOCC1)N1CCc2ccccc21 ZINC000159940003 289689124 /nfs/dbraw/zinc/68/91/24/289689124.db2.gz QZYWARSMORDAOR-CABCVRRESA-N 1 0 288.435 2.842 20 70 CFIDRO COC[C@H](C)[NH2+][C@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000161043493 293036583 /nfs/dbraw/zinc/03/65/83/293036583.db2.gz YAUZIIIYKIHCEK-LRDDRELGSA-N 1 0 279.380 2.779 20 70 CFIDRO [NH3+]CCCNC(=O)[C@]1(Cc2ccccc2)C[C@H]2CC[C@@H]1C2 ZINC000160065543 303379678 /nfs/dbraw/zinc/37/96/78/303379678.db2.gz XBKJLJBNJHYHLP-LZLYRXPVSA-N 1 0 286.419 2.501 20 70 CFIDRO CC(C)CC[C@](C)(O)C[NH2+][C@H](C)CC1CCOCC1 ZINC000159443364 322322688 /nfs/dbraw/zinc/32/26/88/322322688.db2.gz JLFSNPJDDJHQQF-ZBFHGGJFSA-N 1 0 271.445 2.968 20 70 CFIDRO COc1cccc(C[C@H]([NH2+]CCO)c2ccccc2)c1 ZINC000159684464 322326717 /nfs/dbraw/zinc/32/67/17/322326717.db2.gz KIEKTUPKWJMEKZ-KRWDZBQOSA-N 1 0 271.360 2.561 20 70 CFIDRO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]21)N1CCCCCC1 ZINC000159684271 322326869 /nfs/dbraw/zinc/32/68/69/322326869.db2.gz AQQZBLAUGPVVMK-GJZGRUSLSA-N 1 0 264.413 2.654 20 70 CFIDRO CC(C)[N@H+](CCc1nccs1)Cc1ccncc1 ZINC000159855139 322329195 /nfs/dbraw/zinc/32/91/95/322329195.db2.gz MMYCXJGZKWWNMQ-UHFFFAOYSA-N 1 0 261.394 2.991 20 70 CFIDRO CCCn1c(C)nnc1CN1CCS[C@@H](C(C)C)C1 ZINC000159977754 322330855 /nfs/dbraw/zinc/33/08/55/322330855.db2.gz FTMFQNGYZRGBQB-CYBMUJFWSA-N 1 0 282.457 2.570 20 70 CFIDRO CCCC[N@H+](C)CCNC(=O)[C@H](C)c1ccsc1 ZINC000159952434 322331019 /nfs/dbraw/zinc/33/10/19/322331019.db2.gz SWHFZJCYSXNKNR-GFCCVEGCSA-N 1 0 268.426 2.700 20 70 CFIDRO C/C(=C\c1ccc(Cl)cc1)C[NH2+]C[C@@H](C)CO ZINC000160120348 322333047 /nfs/dbraw/zinc/33/30/47/322333047.db2.gz SQHBZSUTCKOUPO-YTRUQHMWSA-N 1 0 253.773 2.961 20 70 CFIDRO Cc1ccc([C@H](CNC(=O)NC2(C)CCC2)[NH+](C)C)cc1 ZINC000160213223 322334759 /nfs/dbraw/zinc/33/47/59/322334759.db2.gz TYIOSIPSNUIXGI-HNNXBMFYSA-N 1 0 289.423 2.840 20 70 CFIDRO CC[N@H+](CC(=O)NCc1ccc(F)cc1)CC(C)(C)C ZINC000160238017 322335028 /nfs/dbraw/zinc/33/50/28/322335028.db2.gz RCFRBUXZXKTONT-UHFFFAOYSA-N 1 0 280.387 2.810 20 70 CFIDRO CC[C@@H](COC)[NH2+]C[C@H](CC)Oc1ccccc1F ZINC000160334569 322336128 /nfs/dbraw/zinc/33/61/28/322336128.db2.gz WFGJNLSADLUECE-STQMWFEESA-N 1 0 269.360 2.998 20 70 CFIDRO Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)cc1 ZINC000160399600 322337290 /nfs/dbraw/zinc/33/72/90/322337290.db2.gz VFTKPJAYAMKZRQ-MRXNPFEDSA-N 1 0 274.408 2.845 20 70 CFIDRO CCCn1cc(CN(CCOC)Cc2ccccc2)cn1 ZINC000160446261 322337983 /nfs/dbraw/zinc/33/79/83/322337983.db2.gz GNGUUEDWWUBZLC-UHFFFAOYSA-N 1 0 287.407 2.942 20 70 CFIDRO CCOc1ccccc1/C=C/C(=O)NCC([NH3+])(CC)CC ZINC000160484881 322338700 /nfs/dbraw/zinc/33/87/00/322338700.db2.gz UCMRWNHUJPKFBM-VAWYXSNFSA-N 1 0 290.407 2.732 20 70 CFIDRO Cc1cc(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)oc1C ZINC000160575709 322340020 /nfs/dbraw/zinc/34/00/20/322340020.db2.gz RIWBGCGZQFXGSM-CQSZACIVSA-N 1 0 278.396 2.747 20 70 CFIDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)C[C@@H](C)SC ZINC000160645015 322340842 /nfs/dbraw/zinc/34/08/42/322340842.db2.gz UCGWVCLAGCYFRS-CHWSQXEVSA-N 1 0 274.474 2.755 20 70 CFIDRO CCc1cc(=O)[nH]c(C[N@@H+]2CCC[C@@H]2Cc2ccccc2)n1 ZINC000160654410 322341259 /nfs/dbraw/zinc/34/12/59/322341259.db2.gz WAQZAGSUGANUEJ-MRXNPFEDSA-N 1 0 297.402 2.952 20 70 CFIDRO CCCn1c(C)nnc1C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000160703865 322341590 /nfs/dbraw/zinc/34/15/90/322341590.db2.gz CFXKUJUCMXCQOJ-OKILXGFUSA-N 1 0 262.401 2.619 20 70 CFIDRO CC[N@@H+]1CCCC[C@@H]1C(=O)NCCCSCC(C)C ZINC000160771213 322342737 /nfs/dbraw/zinc/34/27/37/322342737.db2.gz UFXYQHOYPONWQK-CQSZACIVSA-N 1 0 286.485 2.756 20 70 CFIDRO CCc1cc(=O)[nH]c(C[N@@H+](CC)C2CCCCC2)n1 ZINC000160764626 322343024 /nfs/dbraw/zinc/34/30/24/322343024.db2.gz ZMOSMYPQZTYBSE-UHFFFAOYSA-N 1 0 263.385 2.899 20 70 CFIDRO CC(C)NC(=O)C[NH2+][C@H](C)[C@H](C)C1CCCCC1 ZINC000160953255 322345250 /nfs/dbraw/zinc/34/52/50/322345250.db2.gz CGXSVNWUPMCZDT-QWHCGFSZSA-N 1 0 254.418 2.706 20 70 CFIDRO CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@H]1CCc2ccccc21 ZINC000160997339 322345774 /nfs/dbraw/zinc/34/57/74/322345774.db2.gz CKXYXWFNZGWDRB-HOCLYGCPSA-N 1 0 288.435 2.953 20 70 CFIDRO CCN(C(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C)C(C)C ZINC000160985391 322345853 /nfs/dbraw/zinc/34/58/53/322345853.db2.gz DGIQKDRBHYQMDP-HNNXBMFYSA-N 1 0 283.460 2.937 20 70 CFIDRO CCN(CC1CC1)C(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000161028962 322346588 /nfs/dbraw/zinc/34/65/88/322346588.db2.gz HPTSLTHSYGQCQJ-INIZCTEOSA-N 1 0 295.471 2.938 20 70 CFIDRO CC[NH+](CC)CCNC(=O)c1cc(C)c(F)cc1Cl ZINC000161114936 322347727 /nfs/dbraw/zinc/34/77/27/322347727.db2.gz UJKXQQNTLQKVJI-UHFFFAOYSA-N 1 0 286.778 2.859 20 70 CFIDRO C[C@@H]([NH2+]CCCCS(C)(=O)=O)c1ccccc1Cl ZINC000161192581 322348501 /nfs/dbraw/zinc/34/85/01/322348501.db2.gz OWMSRXBRQKOUEN-LLVKDONJSA-N 1 0 289.828 2.815 20 70 CFIDRO CCC[N@H+](CCO)Cc1cnc(C(C)(C)C)s1 ZINC000161224189 322349333 /nfs/dbraw/zinc/34/93/33/322349333.db2.gz JYGLDRLOMHEVKB-UHFFFAOYSA-N 1 0 256.415 2.645 20 70 CFIDRO CCC[N@H+](CCO)Cc1ccccc1OC(F)(F)F ZINC000161228302 322349471 /nfs/dbraw/zinc/34/94/71/322349471.db2.gz VAKTZWBWUDREAC-UHFFFAOYSA-N 1 0 277.286 2.790 20 70 CFIDRO C[NH+](C)Cc1ccc(C(=O)NC[C@H]2CC=CCC2)cc1 ZINC000161307769 322349874 /nfs/dbraw/zinc/34/98/74/322349874.db2.gz NIBZOQTXBJNTFV-AWEZNQCLSA-N 1 0 272.392 2.834 20 70 CFIDRO CCCC[NH+]1CCC(NC(=O)N2CC[C@H](C)[C@@H](C)C2)CC1 ZINC000161426139 322351226 /nfs/dbraw/zinc/35/12/26/322351226.db2.gz DHXCUSMCTRFCEE-GJZGRUSLSA-N 1 0 295.471 2.938 20 70 CFIDRO CC(C)NC(=O)C[NH2+][C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000160936666 519708853 /nfs/dbraw/zinc/70/88/53/519708853.db2.gz YALSFBGOPZGLJN-CQSZACIVSA-N 1 0 297.402 2.924 20 70 CFIDRO CCC[N@@H+]1CCCN(C(=O)c2cc(C)c(C)s2)CC1 ZINC000160401242 519850792 /nfs/dbraw/zinc/85/07/92/519850792.db2.gz JLXQMFAGWDDRCI-UHFFFAOYSA-N 1 0 280.437 2.923 20 70 CFIDRO CCC[N@@H+]1CCCN(C(=O)c2ccc3c(c2)CCC3)CC1 ZINC000160387139 519851167 /nfs/dbraw/zinc/85/11/67/519851167.db2.gz YCYIJOFUPLBOFN-UHFFFAOYSA-N 1 0 286.419 2.733 20 70 CFIDRO CC[N@H+](C)C[C@@H]1CCN(c2nc(C(C)(C)C)ns2)C1 ZINC000159758113 520249658 /nfs/dbraw/zinc/24/96/58/520249658.db2.gz KDZBYXGOZUWVHI-NSHDSACASA-N 1 0 282.457 2.614 20 70 CFIDRO CC[NH+](CC)[C@H](C)CNC(=O)NCC1(C2CC2)CCC1 ZINC000159598693 520853606 /nfs/dbraw/zinc/85/36/06/520853606.db2.gz QNUVNDKHVZSQLY-CYBMUJFWSA-N 1 0 281.444 2.596 20 70 CFIDRO CCOc1ccc(CNCC[N@H+](C)[C@H](C)CC)cc1 ZINC000217386004 521003354 /nfs/dbraw/zinc/00/33/54/521003354.db2.gz QTBPZDWGEGIULR-CQSZACIVSA-N 1 0 264.413 2.905 20 70 CFIDRO CCC[C@H](C)CC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161360410 521008943 /nfs/dbraw/zinc/00/89/43/521008943.db2.gz LTCCZWMUXRZTRM-ICIURTGMSA-N 1 0 252.402 2.554 20 70 CFIDRO CCC(=O)N[C@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC000159941092 521191312 /nfs/dbraw/zinc/19/13/12/521191312.db2.gz VIEICVPVWUJEPL-AWEZNQCLSA-N 1 0 252.402 2.557 20 70 CFIDRO CC[N@H+](Cc1nnc(-c2ccccc2OC)o1)C(C)C ZINC000159982677 521462764 /nfs/dbraw/zinc/46/27/64/521462764.db2.gz NAWFFLIWOFNLCB-UHFFFAOYSA-N 1 0 275.352 2.976 20 70 CFIDRO CCOc1ccccc1[C@@H](C)[NH2+][C@@H](CCO)CSC ZINC000160366596 521573081 /nfs/dbraw/zinc/57/30/81/521573081.db2.gz FFVQXURSKBJFTF-OLZOCXBDSA-N 1 0 283.437 2.850 20 70 CFIDRO CCC(CC)c1cc(C(=O)NCC[NH+]2CCCCC2)on1 ZINC000160568125 521630900 /nfs/dbraw/zinc/63/09/00/521630900.db2.gz IZTRSFXXLPLPOK-UHFFFAOYSA-N 1 0 293.411 2.794 20 70 CFIDRO [NH3+]CC1(C(=O)N[C@@H](Cc2ccccc2)C2CC2)CCCC1 ZINC000159821251 534586075 /nfs/dbraw/zinc/58/60/75/534586075.db2.gz UOGPHFLCDMGKBV-INIZCTEOSA-N 1 0 286.419 2.643 20 70 CFIDRO CC[C@H](C)c1cc(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)on1 ZINC000160590824 522028148 /nfs/dbraw/zinc/02/81/48/522028148.db2.gz CFYGTEBMKWPTDA-STQMWFEESA-N 1 0 293.411 2.650 20 70 CFIDRO CCc1nnc(C[N@@H+]2C[C@H](c3ccccc3)C(C)(C)C2)[nH]1 ZINC000159369820 522325240 /nfs/dbraw/zinc/32/52/40/522325240.db2.gz VIUOPMIENGURBF-CQSZACIVSA-N 1 0 284.407 2.993 20 70 CFIDRO COC[C@@H]([NH2+]C[C@@H](C)N(C)Cc1ccccc1)C1CC1 ZINC000160899199 522353546 /nfs/dbraw/zinc/35/35/46/522353546.db2.gz XQGMCULYKLEZHR-RHSMWYFYSA-N 1 0 276.424 2.522 20 70 CFIDRO CC[C@@H](C)c1cc(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)on1 ZINC000160590700 522419531 /nfs/dbraw/zinc/41/95/31/522419531.db2.gz CFYGTEBMKWPTDA-QWHCGFSZSA-N 1 0 293.411 2.650 20 70 CFIDRO CC[C@@H](CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000159959787 522473817 /nfs/dbraw/zinc/47/38/17/522473817.db2.gz PEFIJAKMAQNJGL-BHYGNILZSA-N 1 0 286.419 2.923 20 70 CFIDRO CC[C@@H](COC)[NH2+]C[C@@H](C1CCCCC1)N(C)C ZINC000160418351 522593179 /nfs/dbraw/zinc/59/31/79/522593179.db2.gz AESASXQHYYRRCG-GJZGRUSLSA-N 1 0 256.434 2.512 20 70 CFIDRO CC[C@H]([NH2+]C[C@](C)(O)CCC(C)C)[C@@H]1CCOC1 ZINC000159412095 522636245 /nfs/dbraw/zinc/63/62/45/522636245.db2.gz XKXAZZXSJRZHRH-QLFBSQMISA-N 1 0 257.418 2.578 20 70 CFIDRO CC[C@H]([NH2+]Cc1ccc(OC(C)C)nc1)[C@@H]1CCOC1 ZINC000160088730 522649383 /nfs/dbraw/zinc/64/93/83/522649383.db2.gz ZIPRFVNAKRKMHL-CABCVRRESA-N 1 0 278.396 2.774 20 70 CFIDRO CC[C@@H](NC(=O)C[C@H]1CCC[NH2+]1)c1ccc(F)cc1F ZINC000159731347 522694055 /nfs/dbraw/zinc/69/40/55/522694055.db2.gz WASTTWYBFCEUFP-BXUZGUMPSA-N 1 0 282.334 2.674 20 70 CFIDRO CC[C@H]([NH2+][C@@H](CCCO)c1ccccc1)[C@@H]1CCOC1 ZINC000160850592 522704916 /nfs/dbraw/zinc/70/49/16/522704916.db2.gz ZFCFXOCBTWUPRC-IKGGRYGDSA-N 1 0 277.408 2.905 20 70 CFIDRO COC[C@H]([NH2+]C[C@H](C1CCCCC1)N(C)C)C(C)C ZINC000160413399 522744827 /nfs/dbraw/zinc/74/48/27/522744827.db2.gz DZPWRRXTOWTJCS-JKSUJKDBSA-N 1 0 270.461 2.758 20 70 CFIDRO CC[C@@H](NC1CC[NH+](C2CCCC2)CC1)c1cnn(C)c1 ZINC000160459876 522812460 /nfs/dbraw/zinc/81/24/60/522812460.db2.gz UTMUXWSJKAETQO-QGZVFWFLSA-N 1 0 290.455 2.868 20 70 CFIDRO CC[C@@H]([NH2+]Cc1ccc(CN2CCOCC2)cc1)C1CC1 ZINC000160630185 522875158 /nfs/dbraw/zinc/87/51/58/522875158.db2.gz HKXVPVOFAQBWDY-GOSISDBHSA-N 1 0 288.435 2.797 20 70 CFIDRO CC[C@@H]([NH2+]Cc1ccc(OC(C)C)nc1)[C@H]1CCOC1 ZINC000160089133 522877355 /nfs/dbraw/zinc/87/73/55/522877355.db2.gz ZIPRFVNAKRKMHL-LSDHHAIUSA-N 1 0 278.396 2.774 20 70 CFIDRO COCCC1(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CCC1 ZINC000161035598 523005780 /nfs/dbraw/zinc/00/57/80/523005780.db2.gz YTLIQLNBUWQUQO-UHFFFAOYSA-N 1 0 296.455 2.619 20 70 CFIDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CN[C@@H](C)c2cnn(C)c2)C1 ZINC000161017296 523248662 /nfs/dbraw/zinc/24/86/62/523248662.db2.gz FCWBPRUTWPYIRH-LSDHHAIUSA-N 1 0 292.471 2.971 20 70 CFIDRO CO[C@@]1(C[NH2+]C2CC(c3ccccc3Cl)C2)CCOC1 ZINC000160120179 523816423 /nfs/dbraw/zinc/81/64/23/523816423.db2.gz KMWPHNVUJLILRE-SEEARECTSA-N 1 0 295.810 2.981 20 70 CFIDRO CCc1ccc([C@H](C)NC(=O)[C@H]([NH3+])[C@H](C)CC)cc1 ZINC000217779533 524044871 /nfs/dbraw/zinc/04/48/71/524044871.db2.gz KWPXHODIJXLRND-TYNCELHUSA-N 1 0 262.397 2.800 20 70 CFIDRO C[C@@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)c1cccs1 ZINC000159400184 524119075 /nfs/dbraw/zinc/11/90/75/524119075.db2.gz ILNVKPPQXKUGCW-KGLIPLIRSA-N 1 0 292.448 2.938 20 70 CFIDRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cc(Cl)ccc1F ZINC000159635918 524341962 /nfs/dbraw/zinc/34/19/62/524341962.db2.gz OZAAAZNOKWOQSL-VHSXEESVSA-N 1 0 284.762 2.565 20 70 CFIDRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(Cl)c(F)c1 ZINC000159693418 524568351 /nfs/dbraw/zinc/56/83/51/524568351.db2.gz SLFYVPADPRUXJO-MWLCHTKSSA-N 1 0 284.762 2.565 20 70 CFIDRO Cc1ccc(C[C@@H](C)N(C)C(=O)C[C@H]2CCC[NH2+]2)cc1 ZINC000159638499 524657663 /nfs/dbraw/zinc/65/76/63/524657663.db2.gz BXONIMKYCOMVED-GDBMZVCRSA-N 1 0 274.408 2.527 20 70 CFIDRO Cc1cc(CN(C)[C@H](C[NH3+])C2CC2)c2ccccc2n1 ZINC000159666879 524668837 /nfs/dbraw/zinc/66/88/37/524668837.db2.gz HNCMJSCHFOVCGJ-QGZVFWFLSA-N 1 0 269.392 2.712 20 70 CFIDRO Cc1ccc(C[C@H](C)N(C)C(=O)C[C@@H]2CCC[NH2+]2)cc1 ZINC000159638371 524675316 /nfs/dbraw/zinc/67/53/16/524675316.db2.gz BXONIMKYCOMVED-HOCLYGCPSA-N 1 0 274.408 2.527 20 70 CFIDRO C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)C[C@H]1CCC[NH2+]1 ZINC000159446054 524888884 /nfs/dbraw/zinc/88/88/84/524888884.db2.gz HPGXZKHFFMBUMQ-SWLSCSKDSA-N 1 0 294.826 2.872 20 70 CFIDRO C[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2)CC[C@@H]1O ZINC000159425750 524992126 /nfs/dbraw/zinc/99/21/26/524992126.db2.gz KRGUFMNNFMHFHE-MFKMUULPSA-N 1 0 273.298 2.908 20 70 CFIDRO Cc1ccc(NC(=O)N(C)[C@@H](C[NH3+])C2CC2)cc1Cl ZINC000159907879 525113392 /nfs/dbraw/zinc/11/33/92/525113392.db2.gz DTXPEBBIRRCNAV-ZDUSSCGKSA-N 1 0 281.787 2.849 20 70 CFIDRO Cc1cc([C@H](C)[NH2+][C@H](C)C(=O)NCC(F)(F)F)c(C)o1 ZINC000159797000 525528285 /nfs/dbraw/zinc/52/82/85/525528285.db2.gz UFYSGTAIEJFJFJ-DTWKUNHWSA-N 1 0 292.301 2.614 20 70 CFIDRO C[C@@H](N[C@@H]1CCC[N@@H+](C2CCCCC2)C1)c1cnn(C)c1 ZINC000160071410 525634532 /nfs/dbraw/zinc/63/45/32/525634532.db2.gz LMVMKBVGASMFSA-GDBMZVCRSA-N 1 0 290.455 2.868 20 70 CFIDRO NC(=O)CC1CC[NH+](Cc2cc3cc(F)ccc3o2)CC1 ZINC000159728231 526862165 /nfs/dbraw/zinc/86/21/65/526862165.db2.gz YBBGIXKYLRHCLW-UHFFFAOYSA-N 1 0 290.338 2.659 20 70 CFIDRO O=C(C[C@@H]1CCC[NH2+]1)N[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000159449699 527117910 /nfs/dbraw/zinc/11/79/10/527117910.db2.gz ILTUJCQBTGRQRL-ULQDDVLXSA-N 1 0 286.419 2.656 20 70 CFIDRO Cc1nc2ccccn2c1CN1CCC([NH2+]C(C)C)CC1 ZINC000159751830 527177268 /nfs/dbraw/zinc/17/72/68/527177268.db2.gz SKCAVUNHXIGKIF-UHFFFAOYSA-N 1 0 286.423 2.605 20 70 CFIDRO Cc1nccn1CCC[NH+]1CCC(OCC(C)C)CC1 ZINC000161493894 527408958 /nfs/dbraw/zinc/40/89/58/527408958.db2.gz UFOFHJRHVWPEDP-UHFFFAOYSA-N 1 0 279.428 2.719 20 70 CFIDRO O=C(N1C[C@H]2CCC[C@@H](C1)[NH2+]2)C12CC3CC(CC(C3)C1)C2 ZINC000160141036 527449167 /nfs/dbraw/zinc/44/91/67/527449167.db2.gz CFDZICSYGWXZDY-MJOOJJJVSA-N 1 0 288.435 2.556 20 70 CFIDRO O=C(NC1(c2ccccc2)CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000160050166 527477424 /nfs/dbraw/zinc/47/74/24/527477424.db2.gz QTGKKAIKQMQKSJ-HNNXBMFYSA-N 1 0 286.419 2.962 20 70 CFIDRO CC(C)OCC[N@H+](CCc1nccs1)C(C)C ZINC000159733071 527953772 /nfs/dbraw/zinc/95/37/72/527953772.db2.gz STALXQGOYXFHTK-UHFFFAOYSA-N 1 0 256.415 2.821 20 70 CFIDRO CCOCCC[NH+]1CCC(OC2CCCC2)CC1 ZINC000159978499 528660202 /nfs/dbraw/zinc/66/02/02/528660202.db2.gz MQQWXBXUVLYOCD-UHFFFAOYSA-N 1 0 255.402 2.837 20 70 CFIDRO CCOc1ccccc1CCC(=O)NCC([NH3+])(CC)CC ZINC000160473956 528716025 /nfs/dbraw/zinc/71/60/25/528716025.db2.gz QIIAVIDAUVSFGN-UHFFFAOYSA-N 1 0 292.423 2.652 20 70 CFIDRO CC[N@@H+]1CCCC[C@H]1C(=O)NCCc1cc2ccccc2[nH]1 ZINC000159662125 529006587 /nfs/dbraw/zinc/00/65/87/529006587.db2.gz FTSVGOULPQHTLW-KRWDZBQOSA-N 1 0 299.418 2.701 20 70 CFIDRO CCSCC[NH+]1CCN(Cc2ccccc2OC)CC1 ZINC000160437066 529179296 /nfs/dbraw/zinc/17/92/96/529179296.db2.gz BNBOORULUGWRMU-UHFFFAOYSA-N 1 0 294.464 2.566 20 70 CFIDRO CC[C@@](C)(O)C[N@H+](C)Cc1nc2c(s1)CCCC2 ZINC000161387173 529508173 /nfs/dbraw/zinc/50/81/73/529508173.db2.gz WUZJHPDTAJNJMK-CQSZACIVSA-N 1 0 268.426 2.615 20 70 CFIDRO [NH3+]C1(CNC(=O)[C@H]2C[C@@H]2C2CCCCC2)CCCCC1 ZINC000159478546 232244896 /nfs/dbraw/zinc/24/48/96/232244896.db2.gz WVDXMJIWDHFRPF-CABCVRRESA-N 1 0 278.440 2.981 20 70 CFIDRO Clc1ccc(N2CC[NH+](CCOCC3CC3)CC2)cc1 ZINC000159677887 232245650 /nfs/dbraw/zinc/24/56/50/232245650.db2.gz LLSBLIOZELNNTK-UHFFFAOYSA-N 1 0 294.826 2.889 20 70 CFIDRO Cc1cc(CCCC(=O)NCC(C)(C)[NH3+])c(C)s1 ZINC000160122356 232247195 /nfs/dbraw/zinc/24/71/95/232247195.db2.gz BPFJGTHPZPJTGQ-UHFFFAOYSA-N 1 0 268.426 2.541 20 70 CFIDRO CCN(C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)C1CCCCC1 ZINC000160641419 348019930 /nfs/dbraw/zinc/01/99/30/348019930.db2.gz TWESKKCYLQXWFF-HNNXBMFYSA-N 1 0 293.455 2.835 20 70 CFIDRO CCO[C@@H]1C[C@@H](NC(=O)CC2([NH3+])CCC2)C12CCCCC2 ZINC000161182384 539830564 /nfs/dbraw/zinc/83/05/64/539830564.db2.gz QVNMFQLHSJATKU-ZIAGYGMSSA-N 1 0 294.439 2.502 20 70 CFIDRO CCC[C@@H]([NH3+])C(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000159811796 188443458 /nfs/dbraw/zinc/44/34/58/188443458.db2.gz HZOMLMNITPCLER-TZMCWYRMSA-N 1 0 280.799 2.783 20 70 CFIDRO CCSc1ccc(Cl)cc1C(=O)NCCC[NH3+] ZINC000160109579 188456273 /nfs/dbraw/zinc/45/62/73/188456273.db2.gz HABHEUBISWYHBF-UHFFFAOYSA-N 1 0 272.801 2.531 20 70 CFIDRO Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)CC[NH3+] ZINC000160940780 188499282 /nfs/dbraw/zinc/49/92/82/188499282.db2.gz LBUDHGGVFCQLHI-AWEZNQCLSA-N 1 0 288.416 2.805 20 70 CFIDRO C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)C2CC[NH2+]CC2)C1 ZINC000161045668 188505208 /nfs/dbraw/zinc/50/52/08/188505208.db2.gz GVALUMOKBICBFY-MLGOLLRUSA-N 1 0 290.382 2.735 20 70 CFIDRO CCSCc1ccc(C(=O)N2CCC[C@@H]2C[NH2+]C)cc1 ZINC000161247077 188517585 /nfs/dbraw/zinc/51/75/85/188517585.db2.gz FPVIZFURMLNXTE-OAHLLOKOSA-N 1 0 292.448 2.764 20 70 CFIDRO CCCn1nccc1C[NH2+]CCc1ccc(F)cc1 ZINC000159956254 540665761 /nfs/dbraw/zinc/66/57/61/540665761.db2.gz UFTJSSHTAYLVRS-UHFFFAOYSA-N 1 0 261.344 2.765 20 70 CFIDRO CCCn1nccc1C[NH2+]CCc1ccccc1F ZINC000159961901 540666194 /nfs/dbraw/zinc/66/61/94/540666194.db2.gz OATVEWXXKBDVQM-UHFFFAOYSA-N 1 0 261.344 2.765 20 70 CFIDRO CCCn1nccc1C[NH2+][C@@H](C)CCc1ccco1 ZINC000159985470 540666344 /nfs/dbraw/zinc/66/63/44/540666344.db2.gz OQELPGWDLDRVGF-ZDUSSCGKSA-N 1 0 261.369 2.997 20 70 CFIDRO CCCn1nccc1C[NH2+][C@H]1CCc2ccccc2C1 ZINC000160132073 540669043 /nfs/dbraw/zinc/66/90/43/540669043.db2.gz BJYQKJHWTTYGTH-INIZCTEOSA-N 1 0 269.392 2.940 20 70 CFIDRO CCCn1nccc1C[NH2+]CC1(O)CCC(C)(C)CC1 ZINC000160161711 540669149 /nfs/dbraw/zinc/66/91/49/540669149.db2.gz NLKWYSRCGPMLNY-UHFFFAOYSA-N 1 0 279.428 2.714 20 70 CFIDRO Fc1ccc(Br)c(OC[C@H]2CC[NH2+]C2)c1 ZINC000160326874 540671770 /nfs/dbraw/zinc/67/17/70/540671770.db2.gz LOMRUHXNQDYVIJ-QMMMGPOBSA-N 1 0 274.133 2.577 20 70 CFIDRO C[C@H](OC1CCCCCC1)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161011993 540686207 /nfs/dbraw/zinc/68/62/07/540686207.db2.gz JDNPMIHJNVQIRZ-MELADBBJSA-N 1 0 282.428 2.500 20 70 CFIDRO CC(C)c1cccc(OCC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000161115103 540688771 /nfs/dbraw/zinc/68/87/71/540688771.db2.gz QQJSWRFKMHRNLE-HUUCEWRRSA-N 1 0 290.407 2.575 20 70 CFIDRO Cc1ccc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1Cl ZINC000161112019 540688796 /nfs/dbraw/zinc/68/87/96/540688796.db2.gz ZLVWFBMFZTXROY-NEPJUHHUSA-N 1 0 266.772 2.648 20 70 CFIDRO CC(C)c1ccsc1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161291333 540691845 /nfs/dbraw/zinc/69/18/45/540691845.db2.gz CMJSVXMVESCXLW-WDEREUQCSA-N 1 0 266.410 2.871 20 70 CFIDRO Cc1ccc(-c2cc(C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)on2)cc1 ZINC000161506792 540694166 /nfs/dbraw/zinc/69/41/66/540694166.db2.gz SKJNALHEHHAHOH-KGLIPLIRSA-N 1 0 299.374 2.650 20 70 CFIDRO CCCC[C@H](CC)CC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161458502 540693334 /nfs/dbraw/zinc/69/33/34/540693334.db2.gz FGJOKCOPXJVRLO-IHRRRGAJSA-N 1 0 254.418 2.979 20 70 CFIDRO [NH3+]C1(CC(=O)N2CCSC3(CCCCC3)C2)CCC1 ZINC000161452844 540693443 /nfs/dbraw/zinc/69/34/43/540693443.db2.gz OOEBTKURXVQDPH-UHFFFAOYSA-N 1 0 282.453 2.536 20 70 CFIDRO COc1cc(N[C@H](C)C2CC[NH+](C)CC2)ccc1F ZINC000159960608 541019236 /nfs/dbraw/zinc/01/92/36/541019236.db2.gz QMQHPCXTPRWZKH-LLVKDONJSA-N 1 0 266.360 2.977 20 70 CFIDRO CC(C)C(=O)NCCC[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC000159976537 541019536 /nfs/dbraw/zinc/01/95/36/541019536.db2.gz PAMKMRNTROHUNC-OAHLLOKOSA-N 1 0 296.361 2.704 20 70 CFIDRO c1nc2ccccn2c1CN1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000160250342 541410056 /nfs/dbraw/zinc/41/00/56/541410056.db2.gz FUDTUSAFMQUUAL-INIZCTEOSA-N 1 0 298.434 2.785 20 70 CFIDRO C[N@H+](C[C@@H](O)C1CC1)[C@@H]1CCCc2ccc(F)cc21 ZINC000160762293 541472282 /nfs/dbraw/zinc/47/22/82/541472282.db2.gz QXXASVXDLIPSKO-HZPDHXFCSA-N 1 0 263.356 2.906 20 70 CFIDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)N1CCCCCC1 ZINC000160791314 284195046 /nfs/dbraw/zinc/19/50/46/284195046.db2.gz RNSAYQFAAVDZJD-AWEZNQCLSA-N 1 0 279.428 2.589 20 70 CFIDRO O=C(c1ccccc1C(F)(F)F)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000159395462 296261160 /nfs/dbraw/zinc/26/11/60/296261160.db2.gz OJSADLQTVRCKIM-CQSZACIVSA-N 1 0 298.308 2.531 20 70 CFIDRO CC(C)([NH3+])CNC(=O)COc1ccccc1-c1ccccc1 ZINC000159949783 378739137 /nfs/dbraw/zinc/73/91/37/378739137.db2.gz GCJOYKXROQLJLA-UHFFFAOYSA-N 1 0 298.386 2.586 20 70 CFIDRO CC[N@@H+]1CC[C@@H](NCc2ccc(OC(C)C)nc2)[C@H](C)C1 ZINC000160052047 378744858 /nfs/dbraw/zinc/74/48/58/378744858.db2.gz IWLXVRVJVJFNBD-GDBMZVCRSA-N 1 0 291.439 2.689 20 70 CFIDRO COC[C@H]([NH2+]Cc1ccc(OC(C)C)nc1)C(C)C ZINC000160088566 378747619 /nfs/dbraw/zinc/74/76/19/378747619.db2.gz ZNSUQHGQMBYTTE-AWEZNQCLSA-N 1 0 266.385 2.629 20 70 CFIDRO C[C@@H](Sc1ccccc1Cl)C(=O)NCC(C)(C)[NH3+] ZINC000160089886 378748676 /nfs/dbraw/zinc/74/86/76/378748676.db2.gz FZTPZOJPHDMONR-SECBINFHSA-N 1 0 286.828 2.674 20 70 CFIDRO CC[C@@H](C)N(C)CC[NH2+]C1CCN(c2ccccc2)CC1 ZINC000160114511 378750046 /nfs/dbraw/zinc/75/00/46/378750046.db2.gz TVHJJQNZKVVJAB-MRXNPFEDSA-N 1 0 289.467 2.975 20 70 CFIDRO CCCCc1nc(CN(CC)CCc2nccs2)no1 ZINC000159383773 378705449 /nfs/dbraw/zinc/70/54/49/378705449.db2.gz CTTDFTOKHTZELI-UHFFFAOYSA-N 1 0 294.424 2.933 20 70 CFIDRO C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)C[NH2+]CC1CC1 ZINC000159445278 378710621 /nfs/dbraw/zinc/71/06/21/378710621.db2.gz MMANFZWKSDBAMX-LBPRGKRZSA-N 1 0 294.826 2.729 20 70 CFIDRO CC(C)(C(=O)NCC1([NH3+])CCCCC1)c1ccc(F)cc1 ZINC000159543645 378715152 /nfs/dbraw/zinc/71/51/52/378715152.db2.gz OUXBTHKGQXPJOG-UHFFFAOYSA-N 1 0 292.398 2.881 20 70 CFIDRO Cc1ccccc1[C@H](C)[NH2+]CCCN1CCCC1=O ZINC000159545017 378715210 /nfs/dbraw/zinc/71/52/10/378715210.db2.gz SSCIJMKVUZOHSN-AWEZNQCLSA-N 1 0 260.381 2.658 20 70 CFIDRO O=C1CCCN1CCC[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000159567039 378717226 /nfs/dbraw/zinc/71/72/26/378717226.db2.gz LSPASKMMRASXAY-HNNXBMFYSA-N 1 0 292.810 2.929 20 70 CFIDRO C[C@@H]([NH2+][C@@H]1CCCSC1)c1ccc([S@@](C)=O)cc1 ZINC000159605497 378720187 /nfs/dbraw/zinc/72/01/87/378720187.db2.gz LDZYBQBCBQKDLM-BVRBVLIYSA-N 1 0 283.462 2.970 20 70 CFIDRO C[NH2+]C[C@H](C)C(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000159602019 378720410 /nfs/dbraw/zinc/72/04/10/378720410.db2.gz VRIQYXDJHTUJTK-ZDUSSCGKSA-N 1 0 290.407 2.940 20 70 CFIDRO Fc1cc(F)cc(C[NH2+]CCCOC[C@H]2CCCO2)c1 ZINC000159643298 378721612 /nfs/dbraw/zinc/72/16/12/378721612.db2.gz CQOPSIORNICXCY-OAHLLOKOSA-N 1 0 285.334 2.640 20 70 CFIDRO CCC1(CNC(=O)N(CC[NH+](C)C)C(C)C)CCCC1 ZINC000159675998 378724426 /nfs/dbraw/zinc/72/44/26/378724426.db2.gz DPWJNEGPYIICGM-UHFFFAOYSA-N 1 0 283.460 2.938 20 70 CFIDRO CCCCOc1ccc([C@@H](C)[NH2+]CCO)cc1OC ZINC000159713293 378725895 /nfs/dbraw/zinc/72/58/95/378725895.db2.gz NHVQCXWQEYLUTE-GFCCVEGCSA-N 1 0 267.369 2.517 20 70 CFIDRO NC(=O)[C@@H]([NH2+]CCC1Cc2ccccc2C1)c1ccccc1 ZINC000159734568 378727762 /nfs/dbraw/zinc/72/77/62/378727762.db2.gz XLOQIEADZFQMPW-SFHVURJKSA-N 1 0 294.398 2.608 20 70 CFIDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)c1cccs1 ZINC000159769793 378729113 /nfs/dbraw/zinc/72/91/13/378729113.db2.gz PRMAULQQNISJRA-STQMWFEESA-N 1 0 280.437 2.842 20 70 CFIDRO CCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccccc2C)C1 ZINC000159819989 378731692 /nfs/dbraw/zinc/73/16/92/378731692.db2.gz QWZKGNDDNZEPHV-ZIAGYGMSSA-N 1 0 260.381 2.657 20 70 CFIDRO COc1ccc(C[N@H+](C)Cc2c(C)n[nH]c2C)cc1 ZINC000159848174 378733906 /nfs/dbraw/zinc/73/39/06/378733906.db2.gz PMZLHRMZDYBDBU-UHFFFAOYSA-N 1 0 259.353 2.667 20 70 CFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)C(C)(C)c1ccccc1)CC2 ZINC000160321528 378763878 /nfs/dbraw/zinc/76/38/78/378763878.db2.gz KESIIMOMAVDQKX-XJKSGUPXSA-N 1 0 298.434 2.857 20 70 CFIDRO CCc1ccc(CCC(=O)NCC([NH3+])(CC)CC)cc1 ZINC000160471328 378773563 /nfs/dbraw/zinc/77/35/63/378773563.db2.gz GWRAJCSGXHZNCV-UHFFFAOYSA-N 1 0 276.424 2.815 20 70 CFIDRO COc1ccc(OC)c(C[NH2+][C@@H]2CCOC(C)(C)C2)c1 ZINC000160461826 378774263 /nfs/dbraw/zinc/77/42/63/378774263.db2.gz OUVAMFRIHFDCNG-CYBMUJFWSA-N 1 0 279.380 2.751 20 70 CFIDRO C[C@@H](NC(=O)C[C@@H]1CCC[NH2+]1)c1ncc(-c2ccccc2)o1 ZINC000160479946 378775998 /nfs/dbraw/zinc/77/59/98/378775998.db2.gz SKNUYPIKLTUTER-OCCSQVGLSA-N 1 0 299.374 2.661 20 70 CFIDRO CC(C)(CCc1ccccc1)NC(=O)CC[C@H]1CC[NH2+]C1 ZINC000160808409 378800486 /nfs/dbraw/zinc/80/04/86/378800486.db2.gz VNEGOBOOWLBDIM-INIZCTEOSA-N 1 0 288.435 2.904 20 70 CFIDRO COCCOc1ccc(C[NH2+][C@H]2CCOC(C)(C)C2)cc1 ZINC000160526078 378779525 /nfs/dbraw/zinc/77/95/25/378779525.db2.gz AFLPGIQZBHZEAT-HNNXBMFYSA-N 1 0 293.407 2.759 20 70 CFIDRO CCCn1nc(C)c(C[NH2+][C@@H]2CCOC(C)(C)C2)c1C ZINC000160532399 378779701 /nfs/dbraw/zinc/77/97/01/378779701.db2.gz OCRAHFZMVACXQL-CQSZACIVSA-N 1 0 279.428 2.957 20 70 CFIDRO Cc1ccc(CN(C(=O)C[C@H]2CCC[NH2+]2)C2CC2)cc1C ZINC000160550184 378780361 /nfs/dbraw/zinc/78/03/61/378780361.db2.gz ZCLAQCDPNZEIJV-MRXNPFEDSA-N 1 0 286.419 2.937 20 70 CFIDRO CC[C@@H](C)OCC(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC000160595386 378785000 /nfs/dbraw/zinc/78/50/00/378785000.db2.gz DGIQSFAGRVZZDY-CQSZACIVSA-N 1 0 292.423 2.570 20 70 CFIDRO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CC(C)(C)O ZINC000160624095 378785963 /nfs/dbraw/zinc/78/59/63/378785963.db2.gz GLEWTKXHRCSTAZ-CQSZACIVSA-N 1 0 253.361 2.753 20 70 CFIDRO CC[C@H](NC(=O)[C@@H]1CC[C@H]([NH3+])C1)c1cc(F)ccc1F ZINC000160657054 378789305 /nfs/dbraw/zinc/78/93/05/378789305.db2.gz LOTDFYVYKMSTRE-PUYPPJJSSA-N 1 0 282.334 2.660 20 70 CFIDRO C[NH2+][C@H]1CCN(C(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)C1 ZINC000160676872 378791310 /nfs/dbraw/zinc/79/13/10/378791310.db2.gz NZIURZZQIUNICW-KSZLIROESA-N 1 0 294.398 2.764 20 70 CFIDRO Cc1ccc(O)c(CN(C)Cc2ccccc2F)n1 ZINC000160726214 378792904 /nfs/dbraw/zinc/79/29/04/378792904.db2.gz JXLODFDAVLHBEQ-UHFFFAOYSA-N 1 0 260.312 2.867 20 70 CFIDRO CC[C@H](NC(=O)[C@@H]1CC[C@H]([NH3+])C1)C(C)(C)c1ccccc1 ZINC000160760867 378795953 /nfs/dbraw/zinc/79/59/53/378795953.db2.gz SMWVATUGSWCXSS-KBMXLJTQSA-N 1 0 288.435 2.986 20 70 CFIDRO Cc1c(C[NH2+][C@H](C)Cc2ccccc2F)cnn1C ZINC000160755772 378797185 /nfs/dbraw/zinc/79/71/85/378797185.db2.gz ODJIXDITUNSDSV-LLVKDONJSA-N 1 0 261.344 2.588 20 70 CFIDRO CCc1ccc(/C=C/C(=O)Nc2cc(C[NH+](C)C)ccn2)o1 ZINC000160779957 378798798 /nfs/dbraw/zinc/79/87/98/378798798.db2.gz QQXKULKNTPSIND-BQYQJAHWSA-N 1 0 299.374 2.951 20 70 CFIDRO COc1ccc(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cc1F ZINC000160792512 378799065 /nfs/dbraw/zinc/79/90/65/378799065.db2.gz LXPJNFHYPDDURP-RHSMWYFYSA-N 1 0 293.382 2.961 20 70 CFIDRO C[C@H]([NH2+]CCOc1cccc(Cl)c1)c1cnccn1 ZINC000160253070 378758904 /nfs/dbraw/zinc/75/89/04/378758904.db2.gz VWJFDULFBTTYBZ-NSHDSACASA-N 1 0 277.755 2.860 20 70 CFIDRO CCC[N@H+](CCO)Cc1cccc(OC)c1OC(F)F ZINC000161217664 378831189 /nfs/dbraw/zinc/83/11/89/378831189.db2.gz MNQMDRBOGHZYEE-UHFFFAOYSA-N 1 0 289.322 2.501 20 70 CFIDRO CCC(CC)(C[NH3+])C(=O)NCC1(c2cccc(F)c2)CC1 ZINC000161241731 378833017 /nfs/dbraw/zinc/83/30/17/378833017.db2.gz HVDPXHRUGPTZBA-UHFFFAOYSA-N 1 0 292.398 2.739 20 70 CFIDRO COC[C@@H]([NH2+]C[C@H](C)N(C)Cc1ccccc1)C1CC1 ZINC000160899101 378807898 /nfs/dbraw/zinc/80/78/98/378807898.db2.gz XQGMCULYKLEZHR-WMLDXEAASA-N 1 0 276.424 2.522 20 70 CFIDRO C[C@H]1C[C@H](Nc2cnccn2)C[N@@H+]1Cc1ccccc1 ZINC000160930574 378809492 /nfs/dbraw/zinc/80/94/92/378809492.db2.gz MSQYLGMPNVDXRE-ZFWWWQNUSA-N 1 0 268.364 2.552 20 70 CFIDRO C[C@@H](CCC1CCCCC1)NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000160915608 378809857 /nfs/dbraw/zinc/80/98/57/378809857.db2.gz XFQIDMDIIQYVQH-DZGCQCFKSA-N 1 0 266.429 2.851 20 70 CFIDRO Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CC(=O)NC(C)C ZINC000160925015 378810417 /nfs/dbraw/zinc/81/04/17/378810417.db2.gz ZBERLEJLSJBIHI-JTQLQIEISA-N 1 0 283.441 2.750 20 70 CFIDRO C[N@H+](Cc1cnn(-c2ccccc2)c1)[C@@H]1CCCC[C@@H]1O ZINC000161083680 378819512 /nfs/dbraw/zinc/81/95/12/378819512.db2.gz NMOUNGNSBHNARB-SJORKVTESA-N 1 0 285.391 2.608 20 70 CFIDRO CC[C@@H](C(=O)N1CCC2(C1)CCCCC2)[NH+](C)C ZINC000161085888 378819589 /nfs/dbraw/zinc/81/95/89/378819589.db2.gz RTBUFNJYGUUYOM-ZDUSSCGKSA-N 1 0 252.402 2.509 20 70 CFIDRO O=C(C[C@@H]1CCC[NH2+]1)Nc1ccc(F)cc1OC(F)F ZINC000161085118 378819645 /nfs/dbraw/zinc/81/96/45/378819645.db2.gz RPRRDJYYGJLSJC-VIFPVBQESA-N 1 0 288.269 2.508 20 70 CFIDRO Cc1ccc(C[NH2+][C@H](C)c2cnc(C)nc2C)cn1 ZINC000161283026 378835713 /nfs/dbraw/zinc/83/57/13/378835713.db2.gz AIWPVUDQZGAZBS-LLVKDONJSA-N 1 0 256.353 2.648 20 70 CFIDRO CC(C)C[C@H]([NH3+])C(=O)NC[C@H](C)Oc1ccc(Cl)cc1 ZINC000161133360 378823956 /nfs/dbraw/zinc/82/39/56/378823956.db2.gz DGHSCGCWALJATG-FZMZJTMJSA-N 1 0 298.814 2.597 20 70 CFIDRO Cc1ccc(C[NH2+][C@@H](C)c2cnc(C)nc2C)cn1 ZINC000161282929 378835920 /nfs/dbraw/zinc/83/59/20/378835920.db2.gz AIWPVUDQZGAZBS-NSHDSACASA-N 1 0 256.353 2.648 20 70 CFIDRO COc1ccc(CN(C)CCC[NH+]2CCCC2)c(OC)c1 ZINC000161287939 378836086 /nfs/dbraw/zinc/83/60/86/378836086.db2.gz SOJSZEWXSFTZOH-UHFFFAOYSA-N 1 0 292.423 2.622 20 70 CFIDRO Cc1ccc([C@@H](C)CNC(=O)[C@H]([NH3+])Cc2ccccc2)cc1 ZINC000161169364 378827819 /nfs/dbraw/zinc/82/78/19/378827819.db2.gz WGDSCPBOEDAWAX-MAUKXSAKSA-N 1 0 296.414 2.785 20 70 CFIDRO CC(=O)NC1CCC([NH2+][C@@H](C)c2nc(C)cs2)CC1 ZINC000161415364 378844659 /nfs/dbraw/zinc/84/46/59/378844659.db2.gz QONPEMAMIBSRPY-PKSQDBQZSA-N 1 0 281.425 2.549 20 70 CFIDRO CC[NH+](CC)[C@@H](C)CNC(=O)c1ccc(C(C)C)nc1 ZINC000161426213 378846080 /nfs/dbraw/zinc/84/60/80/378846080.db2.gz VJCBRHFQYLSDJF-ZDUSSCGKSA-N 1 0 277.412 2.665 20 70 CFIDRO Cc1ncc([C@H](C)[NH2+]C[C@H](CO)c2ccccc2)c(C)n1 ZINC000161469834 378849575 /nfs/dbraw/zinc/84/95/75/378849575.db2.gz KVGFVHFLAOLTLI-BLLLJJGKSA-N 1 0 285.391 2.520 20 70 CFIDRO Cc1ccc(C[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)cn1 ZINC000161301851 378836830 /nfs/dbraw/zinc/83/68/30/378836830.db2.gz YJVLTURCLCIURB-XCLFUZPHSA-N 1 0 288.416 2.978 20 70 CFIDRO CC[NH2+]CCNCc1cc(Br)ccc1Cl ZINC000161296363 378837358 /nfs/dbraw/zinc/83/73/58/378837358.db2.gz UMTHYKXPMBHFED-UHFFFAOYSA-N 1 0 291.620 2.802 20 70 CFIDRO COCC[N@@H+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC000217246787 382786011 /nfs/dbraw/zinc/78/60/11/382786011.db2.gz BPBSNVAIMLPYDD-GFCCVEGCSA-N 1 0 284.197 2.885 20 70 CFIDRO COc1ccc(N[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1F ZINC000217949999 382788370 /nfs/dbraw/zinc/78/83/70/382788370.db2.gz KTXBHTYRQIVOPO-MISXGVKJSA-N 1 0 266.360 2.975 20 70 CFIDRO CC[C@@H](C)NC(=O)CC[NH2+]Cc1cccc2cc[nH]c21 ZINC000218145863 382789266 /nfs/dbraw/zinc/78/92/66/382789266.db2.gz WDQCNRJOYZQOHE-GFCCVEGCSA-N 1 0 273.380 2.562 20 70 CFIDRO C[C@@H](C1CC1)[N@H+](Cc1cnnn1C)Cc1ccccc1 ZINC000159671758 394365795 /nfs/dbraw/zinc/36/57/95/394365795.db2.gz RENPIQBNCDAOCT-ZDUSSCGKSA-N 1 0 270.380 2.616 20 70 CFIDRO CC(C)(C[NH3+])C(=O)N1CC2(CCCC2)c2ccccc21 ZINC000159368130 394365819 /nfs/dbraw/zinc/36/58/19/394365819.db2.gz LIJZXHFUIQHUAU-UHFFFAOYSA-N 1 0 272.392 2.830 20 70 CFIDRO C[C@H]([NH2+][C@@H]1CCCN(C2CCCCC2)C1)[C@H]1CCOC1 ZINC000160058029 394366130 /nfs/dbraw/zinc/36/61/30/394366130.db2.gz TZJLQQWOMBHRPB-HRCADAONSA-N 1 0 280.456 2.798 20 70 CFIDRO CC[C@@H](C)C[N@H+](CC)[C@@H](C)C(=O)Nc1nccs1 ZINC000160518824 394366384 /nfs/dbraw/zinc/36/63/84/394366384.db2.gz IPZYVIFFPYWYGZ-MNOVXSKESA-N 1 0 269.414 2.838 20 70 CFIDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@H]1CCC[C@@H](C)C1 ZINC000160366036 394366548 /nfs/dbraw/zinc/36/65/48/394366548.db2.gz RDYRHDOSNIIEDN-ILXRZTDVSA-N 1 0 266.429 2.803 20 70 CFIDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1CCC[C@@H](C)C1 ZINC000160366246 394366618 /nfs/dbraw/zinc/36/66/18/394366618.db2.gz RDYRHDOSNIIEDN-QLFBSQMISA-N 1 0 266.429 2.803 20 70 CFIDRO Cc1ccc([C@@H](C)[NH2+]CCCN2CCCC2=O)c(C)c1 ZINC000159545958 292195941 /nfs/dbraw/zinc/19/59/41/292195941.db2.gz QUOJKWYZWKGRDP-OAHLLOKOSA-N 1 0 274.408 2.967 20 70 CFIDRO CCO[C@H]1C[C@H](NC(=O)[C@@H]([NH3+])CC(C)C)C12CCCCC2 ZINC000161182771 286533397 /nfs/dbraw/zinc/53/33/97/286533397.db2.gz DINMGSCHLDJQLY-KKUMJFAQSA-N 1 0 296.455 2.604 20 70 CFIDRO CS[C@@H](C)CC(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000161378323 286688678 /nfs/dbraw/zinc/68/86/78/286688678.db2.gz HLDNGRBEEZUZJQ-ZFWWWQNUSA-N 1 0 294.464 2.856 20 70 CFIDRO C([C@@H]1CCCN1c1nc(C2CC2)ns1)[NH+]1CCCCC1 ZINC000160429824 275396433 /nfs/dbraw/zinc/39/64/33/275396433.db2.gz FODQFMYNSXIKAC-ZDUSSCGKSA-N 1 0 292.452 2.870 20 70 CFIDRO C([C@H]1CCCN1c1nc(C2CC2)ns1)[NH+]1CCCCC1 ZINC000160429945 275397509 /nfs/dbraw/zinc/39/75/09/275397509.db2.gz FODQFMYNSXIKAC-CYBMUJFWSA-N 1 0 292.452 2.870 20 70 CFIDRO CC(C)(C)c1ccc(N2CCC([NH2+]CCO)CC2)cc1 ZINC000159689041 275536246 /nfs/dbraw/zinc/53/62/46/275536246.db2.gz QJQDAEHCVAWXNR-UHFFFAOYSA-N 1 0 276.424 2.535 20 70 CFIDRO CCOCCC[N@@H+]1CC[C@H](c2ccc(OC)cc2)C1 ZINC000160034543 276316202 /nfs/dbraw/zinc/31/62/02/276316202.db2.gz HGJXRBNJRGINPP-HNNXBMFYSA-N 1 0 263.381 2.911 20 70 CFIDRO CO[C@@]1(C)C[C@@H]([NH2+]Cc2ccccc2NC(C)=O)C1(C)C ZINC000160511881 277702253 /nfs/dbraw/zinc/70/22/53/277702253.db2.gz CODOOPPEMDYLKN-WBVHZDCISA-N 1 0 290.407 2.938 20 70 CFIDRO CSC[C@@](C)(O)C[NH2+]Cc1ccccc1C(F)(F)F ZINC000217867403 278136579 /nfs/dbraw/zinc/13/65/79/278136579.db2.gz GIBOFKJKCZJCRQ-LBPRGKRZSA-N 1 0 293.354 2.909 20 70 CFIDRO Cc1nc(Cl)cc(N2CCC[C@@H]2C[NH+]2CCCCC2)n1 ZINC000160445284 293279087 /nfs/dbraw/zinc/27/90/87/293279087.db2.gz UZQYBOSOJDCOBF-CYBMUJFWSA-N 1 0 294.830 2.893 20 70 CFIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)C(C)(C)c1ccccc1)CC2 ZINC000160321656 302681811 /nfs/dbraw/zinc/68/18/11/302681811.db2.gz KESIIMOMAVDQKX-BBRMVZONSA-N 1 0 298.434 2.857 20 70 CFIDRO CCC[C@H]([NH2+][C@H]1CCN(C(=O)CC)C1)c1ccccn1 ZINC000159385096 322322313 /nfs/dbraw/zinc/32/23/13/322322313.db2.gz LWUQCZVCZLYPCA-ZFWWWQNUSA-N 1 0 275.396 2.523 20 70 CFIDRO COCCCC[NH+]1CCN([C@H](C)c2cccc(F)c2)CC1 ZINC000159498477 322323537 /nfs/dbraw/zinc/32/35/37/322323537.db2.gz WBFYLOHECRJMAR-OAHLLOKOSA-N 1 0 294.414 2.931 20 70 CFIDRO Cc1cc(C)c(C[N@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)cc1C ZINC000159502761 322323710 /nfs/dbraw/zinc/32/37/10/322323710.db2.gz ZQLBSCGMYGBMQZ-GJZGRUSLSA-N 1 0 274.408 2.698 20 70 CFIDRO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]21)NC(C1CC1)C1CC1 ZINC000159579916 322324460 /nfs/dbraw/zinc/32/44/60/322324460.db2.gz ZVRHWJGUBFAGLP-WFASDCNBSA-N 1 0 276.424 2.556 20 70 CFIDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)NCC1(C2CC2)CCC1 ZINC000159612741 322325012 /nfs/dbraw/zinc/32/50/12/322325012.db2.gz DOHXWNRYGCITLC-AWEZNQCLSA-N 1 0 293.455 2.740 20 70 CFIDRO Cc1ccc(CNC(=O)C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)cc1 ZINC000159657423 322326095 /nfs/dbraw/zinc/32/60/95/322326095.db2.gz NURCLROFXNLJSW-IRXDYDNUSA-N 1 0 286.419 2.876 20 70 CFIDRO C[C@H](CNC(=O)NCC1(C2CC2)CCC1)C[NH+]1CCCC1 ZINC000159660204 322326179 /nfs/dbraw/zinc/32/61/79/322326179.db2.gz DYLJJJYUXXULES-CQSZACIVSA-N 1 0 293.455 2.598 20 70 CFIDRO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]21)NCc1cccs1 ZINC000159658007 322326517 /nfs/dbraw/zinc/32/65/17/322326517.db2.gz BLZOXSDDKTUGJO-JSGCOSHPSA-N 1 0 278.421 2.629 20 70 CFIDRO C[C@@H](CNC(=O)NCC1(C2CC2)CC1)C[NH+]1CCCCC1 ZINC000159686581 322326669 /nfs/dbraw/zinc/32/66/69/322326669.db2.gz OGUZWDKRXWXQAT-AWEZNQCLSA-N 1 0 293.455 2.598 20 70 CFIDRO CCc1cccc(OCC[N@H+](C)C[C@@H]2CCC[C@@H]2O)c1 ZINC000159724997 322327548 /nfs/dbraw/zinc/32/75/48/322327548.db2.gz XBIQCQFUHUWYGS-RDJZCZTQSA-N 1 0 277.408 2.721 20 70 CFIDRO CC(C)[C@@H](C)NC(=O)C[N@H+](CCc1nccs1)C(C)C ZINC000159767450 322327886 /nfs/dbraw/zinc/32/78/86/322327886.db2.gz JXYWURCIBHCNES-CYBMUJFWSA-N 1 0 297.468 2.557 20 70 CFIDRO CCC(C)(C)NC(=O)C[N@H+](CCc1nccs1)C(C)C ZINC000159791064 322328216 /nfs/dbraw/zinc/32/82/16/322328216.db2.gz VLLYBIUTVOLAOG-UHFFFAOYSA-N 1 0 297.468 2.701 20 70 CFIDRO CC[NH+]1CCC(CCNC(=O)N[C@@H](C)CC(C)C)CC1 ZINC000159875533 322329067 /nfs/dbraw/zinc/32/90/67/322329067.db2.gz RFKDKKLKOJOVOM-AWEZNQCLSA-N 1 0 283.460 2.842 20 70 CFIDRO CCCC(=O)Nc1cccc(C[NH2+][C@H](CC)COC)c1 ZINC000159934721 322330314 /nfs/dbraw/zinc/33/03/14/322330314.db2.gz WVMDTZBYGYQSLC-CQSZACIVSA-N 1 0 278.396 2.940 20 70 CFIDRO CC(C)C[C@@H](C)NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000160028940 322331976 /nfs/dbraw/zinc/33/19/76/322331976.db2.gz AEKNRRYBFNCJHJ-OLZOCXBDSA-N 1 0 271.449 2.697 20 70 CFIDRO CC(C)C[C@H](C)NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000160029259 322332053 /nfs/dbraw/zinc/33/20/53/322332053.db2.gz AEKNRRYBFNCJHJ-QWHCGFSZSA-N 1 0 271.449 2.697 20 70 CFIDRO CC(C)C[C@H](C)NC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000160245852 322335053 /nfs/dbraw/zinc/33/50/53/322335053.db2.gz RZSDLGJUTDZXFG-GJZGRUSLSA-N 1 0 283.460 2.698 20 70 CFIDRO Cc1cccc([C@H]2CCC[N@@H+]2CCOC[C@@H]2CCCO2)n1 ZINC000160240166 322335328 /nfs/dbraw/zinc/33/53/28/322335328.db2.gz ULPWJKREONYUKF-DOTOQJQBSA-N 1 0 290.407 2.723 20 70 CFIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1C=CCCC1 ZINC000160270948 322335790 /nfs/dbraw/zinc/33/57/90/322335790.db2.gz RLBSURUFCQVCJZ-LSDHHAIUSA-N 1 0 279.428 2.515 20 70 CFIDRO CSc1cc(C(=O)NCC2CC[NH+](C)CC2)ccc1F ZINC000160366625 322336767 /nfs/dbraw/zinc/33/67/67/322336767.db2.gz UZOALFLGDZPUDF-UHFFFAOYSA-N 1 0 296.411 2.619 20 70 CFIDRO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(-c2ccccc2)cs1 ZINC000160362807 322336771 /nfs/dbraw/zinc/33/67/71/322336771.db2.gz IJVLLPSWLFTQNP-HNNXBMFYSA-N 1 0 286.400 2.865 20 70 CFIDRO CC[C@@]1(C)C[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000160401527 322337518 /nfs/dbraw/zinc/33/75/18/322337518.db2.gz OUHSNNQRNFVLOP-FMKPAKJESA-N 1 0 266.429 2.659 20 70 CFIDRO COCC[C@H](C)[NH2+]C[C@H](C1CCCCC1)N(C)C ZINC000160416790 322338089 /nfs/dbraw/zinc/33/80/89/322338089.db2.gz GIOQXDXEBLQMIU-DZGCQCFKSA-N 1 0 256.434 2.512 20 70 CFIDRO COCC[C@@H](C)[NH2+]C[C@H](C1CCCCC1)N(C)C ZINC000160416921 322338163 /nfs/dbraw/zinc/33/81/63/322338163.db2.gz GIOQXDXEBLQMIU-UKRRQHHQSA-N 1 0 256.434 2.512 20 70 CFIDRO Cn1c(C[NH+]2CCCCCC2)nnc1-c1ccccc1 ZINC000160667429 322341276 /nfs/dbraw/zinc/34/12/76/322341276.db2.gz UAWSMFVJYFTSOM-UHFFFAOYSA-N 1 0 270.380 2.858 20 70 CFIDRO CC[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)C2CCCC2)C1 ZINC000160664582 322341319 /nfs/dbraw/zinc/34/13/19/322341319.db2.gz IEYFWYQERXHVIG-ZDUSSCGKSA-N 1 0 266.429 2.661 20 70 CFIDRO COCC[C@H](C)[NH2+]CCCCc1nc(C)cs1 ZINC000160702401 322341765 /nfs/dbraw/zinc/34/17/65/322341765.db2.gz VDRTWHYOVBOBEB-NSHDSACASA-N 1 0 256.415 2.789 20 70 CFIDRO CS[C@H](C)CC(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000160718536 322341804 /nfs/dbraw/zinc/34/18/04/322341804.db2.gz XDHMKKXIZKPOFJ-CYBMUJFWSA-N 1 0 286.485 2.708 20 70 CFIDRO CCCCC[N@H+](Cc1nncn1C)[C@@H](C)CCC ZINC000160853666 322344283 /nfs/dbraw/zinc/34/42/83/322344283.db2.gz XKYRQKRQEQDHGT-ZDUSSCGKSA-N 1 0 252.406 2.996 20 70 CFIDRO C[C@@H]([NH2+]C[C@@H]1CCc2ccccc21)c1cnccn1 ZINC000160973047 322345405 /nfs/dbraw/zinc/34/54/05/322345405.db2.gz WGKSUKLEADHCLC-OCCSQVGLSA-N 1 0 253.349 2.857 20 70 CFIDRO C[C@H](CC1CCOCC1)[NH2+][C@H](CCO)c1ccccc1 ZINC000161103595 322346940 /nfs/dbraw/zinc/34/69/40/322346940.db2.gz AIGQUKBIAGLZSR-RHSMWYFYSA-N 1 0 277.408 2.905 20 70 CFIDRO CCCN(Cc1ccc(C)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000161116118 322347653 /nfs/dbraw/zinc/34/76/53/322347653.db2.gz RWISZAABYPYJOC-CQSZACIVSA-N 1 0 299.411 2.533 20 70 CFIDRO Cc1cc(C(=O)NCC(C)(C)C[NH+](C)C)cc(C)c1F ZINC000161141570 322347935 /nfs/dbraw/zinc/34/79/35/322347935.db2.gz WXTGMFNCSRICJZ-UHFFFAOYSA-N 1 0 280.387 2.760 20 70 CFIDRO CCC[N@H+](CCO)Cc1cccn1CCC(C)C ZINC000161237114 322349212 /nfs/dbraw/zinc/34/92/12/322349212.db2.gz SGSUTVXNGYRFGK-UHFFFAOYSA-N 1 0 252.402 2.739 20 70 CFIDRO CSc1cc(C(=O)N(C)CC[NH+]2CCCC2)ccc1F ZINC000161366273 322351026 /nfs/dbraw/zinc/35/10/26/322351026.db2.gz AEQFROAVATYAER-UHFFFAOYSA-N 1 0 296.411 2.715 20 70 CFIDRO CC[NH+](CC)CCNC(=O)N1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000161480761 322352519 /nfs/dbraw/zinc/35/25/19/322352519.db2.gz UPYXRKVJOWGGCH-ILXRZTDVSA-N 1 0 281.444 2.691 20 70 CFIDRO CC(C)n1cc([C@H](C)[NH2+]C[C@@H]2CCCC[C@@H]2O)cn1 ZINC000160621735 519979443 /nfs/dbraw/zinc/97/94/43/519979443.db2.gz WLCGBAWUJVQHCL-YDHLFZDLSA-N 1 0 265.401 2.666 20 70 CFIDRO CC(C)n1cc([C@H](C)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cn1 ZINC000161122909 519980299 /nfs/dbraw/zinc/98/02/99/519980299.db2.gz KMJQNSCDHJOALR-IMJJTQAJSA-N 1 0 278.444 2.987 20 70 CFIDRO CC[NH+](CC)[C@H](C)CNC(=O)[C@H](C)c1ccsc1 ZINC000160071761 520856605 /nfs/dbraw/zinc/85/66/05/520856605.db2.gz AAGQRIGMRPXMLM-VXGBXAGGSA-N 1 0 268.426 2.698 20 70 CFIDRO CCOc1ccc(C[N@H+](C)[C@H]2CCCC[C@@H]2O)cc1 ZINC000161074790 520965537 /nfs/dbraw/zinc/96/55/37/520965537.db2.gz GHWDOFKOVXGXIQ-HOTGVXAUSA-N 1 0 263.381 2.821 20 70 CFIDRO CCN1CCCC[C@H]1C[NH2+][C@@H](C)c1cncs1 ZINC000161173697 521602743 /nfs/dbraw/zinc/60/27/43/521602743.db2.gz WGAISUPGXRXSGC-RYUDHWBXSA-N 1 0 253.415 2.668 20 70 CFIDRO CCN1CCCC[C@H]1C[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000161206393 521603831 /nfs/dbraw/zinc/60/38/31/521603831.db2.gz CBXYCKBNEAJNNR-HOCLYGCPSA-N 1 0 278.444 2.989 20 70 CFIDRO CC[C@@H](C)[N@H+](C)CCNCc1c[nH]nc1-c1cccs1 ZINC000217392099 522060438 /nfs/dbraw/zinc/06/04/38/522060438.db2.gz KRGDONNDUIJUFC-GFCCVEGCSA-N 1 0 292.452 2.958 20 70 CFIDRO CC[C@@H](C)c1cc(C(=O)N[C@H](C)C[NH+]2CCCCC2)on1 ZINC000160369701 522425215 /nfs/dbraw/zinc/42/52/15/522425215.db2.gz GHLZMJUQDYYTEH-CHWSQXEVSA-N 1 0 293.411 2.792 20 70 CFIDRO CC[C@H]([NH2+][C@H](CCO)c1ccccc1)[C@@H]1CCOC1 ZINC000161067710 522745780 /nfs/dbraw/zinc/74/57/80/522745780.db2.gz VIOZBXJLDJHQIX-OWCLPIDISA-N 1 0 263.381 2.515 20 70 CFIDRO CC[C@@H]([NH2+]CCOCC(F)(F)F)c1c(C)nn(C)c1C ZINC000159375683 522837171 /nfs/dbraw/zinc/83/71/71/522837171.db2.gz QTTQDJQQFRSSCU-LLVKDONJSA-N 1 0 293.333 2.657 20 70 CFIDRO CC[C@@H]([NH2+]CCOCCOC)c1ccc(F)cc1F ZINC000160824634 522837598 /nfs/dbraw/zinc/83/75/98/522837598.db2.gz IKDQAVMILVPJIK-CQSZACIVSA-N 1 0 273.323 2.669 20 70 CFIDRO CC[C@@H]([NH2+]C[C@@H](C)N(C)Cc1ccccc1)[C@@H]1CCOC1 ZINC000160882804 522846987 /nfs/dbraw/zinc/84/69/87/522846987.db2.gz ATERHQCISOMBFN-KBAYOESNSA-N 1 0 290.451 2.912 20 70 CFIDRO CO[C@@]1(C[NH2+]CC[C@@H](C)c2ccccc2)CCOC1 ZINC000160079510 523816240 /nfs/dbraw/zinc/81/62/40/523816240.db2.gz DXNOXQKWOSYIBC-GDBMZVCRSA-N 1 0 263.381 2.575 20 70 CFIDRO CN(C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)[C@@H](C[NH3+])C1CC1 ZINC000159776017 523898677 /nfs/dbraw/zinc/89/86/77/523898677.db2.gz RYTRJPOHVVJBNV-XZDPQHSOSA-N 1 0 278.440 2.789 20 70 CFIDRO CCc1ccc(CC(=O)NC[C@@H](C)C[NH+]2CCCC2)cc1 ZINC000161068745 523907458 /nfs/dbraw/zinc/90/74/58/523907458.db2.gz ADGOPINSDBFZIF-OAHLLOKOSA-N 1 0 288.435 2.640 20 70 CFIDRO CN(C(=O)c1cccc2ccccc21)[C@@H](C[NH3+])C1CC1 ZINC000159881933 523947239 /nfs/dbraw/zinc/94/72/39/523947239.db2.gz AUWMWIOMGGLXOZ-INIZCTEOSA-N 1 0 268.360 2.649 20 70 CFIDRO CC[C@H](C)[NH2+]C1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000161009335 524002770 /nfs/dbraw/zinc/00/27/70/524002770.db2.gz BHSSMTDZNJZXKQ-AWEZNQCLSA-N 1 0 274.408 2.988 20 70 CFIDRO C[C@H](CNC(=O)[C@@H]1CCC[C@H](C)C1)C[NH+]1CCCC1 ZINC000161074673 524441763 /nfs/dbraw/zinc/44/17/63/524441763.db2.gz AVMVUJAQPFNJDG-RRFJBIMHSA-N 1 0 266.429 2.661 20 70 CFIDRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cc2ccccc2s1 ZINC000159551451 524567745 /nfs/dbraw/zinc/56/77/45/524567745.db2.gz AVZDQJQPAXSBRC-DGCLKSJQSA-N 1 0 288.416 2.987 20 70 CFIDRO C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)C[NH2+]CC1CC1 ZINC000159527583 524723677 /nfs/dbraw/zinc/72/36/77/524723677.db2.gz SFYWVOXRYLLPCS-PIGZYNQJSA-N 1 0 290.382 2.565 20 70 CFIDRO Cc1cccc([C@H](C)[NH2+]CC(=O)NC2CCCC2)c1 ZINC000160246999 524872659 /nfs/dbraw/zinc/87/26/59/524872659.db2.gz NZWAJBJYSMOLJX-ZDUSSCGKSA-N 1 0 260.381 2.704 20 70 CFIDRO COc1ccc([C@@H](C)[NH2+][C@@H](CCO)CSC)cc1F ZINC000160218505 525161416 /nfs/dbraw/zinc/16/14/16/525161416.db2.gz LWYJXAHKJKWYOI-PWSUYJOCSA-N 1 0 287.400 2.599 20 70 CFIDRO C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000159430378 525290462 /nfs/dbraw/zinc/29/04/62/525290462.db2.gz QGQFBVDEMWYDIY-WWGRRREGSA-N 1 0 290.382 2.877 20 70 CFIDRO C[C@H]([NH2+]Cc1ccccc1CN1CCOCC1)C1(C)CC1 ZINC000160488675 525461826 /nfs/dbraw/zinc/46/18/26/525461826.db2.gz KJQBQFXFTOJZFN-HNNXBMFYSA-N 1 0 288.435 2.797 20 70 CFIDRO Cc1cc2c(cc1C)[C@H]([NH2+]CC(=O)NC(C)C)CCCO2 ZINC000160959381 525603523 /nfs/dbraw/zinc/60/35/23/525603523.db2.gz HMECVLCBCALITM-OAHLLOKOSA-N 1 0 290.407 2.631 20 70 CFIDRO CSC[C@H](CCO)[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000160396850 525698551 /nfs/dbraw/zinc/69/85/51/525698551.db2.gz AEIQYPQWJWNMJX-JSGCOSHPSA-N 1 0 253.411 2.760 20 70 CFIDRO Cc1ccc(C(=O)CC[N@@H+](C)[C@H](CO)C(C)(C)C)cc1 ZINC000160904353 526042628 /nfs/dbraw/zinc/04/26/28/526042628.db2.gz YKQWATKEVNRXSP-MRXNPFEDSA-N 1 0 277.408 2.907 20 70 CFIDRO c1nc2ccccn2c1C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000160982927 526610417 /nfs/dbraw/zinc/61/04/17/526610417.db2.gz TUQAQGGOZZEQAE-OKILXGFUSA-N 1 0 255.365 2.956 20 70 CFIDRO O=C(C[C@@H]1CCC[NH2+]1)N[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000159449851 527118447 /nfs/dbraw/zinc/11/84/47/527118447.db2.gz ILTUJCQBTGRQRL-IKGGRYGDSA-N 1 0 286.419 2.656 20 70 CFIDRO CC(C)C1(CNC(=O)[C@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000160819497 527612966 /nfs/dbraw/zinc/61/29/66/527612966.db2.gz PYSFQGYUXARZOU-UONOGXRCSA-N 1 0 266.429 2.837 20 70 CFIDRO CCC[C@@H](CC1CCCC1)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000160584180 528928200 /nfs/dbraw/zinc/92/82/00/528928200.db2.gz NWQSOVONLPQHMJ-LSDHHAIUSA-N 1 0 266.429 2.803 20 70 CFIDRO CC[N@@H+]1CCCN(C(=O)NCC2(CC(C)C)CC2)CC1 ZINC000159970769 529022492 /nfs/dbraw/zinc/02/24/92/529022492.db2.gz GMISMCDWPBKEIS-UHFFFAOYSA-N 1 0 281.444 2.550 20 70 CFIDRO CC[C@](C)(O)C[N@H+](C)Cc1nc2c(s1)CCCC2 ZINC000161387033 529372944 /nfs/dbraw/zinc/37/29/44/529372944.db2.gz WUZJHPDTAJNJMK-AWEZNQCLSA-N 1 0 268.426 2.615 20 70 CFIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(C)cc1C)CC2 ZINC000160489934 282117378 /nfs/dbraw/zinc/11/73/78/282117378.db2.gz ZYZAXDOLXGWWNV-ZFWWWQNUSA-N 1 0 284.407 2.869 20 70 CFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCCc3sccc31)CC2 ZINC000160493083 282126563 /nfs/dbraw/zinc/12/65/63/282126563.db2.gz PUEWRNHZNFWYFO-DGCLKSJQSA-N 1 0 288.420 2.630 20 70 CFIDRO CCC(CC)n1nccc1C(=O)NC[C@H](C)[NH+](CC)CC ZINC000161443402 282306287 /nfs/dbraw/zinc/30/62/87/282306287.db2.gz RGESVAOCFMDVEU-ZDUSSCGKSA-N 1 0 294.443 2.704 20 70 CFIDRO OCCCN(CCC[NH+]1CCCCC1)c1ccccc1 ZINC000161506754 232252419 /nfs/dbraw/zinc/25/24/19/232252419.db2.gz KFSPQSKXABEUHD-UHFFFAOYSA-N 1 0 276.424 2.751 20 70 CFIDRO C[C@@H](CC(=O)N1CCCCCC1)[NH2+][C@H]1CCCSC1 ZINC000159614260 348013580 /nfs/dbraw/zinc/01/35/80/348013580.db2.gz DRYCDWIPDWZRMZ-KBPBESRZSA-N 1 0 284.469 2.653 20 70 CFIDRO CCOCCC[NH+]1CCC(NC(=O)C2CCCCC2)CC1 ZINC000159745855 348014272 /nfs/dbraw/zinc/01/42/72/348014272.db2.gz PXTWWGRJOWMEDD-UHFFFAOYSA-N 1 0 296.455 2.574 20 70 CFIDRO CCS[C@@H]1CCCCN(C(=O)CC[NH2+]C(C)C)C1 ZINC000159765082 348014486 /nfs/dbraw/zinc/01/44/86/348014486.db2.gz NIUQOSHBSQLZHM-CYBMUJFWSA-N 1 0 272.458 2.509 20 70 CFIDRO C[C@@H](Cc1ccsc1)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000160458203 348017980 /nfs/dbraw/zinc/01/79/80/348017980.db2.gz DFDHIGWMEHMSEE-YUTCNCBUSA-N 1 0 253.411 2.820 20 70 CFIDRO C[C@@H](C[NH2+][C@@H]1CCCc2cccnc21)N(C)C1CC1 ZINC000217596107 539658627 /nfs/dbraw/zinc/65/86/27/539658627.db2.gz RZYUUSKRARDKOV-SWLSCSKDSA-N 1 0 259.397 2.531 20 70 CFIDRO O=C(c1cccc(C(F)(F)F)c1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000159395964 188423851 /nfs/dbraw/zinc/42/38/51/188423851.db2.gz WSTGUWDYBXYFLK-AWEZNQCLSA-N 1 0 298.308 2.531 20 70 CFIDRO CCOC(CC[NH2+]Cc1ccc(OC)cc1OC)OCC ZINC000159547065 188431199 /nfs/dbraw/zinc/43/11/99/188431199.db2.gz UHNHIEVSZDVVQW-UHFFFAOYSA-N 1 0 297.395 2.583 20 70 CFIDRO C[C@H](C[NH2+][C@H](C)[C@@H]1CCOC1)N1CCc2sccc2C1 ZINC000159852162 188445381 /nfs/dbraw/zinc/44/53/81/188445381.db2.gz KEABZKZBYMNPRE-UMVBOHGHSA-N 1 0 294.464 2.509 20 70 CFIDRO [NH3+]C[C@@H]1CCCN1C(=O)/C=C/c1c(Cl)cccc1Cl ZINC000160222921 188461150 /nfs/dbraw/zinc/46/11/50/188461150.db2.gz GXXKRSKJYZOMEO-FGEFZZPRSA-N 1 0 299.201 2.956 20 70 CFIDRO CCc1ccc(-c2ccc(C(=O)N3CC[C@H]([NH2+]C)C3)o2)cc1 ZINC000160684393 188486338 /nfs/dbraw/zinc/48/63/38/188486338.db2.gz FFVWOSOPVBWAGI-HNNXBMFYSA-N 1 0 298.386 2.943 20 70 CFIDRO CC[C@H](NC(=O)[C@H]1CC[C@H]([NH3+])C1)C(C)(C)c1ccccc1 ZINC000160761091 188489794 /nfs/dbraw/zinc/48/97/94/188489794.db2.gz SMWVATUGSWCXSS-BPUTZDHNSA-N 1 0 288.435 2.986 20 70 CFIDRO COCCOc1ccccc1C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000160611812 188483210 /nfs/dbraw/zinc/48/32/10/188483210.db2.gz HMCKHLTXYROCQI-OAHLLOKOSA-N 1 0 293.407 2.759 20 70 CFIDRO CC[N@H+](C)Cc1cccc(CNC(=O)C[C@H](C)SC)c1 ZINC000160857343 188494592 /nfs/dbraw/zinc/49/45/92/188494592.db2.gz SBNANJWWUNAYMK-ZDUSSCGKSA-N 1 0 294.464 2.896 20 70 CFIDRO CC(C)NC(=O)C[NH2+][C@H]1c2cccc(F)c2CC[C@@H]1C ZINC000160914880 188498039 /nfs/dbraw/zinc/49/80/39/188498039.db2.gz FCUCKEVGLNOIOF-MEDUHNTESA-N 1 0 278.371 2.563 20 70 CFIDRO CC[C@H](COC)[NH2+]C[C@@H](C)COCc1ccccc1 ZINC000161310527 188520347 /nfs/dbraw/zinc/52/03/47/188520347.db2.gz OBMARFSISPPUMQ-GDBMZVCRSA-N 1 0 265.397 2.854 20 70 CFIDRO CC(C)C[C@H]1CCCCCN1C(=O)[C@H]1CCC[NH2+]C1 ZINC000161298904 188520738 /nfs/dbraw/zinc/52/07/38/188520738.db2.gz SKSNOFATZIMHTA-LSDHHAIUSA-N 1 0 266.429 2.803 20 70 CFIDRO O=C(c1cc2cccc(F)c2o1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159661401 540660692 /nfs/dbraw/zinc/66/06/92/540660692.db2.gz LSHBEJYMZYAQAY-TXEJJXNPSA-N 1 0 288.322 2.538 20 70 CFIDRO Cc1ccc([C@H](C)CNC(=O)[C@H]([NH3+])CC(C)C)cc1 ZINC000159655440 540661132 /nfs/dbraw/zinc/66/11/32/540661132.db2.gz RYIRGXQOUSHHCB-UKRRQHHQSA-N 1 0 262.397 2.588 20 70 CFIDRO CCCn1nccc1C[NH2+][C@H](C)c1cccc(O)c1 ZINC000160084353 540668190 /nfs/dbraw/zinc/66/81/90/540668190.db2.gz UUHMBJFDOAFUQV-GFCCVEGCSA-N 1 0 259.353 2.850 20 70 CFIDRO CSc1ccc(C)c(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000160881635 540682386 /nfs/dbraw/zinc/68/23/86/540682386.db2.gz LYBZZCHLAQJZQW-RYUDHWBXSA-N 1 0 278.421 2.717 20 70 CFIDRO Cc1cccc(OCCCC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000161175257 540690171 /nfs/dbraw/zinc/69/01/71/540690171.db2.gz SSJLMYJSRKAMFP-HUUCEWRRSA-N 1 0 290.407 2.540 20 70 CFIDRO O=C(NC[C@@H]1CCCC[NH2+]1)c1cc2ccc(F)cc2s1 ZINC000161198191 540690440 /nfs/dbraw/zinc/69/04/40/540690440.db2.gz RVAHFDGNWBWFJD-LBPRGKRZSA-N 1 0 292.379 2.912 20 70 CFIDRO Cc1ccc(CCCC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000161226179 540690648 /nfs/dbraw/zinc/69/06/48/540690648.db2.gz UOCIVSPLMZBSPM-CHWSQXEVSA-N 1 0 280.437 2.765 20 70 CFIDRO Cc1ccc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1Cl ZINC000161111810 540688941 /nfs/dbraw/zinc/68/89/41/540688941.db2.gz ZLVWFBMFZTXROY-RYUDHWBXSA-N 1 0 266.772 2.648 20 70 CFIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2cc(Cl)ccc2Cl)C1 ZINC000161182963 540690721 /nfs/dbraw/zinc/69/07/21/540690721.db2.gz MBBGGKXSXFJAPO-ZJUUUORDSA-N 1 0 287.190 2.993 20 70 CFIDRO Cc1cccc(OCCCC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000161175392 540689816 /nfs/dbraw/zinc/68/98/16/540689816.db2.gz SSJLMYJSRKAMFP-CABCVRRESA-N 1 0 290.407 2.540 20 70 CFIDRO C[C@@H]([NH3+])C(=O)N[C@@H](CC1CCCCC1)C(C)(C)C ZINC000160073491 296014914 /nfs/dbraw/zinc/01/49/14/296014914.db2.gz BFMGYLUCCGFUCA-YPMHNXCESA-N 1 0 254.418 2.835 20 70 CFIDRO CC[NH+](CC)[C@H]1CCN(C(=O)C[C@@H](C)c2ccncc2)C1 ZINC000160824565 541479818 /nfs/dbraw/zinc/47/98/18/541479818.db2.gz LHSXUSYXTYTXBS-ZBFHGGJFSA-N 1 0 289.423 2.518 20 70 CFIDRO C[C@@H](CC(=O)Nc1cc(C[NH+](C)C)ccn1)c1ccncc1 ZINC000161255111 541572031 /nfs/dbraw/zinc/57/20/31/541572031.db2.gz CKJSBIPWQXJUQN-ZDUSSCGKSA-N 1 0 298.390 2.671 20 70 CFIDRO CC[NH+](CC)Cc1cccc(NC(=O)c2cc(C)ncn2)c1 ZINC000161502714 541663128 /nfs/dbraw/zinc/66/31/28/541663128.db2.gz UPBWPINERSHQKB-UHFFFAOYSA-N 1 0 298.390 2.879 20 70 CFIDRO Cc1c(C[NH2+]Cc2ccc(OC(C)C)cc2)cnn1C ZINC000159917428 378737304 /nfs/dbraw/zinc/73/73/04/378737304.db2.gz IIOFXYHEOQTXSN-UHFFFAOYSA-N 1 0 273.380 2.806 20 70 CFIDRO Cc1cc(OCCCC(=O)NCC(C)(C)[NH3+])ccc1Cl ZINC000159981306 378742500 /nfs/dbraw/zinc/74/25/00/378742500.db2.gz DGBNHSWDWASOIM-UHFFFAOYSA-N 1 0 298.814 2.661 20 70 CFIDRO O=C(NC1(c2ccccc2)CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000160050013 378744948 /nfs/dbraw/zinc/74/49/48/378744948.db2.gz QTGKKAIKQMQKSJ-OAHLLOKOSA-N 1 0 286.419 2.962 20 70 CFIDRO CC[N@@H+]1CC[C@H](NCc2ccc(OC(C)C)nc2)[C@H](C)C1 ZINC000160051907 378745496 /nfs/dbraw/zinc/74/54/96/378745496.db2.gz IWLXVRVJVJFNBD-ZBFHGGJFSA-N 1 0 291.439 2.689 20 70 CFIDRO [NH3+]CCCNC(=O)c1cc2c(s1)-c1ccccc1CC2 ZINC000160053366 378745682 /nfs/dbraw/zinc/74/56/82/378745682.db2.gz ODYABAFQUFICMR-UHFFFAOYSA-N 1 0 286.400 2.592 20 70 CFIDRO CC[C@@H](C(=O)N[C@@H]1CCSc2c(F)cccc21)[NH+](C)C ZINC000160097328 378748323 /nfs/dbraw/zinc/74/83/23/378748323.db2.gz ABBFACKOQWJTPW-OLZOCXBDSA-N 1 0 296.411 2.819 20 70 CFIDRO C[C@@]1(c2ccccc2)CCCN(C(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000160105139 378748711 /nfs/dbraw/zinc/74/87/11/378748711.db2.gz GASXAMSDLHFEPT-CRAIPNDOSA-N 1 0 286.419 2.566 20 70 CFIDRO Cc1cncc(N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000160233523 378757894 /nfs/dbraw/zinc/75/78/94/378757894.db2.gz DETSYUYOSOHCQJ-XJKSGUPXSA-N 1 0 282.391 2.717 20 70 CFIDRO COc1ccc2c(c1)[C@H]([NH2+]CC1(CO)CCCC1)CC2 ZINC000160115194 378750589 /nfs/dbraw/zinc/75/05/89/378750589.db2.gz FBKUTCKAZMNIJK-MRXNPFEDSA-N 1 0 275.392 2.825 20 70 CFIDRO CC(C)(C)c1ccc(CCC(=O)N2CCC[C@@H]2C[NH3+])cc1 ZINC000160188133 378753532 /nfs/dbraw/zinc/75/35/32/378753532.db2.gz BOYFDKTVOLMMSG-MRXNPFEDSA-N 1 0 288.435 2.866 20 70 CFIDRO O=C(c1cccc(C(F)(F)F)c1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000159396066 378706768 /nfs/dbraw/zinc/70/67/68/378706768.db2.gz WSTGUWDYBXYFLK-CQSZACIVSA-N 1 0 298.308 2.531 20 70 CFIDRO CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@H+](C)C[C@@H](C)O ZINC000159497060 378713340 /nfs/dbraw/zinc/71/33/40/378713340.db2.gz YAMKTZQVNBNKQD-MJBXVCDLSA-N 1 0 292.423 2.840 20 70 CFIDRO Cc1ccc([C@@H](C)[NH2+]CCCN2CCCC2=O)cc1C ZINC000159508730 378713552 /nfs/dbraw/zinc/71/35/52/378713552.db2.gz FRXREIIAQULBCS-OAHLLOKOSA-N 1 0 274.408 2.967 20 70 CFIDRO c1ccc(CN2CCC([NH2+][C@H]3CCCSC3)CC2)nc1 ZINC000159520106 378714266 /nfs/dbraw/zinc/71/42/66/378714266.db2.gz SNFIFWGFJZDPOX-INIZCTEOSA-N 1 0 291.464 2.531 20 70 CFIDRO C[N@@H+](Cc1ccc(F)c(F)c1)C[C@@H]1CCC[C@@H]1O ZINC000159539239 378715739 /nfs/dbraw/zinc/71/57/39/378715739.db2.gz YSBVRDIJWNOGIF-FZMZJTMJSA-N 1 0 255.308 2.558 20 70 CFIDRO Cc1cccc2c(CCNC(=O)C3([NH3+])CCCCC3)c[nH]c21 ZINC000159560693 378716590 /nfs/dbraw/zinc/71/65/90/378716590.db2.gz GGLNQANSNUSBHO-UHFFFAOYSA-N 1 0 299.418 2.797 20 70 CFIDRO C[C@@H](NC(=O)[C@H]1CCCC[NH2+]1)c1ccc(F)cc1Cl ZINC000159625255 378721729 /nfs/dbraw/zinc/72/17/29/378721729.db2.gz NMPKIBMDSWIUBV-NOZJJQNGSA-N 1 0 284.762 2.798 20 70 CFIDRO Clc1ccc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)cn1 ZINC000159649268 378722981 /nfs/dbraw/zinc/72/29/81/378722981.db2.gz XNIGWSPBNSIARK-UBHSHLNASA-N 1 0 278.783 2.782 20 70 CFIDRO C[NH+](C)[C@H](CNC(=O)[C@@H]1CC1(C)C)c1ccc(F)cc1 ZINC000159658248 378723156 /nfs/dbraw/zinc/72/31/56/378723156.db2.gz BFJGICFGRLAHIT-UONOGXRCSA-N 1 0 278.371 2.591 20 70 CFIDRO CC(C)[C@H]([NH3+])C(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000159812973 378731438 /nfs/dbraw/zinc/73/14/38/378731438.db2.gz NOQQKEZABVNVPM-OCCSQVGLSA-N 1 0 280.799 2.639 20 70 CFIDRO O=C([C@H]1CCC[NH2+]C1)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000159812157 378731997 /nfs/dbraw/zinc/73/19/97/378731997.db2.gz VGPJCTIKHFPVKK-UONOGXRCSA-N 1 0 292.810 2.656 20 70 CFIDRO CC(C)[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)NCC(F)(F)F ZINC000159842122 378733695 /nfs/dbraw/zinc/73/36/95/378733695.db2.gz OHBYTFGPFOFZQE-TUAOUCFPSA-N 1 0 294.361 2.858 20 70 CFIDRO Cc1ccc(C(=O)CCN2CCO[C@@H](C)[C@@H]2C)cc1 ZINC000160283465 378762186 /nfs/dbraw/zinc/76/21/86/378762186.db2.gz HPNTXQGRFCHZSP-KBPBESRZSA-N 1 0 261.365 2.677 20 70 CFIDRO CO[C@]1(C[NH2+]C[C@H]2CCCc3ccccc32)CCOC1 ZINC000160361329 378767141 /nfs/dbraw/zinc/76/71/41/378767141.db2.gz AZLVKCWGTJVWQJ-WBVHZDCISA-N 1 0 275.392 2.502 20 70 CFIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)s1)CC2 ZINC000160370373 378767210 /nfs/dbraw/zinc/76/72/10/378767210.db2.gz OVDMBGOAHFAPIK-WPRPVWTQSA-N 1 0 296.827 2.967 20 70 CFIDRO Cc1cccc(C)c1C[NH2+]CC(C)(C)N1CCOCC1 ZINC000160411424 378770476 /nfs/dbraw/zinc/77/04/76/378770476.db2.gz YPVUHSGBYTVVSK-UHFFFAOYSA-N 1 0 276.424 2.504 20 70 CFIDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)c1nc2cc(F)ccc2o1 ZINC000160426295 378772625 /nfs/dbraw/zinc/77/26/25/378772625.db2.gz HUGDUHCZGZGNIQ-GWCFXTLKSA-N 1 0 277.343 2.743 20 70 CFIDRO Cn1c(C[NH2+][C@@H]2CCOC(C)(C)C2)nc2ccccc21 ZINC000160524665 378779300 /nfs/dbraw/zinc/77/93/00/378779300.db2.gz AEHLIEYHXWMMQS-GFCCVEGCSA-N 1 0 273.380 2.621 20 70 CFIDRO CCc1nnc(C[NH2+][C@H](C)[C@@H](C)c2ccccc2)[nH]1 ZINC000160563424 378782879 /nfs/dbraw/zinc/78/28/79/378782879.db2.gz BICDJGAHAHBNRZ-VXGBXAGGSA-N 1 0 258.369 2.649 20 70 CFIDRO CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]CC(C)(C)O ZINC000160605101 378786599 /nfs/dbraw/zinc/78/65/99/378786599.db2.gz JTWIHAFMRPYBLY-ZDUSSCGKSA-N 1 0 292.423 2.888 20 70 CFIDRO CC[C@@H](NC(=O)C[C@H]1CCC[NH2+]1)c1cc(F)ccc1F ZINC000160659515 378789149 /nfs/dbraw/zinc/78/91/49/378789149.db2.gz BMCVYRPRCHAINV-BXUZGUMPSA-N 1 0 282.334 2.674 20 70 CFIDRO CC[C@H](NC(=O)C[C@H]1CCC[NH2+]1)c1cc(F)ccc1F ZINC000160659392 378789315 /nfs/dbraw/zinc/78/93/15/378789315.db2.gz BMCVYRPRCHAINV-RISCZKNCSA-N 1 0 282.334 2.674 20 70 CFIDRO COCC[C@@H](C)[NH2+]Cc1nnc(-c2ccccc2)s1 ZINC000160738986 378795479 /nfs/dbraw/zinc/79/54/79/378795479.db2.gz MPXDUEZVDSNLJV-LLVKDONJSA-N 1 0 277.393 2.720 20 70 CFIDRO CCC[N@H+](CCO)Cc1cccc(-c2cccnc2)c1 ZINC000161211726 378830637 /nfs/dbraw/zinc/83/06/37/378830637.db2.gz FJTOVKXNCYYRAO-UHFFFAOYSA-N 1 0 270.376 2.953 20 70 CFIDRO C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000161246922 378832387 /nfs/dbraw/zinc/83/23/87/378832387.db2.gz XWJQFLWSUAWEDV-CFVMTHIKSA-N 1 0 290.382 2.530 20 70 CFIDRO Cc1cc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)ccc1OC(C)C ZINC000160903038 378808146 /nfs/dbraw/zinc/80/81/46/378808146.db2.gz GXWWLECUFNRQQP-OLZOCXBDSA-N 1 0 276.380 2.848 20 70 CFIDRO CC[C@H](C)N(C)C(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000160968633 378813832 /nfs/dbraw/zinc/81/38/32/378813832.db2.gz KZLMKNUICDEPDP-LSDHHAIUSA-N 1 0 283.460 2.937 20 70 CFIDRO COC[C@@H](C)[NH2+][C@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000161043729 378816545 /nfs/dbraw/zinc/81/65/45/378816545.db2.gz YAUZIIIYKIHCEK-WBMJQRKESA-N 1 0 279.380 2.779 20 70 CFIDRO CC[C@H](Cc1ccccc1)N(C)C(=O)C[C@H]1CCC[NH2+]1 ZINC000161107873 378821590 /nfs/dbraw/zinc/82/15/90/378821590.db2.gz RQNYFCTXPRRQSX-HZPDHXFCSA-N 1 0 274.408 2.608 20 70 CFIDRO CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H](C)Oc1ccc(Cl)cc1 ZINC000161138010 378824105 /nfs/dbraw/zinc/82/41/05/378824105.db2.gz HQFOUCDKZNGQQU-MISXGVKJSA-N 1 0 298.814 2.597 20 70 CFIDRO Cc1ccc(SCC(F)(F)F)c(NC(=O)CC[NH3+])c1 ZINC000161132094 378825137 /nfs/dbraw/zinc/82/51/37/378825137.db2.gz VQLAIQJGQIZRLF-UHFFFAOYSA-N 1 0 292.326 2.937 20 70 CFIDRO C[N@H+](CCOc1ccc(Cl)cc1)Cc1ccc(CO)o1 ZINC000161158905 378828205 /nfs/dbraw/zinc/82/82/05/378828205.db2.gz KIPDDLUQJXAWNV-UHFFFAOYSA-N 1 0 295.766 2.936 20 70 CFIDRO Fc1cccc(F)c1CC[NH2+]C1CCC2(CC1)OCCO2 ZINC000161315366 378839919 /nfs/dbraw/zinc/83/99/19/378839919.db2.gz PBVNHDRHRFOFMQ-UHFFFAOYSA-N 1 0 297.345 2.783 20 70 CFIDRO CC(=O)NC1CCC([NH2+]CCc2cccc(C)c2)CC1 ZINC000161403817 378844174 /nfs/dbraw/zinc/84/41/74/378844174.db2.gz JFRUQTUONMMBSS-UHFFFAOYSA-N 1 0 274.408 2.574 20 70 CFIDRO Cc1ccnc(NC[C@H]2CCC[N@@H+](CC(C)C)C2)n1 ZINC000161304373 378837171 /nfs/dbraw/zinc/83/71/71/378837171.db2.gz TXPNMPRXGZDTHR-CQSZACIVSA-N 1 0 262.401 2.565 20 70 CFIDRO CC[N@H+](C[C@@H](O)c1cc2ccccc2o1)C[C@@H]1CCCO1 ZINC000216953295 382785224 /nfs/dbraw/zinc/78/52/24/382785224.db2.gz DKUBMMHXKILCOP-LSDHHAIUSA-N 1 0 289.375 2.967 20 70 CFIDRO CCN(CC[NH2+]Cc1cc(C)c(O)c(C)c1)C1CC1 ZINC000217409278 382786258 /nfs/dbraw/zinc/78/62/58/382786258.db2.gz FDYXYTVZLFPKSA-UHFFFAOYSA-N 1 0 262.397 2.583 20 70 CFIDRO CCOc1ccc(CN[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000217644338 382787170 /nfs/dbraw/zinc/78/71/70/382787170.db2.gz GBBKTUWDMNYVAZ-SJORKVTESA-N 1 0 274.408 2.802 20 70 CFIDRO CC[C@H](C)NC(=O)CC[NH2+]Cc1cccc2cc[nH]c21 ZINC000218145944 382789382 /nfs/dbraw/zinc/78/93/82/382789382.db2.gz WDQCNRJOYZQOHE-LBPRGKRZSA-N 1 0 273.380 2.562 20 70 CFIDRO C[C@H]([NH2+]CCCNC(=O)OC(C)(C)C)c1cscn1 ZINC000218241345 382789868 /nfs/dbraw/zinc/78/98/68/382789868.db2.gz AGXOOHAOUOQSQM-JTQLQIEISA-N 1 0 285.413 2.709 20 70 CFIDRO C[NH2+][C@@H]1CCN(C(=O)C(C)(C)CCCc2ccccc2)C1 ZINC000160491389 532955940 /nfs/dbraw/zinc/95/59/40/532955940.db2.gz BKWURVLOJCWUGW-MRXNPFEDSA-N 1 0 288.435 2.856 20 70 CFIDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CC2(C)C)C1 ZINC000160691640 296386360 /nfs/dbraw/zinc/38/63/60/296386360.db2.gz QEMVXLFZZLXNSF-OLZOCXBDSA-N 1 0 266.429 2.659 20 70 CFIDRO CCN(CC[NH2+]Cc1ccc2[nH]ccc2c1)C1CC1 ZINC000217427634 413064217 /nfs/dbraw/zinc/06/42/17/413064217.db2.gz DNOYXEANAZLWCN-UHFFFAOYSA-N 1 0 257.381 2.742 20 70 CFIDRO C[C@H](NC[C@H](C1CCCCC1)[NH+](C)C)c1cnccn1 ZINC000160402816 394366440 /nfs/dbraw/zinc/36/64/40/394366440.db2.gz LRIHMFFEYMIFAK-XJKSGUPXSA-N 1 0 276.428 2.638 20 70 CFIDRO CC(C)CNC(=O)[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C(C)C ZINC000160357137 394366616 /nfs/dbraw/zinc/36/66/16/394366616.db2.gz LQIGQNDQRUMGBF-ZNMIVQPWSA-N 1 0 268.445 2.952 20 70 CFIDRO C[C@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1cscn1 ZINC000218249351 397620807 /nfs/dbraw/zinc/62/08/07/397620807.db2.gz QGDRFSKMSNCXGD-QWRGUYRKSA-N 1 0 297.424 2.803 20 70 CFIDRO C[C@H]([NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCCO1 ZINC000218065856 397621032 /nfs/dbraw/zinc/62/10/32/397621032.db2.gz HGOXCGRYVNMLKF-IHRRRGAJSA-N 1 0 298.427 2.543 20 70 CFIDRO CCO[C@@H]1C[C@H](NC(=O)[C@@H]([NH3+])CC(C)C)C12CCCCC2 ZINC000161182643 286371403 /nfs/dbraw/zinc/37/14/03/286371403.db2.gz DINMGSCHLDJQLY-SOUVJXGZSA-N 1 0 296.455 2.604 20 70 CFIDRO CCO[C@H]1C[C@@H](NC(=O)C(CC)(CC)C[NH3+])C12CCCC2 ZINC000161235142 286474293 /nfs/dbraw/zinc/47/42/93/286474293.db2.gz CPOPBVSPAWYIAW-KGLIPLIRSA-N 1 0 296.455 2.606 20 70 CFIDRO CC[C@@H](COC)[NH2+]C[C@@H](C)N1CCc2sccc2C1 ZINC000159878299 286850636 /nfs/dbraw/zinc/85/06/36/286850636.db2.gz KMXBVUXRINMWAI-OCCSQVGLSA-N 1 0 282.453 2.509 20 70 CFIDRO CC[NH+](CC)CCCNC(=O)NCCC1CCCCC1 ZINC000217305154 260098173 /nfs/dbraw/zinc/09/81/73/260098173.db2.gz NKVKPTYSRAXYNG-UHFFFAOYSA-N 1 0 283.460 2.988 20 70 CFIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1csc2c1CC[C@@H](C)C2 ZINC000161329016 277285394 /nfs/dbraw/zinc/28/53/94/277285394.db2.gz OZUOPMRWQZVISI-VXGBXAGGSA-N 1 0 292.448 2.697 20 70 CFIDRO CC(C)[C@H](c1ccccc1)N(C)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000159756688 277928581 /nfs/dbraw/zinc/92/85/81/277928581.db2.gz XNXNVVBESNOFGN-HZPDHXFCSA-N 1 0 274.408 2.842 20 70 CFIDRO C[C@H]1CCC[C@H](C(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000160009388 279684289 /nfs/dbraw/zinc/68/42/89/279684289.db2.gz YUMXGHGATNMQQY-GJZGRUSLSA-N 1 0 278.440 2.900 20 70 CFIDRO CC[C@@H](CC(=O)NCC(C)(C)[NH3+])c1ccc(C)cc1 ZINC000159944171 280135858 /nfs/dbraw/zinc/13/58/58/280135858.db2.gz ZNHDWQUNEAIMQL-ZDUSSCGKSA-N 1 0 262.397 2.732 20 70 CFIDRO Cc1cc([C@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)c(C)s1 ZINC000160332850 280651867 /nfs/dbraw/zinc/65/18/67/280651867.db2.gz FVRANQVEUGJKTC-GXFFZTMASA-N 1 0 290.436 2.930 20 70 CFIDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N2CCCC2)c(C)c1 ZINC000159729127 280980489 /nfs/dbraw/zinc/98/04/89/280980489.db2.gz GREHKWPMUCTKOT-LSDHHAIUSA-N 1 0 274.408 2.965 20 70 CFIDRO NC(=O)CC1CC[NH+](CC2CCCCCC2)CC1 ZINC000159830572 295037868 /nfs/dbraw/zinc/03/78/68/295037868.db2.gz BQWQSQBOWFEEHN-UHFFFAOYSA-N 1 0 252.402 2.544 20 70 CFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)C(C)(C)c1ccccc1)CC2 ZINC000160321784 302683777 /nfs/dbraw/zinc/68/37/77/302683777.db2.gz KESIIMOMAVDQKX-CZUORRHYSA-N 1 0 298.434 2.857 20 70 CFIDRO CC(C)(C)c1ccc(C(=O)N2CC[NH2+]C(C)(C)C2)s1 ZINC000159404353 322322419 /nfs/dbraw/zinc/32/24/19/322322419.db2.gz OMXOSWMELGUXKG-UHFFFAOYSA-N 1 0 280.437 2.870 20 70 CFIDRO CSc1cc(C(=O)NC[C@H](C2CC2)[NH+](C)C)ccc1F ZINC000159463428 322323084 /nfs/dbraw/zinc/32/30/84/322323084.db2.gz UDMPWOUFGKKFIU-CYBMUJFWSA-N 1 0 296.411 2.618 20 70 CFIDRO Cc1ccsc1CCCC(=O)NCC(C)(C)[NH+](C)C ZINC000159534215 322324186 /nfs/dbraw/zinc/32/41/86/322324186.db2.gz CYSZGXDPLOOPGY-UHFFFAOYSA-N 1 0 282.453 2.836 20 70 CFIDRO CCc1ccc([C@@H](CNC(=O)C2(C)CC2)[NH+](C)C)cc1 ZINC000159652146 322325647 /nfs/dbraw/zinc/32/56/47/322325647.db2.gz ZUBLWMWIXPDIOU-OAHLLOKOSA-N 1 0 274.408 2.768 20 70 CFIDRO C[NH+]1CCC(CCNC(=O)NCC2(C3CC3)CCC2)CC1 ZINC000159770688 322327835 /nfs/dbraw/zinc/32/78/35/322327835.db2.gz ACRUUGBIKLMOFC-UHFFFAOYSA-N 1 0 293.455 2.598 20 70 CFIDRO CS[C@H](C)CNC(=O)NCCC[NH+](C(C)C)C(C)C ZINC000159945916 322331049 /nfs/dbraw/zinc/33/10/49/322331049.db2.gz OWROETHFIYVJKQ-CYBMUJFWSA-N 1 0 289.489 2.546 20 70 CFIDRO Cc1ccc(CN2CCCC[C@H]([NH+]3CCCC3)C2)nc1 ZINC000160099104 322332551 /nfs/dbraw/zinc/33/25/51/322332551.db2.gz BQFVIMILEVWGOG-KRWDZBQOSA-N 1 0 273.424 2.840 20 70 CFIDRO CCSCC[C@H](C)[NH2+]C[C@H](O)COc1ccccc1 ZINC000160099641 322333028 /nfs/dbraw/zinc/33/30/28/322333028.db2.gz SUWQFNNSCBONCY-KBPBESRZSA-N 1 0 283.437 2.548 20 70 CFIDRO C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@H](C)C1CC1 ZINC000160135751 322333585 /nfs/dbraw/zinc/33/35/85/322333585.db2.gz DGRXJEAXPVYJGZ-CHWSQXEVSA-N 1 0 252.402 2.556 20 70 CFIDRO Cc1cccc([C@@H]2CCC[N@@H+]2CCOCC2CC2)n1 ZINC000160241002 322335130 /nfs/dbraw/zinc/33/51/30/322335130.db2.gz OODFEBGCQCCXIL-INIZCTEOSA-N 1 0 260.381 2.954 20 70 CFIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(F)c(F)c1 ZINC000160395166 322337301 /nfs/dbraw/zinc/33/73/01/322337301.db2.gz PVMJVCMPXNBVLD-CYBMUJFWSA-N 1 0 296.361 2.815 20 70 CFIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1F ZINC000160426200 322338111 /nfs/dbraw/zinc/33/81/11/322338111.db2.gz UUZOZISHCRFYGD-CYBMUJFWSA-N 1 0 278.371 2.676 20 70 CFIDRO CC[C@H]1CCCCN1C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160886887 322344715 /nfs/dbraw/zinc/34/47/15/322344715.db2.gz XRQIJSDXZCEYMI-GJZGRUSLSA-N 1 0 293.455 2.977 20 70 CFIDRO CC(C)[NH2+]CCC(=O)N[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000161054557 322346648 /nfs/dbraw/zinc/34/66/48/322346648.db2.gz UHJOHTOMBVQBMD-IRXDYDNUSA-N 1 0 288.435 2.902 20 70 CFIDRO CCO[C@H](CC[NH+](C)C)CNC(=O)C1CCC(C)(C)CC1 ZINC000161098705 322346870 /nfs/dbraw/zinc/34/68/70/322346870.db2.gz BPZCIMCAGZEHPR-OAHLLOKOSA-N 1 0 298.471 2.676 20 70 CFIDRO CCC[N@H+](Cc1ccc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000161097636 322347192 /nfs/dbraw/zinc/34/71/92/322347192.db2.gz FGNUCAGRVBKLPT-MRXNPFEDSA-N 1 0 295.448 2.703 20 70 CFIDRO C[C@@H]1C[C@@H](NC(=O)C2CCC(C)(C)CC2)C[N@@H+]1C1CC1 ZINC000161105649 322347430 /nfs/dbraw/zinc/34/74/30/322347430.db2.gz QTGLZDHKLQFNKF-TZMCWYRMSA-N 1 0 278.440 2.944 20 70 CFIDRO Cc1ncc([C@@H](C)[NH2+]CCc2ccc3c(c2)OCO3)c(C)n1 ZINC000161124121 322347508 /nfs/dbraw/zinc/34/75/08/322347508.db2.gz RBPMUWCHBJBLBR-LLVKDONJSA-N 1 0 299.374 2.715 20 70 CFIDRO CCn1cc([C@@H](C)[NH2+]CCc2ccc3c(c2)OCO3)cn1 ZINC000161110478 322347672 /nfs/dbraw/zinc/34/76/72/322347672.db2.gz UJZYTEWQTULTEH-GFCCVEGCSA-N 1 0 287.363 2.525 20 70 CFIDRO C[C@H]([NH2+]CCc1ccc2c(c1)OCO2)c1ccco1 ZINC000161144942 322348299 /nfs/dbraw/zinc/34/82/99/322348299.db2.gz JSKCJOVJVOOLFO-NSHDSACASA-N 1 0 259.305 2.902 20 70 CFIDRO CCCC[NH+]1CCC(NC(=O)N2CC[C@@H](C)[C@@H](C)C2)CC1 ZINC000161426258 322351568 /nfs/dbraw/zinc/35/15/68/322351568.db2.gz DHXCUSMCTRFCEE-CABCVRRESA-N 1 0 295.471 2.938 20 70 CFIDRO CCc1cccc(CC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000161499115 322352605 /nfs/dbraw/zinc/35/26/05/322352605.db2.gz QDRIIGKQRVAXJS-SJORKVTESA-N 1 0 288.435 2.781 20 70 CFIDRO CCc1cccc(CC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000161499334 322353039 /nfs/dbraw/zinc/35/30/39/322353039.db2.gz QDRIIGKQRVAXJS-IAGOWNOFSA-N 1 0 288.435 2.781 20 70 CFIDRO CCN(CC)c1ncc(C[NH2+]CC2(CO)CCCC2)s1 ZINC000160082502 520933313 /nfs/dbraw/zinc/93/33/13/520933313.db2.gz UVRNPUYVMKSMMS-UHFFFAOYSA-N 1 0 297.468 2.632 20 70 CFIDRO CC(C)CO[C@@H]1C[C@H]([NH2+]CC2(CO)CCCC2)C1(C)C ZINC000160106443 519760711 /nfs/dbraw/zinc/76/07/11/519760711.db2.gz CMVOORDXYHSJQC-LSDHHAIUSA-N 1 0 283.456 2.968 20 70 CFIDRO CC(C)[C@@H](C)[NH2+]Cc1ccc(CN2CCOCC2)cc1 ZINC000160584685 519792385 /nfs/dbraw/zinc/79/23/85/519792385.db2.gz VYSFWQZAAACGAM-OAHLLOKOSA-N 1 0 276.424 2.653 20 70 CFIDRO CC(C)[C@H]1C[N@H+](C)CCN1c1nc(C(C)(C)C)ns1 ZINC000159579562 519826800 /nfs/dbraw/zinc/82/68/00/519826800.db2.gz WSISXZWSYCQCRD-LLVKDONJSA-N 1 0 282.457 2.612 20 70 CFIDRO CCOCC[N@H+](CC)Cc1c(C)nc2ccccn21 ZINC000160240910 519909437 /nfs/dbraw/zinc/90/94/37/519909437.db2.gz OZFFTGFVGMZGEC-UHFFFAOYSA-N 1 0 261.369 2.501 20 70 CFIDRO CCCOc1cccc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)c1 ZINC000159635344 520452026 /nfs/dbraw/zinc/45/20/26/520452026.db2.gz BUGQXURKROJGLZ-ZFWWWQNUSA-N 1 0 290.407 2.561 20 70 CFIDRO CCO[C@H]1C[C@@H]([NH2+]CC2(CO)CCCC2)C12CCCC2 ZINC000160087602 520548589 /nfs/dbraw/zinc/54/85/89/520548589.db2.gz RZGHHZOPMYZTFU-CABCVRRESA-N 1 0 281.440 2.867 20 70 CFIDRO CC[NH+](CC)C[C@@H](C)Nc1nnc(C(F)(F)F)s1 ZINC000160165272 520721625 /nfs/dbraw/zinc/72/16/25/520721625.db2.gz UDRUGSOEKUSINK-SSDOTTSWSA-N 1 0 282.335 2.699 20 70 CFIDRO [NH3+]C1(CNC(=O)CCCOc2ccccc2)CCCCC1 ZINC000159459042 534535593 /nfs/dbraw/zinc/53/55/93/534535593.db2.gz QBPAINBPEFHXJF-UHFFFAOYSA-N 1 0 290.407 2.623 20 70 CFIDRO CCOCCC1(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)CCC1 ZINC000159614356 521688793 /nfs/dbraw/zinc/68/87/93/521688793.db2.gz GSNLAWXOGWPXQA-HNNXBMFYSA-N 1 0 296.455 2.574 20 70 CFIDRO C[NH2+]CCCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000160236037 521996150 /nfs/dbraw/zinc/99/61/50/521996150.db2.gz HCSHYFHZSHUFJW-RBSFLKMASA-N 1 0 266.429 2.661 20 70 CFIDRO CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1cccc(C(C)=O)c1 ZINC000217401471 522057905 /nfs/dbraw/zinc/05/79/05/522057905.db2.gz YXEATTWGVWMXNQ-GFCCVEGCSA-N 1 0 291.395 2.741 20 70 CFIDRO C[NH2+][C@H]1CCN(C(=O)c2cc(C(C)C)nc3ccccc32)C1 ZINC000160783635 522502935 /nfs/dbraw/zinc/50/29/35/522502935.db2.gz SLIAJWPFILQZRP-ZDUSSCGKSA-N 1 0 297.402 2.792 20 70 CFIDRO CC[C@H]([NH2+]CCCN1CCCC1=O)c1cccc(OC)c1 ZINC000159487504 522585141 /nfs/dbraw/zinc/58/51/41/522585141.db2.gz FSAYFZZBXCBBQE-INIZCTEOSA-N 1 0 290.407 2.748 20 70 CFIDRO CC[C@H]([NH2+]C[C@@H](C)N(C)Cc1ccccc1)[C@@H]1CCOC1 ZINC000160882674 522607490 /nfs/dbraw/zinc/60/74/90/522607490.db2.gz ATERHQCISOMBFN-NXHRZFHOSA-N 1 0 290.451 2.912 20 70 CFIDRO CC[C@@H](NC(=O)C[C@@H]1CCC[NH2+]1)c1ccc(F)cc1F ZINC000159731092 522693682 /nfs/dbraw/zinc/69/36/82/522693682.db2.gz WASTTWYBFCEUFP-SMDDNHRTSA-N 1 0 282.334 2.674 20 70 CFIDRO COC[C@H]([NH2+]CCN(C)Cc1ccc(F)cc1)C(C)C ZINC000160135298 522735470 /nfs/dbraw/zinc/73/54/70/522735470.db2.gz LKXPCLFNMYWZHX-INIZCTEOSA-N 1 0 282.403 2.518 20 70 CFIDRO COC[C@H]([NH2+]C[C@@H](C)N1CCc2ccccc2C1)C(C)C ZINC000159826905 522740399 /nfs/dbraw/zinc/74/03/99/522740399.db2.gz HNEVJNZEQUGBEJ-QAPCUYQASA-N 1 0 290.451 2.694 20 70 CFIDRO CC[C@@H]([NH2+]C[C@](C)(O)CCC(C)C)[C@@H]1CCOC1 ZINC000159412226 522867725 /nfs/dbraw/zinc/86/77/25/522867725.db2.gz XKXAZZXSJRZHRH-RBSFLKMASA-N 1 0 257.418 2.578 20 70 CFIDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1nc(C(C)(C)C)ns1 ZINC000159508373 523044045 /nfs/dbraw/zinc/04/40/45/523044045.db2.gz NAEJDMPQUQRPLH-LLVKDONJSA-N 1 0 282.457 2.614 20 70 CFIDRO CCc1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)sc1C ZINC000160102069 523761813 /nfs/dbraw/zinc/76/18/13/523761813.db2.gz PUUJWQOEESPKCA-BETUJISGSA-N 1 0 278.421 2.585 20 70 CFIDRO CN(C(=O)Cc1cccc2ccccc21)[C@@H](C[NH3+])C1CC1 ZINC000159797865 523851590 /nfs/dbraw/zinc/85/15/90/523851590.db2.gz YMGBEKVOXZEMFZ-KRWDZBQOSA-N 1 0 282.387 2.578 20 70 CFIDRO CN(C(=O)c1cc2ccccc2s1)[C@@H](C[NH3+])C1CC1 ZINC000159848909 523926336 /nfs/dbraw/zinc/92/63/36/523926336.db2.gz DYCZVOFAITVZNX-LBPRGKRZSA-N 1 0 274.389 2.711 20 70 CFIDRO Cc1ccc2oc(C(=O)N(C)[C@H](C[NH3+])C3CC3)cc2c1 ZINC000159840506 524088499 /nfs/dbraw/zinc/08/84/99/524088499.db2.gz FLGODIQCHJDIKN-CYBMUJFWSA-N 1 0 272.348 2.551 20 70 CFIDRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cccc(Cl)c1F ZINC000159675417 524341530 /nfs/dbraw/zinc/34/15/30/524341530.db2.gz NDXKTWWISKPUCK-GXSJLCMTSA-N 1 0 284.762 2.565 20 70 CFIDRO CSCCCCC(=O)NCC[NH2+]C1CCCCCC1 ZINC000159641979 525402030 /nfs/dbraw/zinc/40/20/30/525402030.db2.gz YHVNCFVDEBFQEP-UHFFFAOYSA-N 1 0 286.485 2.948 20 70 CFIDRO C[C@H](NC[C@H](C1CCCCC1)[NH+](C)C)c1cnn(C)c1 ZINC000160403578 525403897 /nfs/dbraw/zinc/40/38/97/525403897.db2.gz RFVJDYOXCIGTAY-XJKSGUPXSA-N 1 0 278.444 2.581 20 70 CFIDRO Cc1cc([C@H](C)[NH2+]CC(=O)NC(C)C)cc(C)c1F ZINC000161002209 525515063 /nfs/dbraw/zinc/51/50/63/525515063.db2.gz JILLFFXRIWBQFU-LBPRGKRZSA-N 1 0 266.360 2.618 20 70 CFIDRO Cc1ccc(C(=O)CCN2C[C@H](C)[NH+](C)[C@@H](C)C2)cc1 ZINC000160216685 526043899 /nfs/dbraw/zinc/04/38/99/526043899.db2.gz JFWKVZKUPNJWLK-GJZGRUSLSA-N 1 0 274.408 2.592 20 70 CFIDRO O=C(C[C@H]1CCC[NH2+]1)Nc1cc(C2CCCCCC2)[nH]n1 ZINC000159480199 527166120 /nfs/dbraw/zinc/16/61/20/527166120.db2.gz YMHHZOIKGOPHLN-CYBMUJFWSA-N 1 0 290.411 2.928 20 70 CFIDRO O=C(/C=C/c1c(Cl)cccc1Cl)N1CCC[NH2+]CC1 ZINC000160845858 527600252 /nfs/dbraw/zinc/60/02/52/527600252.db2.gz IDRSCOIJAOITLZ-AATRIKPKSA-N 1 0 299.201 2.829 20 70 CFIDRO OC[C@H]1CCCC[N@@H+]1CCc1ccccc1Cl ZINC000159992479 527614680 /nfs/dbraw/zinc/61/46/80/527614680.db2.gz WPBIPYCIFNZBAW-CYBMUJFWSA-N 1 0 253.773 2.729 20 70 CFIDRO CCCC1(CNC(=O)N(CC[NH+](C)C)C(C)C)CCC1 ZINC000159626013 528046587 /nfs/dbraw/zinc/04/65/87/528046587.db2.gz YUWUZMGAZOAFIZ-UHFFFAOYSA-N 1 0 283.460 2.938 20 70 CFIDRO CCC[C@@H](C(=O)N[C@H]1CCc2ccccc21)[NH+](C)C ZINC000161346316 528847626 /nfs/dbraw/zinc/84/76/26/528847626.db2.gz SOAOSLCAZKTZQQ-GJZGRUSLSA-N 1 0 260.381 2.520 20 70 CFIDRO CCC([NH3+])(CC)CNC(=O)C[C@@H](C)c1ccc(F)cc1 ZINC000160417782 528925553 /nfs/dbraw/zinc/92/55/53/528925553.db2.gz PBUDIIOAYSVHNI-GFCCVEGCSA-N 1 0 280.387 2.953 20 70 CFIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(C)cc1)CC2 ZINC000160548171 282118773 /nfs/dbraw/zinc/11/87/73/282118773.db2.gz WIWBNOMEQAFQGQ-DOMZBBRYSA-N 1 0 270.380 2.561 20 70 CFIDRO CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCC[C@H](CC(C)C)C1 ZINC000161475085 529417267 /nfs/dbraw/zinc/41/72/67/529417267.db2.gz MTDGSVGVFGHMTQ-MCIONIFRSA-N 1 0 254.418 2.645 20 70 CFIDRO C[NH2+]C[C@H]1CCCN1C(=O)C[C@@H](C)Cc1cccc(F)c1 ZINC000161357244 530002277 /nfs/dbraw/zinc/00/22/77/530002277.db2.gz RZDWMMNSNAGIDA-XJKSGUPXSA-N 1 0 292.398 2.605 20 70 CFIDRO c1ccc(N[C@H]2CC[N@@H+](CCOCC3CC3)C2)cc1 ZINC000160277810 232247582 /nfs/dbraw/zinc/24/75/82/232247582.db2.gz RGAWVLYJKBGUBQ-INIZCTEOSA-N 1 0 260.381 2.599 20 70 CFIDRO CCSCC[NH+]1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000159963665 348015042 /nfs/dbraw/zinc/01/50/42/348015042.db2.gz ATVZIOKNVZZCJG-ZDUSSCGKSA-N 1 0 286.485 2.612 20 70 CFIDRO CCSCC[NH+]1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000159963804 348015107 /nfs/dbraw/zinc/01/51/07/348015107.db2.gz ATVZIOKNVZZCJG-CYBMUJFWSA-N 1 0 286.485 2.612 20 70 CFIDRO CCSCC[C@@H](C)[NH2+]C[C@@H](O)COc1ccc(C)cc1 ZINC000160164949 348016134 /nfs/dbraw/zinc/01/61/34/348016134.db2.gz YOVWHTWJFUZZAL-HUUCEWRRSA-N 1 0 297.464 2.856 20 70 CFIDRO CC(C)[C@H]1CCCCN1C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160625537 348019096 /nfs/dbraw/zinc/01/90/96/348019096.db2.gz WQARAVSITYZTDG-JKSUJKDBSA-N 1 0 293.455 2.691 20 70 CFIDRO C[C@H]1CN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c2ccccc21 ZINC000160760100 348020792 /nfs/dbraw/zinc/02/07/92/348020792.db2.gz CFKWJASMCWHDKU-DZGCQCFKSA-N 1 0 299.418 2.804 20 70 CFIDRO CCO[C@H]1C[C@@H]([NH2+]Cc2nn(C)c3ccccc23)C1(C)C ZINC000217879760 348165803 /nfs/dbraw/zinc/16/58/03/348165803.db2.gz CKQVJJGGWWUJBC-CVEARBPZSA-N 1 0 287.407 2.867 20 70 CFIDRO CN1CCC([NH2+]CC2C3CC4CC(C3)CC2C4)CC1 ZINC000216688714 539618453 /nfs/dbraw/zinc/61/84/53/539618453.db2.gz NNGZJKJMPWVRMT-UHFFFAOYSA-N 1 0 262.441 2.743 20 70 CFIDRO C[C@@H]([NH2+]CC1C2CC3CC(C2)CC1C3)c1nncn1C ZINC000216824629 539623813 /nfs/dbraw/zinc/62/38/13/539623813.db2.gz ZMSJQRNMZDZVHZ-IBEXFIOLSA-N 1 0 274.412 2.538 20 70 CFIDRO [NH3+]C1(CNC(=O)[C@H]2CSc3ccccc32)CCCCC1 ZINC000159682828 188437195 /nfs/dbraw/zinc/43/71/95/188437195.db2.gz NGMTWWJWQVFIFC-ZDUSSCGKSA-N 1 0 290.432 2.654 20 70 CFIDRO Cc1ccc(NC(=O)[C@@H]2CCC[NH2+]C2)cc1OC(F)F ZINC000160092058 188454799 /nfs/dbraw/zinc/45/47/99/188454799.db2.gz RCRUGJNZBYGNMT-SNVBAGLBSA-N 1 0 284.306 2.535 20 70 CFIDRO Cc1ccc(NC(=O)[C@H]2CCC[NH2+]C2)cc1OC(F)F ZINC000160092201 188455106 /nfs/dbraw/zinc/45/51/06/188455106.db2.gz RCRUGJNZBYGNMT-JTQLQIEISA-N 1 0 284.306 2.535 20 70 CFIDRO COc1cccc(CCC[N@H+](C)C[C@H]2CCCO2)c1 ZINC000160272287 188463279 /nfs/dbraw/zinc/46/32/79/188463279.db2.gz YANGLESFMQSWGU-MRXNPFEDSA-N 1 0 263.381 2.739 20 70 CFIDRO [NH3+][C@@H]1CCC[C@H](C(=O)NCCc2cc3ccccc3o2)C1 ZINC000160487208 188476776 /nfs/dbraw/zinc/47/67/76/188476776.db2.gz PLWPKODGETWBRV-UONOGXRCSA-N 1 0 286.375 2.609 20 70 CFIDRO COC[C@H](Cc1ccccc1)[NH2+]C[C@H]1CCO[C@@H]1C(C)C ZINC000160843522 188494301 /nfs/dbraw/zinc/49/43/01/188494301.db2.gz UCUWWIHKAWIPAW-FGTMMUONSA-N 1 0 291.435 2.895 20 70 CFIDRO C[C@H](C(=O)NCC(C)(C)C[NH+](C)C)c1c(F)cccc1F ZINC000161142052 188511325 /nfs/dbraw/zinc/51/13/25/188511325.db2.gz IATAHVUISOGKFH-NSHDSACASA-N 1 0 298.377 2.772 20 70 CFIDRO CC[C@H](Cc1ccccc1)N(C)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000161105790 188508729 /nfs/dbraw/zinc/50/87/29/188508729.db2.gz MSCGNGAHDTUDGS-HRCADAONSA-N 1 0 274.408 2.594 20 70 CFIDRO CN(Cc1cc2ccccc2o1)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000161414028 188526425 /nfs/dbraw/zinc/52/64/25/188526425.db2.gz QIMODDQJTWDESI-STQMWFEESA-N 1 0 272.348 2.519 20 70 CFIDRO Cc1ccc([C@@H](C)CNC(=O)[C@H]([NH3+])CC(C)C)cc1 ZINC000159655295 540660497 /nfs/dbraw/zinc/66/04/97/540660497.db2.gz RYIRGXQOUSHHCB-DZGCQCFKSA-N 1 0 262.397 2.588 20 70 CFIDRO CCCn1nccc1C[NH2+]C[C@H](c1ccccc1)N(C)C ZINC000159972953 540666284 /nfs/dbraw/zinc/66/62/84/540666284.db2.gz ZGJGHFNJLYWCGI-QGZVFWFLSA-N 1 0 286.423 2.686 20 70 CFIDRO CCCn1nccc1CNc1ccc(C[NH+](C)C)cc1 ZINC000160082714 540668099 /nfs/dbraw/zinc/66/80/99/540668099.db2.gz WYIJIYVIIDFTHM-UHFFFAOYSA-N 1 0 272.396 2.967 20 70 CFIDRO CC[C@H](OC1CCCCC1)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000160792127 540679942 /nfs/dbraw/zinc/67/99/42/540679942.db2.gz SWYNLQUPQKAPAQ-YDHLFZDLSA-N 1 0 282.428 2.500 20 70 CFIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2ccccc2OC2CCC2)C1 ZINC000161012751 540686137 /nfs/dbraw/zinc/68/61/37/540686137.db2.gz GBKYYHARQYGWKC-CHWSQXEVSA-N 1 0 288.391 2.618 20 70 CFIDRO CC(C)c1cccc(OCC(=O)N[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000161115007 540688997 /nfs/dbraw/zinc/68/89/97/540688997.db2.gz QQJSWRFKMHRNLE-GJZGRUSLSA-N 1 0 290.407 2.575 20 70 CFIDRO C[NH2+][C@H]1CCCN(C(=O)c2cc3ccc(F)cc3s2)C1 ZINC000161200114 540690675 /nfs/dbraw/zinc/69/06/75/540690675.db2.gz BJXVOYYNVOQQBZ-LBPRGKRZSA-N 1 0 292.379 2.864 20 70 CFIDRO Cc1cccc(OCCCC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000161175006 540689834 /nfs/dbraw/zinc/68/98/34/540689834.db2.gz SSJLMYJSRKAMFP-LSDHHAIUSA-N 1 0 290.407 2.540 20 70 CFIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CCc2ccccc2Cl)C1 ZINC000161391270 540692778 /nfs/dbraw/zinc/69/27/78/540692778.db2.gz OICCDDNFPWZOLS-CHWSQXEVSA-N 1 0 280.799 2.659 20 70 CFIDRO Cc1onc(-c2ccccc2)c1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161385761 540692785 /nfs/dbraw/zinc/69/27/85/540692785.db2.gz GQTSWSGHOQJIQX-KBPBESRZSA-N 1 0 299.374 2.650 20 70 CFIDRO CC(C)CC1(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CCC1 ZINC000161248911 540691304 /nfs/dbraw/zinc/69/13/04/540691304.db2.gz RQADTXRZNWEWAZ-CHWSQXEVSA-N 1 0 252.402 2.589 20 70 CFIDRO CC(C)CC1(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CCC1 ZINC000161248810 540691474 /nfs/dbraw/zinc/69/14/74/540691474.db2.gz RQADTXRZNWEWAZ-STQMWFEESA-N 1 0 252.402 2.589 20 70 CFIDRO C[C@@H]([NH3+])C1CCN(C(=O)C2C3CC4CC(C3)CC2C4)CC1 ZINC000160198194 296015591 /nfs/dbraw/zinc/01/55/91/296015591.db2.gz NIYYJHUVNXHEMT-STHQEUCWSA-N 1 0 290.451 2.645 20 70 CFIDRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1coc2ccccc12 ZINC000159550896 540999203 /nfs/dbraw/zinc/99/92/03/540999203.db2.gz LUSBFYHXWBUHTD-VXGBXAGGSA-N 1 0 272.348 2.519 20 70 CFIDRO C[N@H+](CCOC1CCCCCC1)C[C@@H]1CCC[C@@H]1O ZINC000159645305 541005262 /nfs/dbraw/zinc/00/52/62/541005262.db2.gz CNNICMNNKHDHOL-HOCLYGCPSA-N 1 0 269.429 2.819 20 70 CFIDRO COc1ccc(C[N@H+](C)Cc2ccc(N(C)C)nc2)cc1 ZINC000159871511 541015071 /nfs/dbraw/zinc/01/50/71/541015071.db2.gz LUNOUTQGHHLZMQ-UHFFFAOYSA-N 1 0 285.391 2.788 20 70 CFIDRO Cc1ccc(C(=O)CC[N@@H+](C)[C@@H]2CCN(C)[C@H](C)C2)cc1 ZINC000159999346 378742125 /nfs/dbraw/zinc/74/21/25/378742125.db2.gz ITZGWMHKYSTIIW-NVXWUHKLSA-N 1 0 288.435 2.982 20 70 CFIDRO [NH3+]CCCNC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000160016349 378743776 /nfs/dbraw/zinc/74/37/76/378743776.db2.gz ZIKLCCZRQCBYAQ-QWRGUYRKSA-N 1 0 287.190 2.562 20 70 CFIDRO [NH3+]CCCNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000160016618 378743784 /nfs/dbraw/zinc/74/37/84/378743784.db2.gz ZIKLCCZRQCBYAQ-WDEREUQCSA-N 1 0 287.190 2.562 20 70 CFIDRO CCn1cc([C@@H](C)[NH2+]C[C@](C)(O)c2ccsc2)cn1 ZINC000160024675 378744095 /nfs/dbraw/zinc/74/40/95/378744095.db2.gz ZYDONWLHXUXNNI-RISCZKNCSA-N 1 0 279.409 2.523 20 70 CFIDRO CCn1cc([C@H](C)[NH2+]C[C@](C)(O)c2ccsc2)cn1 ZINC000160024780 378744126 /nfs/dbraw/zinc/74/41/26/378744126.db2.gz ZYDONWLHXUXNNI-FZMZJTMJSA-N 1 0 279.409 2.523 20 70 CFIDRO Cc1ccccc1C1(C(=O)NCCC[NH3+])CCCCC1 ZINC000160042133 378745269 /nfs/dbraw/zinc/74/52/69/378745269.db2.gz VTKUGBKXCASKPT-UHFFFAOYSA-N 1 0 274.408 2.662 20 70 CFIDRO [NH3+]CCCNC(=O)c1ccc(C2SCCCS2)cc1 ZINC000160043261 378745546 /nfs/dbraw/zinc/74/55/46/378745546.db2.gz YSTQNAIVTDNQHC-UHFFFAOYSA-N 1 0 296.461 2.634 20 70 CFIDRO COc1cc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1F ZINC000160150752 378752424 /nfs/dbraw/zinc/75/24/24/378752424.db2.gz XUMBGPHWWSICNJ-QWHCGFSZSA-N 1 0 264.344 2.873 20 70 CFIDRO C[C@]1([NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)CCOC1 ZINC000160181845 378754506 /nfs/dbraw/zinc/75/45/06/378754506.db2.gz KCBYTBVQUNEKDC-HNNXBMFYSA-N 1 0 297.782 2.770 20 70 CFIDRO CC[N@H+](CCc1nccs1)Cc1cc(OC)ccn1 ZINC000159378283 378705201 /nfs/dbraw/zinc/70/52/01/378705201.db2.gz RETMRYADCKOYFN-UHFFFAOYSA-N 1 0 277.393 2.611 20 70 CFIDRO C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)C[NH2+]CC2CC2)C1 ZINC000159434587 378708645 /nfs/dbraw/zinc/70/86/45/378708645.db2.gz IQLNWAGOJOJWKY-LRDDRELGSA-N 1 0 290.382 2.735 20 70 CFIDRO Cc1cc(C)cc([C@H](C)[NH2+]CCCN2CCCC2=O)c1 ZINC000159464769 378710286 /nfs/dbraw/zinc/71/02/86/378710286.db2.gz JCVFKVFXJFHTNC-HNNXBMFYSA-N 1 0 274.408 2.967 20 70 CFIDRO Cc1ccccc1[C@@H](C)[NH2+]CCCN1CCCC1=O ZINC000159544901 378714945 /nfs/dbraw/zinc/71/49/45/378714945.db2.gz SSCIJMKVUZOHSN-CQSZACIVSA-N 1 0 260.381 2.658 20 70 CFIDRO Cc1ncc([C@H](C)[NH2+][C@@H]2CCCSC2)c(C)n1 ZINC000159562445 378716844 /nfs/dbraw/zinc/71/68/44/378716844.db2.gz RCDLUEWKRDQYKV-CMPLNLGQSA-N 1 0 251.399 2.640 20 70 CFIDRO CCc1ccc(CNC(=O)N2CCC[N@@H+](CC)CC2)s1 ZINC000159662850 378723388 /nfs/dbraw/zinc/72/33/88/378723388.db2.gz NXGNXKBGMCKWCM-UHFFFAOYSA-N 1 0 295.452 2.548 20 70 CFIDRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(Cl)c(F)c1 ZINC000159693131 378724912 /nfs/dbraw/zinc/72/49/12/378724912.db2.gz SLFYVPADPRUXJO-KOLCDFICSA-N 1 0 284.762 2.565 20 70 CFIDRO COC[C@H]([NH2+]CCCc1cccc(F)c1)C1CC1 ZINC000159820665 378732088 /nfs/dbraw/zinc/73/20/88/378732088.db2.gz RDVRBXGTAGEUCX-HNNXBMFYSA-N 1 0 251.345 2.773 20 70 CFIDRO Cc1ccc(C)c([C@@H]2C[N@H+](CCn3ccnc3)[C@H](C)CO2)c1 ZINC000159850528 378733822 /nfs/dbraw/zinc/73/38/22/378733822.db2.gz OOLNZEMXBQPWHF-AEFFLSMTSA-N 1 0 299.418 2.962 20 70 CFIDRO C[C@@H](CNC(=O)N1CCC2(CCC2)C1)[N@@H+]1CCC[C@H](C)C1 ZINC000160269075 378761197 /nfs/dbraw/zinc/76/11/97/378761197.db2.gz XDAJIIAQWNZBCC-GJZGRUSLSA-N 1 0 293.455 2.692 20 70 CFIDRO Cc1cc([C@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)c(C)s1 ZINC000160333085 378763555 /nfs/dbraw/zinc/76/35/55/378763555.db2.gz FVRANQVEUGJKTC-GWCFXTLKSA-N 1 0 290.436 2.930 20 70 CFIDRO O=C(N1CCC([NH+]2CCCCC2)CC1)N1CCCCCC1 ZINC000160381950 378768484 /nfs/dbraw/zinc/76/84/84/378768484.db2.gz CRYZBHBWFDHVOR-UHFFFAOYSA-N 1 0 293.455 2.933 20 70 CFIDRO Cc1cccc(C)c1C[NH2+]CCCOC[C@H]1CCCO1 ZINC000160412876 378770672 /nfs/dbraw/zinc/77/06/72/378770672.db2.gz SWKPTSYVJFYUKM-MRXNPFEDSA-N 1 0 277.408 2.979 20 70 CFIDRO CC[C@H]([NH2+]Cc1ccccc1CN1CCOCC1)C1CC1 ZINC000160498697 378777265 /nfs/dbraw/zinc/77/72/65/378777265.db2.gz VRFLOKUSQORCIK-SFHVURJKSA-N 1 0 288.435 2.797 20 70 CFIDRO C[NH2+]C[C@@H](C)C(=O)NCC1(c2cccs2)CCCCC1 ZINC000160496754 378777829 /nfs/dbraw/zinc/77/78/29/378777829.db2.gz QXVBJAOUXGCEQY-CYBMUJFWSA-N 1 0 294.464 2.922 20 70 CFIDRO C[C@@H](O)C(C)(C)[NH2+]Cc1csc(Br)c1 ZINC000160620539 378785829 /nfs/dbraw/zinc/78/58/29/378785829.db2.gz TYKUKHVIIPDCDP-SSDOTTSWSA-N 1 0 278.215 2.760 20 70 CFIDRO CC1(C)C[C@@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)CCO1 ZINC000160645092 378787539 /nfs/dbraw/zinc/78/75/39/378787539.db2.gz GGLGCAWQOITSKW-KRWDZBQOSA-N 1 0 299.418 2.979 20 70 CFIDRO CCc1ccc(/C=C/C(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)o1 ZINC000160639825 378788086 /nfs/dbraw/zinc/78/80/86/378788086.db2.gz IXUSQOVTQXEAHC-NYCDYWJRSA-N 1 0 288.391 2.550 20 70 CFIDRO C[C@@H](CC1CCCCC1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160639179 378788457 /nfs/dbraw/zinc/78/84/57/378788457.db2.gz JAUASNXLFBTCNK-CWRNSKLLSA-N 1 0 278.440 2.946 20 70 CFIDRO CCc1ccc(/C=C/C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)o1 ZINC000160639701 378788516 /nfs/dbraw/zinc/78/85/16/378788516.db2.gz IXUSQOVTQXEAHC-VRZZLATASA-N 1 0 288.391 2.550 20 70 CFIDRO [NH3+][C@@H]1CC[C@@H](C(=O)Nc2ccc(F)cc2OCC2CC2)C1 ZINC000160677807 378791794 /nfs/dbraw/zinc/79/17/94/378791794.db2.gz XLJVKWKHANBTSF-DGCLKSJQSA-N 1 0 292.354 2.680 20 70 CFIDRO C[NH2+]C[C@H](C)C(=O)N1CCC[C@H]1c1cccc(C)c1C ZINC000160721996 378793854 /nfs/dbraw/zinc/79/38/54/378793854.db2.gz SXFYJTIDWSUZOH-BBRMVZONSA-N 1 0 274.408 2.822 20 70 CFIDRO CCS[C@H]1CCCCN(C(=O)C(CC)(CC)C[NH3+])C1 ZINC000161223979 378830602 /nfs/dbraw/zinc/83/06/02/378830602.db2.gz HYBFBEAUDLOCHL-ZDUSSCGKSA-N 1 0 286.485 2.886 20 70 CFIDRO CC[C@@H](NC(=O)[C@@H]([NH3+])C(C)C)c1ccc(F)cc1F ZINC000161210203 378831594 /nfs/dbraw/zinc/83/15/94/378831594.db2.gz BGFKKJSQVLRMIO-OLZOCXBDSA-N 1 0 270.323 2.515 20 70 CFIDRO CCC[N@H+](CCO)Cc1ccc(CSC(F)F)o1 ZINC000161227423 378832233 /nfs/dbraw/zinc/83/22/33/378832233.db2.gz WUNQFVXDULNVAD-UHFFFAOYSA-N 1 0 279.352 2.940 20 70 CFIDRO C[C@@H]1CN(C(=O)C[C@@H]2CCC[NH2+]2)CC[C@@H]1c1ccccc1 ZINC000161238431 378832859 /nfs/dbraw/zinc/83/28/59/378832859.db2.gz MIDBQFGZZSUJHY-PVAVHDDUSA-N 1 0 286.419 2.781 20 70 CFIDRO CCC(CC)(C[NH3+])C(=O)NC[C@@H](C)c1cccc(C)c1 ZINC000161242511 378833097 /nfs/dbraw/zinc/83/30/97/378833097.db2.gz OHVHTWCBHLOLED-CQSZACIVSA-N 1 0 276.424 2.980 20 70 CFIDRO Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)[C@H](C)[NH3+])cc1 ZINC000161234193 378833101 /nfs/dbraw/zinc/83/31/01/378833101.db2.gz AURGJYPCEQUJAM-KCQAQPDRSA-N 1 0 260.381 2.642 20 70 CFIDRO CCc1ccc(C(C)(C)CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000160867725 378805103 /nfs/dbraw/zinc/80/51/03/378805103.db2.gz GZOPLOCZLXXZPH-GDBMZVCRSA-N 1 0 288.435 2.770 20 70 CFIDRO CCc1ccc(C(C)(C)CNC(=O)C[C@H]2CCC[NH2+]2)cc1 ZINC000160870168 378806375 /nfs/dbraw/zinc/80/63/75/378806375.db2.gz YOAARJGNEAPLIF-MRXNPFEDSA-N 1 0 288.435 2.785 20 70 CFIDRO CC[C@@](C)(O)C[N@H+](C)Cc1ccc(OC)c(C)c1 ZINC000160893815 378808265 /nfs/dbraw/zinc/80/82/65/378808265.db2.gz CDMDQTMIRNRKIE-OAHLLOKOSA-N 1 0 251.370 2.596 20 70 CFIDRO CC(C)[C@H]1OCC[C@@H]1C[NH2+][C@@H](C)CC1CCOCC1 ZINC000160909705 378808281 /nfs/dbraw/zinc/80/82/81/378808281.db2.gz LYOGRXREQRWXPR-NUEKZKHPSA-N 1 0 269.429 2.842 20 70 CFIDRO CCC[C@]1(C)CCCN(C(=O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000160932294 378810115 /nfs/dbraw/zinc/81/01/15/378810115.db2.gz KJINLIFFTIIGIT-FUHWJXTLSA-N 1 0 288.435 2.985 20 70 CFIDRO CSc1ccc([C@@H](C)[NH2+]CC(=O)NC(C)C)cc1F ZINC000160936164 378811434 /nfs/dbraw/zinc/81/14/34/378811434.db2.gz UNZKKHCZOGMCEV-SNVBAGLBSA-N 1 0 284.400 2.723 20 70 CFIDRO O=C(N[C@H]1CCC[C@H]1Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000161055223 378817971 /nfs/dbraw/zinc/81/79/71/378817971.db2.gz LRDURIHEFAGJLE-BBWFWOEESA-N 1 0 286.419 2.514 20 70 CFIDRO CNC(=O)C(C)(C)CNc1cc[nH+]c2cc(F)ccc12 ZINC000161063820 378818571 /nfs/dbraw/zinc/81/85/71/378818571.db2.gz MFHMPKIUTPAYER-UHFFFAOYSA-N 1 0 275.327 2.558 20 70 CFIDRO COc1ccc(COCCC[NH2+][C@H](C)[C@@H]2CCOC2)cc1 ZINC000161068814 378819714 /nfs/dbraw/zinc/81/97/14/378819714.db2.gz JFMRVVNNKHUJKG-GDBMZVCRSA-N 1 0 293.407 2.617 20 70 CFIDRO CC[NH2+]CC1CCN(C(=O)C[C@@H]2CC[C@H](C)C2)CC1 ZINC000161095511 378821093 /nfs/dbraw/zinc/82/10/93/378821093.db2.gz RILQLLWBFDEBCY-DZGCQCFKSA-N 1 0 266.429 2.661 20 70 CFIDRO CCC(CC)c1cc(CNC(=O)[C@@H]([NH3+])CC(C)C)on1 ZINC000161108592 378821201 /nfs/dbraw/zinc/82/12/01/378821201.db2.gz KUTZSASVAVLJAN-ZDUSSCGKSA-N 1 0 281.400 2.568 20 70 CFIDRO COC(C[N@H+](C)[C@H](c1ccccc1)C(C)C)OC ZINC000161087603 378821857 /nfs/dbraw/zinc/82/18/57/378821857.db2.gz QUOKIJQJXMLNEE-HNNXBMFYSA-N 1 0 251.370 2.934 20 70 CFIDRO O=C(C[C@@H]1CCC[NH2+]1)N(CC1CCC1)c1ccccc1 ZINC000161438802 378848358 /nfs/dbraw/zinc/84/83/58/378848358.db2.gz JZHAILVHSXUNFJ-HNNXBMFYSA-N 1 0 272.392 2.962 20 70 CFIDRO CS[C@@H](C)CC(=O)N(CC[NH+](C)C)Cc1ccc(C)o1 ZINC000161500962 378850808 /nfs/dbraw/zinc/85/08/08/378850808.db2.gz DAOWLBOTXGCKCV-ZDUSSCGKSA-N 1 0 298.452 2.620 20 70 CFIDRO COC[C@@H](Cc1ccccc1)[NH2+]C[C@@H](CO)c1ccccc1 ZINC000161497317 378851332 /nfs/dbraw/zinc/85/13/32/378851332.db2.gz QCJPNJWXLOBVHJ-RBUKOAKNSA-N 1 0 299.414 2.610 20 70 CFIDRO CC1(C)CN(CCC[NH+]2CCCCC2)CCS1 ZINC000161483277 378851371 /nfs/dbraw/zinc/85/13/71/378851371.db2.gz QYLRUQDCTHSGIN-UHFFFAOYSA-N 1 0 256.459 2.690 20 70 CFIDRO CCC(CC)(C[NH2+]CCOc1ccccc1)C(=O)OC ZINC000159665719 322326441 /nfs/dbraw/zinc/32/64/41/322326441.db2.gz BDXISXZMVXENHM-UHFFFAOYSA-N 1 0 279.380 2.634 20 70 CFIDRO CSC[C@@](C)(O)C[NH2+]Cc1ccccc1OC(C)C ZINC000217847291 382788007 /nfs/dbraw/zinc/78/80/07/382788007.db2.gz HSIZSDCIUOROHI-HNNXBMFYSA-N 1 0 283.437 2.677 20 70 CFIDRO CC[NH+]1CCC([NH2+]Cc2cccc3cc[nH]c32)CC1 ZINC000218077190 382788880 /nfs/dbraw/zinc/78/88/80/382788880.db2.gz NKXQGKDBVACAHQ-UHFFFAOYSA-N 1 0 257.381 2.742 20 70 CFIDRO COC[C@@H]([NH2+][C@H]1CCCN(C2CCCCC2)C1)C1CC1 ZINC000160121866 285242689 /nfs/dbraw/zinc/24/26/89/285242689.db2.gz NVWHWSQMLMYODF-DOTOQJQBSA-N 1 0 280.456 2.798 20 70 CFIDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]1c1sccc1C ZINC000159907813 285259182 /nfs/dbraw/zinc/25/91/82/285259182.db2.gz IULSHZLAZQHTBV-HZSPNIEDSA-N 1 0 292.448 2.761 20 70 CFIDRO CCOC(=O)[C@H](C)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000217188779 393756611 /nfs/dbraw/zinc/75/66/11/393756611.db2.gz CYWORMZXLJMYGI-JYJNAYRXSA-N 1 0 296.455 2.524 20 70 CFIDRO CC[C@@H]([NH2+]CCN(C)CCOC)C1CCCCC1 ZINC000159422674 394365827 /nfs/dbraw/zinc/36/58/27/394365827.db2.gz IEYFTOVXXRSUSZ-OAHLLOKOSA-N 1 0 256.434 2.513 20 70 CFIDRO CC[C@H](C(=O)N[C@@H]1CCSc2c(F)cccc21)[NH+](C)C ZINC000160097443 394366089 /nfs/dbraw/zinc/36/60/89/394366089.db2.gz ABBFACKOQWJTPW-CHWSQXEVSA-N 1 0 296.411 2.819 20 70 CFIDRO C[C@H]([NH2+][C@@H]1CCCN(C2CCCCC2)C1)[C@@H]1CCOC1 ZINC000160057757 394366172 /nfs/dbraw/zinc/36/61/72/394366172.db2.gz TZJLQQWOMBHRPB-ARFHVFGLSA-N 1 0 280.456 2.798 20 70 CFIDRO C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCc3[nH]c(=O)ccc32)C1 ZINC000160905677 394366826 /nfs/dbraw/zinc/36/68/26/394366826.db2.gz BOPGKKIWGOWWGQ-YRGRVCCFSA-N 1 0 260.381 2.921 20 70 CFIDRO CCO[C@H]1C[C@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)C12CCCCC2 ZINC000161179247 286533559 /nfs/dbraw/zinc/53/35/59/286533559.db2.gz YXSFAJOTXUTJJU-MELADBBJSA-N 1 0 296.455 2.604 20 70 CFIDRO C[C@@H]([NH2+][C@@H](C)CC(=O)N(C)c1ccccc1)C1CC1 ZINC000160141411 287047459 /nfs/dbraw/zinc/04/74/59/287047459.db2.gz IEQGZLCQQHKGOQ-QWHCGFSZSA-N 1 0 260.381 2.816 20 70 CFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)C[C@H](C)Cc1cccc(F)c1 ZINC000161357601 273964199 /nfs/dbraw/zinc/96/41/99/273964199.db2.gz RZDWMMNSNAGIDA-CJNGLKHVSA-N 1 0 292.398 2.605 20 70 CFIDRO CC[C@H](CC(=O)NCC(C)(C)[NH3+])c1ccc(C)cc1 ZINC000159944308 287816566 /nfs/dbraw/zinc/81/65/66/287816566.db2.gz ZNHDWQUNEAIMQL-CYBMUJFWSA-N 1 0 262.397 2.732 20 70 CFIDRO CCC[C@H](C)[C@H](CC)[NH2+][C@@H]1CCc2nc(C)nn2C1 ZINC000160469260 276041560 /nfs/dbraw/zinc/04/15/60/276041560.db2.gz UMEGXYUYRPPMQN-YUTCNCBUSA-N 1 0 264.417 2.706 20 70 CFIDRO CC(C)n1cc([C@@H](C)N[C@H]2CCC[C@H]([NH+](C)C)C2)cn1 ZINC000161123030 276083888 /nfs/dbraw/zinc/08/38/88/276083888.db2.gz KMJQNSCDHJOALR-KBMXLJTQSA-N 1 0 278.444 2.987 20 70 CFIDRO CC(C)C[C@H](C)OCCC(=O)NCC1([NH3+])CCCCC1 ZINC000159728550 279116105 /nfs/dbraw/zinc/11/61/05/279116105.db2.gz FQUWWSVVVZPHIN-AWEZNQCLSA-N 1 0 284.444 2.606 20 70 CFIDRO Cc1cccc2c1CC[C@H]2[NH2+]CCCN1CCCC1=O ZINC000159482169 281272452 /nfs/dbraw/zinc/27/24/52/281272452.db2.gz VIUGTQKSEGYDQQ-MRXNPFEDSA-N 1 0 272.392 2.584 20 70 CFIDRO C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)C2CC[NH2+]CC2)C1 ZINC000161045917 297293271 /nfs/dbraw/zinc/29/32/71/297293271.db2.gz GVALUMOKBICBFY-WBMJQRKESA-N 1 0 290.382 2.735 20 70 CFIDRO C[C@@H]1CCC[C@H](C(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000159370341 322321774 /nfs/dbraw/zinc/32/17/74/322321774.db2.gz YJQQMHMAVRSMOJ-OLZOCXBDSA-N 1 0 264.413 2.556 20 70 CFIDRO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCC3(CCCC3)CC2)C1 ZINC000159457577 322323186 /nfs/dbraw/zinc/32/31/86/322323186.db2.gz SNFBKQLMSCBNPL-HNNXBMFYSA-N 1 0 293.455 2.694 20 70 CFIDRO COCCCC[NH+]1CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC000159498341 322323348 /nfs/dbraw/zinc/32/33/48/322323348.db2.gz WBFYLOHECRJMAR-HNNXBMFYSA-N 1 0 294.414 2.931 20 70 CFIDRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cc2cc(F)ccc2o1 ZINC000159521317 322324201 /nfs/dbraw/zinc/32/42/01/322324201.db2.gz YZCCIGWRBKYGJT-MNOVXSKESA-N 1 0 290.338 2.658 20 70 CFIDRO CC[C@@H](OC1CCCCC1)C(=O)NC1CC[NH+](CC)CC1 ZINC000159588799 322324512 /nfs/dbraw/zinc/32/45/12/322324512.db2.gz LQHVCUHYRQFBOX-MRXNPFEDSA-N 1 0 296.455 2.715 20 70 CFIDRO COc1ccccc1NC(=O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000159672127 322326157 /nfs/dbraw/zinc/32/61/57/322326157.db2.gz YOBALRHJWJIHTN-ZFWWWQNUSA-N 1 0 288.391 2.898 20 70 CFIDRO C[NH+]1CCC(CNC(=O)C2CCC(C)(C)CC2)CC1 ZINC000159725065 322327613 /nfs/dbraw/zinc/32/76/13/322327613.db2.gz LWTFMTVLOZJXPL-UHFFFAOYSA-N 1 0 266.429 2.661 20 70 CFIDRO Cc1ccc(C)c(OCC[N@@H+](C)C[C@@H]2CCC[C@@H]2O)c1 ZINC000159717167 322327623 /nfs/dbraw/zinc/32/76/23/322327623.db2.gz ROHUXMJMKPWTHB-HOTGVXAUSA-N 1 0 277.408 2.775 20 70 CFIDRO Cc1cc(C)c(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)[nH]1 ZINC000159844295 322329242 /nfs/dbraw/zinc/32/92/42/322329242.db2.gz AXHTXJBSHSGPKN-HNNXBMFYSA-N 1 0 285.391 2.664 20 70 CFIDRO CC[C@@H]([NH2+]CCCNC(=O)C(C)C)c1ccccc1 ZINC000159981657 322331596 /nfs/dbraw/zinc/33/15/96/322331596.db2.gz QXVYYGJTFPNNPZ-OAHLLOKOSA-N 1 0 262.397 2.890 20 70 CFIDRO CCn1c(C[NH2+]CC2(CO)CCCC2)nc2ccccc21 ZINC000160065860 322332480 /nfs/dbraw/zinc/33/24/80/322332480.db2.gz REHADNMFXNNBSP-UHFFFAOYSA-N 1 0 287.407 2.699 20 70 CFIDRO CC(C)(C)OC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160120878 322333223 /nfs/dbraw/zinc/33/32/23/322333223.db2.gz NJYCCBAXJLPHOV-ZDUSSCGKSA-N 1 0 268.401 2.872 20 70 CFIDRO C[C@H]([NH2+][C@H]1CCN(C2CCCCC2)C1=O)c1cccnc1 ZINC000160154864 322333685 /nfs/dbraw/zinc/33/36/85/322333685.db2.gz SWDDFDSIMLDVCU-BBRMVZONSA-N 1 0 287.407 2.666 20 70 CFIDRO CC(C)C[C@H](C)NC(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000160246101 322335361 /nfs/dbraw/zinc/33/53/61/322335361.db2.gz RZSDLGJUTDZXFG-LSDHHAIUSA-N 1 0 283.460 2.698 20 70 CFIDRO CC[C@@H](C[NH2+][C@H](COC)C1CC1)Oc1ccccc1F ZINC000160342437 322337067 /nfs/dbraw/zinc/33/70/67/322337067.db2.gz ZCGSHYWUJKXKFZ-DZGCQCFKSA-N 1 0 281.371 2.998 20 70 CFIDRO C[NH+](C)[C@H](CNC(=O)C(C)(C)C1CCCC1)C1CC1 ZINC000160451997 322338675 /nfs/dbraw/zinc/33/86/75/322338675.db2.gz DCPVSGPSHILVKU-CQSZACIVSA-N 1 0 266.429 2.659 20 70 CFIDRO Cc1nc2ccccn2c1CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000160591307 322339945 /nfs/dbraw/zinc/33/99/45/322339945.db2.gz MCLXZJPVYDPCJW-UKRRQHHQSA-N 1 0 286.423 2.557 20 70 CFIDRO CS[C@H](C)CC(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000160778022 322342816 /nfs/dbraw/zinc/34/28/16/322342816.db2.gz UZHWYGPDGNDEKL-GUTXKFCHSA-N 1 0 286.485 2.755 20 70 CFIDRO CC(C)S(=O)(=O)CCC[N@H+](C1CC1)C1CCCC1 ZINC000160780135 322342857 /nfs/dbraw/zinc/34/28/57/322342857.db2.gz WDHOHLPAEXBMDL-UHFFFAOYSA-N 1 0 273.442 2.607 20 70 CFIDRO CCC[C@@H]([NH2+]CC(=O)NC(C)C)C1CCCCC1 ZINC000160965758 322345352 /nfs/dbraw/zinc/34/53/52/322345352.db2.gz VREVKDICCPGNTC-CQSZACIVSA-N 1 0 254.418 2.850 20 70 CFIDRO COC(=O)c1cc(C[N@H+](C)Cc2ccc(F)cc2)c[nH]1 ZINC000161148619 322348174 /nfs/dbraw/zinc/34/81/74/322348174.db2.gz UZISCQJUGXSYSY-UHFFFAOYSA-N 1 0 276.311 2.572 20 70 CFIDRO CC[C@H](NC(=O)CC[NH2+]C(C)C)c1ccc(F)cc1F ZINC000161208364 322348525 /nfs/dbraw/zinc/34/85/25/322348525.db2.gz XWRHXLVSJJVHDB-AWEZNQCLSA-N 1 0 284.350 2.920 20 70 CFIDRO COC[C@@H](C)[NH2+][C@H](CNC(=O)OC(C)(C)C)CC(C)C ZINC000161264141 322349331 /nfs/dbraw/zinc/34/93/31/322349331.db2.gz NLIKNXJEMUFBLL-OLZOCXBDSA-N 1 0 288.432 2.550 20 70 CFIDRO CC[C@H]1CCCC[C@H]1[NH2+]CCC(=O)NC1CCCC1 ZINC000161414271 322351334 /nfs/dbraw/zinc/35/13/34/322351334.db2.gz MTOZYYUIPYRERR-DZGCQCFKSA-N 1 0 266.429 2.994 20 70 CFIDRO CS[C@H](C)CC(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000161434230 322351701 /nfs/dbraw/zinc/35/17/01/322351701.db2.gz NRCZCZNINQRESO-CQSZACIVSA-N 1 0 298.496 2.853 20 70 CFIDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H](C)C2CC2)C[C@@H]1C ZINC000161510018 322352970 /nfs/dbraw/zinc/35/29/70/322352970.db2.gz YIBFKLQWWFSYLO-CDGCEXEKSA-N 1 0 253.386 2.742 20 70 CFIDRO CC[C@@H](C)C[NH2+]Cc1cncc(Br)c1 ZINC000160574849 521996034 /nfs/dbraw/zinc/99/60/34/521996034.db2.gz JXWDLMDKSIEIAV-SECBINFHSA-N 1 0 257.175 2.980 20 70 CFIDRO C(CN1CC[NH+](CC2CCCCC2)CC1)OCC1CC1 ZINC000159701149 518388663 /nfs/dbraw/zinc/38/86/63/518388663.db2.gz GNBYCBIYTWIMPE-UHFFFAOYSA-N 1 0 280.456 2.611 20 70 CFIDRO CC(=O)NC1CCC([NH2+]CCCc2cccc(F)c2)CC1 ZINC000161431424 519645071 /nfs/dbraw/zinc/64/50/71/519645071.db2.gz PVPDCBPBVZNQJV-UHFFFAOYSA-N 1 0 292.398 2.795 20 70 CFIDRO CC(C)NC(=O)C[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000160936558 519708448 /nfs/dbraw/zinc/70/84/48/519708448.db2.gz YALSFBGOPZGLJN-AWEZNQCLSA-N 1 0 297.402 2.924 20 70 CFIDRO CCC[N@@H+]1CCCN(C(=O)c2cc(F)ccc2C)CC1 ZINC000160356084 519850836 /nfs/dbraw/zinc/85/08/36/519850836.db2.gz DHHQDZHTMJCVLY-UHFFFAOYSA-N 1 0 278.371 2.692 20 70 CFIDRO CC1(C)C[C@H]([NH2+]CC[S@](=O)c2ccccc2)C(C)(C)O1 ZINC000160787912 520553329 /nfs/dbraw/zinc/55/33/29/520553329.db2.gz JALFFFIYLOPXHO-VBKZILBWSA-N 1 0 295.448 2.730 20 70 CFIDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2cnc3ccccn23)C1(C)C ZINC000160569921 520567042 /nfs/dbraw/zinc/56/70/42/520567042.db2.gz AGFVRXUSVUMGFY-GJZGRUSLSA-N 1 0 287.407 2.970 20 70 CFIDRO CCC[C@@H](C)CC(=O)N1CCC[N@H+](CCC)CC1 ZINC000160370582 520621051 /nfs/dbraw/zinc/62/10/51/520621051.db2.gz LKWVBPMUKIEZEJ-CQSZACIVSA-N 1 0 254.418 2.757 20 70 CFIDRO CCCCSCCC(=O)NCC[NH+]1CCCCC1 ZINC000159890226 520950835 /nfs/dbraw/zinc/95/08/35/520950835.db2.gz SATZDUYQDVIIOD-UHFFFAOYSA-N 1 0 272.458 2.512 20 70 CFIDRO CCC(=O)N[C@@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC000159941014 521180487 /nfs/dbraw/zinc/18/04/87/521180487.db2.gz VIEICVPVWUJEPL-CQSZACIVSA-N 1 0 252.402 2.557 20 70 CFIDRO CCOc1ccccc1[C@@H](C)[NH2+]Cc1cnn(C)c1C ZINC000161309612 521573855 /nfs/dbraw/zinc/57/38/55/521573855.db2.gz BITTZBZWRRFBPX-GFCCVEGCSA-N 1 0 273.380 2.978 20 70 CFIDRO CCc1nc(C)c([C@@H](C)[NH2+]C2CCN(C)CC2)s1 ZINC000161420870 522218605 /nfs/dbraw/zinc/21/86/05/522218605.db2.gz PKKRFFVEZNGYPW-SNVBAGLBSA-N 1 0 267.442 2.759 20 70 CFIDRO CC[C@@H](C)c1cc(C(=O)NCC[N@@H+]2CCCC[C@@H]2C)on1 ZINC000160581732 522419500 /nfs/dbraw/zinc/41/95/00/522419500.db2.gz OYRLICWMAUMBPR-OLZOCXBDSA-N 1 0 293.411 2.792 20 70 CFIDRO CC[C@H](NC[C@H](C1CCCCC1)[NH+](C)C)c1cnn(C)c1 ZINC000160391682 522626808 /nfs/dbraw/zinc/62/68/08/522626808.db2.gz OVWMEUDKTIKCOK-DLBZAZTESA-N 1 0 292.471 2.971 20 70 CFIDRO COC[C@H](C)[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000161149674 522628197 /nfs/dbraw/zinc/62/81/97/522628197.db2.gz GIHYPISAXFJKKU-ZBEGNZNMSA-N 1 0 277.364 2.533 20 70 CFIDRO COC[C@H]([NH2+]C[C@@H](C)N1CCc2sccc2C1)C1CC1 ZINC000159885571 522738664 /nfs/dbraw/zinc/73/86/64/522738664.db2.gz LJCXNIRWJPTGIQ-DOMZBBRYSA-N 1 0 294.464 2.509 20 70 CFIDRO COC[C@H]([NH2+]C[C@@H](C1CCCCC1)N(C)C)C1CC1 ZINC000160425997 522740085 /nfs/dbraw/zinc/74/00/85/522740085.db2.gz GPHQPJHSMCMTJM-HOTGVXAUSA-N 1 0 268.445 2.512 20 70 CFIDRO CN(CCC[NH+]1CCCC1)CCOc1ccc(F)cc1 ZINC000161316560 522749249 /nfs/dbraw/zinc/74/92/49/522749249.db2.gz ZCOUZCIOHVHPFU-UHFFFAOYSA-N 1 0 280.387 2.622 20 70 CFIDRO CCc1ccc(CC(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000159366325 523907218 /nfs/dbraw/zinc/90/72/18/523907218.db2.gz WMMPWMIFSSHADB-UHFFFAOYSA-N 1 0 286.419 2.535 20 70 CFIDRO CC[C@H](C)[N@H+](C)CCNCc1cnc(N(CC)CC)s1 ZINC000217397653 523920031 /nfs/dbraw/zinc/92/00/31/523920031.db2.gz WQBYOBQEEHTLKW-ZDUSSCGKSA-N 1 0 298.500 2.809 20 70 CFIDRO C[NH+](C)C1(CNc2nnc(C(F)(F)F)s2)CCCC1 ZINC000160156505 524037877 /nfs/dbraw/zinc/03/78/77/524037877.db2.gz FGTQBQXCRODHDC-UHFFFAOYSA-N 1 0 294.346 2.843 20 70 CFIDRO Cc1ccc(CCC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c(C)c1 ZINC000160699796 524291359 /nfs/dbraw/zinc/29/13/59/524291359.db2.gz YCJKCJKKZGDKSS-CALCHBBNSA-N 1 0 286.419 2.589 20 70 CFIDRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cc2ccccc2s1 ZINC000159551582 524342346 /nfs/dbraw/zinc/34/23/46/524342346.db2.gz AVZDQJQPAXSBRC-WCQYABFASA-N 1 0 288.416 2.987 20 70 CFIDRO C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000159529125 524724173 /nfs/dbraw/zinc/72/41/73/524724173.db2.gz PAPAAJWOFFRAPH-PEBVRCNWSA-N 1 0 290.382 2.707 20 70 CFIDRO Cc1cccc2c1CC[C@@H]2[NH2+]CCCN1CCCC1=O ZINC000159482046 524939768 /nfs/dbraw/zinc/93/97/68/524939768.db2.gz VIUGTQKSEGYDQQ-INIZCTEOSA-N 1 0 272.392 2.584 20 70 CFIDRO COc1ccc([C@@H]2C[C@@H](C)[N@H+](CCn3ccnc3)C2)cc1 ZINC000159840042 525260681 /nfs/dbraw/zinc/26/06/81/525260681.db2.gz OYBZGTKIBYEJJG-GDBMZVCRSA-N 1 0 285.391 2.770 20 70 CFIDRO C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000159435499 525286251 /nfs/dbraw/zinc/28/62/51/525286251.db2.gz AGULVHPCAAFIAS-KCXAZCMYSA-N 1 0 290.382 2.877 20 70 CFIDRO C[C@H]([NH2+]Cc1cccc2cc[nH]c21)C(=O)N1CCCCC1 ZINC000218126230 525460403 /nfs/dbraw/zinc/46/04/03/525460403.db2.gz WEPINXUKEJCBQI-ZDUSSCGKSA-N 1 0 285.391 2.659 20 70 CFIDRO CSCC[C@@H](C)[N@H+](C)Cc1cnc2ccccn12 ZINC000160508211 525526764 /nfs/dbraw/zinc/52/67/64/525526764.db2.gz HDMPGXQJDMWHLS-GFCCVEGCSA-N 1 0 263.410 2.908 20 70 CFIDRO CSC[C@@H](CCO)[NH2+][C@@H]1CCc2c1cccc2C ZINC000160186259 525642235 /nfs/dbraw/zinc/64/22/35/525642235.db2.gz ZELMPIIGXYYHNY-IUODEOHRSA-N 1 0 265.422 2.686 20 70 CFIDRO CSC[C@@H](CCO)[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000160171889 525642297 /nfs/dbraw/zinc/64/22/97/525642297.db2.gz RXIOINMBNDAGNL-CVEARBPZSA-N 1 0 279.449 2.711 20 70 CFIDRO C[C@@H](N[C@H]1CCC[N@@H+](C2CCCCC2)C1)c1cnn(C)c1 ZINC000160071660 525676459 /nfs/dbraw/zinc/67/64/59/525676459.db2.gz LMVMKBVGASMFSA-ZBFHGGJFSA-N 1 0 290.455 2.868 20 70 CFIDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)s1 ZINC000160302985 525744618 /nfs/dbraw/zinc/74/46/18/525744618.db2.gz TWNOGJYLIZFOQH-ZYHUDNBSSA-N 1 0 276.409 2.622 20 70 CFIDRO Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CC[NH+](C(C)C)CC1 ZINC000161111333 525879787 /nfs/dbraw/zinc/87/97/87/525879787.db2.gz MVDISTYJVZIEDS-ZIAGYGMSSA-N 1 0 292.448 2.713 20 70 CFIDRO COc1cccc(CCC[N@@H+]2CCOCC2(C)C)c1 ZINC000159519595 525886197 /nfs/dbraw/zinc/88/61/97/525886197.db2.gz XEKVXTRVEPDKPR-UHFFFAOYSA-N 1 0 263.381 2.739 20 70 CFIDRO C[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccc(Cl)s1 ZINC000159402416 526007352 /nfs/dbraw/zinc/00/73/52/526007352.db2.gz KNJWMMMSLAQCIO-GARJFASQSA-N 1 0 298.839 2.858 20 70 CFIDRO O=C(CCC1CCC1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159845638 526398376 /nfs/dbraw/zinc/39/83/76/526398376.db2.gz DFSHYMCQVUHVPI-UHFFFAOYSA-N 1 0 264.413 2.557 20 70 CFIDRO O=C(CC[N@@H+]1CC[C@@H]2CCCC[C@@H]21)N1CCCCC1 ZINC000159688988 526491790 /nfs/dbraw/zinc/49/17/90/526491790.db2.gz ZGUOQAICTMARLH-GJZGRUSLSA-N 1 0 264.413 2.654 20 70 CFIDRO O=C(CCc1ccc(Cl)cc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159769026 526586002 /nfs/dbraw/zinc/58/60/02/526586002.db2.gz VMGWKVOKPZIUAC-GASCZTMLSA-N 1 0 292.810 2.626 20 70 CFIDRO Cc1nc2ccccn2c1C[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000159563149 527178549 /nfs/dbraw/zinc/17/85/49/527178549.db2.gz BYTDXKDZRCUVCO-HNNXBMFYSA-N 1 0 295.390 2.676 20 70 CFIDRO OCC1(C[NH2+]Cc2ccc(OC(F)F)cc2)CCCC1 ZINC000160108233 527523775 /nfs/dbraw/zinc/52/37/75/527523775.db2.gz LZPHUTICQROLNG-UHFFFAOYSA-N 1 0 285.334 2.930 20 70 CFIDRO OCC1(C[NH2+]Cc2ccc(-n3cccn3)cc2)CCCC1 ZINC000160119185 527524038 /nfs/dbraw/zinc/52/40/38/527524038.db2.gz PBXIXBUHUCMTRT-UHFFFAOYSA-N 1 0 285.391 2.515 20 70 CFIDRO CCCC1(CNC(=O)N2CCC[N@H+](CC)CC2)CCC1 ZINC000159980633 528045964 /nfs/dbraw/zinc/04/59/64/528045964.db2.gz WUVGJCKRXQMIEX-UHFFFAOYSA-N 1 0 281.444 2.694 20 70 CFIDRO CCCCc1ccc([C@@H](C)[NH2+][C@@H](C)CC(N)=O)cc1 ZINC000161359151 529028392 /nfs/dbraw/zinc/02/83/92/529028392.db2.gz JRHKFPYIDJDOMM-QWHCGFSZSA-N 1 0 262.397 2.944 20 70 CFIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(C)cc1)CC2 ZINC000160548303 282117541 /nfs/dbraw/zinc/11/75/41/282117541.db2.gz WIWBNOMEQAFQGQ-WFASDCNBSA-N 1 0 270.380 2.561 20 70 CFIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccccc1C)CC2 ZINC000159597219 282117594 /nfs/dbraw/zinc/11/75/94/282117594.db2.gz HZTHAJRQXJHSNO-JSGCOSHPSA-N 1 0 270.380 2.561 20 70 CFIDRO CN(CCC1CC1)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000160906734 282239633 /nfs/dbraw/zinc/23/96/33/282239633.db2.gz BSDAQLQUOOLCDW-CYBMUJFWSA-N 1 0 295.452 2.792 20 70 CFIDRO CCc1ccc([C@@H](C)C(=O)N2CCC[C@@H]2C[NH2+]C)cc1 ZINC000161230469 529702368 /nfs/dbraw/zinc/70/23/68/529702368.db2.gz JQONZDOUVSYJIG-CZUORRHYSA-N 1 0 274.408 2.563 20 70 CFIDRO C[NH2+]C[C@H](C)C(=O)N(C)[C@H](C)c1cc(C)ccc1C ZINC000159967766 290703443 /nfs/dbraw/zinc/70/34/43/290703443.db2.gz DHKQWNVVHVGODF-UONOGXRCSA-N 1 0 262.397 2.678 20 70 CFIDRO c1c(C[NH2+]C2Cc3ccccc3C2)nc2ccccn12 ZINC000159426975 232244762 /nfs/dbraw/zinc/24/47/62/232244762.db2.gz MGIZGNPCKIWPFK-UHFFFAOYSA-N 1 0 263.344 2.591 20 70 CFIDRO O=C(CCSc1ccccc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159858526 232246320 /nfs/dbraw/zinc/24/63/20/232246320.db2.gz CEKYTHPDXDDDIB-OKILXGFUSA-N 1 0 290.432 2.522 20 70 CFIDRO Cc1ccc(C)c([C@@H](C)N(C)C(=O)C[C@@H]2CCC[NH2+]2)c1 ZINC000159970231 232246663 /nfs/dbraw/zinc/24/66/63/232246663.db2.gz RTDKPMWLGXVSBI-CABCVRRESA-N 1 0 274.408 2.965 20 70 CFIDRO Cc1cc(C)cc(C[C@@H](C)NC(=O)CC2CC[NH2+]CC2)c1 ZINC000161348567 232251008 /nfs/dbraw/zinc/25/10/08/232251008.db2.gz JPASQDINMFZBTA-OAHLLOKOSA-N 1 0 288.435 2.740 20 70 CFIDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)c1ccsc1 ZINC000159770222 348013940 /nfs/dbraw/zinc/01/39/40/348013940.db2.gz SJWLVQRQELUKBZ-GXTWGEPZSA-N 1 0 280.437 2.842 20 70 CFIDRO CSCCCCNC(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000159722675 348014096 /nfs/dbraw/zinc/01/40/96/348014096.db2.gz XYRPRPVXZMMHBK-LBPRGKRZSA-N 1 0 286.828 2.599 20 70 CFIDRO CCSCC[C@H](C)[NH2+]C[C@@H](O)COc1ccc(C)cc1 ZINC000160165079 348015810 /nfs/dbraw/zinc/01/58/10/348015810.db2.gz YOVWHTWJFUZZAL-LSDHHAIUSA-N 1 0 297.464 2.856 20 70 CFIDRO CC(C)[N@H+](C)CCNC(=O)CC/C=C/c1ccccc1 ZINC000160178493 348015923 /nfs/dbraw/zinc/01/59/23/348015923.db2.gz YBFONJROWJUBQR-YRNVUSSQSA-N 1 0 274.408 2.936 20 70 CFIDRO FC(F)(F)c1nnc(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)s1 ZINC000160327050 348016762 /nfs/dbraw/zinc/01/67/62/348016762.db2.gz WDKZMHPDOKXGJP-SFYZADRCSA-N 1 0 292.330 2.596 20 70 CFIDRO C[C@H](Cc1ccsc1)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000160458333 348017823 /nfs/dbraw/zinc/01/78/23/348017823.db2.gz DFDHIGWMEHMSEE-BNOWGMLFSA-N 1 0 253.411 2.820 20 70 CFIDRO CCC(CC)CNC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000160546261 348019071 /nfs/dbraw/zinc/01/90/71/348019071.db2.gz FOMWHGBZHKJVNN-UHFFFAOYSA-N 1 0 283.460 2.796 20 70 CFIDRO CC[C@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000160700531 348019675 /nfs/dbraw/zinc/01/96/75/348019675.db2.gz FYCDSGMEWXESFY-GOEBONIOSA-N 1 0 293.455 2.692 20 70 CFIDRO Cc1ccc2c(c1)N(C(=O)N[C@@H]1CC[N@H+](CC3CC3)C1)CC2 ZINC000160652246 348019852 /nfs/dbraw/zinc/01/98/52/348019852.db2.gz KBAKYBAQYYUAGO-MRXNPFEDSA-N 1 0 299.418 2.551 20 70 CFIDRO C[C@@H]1CCCC[C@H]1N(C)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160714038 348020565 /nfs/dbraw/zinc/02/05/65/348020565.db2.gz RXQVGWAXSVCNHZ-FVQBIDKESA-N 1 0 293.455 2.691 20 70 CFIDRO CC[C@@H]([NH2+]CC(=O)Nc1cccnc1)c1ccc(F)cc1 ZINC000160862464 348021470 /nfs/dbraw/zinc/02/14/70/348021470.db2.gz AKWRIJWZARJEJG-OAHLLOKOSA-N 1 0 287.338 2.900 20 70 CFIDRO CC(C)[NH2+]CCC(=O)NCc1ccccc1OC1CCC1 ZINC000161199255 348023718 /nfs/dbraw/zinc/02/37/18/348023718.db2.gz AICQYWIUXFJKPK-UHFFFAOYSA-N 1 0 290.407 2.622 20 70 CFIDRO CCC(CC)(C[NH3+])C(=O)N[C@@H]1CCc2c1cccc2C ZINC000161215636 348024143 /nfs/dbraw/zinc/02/41/43/348024143.db2.gz AEGKRXNYLLXJOP-OAHLLOKOSA-N 1 0 274.408 2.864 20 70 CFIDRO COc1cc(C[NH2+]CCCC2CC2)cc(OC)c1O ZINC000161499525 348024275 /nfs/dbraw/zinc/02/42/75/348024275.db2.gz BKRHPTSXDSPKHH-UHFFFAOYSA-N 1 0 265.353 2.689 20 70 CFIDRO c1[nH]nc2cc(C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)ccc12 ZINC000159586958 539825665 /nfs/dbraw/zinc/82/56/65/539825665.db2.gz LEUBWPOXSTUWPG-IMJJTQAJSA-N 1 0 283.375 2.610 20 70 CFIDRO CC(C)[C@H](C(=O)N1CC[C@@H]([NH3+])C1)c1cccc(Cl)c1 ZINC000160259371 188462115 /nfs/dbraw/zinc/46/21/15/188462115.db2.gz IZIXYGNETYAWSY-KGLIPLIRSA-N 1 0 280.799 2.639 20 70 CFIDRO C[NH2+]C[C@H](C)C(=O)Nc1ccc(OCCC(C)C)cc1 ZINC000160305284 188464502 /nfs/dbraw/zinc/46/45/02/188464502.db2.gz AAZKZFLYTYQBCU-ZDUSSCGKSA-N 1 0 278.396 2.906 20 70 CFIDRO CCC([NH3+])(CC)CNC(=O)C[C@H](C)c1ccccc1 ZINC000160468086 188474275 /nfs/dbraw/zinc/47/42/75/188474275.db2.gz RGVUMGWOVKDSFD-ZDUSSCGKSA-N 1 0 262.397 2.814 20 70 CFIDRO CCc1ccc(-c2ccc(C(=O)N3CC[C@@H]([NH2+]C)C3)o2)cc1 ZINC000160684516 188485974 /nfs/dbraw/zinc/48/59/74/188485974.db2.gz FFVWOSOPVBWAGI-OAHLLOKOSA-N 1 0 298.386 2.943 20 70 CFIDRO CC[C@H](NC(=O)[C@H](C)C[NH2+]C)C(C)(C)c1ccccc1 ZINC000160761877 188490039 /nfs/dbraw/zinc/49/00/39/188490039.db2.gz RMQBGGOHFOTUPD-HIFRSBDPSA-N 1 0 276.424 2.715 20 70 CFIDRO C[C@H](CNC(=O)CCCCCC[NH3+])Oc1ccccc1F ZINC000161159057 188511990 /nfs/dbraw/zinc/51/19/90/188511990.db2.gz IJYLGFOUQWYIST-CYBMUJFWSA-N 1 0 296.386 2.618 20 70 CFIDRO CC[NH2+]CC1CCN(C(=O)C[C@H](CC)C(C)C)CC1 ZINC000161003145 188502992 /nfs/dbraw/zinc/50/29/92/188502992.db2.gz OZEAGVPNUONABV-HNNXBMFYSA-N 1 0 268.445 2.907 20 70 CFIDRO C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)[C@H]1CCC[NH2+]C1 ZINC000161053089 188505087 /nfs/dbraw/zinc/50/50/87/188505087.db2.gz UKBGTONPXNRLFG-OCCSQVGLSA-N 1 0 294.826 2.729 20 70 CFIDRO Cc1ccc2cc(C(=O)N3CCC[C@H]([NH+](C)C)C3)ccc2n1 ZINC000161480803 188530071 /nfs/dbraw/zinc/53/00/71/188530071.db2.gz ICLUPDHMLXUCIT-INIZCTEOSA-N 1 0 297.402 2.709 20 70 CFIDRO CCCn1nccc1C[NH2+]C[C@H](c1cccs1)N(C)C ZINC000159987289 540666773 /nfs/dbraw/zinc/66/67/73/540666773.db2.gz KICGSUQXGOEJSE-CQSZACIVSA-N 1 0 292.452 2.747 20 70 CFIDRO CCCn1nccc1CNC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000160113418 540668852 /nfs/dbraw/zinc/66/88/52/540668852.db2.gz FCZKKDZPKGZXHY-NVXWUHKLSA-N 1 0 292.471 2.893 20 70 CFIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CC2CCCCCC2)C1 ZINC000160890507 540682391 /nfs/dbraw/zinc/68/23/91/540682391.db2.gz QQEUOVGZPVHXNS-ZIAGYGMSSA-N 1 0 252.402 2.733 20 70 CFIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000160966772 540684926 /nfs/dbraw/zinc/68/49/26/540684926.db2.gz SWUQHLTVTBPNKV-UWVGGRQHSA-N 1 0 287.190 2.993 20 70 CFIDRO [NH3+][C@H]1CCC[C@H](NC(=O)CCc2ccc(Cl)s2)C1 ZINC000161081738 540688128 /nfs/dbraw/zinc/68/81/28/540688128.db2.gz YJYBEDJUEFYGLR-UWVGGRQHSA-N 1 0 286.828 2.720 20 70 CFIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)COc2ccc3ccccc3c2)C1 ZINC000161188335 540689999 /nfs/dbraw/zinc/68/99/99/540689999.db2.gz GEVHBDIBAQXVFD-JKSUJKDBSA-N 1 0 298.386 2.605 20 70 CFIDRO Cc1ccc(C)c(SCC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000161418555 540692866 /nfs/dbraw/zinc/69/28/66/540692866.db2.gz QVFCZCKYWXKUTL-UONOGXRCSA-N 1 0 292.448 2.782 20 70 CFIDRO C[C@H]1CN(C(=O)c2cc3ccc(F)cc3s2)CC[C@H]1[NH3+] ZINC000161214262 540691250 /nfs/dbraw/zinc/69/12/50/540691250.db2.gz DBWZRCSZXSAZRT-JOYOIKCWSA-N 1 0 292.379 2.850 20 70 CFIDRO CCn1nccc1C[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000159976936 541019515 /nfs/dbraw/zinc/01/95/15/541019515.db2.gz NDFJZSILXOHXQW-QGZVFWFLSA-N 1 0 298.434 2.657 20 70 CFIDRO CCn1nccc1C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000160110541 541021621 /nfs/dbraw/zinc/02/16/21/541021621.db2.gz BPGTZDLWFUDTEP-UHFFFAOYSA-N 1 0 284.407 2.662 20 70 CFIDRO CC[C@H]([NH2+]Cc1ccc(C)nc1)c1c(C)nn(C)c1C ZINC000161328063 541586547 /nfs/dbraw/zinc/58/65/47/541586547.db2.gz RIMPPHIGRAKNHJ-HNNXBMFYSA-N 1 0 272.396 2.981 20 70 CFIDRO CS(=O)(=O)CCCC[N@@H+]1CCC[C@@H]1C1CCCCC1 ZINC000161500601 541656786 /nfs/dbraw/zinc/65/67/86/541656786.db2.gz LNWCFLVEODSKMN-OAHLLOKOSA-N 1 0 287.469 2.856 20 70 CFIDRO Cc1cc(Cl)ccc1C(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000159908601 378737391 /nfs/dbraw/zinc/73/73/91/378737391.db2.gz SRSXZNCRILLGQH-CYBMUJFWSA-N 1 0 280.799 2.815 20 70 CFIDRO Cc1cc(Cl)ccc1C(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000159908736 378737801 /nfs/dbraw/zinc/73/78/01/378737801.db2.gz SRSXZNCRILLGQH-ZDUSSCGKSA-N 1 0 280.799 2.815 20 70 CFIDRO C/C(=C\c1ccccc1Cl)C(=O)NC1CC[NH+](C)CC1 ZINC000160243466 378757478 /nfs/dbraw/zinc/75/74/78/378757478.db2.gz MYHLKDMXOPFFIF-VAWYXSNFSA-N 1 0 292.810 2.954 20 70 CFIDRO COC(=O)c1ccc(C[NH2+][C@@H]2CCOC(C)(C)C2)cc1 ZINC000159985886 378742611 /nfs/dbraw/zinc/74/26/11/378742611.db2.gz UGHJHQQIUBPLJR-CQSZACIVSA-N 1 0 277.364 2.520 20 70 CFIDRO CC(C)(CCCc1ccccc1)C(=O)NCCC[NH3+] ZINC000160016084 378743422 /nfs/dbraw/zinc/74/34/22/378743422.db2.gz ZITCISTYXLIECV-UHFFFAOYSA-N 1 0 262.397 2.501 20 70 CFIDRO C[C@H](CC(=O)N(C)c1ccccc1)[NH2+][C@H](C)C1CC1 ZINC000160141539 378750520 /nfs/dbraw/zinc/75/05/20/378750520.db2.gz IEQGZLCQQHKGOQ-CHWSQXEVSA-N 1 0 260.381 2.816 20 70 CFIDRO C[C@@H](CO)[C@@H](C)[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000160152376 378751919 /nfs/dbraw/zinc/75/19/19/378751919.db2.gz UDKOZOWXOUNNBR-DTWKUNHWSA-N 1 0 279.277 2.951 20 70 CFIDRO C[N@@H+](Cc1cc(-c2cccs2)on1)C[C@@H]1CCC[C@@H]1O ZINC000159491340 378712065 /nfs/dbraw/zinc/71/20/65/378712065.db2.gz UBDZRRFEAIZPEN-AAEUAGOBSA-N 1 0 292.404 2.996 20 70 CFIDRO CCc1nc(C)c([C@@H](C)[NH2+]CCCN2CCCC2=O)s1 ZINC000159471976 378712435 /nfs/dbraw/zinc/71/24/35/378712435.db2.gz NOIXBTMIFOXBMR-LLVKDONJSA-N 1 0 295.452 2.677 20 70 CFIDRO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc2cccnc21 ZINC000159568583 378716800 /nfs/dbraw/zinc/71/68/00/378716800.db2.gz MIYAKNANXANNBS-GASCZTMLSA-N 1 0 266.344 2.931 20 70 CFIDRO Cc1n[nH]c(C)c1C[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000159589016 378718578 /nfs/dbraw/zinc/71/85/78/378718578.db2.gz LZWMNITWLGYTJZ-WVDJIFEKSA-N 1 0 291.420 2.615 20 70 CFIDRO COc1cccc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000159617048 378719808 /nfs/dbraw/zinc/71/98/08/378719808.db2.gz GEFCQYZJMLABQL-JYJNAYRXSA-N 1 0 273.376 2.742 20 70 CFIDRO C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+][C@@H]1CCCSC1 ZINC000159635932 378721805 /nfs/dbraw/zinc/72/18/05/378721805.db2.gz FSIJLUPVAQKCRQ-UONOGXRCSA-N 1 0 292.448 2.913 20 70 CFIDRO CCSCC[N@@H+]1CCc2ccc(OC)cc2C1 ZINC000159622588 378721816 /nfs/dbraw/zinc/72/18/16/378721816.db2.gz BCQOLLWGGKJTHD-UHFFFAOYSA-N 1 0 251.395 2.806 20 70 CFIDRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC1CCCCCC1 ZINC000159672869 378722497 /nfs/dbraw/zinc/72/24/97/378722497.db2.gz GJJNSMZEOLWBMY-GXTWGEPZSA-N 1 0 252.402 2.543 20 70 CFIDRO CCC[NH+]1CCN(Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000159667315 378722588 /nfs/dbraw/zinc/72/25/88/378722588.db2.gz BHRIBSYIFOVNHK-UHFFFAOYSA-N 1 0 284.407 2.604 20 70 CFIDRO CC(C)COC[C@@H]([NH2+]CCC(C)(C)O)c1ccco1 ZINC000159652902 378723572 /nfs/dbraw/zinc/72/35/72/378723572.db2.gz SJJJDNPLNKCCNR-CYBMUJFWSA-N 1 0 269.385 2.744 20 70 CFIDRO CC[NH+](CC)[C@H](CNC(=O)NC1(C)CCC1)c1ccco1 ZINC000160216279 378756322 /nfs/dbraw/zinc/75/63/22/378756322.db2.gz BBKCPAORLULWSB-CYBMUJFWSA-N 1 0 293.411 2.904 20 70 CFIDRO CSCC[C@H]([NH3+])C(=O)N[C@H]1CCC[C@H]1c1ccccc1 ZINC000159716973 378725983 /nfs/dbraw/zinc/72/59/83/378725983.db2.gz LDNIMBRCQPPYDU-KKUMJFAQSA-N 1 0 292.448 2.519 20 70 CFIDRO CC[C@@H](NC(=O)[C@H]1CCCC[NH2+]1)c1ccc(F)cc1F ZINC000159725917 378727707 /nfs/dbraw/zinc/72/77/07/378727707.db2.gz MLORBGCQOHISPZ-ZIAGYGMSSA-N 1 0 282.334 2.674 20 70 CFIDRO C[C@H]([NH2+][C@H](CC(N)=O)C1CCCCC1)c1ccccn1 ZINC000159751901 378728859 /nfs/dbraw/zinc/72/88/59/378728859.db2.gz KZDKMIQYLKWEBO-SWLSCSKDSA-N 1 0 275.396 2.557 20 70 CFIDRO O=C([C@H]1CCCC[NH2+]1)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000159806071 378731678 /nfs/dbraw/zinc/73/16/78/378731678.db2.gz JCUCUVITYKVDOO-DZGCQCFKSA-N 1 0 292.810 2.798 20 70 CFIDRO CCc1nc(C)c([C@@H](C)[N@H+](C)CCn2ccnc2)s1 ZINC000159848707 378733437 /nfs/dbraw/zinc/73/34/37/378733437.db2.gz UNQRAAKSMLUGFD-GFCCVEGCSA-N 1 0 278.425 2.903 20 70 CFIDRO Cc1cccc(C)c1OCC[NH2+][C@H](C)c1cnccn1 ZINC000160274179 378760844 /nfs/dbraw/zinc/76/08/44/378760844.db2.gz BNZNEVVFRPDWFK-CQSZACIVSA-N 1 0 271.364 2.823 20 70 CFIDRO CC[C@@H](C(=O)NCc1ccccc1OCC(C)C)[NH+](C)C ZINC000160295162 378762222 /nfs/dbraw/zinc/76/22/22/378762222.db2.gz UMVFNIZDIQIHPR-HNNXBMFYSA-N 1 0 292.423 2.678 20 70 CFIDRO C[C@@H](Sc1ccccc1Cl)C(=O)N1CCC[C@H]1C[NH3+] ZINC000160352016 378765098 /nfs/dbraw/zinc/76/50/98/378765098.db2.gz ZHAVJDFJUGCRCE-MNOVXSKESA-N 1 0 298.839 2.770 20 70 CFIDRO CC(C)N(C)C(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160380285 378766703 /nfs/dbraw/zinc/76/67/03/378766703.db2.gz XCBZKZPTLOSQNC-HOCLYGCPSA-N 1 0 289.423 2.699 20 70 CFIDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1CCC[C@H](C)C1 ZINC000160366376 378767300 /nfs/dbraw/zinc/76/73/00/378767300.db2.gz RDYRHDOSNIIEDN-SOUVJXGZSA-N 1 0 266.429 2.803 20 70 CFIDRO CC(C)[C@@H](C)[NH2+]Cc1ccccc1CN1CCOCC1 ZINC000160440954 378771688 /nfs/dbraw/zinc/77/16/88/378771688.db2.gz YWVPWLISUCRKSA-OAHLLOKOSA-N 1 0 276.424 2.653 20 70 CFIDRO CC1(C)C[C@@H]([NH2+]Cc2cccnc2Cl)CCO1 ZINC000160440287 378772539 /nfs/dbraw/zinc/77/25/39/378772539.db2.gz YSKVRXXAUZJNNK-NSHDSACASA-N 1 0 254.761 2.782 20 70 CFIDRO c1cc(N2CCC[C@H]2C[NH+]2CCCCC2)nc(C2CC2)n1 ZINC000160452969 378773721 /nfs/dbraw/zinc/77/37/21/378773721.db2.gz NEFOCJCFRBIWRZ-HNNXBMFYSA-N 1 0 286.423 2.809 20 70 CFIDRO C[C@@H](NC1CC[NH+](C2CCCC2)CC1)c1cnccn1 ZINC000160477808 378776303 /nfs/dbraw/zinc/77/63/03/378776303.db2.gz KHRBJFJUONXYOF-CYBMUJFWSA-N 1 0 274.412 2.534 20 70 CFIDRO CC1(C)C[C@@H]([NH2+]Cc2cnn(-c3ccccc3)c2)CCO1 ZINC000160508592 378777462 /nfs/dbraw/zinc/77/74/62/378777462.db2.gz HUSADAAWAMZGNF-HNNXBMFYSA-N 1 0 285.391 2.920 20 70 CFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cc3ccccc3o1)CC2 ZINC000160551295 378780412 /nfs/dbraw/zinc/78/04/12/378780412.db2.gz RCLIFPCFYGOKSR-BXUZGUMPSA-N 1 0 296.374 2.998 20 70 CFIDRO O=C(N1CC[C@H]([NH+]2CCCCC2)C1)N1CCCCCC1 ZINC000160557993 378781025 /nfs/dbraw/zinc/78/10/25/378781025.db2.gz FSVWCAJXPIKIMK-HNNXBMFYSA-N 1 0 279.428 2.543 20 70 CFIDRO Cc1n[nH]cc1C[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000160632930 378785898 /nfs/dbraw/zinc/78/58/98/378785898.db2.gz PGILNPJVPNVGEO-UHFFFAOYSA-N 1 0 281.306 2.952 20 70 CFIDRO Cc1cc(C)c2c(c1)[C@@H]([NH2+]CC(C)(C)O)CCCO2 ZINC000160640782 378788575 /nfs/dbraw/zinc/78/85/75/378788575.db2.gz UFLYKAYNPWMMTR-AWEZNQCLSA-N 1 0 263.381 2.878 20 70 CFIDRO CC[C@H](NC(=O)CC1CC[NH2+]CC1)c1cc(F)ccc1F ZINC000160657852 378789878 /nfs/dbraw/zinc/78/98/78/378789878.db2.gz DETHQADTUSCXJR-HNNXBMFYSA-N 1 0 296.361 2.922 20 70 CFIDRO CC[C@@H](NC(=O)[C@H]1CCC[NH2+]C1)c1ccc(F)cc1F ZINC000161209682 378831040 /nfs/dbraw/zinc/83/10/40/378831040.db2.gz XAOXASBLRAAMDW-IINYFYTJSA-N 1 0 282.334 2.532 20 70 CFIDRO CCCOc1cc(C[N@H+](CCC)CCO)ccc1OC ZINC000161222993 378831583 /nfs/dbraw/zinc/83/15/83/378831583.db2.gz LSBAQEGIKXWAHE-UHFFFAOYSA-N 1 0 281.396 2.688 20 70 CFIDRO Cc1ccc(C(C)(C)CN(C)C(=O)C[C@@H]2CCC[NH2+]2)cc1 ZINC000161257764 378834134 /nfs/dbraw/zinc/83/41/34/378834134.db2.gz ORKQOQMVJVSAPF-INIZCTEOSA-N 1 0 288.435 2.873 20 70 CFIDRO [NH3+]C1(C(=O)N[C@H](Cc2ccccc2)C2CC2)CCCCC1 ZINC000161260347 378834754 /nfs/dbraw/zinc/83/47/54/378834754.db2.gz DRTICUFCOFZUCA-MRXNPFEDSA-N 1 0 286.419 2.786 20 70 CFIDRO CC[C@H](COC)[NH2+]C[C@H](C)N(C)Cc1ccccc1 ZINC000160888761 378807004 /nfs/dbraw/zinc/80/70/04/378807004.db2.gz VZXPQFBCBRZYTF-GOEBONIOSA-N 1 0 264.413 2.522 20 70 CFIDRO CCC(CC)c1cc(CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)on1 ZINC000161109571 378823253 /nfs/dbraw/zinc/82/32/53/378823253.db2.gz YGTRAYGMXZEGPU-OLZOCXBDSA-N 1 0 293.411 2.712 20 70 CFIDRO CCC[C@@H]([NH3+])C(=O)NC(C)(C)c1cccc(Cl)c1 ZINC000161163286 378826905 /nfs/dbraw/zinc/82/69/05/378826905.db2.gz FDWXRNFVLSCNQL-GFCCVEGCSA-N 1 0 268.788 2.819 20 70 CFIDRO CCC[C@@H](C(=O)N[C@@H]1CCc2ccccc21)[NH+](C)C ZINC000161346068 378840498 /nfs/dbraw/zinc/84/04/98/378840498.db2.gz SOAOSLCAZKTZQQ-CABCVRRESA-N 1 0 260.381 2.520 20 70 CFIDRO C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000161421123 378846141 /nfs/dbraw/zinc/84/61/41/378846141.db2.gz POXOXIYPCFAEPZ-BPLDGKMQSA-N 1 0 274.408 2.764 20 70 CFIDRO CC[NH+](CC)[C@H](C)CNC(=O)c1ccc(C(C)C)nc1 ZINC000161426335 378846653 /nfs/dbraw/zinc/84/66/53/378846653.db2.gz VJCBRHFQYLSDJF-CYBMUJFWSA-N 1 0 277.412 2.665 20 70 CFIDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cnc(C(C)C)s1 ZINC000161469077 378849436 /nfs/dbraw/zinc/84/94/36/378849436.db2.gz SSTVIAIAPAYYGK-NSHDSACASA-N 1 0 283.441 2.727 20 70 CFIDRO CC(C)[N@H+](CCc1nccs1)Cc1cccnc1 ZINC000159803181 322328458 /nfs/dbraw/zinc/32/84/58/322328458.db2.gz VWHPYANDQFJGTE-UHFFFAOYSA-N 1 0 261.394 2.991 20 70 CFIDRO CCN(CC[NH2+][C@H]1CCCc2ccc(O)cc21)C1CC1 ZINC000217439227 382787051 /nfs/dbraw/zinc/78/70/51/382787051.db2.gz RSZKVIKRDZPXDK-KRWDZBQOSA-N 1 0 274.408 2.844 20 70 CFIDRO C[C@H](Cn1ccnc1)[NH2+]Cc1cccc2cc[nH]c21 ZINC000218105420 382789257 /nfs/dbraw/zinc/78/92/57/382789257.db2.gz LHBRYAKETVRRNU-GFCCVEGCSA-N 1 0 254.337 2.543 20 70 CFIDRO COc1ccccc1C[C@H](C)[NH2+][C@H]1CCN2CCCC[C@@H]12 ZINC000218125538 382789502 /nfs/dbraw/zinc/78/95/02/382789502.db2.gz NMBKRJLHZOPLHP-XIRDDKMYSA-N 1 0 288.435 2.843 20 70 CFIDRO C[C@H](C[NH2+]Cc1ccc2cc[nH]c2c1)N(C)C1CC1 ZINC000217537154 393756817 /nfs/dbraw/zinc/75/68/17/393756817.db2.gz CLLBTIXKKWDXSW-GFCCVEGCSA-N 1 0 257.381 2.740 20 70 CFIDRO CC1CCC(O)(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)CC1 ZINC000160707957 394366929 /nfs/dbraw/zinc/36/69/29/394366929.db2.gz MWHDWOGTNMLSFC-MYBQVCMBSA-N 1 0 281.440 2.555 20 70 CFIDRO C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000161247128 394367190 /nfs/dbraw/zinc/36/71/90/394367190.db2.gz XWJQFLWSUAWEDV-NWANDNLSSA-N 1 0 290.382 2.530 20 70 CFIDRO COc1c(C)cnc(C[N@@H+]2CCCSCC2)c1C ZINC000161485613 394367227 /nfs/dbraw/zinc/36/72/27/394367227.db2.gz XLGLUIRWJDDEDB-UHFFFAOYSA-N 1 0 266.410 2.646 20 70 CFIDRO COC(C[N@@H+]1C[C@@H](C)C[C@@H]1c1cccc(F)c1)OC ZINC000161271274 292079614 /nfs/dbraw/zinc/07/96/14/292079614.db2.gz LRHPOJPLFVQBHN-SMDDNHRTSA-N 1 0 267.344 2.828 20 70 CFIDRO CO[C@]1(C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CCOC1 ZINC000160104785 286174187 /nfs/dbraw/zinc/17/41/87/286174187.db2.gz FAAABRNCYSLGLC-TUAOUCFPSA-N 1 0 281.318 2.503 20 70 CFIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](Cc1ccccc1)C1CC1)CC2 ZINC000160321396 274854198 /nfs/dbraw/zinc/85/41/98/274854198.db2.gz PEOHRQBMPNMTSC-DLBZAZTESA-N 1 0 296.418 2.512 20 70 CFIDRO CC(C)NC(=O)C[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000160972784 275654763 /nfs/dbraw/zinc/65/47/63/275654763.db2.gz XHKLWIYFVJXLEK-AWEZNQCLSA-N 1 0 288.391 2.547 20 70 CFIDRO CCC[C@@H]([NH3+])C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000161396461 276024231 /nfs/dbraw/zinc/02/42/31/276024231.db2.gz AJZYBTMNDDODME-OLZOCXBDSA-N 1 0 276.380 2.532 20 70 CFIDRO CCC[C@@H]([NH3+])C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000161396187 276024328 /nfs/dbraw/zinc/02/43/28/276024328.db2.gz AJZYBTMNDDODME-CHWSQXEVSA-N 1 0 276.380 2.532 20 70 CFIDRO CC1CC[NH+](CCNC(=O)[C@H]2CCC[C@H](C)C2)CC1 ZINC000160552825 276197993 /nfs/dbraw/zinc/19/79/93/276197993.db2.gz ODIYJYDJYYXVGV-GJZGRUSLSA-N 1 0 266.429 2.661 20 70 CFIDRO CC(C)C[NH+]1CCC(NC(=O)N2CCC3(CCC3)C2)CC1 ZINC000159828394 277383788 /nfs/dbraw/zinc/38/37/88/277383788.db2.gz LVRXFFGBMGHYCE-UHFFFAOYSA-N 1 0 293.455 2.692 20 70 CFIDRO CSC[C@H](CCO)[NH2+][C@H]1c2ccccc2C[C@@H]1C ZINC000160236472 278137587 /nfs/dbraw/zinc/13/75/87/278137587.db2.gz BYYRBPVKTXEXHP-CORIIIEPSA-N 1 0 265.422 2.624 20 70 CFIDRO CS[C@H]1CCC[C@H]([NH2+]C2CCC(NC(C)=O)CC2)C1 ZINC000161502933 278162064 /nfs/dbraw/zinc/16/20/64/278162064.db2.gz AJNOYXOQSFZMPP-WUCCLRPBSA-N 1 0 284.469 2.698 20 70 CFIDRO CC1(C)CC[C@H](C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)O1 ZINC000160835246 278277712 /nfs/dbraw/zinc/27/77/12/278277712.db2.gz LFGFPVGVDYNWOD-IIAWOOMASA-N 1 0 267.413 2.571 20 70 CFIDRO CC[C@H]([NH2+]CCN(C)CCOC)C1CCCCC1 ZINC000159422540 288041057 /nfs/dbraw/zinc/04/10/57/288041057.db2.gz IEYFTOVXXRSUSZ-HNNXBMFYSA-N 1 0 256.434 2.513 20 70 CFIDRO Cc1nc(Cl)cc(N2CCC[C@H]2C[NH+]2CCCCC2)n1 ZINC000160445422 279085955 /nfs/dbraw/zinc/08/59/55/279085955.db2.gz UZQYBOSOJDCOBF-ZDUSSCGKSA-N 1 0 294.830 2.893 20 70 CFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(C)cc1C)CC2 ZINC000160489741 279143789 /nfs/dbraw/zinc/14/37/89/279143789.db2.gz ZYZAXDOLXGWWNV-DZGCQCFKSA-N 1 0 284.407 2.869 20 70 CFIDRO CC(C)C[C@H]([NH3+])C(=O)N1CCSC2(CCCCC2)C1 ZINC000161449000 279176174 /nfs/dbraw/zinc/17/61/74/279176174.db2.gz OFONGDOUVRTORY-ZDUSSCGKSA-N 1 0 284.469 2.638 20 70 CFIDRO CC(C)C[C@H]1CCCCCN1C(=O)C[C@@H]1CCC[NH2+]1 ZINC000159919467 279203441 /nfs/dbraw/zinc/20/34/41/279203441.db2.gz VBDCLWPUNKNGCX-LSDHHAIUSA-N 1 0 266.429 2.946 20 70 CFIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H]2CCC[C@H](C3CC3)C2)CC1 ZINC000159909422 279286306 /nfs/dbraw/zinc/28/63/06/279286306.db2.gz ZAASPGWDDKMANF-JKSUJKDBSA-N 1 0 293.455 2.692 20 70 CFIDRO CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1CCCCC1(C)C ZINC000159606036 279430360 /nfs/dbraw/zinc/43/03/60/279430360.db2.gz GBFNVCNWBMUFLV-CQSZACIVSA-N 1 0 283.460 2.937 20 70 CFIDRO C[N@H+](CCOc1cccc(Cl)c1)C[C@H]1CCC[C@@H]1O ZINC000159723893 322327295 /nfs/dbraw/zinc/32/72/95/322327295.db2.gz CJVMRIYOAGWEOF-DOMZBBRYSA-N 1 0 283.799 2.812 20 70 CFIDRO C[C@@H](CNC(=O)NCC1(C2CC2)CC1)[NH+]1CCC(C)CC1 ZINC000159785472 322327924 /nfs/dbraw/zinc/32/79/24/322327924.db2.gz DQYRZUJWSABOQY-AWEZNQCLSA-N 1 0 293.455 2.596 20 70 CFIDRO CCN(CC)C(=O)C[C@H](C)[NH2+]CCCc1cccc(F)c1 ZINC000159799610 322328436 /nfs/dbraw/zinc/32/84/36/322328436.db2.gz PVNAPERDNPZCRU-AWEZNQCLSA-N 1 0 294.414 2.995 20 70 CFIDRO C[NH+](C)[C@@H]1CCCN(C(=O)C2CCC(C)(C)CC2)C1 ZINC000159877755 322329306 /nfs/dbraw/zinc/32/93/06/322329306.db2.gz QKKSUQQKGLEPFC-CQSZACIVSA-N 1 0 266.429 2.755 20 70 CFIDRO CCC[N@H+](CC)CCNC(=O)CCc1ccc(F)cc1F ZINC000159914776 322329774 /nfs/dbraw/zinc/32/97/74/322329774.db2.gz SKDTZXJPMAUUQX-UHFFFAOYSA-N 1 0 298.377 2.746 20 70 CFIDRO CC(C)CCCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000159897701 322329789 /nfs/dbraw/zinc/32/97/89/322329789.db2.gz NKNCWBNYDOLHSW-UHFFFAOYSA-N 1 0 262.397 2.914 20 70 CFIDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC1(C)CCC1 ZINC000159937677 322330415 /nfs/dbraw/zinc/33/04/15/322330415.db2.gz ZCXXEGULBGDVSK-HZSPNIEDSA-N 1 0 281.444 2.595 20 70 CFIDRO CC1CC[NH+](CCCNC(=O)N2CC[C@@H](C)[C@@H](C)C2)CC1 ZINC000159943592 322330615 /nfs/dbraw/zinc/33/06/15/322330615.db2.gz KAWJWKHPHZKLOS-CVEARBPZSA-N 1 0 295.471 2.796 20 70 CFIDRO CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)c1ccccc1 ZINC000159984845 322331489 /nfs/dbraw/zinc/33/14/89/322331489.db2.gz OWWCZJHOFWVHRV-GDBMZVCRSA-N 1 0 276.424 2.883 20 70 CFIDRO C[N@@H+]1CC[C@@H](CNC(=O)CC2CCC(C)(C)CC2)C1 ZINC000160107064 322333068 /nfs/dbraw/zinc/33/30/68/322333068.db2.gz RJRPEPVHYDWBMH-AWEZNQCLSA-N 1 0 266.429 2.661 20 70 CFIDRO CCSCC[C@@H](C)[NH2+]C[C@@H](O)COc1cccc(C)c1 ZINC000160140002 322333436 /nfs/dbraw/zinc/33/34/36/322333436.db2.gz QRBJPPJTHHBHJW-HUUCEWRRSA-N 1 0 297.464 2.856 20 70 CFIDRO C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+][C@@H](C)C1CC1 ZINC000160141151 322333680 /nfs/dbraw/zinc/33/36/80/322333680.db2.gz IEQGZLCQQHKGOQ-STQMWFEESA-N 1 0 260.381 2.816 20 70 CFIDRO CC(C)[C@H](C)[NH2+][C@H]1CCCN(c2ccccc2F)C1=O ZINC000160179001 322334059 /nfs/dbraw/zinc/33/40/59/322334059.db2.gz CPABOYNPVYGCJB-JSGCOSHPSA-N 1 0 278.371 2.955 20 70 CFIDRO CCSCC[C@@H](C)NC(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000160208564 322334699 /nfs/dbraw/zinc/33/46/99/322334699.db2.gz WDXYFKKIUWLOSN-IUODEOHRSA-N 1 0 292.448 2.521 20 70 CFIDRO CC(C)(C)c1n[nH]cc1C[NH2+][C@H]1CCOC(C)(C)C1 ZINC000160555716 322339531 /nfs/dbraw/zinc/33/95/31/322339531.db2.gz TZEUEFUHBJGBGM-LBPRGKRZSA-N 1 0 265.401 2.754 20 70 CFIDRO COC[C@H]([NH2+]CC(C)(C)O)c1cccc(C(F)(F)F)c1 ZINC000160628121 322340620 /nfs/dbraw/zinc/34/06/20/322340620.db2.gz NKCFYZZTKQRJRR-LBPRGKRZSA-N 1 0 291.313 2.753 20 70 CFIDRO CCCC1(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC000160747500 322342271 /nfs/dbraw/zinc/34/22/71/322342271.db2.gz FLODLYKLJLQHKW-ZDUSSCGKSA-N 1 0 252.402 2.557 20 70 CFIDRO CC(C)CC[NH+](CCC(C)C)Cc1nncn1C ZINC000160762014 322342492 /nfs/dbraw/zinc/34/24/92/322342492.db2.gz ZTNAQYOALZSFMN-UHFFFAOYSA-N 1 0 252.406 2.709 20 70 CFIDRO CCC[N@H+](Cc1nncn1C)[C@@H]1CCc2ccccc2C1 ZINC000160842153 322344031 /nfs/dbraw/zinc/34/40/31/322344031.db2.gz HBRKTUSZRAYMOP-MRXNPFEDSA-N 1 0 284.407 2.585 20 70 CFIDRO CC[C@@H]1CCCCN1C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160886772 322344645 /nfs/dbraw/zinc/34/46/45/322344645.db2.gz XRQIJSDXZCEYMI-LSDHHAIUSA-N 1 0 293.455 2.977 20 70 CFIDRO C[C@H]([NH2+]C[C@H]1CCc2ccccc21)c1cnccn1 ZINC000160973165 322345375 /nfs/dbraw/zinc/34/53/75/322345375.db2.gz WGKSUKLEADHCLC-GXTWGEPZSA-N 1 0 253.349 2.857 20 70 CFIDRO CC[C@@H]1CCCN(C(C)(C)C[NH2+][C@@H](C)CCOC)C1 ZINC000161022353 322346123 /nfs/dbraw/zinc/34/61/23/322346123.db2.gz ILDMLWFCFJSSPS-LSDHHAIUSA-N 1 0 270.461 2.902 20 70 CFIDRO CCN(CC1CC1)C(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000161029093 322346525 /nfs/dbraw/zinc/34/65/25/322346525.db2.gz HPTSLTHSYGQCQJ-MRXNPFEDSA-N 1 0 295.471 2.938 20 70 CFIDRO CC(C)[NH2+]CCC(=O)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000161245344 322349348 /nfs/dbraw/zinc/34/93/48/322349348.db2.gz SGMCAOYZKNDUMN-HIFRSBDPSA-N 1 0 292.398 2.918 20 70 CFIDRO CCCC[NH+]1CCC(NC(=O)N2CC[C@H](C)[C@H](C)C2)CC1 ZINC000161425893 322351204 /nfs/dbraw/zinc/35/12/04/322351204.db2.gz DHXCUSMCTRFCEE-LSDHHAIUSA-N 1 0 295.471 2.938 20 70 CFIDRO CCCCSCCC(=O)NCC[NH+]1CCC(C)CC1 ZINC000159876644 520950299 /nfs/dbraw/zinc/95/02/99/520950299.db2.gz ACBZPXSALSHERS-UHFFFAOYSA-N 1 0 286.485 2.758 20 70 CFIDRO CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)CCCCCC[NH3+] ZINC000159665900 518949747 /nfs/dbraw/zinc/94/97/47/518949747.db2.gz LUOFDYQWSZKDIL-GDBMZVCRSA-N 1 0 298.471 2.853 20 70 CFIDRO CC(C)C(=O)N[C@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC000160126859 519514834 /nfs/dbraw/zinc/51/48/34/519514834.db2.gz AMRRWVZKOQHBEH-HNNXBMFYSA-N 1 0 266.429 2.803 20 70 CFIDRO CC(C)[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000160686851 519788871 /nfs/dbraw/zinc/78/88/71/519788871.db2.gz IWFUJUDHYPZWRU-IXDOHACOSA-N 1 0 286.419 2.779 20 70 CFIDRO CCC[N@@H+]1CCCN(C(=O)[C@@H](C)c2cccs2)CC1 ZINC000159930168 519850392 /nfs/dbraw/zinc/85/03/92/519850392.db2.gz OZNZFQVCWYJSGS-ZDUSSCGKSA-N 1 0 280.437 2.796 20 70 CFIDRO CCCC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000161485586 519870646 /nfs/dbraw/zinc/87/06/46/519870646.db2.gz LSKPJZRQHXIADX-UHFFFAOYSA-N 1 0 266.429 2.946 20 70 CFIDRO CCCCCNC(=O)N1CCC([N@@H+]2CCC[C@@H]2C)CC1 ZINC000161156449 520199805 /nfs/dbraw/zinc/19/98/05/520199805.db2.gz ANUVDVDUZLHGSN-AWEZNQCLSA-N 1 0 281.444 2.835 20 70 CFIDRO CCCCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCOC2)C1(C)C ZINC000159793817 520830925 /nfs/dbraw/zinc/83/09/25/520830925.db2.gz FULHTCXHWQRVPG-HZSPNIEDSA-N 1 0 255.402 2.739 20 70 CFIDRO CCN1CCCC[C@@H]1C[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000161206224 521597430 /nfs/dbraw/zinc/59/74/30/521597430.db2.gz CBXYCKBNEAJNNR-GOEBONIOSA-N 1 0 278.444 2.989 20 70 CFIDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2c1nc(C(C)(C)C)ns1 ZINC000159883805 521722737 /nfs/dbraw/zinc/72/27/37/521722737.db2.gz GPICYCUGNNRCJM-NEPJUHHUSA-N 1 0 294.468 2.899 20 70 CFIDRO CC[C@@H](COC)[NH2+]CCCCc1nc(C)cs1 ZINC000160706786 522592003 /nfs/dbraw/zinc/59/20/03/522592003.db2.gz DNNMNHKPUUHTGF-LBPRGKRZSA-N 1 0 256.415 2.789 20 70 CFIDRO CC[C@H]([NH2+]CC(=O)NC(C)C)c1cc(Cl)ccc1OC ZINC000160923049 522565958 /nfs/dbraw/zinc/56/59/58/522565958.db2.gz ROAKDUHFJZURGI-ZDUSSCGKSA-N 1 0 298.814 2.914 20 70 CFIDRO COC[C@H]([NH2+]C[C@@H](C)N(C)Cc1ccccc1)C(C)C ZINC000160882278 522738166 /nfs/dbraw/zinc/73/81/66/522738166.db2.gz QJSAVUFUPCJMRU-WBVHZDCISA-N 1 0 278.440 2.768 20 70 CFIDRO C[N@H+](CCNCc1cccc2c1NCC2)C1CCCC1 ZINC000159415069 522866029 /nfs/dbraw/zinc/86/60/29/522866029.db2.gz ZLCDHPJAMQOOOI-UHFFFAOYSA-N 1 0 273.424 2.619 20 70 CFIDRO COc1cc([C@@H](C)[NH2+][C@@H](CCO)C(C)C)ccc1F ZINC000218261791 522907850 /nfs/dbraw/zinc/90/78/50/522907850.db2.gz XHQHLKNLJMAONQ-RISCZKNCSA-N 1 0 269.360 2.892 20 70 CFIDRO CC[C@H](C)C[NH2+]Cc1cncc(Br)c1 ZINC000160574974 523884600 /nfs/dbraw/zinc/88/46/00/523884600.db2.gz JXWDLMDKSIEIAV-VIFPVBQESA-N 1 0 257.175 2.980 20 70 CFIDRO COc1ccc(C[C@H](C)[NH2+]CC2(CO)CCCC2)cc1 ZINC000160116680 524152991 /nfs/dbraw/zinc/15/29/91/524152991.db2.gz DUPWTLBLUHOVKJ-AWEZNQCLSA-N 1 0 277.408 2.769 20 70 CFIDRO C[C@H](C[NH2+][C@@H](C)C1CCOCC1)N(C)Cc1ccccc1 ZINC000160897641 524492847 /nfs/dbraw/zinc/49/28/47/524492847.db2.gz ZIXBUTVWHRCOLC-CVEARBPZSA-N 1 0 290.451 2.912 20 70 CFIDRO Cc1ccc(CNc2cccc(OCC[NH+](C)C)c2)cn1 ZINC000159566474 524619159 /nfs/dbraw/zinc/61/91/59/524619159.db2.gz LYAVYCUESGMVCU-UHFFFAOYSA-N 1 0 285.391 2.943 20 70 CFIDRO C[C@H]1C[N@H+](Cc2ccc(OC(F)(F)F)cc2)CC[C@@H]1O ZINC000159438572 524619840 /nfs/dbraw/zinc/61/98/40/524619840.db2.gz GQQWCNQBVWKMLG-GWCFXTLKSA-N 1 0 289.297 2.788 20 70 CFIDRO C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000159445911 524692918 /nfs/dbraw/zinc/69/29/18/524692918.db2.gz HPGXZKHFFMBUMQ-DOMZBBRYSA-N 1 0 294.826 2.872 20 70 CFIDRO Cc1cccc([C@H](C)[NH2+]C[C@H](O)COCC(C)C)c1 ZINC000160251513 524875677 /nfs/dbraw/zinc/87/56/77/524875677.db2.gz RCSTXPNXPMEGDC-HOCLYGCPSA-N 1 0 265.397 2.679 20 70 CFIDRO Cc1cc(Cl)ccc1C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000161332917 524880647 /nfs/dbraw/zinc/88/06/47/524880647.db2.gz MDKXYMDIGQEYPV-AWEZNQCLSA-N 1 0 292.810 2.959 20 70 CFIDRO CSCCCCC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000159898118 525401989 /nfs/dbraw/zinc/40/19/89/525401989.db2.gz YXMGIMPNTJCHCT-CYBMUJFWSA-N 1 0 272.458 2.510 20 70 CFIDRO C[C@@H]([NH2+]Cc1cc(F)cc(Cl)c1)C(=O)N1CCCCC1 ZINC000160902411 525514486 /nfs/dbraw/zinc/51/44/86/525514486.db2.gz SEUCZSFGCWGXHL-LLVKDONJSA-N 1 0 298.789 2.970 20 70 CFIDRO CSC[C@H](CCO)[NH2+][C@H]1c2ccccc2C[C@H]1C ZINC000160236338 525701487 /nfs/dbraw/zinc/70/14/87/525701487.db2.gz BYYRBPVKTXEXHP-OSAQELSMSA-N 1 0 265.422 2.624 20 70 CFIDRO COc1cccc(CCC[NH+]2CCN(CC(F)F)CC2)c1 ZINC000159842512 525885230 /nfs/dbraw/zinc/88/52/30/525885230.db2.gz NQGHGWRLYRHHKL-UHFFFAOYSA-N 1 0 298.377 2.511 20 70 CFIDRO Cc1ccsc1[C@H]1C[C@@H]1C(=O)N1CC[NH+](C(C)C)CC1 ZINC000161111220 525892084 /nfs/dbraw/zinc/89/20/84/525892084.db2.gz MVDISTYJVZIEDS-KBPBESRZSA-N 1 0 292.448 2.713 20 70 CFIDRO Cc1ccc([C@H]2COCCN2CCC[NH+]2CCCCC2)o1 ZINC000161149371 526028770 /nfs/dbraw/zinc/02/87/70/526028770.db2.gz NKOBEYVCZMXMST-MRXNPFEDSA-N 1 0 292.423 2.837 20 70 CFIDRO C[C@H](CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000160104537 526234567 /nfs/dbraw/zinc/23/45/67/526234567.db2.gz QYJRQJPFYKSHML-BMFZPTHFSA-N 1 0 272.392 2.533 20 70 CFIDRO c1nc2ccccn2c1CN1CCC[C@H]1C[NH+]1CCCCC1 ZINC000159668075 526609048 /nfs/dbraw/zinc/60/90/48/526609048.db2.gz NTROIUBAMMZITE-INIZCTEOSA-N 1 0 298.434 2.785 20 70 CFIDRO Cc1nc(CN2CC[NH+](CCC3CCCC3)CC2)oc1C ZINC000160490316 526863853 /nfs/dbraw/zinc/86/38/53/526863853.db2.gz DSHNEWFFBJXHQX-UHFFFAOYSA-N 1 0 291.439 2.989 20 70 CFIDRO [NH3+][C@H](CC(=O)N[C@@H]1C[C@@H]1c1ccccc1)c1ccccc1 ZINC000217771689 527384170 /nfs/dbraw/zinc/38/41/70/527384170.db2.gz LTWCAHXTYCCMJK-BRWVUGGUSA-N 1 0 280.371 2.749 20 70 CFIDRO CCCC1(CNC(=O)N(CC[NH+](C)C)C(C)C)CC1 ZINC000159656832 528046518 /nfs/dbraw/zinc/04/65/18/528046518.db2.gz OOMXTILOPJLRML-UHFFFAOYSA-N 1 0 269.433 2.548 20 70 CFIDRO CCOCCC1(C(=O)NC2CC[NH+](C(C)C)CC2)CCC1 ZINC000160689451 528601805 /nfs/dbraw/zinc/60/18/05/528601805.db2.gz BGNWVZCLQNHYSZ-UHFFFAOYSA-N 1 0 296.455 2.572 20 70 CFIDRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(=O)n2ccccc2n1 ZINC000160356263 528652505 /nfs/dbraw/zinc/65/25/05/528652505.db2.gz IMRPBCLVHXSQDE-HOTGVXAUSA-N 1 0 299.418 2.999 20 70 CFIDRO CC(C)[N@H+](CCc1nccs1)C[C@@H]1CCCCO1 ZINC000159787644 528917017 /nfs/dbraw/zinc/91/70/17/528917017.db2.gz SBULKHSFMJGETL-ZDUSSCGKSA-N 1 0 268.426 2.965 20 70 CFIDRO CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)C[NH+](C)C ZINC000159482563 529424358 /nfs/dbraw/zinc/42/43/58/529424358.db2.gz DTHYBSAPJMONIM-MRXNPFEDSA-N 1 0 276.424 2.726 20 70 CFIDRO Cc1nn(C)cc1C[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000160144254 282296945 /nfs/dbraw/zinc/29/69/45/282296945.db2.gz OLYNUMCWBBLJFC-HNNXBMFYSA-N 1 0 259.328 2.645 20 70 CFIDRO CCC1(C(=O)NCC2([NH3+])CCCCC2)CCCC1 ZINC000159646696 282331039 /nfs/dbraw/zinc/33/10/39/282331039.db2.gz JYZAGRNFNCOQFG-UHFFFAOYSA-N 1 0 252.402 2.735 20 70 CFIDRO c1csc([C@@H]2CCC[N@@H+](CCOCC3CC3)C2)n1 ZINC000160000924 232246532 /nfs/dbraw/zinc/24/65/32/232246532.db2.gz KQHSDJPAFFFBSD-CYBMUJFWSA-N 1 0 266.410 2.749 20 70 CFIDRO C[C@@H](O)C(C)(C)[NH2+]Cc1ccc(Br)cc1 ZINC000160625807 232249194 /nfs/dbraw/zinc/24/91/94/232249194.db2.gz JIWPVUVXPYRPBH-SECBINFHSA-N 1 0 272.186 2.698 20 70 CFIDRO CC(C)[NH2+]CCC(=O)N[C@@H]1CCC[C@H]1c1ccccc1 ZINC000159718142 348014160 /nfs/dbraw/zinc/01/41/60/348014160.db2.gz PDCSQWHNDWLGFK-JKSUJKDBSA-N 1 0 274.408 2.827 20 70 CFIDRO CCSCc1ccc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000160854680 348021549 /nfs/dbraw/zinc/02/15/49/348021549.db2.gz NNCGBVWHQGCAIO-CABCVRRESA-N 1 0 292.448 2.939 20 70 CFIDRO Cc1cccc([C@@H](C)NC(=O)CC[NH2+]C(C)C)c1C ZINC000160834372 348021552 /nfs/dbraw/zinc/02/15/52/348021552.db2.gz DMTDRORYTZXFMO-CQSZACIVSA-N 1 0 262.397 2.869 20 70 CFIDRO C[C@@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000160816788 348021558 /nfs/dbraw/zinc/02/15/58/348021558.db2.gz KJBSOBCDEMEOOS-CABCVRRESA-N 1 0 293.455 2.835 20 70 CFIDRO C[C@@H]1C[C@@H](C)CN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000160887272 348022194 /nfs/dbraw/zinc/02/21/94/348022194.db2.gz HQEFDRKEVWRYBG-RBSFLKMASA-N 1 0 293.455 2.691 20 70 CFIDRO CC(C)[NH2+]CCC(=O)N[C@H](Cc1ccccc1)C1CC1 ZINC000161259038 348023829 /nfs/dbraw/zinc/02/38/29/348023829.db2.gz GLOHKJMPFNJLMQ-MRXNPFEDSA-N 1 0 274.408 2.512 20 70 CFIDRO CC[C@@H](NC(=O)[C@@H]1CC[C@H]([NH3+])C1)C(C)(C)c1ccccc1 ZINC000160760975 188489364 /nfs/dbraw/zinc/48/93/64/188489364.db2.gz SMWVATUGSWCXSS-VNQPRFMTSA-N 1 0 288.435 2.986 20 70 CFIDRO O=C(C1CC[NH2+]CC1)N(Cc1ccc(F)cc1)CC1CC1 ZINC000160909789 188497507 /nfs/dbraw/zinc/49/75/07/188497507.db2.gz SNQMHWYVWMFTKL-UHFFFAOYSA-N 1 0 290.382 2.564 20 70 CFIDRO CCC(CC)(C[NH3+])C(=O)Nc1nnc(C(C)(C)C)s1 ZINC000161171178 188513175 /nfs/dbraw/zinc/51/31/75/188513175.db2.gz QLZLSIDFEUTQGS-UHFFFAOYSA-N 1 0 284.429 2.539 20 70 CFIDRO C[C@@H](O)C(C)(C)[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000161123069 188509710 /nfs/dbraw/zinc/50/97/10/188509710.db2.gz SPJPOLHQKQJAMP-LLVKDONJSA-N 1 0 263.381 2.649 20 70 CFIDRO CC[NH2+]CCNCc1ccc(Br)cc1Cl ZINC000161317066 188521287 /nfs/dbraw/zinc/52/12/87/188521287.db2.gz RSNSKQSJGYXLMD-UHFFFAOYSA-N 1 0 291.620 2.802 20 70 CFIDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H](C)CC(C)C)c1 ZINC000161438044 188527826 /nfs/dbraw/zinc/52/78/26/188527826.db2.gz UGVMJGPDWCEEQR-CHWSQXEVSA-N 1 0 298.452 2.680 20 70 CFIDRO CC(C)[NH2+]CCC(=O)NC1(c2ccccc2)CCCC1 ZINC000160049220 540667409 /nfs/dbraw/zinc/66/74/09/540667409.db2.gz NUOIWVWEZWMIOJ-UHFFFAOYSA-N 1 0 274.408 2.960 20 70 CFIDRO CCCn1nccc1C[NH2+]Cc1ccc(F)c(F)c1 ZINC000160120882 540668694 /nfs/dbraw/zinc/66/86/94/540668694.db2.gz BFJMPMQSXKCNER-UHFFFAOYSA-N 1 0 265.307 2.861 20 70 CFIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)CCCc2ccc(F)c(F)c2)C1 ZINC000160791570 540680154 /nfs/dbraw/zinc/68/01/54/540680154.db2.gz BTQGUZVQSBEUKS-OLZOCXBDSA-N 1 0 296.361 2.674 20 70 CFIDRO COc1ccc([C@H](C)CC(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000161023182 540686828 /nfs/dbraw/zinc/68/68/28/540686828.db2.gz FNSIVWUVDSIBCG-SNPRPXQTSA-N 1 0 290.407 2.575 20 70 CFIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)CCSc2ccc(F)cc2)C1 ZINC000161373025 540692265 /nfs/dbraw/zinc/69/22/65/540692265.db2.gz LRPLQMSBCAHJRN-QWHCGFSZSA-N 1 0 296.411 2.694 20 70 CFIDRO Cc1ccc2cccc(C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)c2n1 ZINC000161409301 540692684 /nfs/dbraw/zinc/69/26/84/540692684.db2.gz XSDRWSABHOGIKE-KGLIPLIRSA-N 1 0 283.375 2.543 20 70 CFIDRO Cc1nc(-c2ccco2)ccc1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000161208609 540691164 /nfs/dbraw/zinc/69/11/64/540691164.db2.gz FOMGANHMLDAMEF-CHWSQXEVSA-N 1 0 299.374 2.650 20 70 CFIDRO C[C@@H](c1ccc(F)cc1F)[N@H+](C)C[C@H](O)C1CC1 ZINC000160868304 541487533 /nfs/dbraw/zinc/48/75/33/541487533.db2.gz FSTUZWGBKGMRJY-XPTSAGLGSA-N 1 0 255.308 2.729 20 70 CFIDRO CCCC[C@@H]([NH2+]C1CC=CC1)C(=O)Nc1cc(C)on1 ZINC000160893556 541491971 /nfs/dbraw/zinc/49/19/71/541491971.db2.gz YZPZQUCNXQIDOW-CYBMUJFWSA-N 1 0 277.368 2.789 20 70 CFIDRO C[C@H](CC(=O)Nc1cc(C[NH+](C)C)ccn1)c1ccncc1 ZINC000161255252 541572100 /nfs/dbraw/zinc/57/21/00/541572100.db2.gz CKJSBIPWQXJUQN-CYBMUJFWSA-N 1 0 298.390 2.671 20 70 CFIDRO CS(=O)(=O)CCCC[N@@H+]1CCC[C@H]1C1CCCCC1 ZINC000161500746 541657172 /nfs/dbraw/zinc/65/71/72/541657172.db2.gz LNWCFLVEODSKMN-HNNXBMFYSA-N 1 0 287.469 2.856 20 70 CFIDRO CC[C@H]([NH3+])C(=O)N1CCCC[C@H]1c1ccc(C)cc1 ZINC000159913190 378736721 /nfs/dbraw/zinc/73/67/21/378736721.db2.gz HEQHISUMHPVZHC-GJZGRUSLSA-N 1 0 260.381 2.786 20 70 CFIDRO COCC[C@H](C)[NH2+]C1CCN([C@H](C)c2ccncc2)CC1 ZINC000159903109 378737741 /nfs/dbraw/zinc/73/77/41/378737741.db2.gz OSJISHVFXFYKFC-LSDHHAIUSA-N 1 0 291.439 2.622 20 70 CFIDRO CCc1ccc([C@@H](C)CC(=O)NCC(C)(C)[NH3+])cc1 ZINC000159969212 378740013 /nfs/dbraw/zinc/74/00/13/378740013.db2.gz QIBUNXNZKNQSNP-LBPRGKRZSA-N 1 0 262.397 2.596 20 70 CFIDRO CC(C)CSCCC[NH2+][C@H](C(N)=O)c1ccc(F)cc1 ZINC000160012578 378744085 /nfs/dbraw/zinc/74/40/85/378744085.db2.gz OECSPLWSKIOVQQ-AWEZNQCLSA-N 1 0 298.427 2.721 20 70 CFIDRO C[N@H+](CCc1cccc(OC(F)(F)F)c1)[C@H]1CCOC1 ZINC000160068321 378747318 /nfs/dbraw/zinc/74/73/18/378747318.db2.gz OFMFOKIBAWQRQS-LBPRGKRZSA-N 1 0 289.297 2.848 20 70 CFIDRO C[C@@]1(c2ccccc2)CCCN(C(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000160105420 378749098 /nfs/dbraw/zinc/74/90/98/378749098.db2.gz GASXAMSDLHFEPT-MAUKXSAKSA-N 1 0 286.419 2.566 20 70 CFIDRO CC[N@H+](C)CCNC(=O)CC/C=C/c1ccccc1 ZINC000160144951 378752052 /nfs/dbraw/zinc/75/20/52/378752052.db2.gz AWALHLBUUDHYIS-YRNVUSSQSA-N 1 0 260.381 2.548 20 70 CFIDRO C[C@H](CO)[C@H](C)[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000160152756 378752398 /nfs/dbraw/zinc/75/23/98/378752398.db2.gz UDKOZOWXOUNNBR-BDAKNGLRSA-N 1 0 279.277 2.951 20 70 CFIDRO CC[N@H+](CCc1nccs1)Cc1ccc(C(=O)OC)o1 ZINC000159392668 378706506 /nfs/dbraw/zinc/70/65/06/378706506.db2.gz LGBJZTPMURXLTL-UHFFFAOYSA-N 1 0 294.376 2.587 20 70 CFIDRO COc1cccc(CCCN2CC[NH+](CC3CC3)CC2)c1 ZINC000159404658 378706810 /nfs/dbraw/zinc/70/68/10/378706810.db2.gz SMUINXDPZKDKNP-UHFFFAOYSA-N 1 0 288.435 2.655 20 70 CFIDRO [NH3+][C@@H]1CCN(C(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)C1 ZINC000160199053 378755442 /nfs/dbraw/zinc/75/54/42/378755442.db2.gz NBLJXZHRQCQUGC-AGIUHOORSA-N 1 0 299.201 2.657 20 70 CFIDRO COc1ccc2c(c1)C[C@H]([NH2+][C@H](C)[C@H]1CCOC1)CC2 ZINC000159564076 378716624 /nfs/dbraw/zinc/71/66/24/378716624.db2.gz XUSMWTUEUQXMME-IVMMDQJWSA-N 1 0 275.392 2.567 20 70 CFIDRO C[C@H](NC(=O)[C@H]1CCCC[NH2+]1)c1ccc(F)cc1Cl ZINC000159625132 378721590 /nfs/dbraw/zinc/72/15/90/378721590.db2.gz NMPKIBMDSWIUBV-TVQRCGJNSA-N 1 0 284.762 2.798 20 70 CFIDRO O=C(CNc1ccccc1)NCC[NH2+]C1CCCCCC1 ZINC000159665865 378723077 /nfs/dbraw/zinc/72/30/77/378723077.db2.gz BBUVYJGMCCCSRJ-UHFFFAOYSA-N 1 0 289.423 2.527 20 70 CFIDRO CCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000159721537 378726045 /nfs/dbraw/zinc/72/60/45/378726045.db2.gz MFVHNVDHLDAEBG-QLFBSQMISA-N 1 0 260.381 2.566 20 70 CFIDRO CC[C@@H](NC(=O)[C@@H]([NH3+])CC(C)C)c1ccc(F)cc1F ZINC000159725642 378727810 /nfs/dbraw/zinc/72/78/10/378727810.db2.gz MHNYCZODKZJVOI-UONOGXRCSA-N 1 0 284.350 2.906 20 70 CFIDRO C[NH2+]CC(=O)N1CCC[C@@H](C)[C@H]1c1ccc(C)cc1 ZINC000159780535 378730345 /nfs/dbraw/zinc/73/03/45/378730345.db2.gz HSQZOOOXOMQNBE-CJNGLKHVSA-N 1 0 260.381 2.514 20 70 CFIDRO CC(C)[C@H](CC1CCCCC1)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000160275500 378761186 /nfs/dbraw/zinc/76/11/86/378761186.db2.gz QBJXBBGCNAQUSM-CABCVRRESA-N 1 0 266.429 2.789 20 70 CFIDRO C[C@@H](C(=O)N1CC[C@@H]([NH3+])C1)c1ccc2ccccc2c1 ZINC000160310044 378762594 /nfs/dbraw/zinc/76/25/94/378762594.db2.gz CNSNUUXOKOFJOB-MLGOLLRUSA-N 1 0 268.360 2.503 20 70 CFIDRO CC[N@H+](C)Cc1cccc(CNC(=O)NC2(C)CCC2)c1 ZINC000160312571 378763725 /nfs/dbraw/zinc/76/37/25/378763725.db2.gz XRTIVOOERHYFSH-UHFFFAOYSA-N 1 0 289.423 2.880 20 70 CFIDRO C[C@H](CNc1nnc(C(F)(F)F)s1)C[NH+]1CCCC1 ZINC000160332018 378763930 /nfs/dbraw/zinc/76/39/30/378763930.db2.gz SORFAZIEQAHALE-MRVPVSSYSA-N 1 0 294.346 2.701 20 70 CFIDRO CCC([NH3+])(CC)CNC(=O)c1sccc1SC ZINC000160420885 378770099 /nfs/dbraw/zinc/77/00/99/378770099.db2.gz WEAUXKDWJCBIRD-UHFFFAOYSA-N 1 0 272.439 2.717 20 70 CFIDRO CCc1nnc(CN[C@H](C)c2cccc(C)c2C)[nH]1 ZINC000160444025 378772326 /nfs/dbraw/zinc/77/23/26/378772326.db2.gz QSIASXUVBGWHMH-GFCCVEGCSA-N 1 0 258.369 2.835 20 70 CFIDRO CCC([NH3+])(CC)CNC(=O)CCCOc1ccc(F)cc1 ZINC000160451789 378774382 /nfs/dbraw/zinc/77/43/82/378774382.db2.gz UBTQHHLUTKPOJR-UHFFFAOYSA-N 1 0 296.386 2.618 20 70 CFIDRO C[C@@H](NC(=O)C[C@H]1CCC[NH2+]1)c1ncc(-c2ccccc2)o1 ZINC000160480212 378776201 /nfs/dbraw/zinc/77/62/01/378776201.db2.gz SKNUYPIKLTUTER-TZMCWYRMSA-N 1 0 299.374 2.661 20 70 CFIDRO CCN(Cc1cc(C)c(C)cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000160530996 378778747 /nfs/dbraw/zinc/77/87/47/378778747.db2.gz UXVIWXIWJOZSMU-INIZCTEOSA-N 1 0 295.448 2.621 20 70 CFIDRO CCCN(CC[NH+](CC)CC)C(=O)Nc1nccs1 ZINC000160537559 378779242 /nfs/dbraw/zinc/77/92/42/378779242.db2.gz AWIDLIPFXOCBNF-UHFFFAOYSA-N 1 0 284.429 2.729 20 70 CFIDRO CCCN(CC[NH+](CC)CC)C(=O)Nc1cccnc1 ZINC000160533631 378779601 /nfs/dbraw/zinc/77/96/01/378779601.db2.gz ZACQGVPPSUUJEM-UHFFFAOYSA-N 1 0 278.400 2.667 20 70 CFIDRO CCc1nnc(C[NH2+][C@@H](Cc2ccc(F)cc2)C(C)C)[nH]1 ZINC000160636611 378787456 /nfs/dbraw/zinc/78/74/56/378787456.db2.gz WBSMBLMPEKDVBH-AWEZNQCLSA-N 1 0 290.386 2.863 20 70 CFIDRO CC[C@@H](NC(=O)[C@@H](C)C[NH2+]C)C(C)(C)c1ccccc1 ZINC000160761745 378796783 /nfs/dbraw/zinc/79/67/83/378796783.db2.gz RMQBGGOHFOTUPD-DZGCQCFKSA-N 1 0 276.424 2.715 20 70 CFIDRO Cc1cncc(N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000160233671 378758420 /nfs/dbraw/zinc/75/84/20/378758420.db2.gz DETSYUYOSOHCQJ-BBRMVZONSA-N 1 0 282.391 2.717 20 70 CFIDRO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CC)c1c(C)noc1C ZINC000160255358 378759047 /nfs/dbraw/zinc/75/90/47/378759047.db2.gz YOQRQRDELSJPGS-KBPBESRZSA-N 1 0 293.411 2.733 20 70 CFIDRO C[C@@H]([NH2+]CCOc1cccc(Cl)c1)c1cnccn1 ZINC000160253207 378759501 /nfs/dbraw/zinc/75/95/01/378759501.db2.gz VWJFDULFBTTYBZ-LLVKDONJSA-N 1 0 277.755 2.860 20 70 CFIDRO CC1(O)CC[NH+](CCC(=O)Nc2cccc(Cl)c2)CC1 ZINC000161190936 378829283 /nfs/dbraw/zinc/82/92/83/378829283.db2.gz VKUPRVLXLAKQBY-UHFFFAOYSA-N 1 0 296.798 2.515 20 70 CFIDRO CCC[N@H+](CCO)Cc1cc(OC)c(OC)cc1SC ZINC000161197084 378829730 /nfs/dbraw/zinc/82/97/30/378829730.db2.gz VWFJWKIYHRORPC-UHFFFAOYSA-N 1 0 299.436 2.630 20 70 CFIDRO COc1ccccc1CC[NH2+]C1CCC2(CC1)OCCO2 ZINC000161223454 378830536 /nfs/dbraw/zinc/83/05/36/378830536.db2.gz YUMXXNMHLHGBCW-UHFFFAOYSA-N 1 0 291.391 2.513 20 70 CFIDRO Cc1ccc(C(=O)CC[N@H+](C)CCCn2ccnc2)cc1 ZINC000161209159 378830928 /nfs/dbraw/zinc/83/09/28/378830928.db2.gz CMDKCNCLFKUOJP-UHFFFAOYSA-N 1 0 285.391 2.786 20 70 CFIDRO CCC[N@H+](CCO)Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000161220289 378831491 /nfs/dbraw/zinc/83/14/91/378831491.db2.gz AOPUNDDEZIILHG-UHFFFAOYSA-N 1 0 293.798 2.934 20 70 CFIDRO Cc1cc(C)cc(OCC[NH2+][C@@H](C)c2cnccn2)c1 ZINC000161246720 378832404 /nfs/dbraw/zinc/83/24/04/378832404.db2.gz NWMMVKNCPMINFN-AWEZNQCLSA-N 1 0 271.364 2.823 20 70 CFIDRO CCC(CC)(C[NH3+])C(=O)N1CCS[C@@H]2CCCC[C@@H]21 ZINC000161247575 378832593 /nfs/dbraw/zinc/83/25/93/378832593.db2.gz UZVHXIYIULGJKU-QWHCGFSZSA-N 1 0 284.469 2.638 20 70 CFIDRO C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000161247028 378832653 /nfs/dbraw/zinc/83/26/53/378832653.db2.gz XWJQFLWSUAWEDV-BPLDGKMQSA-N 1 0 290.382 2.530 20 70 CFIDRO CC1(O)CC[NH+](CCC(=O)Nc2ccccc2Cl)CC1 ZINC000161227433 378832661 /nfs/dbraw/zinc/83/26/61/378832661.db2.gz XROXYEUOWIAPSV-UHFFFAOYSA-N 1 0 296.798 2.515 20 70 CFIDRO COC(C)(C)C[C@@H](C)NC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000160966447 378811415 /nfs/dbraw/zinc/81/14/15/378811415.db2.gz KPFSLHDREJERLQ-IPYPFGDCSA-N 1 0 292.423 2.642 20 70 CFIDRO CC(C)c1ccc(C(=O)NC2CC[NH+](C(C)C)CC2)cn1 ZINC000161074227 378819196 /nfs/dbraw/zinc/81/91/96/378819196.db2.gz PQDHYSAHHHKMGT-UHFFFAOYSA-N 1 0 289.423 2.808 20 70 CFIDRO C[C@@H](CO)[N@H+](C)Cc1ccc(Br)cc1Cl ZINC000161066845 378819552 /nfs/dbraw/zinc/81/95/52/378819552.db2.gz PORHTUFLTJGNSK-QMMMGPOBSA-N 1 0 292.604 2.915 20 70 CFIDRO [NH3+]CCCC(=O)Nc1cc(C2CCCCCC2)[nH]n1 ZINC000161072289 378819769 /nfs/dbraw/zinc/81/97/69/378819769.db2.gz QYWKYPTYXXFPON-UHFFFAOYSA-N 1 0 264.373 2.525 20 70 CFIDRO COc1ccc(COCCC[NH2+][C@H](C)[C@H]2CCOC2)cc1 ZINC000161069049 378820110 /nfs/dbraw/zinc/82/01/10/378820110.db2.gz JFMRVVNNKHUJKG-ZBFHGGJFSA-N 1 0 293.407 2.617 20 70 CFIDRO COC(C[N@H+](C)[C@@H](c1ccccc1)C(C)C)OC ZINC000161087706 378821029 /nfs/dbraw/zinc/82/10/29/378821029.db2.gz QUOKIJQJXMLNEE-OAHLLOKOSA-N 1 0 251.370 2.934 20 70 CFIDRO Cc1cc[nH+]c(NC[C@H]2CN(Cc3ccccc3)CCO2)c1 ZINC000161098010 378821285 /nfs/dbraw/zinc/82/12/85/378821285.db2.gz YNGCAQCFFQVFNU-KRWDZBQOSA-N 1 0 297.402 2.703 20 70 CFIDRO CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@@H](CC)COC)c1 ZINC000161135814 378824182 /nfs/dbraw/zinc/82/41/82/378824182.db2.gz LIDAHZLXTGUPEB-CJNGLKHVSA-N 1 0 292.423 2.730 20 70 CFIDRO CC[C@H]([NH3+])C(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000161135507 378824678 /nfs/dbraw/zinc/82/46/78/378824678.db2.gz CWVUZDNRHIYOTM-HNNXBMFYSA-N 1 0 276.380 2.822 20 70 CFIDRO Cc1n[nH]cc1C[N@H+](C)CCOc1ccc(Cl)cc1 ZINC000161165362 378828188 /nfs/dbraw/zinc/82/81/88/378828188.db2.gz CFKWWWWZMBAMLF-UHFFFAOYSA-N 1 0 279.771 2.882 20 70 CFIDRO COC(C[N@@H+]1CC[C@@H](C)C[C@H]1c1ccc(C)o1)OC ZINC000161337599 378841598 /nfs/dbraw/zinc/84/15/98/378841598.db2.gz GXQZQALMUJUHOS-YPMHNXCESA-N 1 0 267.369 2.980 20 70 CFIDRO C[C@]1(C(=O)NCCc2cccc3ccccc32)CCC[NH2+]C1 ZINC000161375062 378842853 /nfs/dbraw/zinc/84/28/53/378842853.db2.gz FPSCWUMCNWVBNM-IBGZPJMESA-N 1 0 296.414 2.888 20 70 CFIDRO Cc1nc(Cl)ccc1C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000161491720 378850919 /nfs/dbraw/zinc/85/09/19/378850919.db2.gz IIAWEDPWXUIRFK-NWDGAFQWSA-N 1 0 295.814 2.646 20 70 CFIDRO c1sc(C2CC2)nc1CN1CCCSCC1 ZINC000161487887 378851474 /nfs/dbraw/zinc/85/14/74/378851474.db2.gz GQJJNWDFBUJOQQ-UHFFFAOYSA-N 1 0 254.424 2.959 20 70 CFIDRO CC[C@H]([NH2+]CCOCCO)c1cccc(Cl)c1F ZINC000161507613 378852328 /nfs/dbraw/zinc/85/23/28/378852328.db2.gz HHGJSCUGIPNISF-LBPRGKRZSA-N 1 0 275.751 2.529 20 70 CFIDRO Cc1ccc(-n2nc(C(C)C)cc2NC(=O)[C@@H](C)[NH3+])cc1 ZINC000161295988 378838056 /nfs/dbraw/zinc/83/80/56/378838056.db2.gz BKFFHUDBNRXFRM-GFCCVEGCSA-N 1 0 286.379 2.590 20 70 CFIDRO Cc1nn(C)c(C)c1C[NH2+]Cc1cc(F)cc(F)c1 ZINC000161322867 378839166 /nfs/dbraw/zinc/83/91/66/378839166.db2.gz NYTQRNSHRHTQQY-UHFFFAOYSA-N 1 0 265.307 2.605 20 70 CFIDRO CC[C@H](C)[N@H+](C)CCNCc1c[nH]nc1-c1ccccc1 ZINC000217372129 382786584 /nfs/dbraw/zinc/78/65/84/382786584.db2.gz FXOQNGGYNUQLBH-AWEZNQCLSA-N 1 0 286.423 2.897 20 70 CFIDRO CC(C)[N@H+](C)CCCNc1ccc(C(F)(F)F)nn1 ZINC000217971092 382788398 /nfs/dbraw/zinc/78/83/98/382788398.db2.gz MNXQRYVSPFCSEQ-UHFFFAOYSA-N 1 0 276.306 2.638 20 70 CFIDRO COCc1cccc(N[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000217985170 382788513 /nfs/dbraw/zinc/78/85/13/382788513.db2.gz JNSDSQBYPIUHND-HEHGZKQESA-N 1 0 262.397 2.974 20 70 CFIDRO c1cn(CCCC[NH2+]Cc2cccc3cc[nH]c32)cn1 ZINC000218125034 382789331 /nfs/dbraw/zinc/78/93/31/382789331.db2.gz WYKWVWAKOWAAGC-UHFFFAOYSA-N 1 0 268.364 2.934 20 70 CFIDRO c1cc2c(cccc2CN[C@H]2CC[N@@H+]3CCCC[C@@H]23)[nH]1 ZINC000218109882 382789334 /nfs/dbraw/zinc/78/93/34/382789334.db2.gz PPHKIJKQBNDNEO-IRXDYDNUSA-N 1 0 269.392 2.884 20 70 CFIDRO CC(C)[C@H](C[NH2+]Cc1nccn1C)c1ccccc1 ZINC000218233785 382789918 /nfs/dbraw/zinc/78/99/18/382789918.db2.gz HFDNWKKCJACPKT-HNNXBMFYSA-N 1 0 257.381 2.950 20 70 CFIDRO C[C@H]1CCCC[C@H]1[NH2+]CCS(=O)(=O)c1ccccc1 ZINC000218461193 382790348 /nfs/dbraw/zinc/79/03/48/382790348.db2.gz HKPUMDHSXFAMIP-DZGCQCFKSA-N 1 0 281.421 2.629 20 70 CFIDRO C[NH2+][C@@H]1CCN(C(=O)c2ccccc2SC(C)C)C1 ZINC000160695289 532969106 /nfs/dbraw/zinc/96/91/06/532969106.db2.gz WNUSCFBMDBJITO-GFCCVEGCSA-N 1 0 278.421 2.621 20 70 CFIDRO FC(F)(F)c1nnc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000160343414 394366350 /nfs/dbraw/zinc/36/63/50/394366350.db2.gz WNIAFHPCCMQTBM-YUMQZZPRSA-N 1 0 292.330 2.596 20 70 CFIDRO CC(C)S(=O)(=O)CCC[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000160968266 394366842 /nfs/dbraw/zinc/36/68/42/394366842.db2.gz IIZULWJSHRIUFP-HNNXBMFYSA-N 1 0 287.469 2.854 20 70 CFIDRO c1cn(C2CCN(c3cc[nH+]c4ccccc43)CC2)nn1 ZINC000160201113 275072409 /nfs/dbraw/zinc/07/24/09/275072409.db2.gz BOZZJOPLJOBIBS-UHFFFAOYSA-N 1 0 279.347 2.668 20 70 CFIDRO CC(C)(C)OC(=O)NCC[NH2+][C@@H]1CCc2c1cccc2F ZINC000218156996 275522024 /nfs/dbraw/zinc/52/20/24/275522024.db2.gz QABXYZDJULYICW-CQSZACIVSA-N 1 0 294.370 2.927 20 70 CFIDRO CC(C)n1ccnc1CN1CC[NH+](C2CCCC2)CC1 ZINC000160760329 275787365 /nfs/dbraw/zinc/78/73/65/275787365.db2.gz VEUBZWDKFFZBAJ-UHFFFAOYSA-N 1 0 276.428 2.524 20 70 CFIDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccco2)C[C@@H]1C ZINC000161481155 276287786 /nfs/dbraw/zinc/28/77/86/276287786.db2.gz SOFMJNFLZMULJW-OUCADQQQSA-N 1 0 265.353 2.737 20 70 CFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1csc2c1CC[C@@H](C)C2 ZINC000161329234 277028482 /nfs/dbraw/zinc/02/84/82/277028482.db2.gz OZUOPMRWQZVISI-NEPJUHHUSA-N 1 0 292.448 2.697 20 70 CFIDRO C[C@H]([NH2+]C1CCN(C)CC1)c1ccc(F)cc1N(C)C ZINC000161505620 278253764 /nfs/dbraw/zinc/25/37/64/278253764.db2.gz OXQRBTJCQUDELE-LBPRGKRZSA-N 1 0 279.403 2.637 20 70 CFIDRO Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)[C@H](C)[NH3+])cc1 ZINC000161233960 278862525 /nfs/dbraw/zinc/86/25/25/278862525.db2.gz AURGJYPCEQUJAM-VNHYZAJKSA-N 1 0 260.381 2.642 20 70 CFIDRO O=C1CCCN1CCC[NH2+][C@H]1CCCc2sccc21 ZINC000159547686 280250992 /nfs/dbraw/zinc/25/09/92/280250992.db2.gz ZAQHQBXLOSEFCB-ZDUSSCGKSA-N 1 0 278.421 2.728 20 70 CFIDRO COC[C@H]([NH2+]C[C@H](C)N(C)Cc1ccccc1)C1CC1 ZINC000160898855 293152120 /nfs/dbraw/zinc/15/21/20/293152120.db2.gz XQGMCULYKLEZHR-YOEHRIQHSA-N 1 0 276.424 2.522 20 70 CFIDRO [NH3+]C1(CNC(=O)[C@H]2C[C@H]2C2CCCCC2)CCCCC1 ZINC000159478427 295208695 /nfs/dbraw/zinc/20/86/95/295208695.db2.gz WVDXMJIWDHFRPF-GJZGRUSLSA-N 1 0 278.440 2.981 20 70 CFIDRO C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000161047405 300528483 /nfs/dbraw/zinc/52/84/83/300528483.db2.gz TZOXYRDHWCTASB-JGGQBBKZSA-N 1 0 290.382 2.735 20 70 CFIDRO [NH3+]C1(CNC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)CCCCC1 ZINC000159466746 303359334 /nfs/dbraw/zinc/35/93/34/303359334.db2.gz IQTVMLBTJJKHDK-GJZGRUSLSA-N 1 0 290.382 2.707 20 70 CFIDRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cc2cc(F)ccc2o1 ZINC000159521452 322324025 /nfs/dbraw/zinc/32/40/25/322324025.db2.gz YZCCIGWRBKYGJT-QWRGUYRKSA-N 1 0 290.338 2.658 20 70 CFIDRO CSc1ccc(OCC[N@H+](C)C[C@@H]2CCC[C@@H]2O)cc1 ZINC000159540317 322324032 /nfs/dbraw/zinc/32/40/32/322324032.db2.gz VBQIVEABFXYPEV-BBRMVZONSA-N 1 0 295.448 2.880 20 70 CFIDRO CCOc1ccc(OCC[N@H+](C)C[C@@H]2CCC[C@@H]2O)cc1 ZINC000159567157 322324500 /nfs/dbraw/zinc/32/45/00/322324500.db2.gz ZQHBZXDFQNNFKM-YOEHRIQHSA-N 1 0 293.407 2.557 20 70 CFIDRO Cc1ccc(C)c(OCC[N@@H+](C)C[C@H]2CCC[C@@H]2O)c1 ZINC000159717326 322327303 /nfs/dbraw/zinc/32/73/03/322327303.db2.gz ROHUXMJMKPWTHB-CVEARBPZSA-N 1 0 277.408 2.775 20 70 CFIDRO C[C@H](CNC(=O)NCC1(C2CC2)CC1)[NH+]1CCC(C)CC1 ZINC000159785587 322328234 /nfs/dbraw/zinc/32/82/34/322328234.db2.gz DQYRZUJWSABOQY-CQSZACIVSA-N 1 0 293.455 2.596 20 70 CFIDRO CCC[C@@H]([NH3+])C(=O)NC1(c2ccc(Cl)cc2)CC1 ZINC000159802233 322328592 /nfs/dbraw/zinc/32/85/92/322328592.db2.gz WIMMXEFVHFIKIJ-GFCCVEGCSA-N 1 0 266.772 2.573 20 70 CFIDRO C[NH+](C)[C@H]1CCCN(C(=O)C2CCC(C)(C)CC2)C1 ZINC000159877636 322329426 /nfs/dbraw/zinc/32/94/26/322329426.db2.gz QKKSUQQKGLEPFC-AWEZNQCLSA-N 1 0 266.429 2.755 20 70 CFIDRO CCCC(=O)Nc1cccc(C[NH2+][C@H](C)[C@H]2CCOC2)c1 ZINC000159881448 322329939 /nfs/dbraw/zinc/32/99/39/322329939.db2.gz KMVIRKGRHDDRFQ-HIFRSBDPSA-N 1 0 290.407 2.940 20 70 CFIDRO C[C@@H](CNC(=O)C1CCC(C)(C)CC1)[N@H+](C)C1CC1 ZINC000159917142 322330653 /nfs/dbraw/zinc/33/06/53/322330653.db2.gz CLTDTLDHRIJGAU-LBPRGKRZSA-N 1 0 266.429 2.802 20 70 CFIDRO CCCn1c(C)nnc1CN1CCS[C@H](C(C)C)C1 ZINC000159977601 322330872 /nfs/dbraw/zinc/33/08/72/322330872.db2.gz FTMFQNGYZRGBQB-ZDUSSCGKSA-N 1 0 282.457 2.570 20 70 CFIDRO CC(C)C(=O)NCCC[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000159976246 322330902 /nfs/dbraw/zinc/33/09/02/322330902.db2.gz RRFMWIUQNUHCMA-OAHLLOKOSA-N 1 0 278.371 2.565 20 70 CFIDRO CC(C)C(=O)NCCC[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000159999509 322331412 /nfs/dbraw/zinc/33/14/12/322331412.db2.gz TWEGJKWCEZIMMF-NSHDSACASA-N 1 0 284.350 2.778 20 70 CFIDRO C[N@@H+]1CC[C@H](CNC(=O)C[C@@H]2CCCCC2(C)C)C1 ZINC000160101600 322333072 /nfs/dbraw/zinc/33/30/72/322333072.db2.gz UAENLXUOGYQNPS-KGLIPLIRSA-N 1 0 266.429 2.661 20 70 CFIDRO COCCOCC[NH2+]C/C(C)=C/c1ccc(Cl)cc1 ZINC000160138581 322333421 /nfs/dbraw/zinc/33/34/21/322333421.db2.gz DFQPPKFQYADMAN-ACCUITESSA-N 1 0 283.799 2.996 20 70 CFIDRO CCNC(=O)c1cccc(C[NH2+][C@@H](C(C)C)C2CC2)c1 ZINC000160200270 322334088 /nfs/dbraw/zinc/33/40/88/322334088.db2.gz MSTYYUJHEQBRLC-INIZCTEOSA-N 1 0 274.408 2.961 20 70 CFIDRO CCCCNC(=O)CC[N@@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000160393360 322337538 /nfs/dbraw/zinc/33/75/38/322337538.db2.gz IDMWQAUJDUIPIY-MRXNPFEDSA-N 1 0 289.423 2.833 20 70 CFIDRO Cc1ccc(-c2ccc(CN3CCNC(=O)C3)s2)cc1 ZINC000160507878 322339001 /nfs/dbraw/zinc/33/90/01/322339001.db2.gz UPHVKPFJPRUHOF-UHFFFAOYSA-N 1 0 286.400 2.655 20 70 CFIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC=CCC1 ZINC000160505706 322339052 /nfs/dbraw/zinc/33/90/52/322339052.db2.gz LBDDWUHCKWRPIW-HUUCEWRRSA-N 1 0 264.413 2.579 20 70 CFIDRO O=S(=O)(CC[N@@H+]1CC[C@@H]2CCCC[C@@H]21)c1ccccc1 ZINC000160548365 322339743 /nfs/dbraw/zinc/33/97/43/322339743.db2.gz NKDBVXJTZHHRJV-HOCLYGCPSA-N 1 0 293.432 2.725 20 70 CFIDRO C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)[C@@H](C)C1CCCCC1 ZINC000160571242 322339757 /nfs/dbraw/zinc/33/97/57/322339757.db2.gz MJIHUUDJGPUQGU-GHMZBOCLSA-N 1 0 294.361 2.859 20 70 CFIDRO CC[N@@H+]1CC[C@H](CNC(=O)C(C)(C)C2CCCC2)C1 ZINC000160664460 322341403 /nfs/dbraw/zinc/34/14/03/322341403.db2.gz IEYFWYQERXHVIG-CYBMUJFWSA-N 1 0 266.429 2.661 20 70 CFIDRO CC(C)[NH2+]CCC(=O)N[C@H](C)[C@H](C)c1ccccc1 ZINC000160891538 322344609 /nfs/dbraw/zinc/34/46/09/322344609.db2.gz CJMHDGXFBNNULZ-UONOGXRCSA-N 1 0 262.397 2.683 20 70 CFIDRO CC(C)C[C@H](C)NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000160921326 322344933 /nfs/dbraw/zinc/34/49/33/322344933.db2.gz QKULYHNBKVXFMA-NFOMZHRRSA-N 1 0 283.460 2.841 20 70 CFIDRO CC(C)NC(=O)C[NH2+][C@@H](C)[C@H](C)C1CCCCC1 ZINC000160953132 322345255 /nfs/dbraw/zinc/34/52/55/322345255.db2.gz CGXSVNWUPMCZDT-STQMWFEESA-N 1 0 254.418 2.706 20 70 CFIDRO CCOC(=O)CCC[N@H+](C)CCCc1ccccc1 ZINC000160968189 322345591 /nfs/dbraw/zinc/34/55/91/322345591.db2.gz BTAYMRSHHWESDD-UHFFFAOYSA-N 1 0 263.381 2.894 20 70 CFIDRO CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@H]1CCc2ccccc21 ZINC000160997447 322345827 /nfs/dbraw/zinc/34/58/27/322345827.db2.gz CKXYXWFNZGWDRB-GDBMZVCRSA-N 1 0 288.435 2.953 20 70 CFIDRO COc1ccc([C@@H](C)[NH2+][C@@H]2CCC(=O)N(C)C2)cc1Cl ZINC000161204031 322348674 /nfs/dbraw/zinc/34/86/74/322348674.db2.gz MQXWJWHRDCRHHY-ZYHUDNBSSA-N 1 0 296.798 2.620 20 70 CFIDRO CCO[C@H]1C[C@H]([NH2+][C@@H]2CCCOC2)C1(CC)CC ZINC000161309496 322349978 /nfs/dbraw/zinc/34/99/78/322349978.db2.gz CPIZWQVKTGKCLM-RDBSUJKOSA-N 1 0 255.402 2.739 20 70 CFIDRO CC1(C)C[N@H+](Cc2cnc3ccccn23)CCS1 ZINC000161309706 322349990 /nfs/dbraw/zinc/34/99/90/322349990.db2.gz YJIKYJWTQJYXJI-UHFFFAOYSA-N 1 0 261.394 2.662 20 70 CFIDRO CCC[NH+]1CCC(CNC(=O)N2CC[C@H](C)[C@@H](C)C2)CC1 ZINC000161412705 322351571 /nfs/dbraw/zinc/35/15/71/322351571.db2.gz SIWIPRILDPRRGJ-GJZGRUSLSA-N 1 0 295.471 2.796 20 70 CFIDRO CCCCCNC(=O)N1CCC([N@@H+]2CCC[C@H]2C)CC1 ZINC000161156568 520198303 /nfs/dbraw/zinc/19/83/03/520198303.db2.gz ANUVDVDUZLHGSN-CQSZACIVSA-N 1 0 281.444 2.835 20 70 CFIDRO CC[NH+](CC)[C@@H](C)CNC(=O)[C@H](C)c1ccsc1 ZINC000160071630 520827152 /nfs/dbraw/zinc/82/71/52/520827152.db2.gz AAGQRIGMRPXMLM-NWDGAFQWSA-N 1 0 268.426 2.698 20 70 CFIDRO C[C@@H](Sc1ccccc1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160715429 534010477 /nfs/dbraw/zinc/01/04/77/534010477.db2.gz NUBVEXQXSJXCFH-MCIONIFRSA-N 1 0 290.432 2.520 20 70 CFIDRO CC(C)CC1(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CCC1 ZINC000159425941 519621139 /nfs/dbraw/zinc/62/11/39/519621139.db2.gz BRGUNBGLEKRUMV-OKILXGFUSA-N 1 0 264.413 2.556 20 70 CFIDRO CCOC[C@@H]1CCC[N@H+](Cc2c(C)nc3ccccn32)C1 ZINC000160411266 520116809 /nfs/dbraw/zinc/11/68/09/520116809.db2.gz PTBDYJRBNISSFR-OAHLLOKOSA-N 1 0 287.407 2.891 20 70 CFIDRO CCO[C@@H]1C[C@@H]([NH2+]CC2(CO)CCCC2)C12CCCC2 ZINC000160087455 520362921 /nfs/dbraw/zinc/36/29/21/520362921.db2.gz RZGHHZOPMYZTFU-HUUCEWRRSA-N 1 0 281.440 2.867 20 70 CFIDRO c1ccc(N2CCC[N@@H+](CCOCC3CC3)CC2)cc1 ZINC000159457805 534495266 /nfs/dbraw/zinc/49/52/66/534495266.db2.gz BOMVYJNNGIPUTH-UHFFFAOYSA-N 1 0 274.408 2.625 20 70 CFIDRO CCCCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCCOC2)C1(C)C ZINC000159794066 520827094 /nfs/dbraw/zinc/82/70/94/520827094.db2.gz FULHTCXHWQRVPG-MGPQQGTHSA-N 1 0 255.402 2.739 20 70 CFIDRO CC[NH+](CC)[C@H](C)CNC(=O)[C@@H](C)c1ccsc1 ZINC000160071509 520857327 /nfs/dbraw/zinc/85/73/27/520857327.db2.gz AAGQRIGMRPXMLM-NEPJUHHUSA-N 1 0 268.426 2.698 20 70 CFIDRO CCOc1ccc(NC(=O)NCC[NH+](CC)CC)cc1 ZINC000217281543 521093977 /nfs/dbraw/zinc/09/39/77/521093977.db2.gz IODKVECQCJJKIR-UHFFFAOYSA-N 1 0 279.384 2.549 20 70 CFIDRO CC[NH+]1CCC(N(C)Cc2csc(C3CC3)n2)CC1 ZINC000161352210 521565332 /nfs/dbraw/zinc/56/53/32/521565332.db2.gz OBIXKAAUZPNSFW-UHFFFAOYSA-N 1 0 279.453 2.937 20 70 CFIDRO CCOCCC[N@H+](CC)Cc1ccc(C(=O)N(C)C)cc1 ZINC000160470039 521704666 /nfs/dbraw/zinc/70/46/66/521704666.db2.gz LLCRUNMAESFOAM-UHFFFAOYSA-N 1 0 292.423 2.637 20 70 CFIDRO [NH3+]CC1(C(=O)N[C@H](Cc2ccccc2)C2CC2)CCCC1 ZINC000159821367 534586062 /nfs/dbraw/zinc/58/60/62/534586062.db2.gz UOGPHFLCDMGKBV-MRXNPFEDSA-N 1 0 286.419 2.643 20 70 CFIDRO COc1c(C[NH2+]Cc2cccc3cc[nH]c32)c(C)nn1C ZINC000160203934 521833322 /nfs/dbraw/zinc/83/33/22/521833322.db2.gz JJQHNXQOBOLBQC-UHFFFAOYSA-N 1 0 284.363 2.508 20 70 CFIDRO C[NH2+]C[C@@H](C)C(=O)Nc1cc(C2CCCCCC2)[nH]n1 ZINC000159479008 522028344 /nfs/dbraw/zinc/02/83/44/522028344.db2.gz IRNWNWRYIRCKRQ-LLVKDONJSA-N 1 0 278.400 2.642 20 70 CFIDRO CC[C@H](COC)[NH2+]CCCc1nc2c(s1)CCCC2 ZINC000160627177 522257479 /nfs/dbraw/zinc/25/74/79/522257479.db2.gz JWVROSKKEVSWJG-GFCCVEGCSA-N 1 0 282.453 2.969 20 70 CFIDRO CC[C@H](COC)[NH2+]C[C@@H](C1CCCCC1)N(C)C ZINC000160418471 522257971 /nfs/dbraw/zinc/25/79/71/522257971.db2.gz AESASXQHYYRRCG-CABCVRRESA-N 1 0 256.434 2.512 20 70 CFIDRO CCc1nnc(C[NH2+][C@H]2C[C@@H](C)CC[C@@H]2C(C)C)[nH]1 ZINC000160545698 522357765 /nfs/dbraw/zinc/35/77/65/522357765.db2.gz MSMQTEBSCDJIQB-XQQFMLRXSA-N 1 0 264.417 2.918 20 70 CFIDRO COC(C[NH+]1CCC(Oc2ccc(C)c(C)c2)CC1)OC ZINC000160606814 522530427 /nfs/dbraw/zinc/53/04/27/522530427.db2.gz PUEGOBDBKRSGKB-UHFFFAOYSA-N 1 0 293.407 2.766 20 70 CFIDRO CC[C@@H](COC)[NH2+]CC(C)(C)N1CCC[C@@H](CC)C1 ZINC000161023176 522592428 /nfs/dbraw/zinc/59/24/28/522592428.db2.gz HSHIEULLHFUUMY-CABCVRRESA-N 1 0 270.461 2.902 20 70 CFIDRO CC[C@H]([NH2+]CCOCCOC)c1ccc(F)cc1F ZINC000160824529 522597253 /nfs/dbraw/zinc/59/72/53/522597253.db2.gz IKDQAVMILVPJIK-AWEZNQCLSA-N 1 0 273.323 2.669 20 70 CFIDRO CC[C@H](NC[C@@H](C1CCCCC1)[NH+](C)C)c1cnn(C)c1 ZINC000160391403 522609896 /nfs/dbraw/zinc/60/98/96/522609896.db2.gz OVWMEUDKTIKCOK-IRXDYDNUSA-N 1 0 292.471 2.971 20 70 CFIDRO CC[C@](C)(O)C[NH+]1CCC(Nc2cccc(OC)c2)CC1 ZINC000161347163 523490873 /nfs/dbraw/zinc/49/08/73/523490873.db2.gz GHBGLKXZRBLHDZ-KRWDZBQOSA-N 1 0 292.423 2.733 20 70 CFIDRO CC[C@]1(C)C[C@@H]1C(=O)NCC[NH2+]C1CCCCCC1 ZINC000159671587 523589189 /nfs/dbraw/zinc/58/91/89/523589189.db2.gz BCYKJMFRZODUPS-GDBMZVCRSA-N 1 0 266.429 2.851 20 70 CFIDRO CN(C(=O)c1csc2ccccc12)[C@H](C[NH3+])C1CC1 ZINC000159822527 523963778 /nfs/dbraw/zinc/96/37/78/523963778.db2.gz HJBXWJCDLFDPEU-CYBMUJFWSA-N 1 0 274.389 2.711 20 70 CFIDRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(F)c(Cl)c1 ZINC000159561354 524391156 /nfs/dbraw/zinc/39/11/56/524391156.db2.gz UPZSIAWKMNDUHE-ONGXEEELSA-N 1 0 284.762 2.565 20 70 CFIDRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cnc(C(C)(C)C)s1 ZINC000159645913 524568894 /nfs/dbraw/zinc/56/88/94/524568894.db2.gz ILNOCXCICGYIEH-GHMZBOCLSA-N 1 0 295.452 2.526 20 70 CFIDRO Cc1cccc([C@@H](C)[NH2+]C[C@@H](O)COCC(C)C)c1 ZINC000160225996 524829904 /nfs/dbraw/zinc/82/99/04/524829904.db2.gz RCSTXPNXPMEGDC-GDBMZVCRSA-N 1 0 265.397 2.679 20 70 CFIDRO COc1ccc([C@@H]2C[C@H](C)[N@H+](CCn3ccnc3)C2)cc1 ZINC000159840181 525263602 /nfs/dbraw/zinc/26/36/02/525263602.db2.gz OYBZGTKIBYEJJG-GOEBONIOSA-N 1 0 285.391 2.770 20 70 CFIDRO Cc1ccc(OCCC[N@@H+](C)[C@@H](CN)C2CC2)cc1C ZINC000160165792 525409722 /nfs/dbraw/zinc/40/97/22/525409722.db2.gz UPSQBRKVRSRBGB-KRWDZBQOSA-N 1 0 276.424 2.741 20 70 CFIDRO Cc1ccc(OCCC[N@@H+](C)[C@H](CN)C2CC2)cc1C ZINC000160165930 525409901 /nfs/dbraw/zinc/40/99/01/525409901.db2.gz UPSQBRKVRSRBGB-QGZVFWFLSA-N 1 0 276.424 2.741 20 70 CFIDRO CSCC[C@@H]([NH3+])C(=O)N[C@@H](C)CCC1CCCCC1 ZINC000160916015 525545761 /nfs/dbraw/zinc/54/57/61/525545761.db2.gz IMIZHPGMFKFWRM-GXTWGEPZSA-N 1 0 286.485 2.932 20 70 CFIDRO C[C@@H](O)C[N@H+](Cc1cnc2ccccn12)C1CCCCC1 ZINC000159589829 525786440 /nfs/dbraw/zinc/78/64/40/525786440.db2.gz CWMNIEHOEJIXNU-CQSZACIVSA-N 1 0 287.407 2.850 20 70 CFIDRO COc1cccc(CCCN2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000160335398 525885865 /nfs/dbraw/zinc/88/58/65/525885865.db2.gz SZCWQRRPUQRDAW-QGZVFWFLSA-N 1 0 288.435 2.798 20 70 CFIDRO O=C(CCC[NH2+]Cc1coc2ccccc12)NC1CC1 ZINC000159824786 526443277 /nfs/dbraw/zinc/44/32/77/526443277.db2.gz YMJWYZDNLDUNQD-UHFFFAOYSA-N 1 0 272.348 2.581 20 70 CFIDRO O=C(c1ccc2c(c1)CCCC2)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159839678 526722820 /nfs/dbraw/zinc/72/28/20/526722820.db2.gz PEJGEVHZMNTGMT-CALCHBBNSA-N 1 0 284.403 2.532 20 70 CFIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H]1CCCC[C@@H]1C(C)C)CC2 ZINC000160412125 527196051 /nfs/dbraw/zinc/19/60/51/527196051.db2.gz CFPKVAUUKLVPBR-ZNMIVQPWSA-N 1 0 276.428 2.706 20 70 CFIDRO [NH3+][C@H](C(=O)NC[C@H]1CCc2ccccc21)c1ccccc1 ZINC000159731269 527381455 /nfs/dbraw/zinc/38/14/55/527381455.db2.gz HEARZBUMLJGJIU-WBVHZDCISA-N 1 0 280.371 2.533 20 70 CFIDRO O=C(/C=C/c1cc2ccccc2o1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160512164 527603395 /nfs/dbraw/zinc/60/33/95/527603395.db2.gz WIRGKCDXLHDCAH-WNJITKBNSA-N 1 0 296.370 2.799 20 70 CFIDRO CC(C)C1(CNC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000160819368 527611506 /nfs/dbraw/zinc/61/15/06/527611506.db2.gz PYSFQGYUXARZOU-ZIAGYGMSSA-N 1 0 266.429 2.837 20 70 CFIDRO FC(F)(F)c1nnc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000160343294 527691149 /nfs/dbraw/zinc/69/11/49/527691149.db2.gz WNIAFHPCCMQTBM-JGVFFNPUSA-N 1 0 292.330 2.596 20 70 CFIDRO CC(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(=O)n2ccccc2n1 ZINC000160356379 527762922 /nfs/dbraw/zinc/76/29/22/527762922.db2.gz IMRPBCLVHXSQDE-CVEARBPZSA-N 1 0 299.418 2.999 20 70 CFIDRO CC(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)COCc1ccco1 ZINC000160371687 528655144 /nfs/dbraw/zinc/65/51/44/528655144.db2.gz DNJGIMKZIGBFAV-BHYGNILZSA-N 1 0 295.423 2.962 20 70 CFIDRO CCCOc1cccc(C[NH2+]Cc2cnn(C)c2C)c1 ZINC000160282362 528757481 /nfs/dbraw/zinc/75/74/81/528757481.db2.gz DNBRHVRXPKRGTI-UHFFFAOYSA-N 1 0 273.380 2.807 20 70 CFIDRO CC(C)[C@H](C)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1C(C)C ZINC000160358104 528965153 /nfs/dbraw/zinc/96/51/53/528965153.db2.gz BZTFILDKQKDAMT-SOUVJXGZSA-N 1 0 268.445 2.952 20 70 CFIDRO CC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C)cc1 ZINC000159921189 529167709 /nfs/dbraw/zinc/16/77/09/529167709.db2.gz UHCQJQMBGZFFQX-BFHYXJOUSA-N 1 0 262.397 2.949 20 70 CFIDRO CCSCC[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159853180 529178645 /nfs/dbraw/zinc/17/86/45/529178645.db2.gz MGNDBCYWTRLUIQ-UHFFFAOYSA-N 1 0 252.427 2.938 20 70 CFIDRO CC[C@@H](C)N(C)CC[NH2+][C@@H](C)Cc1ccccc1OC ZINC000160067563 529344145 /nfs/dbraw/zinc/34/41/45/529344145.db2.gz IVMCVLYKQNNSMN-LSDHHAIUSA-N 1 0 278.440 2.946 20 70 CFIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1C(C)C)CC2 ZINC000160411861 282118259 /nfs/dbraw/zinc/11/82/59/282118259.db2.gz CFPKVAUUKLVPBR-RRFJBIMHSA-N 1 0 276.428 2.706 20 70 CFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cc(F)cc(F)c1)CC2 ZINC000160456619 282127053 /nfs/dbraw/zinc/12/70/53/282127053.db2.gz CIIWJYHUSVXHPK-YMTOWFKASA-N 1 0 292.333 2.530 20 70 CFIDRO Cc1ccsc1CCCC(=O)N1CC[NH+](C(C)C)CC1 ZINC000161110804 232250203 /nfs/dbraw/zinc/25/02/03/232250203.db2.gz MEMDUVJMCIBGSD-UHFFFAOYSA-N 1 0 294.464 2.932 20 70 CFIDRO COc1cccc(NC(=O)C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)c1 ZINC000159685141 348014070 /nfs/dbraw/zinc/01/40/70/348014070.db2.gz JYKFEBFHBNJVMD-BBRMVZONSA-N 1 0 288.391 2.898 20 70 CFIDRO CC(C)CN(C(=O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21)C1CC1 ZINC000159727452 348014439 /nfs/dbraw/zinc/01/44/39/348014439.db2.gz ICBAKCWADUZXBR-HOCLYGCPSA-N 1 0 278.440 2.898 20 70 CFIDRO C[C@@H]1Cc2ccccc2N1C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160664852 348019801 /nfs/dbraw/zinc/01/98/01/348019801.db2.gz GFEJOBGQNPVTCM-CZUORRHYSA-N 1 0 299.418 2.632 20 70 CFIDRO C[C@@H]1CCCC[C@@H]1N(C)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160713773 348020752 /nfs/dbraw/zinc/02/07/52/348020752.db2.gz RXQVGWAXSVCNHZ-BMFZPTHFSA-N 1 0 293.455 2.691 20 70 CFIDRO C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c2ccccc21 ZINC000160759968 348020805 /nfs/dbraw/zinc/02/08/05/348020805.db2.gz CFKWJASMCWHDKU-UKRRQHHQSA-N 1 0 299.418 2.804 20 70 CFIDRO CCC(CC)(C[NH3+])C(=O)NCc1cc2ccccc2o1 ZINC000161185621 348023687 /nfs/dbraw/zinc/02/36/87/348023687.db2.gz HNWWIUVPTHBYHN-UHFFFAOYSA-N 1 0 274.364 2.814 20 70 CFIDRO C[C@H](C[NH2+][C@H]1CCCc2cccnc21)N(C)C1CC1 ZINC000217596349 539658831 /nfs/dbraw/zinc/65/88/31/539658831.db2.gz RZYUUSKRARDKOV-DOMZBBRYSA-N 1 0 259.397 2.531 20 70 CFIDRO Fc1cc(Cl)cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)c1 ZINC000160965259 539730570 /nfs/dbraw/zinc/73/05/70/539730570.db2.gz UZDHSVPTINQJGR-UPJWGTAASA-N 1 0 255.720 2.889 20 70 CFIDRO C[C@H](CC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccncc1 ZINC000160790037 539828506 /nfs/dbraw/zinc/82/85/06/539828506.db2.gz BEQPFTVOWOETFF-YCPHGPKFSA-N 1 0 289.423 2.516 20 70 CFIDRO C[C@@H]([NH2+]C[C@H](C)N1CCc2sccc2C1)[C@@H]1CCOC1 ZINC000159852022 188445125 /nfs/dbraw/zinc/44/51/25/188445125.db2.gz KEABZKZBYMNPRE-GZBFAFLISA-N 1 0 294.464 2.509 20 70 CFIDRO CC1(C)C[C@H]([NH2+]Cc2ccc3c[nH]nc3c2)CCO1 ZINC000160540794 188479393 /nfs/dbraw/zinc/47/93/93/188479393.db2.gz DJNAPGSVUCWYHY-CYBMUJFWSA-N 1 0 259.353 2.610 20 70 CFIDRO CC[C@H]([NH3+])C(=O)N(CCc1ccc(Cl)cc1)CC1CC1 ZINC000160881593 188496445 /nfs/dbraw/zinc/49/64/45/188496445.db2.gz JKLRBMBXLDBCMY-HNNXBMFYSA-N 1 0 294.826 2.858 20 70 CFIDRO CCS[C@@H]1CCCCN(C(=O)C(CC)(CC)C[NH3+])C1 ZINC000161224133 188516351 /nfs/dbraw/zinc/51/63/51/188516351.db2.gz HYBFBEAUDLOCHL-CYBMUJFWSA-N 1 0 286.485 2.886 20 70 CFIDRO CCCCc1ccc(CC(=O)N2CCC[C@H]2C[NH2+]C)cc1 ZINC000161364854 188524161 /nfs/dbraw/zinc/52/41/61/188524161.db2.gz YSXGUQDHSFZTDM-KRWDZBQOSA-N 1 0 288.435 2.782 20 70 CFIDRO [NH3+]C1(CNC(=O)CCc2ccccc2F)CCCCC1 ZINC000159488927 540649999 /nfs/dbraw/zinc/64/99/99/540649999.db2.gz MBYUULTXKQUYNA-UHFFFAOYSA-N 1 0 278.371 2.536 20 70 CFIDRO CC[C@@H](NC(=O)c1ccc(C[NH3+])o1)c1ccc(F)cc1F ZINC000159728610 540662643 /nfs/dbraw/zinc/66/26/43/540662643.db2.gz YGURKBPRWXAGNI-CYBMUJFWSA-N 1 0 294.301 2.898 20 70 CFIDRO CCCn1nccc1CNC[C@H](C(C)C)[NH+]1CCCC1 ZINC000159990205 540667082 /nfs/dbraw/zinc/66/70/82/540667082.db2.gz GUNSAHPQYRFHKN-MRXNPFEDSA-N 1 0 278.444 2.503 20 70 CFIDRO CCCn1nccc1CNC[C@@H](C(C)C)[NH+]1CCCC1 ZINC000159990063 540667099 /nfs/dbraw/zinc/66/70/99/540667099.db2.gz GUNSAHPQYRFHKN-INIZCTEOSA-N 1 0 278.444 2.503 20 70 CFIDRO CCC([NH3+])(CC)CNC(=O)c1cc2cccc(F)c2o1 ZINC000160441673 540673491 /nfs/dbraw/zinc/67/34/91/540673491.db2.gz RIYUKGGYAOLWGJ-UHFFFAOYSA-N 1 0 278.327 2.819 20 70 CFIDRO O[C@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000160560808 540675765 /nfs/dbraw/zinc/67/57/65/540675765.db2.gz ASQRJOOCRWZIHP-WQVCFCJDSA-N 1 0 263.356 2.954 20 70 CFIDRO C[NH2+]CCCN(C)C(=O)c1cc2ccc(F)cc2s1 ZINC000160953222 540684005 /nfs/dbraw/zinc/68/40/05/540684005.db2.gz DRAWTNYZKNDTFR-UHFFFAOYSA-N 1 0 280.368 2.722 20 70 CFIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)CCc2ccc(Cl)s2)C1 ZINC000161081608 540688350 /nfs/dbraw/zinc/68/83/50/540688350.db2.gz YJYBEDJUEFYGLR-VHSXEESVSA-N 1 0 286.828 2.720 20 70 CFIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)C2(Cc3ccccc3)CCC2)C1 ZINC000161018882 540686989 /nfs/dbraw/zinc/68/69/89/540686989.db2.gz CQWFZMGHKMRFCM-CVEARBPZSA-N 1 0 286.419 2.786 20 70 CFIDRO [NH3+]CC1CCN(C(=O)c2cc3ccc(F)cc3s2)CC1 ZINC000161198876 540690533 /nfs/dbraw/zinc/69/05/33/540690533.db2.gz VAMAEVHANLXADC-UHFFFAOYSA-N 1 0 292.379 2.851 20 70 CFIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CCCC2CCCC2)C1 ZINC000161224818 540690885 /nfs/dbraw/zinc/69/08/85/540690885.db2.gz UDBIJYLRTMLBJJ-ZIAGYGMSSA-N 1 0 252.402 2.733 20 70 CFIDRO CCC(CC)(C[NH3+])C(=O)N1CCc2c1cccc2C ZINC000161201113 540690900 /nfs/dbraw/zinc/69/09/00/540690900.db2.gz IHWMSKPTNLDIAT-UHFFFAOYSA-N 1 0 260.381 2.649 20 70 CFIDRO CC(C)c1ccsc1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000161291527 540691769 /nfs/dbraw/zinc/69/17/69/540691769.db2.gz CMJSVXMVESCXLW-GHMZBOCLSA-N 1 0 266.410 2.871 20 70 CFIDRO CC(C)c1ccc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000161395120 540693055 /nfs/dbraw/zinc/69/30/55/540693055.db2.gz AXSIILLTXPJCAB-HUUCEWRRSA-N 1 0 260.381 2.810 20 70 CFIDRO O=C(CCC[NH2+][C@H]1CCCOC1)Nc1ccc(Cl)cc1 ZINC000160805096 541479708 /nfs/dbraw/zinc/47/97/08/541479708.db2.gz NNZKFTBDBKYUAT-AWEZNQCLSA-N 1 0 296.798 2.827 20 70 CFIDRO CC[C@@H]([NH2+]Cc1ccc(C)nc1)c1c(C)nn(C)c1C ZINC000161328141 541586673 /nfs/dbraw/zinc/58/66/73/541586673.db2.gz RIMPPHIGRAKNHJ-OAHLLOKOSA-N 1 0 272.396 2.981 20 70 CFIDRO CC(C)[N@H+](CCCCS(C)(=O)=O)Cc1ccccc1 ZINC000161309873 541583322 /nfs/dbraw/zinc/58/33/22/541583322.db2.gz NGQBZCMCOQUBHX-UHFFFAOYSA-N 1 0 283.437 2.722 20 70 CFIDRO CS(=O)(=O)CCCC[N@H+](Cc1cccc(F)c1)C1CC1 ZINC000161503887 541663193 /nfs/dbraw/zinc/66/31/93/541663193.db2.gz SMKSCKHGGHBVSP-UHFFFAOYSA-N 1 0 299.411 2.615 20 70 CFIDRO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1CCn1ccnc1 ZINC000159837875 378734540 /nfs/dbraw/zinc/73/45/40/378734540.db2.gz NPVJFFULTYRVHH-UKRRQHHQSA-N 1 0 273.355 2.900 20 70 CFIDRO O=C([C@H]1CCC[NH2+]C1)N1CCCC2(CCCCC2)C1 ZINC000159859107 378735844 /nfs/dbraw/zinc/73/58/44/378735844.db2.gz ZHBSGVYTHJUJHA-AWEZNQCLSA-N 1 0 264.413 2.559 20 70 CFIDRO Cc1ccc([C@@H]2CCCCN2C(=O)CCC[NH3+])cc1 ZINC000159913883 378736948 /nfs/dbraw/zinc/73/69/48/378736948.db2.gz WYOFOSOYXPTUFI-HNNXBMFYSA-N 1 0 260.381 2.788 20 70 CFIDRO COc1cc(N[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)ccc1F ZINC000159953204 378739297 /nfs/dbraw/zinc/73/92/97/378739297.db2.gz NQELQXUNNKDXGB-UHIISALHSA-N 1 0 266.360 2.975 20 70 CFIDRO CC(C)Oc1ccc(CN[C@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cn1 ZINC000160065581 378747573 /nfs/dbraw/zinc/74/75/73/378747573.db2.gz GSMKIWLYLZYKAP-YCPHGPKFSA-N 1 0 291.439 2.687 20 70 CFIDRO CCC[C@@H]([NH3+])C(=O)N1CCC[C@](C)(c2ccccc2)C1 ZINC000160104841 378748274 /nfs/dbraw/zinc/74/82/74/378748274.db2.gz IBZDURDEMMPUNE-WBVHZDCISA-N 1 0 274.408 2.694 20 70 CFIDRO CN(Cc1cc(F)cc2cccnc21)[C@@H](C[NH3+])C1CC1 ZINC000160108660 378749850 /nfs/dbraw/zinc/74/98/50/378749850.db2.gz KAEMNFPPCMBDJU-HNNXBMFYSA-N 1 0 273.355 2.543 20 70 CFIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000159372031 378704811 /nfs/dbraw/zinc/70/48/11/378704811.db2.gz FNZZRHVIFCORFC-NEPJUHHUSA-N 1 0 260.337 2.715 20 70 CFIDRO C[C@H](C(=O)NCC1CCCCC1)N(C)Cc1cccnc1 ZINC000159453314 378710324 /nfs/dbraw/zinc/71/03/24/378710324.db2.gz OSIFLQDUQNCBPU-CQSZACIVSA-N 1 0 289.423 2.598 20 70 CFIDRO CC[C@@H]([NH2+]CCCN1CCCC1=O)c1ccccc1 ZINC000159492418 378711873 /nfs/dbraw/zinc/71/18/73/378711873.db2.gz PZIHUXVLQOSYFB-OAHLLOKOSA-N 1 0 260.381 2.740 20 70 CFIDRO CC(C)C[C@H]([NH2+]CCCN1CCCC1=O)c1ccccn1 ZINC000159476082 378712509 /nfs/dbraw/zinc/71/25/09/378712509.db2.gz PNSHEXIIGLLMIC-INIZCTEOSA-N 1 0 289.423 2.771 20 70 CFIDRO CC(C)N1CC[C@H]([NH2+][C@@H]2CCCc3cc(F)ccc32)C1=O ZINC000159543364 378715431 /nfs/dbraw/zinc/71/54/31/378715431.db2.gz XUNMKYKPQAKHTN-CVEARBPZSA-N 1 0 290.382 2.802 20 70 CFIDRO C[C@H](c1cccc(F)c1)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159559653 378716746 /nfs/dbraw/zinc/71/67/46/378716746.db2.gz JTNRFVNFCAPYQZ-ZLDLUXBVSA-N 1 0 251.345 2.980 20 70 CFIDRO Cc1cccc([C@@H](C)[NH2+]CCCN2CCCC2=O)c1 ZINC000159577743 378718905 /nfs/dbraw/zinc/71/89/05/378718905.db2.gz SEKQELXKAALKEZ-CQSZACIVSA-N 1 0 260.381 2.658 20 70 CFIDRO CN(Cc1ccc(C(F)(F)F)cc1)[C@H](C[NH3+])C1CC1 ZINC000159659877 378723280 /nfs/dbraw/zinc/72/32/80/378723280.db2.gz JMZQAZHMBGNOKB-CYBMUJFWSA-N 1 0 272.314 2.875 20 70 CFIDRO Cc1ccc([C@H](C)CNC(=O)[C@@H]([NH3+])CC(C)C)cc1 ZINC000159655721 378723409 /nfs/dbraw/zinc/72/34/09/378723409.db2.gz RYIRGXQOUSHHCB-HIFRSBDPSA-N 1 0 262.397 2.588 20 70 CFIDRO c1cn(CC[N@@H+]2CCC[C@@H]2Cc2ccccc2)cn1 ZINC000159708716 378725708 /nfs/dbraw/zinc/72/57/08/378725708.db2.gz RBBSJSMRGUEZOP-MRXNPFEDSA-N 1 0 255.365 2.590 20 70 CFIDRO CC[C@@H](NC(=O)CC1CC[NH2+]CC1)c1ccc(F)cc1F ZINC000159728880 378727407 /nfs/dbraw/zinc/72/74/07/378727407.db2.gz PRTFEYOETRFNRA-OAHLLOKOSA-N 1 0 296.361 2.922 20 70 CFIDRO CN(C)c1cccc(C[N@H+](C)CCc2ccncc2)c1 ZINC000159791891 378730402 /nfs/dbraw/zinc/73/04/02/378730402.db2.gz YASJDCSTLFDVTE-UHFFFAOYSA-N 1 0 269.392 2.822 20 70 CFIDRO C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000159803086 378730466 /nfs/dbraw/zinc/73/04/66/378730466.db2.gz FRONBGOBJUXJHC-UXIGCNINSA-N 1 0 292.398 2.904 20 70 CFIDRO Cc1ccc(C[C@@H]2CCC[N@@H+]2CCn2ccnc2)cc1 ZINC000159826422 378732004 /nfs/dbraw/zinc/73/20/04/378732004.db2.gz MQPPJDMRSNXIBQ-KRWDZBQOSA-N 1 0 269.392 2.899 20 70 CFIDRO CC(C)(C)c1ncc(C[NH+]2CCC(CC(N)=O)CC2)s1 ZINC000159815576 378732054 /nfs/dbraw/zinc/73/20/54/378732054.db2.gz YIQDSPGLVJXIHT-UHFFFAOYSA-N 1 0 295.452 2.528 20 70 CFIDRO OC[C@@H]1CCC[N@@H+]1CCc1cccc(OC(F)(F)F)c1 ZINC000159852914 378733638 /nfs/dbraw/zinc/73/36/38/378733638.db2.gz FQLVKSDNJALGLV-LBPRGKRZSA-N 1 0 289.297 2.584 20 70 CFIDRO CCc1nnc(CN[C@@H](C)c2cc(C)ccc2OC)[nH]1 ZINC000160280932 378760771 /nfs/dbraw/zinc/76/07/71/378760771.db2.gz VJBZZYSXISIAED-NSHDSACASA-N 1 0 274.368 2.535 20 70 CFIDRO CC1(C)C[C@@H](NC(=O)C[C@H]2CCC[NH2+]2)c2ccccc2O1 ZINC000160345460 378765193 /nfs/dbraw/zinc/76/51/93/378765193.db2.gz ILQPSGOUJVWETC-TZMCWYRMSA-N 1 0 288.391 2.547 20 70 CFIDRO CO[C@@]1(C[NH2+]C[C@@H]2CCCc3ccccc32)CCOC1 ZINC000160361188 378766955 /nfs/dbraw/zinc/76/69/55/378766955.db2.gz AZLVKCWGTJVWQJ-DOTOQJQBSA-N 1 0 275.392 2.502 20 70 CFIDRO C[C@@H]1CCC[C@](CNC(=O)[C@@H]2CC2(C)C)([NH+](C)C)C1 ZINC000160413439 378769884 /nfs/dbraw/zinc/76/98/84/378769884.db2.gz DQBQPMLKBNHNMU-WWGRRREGSA-N 1 0 266.429 2.659 20 70 CFIDRO CCC([NH3+])(CC)CNC(=O)CCOc1ccc(Cl)cc1 ZINC000160434232 378772792 /nfs/dbraw/zinc/77/27/92/378772792.db2.gz IESKIDXCMUYVEP-UHFFFAOYSA-N 1 0 298.814 2.743 20 70 CFIDRO CCc1ncnc(N2CCC[C@H]2C[NH+]2CCCCC2)c1F ZINC000160458644 378774605 /nfs/dbraw/zinc/77/46/05/378774605.db2.gz LTLGABITVKUJDR-ZDUSSCGKSA-N 1 0 292.402 2.633 20 70 CFIDRO O=C(C[C@H]1CCC[NH2+]1)NCC1(c2cccc(Cl)c2)CC1 ZINC000160548185 378780777 /nfs/dbraw/zinc/78/07/77/378780777.db2.gz IXEHCWWCBMYHIB-CQSZACIVSA-N 1 0 292.810 2.630 20 70 CFIDRO CCc1nnc(C[NH2+][C@@H](C)[C@@H](C)c2ccccc2)[nH]1 ZINC000160563302 378782840 /nfs/dbraw/zinc/78/28/40/378782840.db2.gz BICDJGAHAHBNRZ-NEPJUHHUSA-N 1 0 258.369 2.649 20 70 CFIDRO CC1=C(C(=O)N2CCC([N@H+]3CCC[C@H]3C)CC2)CCCO1 ZINC000160814254 378800773 /nfs/dbraw/zinc/80/07/73/378800773.db2.gz BOBFXJYAOUTLTQ-CYBMUJFWSA-N 1 0 292.423 2.546 20 70 CFIDRO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CC(C)(C)O ZINC000160624222 378786720 /nfs/dbraw/zinc/78/67/20/378786720.db2.gz GLEWTKXHRCSTAZ-AWEZNQCLSA-N 1 0 253.361 2.753 20 70 CFIDRO CC[C@H]([NH2+]CCNC(=O)c1ccco1)c1ccc(F)cc1 ZINC000160712499 378792878 /nfs/dbraw/zinc/79/28/78/378792878.db2.gz HAUYRKWPIMHGPN-AWEZNQCLSA-N 1 0 290.338 2.889 20 70 CFIDRO C[NH2+][C@@H]1CCN(C(=O)CCc2ccc3ccccc3c2)C1 ZINC000160755413 378796998 /nfs/dbraw/zinc/79/69/98/378796998.db2.gz WMQHYFWGGXMGRP-QGZVFWFLSA-N 1 0 282.387 2.593 20 70 CFIDRO COc1ccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)cc1F ZINC000160792653 378797873 /nfs/dbraw/zinc/79/78/73/378797873.db2.gz LXPJNFHYPDDURP-PBHICJAKSA-N 1 0 293.382 2.961 20 70 CFIDRO CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)CC(OC)OC ZINC000161281250 378836171 /nfs/dbraw/zinc/83/61/71/378836171.db2.gz OXVWPBOJGLBHJO-HNNXBMFYSA-N 1 0 265.397 2.867 20 70 CFIDRO CCC(CC)(C[NH3+])C(=O)N1CC[C@H](Cc2ccccc2)C1 ZINC000161179327 378829610 /nfs/dbraw/zinc/82/96/10/378829610.db2.gz PFLHMOCHINUUGQ-MRXNPFEDSA-N 1 0 288.435 2.843 20 70 CFIDRO CSCC[C@@H]([NH3+])C(=O)N[C@@H](C)c1cccc(C)c1C ZINC000160836258 378801751 /nfs/dbraw/zinc/80/17/51/378801751.db2.gz KDGUEAASHOPHBJ-GXTWGEPZSA-N 1 0 280.437 2.561 20 70 CFIDRO CC(C)C1(CNC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000160818634 378802241 /nfs/dbraw/zinc/80/22/41/378802241.db2.gz DYXCPGKMKJBJPT-ZFWWWQNUSA-N 1 0 274.408 2.875 20 70 CFIDRO C[C@H](C[NH2+][C@@H](C)[C@@H]1CCOC1)N(C)Cc1ccccc1 ZINC000160858367 378803659 /nfs/dbraw/zinc/80/36/59/378803659.db2.gz AQXVPZBODNXECA-HLLBOEOZSA-N 1 0 276.424 2.522 20 70 CFIDRO CCc1ccc(C(C)(C)CNC(=O)C[C@@H]2CCC[NH2+]2)cc1 ZINC000160870014 378805583 /nfs/dbraw/zinc/80/55/83/378805583.db2.gz YOAARJGNEAPLIF-INIZCTEOSA-N 1 0 288.435 2.785 20 70 CFIDRO O=C(CC[NH2+]Cc1ccc(Cl)cc1F)N1CCCCC1 ZINC000160888084 378807451 /nfs/dbraw/zinc/80/74/51/378807451.db2.gz KPHADGOKBPMOIS-UHFFFAOYSA-N 1 0 298.789 2.971 20 70 CFIDRO CC[C@](C)(O)C[N@H+](C)Cc1ccc(OC)c(C)c1 ZINC000160893703 378808188 /nfs/dbraw/zinc/80/81/88/378808188.db2.gz CDMDQTMIRNRKIE-HNNXBMFYSA-N 1 0 251.370 2.596 20 70 CFIDRO CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1ccc(C)s1 ZINC000160938222 378812191 /nfs/dbraw/zinc/81/21/91/378812191.db2.gz FUUOGSXDOTUTRU-NSHDSACASA-N 1 0 268.426 2.793 20 70 CFIDRO Cc1cc(C)c2c(c1)[C@@H]([NH2+]CC(=O)NC(C)C)CCCO2 ZINC000160984849 378812978 /nfs/dbraw/zinc/81/29/78/378812978.db2.gz ZIKNUKKFSGYXHI-HNNXBMFYSA-N 1 0 290.407 2.631 20 70 CFIDRO CC[C@H](C)N(C)C(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000160968373 378813802 /nfs/dbraw/zinc/81/38/02/378813802.db2.gz KZLMKNUICDEPDP-GJZGRUSLSA-N 1 0 283.460 2.937 20 70 CFIDRO CCCn1ccc2ccc(NC(=O)[C@@H]([NH3+])CC)cc21 ZINC000161281936 378835338 /nfs/dbraw/zinc/83/53/38/378835338.db2.gz COOYHTQYOCWACG-ZDUSSCGKSA-N 1 0 259.353 2.727 20 70 CFIDRO COC[C@@H](C)[NH2+][C@@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000161043830 378816968 /nfs/dbraw/zinc/81/69/68/378816968.db2.gz YAUZIIIYKIHCEK-MLGOLLRUSA-N 1 0 279.380 2.779 20 70 CFIDRO Cc1ncc([C@@H](C)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c(C)n1 ZINC000161050169 378817551 /nfs/dbraw/zinc/81/75/51/378817551.db2.gz RQGJJSSYRWPINS-YUELXQCFSA-N 1 0 276.428 2.617 20 70 CFIDRO C[C@H](CO)[N@H+](C)Cc1ccc(Br)cc1Cl ZINC000161066935 378819756 /nfs/dbraw/zinc/81/97/56/378819756.db2.gz PORHTUFLTJGNSK-MRVPVSSYSA-N 1 0 292.604 2.915 20 70 CFIDRO C[C@H]([NH2+]CC1(c2ccc(F)cc2)CC1)c1cnn(C)c1 ZINC000161361064 378840801 /nfs/dbraw/zinc/84/08/01/378840801.db2.gz MYVJZVIYPJVROM-LBPRGKRZSA-N 1 0 273.355 2.942 20 70 CFIDRO C[C@@]1(C(=O)Nc2nc(-c3ccco3)cs2)CCC[NH2+]C1 ZINC000161353213 378841298 /nfs/dbraw/zinc/84/12/98/378841298.db2.gz GLCVVGRVIHUECO-CQSZACIVSA-N 1 0 291.376 2.731 20 70 CFIDRO C/C(=C\c1ccc(Cl)cc1)C[NH2+]C[C@H](C)CO ZINC000160120218 322333182 /nfs/dbraw/zinc/33/31/82/322333182.db2.gz SQHBZSUTCKOUPO-VNKGSWCUSA-N 1 0 253.773 2.961 20 70 CFIDRO O=C(Nc1ccc(C(F)(F)F)cc1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000216652287 382784440 /nfs/dbraw/zinc/78/44/40/382784440.db2.gz LNCGMGIRQOROOF-SKDRFNHKSA-N 1 0 299.296 2.531 20 70 CFIDRO CC[C@H](C)N(C)CC[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000217388244 382786120 /nfs/dbraw/zinc/78/61/20/382786120.db2.gz YDHLGMKRIRYGAO-HNNXBMFYSA-N 1 0 286.423 2.692 20 70 CFIDRO COc1ccc(CN[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c(OC)c1 ZINC000217440590 382786737 /nfs/dbraw/zinc/78/67/37/382786737.db2.gz PURYOPZTMZKRHJ-HEHGZKQESA-N 1 0 292.423 2.522 20 70 CFIDRO CC[C@H](C)N(C)CC[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000217758761 382787883 /nfs/dbraw/zinc/78/78/83/382787883.db2.gz VTGQUZOXVYCYPS-ZDUSSCGKSA-N 1 0 259.397 2.988 20 70 CFIDRO CC1(C)Cc2cccc(C[NH2+]CCSCCCO)c2O1 ZINC000217801796 382788069 /nfs/dbraw/zinc/78/80/69/382788069.db2.gz YZEXIIJVXJBROC-UHFFFAOYSA-N 1 0 295.448 2.605 20 70 CFIDRO C[C@@H]([NH2+][C@H]1CCC[C@@H](C)C1)c1cccc(S(N)(=O)=O)c1 ZINC000217996014 382788439 /nfs/dbraw/zinc/78/84/39/382788439.db2.gz YQILCCDQWDAIMY-BZPMIXESSA-N 1 0 296.436 2.563 20 70 CFIDRO C[C@H]1CCCC[C@@H]1[NH2+]CCS(=O)(=O)c1ccccc1 ZINC000218461045 382790339 /nfs/dbraw/zinc/79/03/39/382790339.db2.gz HKPUMDHSXFAMIP-ZFWWWQNUSA-N 1 0 281.421 2.629 20 70 CFIDRO C[NH2+][C@H]1CCN(C(=O)c2ccccc2SC(C)C)C1 ZINC000160695177 533037618 /nfs/dbraw/zinc/03/76/18/533037618.db2.gz WNUSCFBMDBJITO-LBPRGKRZSA-N 1 0 278.421 2.621 20 70 CFIDRO COC[C@@H]([NH2+]CC1(c2ccc(F)cc2)CC1)C1CC1 ZINC000161383145 285234155 /nfs/dbraw/zinc/23/41/55/285234155.db2.gz JZWQAASGSSOAFU-OAHLLOKOSA-N 1 0 263.356 2.872 20 70 CFIDRO C[C@@H](Cc1ccccc1F)[NH2+]CCNC(=O)OC(C)(C)C ZINC000218126691 130767328 /nfs/dbraw/zinc/76/73/28/130767328.db2.gz BQWZKMZKFWTALZ-LBPRGKRZSA-N 1 0 296.386 2.871 20 70 CFIDRO CCOC[C@@H](O)C[N@@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000217183655 393756953 /nfs/dbraw/zinc/75/69/53/393756953.db2.gz AOJXQACARYBMNC-SJORKVTESA-N 1 0 277.408 2.654 20 70 CFIDRO [NH3+]C[C@H]1CCCN(C(=O)/C=C\c2ccc(Cl)cc2)C1 ZINC000217533693 393757149 /nfs/dbraw/zinc/75/71/49/393757149.db2.gz QBGORAJWHRNAOF-DMTLFAOVSA-N 1 0 278.783 2.551 20 70 CFIDRO CC1CC[NH+](CCNC(=O)[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000160552942 394366379 /nfs/dbraw/zinc/36/63/79/394366379.db2.gz ODIYJYDJYYXVGV-HUUCEWRRSA-N 1 0 266.429 2.661 20 70 CFIDRO CC[C@H]([NH2+][C@@H]1CCc2nc(C)nn2C1)C1CCCCC1 ZINC000160560769 394366478 /nfs/dbraw/zinc/36/64/78/394366478.db2.gz GZLMQGINRIYBSS-CABCVRRESA-N 1 0 276.428 2.850 20 70 CFIDRO CC(C)(O)C[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000160603080 394366796 /nfs/dbraw/zinc/36/67/96/394366796.db2.gz NVFKHOBVXZFZTN-GFCCVEGCSA-N 1 0 269.772 2.914 20 70 CFIDRO CN(CCC1CC1)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000160906592 394366898 /nfs/dbraw/zinc/36/68/98/394366898.db2.gz BSDAQLQUOOLCDW-ZDUSSCGKSA-N 1 0 295.452 2.792 20 70 CFIDRO C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000161097802 274570507 /nfs/dbraw/zinc/57/05/07/274570507.db2.gz RHFUAWCNLNCULX-HWWQOWPSSA-N 1 0 290.382 2.565 20 70 CFIDRO CC(C)c1ccc(C(=O)N(C)[C@H](C[NH3+])C2CC2)cc1 ZINC000159860006 275732039 /nfs/dbraw/zinc/73/20/39/275732039.db2.gz RSIDJMLRPBNRBC-OAHLLOKOSA-N 1 0 260.381 2.619 20 70 CFIDRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)NCC(F)(F)F ZINC000159841997 275989137 /nfs/dbraw/zinc/98/91/37/275989137.db2.gz OHBYTFGPFOFZQE-SRVKXCTJSA-N 1 0 294.361 2.858 20 70 CFIDRO CC(C)c1ccc(N(C)C(=O)C[NH2+]C[C@@H]2CCCO2)cc1 ZINC000161458446 276053905 /nfs/dbraw/zinc/05/39/05/276053905.db2.gz FAJSHTBRDXBNID-INIZCTEOSA-N 1 0 290.407 2.541 20 70 CFIDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCCOC2)C1(CC)CC ZINC000161309613 276475011 /nfs/dbraw/zinc/47/50/11/276475011.db2.gz CPIZWQVKTGKCLM-MGPQQGTHSA-N 1 0 255.402 2.739 20 70 CFIDRO C[NH2+]C[C@H]1CCCN1C(=O)/C=C/c1cc2ccccc2o1 ZINC000161296765 277283713 /nfs/dbraw/zinc/28/37/13/277283713.db2.gz NSGLHTJPGCKULN-MYSGNRETSA-N 1 0 284.359 2.656 20 70 CFIDRO C[C@@H]([NH2+]CC1(c2ccc(F)cc2)CC1)[C@H]1CCOC1 ZINC000161352666 277617714 /nfs/dbraw/zinc/61/77/14/277617714.db2.gz WDMWLAMCVUTEGO-OLZOCXBDSA-N 1 0 263.356 2.872 20 70 CFIDRO CSC[C@@H](CCO)[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000160153868 278134340 /nfs/dbraw/zinc/13/43/40/278134340.db2.gz NUJQIVGMGSUYQN-OCCSQVGLSA-N 1 0 269.385 2.517 20 70 CFIDRO CCC(CC)(C[NH3+])C(=O)NCc1c(C)cc(C)cc1C ZINC000161175464 278585673 /nfs/dbraw/zinc/58/56/73/278585673.db2.gz STJSTLXQACFOHC-UHFFFAOYSA-N 1 0 276.424 2.993 20 70 CFIDRO CC(C)CC[C@@H](NC(=O)[C@H]1CCC[NH2+]C1)C(C)(C)C ZINC000160072799 278784984 /nfs/dbraw/zinc/78/49/84/278784984.db2.gz QPLYHBOLTODAFA-UONOGXRCSA-N 1 0 268.445 2.953 20 70 CFIDRO Cc1cc2c(cc1C)[C@@H]([NH2+]CC(=O)NC(C)C)CCCO2 ZINC000160959244 280676896 /nfs/dbraw/zinc/67/68/96/280676896.db2.gz HMECVLCBCALITM-HNNXBMFYSA-N 1 0 290.407 2.631 20 70 CFIDRO CC[C@H]([NH3+])C(=O)N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000161011396 280874361 /nfs/dbraw/zinc/87/43/61/280874361.db2.gz HXJPNKXXHWANMM-STQMWFEESA-N 1 0 298.839 2.694 20 70 CFIDRO CC(C)(C)OC(=O)NCC[NH2+]Cc1ccc(Cl)o1 ZINC000218073580 280932211 /nfs/dbraw/zinc/93/22/11/280932211.db2.gz RVPAAZNFWGLQJE-UHFFFAOYSA-N 1 0 274.748 2.547 20 70 CFIDRO CC(C)C[NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000218100292 280933279 /nfs/dbraw/zinc/93/32/79/280933279.db2.gz CWSCPYXMXPIFPI-GFCCVEGCSA-N 1 0 256.390 2.632 20 70 CFIDRO Cc1ncc([C@@H](C)[NH2+][C@@H]2CCCSC2)c(C)n1 ZINC000159562305 293603844 /nfs/dbraw/zinc/60/38/44/293603844.db2.gz RCDLUEWKRDQYKV-ZYHUDNBSSA-N 1 0 251.399 2.640 20 70 CFIDRO Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000161292944 302223529 /nfs/dbraw/zinc/22/35/29/302223529.db2.gz MXVQTTPSDPQOQW-XHSDSOJGSA-N 1 0 286.419 2.699 20 70 CFIDRO CCC[C@H]([NH2+]CC(=O)NC(C)C)C1CCCCC1 ZINC000160965670 322345464 /nfs/dbraw/zinc/34/54/64/322345464.db2.gz VREVKDICCPGNTC-AWEZNQCLSA-N 1 0 254.418 2.850 20 70 CFIDRO CCc1ccc([C@H](CNC(=O)C2(C)CC2)[NH+](C)C)cc1 ZINC000159652292 322325753 /nfs/dbraw/zinc/32/57/53/322325753.db2.gz ZUBLWMWIXPDIOU-HNNXBMFYSA-N 1 0 274.408 2.768 20 70 CFIDRO CC(C)CSCCC[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000159671640 322326152 /nfs/dbraw/zinc/32/61/52/322326152.db2.gz DXYFYSUJUQBAQJ-KGLIPLIRSA-N 1 0 259.459 2.859 20 70 CFIDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCC1(C2CC2)CC1 ZINC000159751137 322327343 /nfs/dbraw/zinc/32/73/43/322327343.db2.gz ZOQWXVRNKGTVLZ-UONOGXRCSA-N 1 0 293.455 2.596 20 70 CFIDRO CC(C)(C)CC[NH2+][C@@H](CC(N)=O)C1CCCCC1 ZINC000159752843 322327439 /nfs/dbraw/zinc/32/74/39/322327439.db2.gz QFCVGZYAGZFHKA-ZDUSSCGKSA-N 1 0 254.418 2.837 20 70 CFIDRO CC(C)c1ccc(CC2CC[NH+]([C@H](C)C(N)=O)CC2)cc1 ZINC000159950460 322331133 /nfs/dbraw/zinc/33/11/33/322331133.db2.gz LYXNLDHCOJLDIC-CQSZACIVSA-N 1 0 288.435 2.938 20 70 CFIDRO COCC[C@H](C)[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000160033653 322331997 /nfs/dbraw/zinc/33/19/97/322331997.db2.gz CRDYNGKKXDZFDX-LBPRGKRZSA-N 1 0 296.377 2.665 20 70 CFIDRO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H]1CC1(C)C ZINC000160081112 322332421 /nfs/dbraw/zinc/33/24/21/322332421.db2.gz OZGNKFYRGIMDDB-QWHCGFSZSA-N 1 0 254.418 2.659 20 70 CFIDRO CC[C@@H](C)N(C)CC[NH2+][C@H](COC)Cc1ccccc1 ZINC000160107533 322332882 /nfs/dbraw/zinc/33/28/82/322332882.db2.gz UZMBQZSYZSAOMR-WBVHZDCISA-N 1 0 278.440 2.564 20 70 CFIDRO CCSCC[C@H](C)[NH2+]C[C@@H](O)COc1ccccc1 ZINC000160099948 322333156 /nfs/dbraw/zinc/33/31/56/322333156.db2.gz SUWQFNNSCBONCY-UONOGXRCSA-N 1 0 283.437 2.548 20 70 CFIDRO C[NH+]1CCC(NC(=O)C[C@H]2CCCC(C)(C)C2)CC1 ZINC000160243768 322335190 /nfs/dbraw/zinc/33/51/90/322335190.db2.gz BDZCMGIEYCOBHP-CYBMUJFWSA-N 1 0 266.429 2.803 20 70 CFIDRO C[C@H](C(=O)NCCC1=CCCC1)[NH+]1CCCCCC1 ZINC000160233676 322335251 /nfs/dbraw/zinc/33/52/51/322335251.db2.gz QSJKJNLWWKASSB-CQSZACIVSA-N 1 0 264.413 2.868 20 70 CFIDRO CC[C@H](C[NH2+][C@@H](C)[C@@H]1CCOC1)Oc1ccccc1F ZINC000160307731 322336062 /nfs/dbraw/zinc/33/60/62/322336062.db2.gz BORYMYOKGVMJDO-BFHYXJOUSA-N 1 0 281.371 2.998 20 70 CFIDRO CS[C@H](C)CC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000160506805 322339091 /nfs/dbraw/zinc/33/90/91/322339091.db2.gz WLWXRHWGQHXESL-LLVKDONJSA-N 1 0 272.458 2.507 20 70 CFIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C1CCCCC1 ZINC000160541548 322339666 /nfs/dbraw/zinc/33/96/66/322339666.db2.gz ODRGLHQDXAWWMB-OAHLLOKOSA-N 1 0 266.429 2.803 20 70 CFIDRO CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@@H](C)SC ZINC000160645125 322340521 /nfs/dbraw/zinc/34/05/21/322340521.db2.gz UCGWVCLAGCYFRS-QWHCGFSZSA-N 1 0 274.474 2.755 20 70 CFIDRO Cc1ccc(O)c(C[N@H+](C)Cc2ccc(F)cc2)n1 ZINC000161143481 322347974 /nfs/dbraw/zinc/34/79/74/322347974.db2.gz NOCFUSFOXQXISW-UHFFFAOYSA-N 1 0 260.312 2.867 20 70 CFIDRO Cc1c(C[NH2+][C@@H]2CCc3c2cccc3F)cnn1C ZINC000161217837 322349358 /nfs/dbraw/zinc/34/93/58/322349358.db2.gz NUMZPXPWXNWXBO-OAHLLOKOSA-N 1 0 259.328 2.645 20 70 CFIDRO C[C@@H]1CN(CCC[NH+]2CCCCC2)C[C@@H](C)S1 ZINC000161379696 322350945 /nfs/dbraw/zinc/35/09/45/322350945.db2.gz SCBXEXUINDNAGM-ZIAGYGMSSA-N 1 0 256.459 2.688 20 70 CFIDRO COc1cc(C[NH2+]C2CCC(NC(C)=O)CC2)ccc1C ZINC000161422236 322351404 /nfs/dbraw/zinc/35/14/04/322351404.db2.gz LQHGGZLOYCISGZ-UHFFFAOYSA-N 1 0 290.407 2.541 20 70 CFIDRO Cc1cc(C(=O)NCC(C)(C)[NH+](C)C)c(Cl)cc1F ZINC000161421505 322351531 /nfs/dbraw/zinc/35/15/31/322351531.db2.gz QAKMWDNFTOWLSF-UHFFFAOYSA-N 1 0 286.778 2.858 20 70 CFIDRO C[C@@H]1CCC[C@H](C(=O)NCC2([NH3+])CCCCC2)C1 ZINC000159654267 533817011 /nfs/dbraw/zinc/81/70/11/533817011.db2.gz MYOMAXNKNHGKHH-OLZOCXBDSA-N 1 0 252.402 2.591 20 70 CFIDRO C[C@H](O)C(C)(C)[NH2+]Cc1ccc(Br)cc1 ZINC000160625693 534046265 /nfs/dbraw/zinc/04/62/65/534046265.db2.gz JIWPVUVXPYRPBH-VIFPVBQESA-N 1 0 272.186 2.698 20 70 CFIDRO Brc1cncc(C[NH2+]C[C@@H]2CCCS2)c1 ZINC000160589092 518230717 /nfs/dbraw/zinc/23/07/17/518230717.db2.gz GHOSFXCHXRUZDF-NSHDSACASA-N 1 0 287.226 2.829 20 70 CFIDRO CC(=O)NC1CCC([NH2+]CCc2ccc(C)cc2C)CC1 ZINC000161371715 519645002 /nfs/dbraw/zinc/64/50/02/519645002.db2.gz NJYLMTVDJYWYNY-UHFFFAOYSA-N 1 0 288.435 2.883 20 70 CFIDRO CC(C)CC[C@@](C)(O)C[NH2+][C@@H](C)C1CCOCC1 ZINC000159444099 519688070 /nfs/dbraw/zinc/68/80/70/519688070.db2.gz VIWLMNSOTCAGFX-DZGCQCFKSA-N 1 0 257.418 2.578 20 70 CFIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@@H]1c1ccco1 ZINC000160554034 519722617 /nfs/dbraw/zinc/72/26/17/519722617.db2.gz BGNFEKKQSCYLMS-ILXRZTDVSA-N 1 0 290.407 2.620 20 70 CFIDRO CC(C)OCCC[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000160279920 519762548 /nfs/dbraw/zinc/76/25/48/519762548.db2.gz FJOFCDMXJSXZCH-INIZCTEOSA-N 1 0 262.397 2.988 20 70 CFIDRO CCOC[C@@H]1CCC[N@H+](Cc2cnc3ccccn23)C1 ZINC000160410874 520115871 /nfs/dbraw/zinc/11/58/71/520115871.db2.gz ACWFKFZXCKRKFC-CQSZACIVSA-N 1 0 273.380 2.583 20 70 CFIDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2cnc3ccccn23)C1(C)C ZINC000160569797 520407825 /nfs/dbraw/zinc/40/78/25/520407825.db2.gz AGFVRXUSVUMGFY-LSDHHAIUSA-N 1 0 287.407 2.970 20 70 CFIDRO CCO[C@H]1C[C@@H]([NH2+]Cc2cnn3ccccc23)C1(C)C ZINC000217871331 520549509 /nfs/dbraw/zinc/54/95/09/520549509.db2.gz GGKBAJIKXNLARV-CABCVRRESA-N 1 0 273.380 2.628 20 70 CFIDRO CCO[C@H]1C[C@H]([NH2+]Cc2cc(OC)ccc2OC)C1(C)C ZINC000217893916 520576117 /nfs/dbraw/zinc/57/61/17/520576117.db2.gz NTRVHCLJYIFGES-HOTGVXAUSA-N 1 0 293.407 2.997 20 70 CFIDRO CCC[C@@H](C)CC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161360277 520617458 /nfs/dbraw/zinc/61/74/58/520617458.db2.gz LTCCZWMUXRZTRM-HABKJSAYSA-N 1 0 252.402 2.554 20 70 CFIDRO CCCCOc1ccc(C(=O)N(C)[C@@H](C[NH3+])C2CC2)cc1 ZINC000159894692 520862438 /nfs/dbraw/zinc/86/24/38/520862438.db2.gz LNCDTWOTZKIMON-INIZCTEOSA-N 1 0 290.407 2.675 20 70 CFIDRO CCCCSCCC(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000159900683 520949982 /nfs/dbraw/zinc/94/99/82/520949982.db2.gz XGSOTPATMHBLMV-AWEZNQCLSA-N 1 0 286.485 2.758 20 70 CFIDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](CCO)CSC)cc1 ZINC000160403831 521227212 /nfs/dbraw/zinc/22/72/12/521227212.db2.gz GARFCEFOFIUSCH-OCCSQVGLSA-N 1 0 283.437 2.850 20 70 CFIDRO CCOc1ccccc1[C@H](C)[NH2+]Cc1cnn(C)c1C ZINC000161309753 521584034 /nfs/dbraw/zinc/58/40/34/521584034.db2.gz BITTZBZWRRFBPX-LBPRGKRZSA-N 1 0 273.380 2.978 20 70 CFIDRO CC[C@H](C)c1cc(C(=O)NC[C@@H](C)C[NH+]2CCCC2)on1 ZINC000161078111 522027647 /nfs/dbraw/zinc/02/76/47/522027647.db2.gz OFHDRUSYYIJBFG-OLZOCXBDSA-N 1 0 293.411 2.650 20 70 CFIDRO COC[C@@H]([NH2+]C[C@H](C)COCc1ccccc1)C1CC1 ZINC000161316239 522357155 /nfs/dbraw/zinc/35/71/55/522357155.db2.gz UXMNLZOTNJQMQX-WMLDXEAASA-N 1 0 277.408 2.854 20 70 CFIDRO CC[C@@H](COC)[NH2+]CCCc1nc2c(s1)CCCC2 ZINC000160627043 522591787 /nfs/dbraw/zinc/59/17/87/522591787.db2.gz JWVROSKKEVSWJG-LBPRGKRZSA-N 1 0 282.453 2.969 20 70 CFIDRO CN(CCC[NH+]1CCCCC1)[C@H]1CCCc2c1cnn2C ZINC000161448223 522750619 /nfs/dbraw/zinc/75/06/19/522750619.db2.gz KUSFHIPDUSDHDV-INIZCTEOSA-N 1 0 290.455 2.605 20 70 CFIDRO CC[C@@H]([NH2+][C@H](CCO)c1ccccc1)[C@H]1CCOC1 ZINC000161068000 522942053 /nfs/dbraw/zinc/94/20/53/522942053.db2.gz VIOZBXJLDJHQIX-ARFHVFGLSA-N 1 0 263.381 2.515 20 70 CFIDRO COc1cc([C@H](C)[NH2+][C@H](CCO)C(C)C)ccc1F ZINC000218261961 522947220 /nfs/dbraw/zinc/94/72/20/522947220.db2.gz XHQHLKNLJMAONQ-SMDDNHRTSA-N 1 0 269.360 2.892 20 70 CFIDRO CO[C@@]1(C)C[C@H]([N@H+](C)Cc2cnc3ccccn23)C1(C)C ZINC000160899500 523813414 /nfs/dbraw/zinc/81/34/14/523813414.db2.gz GRVSLKZOXLOPRS-YOEHRIQHSA-N 1 0 287.407 2.970 20 70 CFIDRO CN(C(=O)c1ccc(C(F)(F)F)cc1)[C@@H](C[NH3+])C1CC1 ZINC000159856025 523930108 /nfs/dbraw/zinc/93/01/08/523930108.db2.gz BLAZZJNMWYKESI-LBPRGKRZSA-N 1 0 286.297 2.515 20 70 CFIDRO CN(C)C1(C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)CCCC1 ZINC000160687613 524037675 /nfs/dbraw/zinc/03/76/75/524037675.db2.gz SEODJEKYBDVQNG-ZNMIVQPWSA-N 1 0 280.456 2.654 20 70 CFIDRO COc1ccccc1-c1nnc(C[N@H+](C)[C@H](C)C2CC2)o1 ZINC000159653089 524286330 /nfs/dbraw/zinc/28/63/30/524286330.db2.gz LURGHBPWFSSSGB-LLVKDONJSA-N 1 0 287.363 2.976 20 70 CFIDRO Cc1cccc([C@@H](C)[NH2+][C@H](C)C(=O)NCC(F)(F)F)c1 ZINC000159837811 524832344 /nfs/dbraw/zinc/83/23/44/524832344.db2.gz APAYRXPDPBPQEB-GHMZBOCLSA-N 1 0 288.313 2.713 20 70 CFIDRO Cc1cccc([C@H]2CCC[N@H+]2C[C@H](O)COCC(C)C)n1 ZINC000160111448 524894500 /nfs/dbraw/zinc/89/45/00/524894500.db2.gz GZYOVYZHTVKBKN-DOTOQJQBSA-N 1 0 292.423 2.560 20 70 CFIDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)c1nc(C(C)(C)C)ns1 ZINC000159860698 524896108 /nfs/dbraw/zinc/89/61/08/524896108.db2.gz RJMZSMQZZUPTIL-MNOVXSKESA-N 1 0 282.457 2.612 20 70 CFIDRO COc1ccc([C@H](C)[NH2+]CC2(CO)CCCC2)cc1OC ZINC000160085236 525316979 /nfs/dbraw/zinc/31/69/79/525316979.db2.gz MROLHIGEPCXAMG-ZDUSSCGKSA-N 1 0 293.407 2.907 20 70 CFIDRO Cc1cc([C@@H](C)[NH2+][C@@H](C)C(=O)NCC(F)(F)F)c(C)o1 ZINC000159796635 525471255 /nfs/dbraw/zinc/47/12/55/525471255.db2.gz UFYSGTAIEJFJFJ-BDAKNGLRSA-N 1 0 292.301 2.614 20 70 CFIDRO Cc1cc([C@@H](C)[NH2+][C@H](C)C(=O)NCC(F)(F)F)c(C)o1 ZINC000159796884 525473291 /nfs/dbraw/zinc/47/32/91/525473291.db2.gz UFYSGTAIEJFJFJ-RKDXNWHRSA-N 1 0 292.301 2.614 20 70 CFIDRO C[C@@H]([NH2+]Cc1cc2ccccc2o1)C(=O)N1CCCC1 ZINC000159700130 525515747 /nfs/dbraw/zinc/51/57/47/525515747.db2.gz QDHFDWFTNXZQDK-GFCCVEGCSA-N 1 0 272.348 2.533 20 70 CFIDRO Cc1ccc([C@@H]2COCCN2CCC[NH+]2CCCCC2)o1 ZINC000161149261 525842098 /nfs/dbraw/zinc/84/20/98/525842098.db2.gz NKOBEYVCZMXMST-INIZCTEOSA-N 1 0 292.423 2.837 20 70 CFIDRO C[C@H](CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccccc1F ZINC000160458058 526234718 /nfs/dbraw/zinc/23/47/18/526234718.db2.gz NIZCEMRQVXCVDT-MCIONIFRSA-N 1 0 290.382 2.672 20 70 CFIDRO Cc1ccc2cccc(C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)c2n1 ZINC000159602507 526235083 /nfs/dbraw/zinc/23/50/83/526235083.db2.gz XQELQURHZLVNIG-GASCZTMLSA-N 1 0 295.386 2.510 20 70 CFIDRO NC(=O)C1CCC([NH2+]Cc2coc3ccccc23)CC1 ZINC000161088661 526854834 /nfs/dbraw/zinc/85/48/34/526854834.db2.gz YUSYTNKOVJCFBL-UHFFFAOYSA-N 1 0 272.348 2.567 20 70 CFIDRO Cc1nc2ccccn2c1C[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000159563308 527177622 /nfs/dbraw/zinc/17/76/22/527177622.db2.gz BYTDXKDZRCUVCO-OAHLLOKOSA-N 1 0 295.390 2.676 20 70 CFIDRO [NH3+]Cc1ccc(C(=O)NC[C@@H]2CCc3ccccc32)cc1 ZINC000159729735 527251787 /nfs/dbraw/zinc/25/17/87/527251787.db2.gz KCRKCUQZHDWSIA-INIZCTEOSA-N 1 0 280.371 2.605 20 70 CFIDRO Cc1nn(C)c(C)c1C[NH2+]Cc1cccc2cc[nH]c21 ZINC000218172017 527637090 /nfs/dbraw/zinc/63/70/90/527637090.db2.gz JLIMFHIFNFQCRF-UHFFFAOYSA-N 1 0 268.364 2.808 20 70 CFIDRO CCCCS[C@@H](C)C(=O)NCC1([NH3+])CCCCC1 ZINC000159536422 528738847 /nfs/dbraw/zinc/73/88/47/528738847.db2.gz ISCVKBUETKCFMJ-LBPRGKRZSA-N 1 0 272.458 2.686 20 70 CFIDRO CC[C@@H]1CCC[C@@H]1NC(=O)N(CC[NH+](C)C)C(C)C ZINC000159596506 529310060 /nfs/dbraw/zinc/31/00/60/529310060.db2.gz QJDQYFWSHDUCDD-KGLIPLIRSA-N 1 0 269.433 2.547 20 70 CFIDRO CC[C@@H](C)C[C@@H](C)NC(=O)N1CCC[N@H+](CC)CC1 ZINC000159919930 529333342 /nfs/dbraw/zinc/33/33/42/529333342.db2.gz YATOMHLFGCRKBE-ZIAGYGMSSA-N 1 0 269.433 2.548 20 70 CFIDRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1coc2ccccc12 ZINC000159550642 545586929 /nfs/dbraw/zinc/58/69/29/545586929.db2.gz LUSBFYHXWBUHTD-NEPJUHHUSA-N 1 0 272.348 2.519 20 70 CFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(C)cc1)CC2 ZINC000160547901 282126988 /nfs/dbraw/zinc/12/69/88/282126988.db2.gz WIWBNOMEQAFQGQ-IUODEOHRSA-N 1 0 270.380 2.561 20 70 CFIDRO C[NH2+]C[C@H]1CCCN(C(=O)C2C3CC4CC(C3)CC2C4)C1 ZINC000160195102 290719245 /nfs/dbraw/zinc/71/92/45/290719245.db2.gz BBZRUDWMUVGTMN-XXXXFFMBSA-N 1 0 290.451 2.517 20 70 CFIDRO Cc1cc(C(=O)NCC2([NH3+])CCCCC2)nc2ccccc12 ZINC000159487826 232244301 /nfs/dbraw/zinc/24/43/01/232244301.db2.gz BOYNSEDQGLRVCZ-UHFFFAOYSA-N 1 0 297.402 2.935 20 70 CFIDRO Cc1ccc(C)c([C@H](C)N(C)C(=O)C[C@H]2CCC[NH2+]2)c1 ZINC000159970590 232246549 /nfs/dbraw/zinc/24/65/49/232246549.db2.gz RTDKPMWLGXVSBI-LSDHHAIUSA-N 1 0 274.408 2.965 20 70 CFIDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)CCC(C)(C)C ZINC000159765333 348014026 /nfs/dbraw/zinc/01/40/26/348014026.db2.gz YQLNXBRPKLVDKB-CYBMUJFWSA-N 1 0 254.418 2.803 20 70 CFIDRO CSCCCCNC(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000159722556 348014141 /nfs/dbraw/zinc/01/41/41/348014141.db2.gz XYRPRPVXZMMHBK-GFCCVEGCSA-N 1 0 286.828 2.599 20 70 CFIDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)CCC(C)(C)C ZINC000159765481 348014417 /nfs/dbraw/zinc/01/44/17/348014417.db2.gz YQLNXBRPKLVDKB-ZDUSSCGKSA-N 1 0 254.418 2.803 20 70 CFIDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)c1ccsc1 ZINC000159770357 348014450 /nfs/dbraw/zinc/01/44/50/348014450.db2.gz SJWLVQRQELUKBZ-JSGCOSHPSA-N 1 0 280.437 2.842 20 70 CFIDRO CCCC[N@H+](C)CCNC(=O)[C@H](C)Cc1ccccc1F ZINC000159951536 348015336 /nfs/dbraw/zinc/01/53/36/348015336.db2.gz PFAQKNLXKKNLSB-CQSZACIVSA-N 1 0 294.414 2.852 20 70 CFIDRO C[C@H](CC(=O)NCCCC(C)(C)C)[C@H]1CCC[NH2+]C1 ZINC000160538505 348019143 /nfs/dbraw/zinc/01/91/43/348019143.db2.gz JBKAQMIXBQYJAQ-KGLIPLIRSA-N 1 0 268.445 2.955 20 70 CFIDRO CC(C)[NH2+]CCC(=O)NCC(C)(C)Cc1ccccc1 ZINC000161075773 348023175 /nfs/dbraw/zinc/02/31/75/348023175.db2.gz RNSOFZFHMINDDF-UHFFFAOYSA-N 1 0 276.424 2.760 20 70 CFIDRO CCCN(CC)CC[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000217645178 348165274 /nfs/dbraw/zinc/16/52/74/348165274.db2.gz SQVAAEQNTDZKKQ-UHFFFAOYSA-N 1 0 259.397 2.989 20 70 CFIDRO C[C@H]([NH2+]CC1C2CC3CC(C2)CC1C3)c1nncn1C ZINC000216824590 539624060 /nfs/dbraw/zinc/62/40/60/539624060.db2.gz ZMSJQRNMZDZVHZ-GFSREQAASA-N 1 0 274.412 2.538 20 70 CFIDRO Fc1cccc(C[NH2+][C@H]2[C@H]3CCO[C@@H]3C23CCC3)c1 ZINC000159598877 188433992 /nfs/dbraw/zinc/43/39/92/188433992.db2.gz RZNLICIQXPIXKV-ILXRZTDVSA-N 1 0 261.340 2.873 20 70 CFIDRO C[C@H](NC(=O)C[C@H]1CCC[NH2+]1)c1ncc(-c2ccccc2)o1 ZINC000160480074 188475342 /nfs/dbraw/zinc/47/53/42/188475342.db2.gz SKNUYPIKLTUTER-GXTWGEPZSA-N 1 0 299.374 2.661 20 70 CFIDRO C[C@@H]([NH2+][C@@H](CCCO)c1ccccc1)[C@@H]1CCOC1 ZINC000160720180 188488197 /nfs/dbraw/zinc/48/81/97/188488197.db2.gz CGMAOMZOTHXAQM-BMFZPTHFSA-N 1 0 263.381 2.515 20 70 CFIDRO C[NH2+][C@H]1CCN(C(=O)c2oc3c(c2C)c(C)ccc3C)C1 ZINC000160798651 188491894 /nfs/dbraw/zinc/49/18/94/188491894.db2.gz FJQODIQIDIRTGA-ZDUSSCGKSA-N 1 0 286.375 2.792 20 70 CFIDRO [NH3+]CCCCCCC(=O)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000161218375 188515723 /nfs/dbraw/zinc/51/57/23/188515723.db2.gz UEVTXBZHGFFEOD-INIZCTEOSA-N 1 0 296.455 2.846 20 70 CFIDRO C[NH2+]C[C@H]1CCCN1C(=O)/C=C/c1ccccc1Cl ZINC000161248919 188517037 /nfs/dbraw/zinc/51/70/37/188517037.db2.gz CWYVJVMAYBGNNA-MMQHEFTJSA-N 1 0 278.783 2.564 20 70 CFIDRO CCC(CC)(C[NH3+])C(=O)Nc1cc(F)c(OC)cc1F ZINC000161252242 188518201 /nfs/dbraw/zinc/51/82/01/188518201.db2.gz KKWVGVVRSPZUHZ-UHFFFAOYSA-N 1 0 286.322 2.677 20 70 CFIDRO C[NH2+]C[C@H]1CCCN1C(=O)CSc1ccccc1Cl ZINC000161267136 188518769 /nfs/dbraw/zinc/51/87/69/188518769.db2.gz BJHKPAQLQPHUHN-LLVKDONJSA-N 1 0 298.839 2.643 20 70 CFIDRO CC[NH+](CC)[C@@H](CNC(=O)C[C@@H](C)SC)c1ccco1 ZINC000161387620 188524531 /nfs/dbraw/zinc/52/45/31/188524531.db2.gz QAZGGRDPMLKXGH-OLZOCXBDSA-N 1 0 298.452 2.920 20 70 CFIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2ccccc2OC2CCC2)C1 ZINC000161012880 540686411 /nfs/dbraw/zinc/68/64/11/540686411.db2.gz GBKYYHARQYGWKC-OLZOCXBDSA-N 1 0 288.391 2.618 20 70 CFIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2ccccc2OC2CCC2)C1 ZINC000161012506 540686597 /nfs/dbraw/zinc/68/65/97/540686597.db2.gz GBKYYHARQYGWKC-QWHCGFSZSA-N 1 0 288.391 2.618 20 70 CFIDRO CC(C)COc1cccc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000161359467 540692323 /nfs/dbraw/zinc/69/23/23/540692323.db2.gz SJBIITWLCSRIIH-CABCVRRESA-N 1 0 290.407 2.721 20 70 CFIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2cc(Cl)ccc2Cl)C1 ZINC000161182617 540690917 /nfs/dbraw/zinc/69/09/17/540690917.db2.gz MBBGGKXSXFJAPO-VHSXEESVSA-N 1 0 287.190 2.993 20 70 CFIDRO Cc1nc(-c2ccco2)ccc1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000161208728 540691065 /nfs/dbraw/zinc/69/10/65/540691065.db2.gz FOMGANHMLDAMEF-OLZOCXBDSA-N 1 0 299.374 2.650 20 70 CFIDRO CN(Cc1cc2ccccc2o1)C(=O)CC1([NH3+])CCC1 ZINC000161417174 540693422 /nfs/dbraw/zinc/69/34/22/540693422.db2.gz OBBQMMQNSNCXGF-UHFFFAOYSA-N 1 0 272.348 2.663 20 70 CFIDRO FC(F)(F)c1nc2ccccc2n1C[C@@H]1CC[NH2+]C1 ZINC000218350819 541029453 /nfs/dbraw/zinc/02/94/53/541029453.db2.gz ICXWZVOEVZFXJS-SECBINFHSA-N 1 0 269.270 2.665 20 70 CFIDRO C[C@H]([NH2+][C@@H](CCCO)c1ccccc1)[C@H]1CCOC1 ZINC000160720316 299348320 /nfs/dbraw/zinc/34/83/20/299348320.db2.gz CGMAOMZOTHXAQM-BPUTZDHNSA-N 1 0 263.381 2.515 20 70 CFIDRO CCO[C@H]1CCC[N@H+](Cc2c(C)nc3ccccn32)C1 ZINC000160528670 541431835 /nfs/dbraw/zinc/43/18/35/541431835.db2.gz DVLADUOVBUAMRE-AWEZNQCLSA-N 1 0 273.380 2.644 20 70 CFIDRO CC[NH+](CC)[C@@H]1CCN(C(=O)C[C@H](C)c2ccncc2)C1 ZINC000160824690 541479605 /nfs/dbraw/zinc/47/96/05/541479605.db2.gz LHSXUSYXTYTXBS-GOEBONIOSA-N 1 0 289.423 2.518 20 70 CFIDRO CCC(CC)(C[NH3+])C(=O)Nc1ccc(F)c(OC)c1 ZINC000160225366 378757635 /nfs/dbraw/zinc/75/76/35/378757635.db2.gz BKIVHFYDLNZXFU-UHFFFAOYSA-N 1 0 268.332 2.538 20 70 CFIDRO C[C@@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)c1ccco1 ZINC000160224394 378757721 /nfs/dbraw/zinc/75/77/21/378757721.db2.gz RUNXYMQBZWQZJN-GFCCVEGCSA-N 1 0 288.347 2.828 20 70 CFIDRO CCC[C@H]([NH3+])C(=O)N1CCC[C@@](C)(c2ccccc2)C1 ZINC000160104447 378748067 /nfs/dbraw/zinc/74/80/67/378748067.db2.gz IBZDURDEMMPUNE-DOTOQJQBSA-N 1 0 274.408 2.694 20 70 CFIDRO [NH3+]CCCNC(=O)C1(Cc2cccc(Cl)c2)CCCC1 ZINC000160089193 378748315 /nfs/dbraw/zinc/74/83/15/378748315.db2.gz RJXAKHYGDNJLQF-UHFFFAOYSA-N 1 0 294.826 2.908 20 70 CFIDRO COc1cc(-c2ccccc2)sc1C(=O)NCCC[NH3+] ZINC000160102349 378748538 /nfs/dbraw/zinc/74/85/38/378748538.db2.gz CTPZCVVAMRXBHP-UHFFFAOYSA-N 1 0 290.388 2.502 20 70 CFIDRO C[C@H](CC(=O)NC[C@H]1CC[N@H+](C)C1)c1ccc(F)cc1F ZINC000160100790 378748685 /nfs/dbraw/zinc/74/86/85/378748685.db2.gz MLTXYKXZSJLOCB-VXGBXAGGSA-N 1 0 296.361 2.526 20 70 CFIDRO OCC1([NH2+]Cc2ccc(F)c(C(F)(F)F)c2)CCC1 ZINC000160160275 378752376 /nfs/dbraw/zinc/75/23/76/378752376.db2.gz BESVDYDTJYYBEM-UHFFFAOYSA-N 1 0 277.261 2.849 20 70 CFIDRO CCOC1CC(Nc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000160156210 378752576 /nfs/dbraw/zinc/75/25/76/378752576.db2.gz JTQHRGUGKRFWJH-UHFFFAOYSA-N 1 0 278.396 2.606 20 70 CFIDRO C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)C[NH2+]CC1CC1 ZINC000159445412 378710404 /nfs/dbraw/zinc/71/04/04/378710404.db2.gz MMANFZWKSDBAMX-GFCCVEGCSA-N 1 0 294.826 2.729 20 70 CFIDRO Cc1ccsc1[C@@H]1C[C@H]1C(=O)NCC(C)(C)[NH+](C)C ZINC000159534760 378715945 /nfs/dbraw/zinc/71/59/45/378715945.db2.gz JXWUQVZIRMOCHX-VXGBXAGGSA-N 1 0 280.437 2.616 20 70 CFIDRO O=C1CCCN1CCC[NH2+][C@H]1CCCc2ccccc21 ZINC000159559851 378716449 /nfs/dbraw/zinc/71/64/49/378716449.db2.gz IZNPVSAEXMTJRU-INIZCTEOSA-N 1 0 272.392 2.666 20 70 CFIDRO Fc1cccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1 ZINC000159598753 378718501 /nfs/dbraw/zinc/71/85/01/378718501.db2.gz RZNLICIQXPIXKV-KFWWJZLASA-N 1 0 261.340 2.873 20 70 CFIDRO Cc1oc2ccccc2c1C[N@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000159597091 378718642 /nfs/dbraw/zinc/71/86/42/378718642.db2.gz PVZLWOLTHJSFTR-WCQYABFASA-N 1 0 286.375 2.827 20 70 CFIDRO Cc1n[nH]c(C)c1C[NH2+][C@H](C)c1ccc([S@](C)=O)cc1 ZINC000159589148 378719177 /nfs/dbraw/zinc/71/91/77/378719177.db2.gz LZWMNITWLGYTJZ-CFMSYZGJSA-N 1 0 291.420 2.615 20 70 CFIDRO Cc1cc(C(=O)NCC2([NH3+])CCCCC2)ccc1F ZINC000159653392 378722451 /nfs/dbraw/zinc/72/24/51/378722451.db2.gz ZQVQLRVPMCCCTO-UHFFFAOYSA-N 1 0 264.344 2.526 20 70 CFIDRO COc1ccccc1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000159657461 378723549 /nfs/dbraw/zinc/72/35/49/378723549.db2.gz IIMUARZOOYYOEX-IMJJTQAJSA-N 1 0 273.376 2.742 20 70 CFIDRO C[C@@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1ccco1 ZINC000160198826 378756412 /nfs/dbraw/zinc/75/64/12/378756412.db2.gz JUNQQDFPKUFGIV-GFCCVEGCSA-N 1 0 288.347 2.828 20 70 CFIDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)c1cccs1 ZINC000159769660 378728573 /nfs/dbraw/zinc/72/85/73/378728573.db2.gz PRMAULQQNISJRA-QWHCGFSZSA-N 1 0 280.437 2.842 20 70 CFIDRO Fc1cccc(C[N@H+](CCn2ccnc2)C2CC2)c1 ZINC000159762573 378729315 /nfs/dbraw/zinc/72/93/15/378729315.db2.gz OJIQIFLQZNBOEO-UHFFFAOYSA-N 1 0 259.328 2.687 20 70 CFIDRO COc1ccccc1CC1CC[NH+](CCn2ccnc2)CC1 ZINC000159792594 378730259 /nfs/dbraw/zinc/73/02/59/378730259.db2.gz GVGOTMARWSWHNG-UHFFFAOYSA-N 1 0 299.418 2.846 20 70 CFIDRO C[C@@H](C[NH2+][C@@H](C)c1cnn(C)c1)N1CCc2ccccc2C1 ZINC000159809008 378731615 /nfs/dbraw/zinc/73/16/15/378731615.db2.gz DWCYNWDWOZWLKH-GJZGRUSLSA-N 1 0 298.434 2.518 20 70 CFIDRO Fc1cccc(CC[N@H+](CCn2ccnc2)C2CC2)c1 ZINC000159828589 378732669 /nfs/dbraw/zinc/73/26/69/378732669.db2.gz JCWHVERZZFTDFQ-UHFFFAOYSA-N 1 0 273.355 2.729 20 70 CFIDRO CSC[C@@H](CCO)[NH2+][C@H]1CCCOc2ccc(C)cc21 ZINC000160275984 378760534 /nfs/dbraw/zinc/76/05/34/378760534.db2.gz JDKKXKGZPVVZEI-HIFRSBDPSA-N 1 0 295.448 2.912 20 70 CFIDRO CC(C)[C@@H](C(=O)N[C@H]1CCCc2sccc21)[NH+](C)C ZINC000160265149 378760717 /nfs/dbraw/zinc/76/07/17/378760717.db2.gz LEVGHOCHFRXUQY-JSGCOSHPSA-N 1 0 280.437 2.828 20 70 CFIDRO Cc1ccc(C(=O)CCN2CCO[C@H](C)[C@@H]2C)cc1 ZINC000160283320 378762172 /nfs/dbraw/zinc/76/21/72/378762172.db2.gz HPNTXQGRFCHZSP-UONOGXRCSA-N 1 0 261.365 2.677 20 70 CFIDRO COc1cccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000160795351 378799601 /nfs/dbraw/zinc/79/96/01/378799601.db2.gz DGRQNTBPMNIDNF-WBVHZDCISA-N 1 0 275.392 2.822 20 70 CFIDRO CC(C)OC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000160328558 378764182 /nfs/dbraw/zinc/76/41/82/378764182.db2.gz DUDVPIGAOGZOGZ-UHFFFAOYSA-N 1 0 276.380 2.786 20 70 CFIDRO CC/C(=C/C(=O)N1CCC[C@H]1C[NH3+])c1ccc(C)cc1 ZINC000160399254 378768964 /nfs/dbraw/zinc/76/89/64/378768964.db2.gz NODHRZCALZUFDK-QBOMHBFWSA-N 1 0 272.392 2.738 20 70 CFIDRO C[C@]1(CNc2cnccn2)CCC[N@@H+]1Cc1ccccc1 ZINC000160798040 378799946 /nfs/dbraw/zinc/79/99/46/378799946.db2.gz OWSYWBOXCOBICJ-QGZVFWFLSA-N 1 0 282.391 2.943 20 70 CFIDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(-n3ccnc3)cc2)CCO1 ZINC000160491125 378776136 /nfs/dbraw/zinc/77/61/36/378776136.db2.gz CRHYMRCDBIXWQB-HNNXBMFYSA-N 1 0 285.391 2.920 20 70 CFIDRO Cc1cc(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)c(C)o1 ZINC000160486328 378776486 /nfs/dbraw/zinc/77/64/86/378776486.db2.gz IVAPWTHIYXTIIJ-CQSZACIVSA-N 1 0 278.396 2.747 20 70 CFIDRO C[C@@H](O)C(C)(C)[NH2+]Cc1cc(Br)cs1 ZINC000160618751 378786065 /nfs/dbraw/zinc/78/60/65/378786065.db2.gz SKSWLNLKNMONCN-SSDOTTSWSA-N 1 0 278.215 2.760 20 70 CFIDRO COC(C[N@H+](C)CCCOc1ccc(Cl)cc1)OC ZINC000160640922 378787311 /nfs/dbraw/zinc/78/73/11/378787311.db2.gz BTPXHSHGWDNMHB-UHFFFAOYSA-N 1 0 287.787 2.660 20 70 CFIDRO C[C@@H]([NH2+]CC(C)(C)O)c1ccc(F)cc1OC(F)F ZINC000160650779 378789629 /nfs/dbraw/zinc/78/96/29/378789629.db2.gz GOVPIJSXJWAQOC-MRVPVSSYSA-N 1 0 277.286 2.849 20 70 CFIDRO Cc1csc(CCCC[NH2+][C@@H](C)c2cnn(C)c2)n1 ZINC000160672504 378791781 /nfs/dbraw/zinc/79/17/81/378791781.db2.gz AEFBRJFUBNDMIU-LBPRGKRZSA-N 1 0 278.425 2.859 20 70 CFIDRO CC(C)COCC[NH2+][C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000160704387 378793608 /nfs/dbraw/zinc/79/36/08/378793608.db2.gz ARKIENYFKGLQCJ-YJYMSZOUSA-N 1 0 283.437 2.747 20 70 CFIDRO C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)C1CC[NH2+]CC1 ZINC000161244447 378832975 /nfs/dbraw/zinc/83/29/75/378832975.db2.gz XAEZPPXQMHQEBI-DOMZBBRYSA-N 1 0 290.382 2.530 20 70 CFIDRO CC(C)C1CCN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000161270041 378834514 /nfs/dbraw/zinc/83/45/14/378834514.db2.gz OTWNMCMDMBDIHR-VHRNVKJDSA-N 1 0 278.440 2.802 20 70 CFIDRO Cc1ccc([C@H](C)C[NH2+][C@H](C(N)=O)c2ccccc2)cc1 ZINC000161051302 378817660 /nfs/dbraw/zinc/81/76/60/378817660.db2.gz XLARHNCQQOPUAI-PBHICJAKSA-N 1 0 282.387 2.915 20 70 CFIDRO CC(C)(C)Cc1cc(NC(=O)C2([NH3+])CCCCC2)n[nH]1 ZINC000161049534 378817846 /nfs/dbraw/zinc/81/78/46/378817846.db2.gz WBBGIJQVIUSBLN-UHFFFAOYSA-N 1 0 278.400 2.598 20 70 CFIDRO COc1ccc(C[NH2+]C(C)(C)[C@H](C)O)c(Cl)c1OC ZINC000161129919 378824641 /nfs/dbraw/zinc/82/46/41/378824641.db2.gz HRDOLZQFRLQRCA-VIFPVBQESA-N 1 0 287.787 2.606 20 70 CFIDRO CC[C@H](COC)[NH2+]Cc1cccc(C(=O)N[C@@H](C)CC)c1 ZINC000161136200 378825038 /nfs/dbraw/zinc/82/50/38/378825038.db2.gz LIDAHZLXTGUPEB-XJKSGUPXSA-N 1 0 292.423 2.730 20 70 CFIDRO CCC[C@H](C(=O)N[C@@H]1CCc2ccccc21)[NH+](C)C ZINC000161346193 378840529 /nfs/dbraw/zinc/84/05/29/378840529.db2.gz SOAOSLCAZKTZQQ-HUUCEWRRSA-N 1 0 260.381 2.520 20 70 CFIDRO Cc1noc(C)c1CC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000161340666 378840625 /nfs/dbraw/zinc/84/06/25/378840625.db2.gz BKENLGMKWOESLQ-GOSISDBHSA-N 1 0 299.418 2.823 20 70 CFIDRO Cc1cccc(C(=O)NC2CC[NH+](C(C)C)CC2)c1F ZINC000161417560 378846158 /nfs/dbraw/zinc/84/61/58/378846158.db2.gz ZWJDCJYIMFQRSI-UHFFFAOYSA-N 1 0 278.371 2.737 20 70 CFIDRO CC[C@@H]([NH2+]C1CCN(C)CC1)c1cccc(OC)c1 ZINC000161438875 378847958 /nfs/dbraw/zinc/84/79/58/378847958.db2.gz KEWKTEKEUWQCEO-MRXNPFEDSA-N 1 0 262.397 2.830 20 70 CFIDRO O=C(C[C@H]1CCC[NH2+]1)N(CC1CCC1)c1ccccc1 ZINC000161438928 378848412 /nfs/dbraw/zinc/84/84/12/378848412.db2.gz JZHAILVHSXUNFJ-OAHLLOKOSA-N 1 0 272.392 2.962 20 70 CFIDRO Cc1ncc([C@@H](C)[NH2+]C[C@H](CO)c2ccccc2)c(C)n1 ZINC000161469741 378849338 /nfs/dbraw/zinc/84/93/38/378849338.db2.gz KVGFVHFLAOLTLI-MLGOLLRUSA-N 1 0 285.391 2.520 20 70 CFIDRO C[C@@H]1CCN(C(=O)C[C@@H]2CCC[NH2+]2)[C@H]1c1cccc(F)c1 ZINC000161487810 378850743 /nfs/dbraw/zinc/85/07/43/378850743.db2.gz QBIRLYUXELQRFI-ISTRZQFTSA-N 1 0 290.382 2.877 20 70 CFIDRO CCOc1cc(Cl)ccc1NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000161503389 378852276 /nfs/dbraw/zinc/85/22/76/378852276.db2.gz WOGXARZSNWUASA-NSHDSACASA-N 1 0 282.771 2.819 20 70 CFIDRO O=C(Nc1cccc(C(F)(F)F)c1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000216653323 382784433 /nfs/dbraw/zinc/78/44/33/382784433.db2.gz AIHNJGNCAPXUGM-SKDRFNHKSA-N 1 0 299.296 2.531 20 70 CFIDRO C[N@H+](C[C@@H](O)c1cc2ccccc2o1)C[C@@H]1CCCCO1 ZINC000216951755 382785340 /nfs/dbraw/zinc/78/53/40/382785340.db2.gz ARGXHXHMTIBFAX-LSDHHAIUSA-N 1 0 289.375 2.967 20 70 CFIDRO CC[C@@H](C)[N@H+](C)CCNCc1c[nH]nc1-c1ccccc1 ZINC000217372064 382786174 /nfs/dbraw/zinc/78/61/74/382786174.db2.gz FXOQNGGYNUQLBH-CQSZACIVSA-N 1 0 286.423 2.897 20 70 CFIDRO CC[C@H](C)[N@H+](C)CCNCc1nc2ccccc2n1CC ZINC000217393166 382786561 /nfs/dbraw/zinc/78/65/61/382786561.db2.gz ALKPXDGFAKORKO-AWEZNQCLSA-N 1 0 288.439 2.876 20 70 CFIDRO C[C@H](CCc1ccco1)[NH2+][C@H]1CCN2CCCC[C@@H]12 ZINC000217697163 382787280 /nfs/dbraw/zinc/78/72/80/382787280.db2.gz GKBDPIIKYNCNDR-KBMXLJTQSA-N 1 0 262.397 2.817 20 70 CFIDRO COCCOc1ccc(N[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000218068322 382788733 /nfs/dbraw/zinc/78/87/33/382788733.db2.gz KNDIDPRHWPCAQP-JJRVBVJISA-N 1 0 292.423 2.852 20 70 CFIDRO CC[C@@H](C)N(C)CC[NH2+]Cc1cccc2[nH]ccc21 ZINC000218185117 382789436 /nfs/dbraw/zinc/78/94/36/382789436.db2.gz HYKWLBOINMIIFY-CYBMUJFWSA-N 1 0 259.397 2.988 20 70 CFIDRO CC[C@H](C)N(C)CC[NH2+]Cc1cccc2[nH]ccc21 ZINC000218185193 382789613 /nfs/dbraw/zinc/78/96/13/382789613.db2.gz HYKWLBOINMIIFY-ZDUSSCGKSA-N 1 0 259.397 2.988 20 70 CFIDRO CC(C)[C@@H](C[NH2+]Cc1nccn1C)c1ccccc1 ZINC000218233720 382790081 /nfs/dbraw/zinc/79/00/81/382790081.db2.gz HFDNWKKCJACPKT-OAHLLOKOSA-N 1 0 257.381 2.950 20 70 CFIDRO COc1ccc([C@@H]2CC[N@H+](CCOCC3CC3)C2)cc1 ZINC000160032500 533145592 /nfs/dbraw/zinc/14/55/92/533145592.db2.gz SUCLLBVUBVYHDL-MRXNPFEDSA-N 1 0 275.392 2.911 20 70 CFIDRO CC(C)CC[C@H](NC(=O)[C@H]1CCC[NH2+]C1)C(C)(C)C ZINC000160072671 394366123 /nfs/dbraw/zinc/36/61/23/394366123.db2.gz QPLYHBOLTODAFA-KBPBESRZSA-N 1 0 268.445 2.953 20 70 CFIDRO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000160344702 394366632 /nfs/dbraw/zinc/36/66/32/394366632.db2.gz QTJYJCOCLKCQCT-LNSITVRQSA-N 1 0 290.407 2.778 20 70 CFIDRO CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)C[C@H]1CCC[NH2+]1 ZINC000161385893 394367220 /nfs/dbraw/zinc/36/72/20/394367220.db2.gz XRBMSHORXHVCBE-IAGOWNOFSA-N 1 0 288.435 2.917 20 70 CFIDRO CC[C@@H](C)[N@H+](C)CCNc1ccc(C(F)(F)F)nn1 ZINC000218002601 397621048 /nfs/dbraw/zinc/62/10/48/397621048.db2.gz OPAJEGSQJYKCAB-SECBINFHSA-N 1 0 276.306 2.638 20 70 CFIDRO CCO[C@H]1C[C@@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)C12CCCCC2 ZINC000161179501 286483831 /nfs/dbraw/zinc/48/38/31/286483831.db2.gz YXSFAJOTXUTJJU-HZSPNIEDSA-N 1 0 296.455 2.604 20 70 CFIDRO C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)C1CC[NH2+]CC1 ZINC000161244799 274617278 /nfs/dbraw/zinc/61/72/78/274617278.db2.gz XAEZPPXQMHQEBI-SWLSCSKDSA-N 1 0 290.382 2.530 20 70 CFIDRO CC(C)c1ccc(C(=O)N(C)[C@@H](C[NH3+])C2CC2)cc1 ZINC000159859875 275732176 /nfs/dbraw/zinc/73/21/76/275732176.db2.gz RSIDJMLRPBNRBC-HNNXBMFYSA-N 1 0 260.381 2.619 20 70 CFIDRO CC1(C)C[C@@H](NC(=O)C[C@@H]2CCC[NH2+]2)c2ccccc2O1 ZINC000160345218 275857202 /nfs/dbraw/zinc/85/72/02/275857202.db2.gz ILQPSGOUJVWETC-GXTWGEPZSA-N 1 0 288.391 2.547 20 70 CFIDRO CCN(CC)C(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000159848721 276091144 /nfs/dbraw/zinc/09/11/44/276091144.db2.gz MMDAROKOPLTGSQ-ZBFHGGJFSA-N 1 0 289.423 2.701 20 70 CFIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000159908808 276162385 /nfs/dbraw/zinc/16/23/85/276162385.db2.gz RKTGLLNPDOZQNJ-HZPDHXFCSA-N 1 0 293.455 2.692 20 70 CFIDRO CC[C@H]([NH2+][C@@H]1CCc2nc(C)nn2C1)c1ccc(C)cc1 ZINC000160333233 276590343 /nfs/dbraw/zinc/59/03/43/276590343.db2.gz CRBKIAJGSUKAKZ-CVEARBPZSA-N 1 0 284.407 2.951 20 70 CFIDRO COC[C@H]([NH2+][C@@H](CCCO)c1ccccc1)C1CC1 ZINC000160916379 277598518 /nfs/dbraw/zinc/59/85/18/277598518.db2.gz SBGSJQOSERMLAM-HOTGVXAUSA-N 1 0 263.381 2.515 20 70 CFIDRO CC(C)[C@H](C)[NH2+][C@H](CN1CCCC1=O)c1ccccc1 ZINC000160683883 277883862 /nfs/dbraw/zinc/88/38/62/277883862.db2.gz XYNBSQUWTUNKKJ-GOEBONIOSA-N 1 0 274.408 2.984 20 70 CFIDRO CC(C)[C@H](C)NC(=O)C[NH2+][C@@H]1CCCC[C@@H]1C(C)C ZINC000160358229 280216895 /nfs/dbraw/zinc/21/68/95/280216895.db2.gz BZTFILDKQKDAMT-RRFJBIMHSA-N 1 0 268.445 2.952 20 70 CFIDRO CC(C)[C@H](C)NC(=O)C[NH2+][C@H]1CCCC[C@H]1C(C)C ZINC000160357868 280217528 /nfs/dbraw/zinc/21/75/28/280217528.db2.gz BZTFILDKQKDAMT-KKUMJFAQSA-N 1 0 268.445 2.952 20 70 CFIDRO Cc1c(NC(=O)C(C)(C)C[NH3+])sc2c1CCCC2 ZINC000160986862 280242127 /nfs/dbraw/zinc/24/21/27/280242127.db2.gz GKXPEAGCQZTGSY-UHFFFAOYSA-N 1 0 266.410 2.859 20 70 CFIDRO CC[C@H](CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000159959910 280817829 /nfs/dbraw/zinc/81/78/29/280817829.db2.gz PEFIJAKMAQNJGL-OIISXLGYSA-N 1 0 286.419 2.923 20 70 CFIDRO Cc1ccc2c(c1)[C@@H]([NH2+]C1CCC(C(N)=O)CC1)CC2 ZINC000160804909 281090820 /nfs/dbraw/zinc/09/08/20/281090820.db2.gz RKHDVSDINUJYAQ-XUJLQICISA-N 1 0 272.392 2.616 20 70 CFIDRO Cc1ccccc1[C@H](NC(=O)C[NH3+])[C@H]1CCC[C@H](C)C1 ZINC000159687209 292683017 /nfs/dbraw/zinc/68/30/17/292683017.db2.gz MUNNBBIPPSJSMX-RVSPLBMKSA-N 1 0 274.408 2.937 20 70 CFIDRO C[C@H](C[NH2+][C@H](C)C1CCOCC1)N1CCc2ccccc21 ZINC000159940241 289695503 /nfs/dbraw/zinc/69/55/03/289695503.db2.gz QZYWARSMORDAOR-HUUCEWRRSA-N 1 0 288.435 2.842 20 70 CFIDRO CCC[C@@H]([NH2+][C@H]1CCN(C(=O)CC)C1)c1ccccn1 ZINC000159385220 322322176 /nfs/dbraw/zinc/32/21/76/322322176.db2.gz LWUQCZVCZLYPCA-DZGCQCFKSA-N 1 0 275.396 2.523 20 70 CFIDRO C[C@@H](N[C@H](C(N)=O)c1ccccc1)c1cccc(F)c1F ZINC000159469028 322322696 /nfs/dbraw/zinc/32/26/96/322322696.db2.gz WARAQALRVKPGON-BMIGLBTASA-N 1 0 290.313 2.842 20 70 CFIDRO CCCC[N@H+](C)CCNc1nc(C(C)(C)C)ns1 ZINC000159445952 322323089 /nfs/dbraw/zinc/32/30/89/322323089.db2.gz IJPQLITVONMPRC-UHFFFAOYSA-N 1 0 270.446 2.979 20 70 CFIDRO CC(C)C[C@H](C)NC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000159611481 322325006 /nfs/dbraw/zinc/32/50/06/322325006.db2.gz PFVPNUFTEFNBRW-UONOGXRCSA-N 1 0 269.433 2.595 20 70 CFIDRO Cc1csc([C@H]([NH2+]CCC(C)(C)O)C2CC2)n1 ZINC000159614353 322325019 /nfs/dbraw/zinc/32/50/19/322325019.db2.gz AXJMRGMVPRREKI-LLVKDONJSA-N 1 0 254.399 2.653 20 70 CFIDRO CC(C)[N@H+](C)CCNC(=O)C1CCC(C)(C)CC1 ZINC000159781897 322328069 /nfs/dbraw/zinc/32/80/69/322328069.db2.gz YXFJNHZJYFPDIQ-UHFFFAOYSA-N 1 0 254.418 2.659 20 70 CFIDRO C[C@H](C[NH2+][C@@H](C)c1cnccn1)N1CCc2ccccc2C1 ZINC000159806937 322328682 /nfs/dbraw/zinc/32/86/82/322328682.db2.gz CGSUFVRILURWSX-CABCVRRESA-N 1 0 296.418 2.574 20 70 CFIDRO CC[NH+]1CCC(CCNC(=O)N[C@H](C)CC(C)C)CC1 ZINC000159875650 322329384 /nfs/dbraw/zinc/32/93/84/322329384.db2.gz RFKDKKLKOJOVOM-CQSZACIVSA-N 1 0 283.460 2.842 20 70 CFIDRO CC[NH+]1CCC(CCNC(=O)NCC2(C3CC3)CC2)CC1 ZINC000159881811 322329757 /nfs/dbraw/zinc/32/97/57/322329757.db2.gz WMQABPDWRSGTHH-UHFFFAOYSA-N 1 0 293.455 2.598 20 70 CFIDRO COCC[C@@H](C)[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000160033797 322332098 /nfs/dbraw/zinc/33/20/98/322332098.db2.gz CRDYNGKKXDZFDX-GFCCVEGCSA-N 1 0 296.377 2.665 20 70 CFIDRO C[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)c1ccco1 ZINC000160223593 322334884 /nfs/dbraw/zinc/33/48/84/322334884.db2.gz XKPGSONTIPYUOF-ZJUUUORDSA-N 1 0 262.275 2.567 20 70 CFIDRO CC[C@H](C[NH2+][C@@H](CC)COC)Oc1ccccc1F ZINC000160334704 322336240 /nfs/dbraw/zinc/33/62/40/322336240.db2.gz WFGJNLSADLUECE-QWHCGFSZSA-N 1 0 269.360 2.998 20 70 CFIDRO c1nc2ccccn2c1CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160548447 322339478 /nfs/dbraw/zinc/33/94/78/322339478.db2.gz AMPHIOWKZADASR-INIZCTEOSA-N 1 0 298.434 2.785 20 70 CFIDRO Cc1ccccc1C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000160569420 322339781 /nfs/dbraw/zinc/33/97/81/322339781.db2.gz VLTGQUBMBFFIFZ-OAHLLOKOSA-N 1 0 274.408 2.845 20 70 CFIDRO CS[C@H](C)CC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000160896197 322344913 /nfs/dbraw/zinc/34/49/13/322344913.db2.gz RCCPKKNLYGDRRJ-CHWSQXEVSA-N 1 0 286.485 2.755 20 70 CFIDRO C[C@@H]([NH2+]C[C@H]1CCc2ccccc21)c1cnn(C)c1 ZINC000160975852 322345149 /nfs/dbraw/zinc/34/51/49/322345149.db2.gz NOLSTCFZUPXMBL-TZMCWYRMSA-N 1 0 255.365 2.801 20 70 CFIDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cnc(C(C)C)s2)C1 ZINC000161082073 322346930 /nfs/dbraw/zinc/34/69/30/322346930.db2.gz XWZBXVBWGBMMOV-LBPRGKRZSA-N 1 0 295.452 2.728 20 70 CFIDRO COC[C@H](C)[NH2+][C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000161135588 322347523 /nfs/dbraw/zinc/34/75/23/322347523.db2.gz RWMDDEUDHRIZKR-QWHCGFSZSA-N 1 0 298.377 2.554 20 70 CFIDRO Cc1ccc([C@@H](C)CNC(=O)CC[NH2+]C(C)C)cc1 ZINC000161169109 322348120 /nfs/dbraw/zinc/34/81/20/322348120.db2.gz WRVJYTLRZPZBDM-AWEZNQCLSA-N 1 0 262.397 2.603 20 70 CFIDRO CCC[N@H+](CCO)Cc1ccc(OC)c(OCC(C)C)c1 ZINC000161193468 322348629 /nfs/dbraw/zinc/34/86/29/322348629.db2.gz CINCMXGESUNNCW-UHFFFAOYSA-N 1 0 295.423 2.934 20 70 CFIDRO COc1ccc([C@@H](C)[NH2+][C@H]2CCC(=O)N(C)C2)cc1Cl ZINC000161204202 322348716 /nfs/dbraw/zinc/34/87/16/322348716.db2.gz MQXWJWHRDCRHHY-PWSUYJOCSA-N 1 0 296.798 2.620 20 70 CFIDRO CCC[N@H+](CCO)Cc1ccc(Br)c(C)c1 ZINC000161204149 322348776 /nfs/dbraw/zinc/34/87/76/322348776.db2.gz IEHJCZKNGHLDQS-UHFFFAOYSA-N 1 0 286.213 2.962 20 70 CFIDRO C[NH+](C)CC[C@H](NC(=O)NC1(C)CCC1)C(C)(C)C ZINC000161321425 322350243 /nfs/dbraw/zinc/35/02/43/322350243.db2.gz BTWUJAYRLPYFIE-LBPRGKRZSA-N 1 0 269.433 2.595 20 70 CFIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)C2CCCCC2)CC1 ZINC000159901324 521607709 /nfs/dbraw/zinc/60/77/09/521607709.db2.gz PYBXXKXKSFHQBS-AWEZNQCLSA-N 1 0 281.444 2.692 20 70 CFIDRO CC[C@H](COC)[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000160036345 522256907 /nfs/dbraw/zinc/25/69/07/522256907.db2.gz DNZMWFXEFIQADO-CYBMUJFWSA-N 1 0 296.377 2.665 20 70 CFIDRO CC(C)(C)c1ccc(CNC(=O)[C@]2(C)CCC[NH2+]C2)cc1 ZINC000161337439 519029619 /nfs/dbraw/zinc/02/96/19/519029619.db2.gz GVCHFFUWDBUBKJ-GOSISDBHSA-N 1 0 288.435 2.990 20 70 CFIDRO CC(C)C[C@@H]1CCCCCN1C(=O)C[NH2+]CC1CC1 ZINC000159917530 519259406 /nfs/dbraw/zinc/25/94/06/519259406.db2.gz CVDMIADMGAKMSG-HNNXBMFYSA-N 1 0 266.429 2.803 20 70 CFIDRO CC(C)CO[C@H]1C[C@H]([NH2+]CC2(CO)CCCC2)C1(C)C ZINC000160106594 519761990 /nfs/dbraw/zinc/76/19/90/519761990.db2.gz CMVOORDXYHSJQC-GJZGRUSLSA-N 1 0 283.456 2.968 20 70 CFIDRO CC(C)c1noc(CCC[NH2+][C@@H](C)C2(C)CC2)n1 ZINC000160813472 519902199 /nfs/dbraw/zinc/90/21/99/519902199.db2.gz IGLRBFYWMKVGDR-NSHDSACASA-N 1 0 251.374 2.904 20 70 CFIDRO CC[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160740659 520226081 /nfs/dbraw/zinc/22/60/81/520226081.db2.gz GCNAWVGRWSSGPB-FUNVUKJBSA-N 1 0 268.401 2.869 20 70 CFIDRO CCCc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000160680308 521392542 /nfs/dbraw/zinc/39/25/42/521392542.db2.gz ZXMKHOOXRLKLNT-IYBDPMFKSA-N 1 0 272.392 2.606 20 70 CFIDRO CCSCc1cccc(NC(=O)[C@@H]([NH3+])CCSC)c1 ZINC000161481807 521718565 /nfs/dbraw/zinc/71/85/65/521718565.db2.gz QZUQZNFILAGNDM-ZDUSSCGKSA-N 1 0 298.477 2.959 20 70 CFIDRO CC[C@@H](C)c1cc(C(=O)NC[C@@H](C)C[NH+]2CCCC2)on1 ZINC000161077974 522418032 /nfs/dbraw/zinc/41/80/32/522418032.db2.gz OFHDRUSYYIJBFG-CHWSQXEVSA-N 1 0 293.411 2.650 20 70 CFIDRO CC[C@H](NCCC[N@@H+]1CCCC[C@@H]1C)c1cnn(C)c1 ZINC000160259262 522583609 /nfs/dbraw/zinc/58/36/09/522583609.db2.gz GJVQJGGKNZHYOP-HOCLYGCPSA-N 1 0 278.444 2.725 20 70 CFIDRO CCc1ncnc(NCC[NH+](C(C)C)C(C)C)c1F ZINC000217955371 522611174 /nfs/dbraw/zinc/61/11/74/522611174.db2.gz QPBUSTWGZIPBNY-UHFFFAOYSA-N 1 0 268.380 2.709 20 70 CFIDRO CC[C@@H]([NH2+]Cc1ccc(OC(C)C)nc1)[C@@H]1CCOC1 ZINC000160088880 522876784 /nfs/dbraw/zinc/87/67/84/522876784.db2.gz ZIPRFVNAKRKMHL-HUUCEWRRSA-N 1 0 278.396 2.774 20 70 CFIDRO COc1cc([C@@H](C)[NH2+]CC(C)(C)CCO)ccc1F ZINC000218265084 522905035 /nfs/dbraw/zinc/90/50/35/522905035.db2.gz UBUXNFFBFDEZDB-LLVKDONJSA-N 1 0 269.360 2.894 20 70 CFIDRO CN(CC[C@H]1CCCC[N@@H+]1C)Cc1cnc2ccccn12 ZINC000160802211 522935292 /nfs/dbraw/zinc/93/52/92/522935292.db2.gz OXECVSCEISOAKT-OAHLLOKOSA-N 1 0 286.423 2.641 20 70 CFIDRO COc1cc([C@H](C)[NH2+]CC(C)(C)CCO)ccc1F ZINC000218265144 522941890 /nfs/dbraw/zinc/94/18/90/522941890.db2.gz UBUXNFFBFDEZDB-NSHDSACASA-N 1 0 269.360 2.894 20 70 CFIDRO CC[C@H]1CCCN(C(C)(C)C[NH2+][C@@H](C)[C@@H]2CCOC2)C1 ZINC000161015084 523087123 /nfs/dbraw/zinc/08/71/23/523087123.db2.gz MYBXBLJOMPCEBN-HRCADAONSA-N 1 0 282.472 2.902 20 70 CFIDRO CC[C@@](C)(O)C[N@@H+]1CC[C@H](c2cc(OC)cc(OC)c2)C1 ZINC000161479087 523662790 /nfs/dbraw/zinc/66/27/90/523662790.db2.gz KQLAPIPVIDUHOG-SUMWQHHRSA-N 1 0 293.407 2.654 20 70 CFIDRO CN(C(=O)Cc1ccc2ccccc2c1)[C@H](C[NH3+])C1CC1 ZINC000159809497 523850805 /nfs/dbraw/zinc/85/08/05/523850805.db2.gz SQUNKQGWAITHJH-QGZVFWFLSA-N 1 0 282.387 2.578 20 70 CFIDRO CN(C(=O)c1cc2ccccc2s1)[C@H](C[NH3+])C1CC1 ZINC000159849045 523925920 /nfs/dbraw/zinc/92/59/20/523925920.db2.gz DYCZVOFAITVZNX-GFCCVEGCSA-N 1 0 274.389 2.711 20 70 CFIDRO COc1ccc(C[NH2+]C[C@H]2CCC(C)(C)O2)c(OC)c1 ZINC000160288412 524072130 /nfs/dbraw/zinc/07/21/30/524072130.db2.gz NFPFMSZSAACDIX-CQSZACIVSA-N 1 0 279.380 2.751 20 70 CFIDRO COc1ccc(C[C@@H](C)[NH2+]CC2(CO)CCCC2)cc1 ZINC000160116810 524136958 /nfs/dbraw/zinc/13/69/58/524136958.db2.gz DUPWTLBLUHOVKJ-CQSZACIVSA-N 1 0 277.408 2.769 20 70 CFIDRO Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)O)c(Cl)c1 ZINC000159565756 524300985 /nfs/dbraw/zinc/30/09/85/524300985.db2.gz WBQUCSRBZXAFRY-NEPJUHHUSA-N 1 0 298.814 2.596 20 70 CFIDRO Cc1cc(CN(C)[C@@H](C[NH3+])C2CC2)c2ccccc2n1 ZINC000159666740 524665378 /nfs/dbraw/zinc/66/53/78/524665378.db2.gz HNCMJSCHFOVCGJ-KRWDZBQOSA-N 1 0 269.392 2.712 20 70 CFIDRO Cc1cccc([C@H](C)CNC(=O)[C@@H]([NH3+])CC(C)C)c1 ZINC000160738310 524866313 /nfs/dbraw/zinc/86/63/13/524866313.db2.gz KCMHFOKCLFCNNJ-HIFRSBDPSA-N 1 0 262.397 2.588 20 70 CFIDRO COc1ccc([C@@H](C)[N@H+](C)CCn2ccnc2)cc1 ZINC000161354970 525128733 /nfs/dbraw/zinc/12/87/33/525128733.db2.gz STCWIBWXQHEQAQ-CYBMUJFWSA-N 1 0 259.353 2.585 20 70 CFIDRO CSCCCCC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000159755748 525403379 /nfs/dbraw/zinc/40/33/79/525403379.db2.gz BKMVGXFXTDCXCW-ZDUSSCGKSA-N 1 0 272.458 2.510 20 70 CFIDRO C[C@H]([NH2+]C[C@H]1CC(=O)Nc2ccccc21)C1CCOCC1 ZINC000160739002 525411886 /nfs/dbraw/zinc/41/18/86/525411886.db2.gz WFAZOKCPIQIOIA-GXTWGEPZSA-N 1 0 288.391 2.517 20 70 CFIDRO C[C@@H]([NH2+]CCCN1CCCC1=O)c1cc2c(s1)CCC2 ZINC000159529375 525435114 /nfs/dbraw/zinc/43/51/14/525435114.db2.gz BJTOGZDGASYASF-GFCCVEGCSA-N 1 0 292.448 2.900 20 70 CFIDRO C[C@@H](NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1)c1cnn(C)c1 ZINC000217458320 525487593 /nfs/dbraw/zinc/48/75/93/525487593.db2.gz MIBUEBPPMPDQPD-IIAWOOMASA-N 1 0 278.444 2.581 20 70 CFIDRO Cc1c2ccccc2oc1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160739106 525977886 /nfs/dbraw/zinc/97/78/86/525977886.db2.gz ZLYDQSKZZKAZNK-BETUJISGSA-N 1 0 284.359 2.708 20 70 CFIDRO c1ccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)cc1 ZINC000161407267 526470674 /nfs/dbraw/zinc/47/06/74/526470674.db2.gz HCBYBWIRPKPORN-HNNXBMFYSA-N 1 0 282.391 2.604 20 70 CFIDRO c1nc2ccccn2c1CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000160795878 526609427 /nfs/dbraw/zinc/60/94/27/526609427.db2.gz BTEWGCPFYSTOQP-MRXNPFEDSA-N 1 0 298.434 2.642 20 70 CFIDRO O=C(c1occc1-c1ccccc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160533699 526931698 /nfs/dbraw/zinc/93/16/98/526931698.db2.gz IDMNVJRGCHKXIM-GASCZTMLSA-N 1 0 296.370 2.913 20 70 CFIDRO [NH3+][C@H](CC(=O)N[C@H]1C[C@@H]1c1ccccc1)c1ccccc1 ZINC000217771761 527384055 /nfs/dbraw/zinc/38/40/55/527384055.db2.gz LTWCAHXTYCCMJK-ZACQAIPSSA-N 1 0 280.371 2.749 20 70 CFIDRO C(C[NH+]1CCC(OC2CCCC2)CC1)OCC1CC1 ZINC000159976264 527478472 /nfs/dbraw/zinc/47/84/72/527478472.db2.gz IHABYVLMXAWUFR-UHFFFAOYSA-N 1 0 267.413 2.837 20 70 CFIDRO CCOCCC1(C(=O)NCC[NH+](C(C)C)C(C)C)CCC1 ZINC000160711508 528603390 /nfs/dbraw/zinc/60/33/90/528603390.db2.gz GUOMAPDZVFJOTG-UHFFFAOYSA-N 1 0 298.471 2.818 20 70 CFIDRO CCOCCC[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000160004622 528659938 /nfs/dbraw/zinc/65/99/38/528659938.db2.gz GAGWZCIVCNNJMQ-LBPRGKRZSA-N 1 0 254.399 2.749 20 70 CFIDRO CCC([NH3+])(CC)CNC(=O)CCCOCc1ccccc1 ZINC000160409451 528925369 /nfs/dbraw/zinc/92/53/69/528925369.db2.gz QOYVDDWIRIIHSL-UHFFFAOYSA-N 1 0 292.423 2.617 20 70 CFIDRO CCN(C(=O)c1ccc(C[NH3+])cc1)c1nc(C)cs1 ZINC000161353791 529082508 /nfs/dbraw/zinc/08/25/08/529082508.db2.gz RIWUJNSGOIMSQW-UHFFFAOYSA-N 1 0 275.377 2.577 20 70 CFIDRO O=C(c1cccc2c1CCC2)N1CCC([NH2+]CC2CC2)CC1 ZINC000159743210 232245634 /nfs/dbraw/zinc/24/56/34/232245634.db2.gz XJAMLXYLJJEUCF-UHFFFAOYSA-N 1 0 298.430 2.780 20 70 CFIDRO C[C@]1(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CCCc2ccccc21 ZINC000159996168 232246842 /nfs/dbraw/zinc/24/68/42/232246842.db2.gz CCYSRVUUYBUAGG-FCEWJHQRSA-N 1 0 298.430 2.634 20 70 CFIDRO C[C@H](Cc1ccccc1F)C(=O)N1CCC([NH+](C)C)CC1 ZINC000159538414 348013177 /nfs/dbraw/zinc/01/31/77/348013177.db2.gz AOZBMKBZXQMIFG-CYBMUJFWSA-N 1 0 292.398 2.557 20 70 CFIDRO CN(C(=O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21)c1ccccc1 ZINC000159682865 348014175 /nfs/dbraw/zinc/01/41/75/348014175.db2.gz KVYQRBOSHHYKTP-HOCLYGCPSA-N 1 0 272.392 2.914 20 70 CFIDRO O=C1c2ccccc2C(=O)N1CC[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000159681979 348014299 /nfs/dbraw/zinc/01/42/99/348014299.db2.gz VUAPTSDHVWHDFU-BBRMVZONSA-N 1 0 298.386 2.547 20 70 CFIDRO CC[N@H+](CCNC(=O)[C@@H](C)Cc1ccccc1F)C(C)C ZINC000160177060 348016195 /nfs/dbraw/zinc/01/61/95/348016195.db2.gz QOOTYQPHKUJZPR-AWEZNQCLSA-N 1 0 294.414 2.851 20 70 CFIDRO CCN(C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)[C@@H](C)C(C)C ZINC000160758125 348020782 /nfs/dbraw/zinc/02/07/82/348020782.db2.gz MPMATAHIOSAYOW-DZGCQCFKSA-N 1 0 281.444 2.547 20 70 CFIDRO CC[C@H]([NH2+]CC(=O)Nc1cccnc1)c1ccc(F)cc1 ZINC000160862368 348021382 /nfs/dbraw/zinc/02/13/82/348021382.db2.gz AKWRIJWZARJEJG-HNNXBMFYSA-N 1 0 287.338 2.900 20 70 CFIDRO CC(C)[NH2+]CCC(=O)N[C@H]1c2cccc(F)c2CC[C@H]1C ZINC000161096768 348023302 /nfs/dbraw/zinc/02/33/02/348023302.db2.gz LKZZTEQMUPYTQG-SJKOYZFVSA-N 1 0 292.398 2.953 20 70 CFIDRO c1cnc2c(c1)CCC[C@@H]2N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217739109 539665067 /nfs/dbraw/zinc/66/50/67/539665067.db2.gz OAKIMWVKCOQFNH-PMPSAXMXSA-N 1 0 271.408 2.675 20 70 CFIDRO C[N@H+](CCCCS(C)(=O)=O)Cc1ccc(Cl)cc1 ZINC000161158086 539830534 /nfs/dbraw/zinc/83/05/34/539830534.db2.gz ZCIMXJLSYMLUPM-UHFFFAOYSA-N 1 0 289.828 2.597 20 70 CFIDRO CCOc1ccc([C@H](CC)[NH2+]CCO)cc1OCC ZINC000159713701 188438679 /nfs/dbraw/zinc/43/86/79/188438679.db2.gz AAARFUYTEXAXAM-ZDUSSCGKSA-N 1 0 267.369 2.517 20 70 CFIDRO CCCN(CCc1cccc(F)c1)C(=O)C1CC[NH2+]CC1 ZINC000160096272 188455473 /nfs/dbraw/zinc/45/54/73/188455473.db2.gz KTBVLMUNDSDQHY-UHFFFAOYSA-N 1 0 292.398 2.606 20 70 CFIDRO CC[C@@H](Oc1ccccc1C)C(=O)NCC([NH3+])(CC)CC ZINC000160561415 188480173 /nfs/dbraw/zinc/48/01/73/188480173.db2.gz PWSAKAVSDVNNKC-CQSZACIVSA-N 1 0 292.423 2.786 20 70 CFIDRO C[C@@H](NC(=O)CC[NH3+])c1cccc(Cl)c1Cl ZINC000160985842 188501917 /nfs/dbraw/zinc/50/19/17/188501917.db2.gz ABVDQSIXQRGBRO-SSDOTTSWSA-N 1 0 261.152 2.519 20 70 CFIDRO CCC(CC)(C[NH3+])C(=O)N[C@@H](C)COc1cccc(C)c1 ZINC000161189630 188513735 /nfs/dbraw/zinc/51/37/35/188513735.db2.gz RGTMJYNPRWNGFO-AWEZNQCLSA-N 1 0 292.423 2.644 20 70 CFIDRO CCC[C@@H]([NH3+])C(=O)N[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000161054828 188504982 /nfs/dbraw/zinc/50/49/82/188504982.db2.gz TYMSFHKSOZJNNX-BZUAXINKSA-N 1 0 274.408 2.641 20 70 CFIDRO O=C(N[C@H]1CCC[C@@H]1Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000161055364 188505181 /nfs/dbraw/zinc/50/51/81/188505181.db2.gz LRDURIHEFAGJLE-ZACQAIPSSA-N 1 0 286.419 2.514 20 70 CFIDRO Cc1ccc([C@H](C)C[NH2+][C@@H](C(N)=O)c2ccccc2)cc1 ZINC000161051526 188505671 /nfs/dbraw/zinc/50/56/71/188505671.db2.gz XLARHNCQQOPUAI-RHSMWYFYSA-N 1 0 282.387 2.915 20 70 CFIDRO Cc1ccc(OCC[NH2+]C2CCC3(CC2)OCCO3)cc1 ZINC000161248635 188517499 /nfs/dbraw/zinc/51/74/99/188517499.db2.gz HUOIKWBAEXNJLJ-UHFFFAOYSA-N 1 0 291.391 2.649 20 70 CFIDRO C[C@H](CC(=O)N(C)CCc1cccs1)C1CC[NH2+]CC1 ZINC000161395324 188524981 /nfs/dbraw/zinc/52/49/81/188524981.db2.gz VPLQJBJNUQHNGC-CYBMUJFWSA-N 1 0 294.464 2.775 20 70 CFIDRO C[C@H](Cc1ccc(O)cc1)[NH2+]C1CCC2(CC1)OCCO2 ZINC000161460451 188529221 /nfs/dbraw/zinc/52/92/21/188529221.db2.gz PYAZCVSQNZLEKS-CYBMUJFWSA-N 1 0 291.391 2.599 20 70 CFIDRO COC[C@H](Cc1ccccc1)[NH2+]C[C@@H](CO)c1ccccc1 ZINC000161497414 188530897 /nfs/dbraw/zinc/53/08/97/188530897.db2.gz QCJPNJWXLOBVHJ-OALUTQOASA-N 1 0 299.414 2.610 20 70 CFIDRO CC1(C)C[C@H]([NH2+][C@H]2CCO[C@@]3(CCSC3)C2)CCO1 ZINC000218656298 540021597 /nfs/dbraw/zinc/02/15/97/540021597.db2.gz LJIKWAOLQXKCGA-IPYPFGDCSA-N 1 0 285.453 2.588 20 70 CFIDRO CNC(=O)[C@H](CC(C)C)[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000160888877 540059215 /nfs/dbraw/zinc/05/92/15/540059215.db2.gz SQTBXYAPMJPADF-ZDUSSCGKSA-N 1 0 286.778 2.729 20 70 CFIDRO C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000159799767 540662917 /nfs/dbraw/zinc/66/29/17/540662917.db2.gz BLMRXYJIVDZQKJ-ZCDTZLGTSA-N 1 0 290.382 2.658 20 70 CFIDRO Cc1ccc([C@@H](C)CNC(=O)c2ccc(C[NH3+])o2)cc1 ZINC000159658648 540660569 /nfs/dbraw/zinc/66/05/69/540660569.db2.gz HMALMTQAAKHSDU-LBPRGKRZSA-N 1 0 272.348 2.580 20 70 CFIDRO Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000159881027 540663739 /nfs/dbraw/zinc/66/37/39/540663739.db2.gz VEUFTBSOTSCNEU-ABFRBSLYSA-N 1 0 286.419 2.827 20 70 CFIDRO CCCn1nccc1C[NH2+]C[C@H]1Cc2ccccc21 ZINC000160088713 540668572 /nfs/dbraw/zinc/66/85/72/540668572.db2.gz IDKCXRKFICGTCH-CQSZACIVSA-N 1 0 255.365 2.723 20 70 CFIDRO CCCn1nccc1C[NH2+]CCCOc1ccccc1 ZINC000160133877 540669388 /nfs/dbraw/zinc/66/93/88/540669388.db2.gz BIIARLJXTSJEAR-UHFFFAOYSA-N 1 0 273.380 2.852 20 70 CFIDRO CC[C@H](Oc1ccccc1C)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161015112 540686613 /nfs/dbraw/zinc/68/66/13/540686613.db2.gz IMMMHJHSNHKOKF-KKUMJFAQSA-N 1 0 290.407 2.539 20 70 CFIDRO CC1(C)C[NH2+]CCN1C(=O)c1cc2ccc(F)cc2s1 ZINC000161208455 540690626 /nfs/dbraw/zinc/69/06/26/540690626.db2.gz LMGZLJFXKYEUGQ-UHFFFAOYSA-N 1 0 292.379 2.864 20 70 CFIDRO Cc1ccccc1OCCCC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161336031 540692199 /nfs/dbraw/zinc/69/21/99/540692199.db2.gz MYBAMYHDLAGMRB-LSDHHAIUSA-N 1 0 290.407 2.540 20 70 CFIDRO CN(C(=O)c1cc2ccc(F)cc2s1)C1CC[NH2+]CC1 ZINC000161196332 540690841 /nfs/dbraw/zinc/69/08/41/540690841.db2.gz JWSGKJJNAUWKHR-UHFFFAOYSA-N 1 0 292.379 2.864 20 70 CFIDRO Cc1ccc(-c2cc(C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)on2)cc1 ZINC000161506436 540693940 /nfs/dbraw/zinc/69/39/40/540693940.db2.gz SKJNALHEHHAHOH-UONOGXRCSA-N 1 0 299.374 2.650 20 70 CFIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000161392793 540693050 /nfs/dbraw/zinc/69/30/50/540693050.db2.gz IHSJYNHIQMSXLB-NWDGAFQWSA-N 1 0 286.297 2.705 20 70 CFIDRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)C2CCCC2)C1)c1ccccn1 ZINC000159386507 540991877 /nfs/dbraw/zinc/99/18/77/540991877.db2.gz IJHOBHKXTZMPJI-UKRRQHHQSA-N 1 0 287.407 2.523 20 70 CFIDRO CCOc1ccc(C[NH2+]Cc2ccnn2CC)cc1OC ZINC000159981837 541019523 /nfs/dbraw/zinc/01/95/23/541019523.db2.gz VMKDJRVKXSIISR-UHFFFAOYSA-N 1 0 289.379 2.600 20 70 CFIDRO C[C@@H]([NH2+][C@@H]1CCN(C2CCCCC2)C1=O)c1ccncc1 ZINC000160139710 541021988 /nfs/dbraw/zinc/02/19/88/541021988.db2.gz SFZCELFYMQZIGS-CZUORRHYSA-N 1 0 287.407 2.666 20 70 CFIDRO FC(F)(F)c1nc2ccccc2n1C[C@H]1CC[NH2+]C1 ZINC000218350892 541029272 /nfs/dbraw/zinc/02/92/72/541029272.db2.gz ICXWZVOEVZFXJS-VIFPVBQESA-N 1 0 269.270 2.665 20 70 CFIDRO C[C@H](CC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccncc1 ZINC000160789901 541480062 /nfs/dbraw/zinc/48/00/62/541480062.db2.gz BEQPFTVOWOETFF-FMKPAKJESA-N 1 0 289.423 2.516 20 70 CFIDRO CCCCN1CCc2ccc(NC(=O)[C@H](C)[NH+](C)C)cc21 ZINC000160939852 541500708 /nfs/dbraw/zinc/50/07/08/541500708.db2.gz QBGZOLBOPADAOG-ZDUSSCGKSA-N 1 0 289.423 2.738 20 70 CFIDRO CC(C)N(C)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000159948342 378738506 /nfs/dbraw/zinc/73/85/06/378738506.db2.gz WBIRLSUHELLBMQ-ZBFHGGJFSA-N 1 0 289.423 2.557 20 70 CFIDRO C[C@@H](C[NH2+][C@@H](C)c1cnn(C)c1)N1CCc2ccccc21 ZINC000159920721 378738597 /nfs/dbraw/zinc/73/85/97/378738597.db2.gz OZFNHOQQWRUWDT-KBPBESRZSA-N 1 0 284.407 2.522 20 70 CFIDRO Cc1ccc([C@H](C)NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000159942369 378739059 /nfs/dbraw/zinc/73/90/59/378739059.db2.gz IYHZJZNIODILES-NWANDNLSSA-N 1 0 260.381 2.690 20 70 CFIDRO [NH3+]CCCNC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000160016749 378743994 /nfs/dbraw/zinc/74/39/94/378743994.db2.gz ZIKLCCZRQCBYAQ-GHMZBOCLSA-N 1 0 287.190 2.562 20 70 CFIDRO CCC[C@H]([NH3+])C(=O)N1CCC[C@](C)(c2ccccc2)C1 ZINC000160104704 378748438 /nfs/dbraw/zinc/74/84/38/378748438.db2.gz IBZDURDEMMPUNE-RDJZCZTQSA-N 1 0 274.408 2.694 20 70 CFIDRO CC[C@@H](C)[N@H+](C)CCN[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000160109069 378750075 /nfs/dbraw/zinc/75/00/75/378750075.db2.gz ZTXNDKMHTPNASA-KGLIPLIRSA-N 1 0 292.423 2.839 20 70 CFIDRO O=C(NCC[C@@H]1CCC[NH2+]C1)C1C2CC3CC(C2)CC1C3 ZINC000160118645 378750096 /nfs/dbraw/zinc/75/00/96/378750096.db2.gz HSJFCXHJFQIRNJ-CNSOWSRNSA-N 1 0 290.451 2.565 20 70 CFIDRO [NH3+]C[C@@H]1CCCN1C(=O)CCCCCc1cccs1 ZINC000160179536 378754621 /nfs/dbraw/zinc/75/46/21/378754621.db2.gz HYLWNYVAJFRGFD-ZDUSSCGKSA-N 1 0 280.437 2.801 20 70 CFIDRO CC[N@H+](CCc1nccs1)CCc1ccccn1 ZINC000159388340 378707091 /nfs/dbraw/zinc/70/70/91/378707091.db2.gz VKNGVGYIVMOMBI-UHFFFAOYSA-N 1 0 261.394 2.645 20 70 CFIDRO C[C@H](O)C[N@H+](C)[C@@H](C)c1cccc(Br)c1 ZINC000159399401 378707367 /nfs/dbraw/zinc/70/73/67/378707367.db2.gz BWSOHOQKCFZZLB-UWVGGRQHSA-N 1 0 272.186 2.823 20 70 CFIDRO Cc1cccc(O[C@@H](C)C(=O)NCC2([NH3+])CCCCC2)c1 ZINC000159459729 378710543 /nfs/dbraw/zinc/71/05/43/378710543.db2.gz NBMDQYLPYJLIPV-AWEZNQCLSA-N 1 0 290.407 2.540 20 70 CFIDRO C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CCCN1CCCC1=O ZINC000159505439 378713505 /nfs/dbraw/zinc/71/35/05/378713505.db2.gz TVMOSBLRVRJDQE-DYVFJYSZSA-N 1 0 272.392 2.522 20 70 CFIDRO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NCC(C)(C)[NH+](C)C ZINC000159534496 378715903 /nfs/dbraw/zinc/71/59/03/378715903.db2.gz JXWUQVZIRMOCHX-NEPJUHHUSA-N 1 0 280.437 2.616 20 70 CFIDRO COc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000159598227 378718899 /nfs/dbraw/zinc/71/88/99/378718899.db2.gz XGHVOCUPRGLLBM-OAGGEKHMSA-N 1 0 273.376 2.742 20 70 CFIDRO CCc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)o1 ZINC000159595936 378719048 /nfs/dbraw/zinc/71/90/48/378719048.db2.gz XXPZYUMOZCROQU-KFWWJZLASA-N 1 0 261.365 2.889 20 70 CFIDRO Cc1ccc(C(=O)CC[NH+]2CCC([C@@H](C)O)CC2)cc1 ZINC000159618872 378720175 /nfs/dbraw/zinc/72/01/75/378720175.db2.gz QLCNLJQHZPPVAT-CQSZACIVSA-N 1 0 275.392 2.661 20 70 CFIDRO CC[NH+](CC)CCNC(=O)N[C@H](C)c1cccc(F)c1F ZINC000159645230 378721284 /nfs/dbraw/zinc/72/12/84/378721284.db2.gz ODXGKXSGSOPORD-LLVKDONJSA-N 1 0 299.365 2.667 20 70 CFIDRO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CC1(C)C)c1ccc(F)cc1 ZINC000159658120 378722554 /nfs/dbraw/zinc/72/25/54/378722554.db2.gz BFJGICFGRLAHIT-KBPBESRZSA-N 1 0 278.371 2.591 20 70 CFIDRO Cc1ccc([C@H](C)CNC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2[NH3+])cc1 ZINC000159657091 378722719 /nfs/dbraw/zinc/72/27/19/378722719.db2.gz ZQSUNXSPYFHRLC-ZUOZUFPHSA-N 1 0 286.419 2.588 20 70 CFIDRO Cc1ccccc1[C@H](NC(=O)C[NH3+])[C@@H]1CCC[C@H](C)C1 ZINC000159686946 378724537 /nfs/dbraw/zinc/72/45/37/378724537.db2.gz MUNNBBIPPSJSMX-DXCKQFNASA-N 1 0 274.408 2.937 20 70 CFIDRO O=C(N[C@H]1CCC[C@H]1c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000159712153 378725834 /nfs/dbraw/zinc/72/58/34/378725834.db2.gz NUCKGCZHXGUACW-JYJNAYRXSA-N 1 0 272.392 2.581 20 70 CFIDRO C[C@H]([NH2+][C@@H](CC(N)=O)C1CCCCC1)c1ccccn1 ZINC000159751611 378728845 /nfs/dbraw/zinc/72/88/45/378728845.db2.gz KZDKMIQYLKWEBO-WFASDCNBSA-N 1 0 275.396 2.557 20 70 CFIDRO C[C@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1ccncc1 ZINC000159808843 378732510 /nfs/dbraw/zinc/73/25/10/378732510.db2.gz ZJEWIBZBECQEDP-VIFPVBQESA-N 1 0 284.285 2.685 20 70 CFIDRO [NH3+]C[C@H]1CCCN1C(=O)c1ccc(Oc2ccccc2)o1 ZINC000160264589 378760584 /nfs/dbraw/zinc/76/05/84/378760584.db2.gz KDMXASFJOFBRTA-GFCCVEGCSA-N 1 0 286.331 2.635 20 70 CFIDRO Cc1cccc(C)c1C[NH2+]CCCOC[C@@H]1CCCO1 ZINC000160412759 378770165 /nfs/dbraw/zinc/77/01/65/378770165.db2.gz SWKPTSYVJFYUKM-INIZCTEOSA-N 1 0 277.408 2.979 20 70 CFIDRO CCc1ccc(/C=C/C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)o1 ZINC000160421816 378771496 /nfs/dbraw/zinc/77/14/96/378771496.db2.gz YTPASTQOPFHZDV-VRZZLATASA-N 1 0 290.407 2.796 20 70 CFIDRO [NH3+][C@H]1CCC[C@@H](C(=O)NCCc2cc3ccccc3o2)C1 ZINC000160486885 378775727 /nfs/dbraw/zinc/77/57/27/378775727.db2.gz PLWPKODGETWBRV-KGLIPLIRSA-N 1 0 286.375 2.609 20 70 CFIDRO C[NH2+][C@@H]1CCN(C(=O)c2oc3c(c2C)c(C)ccc3C)C1 ZINC000160798775 378800313 /nfs/dbraw/zinc/80/03/13/378800313.db2.gz FJQODIQIDIRTGA-CYBMUJFWSA-N 1 0 286.375 2.792 20 70 CFIDRO CCC([NH3+])(CC)CNC(=O)CCOc1cc(C)cc(C)c1 ZINC000160509912 378777626 /nfs/dbraw/zinc/77/76/26/378777626.db2.gz ZGEUJZIJHTXSFY-UHFFFAOYSA-N 1 0 292.423 2.706 20 70 CFIDRO CCc1ccc([C@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)s1 ZINC000160559477 378782100 /nfs/dbraw/zinc/78/21/00/378782100.db2.gz XGBVGMAGNYDWBC-CMPLNLGQSA-N 1 0 290.436 2.876 20 70 CFIDRO C[C@H](O)C(C)(C)[NH2+]Cc1csc(Br)c1 ZINC000160620413 378786672 /nfs/dbraw/zinc/78/66/72/378786672.db2.gz TYKUKHVIIPDCDP-ZETCQYMHSA-N 1 0 278.215 2.760 20 70 CFIDRO CCc1ccc([C@@H](C)[NH2+]CC(=O)NCC(F)(F)F)s1 ZINC000160618880 378786748 /nfs/dbraw/zinc/78/67/48/378786748.db2.gz FWPSDFRPEVOYEN-MRVPVSSYSA-N 1 0 294.342 2.640 20 70 CFIDRO CC[C@@H](NC(=O)CC1CC[NH2+]CC1)c1cc(F)ccc1F ZINC000160658000 378789321 /nfs/dbraw/zinc/78/93/21/378789321.db2.gz DETHQADTUSCXJR-OAHLLOKOSA-N 1 0 296.361 2.922 20 70 CFIDRO CC[C@@H]([NH2+]CCNC(=O)C(C)C)c1ccc(F)cc1F ZINC000160661008 378789362 /nfs/dbraw/zinc/78/93/62/378789362.db2.gz GNWBFEMKJUPVLC-CQSZACIVSA-N 1 0 284.350 2.778 20 70 CFIDRO Cc1c(C[NH2+]Cc2ccccc2OC(C)C)cnn1C ZINC000160677353 378791421 /nfs/dbraw/zinc/79/14/21/378791421.db2.gz GDCGREBELYZBBY-UHFFFAOYSA-N 1 0 273.380 2.806 20 70 CFIDRO CC[C@@H](NC(=O)[C@H](C)C[NH2+]C)C(C)(C)c1ccccc1 ZINC000160762001 378797303 /nfs/dbraw/zinc/79/73/03/378797303.db2.gz RMQBGGOHFOTUPD-UKRRQHHQSA-N 1 0 276.424 2.715 20 70 CFIDRO CC[C@H](C(=O)Nc1cc(C)ccc1Cl)[NH+](C)C ZINC000160780877 378798723 /nfs/dbraw/zinc/79/87/23/378798723.db2.gz OAYTUEZIOWLCKD-GFCCVEGCSA-N 1 0 254.761 2.927 20 70 CFIDRO CC[C@H](C)NC(=O)CC[NH2+]Cc1ccc(Cl)cc1F ZINC000160784215 378799013 /nfs/dbraw/zinc/79/90/13/378799013.db2.gz SVALSOWYFMRCTF-JTQLQIEISA-N 1 0 286.778 2.874 20 70 CFIDRO CCC[N@H+](CCO)Cc1ccc(OC)cc1OC(F)F ZINC000161203145 378831550 /nfs/dbraw/zinc/83/15/50/378831550.db2.gz PXDZWQHFJAJTAQ-UHFFFAOYSA-N 1 0 289.322 2.501 20 70 CFIDRO CCC(CC)(C[NH3+])C(=O)NC[C@@H](C)Oc1ccccc1C ZINC000161245306 378832514 /nfs/dbraw/zinc/83/25/14/378832514.db2.gz UDSCDPJVVGWCRY-CQSZACIVSA-N 1 0 292.423 2.644 20 70 CFIDRO CSCC[C@@H]([NH3+])C(=O)N[C@H](C)c1cccc(C)c1C ZINC000160836124 378802743 /nfs/dbraw/zinc/80/27/43/378802743.db2.gz KDGUEAASHOPHBJ-TZMCWYRMSA-N 1 0 280.437 2.561 20 70 CFIDRO C[C@H](C(=O)N1CCC[NH2+]CC1)c1ccc2ccccc2c1 ZINC000160871261 378806492 /nfs/dbraw/zinc/80/64/92/378806492.db2.gz OYOFMBMZIZKFIE-AWEZNQCLSA-N 1 0 282.387 2.765 20 70 CFIDRO CC[C@@H]([NH2+][C@@H]1CCN(C(C)C)C1=O)c1ccc(F)cc1 ZINC000160928542 378809156 /nfs/dbraw/zinc/80/91/56/378809156.db2.gz YPAJHDWTYKZUIT-HUUCEWRRSA-N 1 0 278.371 2.876 20 70 CFIDRO Cc1cc(NC[C@H]2CCN(CC(F)(F)F)C2)cc[nH+]1 ZINC000160917975 378809370 /nfs/dbraw/zinc/80/93/70/378809370.db2.gz AJDWGQLSSBNENZ-LLVKDONJSA-N 1 0 273.302 2.686 20 70 CFIDRO CC(C)NC(=O)C[NH2+][C@H]1c2cccc(F)c2CC[C@H]1C ZINC000160914781 378810235 /nfs/dbraw/zinc/81/02/35/378810235.db2.gz FCUCKEVGLNOIOF-BDJLRTHQSA-N 1 0 278.371 2.563 20 70 CFIDRO CC(C)NC(=O)C[NH2+][C@H](Cc1ccc(F)cc1)C(C)C ZINC000160959784 378811601 /nfs/dbraw/zinc/81/16/01/378811601.db2.gz ZCMZKHBEEQJINS-OAHLLOKOSA-N 1 0 280.387 2.507 20 70 CFIDRO CC(C)C[C@H]([NH2+]CC(=O)NC(C)C)c1cccs1 ZINC000160973190 378813404 /nfs/dbraw/zinc/81/34/04/378813404.db2.gz IMXCRRSMSOBNDY-LBPRGKRZSA-N 1 0 268.426 2.950 20 70 CFIDRO O=C(N[C@@H]1CCC[C@H]1Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000161055499 378817824 /nfs/dbraw/zinc/81/78/24/378817824.db2.gz LRDURIHEFAGJLE-GVDBMIGSSA-N 1 0 286.419 2.514 20 70 CFIDRO CC[C@H](C(=O)N1CCC2(C1)CCCCC2)[NH+](C)C ZINC000161086004 378819779 /nfs/dbraw/zinc/81/97/79/378819779.db2.gz RTBUFNJYGUUYOM-CYBMUJFWSA-N 1 0 252.402 2.509 20 70 CFIDRO C[C@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)c1cncc(F)c1 ZINC000161104511 378821392 /nfs/dbraw/zinc/82/13/92/378821392.db2.gz BSXLURPWKBSSBN-CQDKDKBSSA-N 1 0 265.376 2.744 20 70 CFIDRO COc1cc(C[NH2+]C(C)(C)[C@H](C)O)ccc1OC(C)C ZINC000161135428 378824306 /nfs/dbraw/zinc/82/43/06/378824306.db2.gz FXZZPJRKKTVMGZ-LBPRGKRZSA-N 1 0 281.396 2.731 20 70 CFIDRO CC[C@H](COC)[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000161147584 378825669 /nfs/dbraw/zinc/82/56/69/378825669.db2.gz CLLXMAYJFLTSFR-PBHICJAKSA-N 1 0 291.391 2.924 20 70 CFIDRO C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)C[C@@H]1CCC[NH2+]1 ZINC000161424261 378846503 /nfs/dbraw/zinc/84/65/03/378846503.db2.gz UNKFOMKYTPXUER-VNQPRFMTSA-N 1 0 272.392 2.533 20 70 CFIDRO CCC(CC)(C[NH3+])C(=O)NCc1nc(C(C)C)cs1 ZINC000161301202 378837858 /nfs/dbraw/zinc/83/78/58/378837858.db2.gz IXDJYELSIIZLIO-UHFFFAOYSA-N 1 0 283.441 2.648 20 70 CFIDRO CC[NH+](CC)CCCNC(=O)Nc1cccc(F)c1 ZINC000217310643 382785970 /nfs/dbraw/zinc/78/59/70/382785970.db2.gz PUWRXKMZWMXDHV-UHFFFAOYSA-N 1 0 267.348 2.679 20 70 CFIDRO C[C@H](C[NH2+][C@H]1CCCc2ccc(O)cc21)N(C)C1CC1 ZINC000217560301 382786810 /nfs/dbraw/zinc/78/68/10/382786810.db2.gz PRAKNHIEYHHTJA-PXAZEXFGSA-N 1 0 274.408 2.842 20 70 CFIDRO C[C@@H](C[NH2+]Cc1ccc2[nH]ccc2c1)N(C)C1CC1 ZINC000217548499 382786903 /nfs/dbraw/zinc/78/69/03/382786903.db2.gz QTGYRQQAWYVYHD-LBPRGKRZSA-N 1 0 257.381 2.740 20 70 CFIDRO C[C@@H]([NH2+][C@@H]1CCC[C@@H](C)C1)c1nnc2ccccn21 ZINC000217641629 382787192 /nfs/dbraw/zinc/78/71/92/382787192.db2.gz YBXCQDZYHAHGGO-JHJVBQTASA-N 1 0 258.369 2.959 20 70 CFIDRO C[C@@H]1C[N@H+](C[C@@H](O)c2cc3ccccc3o2)CCCO1 ZINC000217603467 382787211 /nfs/dbraw/zinc/78/72/11/382787211.db2.gz MYRORXNAGJOYDJ-TZMCWYRMSA-N 1 0 275.348 2.577 20 70 CFIDRO C[C@H](CCc1ccco1)[NH2+][C@@H]1CCN2CCCC[C@@H]12 ZINC000217697007 382787437 /nfs/dbraw/zinc/78/74/37/382787437.db2.gz GKBDPIIKYNCNDR-BMFZPTHFSA-N 1 0 262.397 2.817 20 70 CFIDRO CC[C@@H](C)N(C)CC[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000217759713 382788025 /nfs/dbraw/zinc/78/80/25/382788025.db2.gz LOMYESCBBCKUOP-UONOGXRCSA-N 1 0 264.413 2.643 20 70 CFIDRO c1cc2c(cccc2CN[C@@H]2CC[N@@H+]3CCCC[C@@H]23)[nH]1 ZINC000218109808 382789304 /nfs/dbraw/zinc/78/93/04/382789304.db2.gz PPHKIJKQBNDNEO-SJORKVTESA-N 1 0 269.392 2.884 20 70 CFIDRO c1csc(C[NH2+]C2CCN(c3ccccc3)CC2)n1 ZINC000218127241 382789409 /nfs/dbraw/zinc/78/94/09/382789409.db2.gz HQYPMOIDOICCBE-UHFFFAOYSA-N 1 0 273.405 2.902 20 70 CFIDRO [NH3+]CC1CCN(C(=O)/C=C\c2ccc(Cl)cc2)CC1 ZINC000217481827 393756740 /nfs/dbraw/zinc/75/67/40/393756740.db2.gz ZYGUPHJBRAPIKT-UTCJRWHESA-N 1 0 278.783 2.551 20 70 CFIDRO CC[C@H]([NH3+])C(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000160082322 394365947 /nfs/dbraw/zinc/36/59/47/394365947.db2.gz GAPFCRPCUHQPEG-QWRGUYRKSA-N 1 0 287.190 2.834 20 70 CFIDRO CC[C@](C)(O)C[N@@H+]1CC[C@H](c2cc(OC)cc(OC)c2)C1 ZINC000161478970 394367121 /nfs/dbraw/zinc/36/71/21/394367121.db2.gz KQLAPIPVIDUHOG-GUYCJALGSA-N 1 0 293.407 2.654 20 70 CFIDRO C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000159528900 274319638 /nfs/dbraw/zinc/31/96/38/274319638.db2.gz PAPAAJWOFFRAPH-BWACUDIHSA-N 1 0 290.382 2.707 20 70 CFIDRO C[C@]1(c2ccccc2)CCCN(C(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000160101517 274653351 /nfs/dbraw/zinc/65/33/51/274653351.db2.gz FMMPMSHSWKMAOQ-WMZOPIPTSA-N 1 0 286.419 2.709 20 70 CFIDRO CC(C)C[C@@H]1CCCCN1C(=O)C[C@H]1CCC[NH2+]1 ZINC000160876269 275588456 /nfs/dbraw/zinc/58/84/56/275588456.db2.gz NJHVGIWKIBRFBG-KGLIPLIRSA-N 1 0 252.402 2.556 20 70 CFIDRO CCC[C@H]([NH3+])C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000161396310 276043351 /nfs/dbraw/zinc/04/33/51/276043351.db2.gz AJZYBTMNDDODME-STQMWFEESA-N 1 0 276.380 2.532 20 70 CFIDRO CC(C)c1ccc(N(C)C(=O)C[NH2+]C[C@H]2CCCO2)cc1 ZINC000161458564 278038259 /nfs/dbraw/zinc/03/82/59/278038259.db2.gz FAJSHTBRDXBNID-MRXNPFEDSA-N 1 0 290.407 2.541 20 70 CFIDRO CSC[C@](C)(O)C[NH2+]Cc1ccccc1C(F)(F)F ZINC000217867481 278140201 /nfs/dbraw/zinc/14/02/01/278140201.db2.gz GIBOFKJKCZJCRQ-GFCCVEGCSA-N 1 0 293.354 2.909 20 70 CFIDRO CC[C@H]([NH2+][C@@H](CCCO)c1ccccc1)[C@H]1CCOC1 ZINC000160850843 288063242 /nfs/dbraw/zinc/06/32/42/288063242.db2.gz ZFCFXOCBTWUPRC-ULQDDVLXSA-N 1 0 277.408 2.905 20 70 CFIDRO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NC(=O)C1CC[NH2+]CC1 ZINC000217821469 279991211 /nfs/dbraw/zinc/99/12/11/279991211.db2.gz GYTVFSDEKLXHHG-SNPRPXQTSA-N 1 0 266.429 2.563 20 70 CFIDRO C[C@H](CNC(=O)C1(C[NH3+])CCCC1)Sc1ccccc1 ZINC000161116819 289635984 /nfs/dbraw/zinc/63/59/84/289635984.db2.gz KZWDFPIBPWDSCB-CYBMUJFWSA-N 1 0 292.448 2.803 20 70 CFIDRO Cc1ccccc1[C@@H](NC(=O)[C@H]1CCC[NH2+]C1)C(C)C ZINC000159690365 302134658 /nfs/dbraw/zinc/13/46/58/302134658.db2.gz JXDMYDOHMFEQBZ-HOCLYGCPSA-N 1 0 274.408 2.808 20 70 CFIDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@@H]2CCOC(C)(C)C2)C1 ZINC000160530090 327618335 /nfs/dbraw/zinc/61/83/35/327618335.db2.gz HFDOBPONRZMDLP-CHWSQXEVSA-N 1 0 298.427 2.543 20 70 CFIDRO CCC([NH3+])(CC)CNC(=O)CCOc1cccc(Cl)c1 ZINC000160531283 327619050 /nfs/dbraw/zinc/61/90/50/327619050.db2.gz BRCJSMWFRJTJGQ-UHFFFAOYSA-N 1 0 298.814 2.743 20 70 CFIDRO C[C@@H]1CCCC[C@@H]1OCC[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159461402 322323124 /nfs/dbraw/zinc/32/31/24/322323124.db2.gz DDVWNUAHPHRIJD-UGUYLWEFSA-N 1 0 269.429 2.675 20 70 CFIDRO COc1ccc(CCC[N@H+](C)CCOCC2CC2)cc1 ZINC000159532611 322323865 /nfs/dbraw/zinc/32/38/65/322323865.db2.gz KGFQAPFPHFEMLS-UHFFFAOYSA-N 1 0 277.408 2.986 20 70 CFIDRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cc2cc(F)ccc2o1 ZINC000159521578 322324093 /nfs/dbraw/zinc/32/40/93/322324093.db2.gz YZCCIGWRBKYGJT-GHMZBOCLSA-N 1 0 290.338 2.658 20 70 CFIDRO CC[NH+]1CCC(NC(=O)[C@@H](C)OC2CCCCCC2)CC1 ZINC000159585590 322324430 /nfs/dbraw/zinc/32/44/30/322324430.db2.gz GHPOQENKKNLMJQ-CQSZACIVSA-N 1 0 296.455 2.715 20 70 CFIDRO COCCC1(C(=O)NCC[NH+](C(C)C)C(C)C)CCCC1 ZINC000159626040 322325273 /nfs/dbraw/zinc/32/52/73/322325273.db2.gz OTPDGSLAFKCNEO-UHFFFAOYSA-N 1 0 298.471 2.818 20 70 CFIDRO Cc1cc(C)c(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)[nH]1 ZINC000159634690 322325594 /nfs/dbraw/zinc/32/55/94/322325594.db2.gz DHWUCGVHFPDCPU-INIZCTEOSA-N 1 0 299.418 2.534 20 70 CFIDRO COc1cccc([C@@H](CNC(=O)C2=CCCC2)[NH+](C)C)c1 ZINC000159649257 322325906 /nfs/dbraw/zinc/32/59/06/322325906.db2.gz QLBMVDLZERXARA-MRXNPFEDSA-N 1 0 288.391 2.524 20 70 CFIDRO C[N@@H+](Cc1nc2ccc(F)cc2o1)C[C@H]1CCC[C@@H]1O ZINC000159736704 322327399 /nfs/dbraw/zinc/32/73/99/322327399.db2.gz PFTLSAZUTXZNKF-MFKMUULPSA-N 1 0 278.327 2.560 20 70 CFIDRO CC(C)[N@H+](CCc1nccs1)CCC(C)(C)O ZINC000159774991 322328026 /nfs/dbraw/zinc/32/80/26/322328026.db2.gz RYMWXKAVQHRLCR-UHFFFAOYSA-N 1 0 256.415 2.557 20 70 CFIDRO CC(C)[NH2+]CCC(=O)N1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000159877975 322329135 /nfs/dbraw/zinc/32/91/35/322329135.db2.gz ZYDOZOHXIDSQRK-RDBSUJKOSA-N 1 0 252.402 2.554 20 70 CFIDRO CC(C)C(=O)NCCC[NH2+][C@@H](C)c1ccccc1F ZINC000159991143 322331513 /nfs/dbraw/zinc/33/15/13/322331513.db2.gz ZULVXPYIIGBWAB-LBPRGKRZSA-N 1 0 266.360 2.639 20 70 CFIDRO CCCn1c(C)nnc1CN(C)[C@H]1C[C@@](C)(OC)C1(C)C ZINC000160108768 322333104 /nfs/dbraw/zinc/33/31/04/322333104.db2.gz VVNQLPFVFPMWJP-XJKSGUPXSA-N 1 0 294.443 2.632 20 70 CFIDRO CC[C@]1(C)C[C@@H]1C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000160204008 322334208 /nfs/dbraw/zinc/33/42/08/322334208.db2.gz DSYWEXQFVKQXJV-HLLBOEOZSA-N 1 0 274.408 2.842 20 70 CFIDRO CCSCC[C@H](C)NC(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000160208962 322334506 /nfs/dbraw/zinc/33/45/06/322334506.db2.gz WDXYFKKIUWLOSN-WFASDCNBSA-N 1 0 292.448 2.521 20 70 CFIDRO C[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)c1ccco1 ZINC000160223471 322334553 /nfs/dbraw/zinc/33/45/53/322334553.db2.gz XKPGSONTIPYUOF-UWVGGRQHSA-N 1 0 262.275 2.567 20 70 CFIDRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)C1CCC(F)(F)CC1 ZINC000160248509 322335336 /nfs/dbraw/zinc/33/53/36/322335336.db2.gz HPFGIUUQXIVKES-ZDUSSCGKSA-N 1 0 290.398 2.904 20 70 CFIDRO CC(C)(C)c1n[nH]cc1C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000160555606 322339570 /nfs/dbraw/zinc/33/95/70/322339570.db2.gz TZEUEFUHBJGBGM-GFCCVEGCSA-N 1 0 265.401 2.754 20 70 CFIDRO C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)[C@H](C)C1CCCCC1 ZINC000160571373 322339754 /nfs/dbraw/zinc/33/97/54/322339754.db2.gz MJIHUUDJGPUQGU-WDEREUQCSA-N 1 0 294.361 2.859 20 70 CFIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(F)cc1 ZINC000160573841 322340347 /nfs/dbraw/zinc/34/03/47/322340347.db2.gz CSXPDYAHUJJCLI-OAHLLOKOSA-N 1 0 278.371 2.676 20 70 CFIDRO CC[C@@H](C)OCC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000160655479 322341185 /nfs/dbraw/zinc/34/11/85/322341185.db2.gz MOLDSCQZIJJQHK-QLFBSQMISA-N 1 0 298.471 2.674 20 70 CFIDRO COc1cccc(N2CCN(Cc3cccnc3C)CC2)c1 ZINC000160694887 322341909 /nfs/dbraw/zinc/34/19/09/322341909.db2.gz QWWMYKLGNMCQJA-UHFFFAOYSA-N 1 0 297.402 2.721 20 70 CFIDRO CC(C)S(=O)(=O)CCC[N@H+](C)[C@H]1CCCC[C@@H]1C ZINC000160756298 322342398 /nfs/dbraw/zinc/34/23/98/322342398.db2.gz WCHGHBCJHXZRRT-KBPBESRZSA-N 1 0 275.458 2.710 20 70 CFIDRO CCc1cc(=O)[nH]c(C[N@H+](C2CC2)C2CCCC2)n1 ZINC000160780426 322343043 /nfs/dbraw/zinc/34/30/43/322343043.db2.gz HMSZUGZWUBFLRR-UHFFFAOYSA-N 1 0 261.369 2.652 20 70 CFIDRO CS[C@H](C)CC(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000160777790 322343151 /nfs/dbraw/zinc/34/31/51/322343151.db2.gz UZHWYGPDGNDEKL-GZBFAFLISA-N 1 0 286.485 2.755 20 70 CFIDRO Cc1occc1CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000160976465 322345331 /nfs/dbraw/zinc/34/53/31/322345331.db2.gz CMRKOLDSNJNOGV-UHFFFAOYSA-N 1 0 286.375 2.922 20 70 CFIDRO C[C@H]([NH2+]C[C@H]1CCc2ccccc21)c1cnn(C)c1 ZINC000160975743 322345480 /nfs/dbraw/zinc/34/54/80/322345480.db2.gz NOLSTCFZUPXMBL-GXTWGEPZSA-N 1 0 255.365 2.801 20 70 CFIDRO CC[C@H]1CCCN(C(C)(C)C[NH2+][C@@H](C)CCOC)C1 ZINC000161022497 322345924 /nfs/dbraw/zinc/34/59/24/322345924.db2.gz ILDMLWFCFJSSPS-GJZGRUSLSA-N 1 0 270.461 2.902 20 70 CFIDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cnc(C(C)C)s2)C1 ZINC000161081948 322346896 /nfs/dbraw/zinc/34/68/96/322346896.db2.gz XWZBXVBWGBMMOV-GFCCVEGCSA-N 1 0 295.452 2.728 20 70 CFIDRO Cc1ncc([C@H](C)[NH2+]CCc2ccc3c(c2)OCO3)c(C)n1 ZINC000161124238 322347452 /nfs/dbraw/zinc/34/74/52/322347452.db2.gz RBPMUWCHBJBLBR-NSHDSACASA-N 1 0 299.374 2.715 20 70 CFIDRO CCCN(Cc1ccc(C)c(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000161116236 322347662 /nfs/dbraw/zinc/34/76/62/322347662.db2.gz RWISZAABYPYJOC-AWEZNQCLSA-N 1 0 299.411 2.533 20 70 CFIDRO CC(C)[NH2+]CCC(=O)NCC(C)(C)c1cccc(F)c1 ZINC000161197081 322348900 /nfs/dbraw/zinc/34/89/00/322348900.db2.gz XDHJZTHEWKZXPQ-UHFFFAOYSA-N 1 0 280.387 2.608 20 70 CFIDRO CCOC(=O)[C@H]1CCCC[N@@H+]1C[C@H]1CC=CCC1 ZINC000161250185 322349363 /nfs/dbraw/zinc/34/93/63/322349363.db2.gz ZTDGIFVAOODPKX-UONOGXRCSA-N 1 0 251.370 2.760 20 70 CFIDRO C[C@@H]1CCCC[C@H]1C[NH2+]C[C@@H](O)COc1ccccc1 ZINC000218440515 329469980 /nfs/dbraw/zinc/46/99/80/329469980.db2.gz OLWHJSJKBHMZHJ-OWCLPIDISA-N 1 0 277.408 2.842 20 70 CFIDRO C[C@@H]1CCCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccccc1 ZINC000218440368 329470016 /nfs/dbraw/zinc/47/00/16/329470016.db2.gz OLWHJSJKBHMZHJ-BZUAXINKSA-N 1 0 277.408 2.842 20 70 CFIDRO CCCCS[C@H](C)C(=O)N1CCC[N@H+](CCC)CC1 ZINC000160369542 520968634 /nfs/dbraw/zinc/96/86/34/520968634.db2.gz VVCZCYNYDWKOIH-CQSZACIVSA-N 1 0 286.485 2.853 20 70 CFIDRO Brc1cncc(C[NH2+]CCC2CC2)c1 ZINC000160584365 518230979 /nfs/dbraw/zinc/23/09/79/518230979.db2.gz ALFPPJFQBXSWIB-UHFFFAOYSA-N 1 0 255.159 2.734 20 70 CFIDRO CC(C)[N@H+](CCc1nccs1)C[C@@H]1CCCO1 ZINC000159873497 519651730 /nfs/dbraw/zinc/65/17/30/519651730.db2.gz SUDPLNOSACADDG-LBPRGKRZSA-N 1 0 254.399 2.575 20 70 CFIDRO CC(C)NC(=O)C[NH2+][C@@H](C)c1cccc(-c2ccncc2)c1 ZINC000161005151 519708734 /nfs/dbraw/zinc/70/87/34/519708734.db2.gz QPDRMJXPRVXPSI-AWEZNQCLSA-N 1 0 297.402 2.924 20 70 CFIDRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CC2(CO)CCCC2)c1 ZINC000160102566 519746963 /nfs/dbraw/zinc/74/69/63/519746963.db2.gz VLRVQOAQWUIAOP-CYBMUJFWSA-N 1 0 290.407 2.848 20 70 CFIDRO CC(C)[C@H](C)[NH2+]CCCc1nnc2n1CCCCC2 ZINC000161145361 519813132 /nfs/dbraw/zinc/81/31/32/519813132.db2.gz ZITUECHTFLXCAJ-ZDUSSCGKSA-N 1 0 264.417 2.571 20 70 CFIDRO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]C1CCN(C(N)=O)CC1 ZINC000218159782 519825703 /nfs/dbraw/zinc/82/57/03/519825703.db2.gz XTTBUKHZYMKGOZ-YUELXQCFSA-N 1 0 281.444 2.580 20 70 CFIDRO CC(C)[C@H]1C[N@H+](Cc2cnc3ccccn23)CCS1 ZINC000160878392 519826998 /nfs/dbraw/zinc/82/69/98/519826998.db2.gz MESRONZPXOUOJJ-CQSZACIVSA-N 1 0 275.421 2.908 20 70 CFIDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cnn3ccccc23)C1(C)C ZINC000217871429 520432791 /nfs/dbraw/zinc/43/27/91/520432791.db2.gz GGKBAJIKXNLARV-LSDHHAIUSA-N 1 0 273.380 2.628 20 70 CFIDRO CCO[C@H]1C[C@@H]([NH2+]Cc2cc(OC)ccc2OC)C1(C)C ZINC000217893757 520550605 /nfs/dbraw/zinc/55/06/05/520550605.db2.gz NTRVHCLJYIFGES-CVEARBPZSA-N 1 0 293.407 2.997 20 70 CFIDRO CCOc1cccc(CNCC[N@H+](C)[C@H](C)CC)c1 ZINC000217389105 521362698 /nfs/dbraw/zinc/36/26/98/521362698.db2.gz MZEKFWKNHPHOKX-CQSZACIVSA-N 1 0 264.413 2.905 20 70 CFIDRO CCC(CC)CC(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159790659 521507375 /nfs/dbraw/zinc/50/73/75/521507375.db2.gz WWWIZCYODGEUKY-UHFFFAOYSA-N 1 0 266.429 2.803 20 70 CFIDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1c(C)nc2ccccn21 ZINC000161301270 521722336 /nfs/dbraw/zinc/72/23/36/521722336.db2.gz HHAFDPYWLFHXHA-CVEARBPZSA-N 1 0 298.434 2.701 20 70 CFIDRO CCSc1ccccc1[C@H](C)[NH2+]CC(=O)NC(C)C ZINC000160937079 521779685 /nfs/dbraw/zinc/77/96/85/521779685.db2.gz GBVHYOXSHVSSFL-LBPRGKRZSA-N 1 0 280.437 2.974 20 70 CFIDRO COC[C@@H]([NH2+]C[C@H](C)N1CCc2ccccc21)C(C)C ZINC000159931726 522356787 /nfs/dbraw/zinc/35/67/87/522356787.db2.gz WVFFZWWFFHBMQC-GOEBONIOSA-N 1 0 276.424 2.698 20 70 CFIDRO CCc1nc(Cl)c(C)c(N2CC[NH+](CC(C)C)CC2)n1 ZINC000159681818 522375605 /nfs/dbraw/zinc/37/56/05/522375605.db2.gz GJFDVSAEYHJVEE-UHFFFAOYSA-N 1 0 296.846 2.779 20 70 CFIDRO CC[C@@H](C)c1cc(C(=O)NCC[NH+]2CCC(C)CC2)on1 ZINC000160554716 522418419 /nfs/dbraw/zinc/41/84/19/522418419.db2.gz XBQGFTFWIZDWMU-CYBMUJFWSA-N 1 0 293.411 2.650 20 70 CFIDRO COC[C@H]([NH2+]C[C@@H](C1CCCCC1)N(C)C)C(C)C ZINC000160413140 522738109 /nfs/dbraw/zinc/73/81/09/522738109.db2.gz DZPWRRXTOWTJCS-HOTGVXAUSA-N 1 0 270.461 2.758 20 70 CFIDRO CC[C@@H]([NH2+]CC(=O)NC(C)C)c1cc(Cl)ccc1OC ZINC000160923180 522816610 /nfs/dbraw/zinc/81/66/10/522816610.db2.gz ROAKDUHFJZURGI-CYBMUJFWSA-N 1 0 298.814 2.914 20 70 CFIDRO COC[C@H]1CCC[N@H+](Cc2c(C)nc3ccccn32)C1 ZINC000160394371 522832773 /nfs/dbraw/zinc/83/27/73/522832773.db2.gz AJLRPFAGACNAQJ-AWEZNQCLSA-N 1 0 273.380 2.501 20 70 CFIDRO CC[C@@H]([NH2+]C[C@H]1CC(=O)Nc2ccccc21)c1cnn(C)c1 ZINC000160536912 522862868 /nfs/dbraw/zinc/86/28/68/522862868.db2.gz FUEFRTSBQYOLSP-IUODEOHRSA-N 1 0 298.390 2.587 20 70 CFIDRO CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)N(C)CC(F)(F)F ZINC000161429722 523060961 /nfs/dbraw/zinc/06/09/61/523060961.db2.gz ICZIXJSNDGJPFQ-WDEREUQCSA-N 1 0 280.334 2.566 20 70 CFIDRO CCn1cc([C@H](C)[NH2+]C[C@](C)(O)CCC(C)C)cn1 ZINC000159392147 523472893 /nfs/dbraw/zinc/47/28/93/523472893.db2.gz ZLHJWMYZNFIFFC-DZGCQCFKSA-N 1 0 267.417 2.741 20 70 CFIDRO COCCN(C)CC[NH2+][C@@H](C)c1cc(C)c(F)c(C)c1 ZINC000159428004 523606811 /nfs/dbraw/zinc/60/68/11/523606811.db2.gz OYXYOXUWAHPYQE-AWEZNQCLSA-N 1 0 282.403 2.671 20 70 CFIDRO CCn1nc(C[NH2+]CC2(CO)CCCC2)c2ccccc21 ZINC000160138214 523675722 /nfs/dbraw/zinc/67/57/22/523675722.db2.gz MZDYAHUYNOKDJB-UHFFFAOYSA-N 1 0 287.407 2.699 20 70 CFIDRO CN(C(=O)c1ccc(C(C)(C)C)cc1)[C@H](C[NH3+])C1CC1 ZINC000159848156 523929644 /nfs/dbraw/zinc/92/96/44/523929644.db2.gz YNYLFMNNCZHYOV-OAHLLOKOSA-N 1 0 274.408 2.793 20 70 CFIDRO C[C@H](CC1CCCC1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160233085 524102485 /nfs/dbraw/zinc/10/24/85/524102485.db2.gz WPKBAKGRBWFQHP-YUELXQCFSA-N 1 0 264.413 2.556 20 70 CFIDRO COc1cccc([C@H]2CCC[N@@H+]2CCCCCO)c1 ZINC000160959156 524177929 /nfs/dbraw/zinc/17/79/29/524177929.db2.gz PQAVPTZPYQVYQN-MRXNPFEDSA-N 1 0 263.381 2.995 20 70 CFIDRO C[C@@H](CCn1cccn1)[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000159495254 524553909 /nfs/dbraw/zinc/55/39/09/524553909.db2.gz KMHHXOUACPNYHM-QWHCGFSZSA-N 1 0 265.401 2.597 20 70 CFIDRO Cc1cccc([C@@H](C)[NH2+]CC(=O)NC2CCCC2)c1 ZINC000160221498 524827218 /nfs/dbraw/zinc/82/72/18/524827218.db2.gz NZWAJBJYSMOLJX-CYBMUJFWSA-N 1 0 260.381 2.704 20 70 CFIDRO C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CCCN1CCCC1=O ZINC000159589932 524983154 /nfs/dbraw/zinc/98/31/54/524983154.db2.gz DPPWIWQERBZFTL-YVEFUNNKSA-N 1 0 290.382 2.661 20 70 CFIDRO Cc1ccccc1C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000161409581 525140689 /nfs/dbraw/zinc/14/06/89/525140689.db2.gz AGYHCUCITJGUBI-INIZCTEOSA-N 1 0 296.418 2.912 20 70 CFIDRO C[C@@H]([NH2+]CC1(CO)CCCC1)c1nc2ccccc2n1C ZINC000160096674 525422001 /nfs/dbraw/zinc/42/20/01/525422001.db2.gz WYUUXQOOIPGHRS-CYBMUJFWSA-N 1 0 287.407 2.777 20 70 CFIDRO C[C@@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)c1cncs1 ZINC000161048997 525680220 /nfs/dbraw/zinc/68/02/20/525680220.db2.gz KTZRRMJAVHPDAS-WOPDTQHZSA-N 1 0 253.415 2.667 20 70 CFIDRO Cc1ccc(C(=O)CC[N@H+]2CCC[C@@H](C)[C@@H]2CO)cc1 ZINC000160944141 526045486 /nfs/dbraw/zinc/04/54/86/526045486.db2.gz BPRMELUYDQDIOK-ZBFHGGJFSA-N 1 0 275.392 2.661 20 70 CFIDRO OCC1(C[NH2+]Cc2cn3cc(Cl)ccc3n2)CCCC1 ZINC000160152348 527523659 /nfs/dbraw/zinc/52/36/59/527523659.db2.gz SWKDSXIOYMOLRZ-UHFFFAOYSA-N 1 0 293.798 2.630 20 70 CFIDRO O=C(NCCCCCOC1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000159534331 527642386 /nfs/dbraw/zinc/64/23/86/527642386.db2.gz HUNKVWGNWJSXDU-OAHLLOKOSA-N 1 0 296.455 2.622 20 70 CFIDRO CC(C)N(CCc1nccs1)CC[NH+]1CCCCC1 ZINC000159860630 528915146 /nfs/dbraw/zinc/91/51/46/528915146.db2.gz IZHJRTPQAZSFEG-UHFFFAOYSA-N 1 0 281.469 2.882 20 70 CFIDRO CC[N@@H+]1CCCN(C(=O)NCC(CC)(CC)CC)CC1 ZINC000159983401 529023857 /nfs/dbraw/zinc/02/38/57/529023857.db2.gz KXFKNTNSGYUWMW-UHFFFAOYSA-N 1 0 283.460 2.940 20 70 CFIDRO CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C)cc1 ZINC000159921441 529175200 /nfs/dbraw/zinc/17/52/00/529175200.db2.gz UHCQJQMBGZFFQX-MJBXVCDLSA-N 1 0 262.397 2.949 20 70 CFIDRO CC[C@H]1CCC[C@H](NC(=O)N2CCC[N@H+](CC)CC2)C1 ZINC000159894528 529230174 /nfs/dbraw/zinc/23/01/74/529230174.db2.gz WEJCGXJPTVUPAK-GJZGRUSLSA-N 1 0 281.444 2.692 20 70 CFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccccc1C)CC2 ZINC000159596925 282125964 /nfs/dbraw/zinc/12/59/64/282125964.db2.gz HZTHAJRQXJHSNO-GXTWGEPZSA-N 1 0 270.380 2.561 20 70 CFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cc(C)cc(C)c1)CC2 ZINC000160304068 282126867 /nfs/dbraw/zinc/12/68/67/282126867.db2.gz WAUHNLWUTJDOFP-CZUORRHYSA-N 1 0 284.407 2.869 20 70 CFIDRO C[NH2+]C[C@@H](C)C(=O)N(C)[C@H](C)c1cc(C)ccc1C ZINC000159968052 290670850 /nfs/dbraw/zinc/67/08/50/290670850.db2.gz DHKQWNVVHVGODF-ZIAGYGMSSA-N 1 0 262.397 2.678 20 70 CFIDRO O=C(NCCCCCOC1CCCCC1)[C@H]1CCCC[NH2+]1 ZINC000159533377 232244670 /nfs/dbraw/zinc/24/46/70/232244670.db2.gz CCLQKNRHVCEVNS-MRXNPFEDSA-N 1 0 296.455 2.764 20 70 CFIDRO O=C(NCCCCCOC1CCCCC1)[C@@H]1CCCC[NH2+]1 ZINC000159533242 232244688 /nfs/dbraw/zinc/24/46/88/232244688.db2.gz CCLQKNRHVCEVNS-INIZCTEOSA-N 1 0 296.455 2.764 20 70 CFIDRO Fc1cc(F)cc(CNC2CC[NH+](C3CC3)CC2)c1 ZINC000159664218 232245766 /nfs/dbraw/zinc/24/57/66/232245766.db2.gz NVZGWKQRYKRZRF-UHFFFAOYSA-N 1 0 266.335 2.681 20 70 CFIDRO C[C@H]([NH2+]CC1(c2ccc(F)cc2)CC1)c1cnccn1 ZINC000161359918 232252156 /nfs/dbraw/zinc/25/21/56/232252156.db2.gz FZQOVMGBVBHGAP-LBPRGKRZSA-N 1 0 271.339 2.998 20 70 CFIDRO OC1(C[NH2+]CCc2cccc3cccnc32)CCCC1 ZINC000159372899 348012376 /nfs/dbraw/zinc/01/23/76/348012376.db2.gz USULOHZMVXSGKX-UHFFFAOYSA-N 1 0 270.376 2.672 20 70 CFIDRO [NH3+]Cc1ccc(CNC(=O)c2cc3c(s2)CCC3)cc1 ZINC000159569588 348013319 /nfs/dbraw/zinc/01/33/19/348013319.db2.gz AGPYRGBZTXJKEX-UHFFFAOYSA-N 1 0 286.400 2.626 20 70 CFIDRO Cc1ccc2c(c1)N(C(=O)CC[NH2+]C(C)C)CCC2 ZINC000159748435 348014207 /nfs/dbraw/zinc/01/42/07/348014207.db2.gz YFJATOAQFCGOML-UHFFFAOYSA-N 1 0 260.381 2.662 20 70 CFIDRO CCc1ccc([C@@H](C)CC(=O)NC[C@H]2CCC[N@@H+]2C)cc1 ZINC000160134159 348015793 /nfs/dbraw/zinc/01/57/93/348015793.db2.gz KPOKJBCSPOHBPX-WMLDXEAASA-N 1 0 288.435 2.953 20 70 CFIDRO COc1cc(NC(=O)CC[C@H]2CCC[NH2+]C2)ccc1F ZINC000160343116 348016794 /nfs/dbraw/zinc/01/67/94/348016794.db2.gz JAUMQPSBZQJUIW-LLVKDONJSA-N 1 0 280.343 2.553 20 70 CFIDRO C[NH+](C)C[C@H]1CCN(C(=O)C2CCC(C)(C)CC2)C1 ZINC000160369443 348017013 /nfs/dbraw/zinc/01/70/13/348017013.db2.gz NBTABWWHVBXEMW-CYBMUJFWSA-N 1 0 266.429 2.613 20 70 CFIDRO CCSCC[C@@H](C)NC(=O)c1cccc2c1CC[NH2+]C2 ZINC000160217349 348017098 /nfs/dbraw/zinc/01/70/98/348017098.db2.gz JVXSQZWQVJQFIJ-GFCCVEGCSA-N 1 0 292.448 2.594 20 70 CFIDRO CCC(CC)CNC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000160539344 348019039 /nfs/dbraw/zinc/01/90/39/348019039.db2.gz GFRZOIASOWCZQK-UHFFFAOYSA-N 1 0 281.444 2.692 20 70 CFIDRO CC[C@@H]1CCCN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000160700660 348019871 /nfs/dbraw/zinc/01/98/71/348019871.db2.gz FYCDSGMEWXESFY-ZBFHGGJFSA-N 1 0 293.455 2.692 20 70 CFIDRO CC[C@H]1CCCN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000160700802 348019943 /nfs/dbraw/zinc/01/99/43/348019943.db2.gz FYCDSGMEWXESFY-HOCLYGCPSA-N 1 0 293.455 2.692 20 70 CFIDRO C[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c2ccccc21 ZINC000160760234 348020383 /nfs/dbraw/zinc/02/03/83/348020383.db2.gz CFKWJASMCWHDKU-HIFRSBDPSA-N 1 0 299.418 2.804 20 70 CFIDRO C[C@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000160816673 348021448 /nfs/dbraw/zinc/02/14/48/348021448.db2.gz KJBSOBCDEMEOOS-LSDHHAIUSA-N 1 0 293.455 2.835 20 70 CFIDRO C[C@@H]1C[C@H](C)CN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000160887009 348022168 /nfs/dbraw/zinc/02/21/68/348022168.db2.gz HQEFDRKEVWRYBG-QLFBSQMISA-N 1 0 293.455 2.691 20 70 CFIDRO CC[C@@H](C)[N@H+](C)CCN[C@@H]1CCCc2cccnc21 ZINC000217841253 539668911 /nfs/dbraw/zinc/66/89/11/539668911.db2.gz HLYSRKASHSCBQV-UKRRQHHQSA-N 1 0 261.413 2.779 20 70 CFIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000160965309 539730346 /nfs/dbraw/zinc/73/03/46/539730346.db2.gz GLMOJXBMIVIZEL-NWDGAFQWSA-N 1 0 286.297 2.705 20 70 CFIDRO CC[NH+](CC)[C@H]1CCN(C(=O)C[C@H](C)c2ccncc2)C1 ZINC000160824822 539829091 /nfs/dbraw/zinc/82/90/91/539829091.db2.gz LHSXUSYXTYTXBS-HOCLYGCPSA-N 1 0 289.423 2.518 20 70 CFIDRO CC[C@@H](NCc1ccccc1C[NH+](CC)CC)C(=O)OC ZINC000159480828 188427659 /nfs/dbraw/zinc/42/76/59/188427659.db2.gz JRATYEKFVUBPEQ-MRXNPFEDSA-N 1 0 292.423 2.570 20 70 CFIDRO C[C@@H](c1cccc(F)c1)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159559509 188431748 /nfs/dbraw/zinc/43/17/48/188431748.db2.gz JTNRFVNFCAPYQZ-WHOFXGATSA-N 1 0 251.345 2.980 20 70 CFIDRO Cc1ccc([C@H](C)CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000159657669 188435774 /nfs/dbraw/zinc/43/57/74/188435774.db2.gz RMFCKQAYUQMTAD-KBMXLJTQSA-N 1 0 274.408 2.732 20 70 CFIDRO [NH3+]C1(CNC(=O)Cc2ccc(Cl)cc2)CCCCC1 ZINC000159734476 188439043 /nfs/dbraw/zinc/43/90/43/188439043.db2.gz AATOZARAROVWHN-UHFFFAOYSA-N 1 0 280.799 2.660 20 70 CFIDRO CCNC(=O)c1cccc(C[NH2+][C@H](C)[C@@H](C)CC)c1 ZINC000160160732 188458272 /nfs/dbraw/zinc/45/82/72/188458272.db2.gz CQURXAOVJTTWHF-QWHCGFSZSA-N 1 0 262.397 2.961 20 70 CFIDRO CC(C)([NH3+])CNC(=O)/C=C/c1cc(Cl)ccc1Cl ZINC000160015165 188451166 /nfs/dbraw/zinc/45/11/66/188451166.db2.gz IKSAAIFMJSIMMY-ZZXKWVIFSA-N 1 0 287.190 2.860 20 70 CFIDRO CC[NH2+]CC1CCN(C(=O)[C@H](C)c2cccs2)CC1 ZINC000161054627 188505716 /nfs/dbraw/zinc/50/57/16/188505716.db2.gz APBJBQYHRKPTAU-GFCCVEGCSA-N 1 0 280.437 2.700 20 70 CFIDRO Cc1cccc(C(=O)NCCC[NH+]2CCCCC2)c1F ZINC000161416112 188526831 /nfs/dbraw/zinc/52/68/31/188526831.db2.gz OXHYDEMADCJQMT-UHFFFAOYSA-N 1 0 278.371 2.740 20 70 CFIDRO COc1cc(N[C@@H](C)C2CC[NH+](C)CC2)ccc1F ZINC000159960457 540542054 /nfs/dbraw/zinc/54/20/54/540542054.db2.gz QMQHPCXTPRWZKH-NSHDSACASA-N 1 0 266.360 2.977 20 70 CFIDRO C[C@@H](CCC(C)(C)C)NC(=O)c1ccc(C[NH3+])o1 ZINC000159770975 540662998 /nfs/dbraw/zinc/66/29/98/540662998.db2.gz NOWSXEYKPZECSF-JTQLQIEISA-N 1 0 252.358 2.683 20 70 CFIDRO [NH3+]C1(CC(=O)Nc2ccccc2OCC2CC2)CCC1 ZINC000160527598 540675246 /nfs/dbraw/zinc/67/52/46/540675246.db2.gz BTKZKTAUUXOPAU-UHFFFAOYSA-N 1 0 274.364 2.685 20 70 CFIDRO Cc1ccc(-c2ocnc2C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000160982461 540685351 /nfs/dbraw/zinc/68/53/51/540685351.db2.gz VKGXYSCHUUWRRL-ZIAGYGMSSA-N 1 0 299.374 2.650 20 70 CFIDRO Cc1ccc2cccc(C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)c2n1 ZINC000161409162 540692657 /nfs/dbraw/zinc/69/26/57/540692657.db2.gz XSDRWSABHOGIKE-ZIAGYGMSSA-N 1 0 283.375 2.543 20 70 CFIDRO CC(C)[C@H](Cc1ccccc1)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161245426 540691388 /nfs/dbraw/zinc/69/13/88/540691388.db2.gz CJHPCYXSEOCBIB-ULQDDVLXSA-N 1 0 288.435 2.887 20 70 CFIDRO C[C@@H]1CN(C(=O)c2cc3ccc(F)cc3s2)CC[C@@H]1[NH3+] ZINC000161213903 540691499 /nfs/dbraw/zinc/69/14/99/540691499.db2.gz DBWZRCSZXSAZRT-SKDRFNHKSA-N 1 0 292.379 2.850 20 70 CFIDRO C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000161417478 540693404 /nfs/dbraw/zinc/69/34/04/540693404.db2.gz JZSXRUXOLWWOGM-MIGQKNRLSA-N 1 0 272.392 2.518 20 70 CFIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2cc3cccc(F)c3o2)C1 ZINC000161444733 540693453 /nfs/dbraw/zinc/69/34/53/540693453.db2.gz IBEIRQRGUFUODV-WDEREUQCSA-N 1 0 276.311 2.572 20 70 CFIDRO C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000161417723 540693554 /nfs/dbraw/zinc/69/35/54/540693554.db2.gz JZSXRUXOLWWOGM-BVUBDWEXSA-N 1 0 272.392 2.518 20 70 CFIDRO Cc1cccc([C@@H]2CCC[N@H+]2CCCc2cnn(C)c2)n1 ZINC000159819533 541012864 /nfs/dbraw/zinc/01/28/64/541012864.db2.gz MUQKIQGEBIGENZ-KRWDZBQOSA-N 1 0 284.407 2.893 20 70 CFIDRO Cc1nccc(NC(=O)NCC[N@@H+](C)C(C)C)c1Cl ZINC000159631049 541003150 /nfs/dbraw/zinc/00/31/50/541003150.db2.gz LLABVNMMXGGFPK-UHFFFAOYSA-N 1 0 284.791 2.505 20 70 CFIDRO CCn1nccc1C[NH2+][C@@H](C)Cc1ccccc1F ZINC000160108348 541021316 /nfs/dbraw/zinc/02/13/16/541021316.db2.gz YHNHLMHOHYACQC-LBPRGKRZSA-N 1 0 261.344 2.763 20 70 CFIDRO O=C(CCC[NH2+][C@@H]1CCCOC1)Nc1ccc(Cl)cc1 ZINC000160804997 541479614 /nfs/dbraw/zinc/47/96/14/541479614.db2.gz NNZKFTBDBKYUAT-CQSZACIVSA-N 1 0 296.798 2.827 20 70 CFIDRO CC(=O)NC1CCC([NH2+]CCC2CCCCC2)CC1 ZINC000161255945 541573813 /nfs/dbraw/zinc/57/38/13/541573813.db2.gz LUFGGPJFTZCRKD-UHFFFAOYSA-N 1 0 266.429 2.994 20 70 CFIDRO Oc1ccc(C[NH2+][C@H]2CCc3c2cccc3O)cc1 ZINC000161479654 541651451 /nfs/dbraw/zinc/65/14/51/541651451.db2.gz XVQUCBDKXZOJRM-HNNXBMFYSA-N 1 0 255.317 2.875 20 70 CFIDRO O=C([C@H]1CCC[NH2+]C1)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000159812279 284556467 /nfs/dbraw/zinc/55/64/67/284556467.db2.gz VGPJCTIKHFPVKK-KBPBESRZSA-N 1 0 292.810 2.656 20 70 CFIDRO C[C@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(C[NH3+])cc1 ZINC000159878675 378735181 /nfs/dbraw/zinc/73/51/81/378735181.db2.gz AYNKDUWENGMRDU-RCBQFDQVSA-N 1 0 272.392 2.939 20 70 CFIDRO CSCC[C@H]([NH3+])C(=O)N1CCCC2(CCCCC2)C1 ZINC000159859379 378735779 /nfs/dbraw/zinc/73/57/79/378735779.db2.gz VKFVASJERNJAMB-ZDUSSCGKSA-N 1 0 284.469 2.640 20 70 CFIDRO CC[C@H]([NH2+]C[C@@H](C)N1CCc2ccccc21)c1cnn(C)c1 ZINC000159903100 378737003 /nfs/dbraw/zinc/73/70/03/378737003.db2.gz RDDKSSAIUYDYJA-PBHICJAKSA-N 1 0 298.434 2.912 20 70 CFIDRO CC(C)CSCCC[NH2+][C@@H](C(N)=O)c1ccccc1 ZINC000160021974 378743278 /nfs/dbraw/zinc/74/32/78/378743278.db2.gz AOBXXKIOPVITEY-CQSZACIVSA-N 1 0 280.437 2.582 20 70 CFIDRO CC(C)Oc1ccc(CN[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cn1 ZINC000160065845 378747456 /nfs/dbraw/zinc/74/74/56/378747456.db2.gz GSMKIWLYLZYKAP-IJEWVQPXSA-N 1 0 291.439 2.687 20 70 CFIDRO CCCN(CCc1cccc(F)c1)C(=O)[C@@H]1CCCC[NH2+]1 ZINC000160095985 378748483 /nfs/dbraw/zinc/74/84/83/378748483.db2.gz RYNDVEQCHINTAF-INIZCTEOSA-N 1 0 292.398 2.749 20 70 CFIDRO CC[C@H](C)[N@H+](C)CCN[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000160109196 378750395 /nfs/dbraw/zinc/75/03/95/378750395.db2.gz ZTXNDKMHTPNASA-KBPBESRZSA-N 1 0 292.423 2.839 20 70 CFIDRO O=C(c1c(Cl)cccc1Cl)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160142456 378751813 /nfs/dbraw/zinc/75/18/13/378751813.db2.gz KFCLZISVBJTTHU-AOOOYVTPSA-N 1 0 299.201 2.960 20 70 CFIDRO [NH3+]C[C@@H]1CCCN1C(=O)/C=C/c1cccc2ccccc12 ZINC000160154952 378752501 /nfs/dbraw/zinc/75/25/01/378752501.db2.gz QBXCABYBEPPXOU-OFAQMXQXSA-N 1 0 280.371 2.803 20 70 CFIDRO CSC[C@H](CCO)[NH2+][C@H](CC(C)C)c1ccccn1 ZINC000160174488 378753499 /nfs/dbraw/zinc/75/34/99/378753499.db2.gz FNIWMZPUYDTAGX-DZGCQCFKSA-N 1 0 282.453 2.872 20 70 CFIDRO C[C@@]1([NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)CCOC1 ZINC000160181951 378753507 /nfs/dbraw/zinc/75/35/07/378753507.db2.gz KCBYTBVQUNEKDC-OAHLLOKOSA-N 1 0 297.782 2.770 20 70 CFIDRO Cc1cc(C)cc(CC[NH2+][C@@H](C)c2cnccn2)c1 ZINC000159475881 378711929 /nfs/dbraw/zinc/71/19/29/378711929.db2.gz ZJIYGJYTPVSTDE-AWEZNQCLSA-N 1 0 255.365 2.987 20 70 CFIDRO Cc1nc(C)c(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)s1 ZINC000159474962 378712147 /nfs/dbraw/zinc/71/21/47/378712147.db2.gz MUELZHQHAIWSOM-UBHSHLNASA-N 1 0 278.421 2.807 20 70 CFIDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)CCCn1cccc1 ZINC000159530416 378715391 /nfs/dbraw/zinc/71/53/91/378715391.db2.gz QGGNZICTBZDIPX-MRXNPFEDSA-N 1 0 291.439 2.649 20 70 CFIDRO [NH3+]C1(CNC(=O)c2nccc3ccccc32)CCCCC1 ZINC000159561259 378717654 /nfs/dbraw/zinc/71/76/54/378717654.db2.gz CGANNUNDRHTAQZ-UHFFFAOYSA-N 1 0 283.375 2.626 20 70 CFIDRO COCc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000159591246 378719101 /nfs/dbraw/zinc/71/91/01/378719101.db2.gz ZFYJWONRNCFNHY-ZACQAIPSSA-N 1 0 287.403 2.880 20 70 CFIDRO COc1cccc(C[NH2+][C@H]2[C@H]3CCO[C@@H]3C23CCC3)c1 ZINC000159617290 378720042 /nfs/dbraw/zinc/72/00/42/378720042.db2.gz GEFCQYZJMLABQL-PMPSAXMXSA-N 1 0 273.376 2.742 20 70 CFIDRO Fc1cc(F)cc(C[NH2+]CCCOC[C@@H]2CCCO2)c1 ZINC000159643161 378721267 /nfs/dbraw/zinc/72/12/67/378721267.db2.gz CQOPSIORNICXCY-HNNXBMFYSA-N 1 0 285.334 2.640 20 70 CFIDRO Cc1cccc(C(=O)NCC[NH+](C(C)C)C(C)C)c1F ZINC000159627135 378721688 /nfs/dbraw/zinc/72/16/88/378721688.db2.gz IZMNNFOKFRTLSW-UHFFFAOYSA-N 1 0 280.387 2.983 20 70 CFIDRO Cc1ccc([C@@H](C)CNC(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2[NH3+])cc1 ZINC000159656661 378723259 /nfs/dbraw/zinc/72/32/59/378723259.db2.gz ZQSUNXSPYFHRLC-UTSOLEGOSA-N 1 0 286.419 2.588 20 70 CFIDRO COc1cccc([C@@H]2CCC[N@@H+]2CCn2ccnc2)c1 ZINC000159692190 378724276 /nfs/dbraw/zinc/72/42/76/378724276.db2.gz CXQBAAXWXSJNKR-INIZCTEOSA-N 1 0 271.364 2.729 20 70 CFIDRO COc1cccc([C@H]2CCC[N@@H+]2CCn2ccnc2)c1 ZINC000159692309 378724392 /nfs/dbraw/zinc/72/43/92/378724392.db2.gz CXQBAAXWXSJNKR-MRXNPFEDSA-N 1 0 271.364 2.729 20 70 CFIDRO C[C@@H]1C[C@@H]([NH2+]CCO)c2cccc(Br)c21 ZINC000159707001 378726480 /nfs/dbraw/zinc/72/64/80/378726480.db2.gz QTXGXCJEDOVNNH-LDYMZIIASA-N 1 0 270.170 2.579 20 70 CFIDRO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)CCn1ccnc1 ZINC000159709613 378726576 /nfs/dbraw/zinc/72/65/76/378726576.db2.gz LHWCJTQQNIGKNK-LLVKDONJSA-N 1 0 265.307 2.854 20 70 CFIDRO CC(C)(C)[C@H]([NH3+])C(=O)NCC(C)(C)c1cccc(F)c1 ZINC000159705348 378726621 /nfs/dbraw/zinc/72/66/21/378726621.db2.gz VEGMWPAMBVJMDW-CYBMUJFWSA-N 1 0 280.387 2.593 20 70 CFIDRO O=C(N[C@H]1CCC[C@@H]1c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000159712296 378726657 /nfs/dbraw/zinc/72/66/57/378726657.db2.gz NUCKGCZHXGUACW-PMPSAXMXSA-N 1 0 272.392 2.581 20 70 CFIDRO C[C@H]([NH2+]CCCc1cccc(F)c1)[C@@H]1CCOC1 ZINC000159755177 378729186 /nfs/dbraw/zinc/72/91/86/378729186.db2.gz TVMAFEFMBOZSMB-GXTWGEPZSA-N 1 0 251.345 2.773 20 70 CFIDRO Cc1oc2ccccc2c1C[NH+]1CCC(CC(N)=O)CC1 ZINC000159781348 378730627 /nfs/dbraw/zinc/73/06/27/378730627.db2.gz XVGXPTKDFXMZJA-UHFFFAOYSA-N 1 0 286.375 2.829 20 70 CFIDRO C[NH+](C)C[C@H]1CCN(C(=O)CC/C=C/c2ccccc2)C1 ZINC000160274082 378760942 /nfs/dbraw/zinc/76/09/42/378760942.db2.gz PLIYOKWTCREZSY-DKISHCGFSA-N 1 0 286.419 2.890 20 70 CFIDRO CC[C@H](C(=O)NCc1ccccc1OCC(C)C)[NH+](C)C ZINC000160295296 378762318 /nfs/dbraw/zinc/76/23/18/378762318.db2.gz UMVFNIZDIQIHPR-OAHLLOKOSA-N 1 0 292.423 2.678 20 70 CFIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cccc(C)c1C)CC2 ZINC000160351116 378765565 /nfs/dbraw/zinc/76/55/65/378765565.db2.gz RYEFIMYGXVDAOT-ZFWWWQNUSA-N 1 0 284.407 2.869 20 70 CFIDRO CCc1nnc(C[NH2+][C@@H](C)C(C)(C)c2ccccc2)[nH]1 ZINC000160401981 378770419 /nfs/dbraw/zinc/77/04/19/378770419.db2.gz KLTLDBALTOFHHX-LBPRGKRZSA-N 1 0 272.396 2.823 20 70 CFIDRO O=C(C[C@@H]1CCC[NH2+]1)NC1(c2cccc(Cl)c2)CC1 ZINC000160523170 378779489 /nfs/dbraw/zinc/77/94/89/378779489.db2.gz IJJUQXPLVVOQLZ-ZDUSSCGKSA-N 1 0 278.783 2.587 20 70 CFIDRO O=C(N1CCC(C[NH+]2CCCC2)CC1)N1CCCCCC1 ZINC000160542541 378780041 /nfs/dbraw/zinc/78/00/41/378780041.db2.gz HZPIMQDKEGYCLF-UHFFFAOYSA-N 1 0 293.455 2.790 20 70 CFIDRO CC(=O)Nc1ccccc1C[NH2+][C@H]1CCOC(C)(C)C1 ZINC000160550467 378780096 /nfs/dbraw/zinc/78/00/96/378780096.db2.gz WFMZKCZLMVOQQR-AWEZNQCLSA-N 1 0 276.380 2.692 20 70 CFIDRO CC(=O)Nc1ccccc1C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000160550345 378781253 /nfs/dbraw/zinc/78/12/53/378781253.db2.gz WFMZKCZLMVOQQR-CQSZACIVSA-N 1 0 276.380 2.692 20 70 CFIDRO CC(C)(O)C[NH2+][C@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000160632463 378785886 /nfs/dbraw/zinc/78/58/86/378785886.db2.gz CQGOZSYFCBJXBY-KGLIPLIRSA-N 1 0 251.345 2.822 20 70 CFIDRO CCC[N@H+](CCO)Cc1cc(OC)ccc1OC(F)F ZINC000161214535 378831696 /nfs/dbraw/zinc/83/16/96/378831696.db2.gz QXQSYXZQXOUIAO-UHFFFAOYSA-N 1 0 289.322 2.501 20 70 CFIDRO CSc1cc(C(=O)N2CCC[C@@H]([NH+](C)C)C2)ccc1F ZINC000161235530 378832303 /nfs/dbraw/zinc/83/23/03/378832303.db2.gz NRHZDQPHINLISJ-GFCCVEGCSA-N 1 0 296.411 2.714 20 70 CFIDRO CC(C)[C@H](NC(=O)[C@H](C)[NH3+])c1ccccc1Cl ZINC000160829393 378802425 /nfs/dbraw/zinc/80/24/25/378802425.db2.gz VHLDHUPSFIXELI-CABZTGNLSA-N 1 0 254.761 2.501 20 70 CFIDRO CSCC[C@H]([NH3+])C(=O)N[C@@H](C)c1cccc(C)c1C ZINC000160836523 378802514 /nfs/dbraw/zinc/80/25/14/378802514.db2.gz KDGUEAASHOPHBJ-JSGCOSHPSA-N 1 0 280.437 2.561 20 70 CFIDRO C[C@@H](C[NH2+][C@@H](C)[C@@H]1CCOC1)N(C)Cc1ccccc1 ZINC000160858237 378803816 /nfs/dbraw/zinc/80/38/16/378803816.db2.gz AQXVPZBODNXECA-YQQAZPJKSA-N 1 0 276.424 2.522 20 70 CFIDRO CCC(CC)(C(=O)N1CCC[NH2+]CC1)c1ccccc1 ZINC000160844546 378804555 /nfs/dbraw/zinc/80/45/55/378804555.db2.gz LEVVQGQEAKNKQI-UHFFFAOYSA-N 1 0 274.408 2.566 20 70 CFIDRO CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1ccc(C)s1 ZINC000160938077 378810955 /nfs/dbraw/zinc/81/09/55/378810955.db2.gz FUUOGSXDOTUTRU-LLVKDONJSA-N 1 0 268.426 2.793 20 70 CFIDRO C[C@@H]([NH3+])C(=O)N[C@@H](C)c1cccc(Cl)c1Cl ZINC000160986223 378813079 /nfs/dbraw/zinc/81/30/79/378813079.db2.gz NBARJVOQTJUJBK-RQJHMYQMSA-N 1 0 261.152 2.518 20 70 CFIDRO CC[NH2+]CC1CCN(C(=O)C[C@@H](CC)C(C)C)CC1 ZINC000161003260 378814310 /nfs/dbraw/zinc/81/43/10/378814310.db2.gz OZEAGVPNUONABV-OAHLLOKOSA-N 1 0 268.445 2.907 20 70 CFIDRO C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)C2CC[NH2+]CC2)C1 ZINC000161045790 378818698 /nfs/dbraw/zinc/81/86/98/378818698.db2.gz GVALUMOKBICBFY-BLLLJJGKSA-N 1 0 290.382 2.735 20 70 CFIDRO C[N@H+](Cc1cnn(-c2ccccc2)c1)[C@H]1CCCC[C@@H]1O ZINC000161083794 378819733 /nfs/dbraw/zinc/81/97/33/378819733.db2.gz NMOUNGNSBHNARB-IRXDYDNUSA-N 1 0 285.391 2.608 20 70 CFIDRO CCC(CC)c1cc(CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)on1 ZINC000161109824 378823063 /nfs/dbraw/zinc/82/30/63/378823063.db2.gz YGTRAYGMXZEGPU-CHWSQXEVSA-N 1 0 293.411 2.712 20 70 CFIDRO CC[C@H](Cc1ccc(C)cc1)[N@H+](C)CC(OC)OC ZINC000161281365 378835840 /nfs/dbraw/zinc/83/58/40/378835840.db2.gz OXVWPBOJGLBHJO-OAHLLOKOSA-N 1 0 265.397 2.867 20 70 CFIDRO CCC[C@@H]([NH3+])C(=O)N[C@H](C)c1ccc(F)cc1Cl ZINC000161152259 378825902 /nfs/dbraw/zinc/82/59/02/378825902.db2.gz QCLUMPYVQIRWJI-PRHODGIISA-N 1 0 272.751 2.784 20 70 CFIDRO C[C@H]([NH2+]C[C@@H](CO)c1ccccc1)c1cncs1 ZINC000161467521 378848935 /nfs/dbraw/zinc/84/89/35/378848935.db2.gz NWTHJCJIAKLFLN-AAEUAGOBSA-N 1 0 262.378 2.570 20 70 CFIDRO CCOCC[NH2+][C@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000161471564 378849178 /nfs/dbraw/zinc/84/91/78/378849178.db2.gz SIVOKZJKFQTGTP-INIZCTEOSA-N 1 0 279.380 2.781 20 70 CFIDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cnc(C(C)C)s1 ZINC000161469001 378849816 /nfs/dbraw/zinc/84/98/16/378849816.db2.gz SSTVIAIAPAYYGK-LLVKDONJSA-N 1 0 283.441 2.727 20 70 CFIDRO CS[C@H](C)CC(=O)N(CC[NH+](C)C)Cc1ccc(C)o1 ZINC000161500859 378850880 /nfs/dbraw/zinc/85/08/80/378850880.db2.gz DAOWLBOTXGCKCV-CYBMUJFWSA-N 1 0 298.452 2.620 20 70 CFIDRO CSc1cc(C(=O)NC[C@H](C)[N@H+](C)C2CC2)ccc1F ZINC000161312266 378839203 /nfs/dbraw/zinc/83/92/03/378839203.db2.gz RIYDWHQXCFUKGL-JTQLQIEISA-N 1 0 296.411 2.760 20 70 CFIDRO CCCC[N@H+](C)CCNC(=O)NCC1(C2CC2)CCC1 ZINC000159836634 322328612 /nfs/dbraw/zinc/32/86/12/322328612.db2.gz BGUVJPKEZGSSID-UHFFFAOYSA-N 1 0 281.444 2.598 20 70 CFIDRO CCC([NH3+])(CC)CNC(=O)/C=C/C1CCCCC1 ZINC000160441141 322337932 /nfs/dbraw/zinc/33/79/32/322337932.db2.gz XWWOIDWDEUNMHT-ZHACJKMWSA-N 1 0 252.402 2.757 20 70 CFIDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)C[C@H](C)SC ZINC000160645213 322340678 /nfs/dbraw/zinc/34/06/78/322340678.db2.gz UCGWVCLAGCYFRS-OLZOCXBDSA-N 1 0 274.474 2.755 20 70 CFIDRO CC[C@H](C)[N@H+](C)CCNCc1cccc(OC)c1OC ZINC000217382878 382786306 /nfs/dbraw/zinc/78/63/06/382786306.db2.gz AOKXNJYFELTEMT-ZDUSSCGKSA-N 1 0 280.412 2.524 20 70 CFIDRO C[C@@H]([NH2+][C@H]1CCC[C@@H](C)C1)c1nnc2ccccn21 ZINC000217641725 382787267 /nfs/dbraw/zinc/78/72/67/382787267.db2.gz YBXCQDZYHAHGGO-UPJWGTAASA-N 1 0 258.369 2.959 20 70 CFIDRO CSC[C@@](C)(O)C[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000217856178 382787938 /nfs/dbraw/zinc/78/79/38/382787938.db2.gz VEXBZUUDMIZLOO-LBPRGKRZSA-N 1 0 293.354 2.909 20 70 CFIDRO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000217822215 382788092 /nfs/dbraw/zinc/78/80/92/382788092.db2.gz BSGUNXXTIPEOHU-TUVASFSCSA-N 1 0 266.429 2.563 20 70 CFIDRO Brc1ccc(CC[NH2+]Cc2ncc[nH]2)s1 ZINC000218239186 382790004 /nfs/dbraw/zinc/79/00/04/382790004.db2.gz QKITUESGJQHILR-UHFFFAOYSA-N 1 0 286.198 2.566 20 70 CFIDRO COC[C@H]([NH2+]CC1(c2ccc(F)cc2)CC1)C1CC1 ZINC000161383035 285398384 /nfs/dbraw/zinc/39/83/84/285398384.db2.gz JZWQAASGSSOAFU-HNNXBMFYSA-N 1 0 263.356 2.872 20 70 CFIDRO COc1cccc(F)c1[C@@H](C)NC(=O)C1(C[NH3+])CCCC1 ZINC000161050511 533567833 /nfs/dbraw/zinc/56/78/33/533567833.db2.gz ULYSOUWLJPMNNS-LLVKDONJSA-N 1 0 294.370 2.531 20 70 CFIDRO c1cnn(CCC[NH2+]Cc2cccc3cc[nH]c32)c1 ZINC000218091677 130766831 /nfs/dbraw/zinc/76/68/31/130766831.db2.gz QRSAZLWSQUHFAA-UHFFFAOYSA-N 1 0 254.337 2.544 20 70 CFIDRO COC(=O)c1occc1C[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000217796059 393757809 /nfs/dbraw/zinc/75/78/09/393757809.db2.gz XIVDECVQWQOJJQ-GMXVVIOVSA-N 1 0 265.353 2.981 20 70 CFIDRO CCc1nsc(N2CCC[C@H]2C[NH+]2CCCCC2)n1 ZINC000160443716 394366372 /nfs/dbraw/zinc/36/63/72/394366372.db2.gz QTRLCDRLFZVJBK-LBPRGKRZSA-N 1 0 280.441 2.555 20 70 CFIDRO CC(C)(C)NC(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC000161101147 394367133 /nfs/dbraw/zinc/36/71/33/394367133.db2.gz ATYACOUOFSOYNX-OAHLLOKOSA-N 1 0 289.423 2.749 20 70 CFIDRO CC[C@H](Cc1ccccc1)N(C)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000161107646 394367254 /nfs/dbraw/zinc/36/72/54/394367254.db2.gz RQNYFCTXPRRQSX-JKSUJKDBSA-N 1 0 274.408 2.608 20 70 CFIDRO CCO[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)C12CCCCC2 ZINC000161179373 286271042 /nfs/dbraw/zinc/27/10/42/286271042.db2.gz YXSFAJOTXUTJJU-MGPQQGTHSA-N 1 0 296.455 2.604 20 70 CFIDRO C[C@@H](NC[C@@H](C1CCCCC1)[NH+](C)C)c1cnn(C)c1 ZINC000160403455 287030807 /nfs/dbraw/zinc/03/08/07/287030807.db2.gz RFVJDYOXCIGTAY-CJNGLKHVSA-N 1 0 278.444 2.581 20 70 CFIDRO CC(C)N1CC[C@@H]([NH2+][C@@H]2CCCc3cc(F)ccc32)C1=O ZINC000159543506 275642440 /nfs/dbraw/zinc/64/24/40/275642440.db2.gz XUNMKYKPQAKHTN-HZPDHXFCSA-N 1 0 290.382 2.802 20 70 CFIDRO Cc1c(C[NH2+][C@@H]2CCc3cc(F)ccc32)cnn1C ZINC000161216759 280227485 /nfs/dbraw/zinc/22/74/85/280227485.db2.gz ZNSCQACWPFYHFQ-OAHLLOKOSA-N 1 0 259.328 2.645 20 70 CFIDRO COc1ccc2c(c1)[C@H]([NH2+]C1CCN(C)CC1)CCCO2 ZINC000161425768 295273652 /nfs/dbraw/zinc/27/36/52/295273652.db2.gz MXAMYTHVVDNTJU-MRXNPFEDSA-N 1 0 290.407 2.593 20 70 CFIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](CC(C)C)c1ccccn1)CC2 ZINC000160323865 302681758 /nfs/dbraw/zinc/68/17/58/302681758.db2.gz YWJSOMDVLDJQSG-HOCLYGCPSA-N 1 0 299.422 2.673 20 70 CFIDRO O=C(C1CC[NH2+]CC1)N1CCCC2(CCCCC2)C1 ZINC000159858557 303560125 /nfs/dbraw/zinc/56/01/25/303560125.db2.gz UTKSVTDRVSGPPB-UHFFFAOYSA-N 1 0 264.413 2.559 20 70 CFIDRO COCCOc1cccc(C[NH2+][C@@H]2CCOC(C)(C)C2)c1 ZINC000160512690 327618111 /nfs/dbraw/zinc/61/81/11/327618111.db2.gz RCSJCTBLPNYWBX-OAHLLOKOSA-N 1 0 293.407 2.759 20 70 CFIDRO Cc1csc(N2CCC([NH2+][C@@H]3CCCSC3)CC2)n1 ZINC000159547045 322323848 /nfs/dbraw/zinc/32/38/48/322323848.db2.gz CFQJLDMLBSJXFT-CYBMUJFWSA-N 1 0 297.493 2.906 20 70 CFIDRO CC(C)[NH2+]CCC(=O)NCC1(Sc2ccccc2)CC1 ZINC000159703361 322326779 /nfs/dbraw/zinc/32/67/79/322326779.db2.gz IYBWKRSCTKNTKO-UHFFFAOYSA-N 1 0 292.448 2.816 20 70 CFIDRO CC(C)[NH2+]CCC(=O)N1CCCC2(CCCCC2)C1 ZINC000159858844 322329474 /nfs/dbraw/zinc/32/94/74/322329474.db2.gz XEWKXERUUHGXCT-UHFFFAOYSA-N 1 0 266.429 2.947 20 70 CFIDRO Cc1ccccc1[C@H](C)[NH2+]CCCNC(=O)C(C)C ZINC000159978083 322331092 /nfs/dbraw/zinc/33/10/92/322331092.db2.gz AUCRDFMBWGYETF-AWEZNQCLSA-N 1 0 262.397 2.808 20 70 CFIDRO CC(C)[N@@H+]1CC[C@@H](CNc2nnc(C(F)(F)F)s2)C1 ZINC000160167053 322333507 /nfs/dbraw/zinc/33/35/07/322333507.db2.gz FMHANQGLFOFLGJ-QMMMGPOBSA-N 1 0 294.346 2.699 20 70 CFIDRO CCSCC[C@H](C)[NH2+]C[C@@H](O)COc1cccc(C)c1 ZINC000160140117 322333675 /nfs/dbraw/zinc/33/36/75/322333675.db2.gz QRBJPPJTHHBHJW-LSDHHAIUSA-N 1 0 297.464 2.856 20 70 CFIDRO CCOC1CC(Nc2cc(C[NH+](C)C)ccc2OC)C1 ZINC000160200955 322334174 /nfs/dbraw/zinc/33/41/74/322334174.db2.gz GYMSVOZYXWHXLW-UHFFFAOYSA-N 1 0 278.396 2.736 20 70 CFIDRO C[NH+]1CCC(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000160244035 322334990 /nfs/dbraw/zinc/33/49/90/322334990.db2.gz FIUKUXANKKLNSR-RRFJBIMHSA-N 1 0 278.440 2.803 20 70 CFIDRO Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)s1 ZINC000160426311 322337907 /nfs/dbraw/zinc/33/79/07/322337907.db2.gz OFOUGBILPCAKSU-CYBMUJFWSA-N 1 0 280.437 2.907 20 70 CFIDRO C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1cnc2ccccn12 ZINC000160501293 322338977 /nfs/dbraw/zinc/33/89/77/322338977.db2.gz CZQYNDZBWHTNCY-NEPJUHHUSA-N 1 0 261.394 2.660 20 70 CFIDRO CCCn1c(C)nnc1C[N@H+](CC)C[C@H](C)CC ZINC000160595775 322339992 /nfs/dbraw/zinc/33/99/92/322339992.db2.gz CMVFMQUCYIGLHR-GFCCVEGCSA-N 1 0 252.406 2.865 20 70 CFIDRO CCCn1c(C)nnc1C[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000160704116 322341973 /nfs/dbraw/zinc/34/19/73/322341973.db2.gz CFXKUJUCMXCQOJ-KBPBESRZSA-N 1 0 262.401 2.619 20 70 CFIDRO CC[N@@H+]1CCCC[C@H]1C(=O)NCCCSCC(C)C ZINC000160771351 322342840 /nfs/dbraw/zinc/34/28/40/322342840.db2.gz UFXYQHOYPONWQK-AWEZNQCLSA-N 1 0 286.485 2.756 20 70 CFIDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N(C)C(C)C ZINC000160940967 322345385 /nfs/dbraw/zinc/34/53/85/322345385.db2.gz ZMKOFRFUIAPQCX-AWEZNQCLSA-N 1 0 269.433 2.547 20 70 CFIDRO CCC[C@@H](C(=O)NCC(C)(C)C[NH+](C)C)C(C)C ZINC000161140321 322348165 /nfs/dbraw/zinc/34/81/65/322348165.db2.gz AGVTVTAKNVTDDV-CYBMUJFWSA-N 1 0 256.434 2.763 20 70 CFIDRO CCN1CCCC[C@@H]1C[NH2+][C@H](COC)Cc1ccccc1 ZINC000161186875 322348761 /nfs/dbraw/zinc/34/87/61/322348761.db2.gz VLGWZKHYFNWWTL-ZWKOTPCHSA-N 1 0 290.451 2.708 20 70 CFIDRO C[NH+](C)Cc1ccc(C(=O)NC[C@@H]2CC=CCC2)cc1 ZINC000161307870 322349777 /nfs/dbraw/zinc/34/97/77/322349777.db2.gz NIBZOQTXBJNTFV-CQSZACIVSA-N 1 0 272.392 2.834 20 70 CFIDRO CCC[N@@H+]1CCCN(C(=O)NCC(CC)CC)CC1 ZINC000160595441 519849345 /nfs/dbraw/zinc/84/93/45/519849345.db2.gz DKKGGQGOFQEOES-UHFFFAOYSA-N 1 0 269.433 2.550 20 70 CFIDRO CCC[N@@H+]1CCCN(C(=O)c2ccc(SC)cc2)CC1 ZINC000160387748 519851137 /nfs/dbraw/zinc/85/11/37/519851137.db2.gz BLDBANDWWLKFEH-UHFFFAOYSA-N 1 0 292.448 2.966 20 70 CFIDRO CCCNC(=O)c1cccc(C[NH2+][C@H](C)C(C)C)c1 ZINC000160579854 519903519 /nfs/dbraw/zinc/90/35/19/519903519.db2.gz LGASOTXBRKLOMO-CYBMUJFWSA-N 1 0 262.397 2.961 20 70 CFIDRO CC1(C(=O)NCC[NH2+]C2CCCCCC2)CCC1 ZINC000159671288 520222424 /nfs/dbraw/zinc/22/24/24/520222424.db2.gz BOAJIFGDYKGMMM-UHFFFAOYSA-N 1 0 252.402 2.605 20 70 CFIDRO CCCOc1cccc(C[N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)c1 ZINC000159635224 520454259 /nfs/dbraw/zinc/45/42/59/520454259.db2.gz BUGQXURKROJGLZ-DZGCQCFKSA-N 1 0 290.407 2.561 20 70 CFIDRO CC1(C)C[C@H]1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000160032019 520561818 /nfs/dbraw/zinc/56/18/18/520561818.db2.gz UQYXHHLQWHLNEQ-HNNXBMFYSA-N 1 0 278.440 2.946 20 70 CFIDRO CCC[C@@H](C)[C@H](CC)[NH2+]CCCN1CCCC1=O ZINC000159538477 520671723 /nfs/dbraw/zinc/67/17/23/520671723.db2.gz HKAMJTMEWDINKD-KGLIPLIRSA-N 1 0 254.418 2.803 20 70 CFIDRO CC[NH+](CC)C[C@H](C)Nc1nnc(C(F)(F)F)s1 ZINC000160165396 520737127 /nfs/dbraw/zinc/73/71/27/520737127.db2.gz UDRUGSOEKUSINK-ZETCQYMHSA-N 1 0 282.335 2.699 20 70 CFIDRO CCCCSCCC(=O)NCC[NH+]1CCCCCC1 ZINC000159652246 520951174 /nfs/dbraw/zinc/95/11/74/520951174.db2.gz BIKKTOMZHFUFOT-UHFFFAOYSA-N 1 0 286.485 2.902 20 70 CFIDRO CCOc1ccc(CNCC[N@H+](C)[C@@H](C)CC)cc1OC ZINC000217385206 521001932 /nfs/dbraw/zinc/00/19/32/521001932.db2.gz BUECILNWKWZRKQ-AWEZNQCLSA-N 1 0 294.439 2.914 20 70 CFIDRO CCC(CC)CNC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000160582231 521527066 /nfs/dbraw/zinc/52/70/66/521527066.db2.gz MBRMAXPXPAETKQ-UHFFFAOYSA-N 1 0 281.444 2.692 20 70 CFIDRO CO[C@]1(C)C[C@H]([N@H+](C)Cc2cnc3ccccn23)C1(C)C ZINC000160899303 521762860 /nfs/dbraw/zinc/76/28/60/521762860.db2.gz GRVSLKZOXLOPRS-WMLDXEAASA-N 1 0 287.407 2.970 20 70 CFIDRO CC[C@@H](C)[N@H+](C)CCNCc1cc(OC)ccc1OC ZINC000217382972 522059156 /nfs/dbraw/zinc/05/91/56/522059156.db2.gz GHBBJNHXSKGGBY-CYBMUJFWSA-N 1 0 280.412 2.524 20 70 CFIDRO CC[C@H](COC)[NH2+]CCCCc1nc(C)cs1 ZINC000160706891 522258612 /nfs/dbraw/zinc/25/86/12/522258612.db2.gz DNNMNHKPUUHTGF-GFCCVEGCSA-N 1 0 256.415 2.789 20 70 CFIDRO C[N@H+](CC1CCN(C(=O)C(C)(C)C)CC1)C1CCC1 ZINC000159827140 522656971 /nfs/dbraw/zinc/65/69/71/522656971.db2.gz CIRXCNXVHZHMNK-UHFFFAOYSA-N 1 0 266.429 2.755 20 70 CFIDRO CC[C@H](O)CC[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000217872273 522800421 /nfs/dbraw/zinc/80/04/21/522800421.db2.gz GZMGUDVATZLZBL-NSHDSACASA-N 1 0 277.286 2.836 20 70 CFIDRO CC[C@@H](NC[C@H](C1CCCCC1)[NH+](C)C)c1cnn(C)c1 ZINC000160391789 522861121 /nfs/dbraw/zinc/86/11/21/522861121.db2.gz OVWMEUDKTIKCOK-IAGOWNOFSA-N 1 0 292.471 2.971 20 70 CFIDRO CC[C@@H]([NH2+][C@H](CCO)CSC)c1cccc(OC)c1 ZINC000160199094 522942457 /nfs/dbraw/zinc/94/24/57/522942457.db2.gz VEDPWLQPZNKPEM-UKRRQHHQSA-N 1 0 283.437 2.850 20 70 CFIDRO COCCC[N@H+](C)CCCc1cccc(OC)c1 ZINC000159687485 523217984 /nfs/dbraw/zinc/21/79/84/523217984.db2.gz FIGXJUWEUOPGBD-UHFFFAOYSA-N 1 0 251.370 2.596 20 70 CFIDRO CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N(C)CC(F)(F)F ZINC000161429618 523221853 /nfs/dbraw/zinc/22/18/53/523221853.db2.gz ICZIXJSNDGJPFQ-GHMZBOCLSA-N 1 0 280.334 2.566 20 70 CFIDRO CN(Cc1ccc(OC(F)(F)F)cc1)[C@@H](C[NH3+])C1CC1 ZINC000159709045 523270205 /nfs/dbraw/zinc/27/02/05/523270205.db2.gz HQNWWMLJQNYZEY-ZDUSSCGKSA-N 1 0 288.313 2.754 20 70 CFIDRO C[C@@H](CC1CCCC1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160232939 524433178 /nfs/dbraw/zinc/43/31/78/524433178.db2.gz WPKBAKGRBWFQHP-AEGPPILISA-N 1 0 264.413 2.556 20 70 CFIDRO C[C@H]1C[C@@H](Nc2nc(C(C)(C)C)ns2)C[N@@H+]1C1CC1 ZINC000159912752 524815941 /nfs/dbraw/zinc/81/59/41/524815941.db2.gz VCNRIBBZJXHWJA-VHSXEESVSA-N 1 0 280.441 2.873 20 70 CFIDRO C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000159445779 524888381 /nfs/dbraw/zinc/88/83/81/524888381.db2.gz HPGXZKHFFMBUMQ-WFASDCNBSA-N 1 0 294.826 2.872 20 70 CFIDRO C[C@@H]1C[C@@H]1C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000161504446 525303485 /nfs/dbraw/zinc/30/34/85/525303485.db2.gz IPAICMWXOXIXPT-LMPOIIKSSA-N 1 0 278.440 2.802 20 70 CFIDRO C[C@H]([NH2+]C[C@@H](C1CCCCC1)N(C)C)[C@@H]1CCOC1 ZINC000160396519 525375438 /nfs/dbraw/zinc/37/54/38/525375438.db2.gz PZENLXXABSUEQI-IMJJTQAJSA-N 1 0 268.445 2.512 20 70 CFIDRO CSCCCCC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000159875046 525402603 /nfs/dbraw/zinc/40/26/03/525402603.db2.gz KGDFZOYKRNKEBC-KGLIPLIRSA-N 1 0 286.485 2.756 20 70 CFIDRO C[C@@H]1C[C@H](Nc2nc(C(C)(C)C)ns2)C[N@@H+]1C1CC1 ZINC000159912341 525450222 /nfs/dbraw/zinc/45/02/22/525450222.db2.gz VCNRIBBZJXHWJA-ZJUUUORDSA-N 1 0 280.441 2.873 20 70 CFIDRO C[C@@H]([NH2+]C[C@@H](C1CCCCC1)N(C)C)[C@H]1CCOC1 ZINC000160396909 525472072 /nfs/dbraw/zinc/47/20/72/525472072.db2.gz PZENLXXABSUEQI-KBMXLJTQSA-N 1 0 268.445 2.512 20 70 CFIDRO C[C@@H]1C[C@H]1C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000161504319 525477120 /nfs/dbraw/zinc/47/71/20/525477120.db2.gz IPAICMWXOXIXPT-PRLABOORSA-N 1 0 278.440 2.802 20 70 CFIDRO C[C@@H]([NH2+]C[C@H](C)N1CCc2ccccc21)C1CCOCC1 ZINC000159940139 525491044 /nfs/dbraw/zinc/49/10/44/525491044.db2.gz QZYWARSMORDAOR-LSDHHAIUSA-N 1 0 288.435 2.842 20 70 CFIDRO CSC[C@H](CCO)[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000160172010 525700138 /nfs/dbraw/zinc/70/01/38/525700138.db2.gz RXIOINMBNDAGNL-HOTGVXAUSA-N 1 0 279.449 2.711 20 70 CFIDRO Cc1ccc(C(=O)CC[N@@H+](C[C@@H](C)O)C(C)C)cc1 ZINC000159548247 526041884 /nfs/dbraw/zinc/04/18/84/526041884.db2.gz HQPJXLZJSPBLFD-CQSZACIVSA-N 1 0 263.381 2.659 20 70 CFIDRO C[C@@H](c1ccc(OC(F)F)cc1)N1CCC[C@@H]([NH3+])C1 ZINC000217507378 526060615 /nfs/dbraw/zinc/06/06/15/526060615.db2.gz LRMOUXVXWFMUOK-CMPLNLGQSA-N 1 0 270.323 2.772 20 70 CFIDRO O=C(CCC1CCCCC1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160753529 526407254 /nfs/dbraw/zinc/40/72/54/526407254.db2.gz JCMDMSLZSWLBRN-GASCZTMLSA-N 1 0 264.413 2.700 20 70 CFIDRO c1cc(CN2CCC([NH2+][C@H]3CCCSC3)CC2)ccn1 ZINC000159541533 526422360 /nfs/dbraw/zinc/42/23/60/526422360.db2.gz WAQXGEGXTDZXQU-INIZCTEOSA-N 1 0 291.464 2.531 20 70 CFIDRO O=C(Nc1ccc(CC(F)(F)F)cc1)C1CC[NH2+]CC1 ZINC000160299797 527165992 /nfs/dbraw/zinc/16/59/92/527165992.db2.gz URHRAEJSOXCQSX-UHFFFAOYSA-N 1 0 286.297 2.730 20 70 CFIDRO O=C(Cc1cccc2ccccc21)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160137394 527273766 /nfs/dbraw/zinc/27/37/66/527273766.db2.gz RQXXKPLWAAVMRY-CALCHBBNSA-N 1 0 294.398 2.735 20 70 CFIDRO CC(C)[C@H]1CCCC[C@H]1[NH2+]Cc1cc(=O)n2ccccc2n1 ZINC000160356612 527764736 /nfs/dbraw/zinc/76/47/36/527764736.db2.gz IMRPBCLVHXSQDE-HZPDHXFCSA-N 1 0 299.418 2.999 20 70 CFIDRO CCC[C@H](CC1CCCC1)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000160584312 528112998 /nfs/dbraw/zinc/11/29/98/528112998.db2.gz NWQSOVONLPQHMJ-HUUCEWRRSA-N 1 0 266.429 2.803 20 70 CFIDRO CC(C)C[C@@H]1CCCN(C(=O)C2(C[NH3+])CCCC2)C1 ZINC000161472515 528372836 /nfs/dbraw/zinc/37/28/36/528372836.db2.gz RIKMEKDNALUSJV-AWEZNQCLSA-N 1 0 266.429 2.790 20 70 CFIDRO CCCNC(=O)c1cccc(C[NH2+][C@H](COC)C(C)C)c1 ZINC000160624923 528465103 /nfs/dbraw/zinc/46/51/03/528465103.db2.gz USGPXWSEZGFFAW-MRXNPFEDSA-N 1 0 292.423 2.587 20 70 CFIDRO CCOCCC[N@H+](C)Cc1ccc(OC)c(C)c1 ZINC000160504687 528657346 /nfs/dbraw/zinc/65/73/46/528657346.db2.gz XYQRCFJSOBBIRB-UHFFFAOYSA-N 1 0 251.370 2.862 20 70 CFIDRO CCCC[C@H](CC)CNC(=O)N1CCC[N@H+](CC)CC1 ZINC000159507366 528909850 /nfs/dbraw/zinc/90/98/50/528909850.db2.gz IWAOJGCUDSMZEM-HNNXBMFYSA-N 1 0 283.460 2.940 20 70 CFIDRO CC[C@@H](C)[N@H+](C)CCN[C@@H](C)c1ccc2c(c1)OCO2 ZINC000160144939 529344282 /nfs/dbraw/zinc/34/42/82/529344282.db2.gz XVEBPNNPAYLMJB-OLZOCXBDSA-N 1 0 278.396 2.796 20 70 CFIDRO CCC(CC)n1nccc1C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000161443258 282306410 /nfs/dbraw/zinc/30/64/10/282306410.db2.gz RGESVAOCFMDVEU-CYBMUJFWSA-N 1 0 294.443 2.704 20 70 CFIDRO C[N@@H+]1CCC[C@H]1CNC(=O)CC/C=C/c1ccccc1 ZINC000160127100 530063171 /nfs/dbraw/zinc/06/31/71/530063171.db2.gz USRFJUAUBPBLPX-YKXBDCQTSA-N 1 0 272.392 2.690 20 70 CFIDRO OCC1([NH2+]Cc2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000159549676 232244260 /nfs/dbraw/zinc/24/42/60/232244260.db2.gz UYEGZDXYDRMNEX-UHFFFAOYSA-N 1 0 261.296 2.700 20 70 CFIDRO CC(C)N(C(=O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21)C(C)C ZINC000159656840 348014376 /nfs/dbraw/zinc/01/43/76/348014376.db2.gz GXGJXDAJTSHFPZ-GJZGRUSLSA-N 1 0 266.429 2.896 20 70 CFIDRO CN(Cc1ncc(-c2ccc(F)cc2)o1)[C@@H](C[NH3+])C1CC1 ZINC000160068544 348015820 /nfs/dbraw/zinc/01/58/20/348015820.db2.gz WYPGJQVAUFIHBR-AWEZNQCLSA-N 1 0 289.354 2.650 20 70 CFIDRO O=C(NCCCC1CC1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160401880 348018262 /nfs/dbraw/zinc/01/82/62/348018262.db2.gz NCDYJIXYMHIPLN-INIZCTEOSA-N 1 0 293.455 2.837 20 70 CFIDRO CC(C)CCN(C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)C1CC1 ZINC000160634396 348018665 /nfs/dbraw/zinc/01/86/65/348018665.db2.gz TZRJQBNERIKQAW-OAHLLOKOSA-N 1 0 293.455 2.691 20 70 CFIDRO C[C@@H](CC(=O)NCCCC(C)(C)C)[C@H]1CCC[NH2+]C1 ZINC000160538378 348019068 /nfs/dbraw/zinc/01/90/68/348019068.db2.gz JBKAQMIXBQYJAQ-KBPBESRZSA-N 1 0 268.445 2.955 20 70 CFIDRO C[C@H](C1CC1)[N@H+](C)Cc1nnc(-c2ccccc2)n1C ZINC000160854087 348021588 /nfs/dbraw/zinc/02/15/88/348021588.db2.gz JGVWWDYDIRUWRJ-GFCCVEGCSA-N 1 0 270.380 2.712 20 70 CFIDRO CC[C@H]([NH2+]CCSCC(=O)OC)c1ccc(F)cc1 ZINC000160892898 348022241 /nfs/dbraw/zinc/02/22/41/348022241.db2.gz ZUONFNNKTIOWSI-ZDUSSCGKSA-N 1 0 285.384 2.773 20 70 CFIDRO CC[C@@H]([NH2+]CCSCC(=O)OC)c1ccc(F)cc1 ZINC000160893030 348022474 /nfs/dbraw/zinc/02/24/74/348022474.db2.gz ZUONFNNKTIOWSI-CYBMUJFWSA-N 1 0 285.384 2.773 20 70 CFIDRO Cn1nccc1C[NH2+]CC1C2CC3CC(C2)CC1C3 ZINC000216898437 539626771 /nfs/dbraw/zinc/62/67/71/539626771.db2.gz KWMFCWPJDIXATC-UHFFFAOYSA-N 1 0 259.397 2.582 20 70 CFIDRO C[C@H](C[NH2+][C@@H]1CCCc2cccnc21)N(C)C1CC1 ZINC000217596194 539658546 /nfs/dbraw/zinc/65/85/46/539658546.db2.gz RZYUUSKRARDKOV-IUODEOHRSA-N 1 0 259.397 2.531 20 70 CFIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)CCSc2ccc(F)cc2)C1 ZINC000161373331 539831293 /nfs/dbraw/zinc/83/12/93/539831293.db2.gz LRPLQMSBCAHJRN-OLZOCXBDSA-N 1 0 296.411 2.694 20 70 CFIDRO Cc1ccc([C@@H](C)[NH2+]CCCN2CCCC2=O)cc1 ZINC000159575539 188431696 /nfs/dbraw/zinc/43/16/96/188431696.db2.gz UBHJYEJICLXYNS-CQSZACIVSA-N 1 0 260.381 2.658 20 70 CFIDRO O=C(N[C@@H]1CCC[C@H]1c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000159712415 188438145 /nfs/dbraw/zinc/43/81/45/188438145.db2.gz NUCKGCZHXGUACW-XHSDSOJGSA-N 1 0 272.392 2.581 20 70 CFIDRO C[C@@H]([NH2+]CCCc1cccc(F)c1)c1cnn(C)c1 ZINC000159773581 188441319 /nfs/dbraw/zinc/44/13/19/188441319.db2.gz QUVULBDBJNYZRB-GFCCVEGCSA-N 1 0 261.344 2.843 20 70 CFIDRO CCC([NH3+])(CC)CNC(=O)[C@H](C)CC1CCCC1 ZINC000160462644 188474937 /nfs/dbraw/zinc/47/49/37/188474937.db2.gz ONUMBDCUOFWJIM-GFCCVEGCSA-N 1 0 254.418 2.837 20 70 CFIDRO CCO[C@H]1C[C@H](N(C)C(=O)CCCCCC[NH3+])C1(C)C ZINC000160498450 188476569 /nfs/dbraw/zinc/47/65/69/188476569.db2.gz IKUSHIKWOXUYHW-KBPBESRZSA-N 1 0 284.444 2.558 20 70 CFIDRO COc1cc(NC(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)ccc1F ZINC000160333289 188466482 /nfs/dbraw/zinc/46/64/82/188466482.db2.gz DVEOVNWBKMQILH-NEPJUHHUSA-N 1 0 294.370 2.799 20 70 CFIDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2ccc(F)c(Cl)c2)C1 ZINC000160366145 188468201 /nfs/dbraw/zinc/46/82/01/188468201.db2.gz SNHDMSOYECPJNN-JTQLQIEISA-N 1 0 284.762 2.503 20 70 CFIDRO CCC([NH3+])(CC)CNC(=O)c1ccc2c(c1)CCCC2 ZINC000160416537 188471520 /nfs/dbraw/zinc/47/15/20/188471520.db2.gz RVORASAKNDLEAP-UHFFFAOYSA-N 1 0 274.408 2.813 20 70 CFIDRO COCCOc1ccccc1C[NH2+][C@H]1CCOC(C)(C)C1 ZINC000160611938 188483091 /nfs/dbraw/zinc/48/30/91/188483091.db2.gz HMCKHLTXYROCQI-HNNXBMFYSA-N 1 0 293.407 2.759 20 70 CFIDRO C[C@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)C(C)(C)C ZINC000160951816 188500185 /nfs/dbraw/zinc/50/01/85/188500185.db2.gz GYPNFELFDWCALJ-LBPRGKRZSA-N 1 0 283.437 2.755 20 70 CFIDRO CCC(CC)(C[NH3+])C(=O)N(C)CCc1ccc(F)cc1 ZINC000161187924 188513833 /nfs/dbraw/zinc/51/38/33/188513833.db2.gz DPFLJTXIIOBXRC-UHFFFAOYSA-N 1 0 280.387 2.592 20 70 CFIDRO CC[C@@H](NC(=O)C1CC[NH2+]CC1)c1ccc(F)cc1F ZINC000161207970 188514837 /nfs/dbraw/zinc/51/48/37/188514837.db2.gz YKEFPHHZMPRSEQ-CQSZACIVSA-N 1 0 282.334 2.532 20 70 CFIDRO C[C@@H](C[NH2+][C@@H](C)[C@@H]1CCOC1)COCc1ccccc1 ZINC000161297016 188520785 /nfs/dbraw/zinc/52/07/85/188520785.db2.gz ZRWNNBXTZCHYAY-YQQAZPJKSA-N 1 0 277.408 2.854 20 70 CFIDRO CCC(CC)(C[NH3+])C(=O)N1CCS[C@H]2CCCC[C@@H]21 ZINC000161247474 188517735 /nfs/dbraw/zinc/51/77/35/188517735.db2.gz UZVHXIYIULGJKU-STQMWFEESA-N 1 0 284.469 2.638 20 70 CFIDRO CC(C)(CNC(=O)CC1([NH3+])CCC1)Cc1ccccc1 ZINC000159489580 540650032 /nfs/dbraw/zinc/65/00/32/540650032.db2.gz RURCWMGNANTVBR-UHFFFAOYSA-N 1 0 274.408 2.643 20 70 CFIDRO O=C(NC[C@@H]1C[C@H]1c1ccccc1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000159787487 540663037 /nfs/dbraw/zinc/66/30/37/540663037.db2.gz VZOZETNSQZIWOH-ATIWLJMLSA-N 1 0 298.430 2.827 20 70 CFIDRO CCCn1nccc1C[NH2+]C[C@@H](c1ccccc1)N(C)C ZINC000159972838 540666067 /nfs/dbraw/zinc/66/60/67/540666067.db2.gz ZGJGHFNJLYWCGI-KRWDZBQOSA-N 1 0 286.423 2.686 20 70 CFIDRO CCCn1nccc1C[NH2+]C[C@@H]1Cc2ccccc21 ZINC000160088572 540668646 /nfs/dbraw/zinc/66/86/46/540668646.db2.gz IDKCXRKFICGTCH-AWEZNQCLSA-N 1 0 255.365 2.723 20 70 CFIDRO CC1(CNC(=O)[C@H]([NH3+])c2cccc(Cl)c2)CCC1 ZINC000160831001 540681467 /nfs/dbraw/zinc/68/14/67/540681467.db2.gz CWVFPTJZAQVTAI-GFCCVEGCSA-N 1 0 266.772 2.646 20 70 CFIDRO CCC(C)(CC)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000159495034 540996227 /nfs/dbraw/zinc/99/62/27/540996227.db2.gz XQJIEEXZKPVZFY-ZIAGYGMSSA-N 1 0 266.429 2.755 20 70 CFIDRO CCC[N@H+](CC)CCNC(=O)Nc1ccnc(C)c1Cl ZINC000159645406 541005081 /nfs/dbraw/zinc/00/50/81/541005081.db2.gz GIEJNHJVCNLJMQ-UHFFFAOYSA-N 1 0 298.818 2.897 20 70 CFIDRO CCn1nccc1C[NH2+][C@H](C)Cc1ccccc1F ZINC000160108507 541021613 /nfs/dbraw/zinc/02/16/13/541021613.db2.gz YHNHLMHOHYACQC-GFCCVEGCSA-N 1 0 261.344 2.763 20 70 CFIDRO CCC[N@H+](CC)CCNC(=O)c1ccc(Cl)nc1C ZINC000159912921 378737154 /nfs/dbraw/zinc/73/71/54/378737154.db2.gz QBAJMXDAKVCDAY-UHFFFAOYSA-N 1 0 283.803 2.505 20 70 CFIDRO CC[C@@H]([NH2+]C[C@@H](C)N1CCc2ccccc21)c1cnn(C)c1 ZINC000159903231 378737354 /nfs/dbraw/zinc/73/73/54/378737354.db2.gz RDDKSSAIUYDYJA-RHSMWYFYSA-N 1 0 298.434 2.912 20 70 CFIDRO Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000159895250 378737436 /nfs/dbraw/zinc/73/74/36/378737436.db2.gz MFKKMGZFJIPIGE-XHSDSOJGSA-N 1 0 286.419 2.842 20 70 CFIDRO CC[C@H](C)C[C@H](C)NC(=O)N1CCC[N@H+](CC)CC1 ZINC000159920337 378739181 /nfs/dbraw/zinc/73/91/81/378739181.db2.gz YATOMHLFGCRKBE-KBPBESRZSA-N 1 0 269.433 2.548 20 70 CFIDRO [NH3+]CCC(=O)Nc1ccc(Cl)cc1OCC(F)(F)F ZINC000159976210 378740332 /nfs/dbraw/zinc/74/03/32/378740332.db2.gz SIZRWWZKGKBPNC-UHFFFAOYSA-N 1 0 296.676 2.568 20 70 CFIDRO CCOc1ccc(Cl)cc1CC[NH2+][C@H](C)COC ZINC000160007206 378742572 /nfs/dbraw/zinc/74/25/72/378742572.db2.gz AAQCFFGZZZCKIC-LLVKDONJSA-N 1 0 271.788 2.906 20 70 CFIDRO CC(C)([NH3+])CNC(=O)c1ccc(Oc2ccccc2)o1 ZINC000160029093 378743795 /nfs/dbraw/zinc/74/37/95/378743795.db2.gz AIGZACQQGURHNS-UHFFFAOYSA-N 1 0 274.320 2.539 20 70 CFIDRO CC(C)CSCCC[NH2+][C@@H](C(N)=O)c1ccc(F)cc1 ZINC000160012700 378743920 /nfs/dbraw/zinc/74/39/20/378743920.db2.gz OECSPLWSKIOVQQ-CQSZACIVSA-N 1 0 298.427 2.721 20 70 CFIDRO C[N@H+](CCc1cccc(OC(F)(F)F)c1)[C@@H]1CCOC1 ZINC000160068161 378746804 /nfs/dbraw/zinc/74/68/04/378746804.db2.gz OFMFOKIBAWQRQS-GFCCVEGCSA-N 1 0 289.297 2.848 20 70 CFIDRO COC[C@H]([NH2+][C@H]1CCCN(C2CCCCC2)C1)C1CC1 ZINC000160121727 378750345 /nfs/dbraw/zinc/75/03/45/378750345.db2.gz NVWHWSQMLMYODF-RDJZCZTQSA-N 1 0 280.456 2.798 20 70 CFIDRO Cc1nn(C)cc1C[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000160144124 378751886 /nfs/dbraw/zinc/75/18/86/378751886.db2.gz OLYNUMCWBBLJFC-OAHLLOKOSA-N 1 0 259.328 2.645 20 70 CFIDRO C[N@@H+](Cc1cc(-c2cccs2)on1)C[C@H]1CCC[C@@H]1O ZINC000159491468 378712157 /nfs/dbraw/zinc/71/21/57/378712157.db2.gz UBDZRRFEAIZPEN-YPMHNXCESA-N 1 0 292.404 2.996 20 70 CFIDRO Cc1cc(N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)ncn1 ZINC000160213289 378755524 /nfs/dbraw/zinc/75/55/24/378755524.db2.gz SOHWQGSYFWODSL-BBRMVZONSA-N 1 0 282.391 2.717 20 70 CFIDRO Cc1oc2ccccc2c1C[N@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000159597210 378719159 /nfs/dbraw/zinc/71/91/59/378719159.db2.gz PVZLWOLTHJSFTR-AAEUAGOBSA-N 1 0 286.375 2.827 20 70 CFIDRO CC(C)c1ccc(CCCNC(=O)[C@H]2CCC[NH2+]C2)cc1 ZINC000159608272 378719969 /nfs/dbraw/zinc/71/99/69/378719969.db2.gz LSTCHSURKJXLER-KRWDZBQOSA-N 1 0 288.435 2.858 20 70 CFIDRO Cc1c(C[NH2+]CCc2cccc(Cl)c2)cnn1C ZINC000159605412 378720146 /nfs/dbraw/zinc/72/01/46/378720146.db2.gz YBSVHBDSTXKPIZ-UHFFFAOYSA-N 1 0 263.772 2.714 20 70 CFIDRO CC(C)c1ccc(CCCNC(=O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000159608121 378720357 /nfs/dbraw/zinc/72/03/57/378720357.db2.gz LSTCHSURKJXLER-QGZVFWFLSA-N 1 0 288.435 2.858 20 70 CFIDRO C[C@H](CC(=O)N(C)c1ccccc1)[NH2+][C@@H]1CCCSC1 ZINC000159636057 378721308 /nfs/dbraw/zinc/72/13/08/378721308.db2.gz FSIJLUPVAQKCRQ-ZIAGYGMSSA-N 1 0 292.448 2.913 20 70 CFIDRO CC(C)(C)CC[N@@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000159623768 378721981 /nfs/dbraw/zinc/72/19/81/378721981.db2.gz BCHVZGDXRWCEGP-KBPBESRZSA-N 1 0 281.396 2.840 20 70 CFIDRO CC[C@H]1CCCC[C@@H]1NC(=O)N1CCC[N@H+](CC)CC1 ZINC000159683884 378724336 /nfs/dbraw/zinc/72/43/36/378724336.db2.gz AZYBOBZZGIEEOF-GJZGRUSLSA-N 1 0 281.444 2.692 20 70 CFIDRO C[C@@H]([NH2+]Cc1cc2ccccc2o1)C(=O)NC(C)(C)C ZINC000159699569 378724597 /nfs/dbraw/zinc/72/45/97/378724597.db2.gz NMISMORPIYEPGU-LLVKDONJSA-N 1 0 274.364 2.826 20 70 CFIDRO Cc1ccccc1[C@H](CC(C)C)NC(=O)CCC[NH3+] ZINC000159695606 378724738 /nfs/dbraw/zinc/72/47/38/378724738.db2.gz QITBJMRDIHXLPF-HNNXBMFYSA-N 1 0 262.397 2.937 20 70 CFIDRO CC(C)[C@@H](CCc1ccc(Cl)cc1)[NH2+]CCO ZINC000159710315 378725765 /nfs/dbraw/zinc/72/57/65/378725765.db2.gz DKQRWEXAHCHRNR-CQSZACIVSA-N 1 0 255.789 2.879 20 70 CFIDRO O=C(N[C@@H]1CCC[C@@H]1c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000159712551 378726712 /nfs/dbraw/zinc/72/67/12/378726712.db2.gz NUCKGCZHXGUACW-OAGGEKHMSA-N 1 0 272.392 2.581 20 70 CFIDRO CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccccc2C)C1 ZINC000159819872 378731923 /nfs/dbraw/zinc/73/19/23/378731923.db2.gz QWZKGNDDNZEPHV-KGLIPLIRSA-N 1 0 260.381 2.657 20 70 CFIDRO Cc1ccc([C@@H]2CSCC[N@@H+]2CCn2ccnc2)cc1 ZINC000159832129 378733792 /nfs/dbraw/zinc/73/37/92/378733792.db2.gz AGJBAPVJCXJNGM-INIZCTEOSA-N 1 0 287.432 2.982 20 70 CFIDRO CC(C)(C)OC(=O)c1ccc(C[N@@H+]2CCC[C@H]2CO)cc1 ZINC000159852124 378734170 /nfs/dbraw/zinc/73/41/70/378734170.db2.gz WHKKDUPBOXWMLL-HNNXBMFYSA-N 1 0 291.391 2.599 20 70 CFIDRO C[C@@]1(CNc2cnccn2)CCC[N@@H+]1Cc1ccccc1 ZINC000160798161 378799749 /nfs/dbraw/zinc/79/97/49/378799749.db2.gz OWSYWBOXCOBICJ-KRWDZBQOSA-N 1 0 282.391 2.943 20 70 CFIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(Cl)s1)CC2 ZINC000160370614 378767326 /nfs/dbraw/zinc/76/73/26/378767326.db2.gz OVDMBGOAHFAPIK-SCZZXKLOSA-N 1 0 296.827 2.967 20 70 CFIDRO COC[C@H](C)[NH2+]CCc1csc(-c2ccccc2)n1 ZINC000160388509 378768319 /nfs/dbraw/zinc/76/83/19/378768319.db2.gz ZXORDHLLQRKKJQ-LBPRGKRZSA-N 1 0 276.405 2.977 20 70 CFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(C)c(C)c1)CC2 ZINC000160414218 378770745 /nfs/dbraw/zinc/77/07/45/378770745.db2.gz XURVSWYOEZYOHA-XJKSGUPXSA-N 1 0 284.407 2.869 20 70 CFIDRO CCCN(CC[NH+](CC)CC)C(=O)Nc1ccccn1 ZINC000160534168 378778813 /nfs/dbraw/zinc/77/88/13/378778813.db2.gz DCHWVQSGGWEXJA-UHFFFAOYSA-N 1 0 278.400 2.667 20 70 CFIDRO O=C(CC1CC[NH2+]CC1)Nc1ccccc1OCC1CC1 ZINC000160526675 378779571 /nfs/dbraw/zinc/77/95/71/378779571.db2.gz BNFDDMOATXVTAO-UHFFFAOYSA-N 1 0 288.391 2.804 20 70 CFIDRO CC[C@H](COC)[NH2+]Cc1ccc(N2CCCCCC2)nc1 ZINC000160553160 378781375 /nfs/dbraw/zinc/78/13/75/378781375.db2.gz WQFUTHYAKOWEBG-MRXNPFEDSA-N 1 0 291.439 2.977 20 70 CFIDRO CC[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2CC2(C)C)c1 ZINC000160595993 378784947 /nfs/dbraw/zinc/78/49/47/378784947.db2.gz IQPWZKZTBHYFAS-HNNXBMFYSA-N 1 0 274.408 2.801 20 70 CFIDRO C[C@H]([NH2+][C@@H](CCCO)c1ccccc1)[C@@H]1CCOC1 ZINC000160720037 378793384 /nfs/dbraw/zinc/79/33/84/378793384.db2.gz CGMAOMZOTHXAQM-IMJJTQAJSA-N 1 0 263.381 2.515 20 70 CFIDRO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](CC)c1c(C)noc1C ZINC000160255229 378759626 /nfs/dbraw/zinc/75/96/26/378759626.db2.gz YOQRQRDELSJPGS-UONOGXRCSA-N 1 0 293.411 2.733 20 70 CFIDRO Cc1noc(C)c1[C@H](C)CC(=O)N(CC[NH+](C)C)C(C)C ZINC000161182978 378829257 /nfs/dbraw/zinc/82/92/57/378829257.db2.gz GRYKUPKWOBMYOD-GFCCVEGCSA-N 1 0 295.427 2.584 20 70 CFIDRO C[C@@H]([NH2+]C[C@@H]1CSCCS1)c1cscn1 ZINC000161220845 378831134 /nfs/dbraw/zinc/83/11/34/378831134.db2.gz IIOOCJBRGFNQLQ-RKDXNWHRSA-N 1 0 260.453 2.642 20 70 CFIDRO CCC(CC)(C[NH3+])C(=O)NC1CC(c2ccccc2)C1 ZINC000161212781 378831233 /nfs/dbraw/zinc/83/12/33/378831233.db2.gz PUXYXNJHWZSBCC-UHFFFAOYSA-N 1 0 274.408 2.814 20 70 CFIDRO CSc1cc(C(=O)N2CCC[C@H]([NH+](C)C)C2)ccc1F ZINC000161235651 378832125 /nfs/dbraw/zinc/83/21/25/378832125.db2.gz NRHZDQPHINLISJ-LBPRGKRZSA-N 1 0 296.411 2.714 20 70 CFIDRO CCCC[C@@H](CC)CC(=O)N1CCC[C@@H]1C[NH2+]C ZINC000161238573 378832898 /nfs/dbraw/zinc/83/28/98/378832898.db2.gz ADIOPAGAZJGAAN-ZIAGYGMSSA-N 1 0 254.418 2.803 20 70 CFIDRO CCC(CC)(C[NH3+])C(=O)N(CCC(F)(F)F)CC1CC1 ZINC000161258209 378833997 /nfs/dbraw/zinc/83/39/97/378833997.db2.gz ZAGMAXWTNHFXQU-UHFFFAOYSA-N 1 0 294.361 2.943 20 70 CFIDRO CSCC[C@H]([NH3+])C(=O)N[C@H](C)c1cccc(C)c1C ZINC000160836389 378802785 /nfs/dbraw/zinc/80/27/85/378802785.db2.gz KDGUEAASHOPHBJ-OCCSQVGLSA-N 1 0 280.437 2.561 20 70 CFIDRO CCC[C@@H]([NH2+]CC(=O)NC(C)C)c1ccc(OC)cc1 ZINC000160917583 378809330 /nfs/dbraw/zinc/80/93/30/378809330.db2.gz PKFGQIYVTSZTBC-OAHLLOKOSA-N 1 0 278.396 2.651 20 70 CFIDRO CC(C)NC(=O)C[NH2+][C@@H](Cc1ccc(F)cc1)C(C)C ZINC000160959914 378811686 /nfs/dbraw/zinc/81/16/86/378811686.db2.gz ZCMZKHBEEQJINS-HNNXBMFYSA-N 1 0 280.387 2.507 20 70 CFIDRO C[C@H]([NH2+][C@H]1CCO[C@@]2(CCSC2)C1)c1ccncc1 ZINC000160987778 378814439 /nfs/dbraw/zinc/81/44/39/378814439.db2.gz XMDLKPYBIMJYKJ-QEJZJMRPSA-N 1 0 278.421 2.787 20 70 CFIDRO CCCC[C@H](NCc1cccc2cc[nH]c21)C(=O)OC ZINC000161043702 378816628 /nfs/dbraw/zinc/81/66/28/378816628.db2.gz WXKKKZYYDWOFGM-AWEZNQCLSA-N 1 0 274.364 2.989 20 70 CFIDRO COc1ccc(CN(C)CC[C@H]2CCC[N@@H+]2C)cc1 ZINC000161275392 378835737 /nfs/dbraw/zinc/83/57/37/378835737.db2.gz QYYNBVMIZLRIBY-OAHLLOKOSA-N 1 0 262.397 2.611 20 70 CFIDRO C[C@H](NC(=O)[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1Cl ZINC000161152377 378826174 /nfs/dbraw/zinc/82/61/74/378826174.db2.gz HWBOWIXSEYYDKB-VHSXEESVSA-N 1 0 284.762 2.656 20 70 CFIDRO Cc1nccn1CCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000161329737 378839783 /nfs/dbraw/zinc/83/97/83/378839783.db2.gz MJLNYHRYGPVXKB-GOSISDBHSA-N 1 0 298.434 2.570 20 70 CFIDRO CC[NH+](CC)[C@H](CNC(=O)C[C@H](C)SC)c1ccco1 ZINC000161388006 378843045 /nfs/dbraw/zinc/84/30/45/378843045.db2.gz QAZGGRDPMLKXGH-QWHCGFSZSA-N 1 0 298.452 2.920 20 70 CFIDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H](C)CC(C)C)c1 ZINC000161438177 378847613 /nfs/dbraw/zinc/84/76/13/378847613.db2.gz UGVMJGPDWCEEQR-QWHCGFSZSA-N 1 0 298.452 2.680 20 70 CFIDRO C[C@H](C[NH2+][C@H](C)c1cnn(C)c1)COCc1ccccc1 ZINC000161299631 378837530 /nfs/dbraw/zinc/83/75/30/378837530.db2.gz FZBSKHREYHZCCD-HUUCEWRRSA-N 1 0 287.407 2.924 20 70 CFIDRO CCOc1cc(CNCC[N@H+](C)[C@@H](C)CC)ccc1OC ZINC000217378733 382786236 /nfs/dbraw/zinc/78/62/36/382786236.db2.gz BKXAPVYFEVIGES-AWEZNQCLSA-N 1 0 294.439 2.914 20 70 CFIDRO CC[C@H](C)[N@H+](C)CCNCc1ccc(OC)cc1OC ZINC000217383641 382786528 /nfs/dbraw/zinc/78/65/28/382786528.db2.gz RTVFHJDYXZURTN-ZDUSSCGKSA-N 1 0 280.412 2.524 20 70 CFIDRO C[C@H]1C[N@H+](C[C@@H](O)c2cc3ccccc3o2)CCCO1 ZINC000217603558 382787304 /nfs/dbraw/zinc/78/73/04/382787304.db2.gz MYRORXNAGJOYDJ-GXTWGEPZSA-N 1 0 275.348 2.577 20 70 CFIDRO CCOc1cc(CNCC[N@H+](C)[C@@H](C)CC)ccc1O ZINC000217880225 382788035 /nfs/dbraw/zinc/78/80/35/382788035.db2.gz PQYWFASAZHGIST-ZDUSSCGKSA-N 1 0 280.412 2.611 20 70 CFIDRO C[C@H](N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc2c(c1)CCO2 ZINC000218131588 382789362 /nfs/dbraw/zinc/78/93/62/382789362.db2.gz SEBNJRSDKGYVBE-JQFCIGGWSA-N 1 0 286.419 2.899 20 70 CFIDRO CCCn1c2ccccc2nc1CNC[C@@H]1CCC[N@@H+]1C ZINC000218235296 382789858 /nfs/dbraw/zinc/78/98/58/382789858.db2.gz PWSPERSCDBWUKM-AWEZNQCLSA-N 1 0 286.423 2.630 20 70 CFIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)CCC(C)(C)C)CC1 ZINC000159883503 285210716 /nfs/dbraw/zinc/21/07/16/285210716.db2.gz REANZWQRRAAEQT-AWEZNQCLSA-N 1 0 283.460 2.938 20 70 CFIDRO Cc1cc(C[NH2+]C[C@@H](C)N(C)C2CC2)cc(C)c1O ZINC000217525538 130760915 /nfs/dbraw/zinc/76/09/15/130760915.db2.gz RQLQKXIOTRYECJ-CYBMUJFWSA-N 1 0 262.397 2.581 20 70 CFIDRO Cn1cccc1C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000217799340 130763851 /nfs/dbraw/zinc/76/38/51/130763851.db2.gz VKXYNHPKQDLABW-UHFFFAOYSA-N 1 0 293.411 2.514 20 70 CFIDRO [NH3+]CCN1CCC(c2ccccc2Br)CC1 ZINC000217245054 393756702 /nfs/dbraw/zinc/75/67/02/393756702.db2.gz DGMJEKNUVXNHBL-UHFFFAOYSA-N 1 0 283.213 2.587 20 70 CFIDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc(Cl)cc1O ZINC000217406420 393757232 /nfs/dbraw/zinc/75/72/32/393757232.db2.gz AUCKGFIFBBDOBA-SNVBAGLBSA-N 1 0 284.787 2.506 20 70 CFIDRO CC1(C)CC[C@@H]([NH2+]CCNC(=O)C2CC2)c2ccccc21 ZINC000160694805 394366934 /nfs/dbraw/zinc/36/69/34/394366934.db2.gz UCCOAGGOXVNMJG-MRXNPFEDSA-N 1 0 286.419 2.915 20 70 CFIDRO CC(C)C[NH2+]CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000218100006 397621080 /nfs/dbraw/zinc/62/10/80/397621080.db2.gz QBNIPFQCYLEDRD-ZDUSSCGKSA-N 1 0 270.417 2.879 20 70 CFIDRO CCO[C@H]1C[C@H](NC(=O)C(CC)(CC)C[NH3+])C12CCCC2 ZINC000161235234 286523596 /nfs/dbraw/zinc/52/35/96/286523596.db2.gz CPOPBVSPAWYIAW-KBPBESRZSA-N 1 0 296.455 2.606 20 70 CFIDRO COc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccoc1)CC2 ZINC000159553597 274125644 /nfs/dbraw/zinc/12/56/44/274125644.db2.gz IDUBTNLLGUGBAI-HNNXBMFYSA-N 1 0 257.333 2.935 20 70 CFIDRO Cc1ccc2[nH+]ccc(N3CCC(n4ccnn4)CC3)c2c1 ZINC000160205500 274786921 /nfs/dbraw/zinc/78/69/21/274786921.db2.gz HGCOPVRWMUSTIZ-UHFFFAOYSA-N 1 0 293.374 2.976 20 70 CFIDRO O=C1CCN(CCC[NH+]2CCCCC2)c2ccccc2N1 ZINC000161432969 275017380 /nfs/dbraw/zinc/01/73/80/275017380.db2.gz IZYQFCBUHXFDMS-UHFFFAOYSA-N 1 0 287.407 2.711 20 70 CFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)/C=C/c1cc2ccccc2o1 ZINC000161296693 277276157 /nfs/dbraw/zinc/27/61/57/277276157.db2.gz NSGLHTJPGCKULN-VFNNOXKTSA-N 1 0 284.359 2.656 20 70 CFIDRO C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000161044435 278934236 /nfs/dbraw/zinc/93/42/36/278934236.db2.gz SBNBYAHSAZVPSV-IOASZLSFSA-N 1 0 290.382 2.735 20 70 CFIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H]2CCCCC2(C)C)CC1 ZINC000159976358 279285927 /nfs/dbraw/zinc/28/59/27/279285927.db2.gz DMQHMHFEEFLPBS-CQSZACIVSA-N 1 0 281.444 2.692 20 70 CFIDRO C[C@H](NC[C@@H](C1CCCCC1)[NH+](C)C)c1cnccn1 ZINC000160402574 279473913 /nfs/dbraw/zinc/47/39/13/279473913.db2.gz LRIHMFFEYMIFAK-BBRMVZONSA-N 1 0 276.428 2.638 20 70 CFIDRO C[C@H](CNC(=O)[C@H]1CCC[C@H](C)C1)C[NH+]1CCCC1 ZINC000161074438 289682520 /nfs/dbraw/zinc/68/25/20/289682520.db2.gz AVMVUJAQPFNJDG-ZNMIVQPWSA-N 1 0 266.429 2.661 20 70 CFIDRO C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000161047279 297462044 /nfs/dbraw/zinc/46/20/44/297462044.db2.gz TZOXYRDHWCTASB-XNRPHZJLSA-N 1 0 290.382 2.735 20 70 CFIDRO Cc1ccccc1OCCC[N@@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159585385 322324588 /nfs/dbraw/zinc/32/45/88/322324588.db2.gz OXOSORXMTQLYBS-HOTGVXAUSA-N 1 0 277.408 2.857 20 70 CFIDRO CC[C@@H](OC1CCCCC1)C(=O)NCC(C)(C)C[NH+](C)C ZINC000159583537 322324626 /nfs/dbraw/zinc/32/46/26/322324626.db2.gz FNNAGJLMHKBHSV-OAHLLOKOSA-N 1 0 298.471 2.818 20 70 CFIDRO CC(C)C[C@@H](C)NC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000159611327 322325024 /nfs/dbraw/zinc/32/50/24/322325024.db2.gz PFVPNUFTEFNBRW-ZIAGYGMSSA-N 1 0 269.433 2.595 20 70 CFIDRO Cc1csc([C@@H]([NH2+]CCC(C)(C)O)C2CC2)n1 ZINC000159614491 322325040 /nfs/dbraw/zinc/32/50/40/322325040.db2.gz AXJMRGMVPRREKI-NSHDSACASA-N 1 0 254.399 2.653 20 70 CFIDRO CC(C)C[C@@H](C)NC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000159611058 322325304 /nfs/dbraw/zinc/32/53/04/322325304.db2.gz PFVPNUFTEFNBRW-KGLIPLIRSA-N 1 0 269.433 2.595 20 70 CFIDRO CC(C)CCNC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000159658425 322326200 /nfs/dbraw/zinc/32/62/00/322326200.db2.gz BHHLHXPMOXQMSY-UHFFFAOYSA-N 1 0 283.460 2.796 20 70 CFIDRO CC[NH+](CC)Cc1ccccc1CNC(=O)C1(C)CC1 ZINC000159727681 322327281 /nfs/dbraw/zinc/32/72/81/322327281.db2.gz DSORGXQNLHJDDS-UHFFFAOYSA-N 1 0 274.408 2.945 20 70 CFIDRO CCCC(=O)Nc1cccc(C[NH2+][C@@H](C)[C@@H]2CCOC2)c1 ZINC000159881053 322329078 /nfs/dbraw/zinc/32/90/78/322329078.db2.gz KMVIRKGRHDDRFQ-DZGCQCFKSA-N 1 0 290.407 2.940 20 70 CFIDRO Cc1c2cc(C)ccc2[nH]c1C(=O)NCC1CC[NH+](C)CC1 ZINC000159912640 322330019 /nfs/dbraw/zinc/33/00/19/322330019.db2.gz PVNCQSREHKLLQQ-UHFFFAOYSA-N 1 0 299.418 2.856 20 70 CFIDRO CC[C@H]([NH2+]CCCNC(=O)C(C)C)c1ccccc1 ZINC000159981522 322331606 /nfs/dbraw/zinc/33/16/06/322331606.db2.gz QXVYYGJTFPNNPZ-HNNXBMFYSA-N 1 0 262.397 2.890 20 70 CFIDRO C[C@@H](NC(=O)NCC1(C2CC2)CCC1)C(C)(C)C[NH+](C)C ZINC000160030347 322331987 /nfs/dbraw/zinc/33/19/87/322331987.db2.gz LDDDMYKQCRBQFS-CYBMUJFWSA-N 1 0 295.471 2.842 20 70 CFIDRO C[C@H]([NH2+][C@@H]1CCN(C2CCCCC2)C1=O)c1cccnc1 ZINC000160154610 322333475 /nfs/dbraw/zinc/33/34/75/322333475.db2.gz SWDDFDSIMLDVCU-XJKSGUPXSA-N 1 0 287.407 2.666 20 70 CFIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(F)cc1F ZINC000160427395 322338170 /nfs/dbraw/zinc/33/81/70/322338170.db2.gz VQMMZMDUJCHOSI-CYBMUJFWSA-N 1 0 296.361 2.815 20 70 CFIDRO CCn1nc(C)c(C[NH2+][C@H]2CCOC(C)(C)C2)c1C ZINC000160560510 322339381 /nfs/dbraw/zinc/33/93/81/322339381.db2.gz VJXRHPYSULDDOV-ZDUSSCGKSA-N 1 0 265.401 2.567 20 70 CFIDRO CC1(C)C[C@@H]([NH2+]Cc2cccc3c[nH]nc32)CCO1 ZINC000160591010 322339900 /nfs/dbraw/zinc/33/99/00/322339900.db2.gz MISPUUNLMFTDGS-ZDUSSCGKSA-N 1 0 259.353 2.610 20 70 CFIDRO CCCn1c(C)nnc1C[N@H+](CC)C[C@@H](C)CC ZINC000160595671 322340064 /nfs/dbraw/zinc/34/00/64/322340064.db2.gz CMVFMQUCYIGLHR-LBPRGKRZSA-N 1 0 252.406 2.865 20 70 CFIDRO CCC[N@H+](Cc1ccc(C)cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000161097749 322346829 /nfs/dbraw/zinc/34/68/29/322346829.db2.gz FGNUCAGRVBKLPT-INIZCTEOSA-N 1 0 295.448 2.703 20 70 CFIDRO CCCC[C@H](COC)[NH2+]CCc1ccc2c(c1)OCO2 ZINC000161134949 322347450 /nfs/dbraw/zinc/34/74/50/322347450.db2.gz NOZGLUHYGVYEMQ-CQSZACIVSA-N 1 0 279.380 2.753 20 70 CFIDRO CC(C)[C@H]([NH2+]CCc1ccc2c(c1)OCO2)C1CC1 ZINC000161149740 322348075 /nfs/dbraw/zinc/34/80/75/322348075.db2.gz MDGZATWEMXQKNY-INIZCTEOSA-N 1 0 261.365 2.982 20 70 CFIDRO CC(C)[NH2+]CCC(=O)N1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000161245599 322349147 /nfs/dbraw/zinc/34/91/47/322349147.db2.gz SGMCAOYZKNDUMN-UKRRQHHQSA-N 1 0 292.398 2.918 20 70 CFIDRO CCC[N@H+](CCO)Cc1cnc(-c2ccc(C)o2)s1 ZINC000161231822 322349258 /nfs/dbraw/zinc/34/92/58/322349258.db2.gz MKCOMFSJVXCEJY-UHFFFAOYSA-N 1 0 280.393 2.916 20 70 CFIDRO C[NH+](C)CC[C@@H](NC(=O)NC1(C)CCC1)C(C)(C)C ZINC000161321559 322350422 /nfs/dbraw/zinc/35/04/22/322350422.db2.gz BTWUJAYRLPYFIE-GFCCVEGCSA-N 1 0 269.433 2.595 20 70 CFIDRO CC1(NC(=O)NCCCCC[NH+]2CCCCC2)CCC1 ZINC000161411139 322351351 /nfs/dbraw/zinc/35/13/51/322351351.db2.gz ZPWSBBQOIAJQLB-UHFFFAOYSA-N 1 0 281.444 2.884 20 70 CFIDRO CC(C)(NC(=O)C[C@@H]1CCC[NH2+]1)c1cccc(Cl)c1 ZINC000159647823 519305487 /nfs/dbraw/zinc/30/54/87/519305487.db2.gz WWXHCTYOLMKJMJ-ZDUSSCGKSA-N 1 0 280.799 2.833 20 70 CFIDRO CC(C)C[C@H]1CCCCCN1C(=O)C[NH2+]CC1CC1 ZINC000159917666 519405908 /nfs/dbraw/zinc/40/59/08/519405908.db2.gz CVDMIADMGAKMSG-OAHLLOKOSA-N 1 0 266.429 2.803 20 70 CFIDRO CC(C)[C@@H]1C[N@H+](Cc2cnc3ccccn23)CCS1 ZINC000160878269 519804565 /nfs/dbraw/zinc/80/45/65/519804565.db2.gz MESRONZPXOUOJJ-AWEZNQCLSA-N 1 0 275.421 2.908 20 70 CFIDRO CCCCCOc1ccc([C@@H](C)[NH2+]CCO)cc1 ZINC000159712453 520256975 /nfs/dbraw/zinc/25/69/75/520256975.db2.gz OOXJVJQWQKESFG-CYBMUJFWSA-N 1 0 251.370 2.899 20 70 CFIDRO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCOC2)C1(CC)CC ZINC000161309730 520433599 /nfs/dbraw/zinc/43/35/99/520433599.db2.gz CPIZWQVKTGKCLM-HZSPNIEDSA-N 1 0 255.402 2.739 20 70 CFIDRO CC1(C)Cc2cccc(C[NH2+]CCOCC3CC3)c2O1 ZINC000217803133 520582592 /nfs/dbraw/zinc/58/25/92/520582592.db2.gz MGFLTXDWULZPKY-UHFFFAOYSA-N 1 0 275.392 2.916 20 70 CFIDRO CC1CC[NH+](CCNC(=O)[C@@H]2CCC[C@H](C)C2)CC1 ZINC000160552690 521012899 /nfs/dbraw/zinc/01/28/99/521012899.db2.gz ODIYJYDJYYXVGV-LSDHHAIUSA-N 1 0 266.429 2.661 20 70 CFIDRO CCCC[C@H](COC)[NH2+]C[C@H]1CC(=O)Nc2ccccc21 ZINC000160650540 521199227 /nfs/dbraw/zinc/19/92/27/521199227.db2.gz BRZOXPUJMIIGJW-ZIAGYGMSSA-N 1 0 290.407 2.907 20 70 CFIDRO CCC(CC)[N@H+](CCOC)Cc1cnc2ccccn12 ZINC000159706856 521560767 /nfs/dbraw/zinc/56/07/67/521560767.db2.gz HMYPIEILUGYUKO-UHFFFAOYSA-N 1 0 275.396 2.971 20 70 CFIDRO COC(=O)c1ccc(C[N@@H+]2CC[C@H](C(C)(C)C)C2)nc1 ZINC000160583722 522011975 /nfs/dbraw/zinc/01/19/75/522011975.db2.gz VFWSQLHFSXQFTJ-ZDUSSCGKSA-N 1 0 276.380 2.736 20 70 CFIDRO CC[C@H](C)c1cc(C(=O)N[C@@H](C)C[NH+]2CCCCC2)on1 ZINC000160369569 522031631 /nfs/dbraw/zinc/03/16/31/522031631.db2.gz GHLZMJUQDYYTEH-STQMWFEESA-N 1 0 293.411 2.792 20 70 CFIDRO [NH3+]CCCNC(=O)CC1CCC(c2ccccc2)CC1 ZINC000160128238 534611054 /nfs/dbraw/zinc/61/10/54/534611054.db2.gz TWPQYPNDYBSFLJ-UHFFFAOYSA-N 1 0 274.408 2.816 20 70 CFIDRO CC[C@H]([NH2+]CCCc1nc(C(C)C)no1)C1CC1 ZINC000160822460 522587920 /nfs/dbraw/zinc/58/79/20/522587920.db2.gz GZADLDXGTZBQPQ-LBPRGKRZSA-N 1 0 251.374 2.904 20 70 CFIDRO CC[C@H]([NH2+]C[C@@H](C)N(C)Cc1ccccc1)[C@H]1CCOC1 ZINC000160882918 522605954 /nfs/dbraw/zinc/60/59/54/522605954.db2.gz ATERHQCISOMBFN-NJAFHUGGSA-N 1 0 290.451 2.912 20 70 CFIDRO CCc1ncnc(NC[C@@H](C)C[NH+]2CCCCC2)c1F ZINC000217982164 522610092 /nfs/dbraw/zinc/61/00/92/522610092.db2.gz OQOBOTKMQGGLFB-GFCCVEGCSA-N 1 0 280.391 2.712 20 70 CFIDRO CC[C@H]([NH2+][C@@H](CCO)CSC)c1cccc(OC)c1 ZINC000160198684 522706468 /nfs/dbraw/zinc/70/64/68/522706468.db2.gz VEDPWLQPZNKPEM-ZFWWWQNUSA-N 1 0 283.437 2.850 20 70 CFIDRO CN(CC[N@H+](C)Cc1cnc2ccccn12)c1ccccc1 ZINC000160243966 522819748 /nfs/dbraw/zinc/81/97/48/522819748.db2.gz LGVDGKLTEIKJRJ-UHFFFAOYSA-N 1 0 294.402 2.903 20 70 CFIDRO CCc1sc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1C ZINC000160550989 523070594 /nfs/dbraw/zinc/07/05/94/523070594.db2.gz ZWGGCCNHGZKVHM-TXEJJXNPSA-N 1 0 278.421 2.585 20 70 CFIDRO CCn1cc([C@@H](C)NC2CC[NH+](C3CCCC3)CC2)cn1 ZINC000160487937 523452474 /nfs/dbraw/zinc/45/24/74/523452474.db2.gz FPVYSLVNHKKHET-CQSZACIVSA-N 1 0 290.455 2.961 20 70 CFIDRO CC[C@]1(C)C[C@H]1C(=O)NCC[NH2+]C1CCCCCC1 ZINC000159671837 523597019 /nfs/dbraw/zinc/59/70/19/523597019.db2.gz BCYKJMFRZODUPS-GOEBONIOSA-N 1 0 266.429 2.851 20 70 CFIDRO CO[C@@]1(C[NH2+]CC[C@H](C)c2ccccc2)CCOC1 ZINC000160079392 523816656 /nfs/dbraw/zinc/81/66/56/523816656.db2.gz DXNOXQKWOSYIBC-GOEBONIOSA-N 1 0 263.381 2.575 20 70 CFIDRO CC[C@H](C)[N@H+](C)CCNCc1c[nH]nc1-c1cccs1 ZINC000217392179 523921238 /nfs/dbraw/zinc/92/12/38/523921238.db2.gz KRGDONNDUIJUFC-LBPRGKRZSA-N 1 0 292.452 2.958 20 70 CFIDRO COc1ccc(C[NH2+]C[C@H]2CCC(C)(C)O2)cc1OC ZINC000160215506 524072034 /nfs/dbraw/zinc/07/20/34/524072034.db2.gz QXJVTVBKHLXJLR-CYBMUJFWSA-N 1 0 279.380 2.751 20 70 CFIDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CC2(C)C)C1 ZINC000160691758 524084466 /nfs/dbraw/zinc/08/44/66/524084466.db2.gz QEMVXLFZZLXNSF-STQMWFEESA-N 1 0 266.429 2.659 20 70 CFIDRO C[C@H]1CCC[C@@H](C(=O)NCC[NH+]2CCCCCC2)C1 ZINC000160222274 524126924 /nfs/dbraw/zinc/12/69/24/524126924.db2.gz XOLCUAVEMPATRO-LSDHHAIUSA-N 1 0 266.429 2.805 20 70 CFIDRO COc1ccc([C@H](C)[NH2+][C@H](CCO)CSC)cc1F ZINC000160218637 525335723 /nfs/dbraw/zinc/33/57/23/525335723.db2.gz LWYJXAHKJKWYOI-CMPLNLGQSA-N 1 0 287.400 2.599 20 70 CFIDRO C[C@H]([NH2+]CCN(C)Cc1ccc(F)cc1)C1CCOCC1 ZINC000160147696 525350385 /nfs/dbraw/zinc/35/03/85/525350385.db2.gz ISNVSBLUOSNTKC-AWEZNQCLSA-N 1 0 294.414 2.662 20 70 CFIDRO CSCCCCC(=O)NCC[NH+]1CCCCCC1 ZINC000159654768 525402231 /nfs/dbraw/zinc/40/22/31/525402231.db2.gz ZGSHWHRAHAIEOV-UHFFFAOYSA-N 1 0 272.458 2.512 20 70 CFIDRO C[C@@H]([NH2+]C[C@H]1CC(=O)Nc2ccccc21)C1CCOCC1 ZINC000160739100 525497768 /nfs/dbraw/zinc/49/77/68/525497768.db2.gz WFAZOKCPIQIOIA-TZMCWYRMSA-N 1 0 288.391 2.517 20 70 CFIDRO C[C@@H](O)C(C)(C)[NH2+]Cc1cccc(Br)c1 ZINC000160616124 525744436 /nfs/dbraw/zinc/74/44/36/525744436.db2.gz SRHWPDXCOCVGSJ-SECBINFHSA-N 1 0 272.186 2.698 20 70 CFIDRO Cc1ccc(C(=O)CCN2C[C@@H](C)[NH+](C)[C@H](C)C2)cc1 ZINC000160216538 526045198 /nfs/dbraw/zinc/04/51/98/526045198.db2.gz JFWKVZKUPNJWLK-HUUCEWRRSA-N 1 0 274.408 2.592 20 70 CFIDRO Cc1nc(-c2cc([C@H](C)[NH2+]CCO)cs2)cs1 ZINC000159695869 526563555 /nfs/dbraw/zinc/56/35/55/526563555.db2.gz LHSNWLQHTBAJLQ-QMMMGPOBSA-N 1 0 268.407 2.823 20 70 CFIDRO Cc1nc2ccccn2c1C[N@@H+]1CCSC(C)(C)C1 ZINC000161309834 527178622 /nfs/dbraw/zinc/17/86/22/527178622.db2.gz RVBWAAHPYUDWER-UHFFFAOYSA-N 1 0 275.421 2.970 20 70 CFIDRO Cc1nn(C)c(C)c1C[N@H+](C)CCc1cccs1 ZINC000161058087 527627386 /nfs/dbraw/zinc/62/73/86/527627386.db2.gz WAMJHBWUISKNSL-UHFFFAOYSA-N 1 0 263.410 2.773 20 70 CFIDRO CCC[C@H](CC1CCCC1)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000160584059 528113261 /nfs/dbraw/zinc/11/32/61/528113261.db2.gz NWQSOVONLPQHMJ-CABCVRRESA-N 1 0 266.429 2.803 20 70 CFIDRO CCCNC(=O)c1cccc(C[NH2+][C@@H](COC)C(C)C)c1 ZINC000160624828 528463823 /nfs/dbraw/zinc/46/38/23/528463823.db2.gz USGPXWSEZGFFAW-INIZCTEOSA-N 1 0 292.423 2.587 20 70 CFIDRO CCOCCC[N@@H+]1C[C@@H](c2ccccc2)OC[C@@H]1C ZINC000160381062 528671736 /nfs/dbraw/zinc/67/17/36/528671736.db2.gz XQVIABJPGAAPDY-HOCLYGCPSA-N 1 0 263.381 2.875 20 70 CFIDRO CCCC[C@@H](CC)CNC(=O)N1CCC[N@H+](CC)CC1 ZINC000159507236 528778392 /nfs/dbraw/zinc/77/83/92/528778392.db2.gz IWAOJGCUDSMZEM-OAHLLOKOSA-N 1 0 283.460 2.940 20 70 CFIDRO CCC([NH3+])(CC)CNC(=O)c1c(Cl)cccc1OC ZINC000160543089 528945533 /nfs/dbraw/zinc/94/55/33/528945533.db2.gz GETUJYGHTPGHSI-UHFFFAOYSA-N 1 0 284.787 2.596 20 70 CFIDRO CC[N@@H+]1CCCN(C(=O)NC[C@@H]2CCC[C@H](C)C2)CC1 ZINC000159741964 529026848 /nfs/dbraw/zinc/02/68/48/529026848.db2.gz OUVMKQHFGNWROG-LSDHHAIUSA-N 1 0 281.444 2.550 20 70 CFIDRO CC[C@H]1CCC[C@H]1NC(=O)N(CC[NH+](C)C)C(C)C ZINC000159596908 529233779 /nfs/dbraw/zinc/23/37/79/529233779.db2.gz QJDQYFWSHDUCDD-UONOGXRCSA-N 1 0 269.433 2.547 20 70 CFIDRO CC[C@H](CC(=O)NCC1([NH3+])CCCCC1)C(C)C ZINC000159475599 529303863 /nfs/dbraw/zinc/30/38/63/529303863.db2.gz BRDWHALJHMFCCX-CYBMUJFWSA-N 1 0 254.418 2.837 20 70 CFIDRO [NH3+]C1(CNC(=O)[C@@H]2C[C@H]2C2CCCCC2)CCCCC1 ZINC000159478690 232245038 /nfs/dbraw/zinc/24/50/38/232245038.db2.gz WVDXMJIWDHFRPF-LSDHHAIUSA-N 1 0 278.440 2.981 20 70 CFIDRO CC(C)(C)CCC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000159394089 348012474 /nfs/dbraw/zinc/01/24/74/348012474.db2.gz SRIBHVFBKUMETP-AWEZNQCLSA-N 1 0 266.429 2.900 20 70 CFIDRO CCCCN(C)C(=O)C1CC[NH+](CCSCC)CC1 ZINC000159410133 348012555 /nfs/dbraw/zinc/01/25/55/348012555.db2.gz BNCQCCNOKBIOOZ-UHFFFAOYSA-N 1 0 286.485 2.710 20 70 CFIDRO CCc1ccc([C@@H](C)CC(=O)NCC[N@@H+](C)CC)cc1 ZINC000160148608 348015984 /nfs/dbraw/zinc/01/59/84/348015984.db2.gz ZGTJYWWAJDKHIM-AWEZNQCLSA-N 1 0 276.424 2.811 20 70 CFIDRO C[NH+](C)C[C@@H]1CCN(C(=O)C2CCC(C)(C)CC2)C1 ZINC000160369589 348017054 /nfs/dbraw/zinc/01/70/54/348017054.db2.gz NBTABWWHVBXEMW-ZDUSSCGKSA-N 1 0 266.429 2.613 20 70 CFIDRO O=C(CCc1cccc(Cl)c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160323154 348017086 /nfs/dbraw/zinc/01/70/86/348017086.db2.gz VWCJDHQYLLIXSD-GASCZTMLSA-N 1 0 292.810 2.626 20 70 CFIDRO FC(F)(F)c1nnc(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)s1 ZINC000160326911 348017246 /nfs/dbraw/zinc/01/72/46/348017246.db2.gz WDKZMHPDOKXGJP-YUMQZZPRSA-N 1 0 292.330 2.596 20 70 CFIDRO CC(C)[NH2+]CCC(=O)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000160386601 348017871 /nfs/dbraw/zinc/01/78/71/348017871.db2.gz JKEMHKGMZBWCQI-OAHLLOKOSA-N 1 0 292.398 2.605 20 70 CFIDRO C[N@@H+]1CCN(Cc2ccc(O)cc2)[C@@H](c2ccccc2)C1 ZINC000217745745 539666044 /nfs/dbraw/zinc/66/60/44/539666044.db2.gz PUKXSDAXZBVBQV-GOSISDBHSA-N 1 0 282.387 2.881 20 70 CFIDRO CC[C@H]([NH2+]CCCN1CCCC1=O)c1ccccc1 ZINC000159492277 188428600 /nfs/dbraw/zinc/42/86/00/188428600.db2.gz PZIHUXVLQOSYFB-HNNXBMFYSA-N 1 0 260.381 2.740 20 70 CFIDRO Fc1cccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000159598510 188433727 /nfs/dbraw/zinc/43/37/27/188433727.db2.gz RZNLICIQXPIXKV-ZNMIVQPWSA-N 1 0 261.340 2.873 20 70 CFIDRO CC(C)(O)C[NH2+][C@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000160632714 188484673 /nfs/dbraw/zinc/48/46/73/188484673.db2.gz CQGOZSYFCBJXBY-KBPBESRZSA-N 1 0 251.345 2.822 20 70 CFIDRO CC[C@@H](NC(=O)[C@H]1CC[C@H]([NH3+])C1)c1cc(F)ccc1F ZINC000160657459 188485475 /nfs/dbraw/zinc/48/54/75/188485475.db2.gz LOTDFYVYKMSTRE-NURSFMCSSA-N 1 0 282.334 2.660 20 70 CFIDRO Cc1cc(NC(=O)C(C)(C)[NH3+])ccc1OCC(F)(F)F ZINC000161117826 188509431 /nfs/dbraw/zinc/50/94/31/188509431.db2.gz NAFADSIFANOALI-UHFFFAOYSA-N 1 0 290.285 2.612 20 70 CFIDRO CCCn1nccc1C[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000160028994 540667515 /nfs/dbraw/zinc/66/75/15/540667515.db2.gz ZNPSMUXPGXWIRN-GFCCVEGCSA-N 1 0 287.363 2.873 20 70 CFIDRO CC[C@@H]1c2ccccc2CCN1C(=O)CC[NH2+]C(C)C ZINC000160132748 540669032 /nfs/dbraw/zinc/66/90/32/540669032.db2.gz GVRPGFQEAJMVMS-MRXNPFEDSA-N 1 0 274.408 2.911 20 70 CFIDRO Cc1ccc(-c2ocnc2C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000160982560 540685247 /nfs/dbraw/zinc/68/52/47/540685247.db2.gz VKGXYSCHUUWRRL-KGLIPLIRSA-N 1 0 299.374 2.650 20 70 CFIDRO CC[C@@H](Cc1ccccc1)N(C)C(=O)CC1([NH3+])CCC1 ZINC000161107986 540688993 /nfs/dbraw/zinc/68/89/93/540688993.db2.gz ORYDTMAZMSQZNM-HNNXBMFYSA-N 1 0 274.408 2.738 20 70 CFIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2ccc(Cl)cc2Cl)C1 ZINC000161178988 540690546 /nfs/dbraw/zinc/69/05/46/540690546.db2.gz RSCGTRCJDMUGRD-ZJUUUORDSA-N 1 0 287.190 2.993 20 70 CFIDRO Cc1nc(CC(C)C)c(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000161411794 540692907 /nfs/dbraw/zinc/69/29/07/540692907.db2.gz FWSKQTUIMURQPB-VXGBXAGGSA-N 1 0 295.452 2.650 20 70 CFIDRO [NH3+][C@H]1CCC[C@H](NC(=O)CCCC2CCCC2)C1 ZINC000161224696 540690895 /nfs/dbraw/zinc/69/08/95/540690895.db2.gz UDBIJYLRTMLBJJ-KBPBESRZSA-N 1 0 252.402 2.733 20 70 CFIDRO Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000161385898 540692964 /nfs/dbraw/zinc/69/29/64/540692964.db2.gz GQTSWSGHOQJIQX-ZIAGYGMSSA-N 1 0 299.374 2.650 20 70 CFIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2cc3cccc(F)c3o2)C1 ZINC000161445083 540693587 /nfs/dbraw/zinc/69/35/87/540693587.db2.gz IBEIRQRGUFUODV-MNOVXSKESA-N 1 0 276.311 2.572 20 70 CFIDRO C[C@@H]([NH3+])C(=O)N[C@H](CC1CCCCC1)C(C)(C)C ZINC000160073626 296014780 /nfs/dbraw/zinc/01/47/80/296014780.db2.gz BFMGYLUCCGFUCA-DGCLKSJQSA-N 1 0 254.418 2.835 20 70 CFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1csc2c1CC[C@H](C)C2 ZINC000161329338 283564348 /nfs/dbraw/zinc/56/43/48/283564348.db2.gz OZUOPMRWQZVISI-RYUDHWBXSA-N 1 0 292.448 2.697 20 70 CFIDRO C[C@@H]([NH2+][C@H]1CCN(C(=O)C2CCCC2)C1)c1ccccn1 ZINC000159386744 540991933 /nfs/dbraw/zinc/99/19/33/540991933.db2.gz IJHOBHKXTZMPJI-HIFRSBDPSA-N 1 0 287.407 2.523 20 70 CFIDRO COc1ccc(C[N@H+](CCc2nccs2)C(C)C)cn1 ZINC000159794360 541012142 /nfs/dbraw/zinc/01/21/42/541012142.db2.gz DYZPCPNTVVPSKG-UHFFFAOYSA-N 1 0 291.420 3.000 20 70 CFIDRO CCCC(=O)Nc1cccc(C[NH2+][C@H](COC)C2CC2)c1 ZINC000159944241 541018888 /nfs/dbraw/zinc/01/88/88/541018888.db2.gz PMNASOWUKKKWDO-MRXNPFEDSA-N 1 0 290.407 2.940 20 70 CFIDRO C[NH+](C)C1(CN[C@@H]2CCCc3cccnc32)CCCC1 ZINC000160710329 541454976 /nfs/dbraw/zinc/45/49/76/541454976.db2.gz ONXGLVMJGZMOMV-OAHLLOKOSA-N 1 0 273.424 2.923 20 70 CFIDRO CS(=O)(=O)CCCC[N@@H+]1CCC[C@H]1Cc1ccccc1 ZINC000161328484 541586388 /nfs/dbraw/zinc/58/63/88/541586388.db2.gz OHLMOPFLTSHXIW-INIZCTEOSA-N 1 0 295.448 2.518 20 70 CFIDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)cn1 ZINC000161322479 541585512 /nfs/dbraw/zinc/58/55/12/541585512.db2.gz IBXBOMDEMPDMIS-AWEZNQCLSA-N 1 0 293.374 2.822 20 70 CFIDRO C[C@@H]([NH2+][C@@H](CCCO)c1ccccc1)[C@H]1CCOC1 ZINC000160720434 296152963 /nfs/dbraw/zinc/15/29/63/296152963.db2.gz CGMAOMZOTHXAQM-KBMXLJTQSA-N 1 0 263.381 2.515 20 70 CFIDRO O=C(c1ccccc1C(F)(F)F)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000159395373 296261135 /nfs/dbraw/zinc/26/11/35/296261135.db2.gz OJSADLQTVRCKIM-AWEZNQCLSA-N 1 0 298.308 2.531 20 70 CFIDRO CC[C@H](COC)[NH2+]C[C@@H](C)N1CCc2sccc2C1 ZINC000159878427 378735625 /nfs/dbraw/zinc/73/56/25/378735625.db2.gz KMXBVUXRINMWAI-TZMCWYRMSA-N 1 0 282.453 2.509 20 70 CFIDRO C[C@H]([NH2+]C[C@](C)(O)c1ccsc1)c1cncs1 ZINC000159959267 378740190 /nfs/dbraw/zinc/74/01/90/378740190.db2.gz GJSJPTUFXCHILP-CABZTGNLSA-N 1 0 268.407 2.763 20 70 CFIDRO C[NH2+]C[C@H](C)C(=O)N(C)[C@@H](C)c1cc(C)ccc1C ZINC000159967913 378740872 /nfs/dbraw/zinc/74/08/72/378740872.db2.gz DHKQWNVVHVGODF-KBPBESRZSA-N 1 0 262.397 2.678 20 70 CFIDRO [NH3+]C[C@@H]1CCCN1C(=O)/C=C/c1cc(Cl)ccc1Cl ZINC000160241021 378757507 /nfs/dbraw/zinc/75/75/07/378757507.db2.gz CUKVPFSGLLIYGC-UXONFWTHSA-N 1 0 299.201 2.956 20 70 CFIDRO C[C@H]([NH2+]CCC(C)(C)O)c1nc(-c2cccc(F)c2)no1 ZINC000160031987 378743179 /nfs/dbraw/zinc/74/31/79/378743179.db2.gz QUPUPOAWCDPUAB-JTQLQIEISA-N 1 0 293.342 2.687 20 70 CFIDRO CC(C)Oc1ccc(CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cn1 ZINC000160065730 378747003 /nfs/dbraw/zinc/74/70/03/378747003.db2.gz GSMKIWLYLZYKAP-IIAWOOMASA-N 1 0 291.439 2.687 20 70 CFIDRO C[C@@H]([NH2+]Cc1ccc(F)c(C(F)(F)F)c1)[C@H](C)CO ZINC000160152510 378752618 /nfs/dbraw/zinc/75/26/18/378752618.db2.gz UDKOZOWXOUNNBR-RKDXNWHRSA-N 1 0 279.277 2.951 20 70 CFIDRO C[C@@H](NC(=O)[C@H](C)N(C)Cc1cccnc1)c1ccccc1 ZINC000159459662 378710188 /nfs/dbraw/zinc/71/01/88/378710188.db2.gz DXSSJBINSCYYAJ-CABCVRRESA-N 1 0 297.402 2.779 20 70 CFIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)c1ccc(Br)cc1 ZINC000159566342 378717843 /nfs/dbraw/zinc/71/78/43/378717843.db2.gz PUGCNAXEQFMZFH-ZJUUUORDSA-N 1 0 272.186 2.823 20 70 CFIDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C1C2CC3CC(C2)CC1C3 ZINC000160196738 378755766 /nfs/dbraw/zinc/75/57/66/378755766.db2.gz VWGVGYXHSHPERB-MMLUDYIGSA-N 1 0 290.451 2.787 20 70 CFIDRO COC(=O)C[N@H+](CCCc1cccc(OC)c1)C(C)C ZINC000159600762 378718539 /nfs/dbraw/zinc/71/85/39/378718539.db2.gz MYGCBNXJEPUGFX-UHFFFAOYSA-N 1 0 279.380 2.511 20 70 CFIDRO COc1ccc(C[NH2+][C@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000159598362 378718922 /nfs/dbraw/zinc/71/89/22/378718922.db2.gz XGHVOCUPRGLLBM-PMPSAXMXSA-N 1 0 273.376 2.742 20 70 CFIDRO COC[C@@H](Cc1ccccc1)[NH2+][C@H]1CCCSC1 ZINC000159586995 378718950 /nfs/dbraw/zinc/71/89/50/378718950.db2.gz PLESWAISKCZBJP-LSDHHAIUSA-N 1 0 265.422 2.729 20 70 CFIDRO CC(C)(C)CC[N@@H+]1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000159623928 378721931 /nfs/dbraw/zinc/72/19/31/378721931.db2.gz BCHVZGDXRWCEGP-KGLIPLIRSA-N 1 0 281.396 2.840 20 70 CFIDRO Clc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cn1 ZINC000159649413 378722570 /nfs/dbraw/zinc/72/25/70/378722570.db2.gz XNIGWSPBNSIARK-BNOWGMLFSA-N 1 0 278.783 2.782 20 70 CFIDRO Cc1c2ccccc2oc1[C@@H](NC(=O)[C@H](C)[NH3+])C(C)C ZINC000159695916 378724383 /nfs/dbraw/zinc/72/43/83/378724383.db2.gz HEVHRLACGVYTRY-FZMZJTMJSA-N 1 0 274.364 2.902 20 70 CFIDRO C[NH+](C)[C@H](CNC(=O)NC1(C)CCC1)c1ccc(F)cc1 ZINC000159716190 378726015 /nfs/dbraw/zinc/72/60/15/378726015.db2.gz SDRTVQOKSQSNJT-CQSZACIVSA-N 1 0 293.386 2.670 20 70 CFIDRO C[N@@H+](Cc1cccc(OC(F)F)c1)C[C@@H]1CCC[C@@H]1O ZINC000159715211 378726299 /nfs/dbraw/zinc/72/62/99/378726299.db2.gz MNCLHRDRWPNHBC-JSGCOSHPSA-N 1 0 285.334 2.881 20 70 CFIDRO NC(=O)[C@H]([NH2+]CCC1Cc2ccccc2C1)c1ccccc1 ZINC000159734696 378727233 /nfs/dbraw/zinc/72/72/33/378727233.db2.gz XLOQIEADZFQMPW-GOSISDBHSA-N 1 0 294.398 2.608 20 70 CFIDRO C[C@]1(c2ccccc2)CCC[N@H+](CCn2ccnc2)C1 ZINC000159826991 378731800 /nfs/dbraw/zinc/73/18/00/378731800.db2.gz ZCPIFZVDKIOGML-KRWDZBQOSA-N 1 0 269.392 2.937 20 70 CFIDRO CC(C)[C@@H]([NH3+])C(=O)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000159812845 378732299 /nfs/dbraw/zinc/73/22/99/378732299.db2.gz NOQQKEZABVNVPM-GXTWGEPZSA-N 1 0 280.799 2.639 20 70 CFIDRO COc1cc(NC(=O)CCC2CC[NH2+]CC2)ccc1F ZINC000160336628 378763797 /nfs/dbraw/zinc/76/37/97/378763797.db2.gz ULOFWFOOJRZJGY-UHFFFAOYSA-N 1 0 280.343 2.553 20 70 CFIDRO CCc1ccc([C@@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)cc1 ZINC000160332143 378763911 /nfs/dbraw/zinc/76/39/11/378763911.db2.gz ZIPOWMFLYRODMU-MLGOLLRUSA-N 1 0 284.407 2.815 20 70 CFIDRO Cc1ccc(O)c(C[N@H+](C)Cc2cccc(F)c2)n1 ZINC000160459377 378774298 /nfs/dbraw/zinc/77/42/98/378774298.db2.gz ZTQJNKDYBHVHFB-UHFFFAOYSA-N 1 0 260.312 2.867 20 70 CFIDRO CCC([NH3+])(CC)CNC(=O)CCOc1cc(C)ccc1C ZINC000160468221 378774719 /nfs/dbraw/zinc/77/47/19/378774719.db2.gz UXQDFHCJTLZHBK-UHFFFAOYSA-N 1 0 292.423 2.706 20 70 CFIDRO CCC([NH3+])(CC)CNC(=O)COc1ccc(Cl)c(C)c1 ZINC000160486839 378776011 /nfs/dbraw/zinc/77/60/11/378776011.db2.gz ZGIZYLNUFCZGPM-UHFFFAOYSA-N 1 0 298.814 2.661 20 70 CFIDRO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1ccc([S@@](C)=O)cc1 ZINC000160574376 378783165 /nfs/dbraw/zinc/78/31/65/378783165.db2.gz OETAKBAKOXAZHL-DXJCSPRDSA-N 1 0 295.448 2.626 20 70 CFIDRO COCCC1(C[NH2+]Cc2ccccc2NC(C)=O)CC1 ZINC000160585955 378784067 /nfs/dbraw/zinc/78/40/67/378784067.db2.gz MGPKVFQCFQSWKP-UHFFFAOYSA-N 1 0 276.380 2.551 20 70 CFIDRO CCC(CC)(C(=O)N1CC[C@@H]([NH2+]C)C1)c1ccccc1 ZINC000160588817 378784400 /nfs/dbraw/zinc/78/44/00/378784400.db2.gz YDNTZLXMFZHZJT-OAHLLOKOSA-N 1 0 274.408 2.565 20 70 CFIDRO CC[C@H](C)OCC(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC000160595476 378784464 /nfs/dbraw/zinc/78/44/64/378784464.db2.gz DGIQSFAGRVZZDY-AWEZNQCLSA-N 1 0 292.423 2.570 20 70 CFIDRO C[NH2+][C@H]1CCN(C(=O)/C=C/c2cc(Cl)ccc2Cl)C1 ZINC000160606419 378786225 /nfs/dbraw/zinc/78/62/25/378786225.db2.gz FFFSEMKIRFJHTM-PWFBRDGFSA-N 1 0 299.201 2.827 20 70 CFIDRO C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)C1 ZINC000160676635 378791381 /nfs/dbraw/zinc/79/13/81/378791381.db2.gz NZIURZZQIUNICW-RCCFBDPRSA-N 1 0 294.398 2.764 20 70 CFIDRO CC[C@@H](NC(=O)[C@H]1CC[C@H]([NH3+])C1)C(C)(C)c1ccccc1 ZINC000160761196 378797221 /nfs/dbraw/zinc/79/72/21/378797221.db2.gz SMWVATUGSWCXSS-CWRNSKLLSA-N 1 0 288.435 2.986 20 70 CFIDRO C[NH2+][C@@H]1CCN(C(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000160775799 378798340 /nfs/dbraw/zinc/79/83/40/378798340.db2.gz HBKNWPURVHEELJ-QGZVFWFLSA-N 1 0 280.371 2.788 20 70 CFIDRO CC[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccc(F)cc1 ZINC000160786829 378799044 /nfs/dbraw/zinc/79/90/44/378799044.db2.gz RXQDHBRNRVUCBN-NSHDSACASA-N 1 0 292.276 2.545 20 70 CFIDRO CC(C)(C)c1ccc(SCC(=O)N2CC[C@@H]([NH3+])C2)cc1 ZINC000160246816 378758758 /nfs/dbraw/zinc/75/87/58/378758758.db2.gz BTEXWTOIITWFDB-CYBMUJFWSA-N 1 0 292.448 2.636 20 70 CFIDRO C[C@H]1C[C@H]([NH2+]CCOc2cccc(Cl)c2)CCN1C ZINC000160251087 378758794 /nfs/dbraw/zinc/75/87/94/378758794.db2.gz IDSVQEDFPVHUIS-GXTWGEPZSA-N 1 0 282.815 2.791 20 70 CFIDRO C[C@H]1C[C@@H]([NH2+]CCOc2cccc(Cl)c2)CCN1C ZINC000160251346 378759117 /nfs/dbraw/zinc/75/91/17/378759117.db2.gz IDSVQEDFPVHUIS-JSGCOSHPSA-N 1 0 282.815 2.791 20 70 CFIDRO CCC(CC)(C[NH3+])C(=O)NC[C@@H]1CCCc2ccccc21 ZINC000161181016 378829486 /nfs/dbraw/zinc/82/94/86/378829486.db2.gz NFGISXVXQPIZKT-HNNXBMFYSA-N 1 0 288.435 2.988 20 70 CFIDRO CC(C)C1(CNC(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000160818994 378801824 /nfs/dbraw/zinc/80/18/24/378801824.db2.gz DYXCPGKMKJBJPT-UKRRQHHQSA-N 1 0 274.408 2.875 20 70 CFIDRO CC(C)[C@H](NC(=O)[C@@H](C)[NH3+])c1ccccc1Cl ZINC000160829509 378802814 /nfs/dbraw/zinc/80/28/14/378802814.db2.gz VHLDHUPSFIXELI-SKDRFNHKSA-N 1 0 254.761 2.501 20 70 CFIDRO Cc1cc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)ccc1OC(C)C ZINC000160903153 378807696 /nfs/dbraw/zinc/80/76/96/378807696.db2.gz GXWWLECUFNRQQP-STQMWFEESA-N 1 0 276.380 2.848 20 70 CFIDRO C[C@@H]1C[C@@H](Nc2cnccn2)C[N@@H+]1Cc1ccccc1 ZINC000160930711 378809527 /nfs/dbraw/zinc/80/95/27/378809527.db2.gz MSQYLGMPNVDXRE-UKRRQHHQSA-N 1 0 268.364 2.552 20 70 CFIDRO CC[C@@H]([NH2+][C@H]1CCN(C(C)C)C1=O)c1ccc(F)cc1 ZINC000160928788 378810174 /nfs/dbraw/zinc/81/01/74/378810174.db2.gz YPAJHDWTYKZUIT-CABCVRRESA-N 1 0 278.371 2.876 20 70 CFIDRO C[C@@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)C(C)(C)C ZINC000160951928 378811315 /nfs/dbraw/zinc/81/13/15/378811315.db2.gz GYPNFELFDWCALJ-GFCCVEGCSA-N 1 0 283.437 2.755 20 70 CFIDRO CC[C@H]([NH2+][C@H]1CCCCNC1=O)c1ccc(F)cc1F ZINC000160998042 378815190 /nfs/dbraw/zinc/81/51/90/378815190.db2.gz DSKIFRUUDRMCHI-KBPBESRZSA-N 1 0 282.334 2.674 20 70 CFIDRO CC(C)c1ccc(C(=O)NCC(C)(C)C[NH+](C)C)cn1 ZINC000161086769 378820025 /nfs/dbraw/zinc/82/00/25/378820025.db2.gz QMSIRCOLXOOUHV-UHFFFAOYSA-N 1 0 277.412 2.523 20 70 CFIDRO COCC[C@H](C)[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000161146526 378826713 /nfs/dbraw/zinc/82/67/13/378826713.db2.gz ATMWVINNXLKSHG-SJCJKPOMSA-N 1 0 291.391 2.924 20 70 CFIDRO C[C@H]([NH2+]CCCc1nnc2n1CCCCC2)c1ccco1 ZINC000161169675 378827662 /nfs/dbraw/zinc/82/76/62/378827662.db2.gz ZIFMPBDJPRIIRZ-ZDUSSCGKSA-N 1 0 288.395 2.881 20 70 CFIDRO C[C@@H](CNC(=O)CCCCCC[NH3+])Oc1ccccc1F ZINC000161158956 378828302 /nfs/dbraw/zinc/82/83/02/378828302.db2.gz IJYLGFOUQWYIST-ZDUSSCGKSA-N 1 0 296.386 2.618 20 70 CFIDRO CCC(CC)(C[NH3+])C(=O)NCc1ccccc1OC(C)C ZINC000161171604 378828319 /nfs/dbraw/zinc/82/83/19/378828319.db2.gz URNVTBWVWKFGDE-UHFFFAOYSA-N 1 0 292.423 2.855 20 70 CFIDRO CC[NH+](CC)[C@H](CNC(=O)C[C@@H](C)SC)c1ccco1 ZINC000161387751 378842932 /nfs/dbraw/zinc/84/29/32/378842932.db2.gz QAZGGRDPMLKXGH-CHWSQXEVSA-N 1 0 298.452 2.920 20 70 CFIDRO C[C@@H](c1cccnc1)N(C)CCC[NH+]1CCCCC1 ZINC000161460527 378849985 /nfs/dbraw/zinc/84/99/85/378849985.db2.gz ZFVHJMMUQGOIDB-HNNXBMFYSA-N 1 0 261.413 2.950 20 70 CFIDRO CC[C@H](COC)[NH2+]C[C@H](C)COCc1ccccc1 ZINC000161310779 378837562 /nfs/dbraw/zinc/83/75/62/378837562.db2.gz OBMARFSISPPUMQ-GOEBONIOSA-N 1 0 265.397 2.854 20 70 CFIDRO CCCN(CC[NH+](C)C)C(=O)c1cc(CC)c(CC)o1 ZINC000159394220 322322135 /nfs/dbraw/zinc/32/21/35/322322135.db2.gz FQFXWKKVKVMBNP-UHFFFAOYSA-N 1 0 280.412 2.818 20 70 CFIDRO O=C(Nc1ccccc1C(F)(F)F)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000216652018 382784429 /nfs/dbraw/zinc/78/44/29/382784429.db2.gz KGJSROQEOSHGTB-SKDRFNHKSA-N 1 0 299.296 2.531 20 70 CFIDRO CSC[C@@](C)(O)C[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000217840999 382787849 /nfs/dbraw/zinc/78/78/49/382787849.db2.gz ZTIUEHPPZFVNOP-INIZCTEOSA-N 1 0 295.448 2.604 20 70 CFIDRO CSC[C@](C)(O)C[NH2+]Cc1ccccc1OC(C)C ZINC000217847362 382787996 /nfs/dbraw/zinc/78/79/96/382787996.db2.gz HSIZSDCIUOROHI-OAHLLOKOSA-N 1 0 283.437 2.677 20 70 CFIDRO C[C@@H]1CCN(C(=O)C[C@@H]2CCC[NH2+]2)[C@@H]2CCCC[C@@H]12 ZINC000217957105 382788349 /nfs/dbraw/zinc/78/83/49/382788349.db2.gz QIDSNEQSMBUOGU-CBBWQLFWSA-N 1 0 264.413 2.556 20 70 CFIDRO C[NH2+][C@H]1CCN(C(=O)CCCC2CCCCC2)C1 ZINC000160642632 533031064 /nfs/dbraw/zinc/03/10/64/533031064.db2.gz LJOSWMZIDJDFPO-AWEZNQCLSA-N 1 0 252.402 2.557 20 70 CFIDRO CCOC[C@H](O)C[N@@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000217183661 393756871 /nfs/dbraw/zinc/75/68/71/393756871.db2.gz AOJXQACARYBMNC-IAGOWNOFSA-N 1 0 277.408 2.654 20 70 CFIDRO COC(=O)CCC[N@H+](CC1CCCCC1)C1CC1 ZINC000217223656 393757152 /nfs/dbraw/zinc/75/71/52/393757152.db2.gz KZZBUHIGJTXJHO-UHFFFAOYSA-N 1 0 253.386 2.984 20 70 CFIDRO CC(C)c1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000159590217 394365781 /nfs/dbraw/zinc/36/57/81/394365781.db2.gz QIDDBNAHKFROLW-IYBDPMFKSA-N 1 0 272.392 2.777 20 70 CFIDRO CC[C@H](C(=O)N[C@H]1CCSc2c(F)cccc21)[NH+](C)C ZINC000160097662 394366047 /nfs/dbraw/zinc/36/60/47/394366047.db2.gz ABBFACKOQWJTPW-QWHCGFSZSA-N 1 0 296.411 2.819 20 70 CFIDRO C[C@H](N[C@@H]1CCC[N@@H+](C2CCCCC2)C1)c1cnccn1 ZINC000160068643 394366065 /nfs/dbraw/zinc/36/60/65/394366065.db2.gz GVIZRONYJSYLBA-LSDHHAIUSA-N 1 0 288.439 2.924 20 70 CFIDRO CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000160344965 394366361 /nfs/dbraw/zinc/36/63/61/394366361.db2.gz QTJYJCOCLKCQCT-NJZAAPMLSA-N 1 0 290.407 2.778 20 70 CFIDRO CC[C@H]([NH2+][C@H]1CCc2nc(C)nn2C1)c1ccc(C)cc1 ZINC000160333502 394366556 /nfs/dbraw/zinc/36/65/56/394366556.db2.gz CRBKIAJGSUKAKZ-HOTGVXAUSA-N 1 0 284.407 2.951 20 70 CFIDRO C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000161097943 394367235 /nfs/dbraw/zinc/36/72/35/394367235.db2.gz RHFUAWCNLNCULX-HSMVNMDESA-N 1 0 290.382 2.565 20 70 CFIDRO CC[C@@H](COC)[NH2+][C@@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC000159612178 286851090 /nfs/dbraw/zinc/85/10/90/286851090.db2.gz HRABSWQEOAQVOY-JSGCOSHPSA-N 1 0 299.436 2.556 20 70 CFIDRO C[C@@H]([NH3+])C(=O)NCC1(Sc2ccccc2)CCCC1 ZINC000159674235 286906554 /nfs/dbraw/zinc/90/65/54/286906554.db2.gz LREXMWCVLWZTFG-GFCCVEGCSA-N 1 0 278.421 2.555 20 70 CFIDRO Cc1cccc([C@@H](C)C(=O)NCC2([NH3+])CCCCC2)c1 ZINC000159477352 292576540 /nfs/dbraw/zinc/57/65/40/292576540.db2.gz YHNOMKCIQINRQG-CQSZACIVSA-N 1 0 274.408 2.876 20 70 CFIDRO CC(C)C[C@H]1CCCCN1C(=O)C[C@@H]1CCC[NH2+]1 ZINC000160876138 275599146 /nfs/dbraw/zinc/59/91/46/275599146.db2.gz NJHVGIWKIBRFBG-UONOGXRCSA-N 1 0 252.402 2.556 20 70 CFIDRO CCC[C@@H](C)[C@@H](CC)[NH2+][C@@H]1CCc2nc(C)nn2C1 ZINC000160468862 276269818 /nfs/dbraw/zinc/26/98/18/276269818.db2.gz UMEGXYUYRPPMQN-MRVWCRGKSA-N 1 0 264.417 2.706 20 70 CFIDRO CC[C@@H]([NH2+][C@H]1CCc2nc(C)nn2C1)C1CCCCC1 ZINC000160561140 276441959 /nfs/dbraw/zinc/44/19/59/276441959.db2.gz GZLMQGINRIYBSS-LSDHHAIUSA-N 1 0 276.428 2.850 20 70 CFIDRO CC[C@@H](Cc1ccccc1)N(C)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000161107527 276528149 /nfs/dbraw/zinc/52/81/49/276528149.db2.gz RQNYFCTXPRRQSX-HOTGVXAUSA-N 1 0 274.408 2.608 20 70 CFIDRO CC(=O)Nc1ccc(C[NH2+][C@H]2CCOC(C)(C)C2)cc1 ZINC000160571723 277076153 /nfs/dbraw/zinc/07/61/53/277076153.db2.gz WGUJFBWYTJTVKN-HNNXBMFYSA-N 1 0 276.380 2.692 20 70 CFIDRO COc1ccc2c(c1)C[C@H]([NH2+][C@H](C)[C@@H]1CCOC1)CC2 ZINC000159563803 277967716 /nfs/dbraw/zinc/96/77/16/277967716.db2.gz XUSMWTUEUQXMME-XNRPHZJLSA-N 1 0 275.392 2.567 20 70 CFIDRO CC(C)C[C@@H]1CCCCCN1C(=O)[C@H]1CCC[NH2+]C1 ZINC000161298830 279016672 /nfs/dbraw/zinc/01/66/72/279016672.db2.gz SKSNOFATZIMHTA-GJZGRUSLSA-N 1 0 266.429 2.803 20 70 CFIDRO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CCCN1CCCC1=O ZINC000159505140 279021689 /nfs/dbraw/zinc/02/16/89/279021689.db2.gz TVMOSBLRVRJDQE-CXAGYDPISA-N 1 0 272.392 2.522 20 70 CFIDRO CCO[C@H](C(=O)NCC1([NH3+])CCCCC1)c1ccccc1 ZINC000159472920 279890508 /nfs/dbraw/zinc/89/05/08/279890508.db2.gz HYFIKXWCXMIAJM-HNNXBMFYSA-N 1 0 290.407 2.542 20 70 CFIDRO CC[C@@H](COC)[NH2+]C[C@H](C)N1CCc2sccc2C1 ZINC000159878546 280153250 /nfs/dbraw/zinc/15/32/50/280153250.db2.gz KMXBVUXRINMWAI-JSGCOSHPSA-N 1 0 282.453 2.509 20 70 CFIDRO C[C@]1(c2ccccc2)CCCN(C(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000160104991 280172432 /nfs/dbraw/zinc/17/24/32/280172432.db2.gz GASXAMSDLHFEPT-QAPCUYQASA-N 1 0 286.419 2.566 20 70 CFIDRO Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)[C@H](C)[NH3+])cc1 ZINC000161234082 280971100 /nfs/dbraw/zinc/97/11/00/280971100.db2.gz AURGJYPCEQUJAM-YDHLFZDLSA-N 1 0 260.381 2.642 20 70 CFIDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)s1 ZINC000160303375 280981417 /nfs/dbraw/zinc/98/14/17/280981417.db2.gz TWNOGJYLIZFOQH-JQWIXIFHSA-N 1 0 276.409 2.622 20 70 CFIDRO [NH3+]CC[C@@H]1CCCN(C(=O)C2C3CC4CC(C3)CC2C4)C1 ZINC000160201426 303386171 /nfs/dbraw/zinc/38/61/71/303386171.db2.gz XHSJRMGHMNBGOZ-CNSOWSRNSA-N 1 0 290.451 2.646 20 70 CFIDRO C[C@H](N[C@H](C(N)=O)c1ccccc1)c1cccc(F)c1F ZINC000159468889 322323179 /nfs/dbraw/zinc/32/31/79/322323179.db2.gz WARAQALRVKPGON-BONVTDFDSA-N 1 0 290.313 2.842 20 70 CFIDRO CC[C@H]([NH2+]C[C@@H](C)N1CCc2ccccc21)[C@@H]1CCOC1 ZINC000159932023 322330509 /nfs/dbraw/zinc/33/05/09/322330509.db2.gz JQARSRYYFURQFO-OIISXLGYSA-N 1 0 288.435 2.842 20 70 CFIDRO CC(C)C(=O)NCCC[NH2+][C@H]1CCCc2ccccc21 ZINC000159971540 322330883 /nfs/dbraw/zinc/33/08/83/322330883.db2.gz RZSXJQHDZOFDEL-INIZCTEOSA-N 1 0 274.408 2.816 20 70 CFIDRO CC(C)C(=O)NCCC[NH2+][C@H](C)c1cccc(F)c1 ZINC000159979420 322330968 /nfs/dbraw/zinc/33/09/68/322330968.db2.gz XXEVAOYAQXELIZ-GFCCVEGCSA-N 1 0 266.360 2.639 20 70 CFIDRO CSc1cc(C(=O)NCC[N@H+](C)C(C)C)ccc1F ZINC000160137942 322333485 /nfs/dbraw/zinc/33/34/85/322333485.db2.gz WJKAZVBRPIXOTH-UHFFFAOYSA-N 1 0 284.400 2.618 20 70 CFIDRO C[NH+]1CCC(Oc2ccc(NCc3ccncc3)cn2)CC1 ZINC000160154433 322333539 /nfs/dbraw/zinc/33/35/39/322333539.db2.gz PMAPOVQTDFMUKO-UHFFFAOYSA-N 1 0 298.390 2.562 20 70 CFIDRO C[C@@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1)c1ccco1 ZINC000160223368 322334821 /nfs/dbraw/zinc/33/48/21/322334821.db2.gz XKPGSONTIPYUOF-NXEZZACHSA-N 1 0 262.275 2.567 20 70 CFIDRO Cc1cccc([C@@H]2CCC[N@@H+]2CCOC[C@@H]2CCCO2)n1 ZINC000160240026 322335369 /nfs/dbraw/zinc/33/53/69/322335369.db2.gz ULPWJKREONYUKF-RDJZCZTQSA-N 1 0 290.407 2.723 20 70 CFIDRO COCC[C@@H](C)[NH2+]C[C@@H](C1CCCCC1)N(C)C ZINC000160416678 322338175 /nfs/dbraw/zinc/33/81/75/322338175.db2.gz GIOQXDXEBLQMIU-HIFRSBDPSA-N 1 0 256.434 2.512 20 70 CFIDRO C[C@@H]([C@H](C)[NH2+]CC(=O)NCC(F)(F)F)C1CCCCC1 ZINC000160571613 322339687 /nfs/dbraw/zinc/33/96/87/322339687.db2.gz MJIHUUDJGPUQGU-QWRGUYRKSA-N 1 0 294.361 2.859 20 70 CFIDRO CCC[NH+](CCC)CCCNC(=O)NC1(C)CCC1 ZINC000160662995 322341096 /nfs/dbraw/zinc/34/10/96/322341096.db2.gz NAJRVIMHASUHQB-UHFFFAOYSA-N 1 0 269.433 2.740 20 70 CFIDRO CCCC1(CNC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CCC1 ZINC000160710079 322341544 /nfs/dbraw/zinc/34/15/44/322341544.db2.gz HUGJADKMJYBDPE-AWEZNQCLSA-N 1 0 293.455 2.740 20 70 CFIDRO CC(C)S(=O)(=O)CCC[N@H+](C)[C@H]1CCCC[C@H]1C ZINC000160756184 322342498 /nfs/dbraw/zinc/34/24/98/322342498.db2.gz WCHGHBCJHXZRRT-KGLIPLIRSA-N 1 0 275.458 2.710 20 70 CFIDRO CC[NH+](CC)[C@@H]1CCN(Cc2c(C)nc3ccccn32)C1 ZINC000160876839 322344177 /nfs/dbraw/zinc/34/41/77/322344177.db2.gz QDFDEXDYRRBPFP-OAHLLOKOSA-N 1 0 286.423 2.559 20 70 CFIDRO CS[C@H](C)CC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000160896338 322344699 /nfs/dbraw/zinc/34/46/99/322344699.db2.gz RCCPKKNLYGDRRJ-QWHCGFSZSA-N 1 0 286.485 2.755 20 70 CFIDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCC2(C3CC3)CCC2)C1 ZINC000160907885 322344920 /nfs/dbraw/zinc/34/49/20/322344920.db2.gz HBPINHLWWJLLAF-GJZGRUSLSA-N 1 0 293.455 2.739 20 70 CFIDRO CC(C)C[C@H](C)NC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000160904974 322344962 /nfs/dbraw/zinc/34/49/62/322344962.db2.gz QEFNDLCZDCSWRR-IHRRRGAJSA-N 1 0 269.433 2.593 20 70 CFIDRO CC(C)NC(=O)C[NH2+][C@H](C)[C@@H](C)C1CCCCC1 ZINC000160953010 322345557 /nfs/dbraw/zinc/34/55/57/322345557.db2.gz CGXSVNWUPMCZDT-CHWSQXEVSA-N 1 0 254.418 2.706 20 70 CFIDRO CCc1cc(=O)[nH]c(C[N@@H+]2CCC[C@H]2C2CCCC2)n1 ZINC000160969050 322345578 /nfs/dbraw/zinc/34/55/78/322345578.db2.gz LNKFTLZKAQDAPH-AWEZNQCLSA-N 1 0 275.396 2.899 20 70 CFIDRO CCN(C(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C)C(C)C ZINC000160985506 322346133 /nfs/dbraw/zinc/34/61/33/322346133.db2.gz DGIQKDRBHYQMDP-OAHLLOKOSA-N 1 0 283.460 2.937 20 70 CFIDRO CC1(C)C[C@H]([NH2+]CCc2ccc3c(c2)OCO3)C(C)(C)O1 ZINC000161146170 322348015 /nfs/dbraw/zinc/34/80/15/322348015.db2.gz DJCHAJZUVKAHAD-HNNXBMFYSA-N 1 0 291.391 2.894 20 70 CFIDRO COC[C@H](C)[NH2+][C@H](CNC(=O)OC(C)(C)C)CC(C)C ZINC000161263883 322349491 /nfs/dbraw/zinc/34/94/91/322349491.db2.gz NLIKNXJEMUFBLL-STQMWFEESA-N 1 0 288.432 2.550 20 70 CFIDRO Cc1ccc2cc(C(=O)NCC3CC[NH+](C)CC3)ccc2n1 ZINC000161291163 322349847 /nfs/dbraw/zinc/34/98/47/322349847.db2.gz YZMKBNNJFRQEIW-UHFFFAOYSA-N 1 0 297.402 2.615 20 70 CFIDRO CC[C@@H]1CCCC[C@H]1[NH2+]C1CCC(NC(C)=O)CC1 ZINC000161421730 322351319 /nfs/dbraw/zinc/35/13/19/322351319.db2.gz LDEYWDGHBRYSOG-PRLABOORSA-N 1 0 266.429 2.992 20 70 CFIDRO COC[C@@H]([NH2+][C@H](CCCO)c1ccccc1)C(C)C ZINC000160849663 522379883 /nfs/dbraw/zinc/37/98/83/522379883.db2.gz CSNSQXFYAGECPS-HZPDHXFCSA-N 1 0 265.397 2.761 20 70 CFIDRO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000217953523 519825640 /nfs/dbraw/zinc/82/56/40/519825640.db2.gz LDPRGHNKUKMKTC-BARDWOONSA-N 1 0 266.429 2.706 20 70 CFIDRO CCN(C)C(=O)C[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000217383007 520173703 /nfs/dbraw/zinc/17/37/03/520173703.db2.gz FKSSXDHMEPJABD-UHFFFAOYSA-N 1 0 280.799 2.654 20 70 CFIDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cnc3ccccn23)C1(C)C ZINC000160570030 520344413 /nfs/dbraw/zinc/34/44/13/520344413.db2.gz AGFVRXUSVUMGFY-HUUCEWRRSA-N 1 0 287.407 2.970 20 70 CFIDRO CCCOc1cccc(C(=O)NCC2([NH3+])CCCCC2)c1 ZINC000159701974 520442032 /nfs/dbraw/zinc/44/20/32/520442032.db2.gz CANCNRYQMCBENQ-UHFFFAOYSA-N 1 0 290.407 2.867 20 70 CFIDRO CCC[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000159844121 520976137 /nfs/dbraw/zinc/97/61/37/520976137.db2.gz PYVNJFMZMIARID-BBWFWOEESA-N 1 0 286.419 2.923 20 70 CFIDRO CCC[C@H](C)CC(=O)N1CCC[N@H+](CCC)CC1 ZINC000160370693 521010129 /nfs/dbraw/zinc/01/01/29/521010129.db2.gz LKWVBPMUKIEZEJ-AWEZNQCLSA-N 1 0 254.418 2.757 20 70 CFIDRO CCCN(CC)CC[NH2+]Cc1cc(C)c(O)c(C)c1 ZINC000217633760 521608837 /nfs/dbraw/zinc/60/88/37/521608837.db2.gz OWOWAJHSGSRNLB-UHFFFAOYSA-N 1 0 264.413 2.831 20 70 CFIDRO CCC([NH3+])(CC)CNC(=O)C[C@H]1CCOc2ccccc21 ZINC000160423917 521649610 /nfs/dbraw/zinc/64/96/10/521649610.db2.gz FTDCSOSFELBLNA-CYBMUJFWSA-N 1 0 290.407 2.577 20 70 CFIDRO CCOCCC[N@H+](CC(=O)Nc1ccc(F)cc1)C(C)C ZINC000160575716 521704809 /nfs/dbraw/zinc/70/48/09/521704809.db2.gz PHLJXCFDCQWYDI-UHFFFAOYSA-N 1 0 296.386 2.901 20 70 CFIDRO CCOCCCN1CC[NH+](CC2CCCCC2)CC1 ZINC000159702434 521707032 /nfs/dbraw/zinc/70/70/32/521707032.db2.gz UCMCLFKJHHWKBN-UHFFFAOYSA-N 1 0 268.445 2.611 20 70 CFIDRO CCSCC[C@H](C)NC(=O)c1ccccc1CC[NH2+]C ZINC000160209531 521716408 /nfs/dbraw/zinc/71/64/08/521716408.db2.gz YMPQLKWULIQVEZ-ZDUSSCGKSA-N 1 0 294.464 2.710 20 70 CFIDRO CC[C@H](C)OCC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000160031128 521748786 /nfs/dbraw/zinc/74/87/86/521748786.db2.gz SXXJNWYKECZOAW-AWEZNQCLSA-N 1 0 296.455 2.715 20 70 CFIDRO CC[C@H](C)c1cc(C(=O)NCC[NH+]2CCC(C)CC2)on1 ZINC000160554853 522028993 /nfs/dbraw/zinc/02/89/93/522028993.db2.gz XBQGFTFWIZDWMU-ZDUSSCGKSA-N 1 0 293.411 2.650 20 70 CFIDRO CC[C@@H](C)[N@H+](C)CCNCc1c[nH]nc1-c1ccc(C)o1 ZINC000217395316 522060581 /nfs/dbraw/zinc/06/05/81/522060581.db2.gz NMHGNQTUIJFEBA-GFCCVEGCSA-N 1 0 290.411 2.798 20 70 CFIDRO COC[C@@H]([NH2+]C[C@H](C1CCCCC1)N(C)C)C(C)C ZINC000160413276 522358648 /nfs/dbraw/zinc/35/86/48/522358648.db2.gz DZPWRRXTOWTJCS-HZPDHXFCSA-N 1 0 270.461 2.758 20 70 CFIDRO COC[C@@H]([NH2+]C[C@H](C)N1CCc2ccccc2C1)C(C)C ZINC000159827047 522358929 /nfs/dbraw/zinc/35/89/29/522358929.db2.gz HNEVJNZEQUGBEJ-MAUKXSAKSA-N 1 0 290.451 2.694 20 70 CFIDRO CC[C@H](NC(=O)C[C@@H]1CCC[NH2+]1)c1ccc(F)cc1F ZINC000159730939 522395746 /nfs/dbraw/zinc/39/57/46/522395746.db2.gz WASTTWYBFCEUFP-FZMZJTMJSA-N 1 0 282.334 2.674 20 70 CFIDRO CC[C@H](NC(=O)C[C@H]1CCC[NH2+]1)c1ccc(F)cc1F ZINC000159731219 522400267 /nfs/dbraw/zinc/40/02/67/522400267.db2.gz WASTTWYBFCEUFP-RISCZKNCSA-N 1 0 282.334 2.674 20 70 CFIDRO CC[C@@H](COC)[NH2+]CC(C)(C)N1CCC[C@H](CC)C1 ZINC000161023310 522592504 /nfs/dbraw/zinc/59/25/04/522592504.db2.gz HSHIEULLHFUUMY-GJZGRUSLSA-N 1 0 270.461 2.902 20 70 CFIDRO CC[C@@H](COC)[NH2+][C@H]1CCCN(C2CCCCC2)C1 ZINC000160106401 522597705 /nfs/dbraw/zinc/59/77/05/522597705.db2.gz KCPBCUICJRFMTK-GJZGRUSLSA-N 1 0 268.445 2.798 20 70 CFIDRO COc1cc([C@H](C)[NH2+][C@@H](C)[C@@H](CO)SC)ccc1F ZINC000218255740 522945089 /nfs/dbraw/zinc/94/50/89/522945089.db2.gz LQVLGZYOUZKQLL-PKFCDNJMSA-N 1 0 287.400 2.597 20 70 CFIDRO CCn1cc([C@H](C)[NH2+]C[C@@](C)(O)CCC(C)C)cn1 ZINC000159392421 523471555 /nfs/dbraw/zinc/47/15/55/523471555.db2.gz ZLHJWMYZNFIFFC-ZFWWWQNUSA-N 1 0 267.417 2.741 20 70 CFIDRO CC[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000160385623 523768655 /nfs/dbraw/zinc/76/86/55/523768655.db2.gz XAQQSEILSGQCQG-XHSDSOJGSA-N 1 0 272.392 2.533 20 70 CFIDRO CN(C(=O)CCCC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161350898 523799135 /nfs/dbraw/zinc/79/91/35/523799135.db2.gz SINBYFVQQBWBAE-PBWFPOADSA-N 1 0 266.429 2.944 20 70 CFIDRO C[N@@H+]1CCC[C@@H]2CN(c3nc(C(C)(C)C)ns3)CC[C@@H]21 ZINC000159998707 523832775 /nfs/dbraw/zinc/83/27/75/523832775.db2.gz BHDMMAAFNSVCRH-NEPJUHHUSA-N 1 0 294.468 2.756 20 70 CFIDRO CCc1ccc(CCC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000160094709 523914427 /nfs/dbraw/zinc/91/44/27/523914427.db2.gz IPKDLQIXXSJEJZ-CALCHBBNSA-N 1 0 286.419 2.535 20 70 CFIDRO Cc1ccc(C)c([C@@H](C)[NH2+]CCNC(=O)c2ccco2)c1 ZINC000160712214 524203429 /nfs/dbraw/zinc/20/34/29/524203429.db2.gz SYVZSYZYCGUMBI-CQSZACIVSA-N 1 0 286.375 2.977 20 70 CFIDRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cnc(C(C)(C)C)s1 ZINC000159646029 524341621 /nfs/dbraw/zinc/34/16/21/524341621.db2.gz ILNOCXCICGYIEH-WDEREUQCSA-N 1 0 295.452 2.526 20 70 CFIDRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cc2ccccc2s1 ZINC000159551170 524645997 /nfs/dbraw/zinc/64/59/97/524645997.db2.gz AVZDQJQPAXSBRC-YPMHNXCESA-N 1 0 288.416 2.987 20 70 CFIDRO C[C@@H](C[NH2+][C@@H](C)C1CCOCC1)N1CCc2ccccc21 ZINC000159939867 524748250 /nfs/dbraw/zinc/74/82/50/524748250.db2.gz QZYWARSMORDAOR-GJZGRUSLSA-N 1 0 288.435 2.842 20 70 CFIDRO COc1ccc(OC)c(CC[NH2+][C@@H](C)C2CCOCC2)c1 ZINC000161440195 524822640 /nfs/dbraw/zinc/82/26/40/524822640.db2.gz JAWRONASXUWSSM-ZDUSSCGKSA-N 1 0 293.407 2.651 20 70 CFIDRO COc1ccc([C@H](C)[N@H+](C)CCn2ccnc2)cc1 ZINC000161354836 525299148 /nfs/dbraw/zinc/29/91/48/525299148.db2.gz STCWIBWXQHEQAQ-ZDUSSCGKSA-N 1 0 259.353 2.585 20 70 CFIDRO COc1ccc([C@H](C)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000217682377 525330882 /nfs/dbraw/zinc/33/08/82/525330882.db2.gz GQYPIUBPCBWKER-XKQJLSEDSA-N 1 0 274.408 2.973 20 70 CFIDRO Cc1ccccc1[C@H](C)CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160615215 525401216 /nfs/dbraw/zinc/40/12/16/525401216.db2.gz QRPMCSOGPJSJLG-OAGGEKHMSA-N 1 0 286.419 2.842 20 70 CFIDRO C[C@@H]([NH2+]CCN(C)Cc1ccc(F)cc1)C1CCOCC1 ZINC000160147807 525446123 /nfs/dbraw/zinc/44/61/23/525446123.db2.gz ISNVSBLUOSNTKC-CQSZACIVSA-N 1 0 294.414 2.662 20 70 CFIDRO C[C@@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1cccnc1 ZINC000159794160 525549314 /nfs/dbraw/zinc/54/93/14/525549314.db2.gz FOYBZPXJAAPEDP-SECBINFHSA-N 1 0 284.285 2.685 20 70 CFIDRO CSC[C@H](CCO)[NH2+][C@H](C)c1ccc(F)cc1 ZINC000160355788 525698697 /nfs/dbraw/zinc/69/86/97/525698697.db2.gz ZWYXWWXPYOJYKD-MFKMUULPSA-N 1 0 257.374 2.590 20 70 CFIDRO CSC[C@H](CCO)[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000160153991 525701642 /nfs/dbraw/zinc/70/16/42/525701642.db2.gz NUJQIVGMGSUYQN-JSGCOSHPSA-N 1 0 269.385 2.517 20 70 CFIDRO C[C@H](Sc1ccc(Cl)cc1)C(=O)NCC(C)(C)[NH3+] ZINC000159953761 525987671 /nfs/dbraw/zinc/98/76/71/525987671.db2.gz FXFJMTIVTSWSGQ-VIFPVBQESA-N 1 0 286.828 2.674 20 70 CFIDRO Cc1cc(C(=O)N2CCC[N@@H+](C)CC2)c(Cl)cc1F ZINC000161269177 526244339 /nfs/dbraw/zinc/24/43/39/526244339.db2.gz OEWYZPBKVDJARU-UHFFFAOYSA-N 1 0 284.762 2.565 20 70 CFIDRO Cc1nc(-c2cc([C@@H](C)[NH2+]CCO)cs2)cs1 ZINC000159695735 526562401 /nfs/dbraw/zinc/56/24/01/526562401.db2.gz LHSNWLQHTBAJLQ-MRVPVSSYSA-N 1 0 268.407 2.823 20 70 CFIDRO CC(C)(C)c1ncc(C(=O)NCC2([NH3+])CCCCC2)s1 ZINC000159761783 526877877 /nfs/dbraw/zinc/87/78/77/526877877.db2.gz FFHUVFPMJDVRFV-UHFFFAOYSA-N 1 0 295.452 2.832 20 70 CFIDRO CC(=O)c1cnc(NC(=O)[C@H]2CCCCCC[C@H]2[NH3+])s1 ZINC000159507954 527421536 /nfs/dbraw/zinc/42/15/36/527421536.db2.gz GUCMLASRIRMCHI-WDEREUQCSA-N 1 0 295.408 2.582 20 70 CFIDRO CCCC(O)(CCC)CC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000161407630 528002954 /nfs/dbraw/zinc/00/29/54/528002954.db2.gz QGCBDBFQNBAIIW-UHFFFAOYSA-N 1 0 298.471 2.508 20 70 CFIDRO CC(C)[C@@H](CC1CCCC1)C(=O)N1CCC[NH2+]CC1 ZINC000160843583 528429700 /nfs/dbraw/zinc/42/97/00/528429700.db2.gz ACTNBTMPOJEZTJ-OAHLLOKOSA-N 1 0 266.429 2.661 20 70 CFIDRO CC[C@H]1CCC[C@@H]1NC(=O)N(CC[NH+](C)C)C(C)C ZINC000159596649 529227860 /nfs/dbraw/zinc/22/78/60/529227860.db2.gz QJDQYFWSHDUCDD-KBPBESRZSA-N 1 0 269.433 2.547 20 70 CFIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1)CC2 ZINC000160456500 282117398 /nfs/dbraw/zinc/11/73/98/282117398.db2.gz CIIWJYHUSVXHPK-XPTSAGLGSA-N 1 0 292.333 2.530 20 70 CFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H]1CCCc3sccc31)CC2 ZINC000160493354 282127922 /nfs/dbraw/zinc/12/79/22/282127922.db2.gz PUEWRNHZNFWYFO-YPMHNXCESA-N 1 0 288.420 2.630 20 70 CFIDRO CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@@H](C)Oc1ccc(Cl)cc1 ZINC000161137662 529417174 /nfs/dbraw/zinc/41/71/74/529417174.db2.gz HQFOUCDKZNGQQU-GYSYKLTISA-N 1 0 298.814 2.597 20 70 CFIDRO CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)C[NH+](C)C ZINC000159482437 529539279 /nfs/dbraw/zinc/53/92/79/529539279.db2.gz DTHYBSAPJMONIM-INIZCTEOSA-N 1 0 276.424 2.726 20 70 CFIDRO CCc1ccccc1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000160812428 529565226 /nfs/dbraw/zinc/56/52/26/529565226.db2.gz RPXZQZQWSXQQIS-UHFFFAOYSA-N 1 0 286.419 2.949 20 70 CFIDRO CCc1cc(=O)[nH]c(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)n1 ZINC000160583879 529565926 /nfs/dbraw/zinc/56/59/26/529565926.db2.gz JXCGOQWREGNEEW-JSGCOSHPSA-N 1 0 275.396 2.899 20 70 CFIDRO C[N@H+](CCOCC1CC1)CCOc1cccc(F)c1 ZINC000159390598 529922323 /nfs/dbraw/zinc/92/23/23/529922323.db2.gz INEBLENVCFQWLC-UHFFFAOYSA-N 1 0 267.344 2.563 20 70 CFIDRO CCCCO[C@H]1C[C@H]([NH2+][C@@H]2CCCOC2)C1(C)C ZINC000159793943 348014365 /nfs/dbraw/zinc/01/43/65/348014365.db2.gz FULHTCXHWQRVPG-RDBSUJKOSA-N 1 0 255.402 2.739 20 70 CFIDRO COc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H](CCO)CSC ZINC000160361124 348016849 /nfs/dbraw/zinc/01/68/49/348016849.db2.gz PTOLCWQEXOMFOW-XJKSGUPXSA-N 1 0 295.448 2.776 20 70 CFIDRO CC(C)CC1(CNC(=O)CC[NH2+]C(C)C)CCC1 ZINC000160671703 348019908 /nfs/dbraw/zinc/01/99/08/348019908.db2.gz QGMDCNMCEJCPPW-UHFFFAOYSA-N 1 0 254.418 2.707 20 70 CFIDRO CCN(C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)[C@H](C)C(C)C ZINC000160758507 348020432 /nfs/dbraw/zinc/02/04/32/348020432.db2.gz MPMATAHIOSAYOW-HIFRSBDPSA-N 1 0 281.444 2.547 20 70 CFIDRO CSCc1cc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)ccc1F ZINC000160806414 348021233 /nfs/dbraw/zinc/02/12/33/348021233.db2.gz ZGZMWLHIFPUFDO-STQMWFEESA-N 1 0 296.411 2.688 20 70 CFIDRO CC(C)(C)n1cc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cn1 ZINC000159465878 539825823 /nfs/dbraw/zinc/82/58/23/539825823.db2.gz FKGMFHRLDGKMHN-KFWWJZLASA-N 1 0 289.423 2.685 20 70 CFIDRO [NH3+]C1(CNC(=O)/C=C/c2ccc(F)cc2)CCCCC1 ZINC000159504727 188429381 /nfs/dbraw/zinc/42/93/81/188429381.db2.gz RYOPNIAKORLCKH-RMKNXTFCSA-N 1 0 276.355 2.617 20 70 CFIDRO CC(C)[C@H](CCc1ccc(Cl)cc1)[NH2+]CCO ZINC000159710443 188437872 /nfs/dbraw/zinc/43/78/72/188437872.db2.gz DKQRWEXAHCHRNR-AWEZNQCLSA-N 1 0 255.789 2.879 20 70 CFIDRO COc1cc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1F ZINC000160150628 188457336 /nfs/dbraw/zinc/45/73/36/188457336.db2.gz XUMBGPHWWSICNJ-CHWSQXEVSA-N 1 0 264.344 2.873 20 70 CFIDRO CCCc1ccc(C(=O)NCC([NH3+])(CC)CC)cc1 ZINC000160527349 188478188 /nfs/dbraw/zinc/47/81/88/188478188.db2.gz CEFQPPOAFVQXLY-UHFFFAOYSA-N 1 0 262.397 2.886 20 70 CFIDRO CCC([NH3+])(CC)CNC(=O)COc1ccc(Cl)cc1C ZINC000160408979 188470465 /nfs/dbraw/zinc/47/04/65/188470465.db2.gz BHQCSSOSGDQAKV-UHFFFAOYSA-N 1 0 298.814 2.661 20 70 CFIDRO C[NH2+]C[C@@H](C)C(=O)N1CCC[C@H]1c1cccc(C)c1C ZINC000160722256 188488177 /nfs/dbraw/zinc/48/81/77/188488177.db2.gz SXFYJTIDWSUZOH-CJNGLKHVSA-N 1 0 274.408 2.822 20 70 CFIDRO Cc1c(C[NH2+][C@@H](C)Cc2ccccc2F)cnn1C ZINC000160755638 188489621 /nfs/dbraw/zinc/48/96/21/188489621.db2.gz ODJIXDITUNSDSV-NSHDSACASA-N 1 0 261.344 2.588 20 70 CFIDRO CNC(=O)C(C)(C)CNc1cc(C)[nH+]c2ccc(F)cc12 ZINC000161088030 188506801 /nfs/dbraw/zinc/50/68/01/188506801.db2.gz AHSHEDRRCZKABQ-UHFFFAOYSA-N 1 0 289.354 2.866 20 70 CFIDRO c1cc([C@H]2CN(CCC[NH+]3CCCCC3)CCO2)cs1 ZINC000161409554 188525266 /nfs/dbraw/zinc/52/52/66/188525266.db2.gz JYAURKUHHIRSRC-MRXNPFEDSA-N 1 0 294.464 2.997 20 70 CFIDRO CC(=O)NC1CCC([NH2+][C@H](C)Cc2ccccc2F)CC1 ZINC000161343422 188522927 /nfs/dbraw/zinc/52/29/27/188522927.db2.gz MHPXZLJXGQKFFN-UWTIGNOOSA-N 1 0 292.398 2.794 20 70 CFIDRO CC[NH+](CC)[C@@H](C)CNC(=O)c1cnc(C(C)C)s1 ZINC000161509832 188532384 /nfs/dbraw/zinc/53/23/84/188532384.db2.gz INHJSIXBYLUAFE-NSHDSACASA-N 1 0 283.441 2.727 20 70 CFIDRO Fc1cccc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000159598631 283013998 /nfs/dbraw/zinc/01/39/98/283013998.db2.gz RZNLICIQXPIXKV-KKUMJFAQSA-N 1 0 261.340 2.873 20 70 CFIDRO CCCC[C@@H](C[NH3+])NC(=O)c1cccn1Cc1ccccc1 ZINC000159788542 540663029 /nfs/dbraw/zinc/66/30/29/540663029.db2.gz TWWIKJQCJHFRRJ-INIZCTEOSA-N 1 0 299.418 2.784 20 70 CFIDRO Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000159881447 540663512 /nfs/dbraw/zinc/66/35/12/540663512.db2.gz VEUFTBSOTSCNEU-WTTBNOFXSA-N 1 0 286.419 2.827 20 70 CFIDRO CCCn1nccc1C[NH2+]Cc1cccc(OCC)c1 ZINC000160090679 540668472 /nfs/dbraw/zinc/66/84/72/540668472.db2.gz YCSRYWFORICDMK-UHFFFAOYSA-N 1 0 273.380 2.982 20 70 CFIDRO CCCn1nccc1C[NH2+]Cc1ccccc1COC ZINC000160092799 540668731 /nfs/dbraw/zinc/66/87/31/540668731.db2.gz RSMNKFIJYVYPTD-UHFFFAOYSA-N 1 0 273.380 2.729 20 70 CFIDRO CCc1ccc([C@H](C)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000160812615 540680748 /nfs/dbraw/zinc/68/07/48/540680748.db2.gz QQZOXAVIYCPBLE-VBNZEHGJSA-N 1 0 274.408 2.739 20 70 CFIDRO CCc1ccc(C(C)(C)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000161002797 540685759 /nfs/dbraw/zinc/68/57/59/540685759.db2.gz ARNKBEMORSAGLK-HOTGVXAUSA-N 1 0 288.435 2.913 20 70 CFIDRO CCc1ccc(C(C)(C)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000161003032 540685996 /nfs/dbraw/zinc/68/59/96/540685996.db2.gz ARNKBEMORSAGLK-CVEARBPZSA-N 1 0 288.435 2.913 20 70 CFIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)CCCC2CCCC2)C1 ZINC000161224613 540690796 /nfs/dbraw/zinc/69/07/96/540690796.db2.gz UDBIJYLRTMLBJJ-UONOGXRCSA-N 1 0 252.402 2.733 20 70 CFIDRO O=C(NCC1CC[NH2+]CC1)c1cc2ccc(F)cc2s1 ZINC000161198721 540690912 /nfs/dbraw/zinc/69/09/12/540690912.db2.gz CWOFQXFTFPRVOK-UHFFFAOYSA-N 1 0 292.379 2.770 20 70 CFIDRO Cc1ccc(-c2cc(C(=O)N[C@H]3CCC[C@H]([NH3+])C3)on2)cc1 ZINC000161506552 540694104 /nfs/dbraw/zinc/69/41/04/540694104.db2.gz SKJNALHEHHAHOH-KBPBESRZSA-N 1 0 299.374 2.650 20 70 CFIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2cc3cccc(F)c3o2)C1 ZINC000161444979 540693449 /nfs/dbraw/zinc/69/34/49/540693449.db2.gz IBEIRQRGUFUODV-GHMZBOCLSA-N 1 0 276.311 2.572 20 70 CFIDRO CCC[C@@H]([NH2+]CC(C)(C)O)c1ccc(OC)cc1 ZINC000160595902 283560387 /nfs/dbraw/zinc/56/03/87/283560387.db2.gz KULZSVKNMHBZAW-CQSZACIVSA-N 1 0 251.370 2.897 20 70 CFIDRO Cc1nccc(NC(=O)N(CC[NH+](C)C)C(C)C)c1Cl ZINC000159949432 541018807 /nfs/dbraw/zinc/01/88/07/541018807.db2.gz IIHXZSHJJPLZMI-UHFFFAOYSA-N 1 0 298.818 2.847 20 70 CFIDRO C[C@@H](C(=O)NC1(c2ccc(F)cc2F)CCCC1)[NH+](C)C ZINC000161083588 541538591 /nfs/dbraw/zinc/53/85/91/541538591.db2.gz GYICZXOVCMTFMY-NSHDSACASA-N 1 0 296.361 2.800 20 70 CFIDRO C[C@H](C[NH2+][C@H](C)c1cnn(C)c1)N1CCc2ccccc21 ZINC000159921131 378739349 /nfs/dbraw/zinc/73/93/49/378739349.db2.gz OZFNHOQQWRUWDT-ZIAGYGMSSA-N 1 0 284.407 2.522 20 70 CFIDRO CCn1cc([C@@H](C)[NH2+]C[C@@](C)(O)c2ccsc2)cn1 ZINC000160024914 378743622 /nfs/dbraw/zinc/74/36/22/378743622.db2.gz ZYDONWLHXUXNNI-BXUZGUMPSA-N 1 0 279.409 2.523 20 70 CFIDRO [NH3+]CCCNC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000160016499 378743915 /nfs/dbraw/zinc/74/39/15/378743915.db2.gz ZIKLCCZRQCBYAQ-MNOVXSKESA-N 1 0 287.190 2.562 20 70 CFIDRO CCn1cc([C@@H](C)[NH2+]Cc2ccc(OC(C)C)nc2)cn1 ZINC000160035814 378745998 /nfs/dbraw/zinc/74/59/98/378745998.db2.gz VPKLIPCLHWVSNY-CYBMUJFWSA-N 1 0 288.395 2.936 20 70 CFIDRO CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@@H](C)COC ZINC000160072258 378747257 /nfs/dbraw/zinc/74/72/57/378747257.db2.gz RZQXLVJBTNWZTN-HNNXBMFYSA-N 1 0 291.439 2.655 20 70 CFIDRO COC[C@H]([NH2+][C@@H]1CCCN(C2CCCCC2)C1)C1CC1 ZINC000160121454 378750353 /nfs/dbraw/zinc/75/03/53/378750353.db2.gz NVWHWSQMLMYODF-WBVHZDCISA-N 1 0 280.456 2.798 20 70 CFIDRO CCCC[C@@H](COC)[NH2+]Cc1cccc(C(=O)NCC)c1 ZINC000160186248 378753768 /nfs/dbraw/zinc/75/37/68/378753768.db2.gz HJTAFKWXPVKFTG-INIZCTEOSA-N 1 0 292.423 2.731 20 70 CFIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)CCSc1ccccc1 ZINC000159456014 378710314 /nfs/dbraw/zinc/71/03/14/378710314.db2.gz IYCVFSJWIWCNCJ-QWHCGFSZSA-N 1 0 253.411 2.870 20 70 CFIDRO CC(C)C[C@H]([NH3+])C(=O)NCC(C)(C)Cc1ccccc1 ZINC000159489758 378712621 /nfs/dbraw/zinc/71/26/21/378712621.db2.gz PRVVZOWDEKVCPE-HNNXBMFYSA-N 1 0 276.424 2.745 20 70 CFIDRO C[C@H]1Cc2ccccc2[C@@H]1[NH2+]CCCN1CCCC1=O ZINC000159505300 378713424 /nfs/dbraw/zinc/71/34/24/378713424.db2.gz TVMOSBLRVRJDQE-SUMWQHHRSA-N 1 0 272.392 2.522 20 70 CFIDRO CC[N@@H+]1CCCN(C(=O)NCc2cccc(Cl)c2)CC1 ZINC000159510907 378714218 /nfs/dbraw/zinc/71/42/18/378714218.db2.gz ZCAYILLGUWKAOU-UHFFFAOYSA-N 1 0 295.814 2.577 20 70 CFIDRO CCOC(CC[NH2+]Cc1cccc(COC)c1)OCC ZINC000159537034 378715370 /nfs/dbraw/zinc/71/53/70/378715370.db2.gz YHALRFXDMCIHMB-UHFFFAOYSA-N 1 0 281.396 2.712 20 70 CFIDRO C[N@@H+](Cc1cc(-c2ccco2)on1)C[C@@H]1CCC[C@@H]1O ZINC000159570009 378717731 /nfs/dbraw/zinc/71/77/31/378717731.db2.gz ZKOADWUQNZCOCR-AAEUAGOBSA-N 1 0 276.336 2.527 20 70 CFIDRO COC[C@@H]([NH2+]CCOc1ccc(Cl)cc1)C1CC1 ZINC000159651161 378722995 /nfs/dbraw/zinc/72/29/95/378722995.db2.gz XECFWWWNSKKDET-CQSZACIVSA-N 1 0 269.772 2.733 20 70 CFIDRO Cc1cc(C)c(C[NH+]2CCC(CC(N)=O)CC2)cc1C ZINC000159714421 378726703 /nfs/dbraw/zinc/72/67/03/378726703.db2.gz CISNPQSKEDCUOD-UHFFFAOYSA-N 1 0 274.408 2.699 20 70 CFIDRO CSCC[C@@H]([NH3+])C(=O)N[C@H]1CCC[C@@H]1c1ccccc1 ZINC000159724497 378727937 /nfs/dbraw/zinc/72/79/37/378727937.db2.gz LDNIMBRCQPPYDU-KFWWJZLASA-N 1 0 292.448 2.519 20 70 CFIDRO COc1ccc(OC)c(C[N@H+](C)CCOCC2CC2)c1 ZINC000159764844 378728811 /nfs/dbraw/zinc/72/88/11/378728811.db2.gz OURMGFOGQMJCQR-UHFFFAOYSA-N 1 0 279.380 2.562 20 70 CFIDRO [NH3+]C[C@@H]1CCCN1C(=O)CSCc1ccc(Cl)cc1 ZINC000160273362 378760976 /nfs/dbraw/zinc/76/09/76/378760976.db2.gz CAUAUSSINMPTJZ-ZDUSSCGKSA-N 1 0 298.839 2.523 20 70 CFIDRO C[C@@H](Sc1ccccc1Cl)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000160351770 378765043 /nfs/dbraw/zinc/76/50/43/378765043.db2.gz ZHAVJDFJUGCRCE-GHMZBOCLSA-N 1 0 298.839 2.770 20 70 CFIDRO CN(Cc1ccnn1C)Cc1ccc(Br)cc1 ZINC000160801163 378799880 /nfs/dbraw/zinc/79/98/80/378799880.db2.gz TWMBHHMJCJOPLL-UHFFFAOYSA-N 1 0 294.196 2.815 20 70 CFIDRO CCSCC[N@H+](CC)Cc1ccc(C(=O)N(C)C)cc1 ZINC000160468463 378773795 /nfs/dbraw/zinc/77/37/95/378773795.db2.gz UCFDBCKFVHTORR-UHFFFAOYSA-N 1 0 294.464 2.963 20 70 CFIDRO CCC([NH3+])(CC)CNC(=O)c1ccccc1OCC1CC1 ZINC000160494445 378776267 /nfs/dbraw/zinc/77/62/67/378776267.db2.gz NUPRAGGSLKRQFV-UHFFFAOYSA-N 1 0 290.407 2.723 20 70 CFIDRO CS[C@H](C)CC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000160480827 378776324 /nfs/dbraw/zinc/77/63/24/378776324.db2.gz PMHJEEWGWXVNHL-RISCZKNCSA-N 1 0 298.427 2.686 20 70 CFIDRO CCc1ccc([C@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)s1 ZINC000160559708 378782081 /nfs/dbraw/zinc/78/20/81/378782081.db2.gz XGBVGMAGNYDWBC-JQWIXIFHSA-N 1 0 290.436 2.876 20 70 CFIDRO Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CC(C)(C)O ZINC000160600268 378784413 /nfs/dbraw/zinc/78/44/13/378784413.db2.gz UETPNLVHIMBUHD-SECBINFHSA-N 1 0 256.415 2.996 20 70 CFIDRO COC(C[N@H+](C)Cc1cccc(C(F)(F)F)c1)OC ZINC000160614447 378786114 /nfs/dbraw/zinc/78/61/14/378786114.db2.gz LAUDWWXLKPZLDI-UHFFFAOYSA-N 1 0 277.286 2.756 20 70 CFIDRO CC(C)(O)C[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000160630419 378786728 /nfs/dbraw/zinc/78/67/28/378786728.db2.gz SQONDVABWVDJGJ-CYBMUJFWSA-N 1 0 261.365 2.793 20 70 CFIDRO C[NH2+][C@H]1CCN(C(=O)c2sccc2-c2ccccc2)C1 ZINC000160651938 378789301 /nfs/dbraw/zinc/78/93/01/378789301.db2.gz ZLHHCYWOIDERDD-ZDUSSCGKSA-N 1 0 286.400 2.849 20 70 CFIDRO C[NH2+]C[C@@H](C)C(=O)N1CCC[C@@H]1c1cccc(C)c1C ZINC000160722394 378792985 /nfs/dbraw/zinc/79/29/85/378792985.db2.gz SXFYJTIDWSUZOH-CZUORRHYSA-N 1 0 274.408 2.822 20 70 CFIDRO C[C@@H](CN1CCCC1=O)[NH2+]Cc1ccc(Cl)cc1F ZINC000160780030 378797966 /nfs/dbraw/zinc/79/79/66/378797966.db2.gz GQZZQTOUYIZMQB-JTQLQIEISA-N 1 0 284.762 2.580 20 70 CFIDRO C[C@@H]1C[C@H]([NH2+]CCOc2cccc(Cl)c2)CCN1C ZINC000160250962 378759708 /nfs/dbraw/zinc/75/97/08/378759708.db2.gz IDSVQEDFPVHUIS-TZMCWYRMSA-N 1 0 282.815 2.791 20 70 CFIDRO CC[C@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1ccc(F)cc1F ZINC000161201491 378829632 /nfs/dbraw/zinc/82/96/32/378829632.db2.gz NEAPDGIMRFDDCU-FZMZJTMJSA-N 1 0 282.334 2.626 20 70 CFIDRO CCCc1cc(C(=O)N2CCC[C@@H]2C[NH2+]C)sc1C ZINC000161249787 378834421 /nfs/dbraw/zinc/83/44/21/378834421.db2.gz HAVFTKNYVARESB-CYBMUJFWSA-N 1 0 280.437 2.833 20 70 CFIDRO CC[C@H](COC)[NH2+][C@@H](CCCO)c1ccccc1 ZINC000160883617 378805804 /nfs/dbraw/zinc/80/58/04/378805804.db2.gz MLAJPVOYFWJPJU-CABCVRRESA-N 1 0 251.370 2.515 20 70 CFIDRO CSCC[C@H]([NH3+])C(=O)N[C@H](C)CCC1CCCCC1 ZINC000160916328 378810268 /nfs/dbraw/zinc/81/02/68/378810268.db2.gz IMIZHPGMFKFWRM-OCCSQVGLSA-N 1 0 286.485 2.932 20 70 CFIDRO COc1cc(CN(C)CCC[NH+]2CCCCC2)ccc1O ZINC000160924183 378810349 /nfs/dbraw/zinc/81/03/49/378810349.db2.gz WLOPJVLLEVLUPP-UHFFFAOYSA-N 1 0 292.423 2.709 20 70 CFIDRO C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000161047629 378817509 /nfs/dbraw/zinc/81/75/09/378817509.db2.gz TZOXYRDHWCTASB-BJJXKVORSA-N 1 0 290.382 2.735 20 70 CFIDRO Cc1ccc([C@@H](C)C[NH2+][C@@H](C(N)=O)c2ccccc2)cc1 ZINC000161051403 378818740 /nfs/dbraw/zinc/81/87/40/378818740.db2.gz XLARHNCQQOPUAI-WMLDXEAASA-N 1 0 282.387 2.915 20 70 CFIDRO COc1ccc(COCCC[NH2+][C@@H](C)[C@H]2CCOC2)cc1 ZINC000161068931 378819724 /nfs/dbraw/zinc/81/97/24/378819724.db2.gz JFMRVVNNKHUJKG-HOCLYGCPSA-N 1 0 293.407 2.617 20 70 CFIDRO Cc1cc[nH+]c(NC[C@@H]2CN(Cc3ccccc3)CCO2)c1 ZINC000161097916 378821217 /nfs/dbraw/zinc/82/12/17/378821217.db2.gz YNGCAQCFFQVFNU-QGZVFWFLSA-N 1 0 297.402 2.703 20 70 CFIDRO CC[C@H]([NH3+])C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000161130669 378824323 /nfs/dbraw/zinc/82/43/23/378824323.db2.gz QIFPZQMLVRQVOI-QMMMGPOBSA-N 1 0 292.326 2.859 20 70 CFIDRO C[C@@H](NC(=O)[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1Cl ZINC000161152511 378825617 /nfs/dbraw/zinc/82/56/17/378825617.db2.gz HWBOWIXSEYYDKB-NXEZZACHSA-N 1 0 284.762 2.656 20 70 CFIDRO C[N@H+](CCOc1ccc(Cl)cc1)CC1=CCCOC1 ZINC000161162917 378827270 /nfs/dbraw/zinc/82/72/70/378827270.db2.gz ZQIQGHJWQMJKNY-UHFFFAOYSA-N 1 0 281.783 2.997 20 70 CFIDRO CC(C)CCOc1ccc(NC(=O)C(C)(C)[NH3+])cc1 ZINC000161381221 378842619 /nfs/dbraw/zinc/84/26/19/378842619.db2.gz PCVPSZGBOLJBTH-UHFFFAOYSA-N 1 0 264.369 2.787 20 70 CFIDRO COc1ccc(Cl)cc1[C@@H](CC(C)C)NC(=O)[C@@H](C)[NH3+] ZINC000161415817 378845909 /nfs/dbraw/zinc/84/59/09/378845909.db2.gz NYBZDQCZHCIBOV-ZWNOBZJWSA-N 1 0 298.814 2.899 20 70 CFIDRO C[NH2+]C[C@H](C)C(=O)N(CC1CCC1)c1ccccc1 ZINC000161438237 378847762 /nfs/dbraw/zinc/84/77/62/378847762.db2.gz NVIJCZLJAVZCBD-ZDUSSCGKSA-N 1 0 260.381 2.675 20 70 CFIDRO CCc1ccccc1C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000161442711 378848274 /nfs/dbraw/zinc/84/82/74/378848274.db2.gz VCQIGULKILVSFG-CYBMUJFWSA-N 1 0 262.397 2.709 20 70 CFIDRO Cc1nccn1CCC[N@@H+](C)CCc1ccc(F)cc1 ZINC000161452223 378848421 /nfs/dbraw/zinc/84/84/21/378848421.db2.gz GZXGBGFROHGYJI-UHFFFAOYSA-N 1 0 275.371 2.895 20 70 CFIDRO COC[C@H](Cc1ccccc1)[NH2+]C[C@H](CO)c1ccccc1 ZINC000161497602 378850607 /nfs/dbraw/zinc/85/06/07/378850607.db2.gz QCJPNJWXLOBVHJ-MOPGFXCFSA-N 1 0 299.414 2.610 20 70 CFIDRO Cc1nc(Cl)ccc1C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000161491391 378851039 /nfs/dbraw/zinc/85/10/39/378851039.db2.gz IIAWEDPWXUIRFK-NEPJUHHUSA-N 1 0 295.814 2.646 20 70 CFIDRO CC(C)C[C@H]1CCCCCN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000161298748 378837497 /nfs/dbraw/zinc/83/74/97/378837497.db2.gz SKSNOFATZIMHTA-HUUCEWRRSA-N 1 0 266.429 2.803 20 70 CFIDRO CC(C)[NH2+]CCC(=O)NC(C)(C)c1cccc(F)c1 ZINC000161160993 322348098 /nfs/dbraw/zinc/34/80/98/322348098.db2.gz DRDMHWWSEQQPLQ-UHFFFAOYSA-N 1 0 266.360 2.565 20 70 CFIDRO CC[C@H](C)[N@H+](C)CCNCc1ccc(OC)c(F)c1 ZINC000217396336 382786107 /nfs/dbraw/zinc/78/61/07/382786107.db2.gz FZIXGLKLCFIGTO-LBPRGKRZSA-N 1 0 268.376 2.654 20 70 CFIDRO Fc1ccc(CN[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1F ZINC000217646493 382787625 /nfs/dbraw/zinc/78/76/25/382787625.db2.gz XANZZVOGYYUKGA-CABCVRRESA-N 1 0 266.335 2.681 20 70 CFIDRO CCC[N@H+](CC)CCNCc1ccc(O)c(OCC)c1 ZINC000217716922 382787752 /nfs/dbraw/zinc/78/77/52/382787752.db2.gz OPCPNXMDDNDETE-UHFFFAOYSA-N 1 0 280.412 2.612 20 70 CFIDRO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]C1CCN(C(N)=O)CC1 ZINC000218159687 382789342 /nfs/dbraw/zinc/78/93/42/382789342.db2.gz XTTBUKHZYMKGOZ-SNPRPXQTSA-N 1 0 281.444 2.580 20 70 CFIDRO CC[N@@H+]1CCCN(C(=O)N[C@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000159908946 285216200 /nfs/dbraw/zinc/21/62/00/285216200.db2.gz RKTGLLNPDOZQNJ-CVEARBPZSA-N 1 0 293.455 2.692 20 70 CFIDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc(Cl)ccc1O ZINC000217405397 393757042 /nfs/dbraw/zinc/75/70/42/393757042.db2.gz XZJZSHLUNYYUPC-SNVBAGLBSA-N 1 0 284.787 2.506 20 70 CFIDRO CC(C)([NH3+])C(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000160080749 394366014 /nfs/dbraw/zinc/36/60/14/394366014.db2.gz ODNYLAXOVFNWIR-SNVBAGLBSA-N 1 0 287.190 2.834 20 70 CFIDRO O=C(NCCc1cccc(-c2ccccc2)c1)[C@@H]1CCC[NH2+]1 ZINC000160516117 394366363 /nfs/dbraw/zinc/36/63/63/394366363.db2.gz DSKHRENDCQYFFO-SFHVURJKSA-N 1 0 294.398 2.764 20 70 CFIDRO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCc3[nH]c(=O)ccc32)C1 ZINC000160905432 287491544 /nfs/dbraw/zinc/49/15/44/287491544.db2.gz BOPGKKIWGOWWGQ-MBNYWOFBSA-N 1 0 260.381 2.921 20 70 CFIDRO CC(=O)NC1CCC([NH2+][C@@H]2CCCc3occc32)CC1 ZINC000161277119 275477677 /nfs/dbraw/zinc/47/76/77/275477677.db2.gz VOCKGSIZDOMQGA-SSDMNJCBSA-N 1 0 276.380 2.694 20 70 CFIDRO CC[C@H](C)[NH2+][C@H](CN1CCCC1=O)c1ccccc1 ZINC000160739129 276618478 /nfs/dbraw/zinc/61/84/78/276618478.db2.gz RRHQBVMUSFUEMP-DZGCQCFKSA-N 1 0 260.381 2.738 20 70 CFIDRO C[C@@H]1CCC[C@@H](C(=O)NCC[NH+]2CCCCCC2)C1 ZINC000160222175 277701584 /nfs/dbraw/zinc/70/15/84/277701584.db2.gz XOLCUAVEMPATRO-HUUCEWRRSA-N 1 0 266.429 2.805 20 70 CFIDRO COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC(C)(C)O)cc1 ZINC000160629775 277925599 /nfs/dbraw/zinc/92/55/99/277925599.db2.gz GZZHSZHTEZYIFF-NWDGAFQWSA-N 1 0 251.370 2.548 20 70 CFIDRO C[C@H]1CCC[C@H](C(=O)NCC2([NH3+])CCCCC2)C1 ZINC000159654416 278349874 /nfs/dbraw/zinc/34/98/74/278349874.db2.gz MYOMAXNKNHGKHH-STQMWFEESA-N 1 0 252.402 2.591 20 70 CFIDRO O=C(Nc1cc(C2CCCCCC2)[nH]n1)[C@H]1CCC[NH2+]C1 ZINC000161071659 280006239 /nfs/dbraw/zinc/00/62/39/280006239.db2.gz AEAJQJPNNBMCCA-ZDUSSCGKSA-N 1 0 290.411 2.786 20 70 CFIDRO COC[C@@H](C)[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000161149814 292779419 /nfs/dbraw/zinc/77/94/19/292779419.db2.gz GIHYPISAXFJKKU-BZNIZROVSA-N 1 0 277.364 2.533 20 70 CFIDRO C[C@H](CC1CC1)NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000159844118 298354383 /nfs/dbraw/zinc/35/43/83/298354383.db2.gz YTGUDDYNTSIBKG-GDBMZVCRSA-N 1 0 293.455 2.835 20 70 CFIDRO C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)C2CC[NH2+]CC2)C1 ZINC000161046033 300445116 /nfs/dbraw/zinc/44/51/16/300445116.db2.gz GVALUMOKBICBFY-LRDDRELGSA-N 1 0 290.382 2.735 20 70 CFIDRO Cc1ccsc1[C@H]1C[C@H]1C(=O)NCC(C)(C)[NH+](C)C ZINC000159534897 302313978 /nfs/dbraw/zinc/31/39/78/302313978.db2.gz JXWUQVZIRMOCHX-NWDGAFQWSA-N 1 0 280.437 2.616 20 70 CFIDRO CC[C@@H](C)C[N@H+](CC)[C@@H](C)C(=O)N1CCCCC1 ZINC000160585424 322340260 /nfs/dbraw/zinc/34/02/60/322340260.db2.gz VDJUWNDEOKWSBA-KGLIPLIRSA-N 1 0 254.418 2.755 20 70 CFIDRO CCc1cccc(CC(=O)NC[C@@H](C)C[NH+]2CCCC2)c1 ZINC000159379159 322321616 /nfs/dbraw/zinc/32/16/16/322321616.db2.gz PMMUDDJSZHOHNH-OAHLLOKOSA-N 1 0 288.435 2.640 20 70 CFIDRO CCOC[C@@H](O)C[NH2+][C@H](C)c1ccc(SCC)cc1 ZINC000159638112 322325725 /nfs/dbraw/zinc/32/57/25/322325725.db2.gz SWQAGQCJSGUYFA-OCCSQVGLSA-N 1 0 283.437 2.847 20 70 CFIDRO C[C@@H](CNC(=O)NCC1(C2CC2)CCC1)C[NH+]1CCCC1 ZINC000159660055 322326465 /nfs/dbraw/zinc/32/64/65/322326465.db2.gz DYLJJJYUXXULES-AWEZNQCLSA-N 1 0 293.455 2.598 20 70 CFIDRO CC(C)[C@H](C)NC(=O)C[N@H+](CCc1nccs1)C(C)C ZINC000159767576 322327869 /nfs/dbraw/zinc/32/78/69/322327869.db2.gz JXYWURCIBHCNES-ZDUSSCGKSA-N 1 0 297.468 2.557 20 70 CFIDRO Cc1cccc(C)c1OCC[N@@H+](C)C[C@H]1CCC[C@@H]1O ZINC000159844436 322329441 /nfs/dbraw/zinc/32/94/41/322329441.db2.gz QSJLQODXHISXGL-CVEARBPZSA-N 1 0 277.408 2.775 20 70 CFIDRO C[C@@H]([NH2+]CCC(C)(C)C)c1nnnn1-c1ccccc1 ZINC000159881802 322329641 /nfs/dbraw/zinc/32/96/41/322329641.db2.gz SHRDVSQDCLSTTJ-GFCCVEGCSA-N 1 0 273.384 2.749 20 70 CFIDRO CS[C@@H](C)CNC(=O)NCCC[NH+](C(C)C)C(C)C ZINC000159946059 322331164 /nfs/dbraw/zinc/33/11/64/322331164.db2.gz OWROETHFIYVJKQ-ZDUSSCGKSA-N 1 0 289.489 2.546 20 70 CFIDRO C[C@H](NC(=O)NCC1(C2CC2)CCC1)C(C)(C)C[NH+](C)C ZINC000160030200 322332000 /nfs/dbraw/zinc/33/20/00/322332000.db2.gz LDDDMYKQCRBQFS-ZDUSSCGKSA-N 1 0 295.471 2.842 20 70 CFIDRO CC(C)C[C@H](C)NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000160029078 322332070 /nfs/dbraw/zinc/33/20/70/322332070.db2.gz AEKNRRYBFNCJHJ-STQMWFEESA-N 1 0 271.449 2.697 20 70 CFIDRO CCSCC[C@@H](C)[NH2+]C[C@H](O)COc1ccccc1 ZINC000160099517 322332857 /nfs/dbraw/zinc/33/28/57/322332857.db2.gz SUWQFNNSCBONCY-KGLIPLIRSA-N 1 0 283.437 2.548 20 70 CFIDRO CC(C)[N@@H+]1CC[C@H](CNc2nnc(C(F)(F)F)s2)C1 ZINC000160166910 322333457 /nfs/dbraw/zinc/33/34/57/322333457.db2.gz FMHANQGLFOFLGJ-MRVPVSSYSA-N 1 0 294.346 2.699 20 70 CFIDRO C[C@H](CC(=O)N(C)c1ccccc1)[NH2+][C@@H](C)C1CC1 ZINC000160141280 322333611 /nfs/dbraw/zinc/33/36/11/322333611.db2.gz IEQGZLCQQHKGOQ-OLZOCXBDSA-N 1 0 260.381 2.816 20 70 CFIDRO CCC(CC)CNC(=O)N(CC[NH+](C)C)CC(C)C ZINC000160571838 322339411 /nfs/dbraw/zinc/33/94/11/322339411.db2.gz KBHPVZQMILMJIS-UHFFFAOYSA-N 1 0 271.449 2.652 20 70 CFIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(F)cc(F)c1 ZINC000160539257 322339613 /nfs/dbraw/zinc/33/96/13/322339613.db2.gz YFLUYFRLCSXONE-OAHLLOKOSA-N 1 0 296.361 2.815 20 70 CFIDRO C[C@H]([NH2+]CC(=O)NCC(F)(F)F)[C@@H](C)C1CCCCC1 ZINC000160571494 322339702 /nfs/dbraw/zinc/33/97/02/322339702.db2.gz MJIHUUDJGPUQGU-MNOVXSKESA-N 1 0 294.361 2.859 20 70 CFIDRO CC(C)[NH2+]CCC(=O)N1CCc2c1cccc2Cl ZINC000160586711 322340283 /nfs/dbraw/zinc/34/02/83/322340283.db2.gz FRXWSYATSCKLAI-UHFFFAOYSA-N 1 0 266.772 2.617 20 70 CFIDRO CC[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1c(C)nn(C)c1C ZINC000160653883 322341059 /nfs/dbraw/zinc/34/10/59/322341059.db2.gz VADXLIFJKRKJQA-KKUMJFAQSA-N 1 0 279.428 2.629 20 70 CFIDRO CC[C@H](C)OCC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000160655615 322341377 /nfs/dbraw/zinc/34/13/77/322341377.db2.gz MOLDSCQZIJJQHK-ZNMIVQPWSA-N 1 0 298.471 2.674 20 70 CFIDRO CCCCC[NH+](CCCCC)Cc1nncn1C ZINC000160797518 322343083 /nfs/dbraw/zinc/34/30/83/322343083.db2.gz PHUCQBLMAIHWFJ-UHFFFAOYSA-N 1 0 252.406 2.998 20 70 CFIDRO C[C@@H]([NH2+]C[C@@H]1CCc2ccccc21)c1cnn(C)c1 ZINC000160975611 322345450 /nfs/dbraw/zinc/34/54/50/322345450.db2.gz NOLSTCFZUPXMBL-OCCSQVGLSA-N 1 0 255.365 2.801 20 70 CFIDRO CC(C)[NH2+]CCC(=O)N[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000161054162 322346421 /nfs/dbraw/zinc/34/64/21/322346421.db2.gz UHJOHTOMBVQBMD-IAGOWNOFSA-N 1 0 288.435 2.902 20 70 CFIDRO CCC[N@H+](Cc1cccc(C)c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000161091435 322346888 /nfs/dbraw/zinc/34/68/88/322346888.db2.gz QSNDAXOQVQTXNH-MRXNPFEDSA-N 1 0 295.448 2.703 20 70 CFIDRO COCC[NH2+]CC(=O)N(C)c1ccc(-c2ccccc2)cc1 ZINC000161083631 322347064 /nfs/dbraw/zinc/34/70/64/322347064.db2.gz CABSMCDEDQDIAC-UHFFFAOYSA-N 1 0 298.386 2.552 20 70 CFIDRO C[C@H]1C[C@@H](NC(=O)C2CCC(C)(C)CC2)C[N@@H+]1C1CC1 ZINC000161105757 322347738 /nfs/dbraw/zinc/34/77/38/322347738.db2.gz QTGLZDHKLQFNKF-GXTWGEPZSA-N 1 0 278.440 2.944 20 70 CFIDRO Cc1ccc(C[C@@H](C)N(C)C(=O)CC[NH2+]C(C)C)cc1 ZINC000161156601 322348239 /nfs/dbraw/zinc/34/82/39/322348239.db2.gz DEUGZAUNKPTMPL-OAHLLOKOSA-N 1 0 276.424 2.773 20 70 CFIDRO COC[C@@H](C)[NH2+][C@@H](CNC(=O)OC(C)(C)C)CC(C)C ZINC000161264313 322349194 /nfs/dbraw/zinc/34/91/94/322349194.db2.gz NLIKNXJEMUFBLL-CHWSQXEVSA-N 1 0 288.432 2.550 20 70 CFIDRO CCC[NH+]1CCC(CNC(=O)N2CC[C@H](C)[C@H](C)C2)CC1 ZINC000161412479 322351266 /nfs/dbraw/zinc/35/12/66/322351266.db2.gz SIWIPRILDPRRGJ-LSDHHAIUSA-N 1 0 295.471 2.796 20 70 CFIDRO CC(C)(C)C[N@H+](CCCO)Cc1cnc2ccccn12 ZINC000160223047 518663130 /nfs/dbraw/zinc/66/31/30/518663130.db2.gz OFQYMPDVANWACV-UHFFFAOYSA-N 1 0 275.396 2.565 20 70 CFIDRO CC(C)(C)c1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000160378925 519017384 /nfs/dbraw/zinc/01/73/84/519017384.db2.gz HGPSNRJWCIPKBV-IYBDPMFKSA-N 1 0 286.419 2.951 20 70 CFIDRO CC(C)OCCC[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000160280073 519762756 /nfs/dbraw/zinc/76/27/56/519762756.db2.gz FJOFCDMXJSXZCH-MRXNPFEDSA-N 1 0 262.397 2.988 20 70 CFIDRO CC(C)Oc1ccc(Cl)cc1C(=O)NCC(C)(C)[NH3+] ZINC000159937483 519780116 /nfs/dbraw/zinc/78/01/16/519780116.db2.gz ASFOHLJQSYNNEN-UHFFFAOYSA-N 1 0 284.787 2.594 20 70 CFIDRO CCOc1cccc(CNCC[N@H+](C)[C@@H](C)CC)c1 ZINC000217389025 521361861 /nfs/dbraw/zinc/36/18/61/521361861.db2.gz MZEKFWKNHPHOKX-AWEZNQCLSA-N 1 0 264.413 2.905 20 70 CFIDRO CCC1(C(=O)N2CCC([NH2+]CC3CC3)CC2)CCC1 ZINC000159788886 521660667 /nfs/dbraw/zinc/66/06/67/521660667.db2.gz AQCOUEQAOMJEHC-UHFFFAOYSA-N 1 0 264.413 2.557 20 70 CFIDRO CCC1(C(=O)NCC[NH2+]C2CCCCCC2)CCC1 ZINC000159660018 521666706 /nfs/dbraw/zinc/66/67/06/521666706.db2.gz OIRPEBKZPSHFMP-UHFFFAOYSA-N 1 0 266.429 2.995 20 70 CFIDRO CCSc1ccccc1[C@@H](C)[NH2+]CC(=O)NC(C)C ZINC000160936946 521781825 /nfs/dbraw/zinc/78/18/25/521781825.db2.gz GBVHYOXSHVSSFL-GFCCVEGCSA-N 1 0 280.437 2.974 20 70 CFIDRO CC[C@@H](C)c1cc(C(=O)NCC[NH+]2CCCCCC2)on1 ZINC000160223808 522417815 /nfs/dbraw/zinc/41/78/15/522417815.db2.gz ICSLJJAGHLQXJC-CYBMUJFWSA-N 1 0 293.411 2.794 20 70 CFIDRO C[N@H+](CC1CCN(C(=O)C(C)(C)C)CC1)[C@@H]1CCSC1 ZINC000161049933 522655812 /nfs/dbraw/zinc/65/58/12/522655812.db2.gz OIVPMFBWXRBPDI-CQSZACIVSA-N 1 0 298.496 2.708 20 70 CFIDRO CC[C@H]([NH2+][C@H](C(N)=O)C(C)C)c1ccc(F)cc1F ZINC000160897187 522730914 /nfs/dbraw/zinc/73/09/14/522730914.db2.gz SMKCYINFONRYFN-STQMWFEESA-N 1 0 270.323 2.515 20 70 CFIDRO COC[C@H]([NH2+]C[C@@H](C)N(C)Cc1ccccc1)C1CC1 ZINC000160898980 522740414 /nfs/dbraw/zinc/74/04/14/522740414.db2.gz XQGMCULYKLEZHR-PBHICJAKSA-N 1 0 276.424 2.522 20 70 CFIDRO CC[C@H]([NH2+][C@H]1CCc2nc(C)nn2C1)c1cccs1 ZINC000160418877 522760247 /nfs/dbraw/zinc/76/02/47/522760247.db2.gz LKCACRNRYNIRRT-RYUDHWBXSA-N 1 0 276.409 2.704 20 70 CFIDRO CN(CC[C@@H]1CCCC[N@@H+]1C)Cc1cnc2ccccn12 ZINC000160802306 522927417 /nfs/dbraw/zinc/92/74/17/522927417.db2.gz OXECVSCEISOAKT-HNNXBMFYSA-N 1 0 286.423 2.641 20 70 CFIDRO COCCN(C)CC[NH2+][C@@H](Cc1ccc(F)cc1)C(C)C ZINC000159371980 523610080 /nfs/dbraw/zinc/61/00/80/523610080.db2.gz SHTSYAAHMACZPB-KRWDZBQOSA-N 1 0 296.430 2.561 20 70 CFIDRO CC[C@@]1(C)C[C@H]1C(=O)NCC[NH2+]C1CCCCCC1 ZINC000159671976 523727871 /nfs/dbraw/zinc/72/78/71/523727871.db2.gz BCYKJMFRZODUPS-HOCLYGCPSA-N 1 0 266.429 2.851 20 70 CFIDRO C[N@@H+]1CCC[C@@H]2CN(c3nc(C(C)(C)C)ns3)CC[C@H]21 ZINC000159998555 523834847 /nfs/dbraw/zinc/83/48/47/523834847.db2.gz BHDMMAAFNSVCRH-VXGBXAGGSA-N 1 0 294.468 2.756 20 70 CFIDRO CN(C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)[C@H](C[NH3+])C1CC1 ZINC000159776145 523898708 /nfs/dbraw/zinc/89/87/08/523898708.db2.gz RYTRJPOHVVJBNV-LCGIIJARSA-N 1 0 278.440 2.789 20 70 CFIDRO CC[C@H](C)NC(=O)CC[NH2+]Cc1coc2ccccc12 ZINC000159820648 523968818 /nfs/dbraw/zinc/96/88/18/523968818.db2.gz FQKGVRHBGWCZGE-LBPRGKRZSA-N 1 0 274.364 2.827 20 70 CFIDRO C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)C[NH2+]CC1CC1 ZINC000159527966 524435097 /nfs/dbraw/zinc/43/50/97/524435097.db2.gz SFYWVOXRYLLPCS-GTNSWQLSSA-N 1 0 290.382 2.565 20 70 CFIDRO C[C@H](C[NH2+][C@H](C)C1CCOCC1)N(C)Cc1ccccc1 ZINC000160897880 524501160 /nfs/dbraw/zinc/50/11/60/524501160.db2.gz ZIXBUTVWHRCOLC-HZPDHXFCSA-N 1 0 290.451 2.912 20 70 CFIDRO COc1ccccc1C[C@H](C)[NH2+]CC1(CO)CCCC1 ZINC000160101416 524510458 /nfs/dbraw/zinc/51/04/58/524510458.db2.gz MLIJRIXJHWLGIF-AWEZNQCLSA-N 1 0 277.408 2.769 20 70 CFIDRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cc(Cl)ccc1F ZINC000159635783 524568015 /nfs/dbraw/zinc/56/80/15/524568015.db2.gz OZAAAZNOKWOQSL-NXEZZACHSA-N 1 0 284.762 2.565 20 70 CFIDRO C[C@@H](CN1CCCC1=O)[NH2+]Cc1coc2ccccc12 ZINC000161092860 524599578 /nfs/dbraw/zinc/59/95/78/524599578.db2.gz ZDGZRQZUNFQFES-LBPRGKRZSA-N 1 0 272.348 2.533 20 70 CFIDRO C[C@H]1C[C@@H](N(C)c2nc(C(C)(C)C)ns2)CC[N@@H+]1C ZINC000159624651 524786059 /nfs/dbraw/zinc/78/60/59/524786059.db2.gz MHUHMTQUFZENDL-QWRGUYRKSA-N 1 0 282.457 2.755 20 70 CFIDRO Cc1cccc([C@H](C)C(=O)N2CC[NH+](C(C)C)CC2)c1 ZINC000159557634 524860140 /nfs/dbraw/zinc/86/01/40/524860140.db2.gz UGNORUBPKBIVDM-HNNXBMFYSA-N 1 0 274.408 2.651 20 70 CFIDRO Cc1ccc(NC(=O)N(C)[C@H](C[NH3+])C2CC2)cc1Cl ZINC000159907999 525113153 /nfs/dbraw/zinc/11/31/53/525113153.db2.gz DTXPEBBIRRCNAV-CYBMUJFWSA-N 1 0 281.787 2.849 20 70 CFIDRO COc1ccc([C@@H](C)[NH2+]CC2(CO)CCCC2)c(OC)c1 ZINC000160073695 525146687 /nfs/dbraw/zinc/14/66/87/525146687.db2.gz WMNVFFSFGMQPRX-CYBMUJFWSA-N 1 0 293.407 2.907 20 70 CFIDRO C[C@]1(C(=O)NCc2ccc3ccccc3c2)CCC[NH2+]C1 ZINC000161355496 525210606 /nfs/dbraw/zinc/21/06/06/525210606.db2.gz DYPCHBAEFCXVAV-SFHVURJKSA-N 1 0 282.387 2.846 20 70 CFIDRO C[C@H]([NH2+]CCCc1nc2c(s1)CCCC2)[C@H]1CCOC1 ZINC000160590768 525347373 /nfs/dbraw/zinc/34/73/73/525347373.db2.gz OLECDFYMABUREJ-STQMWFEESA-N 1 0 294.464 2.969 20 70 CFIDRO CSCCCCC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000159898293 525401592 /nfs/dbraw/zinc/40/15/92/525401592.db2.gz YXMGIMPNTJCHCT-ZDUSSCGKSA-N 1 0 272.458 2.510 20 70 CFIDRO COc1ccc([C@H]2C[C@H](C)[N@H+](CCn3ccnc3)C2)cc1 ZINC000159839907 525428925 /nfs/dbraw/zinc/42/89/25/525428925.db2.gz OYBZGTKIBYEJJG-HOCLYGCPSA-N 1 0 285.391 2.770 20 70 CFIDRO C[C@@H](NC[C@H](C1CCCCC1)[NH+](C)C)c1cnn(C)c1 ZINC000160403706 525492854 /nfs/dbraw/zinc/49/28/54/525492854.db2.gz RFVJDYOXCIGTAY-CZUORRHYSA-N 1 0 278.444 2.581 20 70 CFIDRO CSC[C@@H](CCO)[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000160172145 525642634 /nfs/dbraw/zinc/64/26/34/525642634.db2.gz RXIOINMBNDAGNL-HZPDHXFCSA-N 1 0 279.449 2.711 20 70 CFIDRO Cc1ccsc1[C@H]1C[C@H]1C(=O)N1CC[NH+](C(C)C)CC1 ZINC000161111466 525895904 /nfs/dbraw/zinc/89/59/04/525895904.db2.gz MVDISTYJVZIEDS-UONOGXRCSA-N 1 0 292.448 2.713 20 70 CFIDRO NC(=O)C1CCC([NH2+]Cc2cc(F)cc(Cl)c2)CC1 ZINC000160887298 526855244 /nfs/dbraw/zinc/85/52/44/526855244.db2.gz YYXODNHXWXCMGR-UHFFFAOYSA-N 1 0 284.762 2.613 20 70 CFIDRO NC(=O)c1cccc(C[NH2+]CCc2ccc(Cl)s2)c1 ZINC000218153658 527079849 /nfs/dbraw/zinc/07/98/49/527079849.db2.gz YIBAPJUCKPUORX-UHFFFAOYSA-N 1 0 294.807 2.833 20 70 CFIDRO O=C(Nc1ccc(CC(F)(F)F)cc1)[C@@H]1CCC[NH2+]C1 ZINC000160304364 527165341 /nfs/dbraw/zinc/16/53/41/527165341.db2.gz OOSKZVCPSXAWQA-LLVKDONJSA-N 1 0 286.297 2.730 20 70 CFIDRO Cc1nc2ccccn2c1C[N@H+](C)C[C@@H]1CCCOC1 ZINC000160246949 527176177 /nfs/dbraw/zinc/17/61/77/527176177.db2.gz WYVRSCOSACWDJY-AWEZNQCLSA-N 1 0 273.380 2.501 20 70 CFIDRO O=c1[nH]c2ccccc2cc1C[NH2+]CC1(CO)CCCC1 ZINC000160088791 527524154 /nfs/dbraw/zinc/52/41/54/527524154.db2.gz BLTQZSKGOOUTEA-UHFFFAOYSA-N 1 0 286.375 2.583 20 70 CFIDRO CCNC(=O)C(C)(C)CNc1cc[nH+]c2ccccc12 ZINC000161374206 528025523 /nfs/dbraw/zinc/02/55/23/528025523.db2.gz ALKXOHLBENCSLS-UHFFFAOYSA-N 1 0 271.364 2.809 20 70 CFIDRO CCC([NH3+])(CC)CNC(=O)C1(c2ccccc2C)CC1 ZINC000160426795 528925672 /nfs/dbraw/zinc/92/56/72/528925672.db2.gz QOBDGINYDJECQF-UHFFFAOYSA-N 1 0 274.408 2.660 20 70 CFIDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCCc1sccc1C ZINC000159906701 529078562 /nfs/dbraw/zinc/07/85/62/529078562.db2.gz HHWGONFXCIPHQZ-CQSZACIVSA-N 1 0 294.464 2.980 20 70 CFIDRO CC(C)c1ccsc1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000161291650 574376125 /nfs/dbraw/zinc/37/61/25/574376125.db2.gz CMJSVXMVESCXLW-MNOVXSKESA-N 1 0 266.410 2.871 20 70 CFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccccc1C)CC2 ZINC000159596794 282127404 /nfs/dbraw/zinc/12/74/04/282127404.db2.gz HZTHAJRQXJHSNO-TZMCWYRMSA-N 1 0 270.380 2.561 20 70 CFIDRO CC[C@H](C)C[C@@H](C)NC(=O)N1CCC[N@H+](CC)CC1 ZINC000159920057 529676771 /nfs/dbraw/zinc/67/67/71/529676771.db2.gz YATOMHLFGCRKBE-UONOGXRCSA-N 1 0 269.433 2.548 20 70 CFIDRO CCc1ncc(C(=O)NCC[NH2+]C2CCCCCC2)s1 ZINC000159666221 348014459 /nfs/dbraw/zinc/01/44/59/348014459.db2.gz PKGKDQFXKWIEES-UHFFFAOYSA-N 1 0 295.452 2.748 20 70 CFIDRO COc1ccc2c(c1)CCC[C@H]2[NH2+][C@H](CCO)CSC ZINC000160361385 348016693 /nfs/dbraw/zinc/01/66/93/348016693.db2.gz PTOLCWQEXOMFOW-CZUORRHYSA-N 1 0 295.448 2.776 20 70 CFIDRO C[N@H+](CCNc1nnc(C(F)(F)F)s1)C1CCCC1 ZINC000160332579 348017184 /nfs/dbraw/zinc/01/71/84/348017184.db2.gz HWWIBVPYJMBKOU-UHFFFAOYSA-N 1 0 294.346 2.843 20 70 CFIDRO CCSCc1ccc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000160854386 348021526 /nfs/dbraw/zinc/02/15/26/348021526.db2.gz NNCGBVWHQGCAIO-GJZGRUSLSA-N 1 0 292.448 2.939 20 70 CFIDRO CC[N@H+](CCN[C@@H]1CCCc2cccnc21)C1CC1 ZINC000217482789 539644161 /nfs/dbraw/zinc/64/41/61/539644161.db2.gz BCHYFTQEEKOWSW-OAHLLOKOSA-N 1 0 259.397 2.533 20 70 CFIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CCSc2ccc(F)cc2)C1 ZINC000161373236 539736922 /nfs/dbraw/zinc/73/69/22/539736922.db2.gz LRPLQMSBCAHJRN-CHWSQXEVSA-N 1 0 296.411 2.694 20 70 CFIDRO CC[C@H](NCc1ccc(C[NH+](CC)CC)cc1)C(=O)OC ZINC000159484318 188428006 /nfs/dbraw/zinc/42/80/06/188428006.db2.gz QKGUGXANHWUBAR-INIZCTEOSA-N 1 0 292.423 2.570 20 70 CFIDRO Cc1ccc(C(=O)NCC2([NH3+])CCCCC2)cc1F ZINC000159564157 188432521 /nfs/dbraw/zinc/43/25/21/188432521.db2.gz MIHCVJKKFUCFOV-UHFFFAOYSA-N 1 0 264.344 2.526 20 70 CFIDRO C[C@@H]([NH2+][C@@H]1CCCSC1)c1ccc([S@](C)=O)cc1 ZINC000159605234 188434234 /nfs/dbraw/zinc/43/42/34/188434234.db2.gz LDZYBQBCBQKDLM-AEDCBLDQSA-N 1 0 283.462 2.970 20 70 CFIDRO Cc1ccccc1[C@@H](CC(C)C)NC(=O)CCC[NH3+] ZINC000159695481 188437512 /nfs/dbraw/zinc/43/75/12/188437512.db2.gz QITBJMRDIHXLPF-OAHLLOKOSA-N 1 0 262.397 2.937 20 70 CFIDRO CCC([NH3+])(CC)CNC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000160465247 188474534 /nfs/dbraw/zinc/47/45/34/188474534.db2.gz RRGDYULBRSQRFW-WDEREUQCSA-N 1 0 296.361 2.702 20 70 CFIDRO C[C@H](CN1CCCC1=O)[NH2+]Cc1ccc(Cl)cc1F ZINC000160780142 188490171 /nfs/dbraw/zinc/49/01/71/188490171.db2.gz GQZZQTOUYIZMQB-SNVBAGLBSA-N 1 0 284.762 2.580 20 70 CFIDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccccc1CS(C)(=O)=O ZINC000160929293 188499199 /nfs/dbraw/zinc/49/91/99/188499199.db2.gz KKKZPGDBPQWLEA-OLZOCXBDSA-N 1 0 283.437 2.755 20 70 CFIDRO CCC(CC)(C[NH3+])C(=O)Nc1ncc(C(C)C)s1 ZINC000161243422 188517111 /nfs/dbraw/zinc/51/71/11/188517111.db2.gz QPHRNBMQBYLUTC-UHFFFAOYSA-N 1 0 269.414 2.970 20 70 CFIDRO C[C@@H](CC(=O)N(C)CCc1cccs1)C1CC[NH2+]CC1 ZINC000161395198 188524358 /nfs/dbraw/zinc/52/43/58/188524358.db2.gz VPLQJBJNUQHNGC-ZDUSSCGKSA-N 1 0 294.464 2.775 20 70 CFIDRO CCCn1nccc1C[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000160028873 540667388 /nfs/dbraw/zinc/66/73/88/540667388.db2.gz ZNPSMUXPGXWIRN-LBPRGKRZSA-N 1 0 287.363 2.873 20 70 CFIDRO CCCn1nccc1C[NH2+]Cc1cccc(COC)c1 ZINC000160106564 540668415 /nfs/dbraw/zinc/66/84/15/540668415.db2.gz UAKGXWBMIJCGLN-UHFFFAOYSA-N 1 0 273.380 2.729 20 70 CFIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)Cc2ccc3ccccc3c2)C1 ZINC000161129124 540689285 /nfs/dbraw/zinc/68/92/85/540689285.db2.gz BLUWUJLYKSFTQZ-DLBZAZTESA-N 1 0 282.387 2.768 20 70 CFIDRO Cc1nc(CC(C)C)sc1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161209501 540691100 /nfs/dbraw/zinc/69/11/00/540691100.db2.gz HCEARHGMNVSGTF-NWDGAFQWSA-N 1 0 295.452 2.650 20 70 CFIDRO C[C@@H]1CN(C(=O)c2cc3ccc(F)cc3s2)CC[C@H]1[NH3+] ZINC000161214144 540691459 /nfs/dbraw/zinc/69/14/59/540691459.db2.gz DBWZRCSZXSAZRT-BXKDBHETSA-N 1 0 292.379 2.850 20 70 CFIDRO CCC[C@@H]1CN(C(=O)C(C)(CC)CC)CC[N@@H+]1CCOC ZINC000159407290 540991330 /nfs/dbraw/zinc/99/13/30/540991330.db2.gz FJYABNMHUXVZNK-OAHLLOKOSA-N 1 0 298.471 2.772 20 70 CFIDRO Cc1ccc([C@H](C)[NH2+]CCCN2CCCC2=O)cc1F ZINC000159497565 540996446 /nfs/dbraw/zinc/99/64/46/540996446.db2.gz LSFLJLRDZMVDJZ-ZDUSSCGKSA-N 1 0 278.371 2.797 20 70 CFIDRO Cc1cccc([C@H](NC(=O)[C@H](C)[NH+](C)C)c2ccccn2)c1 ZINC000159799298 541012268 /nfs/dbraw/zinc/01/22/68/541012268.db2.gz PTYKDYNDCCEQBK-YOEHRIQHSA-N 1 0 297.402 2.546 20 70 CFIDRO C[C@@H]([NH2+][C@@H]1CCN(C2CCCCC2)C1=O)c1cccnc1 ZINC000160154734 541021847 /nfs/dbraw/zinc/02/18/47/541021847.db2.gz SWDDFDSIMLDVCU-CZUORRHYSA-N 1 0 287.407 2.666 20 70 CFIDRO CC(=O)Nc1ccccc1C[NH2+]CCNc1cccc(C)n1 ZINC000160540558 541431556 /nfs/dbraw/zinc/43/15/56/541431556.db2.gz SIULMKBOSMRYDY-UHFFFAOYSA-N 1 0 298.390 2.550 20 70 CFIDRO Cc1ccc([C@H]2CCCCN2C(=O)CCC[NH3+])cc1 ZINC000159914013 378737733 /nfs/dbraw/zinc/73/77/33/378737733.db2.gz WYOFOSOYXPTUFI-OAHLLOKOSA-N 1 0 260.381 2.788 20 70 CFIDRO CC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2sccc2C)CC1 ZINC000159912235 378737817 /nfs/dbraw/zinc/73/78/17/378737817.db2.gz FTCKFDNGDLWQGB-ZIAGYGMSSA-N 1 0 292.448 2.761 20 70 CFIDRO O=C(NC(c1cccs1)c1cccs1)[C@@H]1CC[NH2+]C1 ZINC000159928478 378738542 /nfs/dbraw/zinc/73/85/42/378738542.db2.gz ACILUNGRDXZRLP-SNVBAGLBSA-N 1 0 292.429 2.625 20 70 CFIDRO CC1(C)C[C@H]([NH2+]Cc2cn3ccccc3n2)C(C)(C)O1 ZINC000159434728 378709077 /nfs/dbraw/zinc/70/90/77/378709077.db2.gz FKTJRHFCZIPWCR-ZDUSSCGKSA-N 1 0 273.380 2.770 20 70 CFIDRO [NH3+][C@@H]1CCN(C(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)C1 ZINC000160199190 378755456 /nfs/dbraw/zinc/75/54/56/378755456.db2.gz NBLJXZHRQCQUGC-UPJWGTAASA-N 1 0 299.201 2.657 20 70 CFIDRO C[N@H+](CCCOCCc1ccccc1)C[C@H]1CCC[C@@H]1O ZINC000159483327 378712329 /nfs/dbraw/zinc/71/23/29/378712329.db2.gz GQKUQWFCAIAMLW-MSOLQXFVSA-N 1 0 291.435 2.729 20 70 CFIDRO Cc1cc(C)cc(CC[NH2+][C@@H](C)c2cnn(C)c2)c1 ZINC000159478250 378712738 /nfs/dbraw/zinc/71/27/38/378712738.db2.gz BRNLKNDKXNNTTN-AWEZNQCLSA-N 1 0 257.381 2.930 20 70 CFIDRO CCc1nn(C)c(CC)c1C[NH2+]CCc1ccccc1 ZINC000159572870 378716520 /nfs/dbraw/zinc/71/65/20/378716520.db2.gz MWEIGYBFAFVONT-UHFFFAOYSA-N 1 0 271.408 2.877 20 70 CFIDRO COc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000159597953 378718765 /nfs/dbraw/zinc/71/87/65/378718765.db2.gz XGHVOCUPRGLLBM-XHSDSOJGSA-N 1 0 273.376 2.742 20 70 CFIDRO CCOc1ccc([C@H](C)[NH2+]CCCN2CCCC2=O)cc1 ZINC000159578132 378719089 /nfs/dbraw/zinc/71/90/89/378719089.db2.gz KGBQWWCGUZVEQG-AWEZNQCLSA-N 1 0 290.407 2.748 20 70 CFIDRO CC[C@H]([NH3+])C(=O)NCCCc1ccc(C(C)C)cc1 ZINC000159607960 378719883 /nfs/dbraw/zinc/71/98/83/378719883.db2.gz QNNGACDGBXZJNS-HNNXBMFYSA-N 1 0 262.397 2.596 20 70 CFIDRO CC[NH+](CC)CCNC(=O)N[C@@H](C)c1cccc(F)c1F ZINC000159645101 378721909 /nfs/dbraw/zinc/72/19/09/378721909.db2.gz ODXGKXSGSOPORD-NSHDSACASA-N 1 0 299.365 2.667 20 70 CFIDRO CC(C)COC[C@H]([NH2+]CCC(C)(C)O)c1ccco1 ZINC000159652778 378723596 /nfs/dbraw/zinc/72/35/96/378723596.db2.gz SJJJDNPLNKCCNR-ZDUSSCGKSA-N 1 0 269.385 2.744 20 70 CFIDRO COc1cc([C@@H](C)[NH2+]CCO)ccc1SC(F)F ZINC000159714102 378726238 /nfs/dbraw/zinc/72/62/38/378726238.db2.gz SKIVCAJPORCNBP-MRVPVSSYSA-N 1 0 277.336 2.653 20 70 CFIDRO CCC[C@H]([NH3+])C(=O)N[C@H]1CCC[C@@H]1c1ccccc1 ZINC000159721825 378726412 /nfs/dbraw/zinc/72/64/12/378726412.db2.gz MFVHNVDHLDAEBG-ILXRZTDVSA-N 1 0 260.381 2.566 20 70 CFIDRO Cc1cccc(C)c1CCNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000160206473 378756533 /nfs/dbraw/zinc/75/65/33/378756533.db2.gz YAAAVCJEVYOYAZ-SFHVURJKSA-N 1 0 296.414 2.532 20 70 CFIDRO CCN(CC)C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000159848588 378734220 /nfs/dbraw/zinc/73/42/20/378734220.db2.gz MMDAROKOPLTGSQ-GDBMZVCRSA-N 1 0 289.423 2.701 20 70 CFIDRO Cc1cccc(C)c1OCC[NH2+][C@@H](C)c1cnccn1 ZINC000160274035 378761044 /nfs/dbraw/zinc/76/10/44/378761044.db2.gz BNZNEVVFRPDWFK-AWEZNQCLSA-N 1 0 271.364 2.823 20 70 CFIDRO CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000160344572 378765297 /nfs/dbraw/zinc/76/52/97/378765297.db2.gz QTJYJCOCLKCQCT-KYOSRNDESA-N 1 0 290.407 2.778 20 70 CFIDRO CC[N@H+](CC(=O)N[C@H]1CCCc2sccc21)C1CC1 ZINC000160385137 378768525 /nfs/dbraw/zinc/76/85/25/378768525.db2.gz LIGOTJWYVFLRPG-ZDUSSCGKSA-N 1 0 278.421 2.726 20 70 CFIDRO CCC([NH3+])(CC)CNC(=O)[C@@H](C)SCc1ccccc1 ZINC000160433693 378771756 /nfs/dbraw/zinc/77/17/56/378771756.db2.gz YEGBDQWLJMROBN-CYBMUJFWSA-N 1 0 294.464 2.942 20 70 CFIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(Cl)o1 ZINC000160422032 378771986 /nfs/dbraw/zinc/77/19/86/378771986.db2.gz NLIHUSYDWTVSRB-LLVKDONJSA-N 1 0 284.787 2.783 20 70 CFIDRO CCC([NH3+])(CC)CNC(=O)C(C)(C)c1ccccc1F ZINC000160478869 378775578 /nfs/dbraw/zinc/77/55/78/378775578.db2.gz PWJABSDGTRSDEG-UHFFFAOYSA-N 1 0 280.387 2.737 20 70 CFIDRO C[C@]1(CNc2ncccn2)CCC[N@@H+]1Cc1ccccc1 ZINC000160792764 378800529 /nfs/dbraw/zinc/80/05/29/378800529.db2.gz YIVHEBKOJYUPMS-QGZVFWFLSA-N 1 0 282.391 2.943 20 70 CFIDRO COCc1ccc(C[NH2+][C@@H]2CCOC(C)(C)C2)cc1 ZINC000160545077 378781122 /nfs/dbraw/zinc/78/11/22/378781122.db2.gz VJBCXZXUCGRKFP-OAHLLOKOSA-N 1 0 263.381 2.880 20 70 CFIDRO CSc1ccc([C@@H](C)[NH2+]CC(C)(C)O)cc1F ZINC000160609767 378786030 /nfs/dbraw/zinc/78/60/30/378786030.db2.gz GNCRRGRWROSHBN-SECBINFHSA-N 1 0 257.374 2.969 20 70 CFIDRO Cc1csc(CCCC[NH2+][C@@H](C)c2cnccn2)n1 ZINC000160668388 378789767 /nfs/dbraw/zinc/78/97/67/378789767.db2.gz ZJYSTHLEVKYHMG-LBPRGKRZSA-N 1 0 276.409 2.915 20 70 CFIDRO C[C@@H](Cc1ccc(O)cc1)[NH2+]CC1(N(C)C)CCCC1 ZINC000160673540 378791593 /nfs/dbraw/zinc/79/15/93/378791593.db2.gz WESPCSLFQNHIOG-AWEZNQCLSA-N 1 0 276.424 2.787 20 70 CFIDRO CC[C@@H]([NH2+]CCNC(=O)c1ccco1)c1ccc(F)cc1 ZINC000160712620 378792751 /nfs/dbraw/zinc/79/27/51/378792751.db2.gz HAUYRKWPIMHGPN-CQSZACIVSA-N 1 0 290.338 2.889 20 70 CFIDRO COCC[C@H](C)[NH2+]Cc1nnc(-c2ccccc2)s1 ZINC000160738859 378795132 /nfs/dbraw/zinc/79/51/32/378795132.db2.gz MPXDUEZVDSNLJV-NSHDSACASA-N 1 0 277.393 2.720 20 70 CFIDRO C[NH2+][C@H]1CCN(C(=O)CCc2ccc3ccccc3c2)C1 ZINC000160755532 378796417 /nfs/dbraw/zinc/79/64/17/378796417.db2.gz WMQHYFWGGXMGRP-KRWDZBQOSA-N 1 0 282.387 2.593 20 70 CFIDRO COc1cccc([C@@H](O)C[NH2+][C@H](C)c2ccco2)c1 ZINC000160790889 378798387 /nfs/dbraw/zinc/79/83/87/378798387.db2.gz DUZDQQYBPNTQDK-RISCZKNCSA-N 1 0 261.321 2.672 20 70 CFIDRO COC(C[N@@H+]1C[C@@H](C)C[C@H]1c1cccc(F)c1)OC ZINC000161271506 378836130 /nfs/dbraw/zinc/83/61/30/378836130.db2.gz LRHPOJPLFVQBHN-FZMZJTMJSA-N 1 0 267.344 2.828 20 70 CFIDRO CC[C@H](NC(=O)[C@H]([NH3+])C(C)C)c1ccc(F)cc1F ZINC000161209808 378831390 /nfs/dbraw/zinc/83/13/90/378831390.db2.gz BGFKKJSQVLRMIO-QWHCGFSZSA-N 1 0 270.323 2.515 20 70 CFIDRO CC(C)c1ncc(C(=O)NCCC2CC[NH+](C)CC2)s1 ZINC000161213761 378831610 /nfs/dbraw/zinc/83/16/10/378831610.db2.gz OEVNFVAGKWZPDO-UHFFFAOYSA-N 1 0 295.452 2.728 20 70 CFIDRO C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000161246814 378833008 /nfs/dbraw/zinc/83/30/08/378833008.db2.gz XWJQFLWSUAWEDV-YUELXQCFSA-N 1 0 290.382 2.530 20 70 CFIDRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccccc1CS(C)(=O)=O ZINC000160929422 378809787 /nfs/dbraw/zinc/80/97/87/378809787.db2.gz KKKZPGDBPQWLEA-STQMWFEESA-N 1 0 283.437 2.755 20 70 CFIDRO C[C@H](CCc1ccco1)[NH2+][C@@H]1CCCc2[nH]c(=O)ccc21 ZINC000160963434 378811650 /nfs/dbraw/zinc/81/16/50/378811650.db2.gz UFYSXOKPKQGUDR-IUODEOHRSA-N 1 0 286.375 2.956 20 70 CFIDRO CC[C@@H](C)OCC(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000160942435 378811704 /nfs/dbraw/zinc/81/17/04/378811704.db2.gz RNPWXBTWHJTDGC-CYBMUJFWSA-N 1 0 278.396 2.810 20 70 CFIDRO CC[C@@H]([NH2+][C@H]1CCCCNC1=O)c1ccc(F)cc1F ZINC000160998171 378813994 /nfs/dbraw/zinc/81/39/94/378813994.db2.gz DSKIFRUUDRMCHI-KGLIPLIRSA-N 1 0 282.334 2.674 20 70 CFIDRO [NH3+]CCCC(=O)N[C@H](Cc1ccccc1)c1cccs1 ZINC000161066421 378818285 /nfs/dbraw/zinc/81/82/85/378818285.db2.gz HUZKSTLTRDRPQT-CQSZACIVSA-N 1 0 288.416 2.887 20 70 CFIDRO CCC[C@@H]([NH3+])C(=O)N[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000161055079 378818416 /nfs/dbraw/zinc/81/84/16/378818416.db2.gz TYMSFHKSOZJNNX-OAGGEKHMSA-N 1 0 274.408 2.641 20 70 CFIDRO Cc1ncc([C@H](C)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c(C)n1 ZINC000161050291 378818449 /nfs/dbraw/zinc/81/84/49/378818449.db2.gz RQGJJSSYRWPINS-CFVMTHIKSA-N 1 0 276.428 2.617 20 70 CFIDRO O=C(Nc1cc(C2CCCCCC2)[nH]n1)[C@@H]1CCC[NH2+]C1 ZINC000161071533 378819815 /nfs/dbraw/zinc/81/98/15/378819815.db2.gz AEAJQJPNNBMCCA-CYBMUJFWSA-N 1 0 290.411 2.786 20 70 CFIDRO CC[C@H](C)[NH2+]CCCOCc1ccc(OC)cc1 ZINC000161091136 378821413 /nfs/dbraw/zinc/82/14/13/378821413.db2.gz WCTMLJOXXSNOOA-ZDUSSCGKSA-N 1 0 251.370 2.990 20 70 CFIDRO CC[C@@H](Cc1ccccc1)N(C)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000161105435 378821706 /nfs/dbraw/zinc/82/17/06/378821706.db2.gz MSCGNGAHDTUDGS-PMPSAXMXSA-N 1 0 274.408 2.594 20 70 CFIDRO CCC(CC)c1cc(CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)on1 ZINC000161109696 378823059 /nfs/dbraw/zinc/82/30/59/378823059.db2.gz YGTRAYGMXZEGPU-STQMWFEESA-N 1 0 293.411 2.712 20 70 CFIDRO CC(C)n1ccnc1CN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000161334079 378839475 /nfs/dbraw/zinc/83/94/75/378839475.db2.gz HTTXCGODEZLDEU-QGZVFWFLSA-N 1 0 298.434 2.953 20 70 CFIDRO CN(Cc1cc2ccccc2o1)C(=O)[C@H]1CCCC[NH2+]1 ZINC000161413498 378844107 /nfs/dbraw/zinc/84/41/07/378844107.db2.gz SGOJQKNGGGHIHB-CQSZACIVSA-N 1 0 272.348 2.533 20 70 CFIDRO CC(C)C[C@H]([NH3+])C(=O)NC[C@@H](C)Oc1cccc(Cl)c1 ZINC000161402893 378845052 /nfs/dbraw/zinc/84/50/52/378845052.db2.gz FESLBNGERRIKFR-RISCZKNCSA-N 1 0 298.814 2.597 20 70 CFIDRO Cc1cccc([C@@H](C)C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000161435707 378846435 /nfs/dbraw/zinc/84/64/35/378846435.db2.gz JQQVEOHICJFAHJ-KTFSGNIMSA-N 1 0 286.419 2.840 20 70 CFIDRO CC[NH+](CC)CC(=O)Nc1n[nH]c(-c2ccc(C)o2)c1C ZINC000161450156 378848146 /nfs/dbraw/zinc/84/81/46/378848146.db2.gz QYBOAVZZBYKWSW-UHFFFAOYSA-N 1 0 290.367 2.567 20 70 CFIDRO CCOc1cc(Cl)ccc1NC(=O)C[C@H]1CCC[NH2+]1 ZINC000161503500 378852581 /nfs/dbraw/zinc/85/25/81/378852581.db2.gz WOGXARZSNWUASA-LLVKDONJSA-N 1 0 282.771 2.819 20 70 CFIDRO Cc1ccc(-n2nc(C(C)C)cc2NC(=O)[C@H](C)[NH3+])cc1 ZINC000161295571 378837808 /nfs/dbraw/zinc/83/78/08/378837808.db2.gz BKFFHUDBNRXFRM-LBPRGKRZSA-N 1 0 286.379 2.590 20 70 CFIDRO CC[N@H+](C[C@@H](O)c1ccc(C)cc1)C[C@@H]1CCCO1 ZINC000216952878 382785258 /nfs/dbraw/zinc/78/52/58/382785258.db2.gz KHXBDEPDKUYHDF-JKSUJKDBSA-N 1 0 263.381 2.529 20 70 CFIDRO CC[C@@H](C)[N@H+](C)CCNCc1nc2ccccc2n1CC ZINC000217393075 382786113 /nfs/dbraw/zinc/78/61/13/382786113.db2.gz ALKPXDGFAKORKO-CQSZACIVSA-N 1 0 288.439 2.876 20 70 CFIDRO CCN(CC[NH2+]Cc1cccc2[nH]ccc21)C1CC1 ZINC000218180791 382789302 /nfs/dbraw/zinc/78/93/02/382789302.db2.gz SCRZXTYXKMXSQJ-UHFFFAOYSA-N 1 0 257.381 2.742 20 70 CFIDRO CC[C@H](C)N(C)CC[NH2+]Cc1cccc2cc[nH]c21 ZINC000218184779 382789400 /nfs/dbraw/zinc/78/94/00/382789400.db2.gz URWIUSCOULPDRB-ZDUSSCGKSA-N 1 0 259.397 2.988 20 70 CFIDRO CC1CCN(CC[NH2+]Cc2cccc3cc[nH]c32)CC1 ZINC000218107157 382789426 /nfs/dbraw/zinc/78/94/26/382789426.db2.gz JDEZPEDATIMXMY-UHFFFAOYSA-N 1 0 271.408 2.989 20 70 CFIDRO CN1CCC[C@@H]1C[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000218235845 382790029 /nfs/dbraw/zinc/79/00/29/382790029.db2.gz FFYAVBPYSGCKLN-CQSZACIVSA-N 1 0 287.432 2.994 20 70 CFIDRO C[C@@H](CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccc(F)cc1 ZINC000160656480 533424729 /nfs/dbraw/zinc/42/47/29/533424729.db2.gz DZIQUAZSSKBIBR-VBNZEHGJSA-N 1 0 290.382 2.672 20 70 CFIDRO COCCOc1cccc(C[NH2+][C@H]2CCOC(C)(C)C2)c1 ZINC000160512825 394366490 /nfs/dbraw/zinc/36/64/90/394366490.db2.gz RCSJCTBLPNYWBX-HNNXBMFYSA-N 1 0 293.407 2.759 20 70 CFIDRO Cc1cc([C@@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)c(C)s1 ZINC000160332726 394366637 /nfs/dbraw/zinc/36/66/37/394366637.db2.gz FVRANQVEUGJKTC-ZWNOBZJWSA-N 1 0 290.436 2.930 20 70 CFIDRO C[NH2+]C[C@@H]1CCCN([C@@H](C)c2ccc(F)c(F)c2)C1 ZINC000218062940 277026722 /nfs/dbraw/zinc/02/67/22/277026722.db2.gz LNYSGNNBQKPJDE-RYUDHWBXSA-N 1 0 268.351 2.957 20 70 CFIDRO C[C@@H](C[NH2+][C@@H](C)[C@@H]1CCOC1)N1CCc2sccc2C1 ZINC000159851791 278284272 /nfs/dbraw/zinc/28/42/72/278284272.db2.gz KEABZKZBYMNPRE-KCQAQPDRSA-N 1 0 294.464 2.509 20 70 CFIDRO CC(C)(O)C[NH2+][C@@H]1CCCOc2ccc(Cl)cc21 ZINC000160591433 278649319 /nfs/dbraw/zinc/64/93/19/278649319.db2.gz QPJHITUNZSAHRV-GFCCVEGCSA-N 1 0 269.772 2.914 20 70 CFIDRO CC[C@H]([NH2+][C@H](CCO)CSC)c1ccc(OC)cc1 ZINC000160250333 288084784 /nfs/dbraw/zinc/08/47/84/288084784.db2.gz DGMBZNAJZZEWIC-HIFRSBDPSA-N 1 0 283.437 2.850 20 70 CFIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)CC1 ZINC000159516886 279286270 /nfs/dbraw/zinc/28/62/70/279286270.db2.gz DIIDRCNDKJLFRO-SOUVJXGZSA-N 1 0 281.444 2.548 20 70 CFIDRO C[C@H]1CCC[C@@H](C(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000160009641 279678262 /nfs/dbraw/zinc/67/82/62/279678262.db2.gz YUMXGHGATNMQQY-LSDHHAIUSA-N 1 0 278.440 2.900 20 70 CFIDRO CCC(CC)(C[NH3+])C(=O)N[C@@H]1CCCOc2ccccc21 ZINC000161202188 282072160 /nfs/dbraw/zinc/07/21/60/282072160.db2.gz VECJXBGXSJAZGL-CQSZACIVSA-N 1 0 290.407 2.782 20 70 CFIDRO C[C@H](C[NH2+][C@@H](C)[C@@H]1CCOC1)N1CCc2sccc2C1 ZINC000159851923 289689806 /nfs/dbraw/zinc/68/98/06/289689806.db2.gz KEABZKZBYMNPRE-VNHYZAJKSA-N 1 0 294.464 2.509 20 70 CFIDRO CS[C@H](C)CC(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000159483179 322323465 /nfs/dbraw/zinc/32/34/65/322323465.db2.gz WMDONZQCJWQEGT-MELADBBJSA-N 1 0 286.485 2.612 20 70 CFIDRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cc2cc(F)ccc2o1 ZINC000159521716 322324006 /nfs/dbraw/zinc/32/40/06/322324006.db2.gz YZCCIGWRBKYGJT-WDEREUQCSA-N 1 0 290.338 2.658 20 70 CFIDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)OC1CCCCCC1 ZINC000159572627 322324481 /nfs/dbraw/zinc/32/44/81/322324481.db2.gz KDWHLXRROFUJBC-HUUCEWRRSA-N 1 0 296.455 2.715 20 70 CFIDRO Cc1ccccc1[C@@H](C)[NH2+]CCOC[C@@H]1CCCO1 ZINC000159643975 322325642 /nfs/dbraw/zinc/32/56/42/322325642.db2.gz UEGGNUXHICDCSL-CABCVRRESA-N 1 0 263.381 2.841 20 70 CFIDRO OCC[C@@H]1CCCC[N@@H+]1Cc1cccc(-n2cccn2)c1 ZINC000159703594 322326883 /nfs/dbraw/zinc/32/68/83/322326883.db2.gz ZRQCIVVAJCQTRN-INIZCTEOSA-N 1 0 285.391 2.609 20 70 CFIDRO Cc1cccc(C)c1OCC[N@@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159844312 322329367 /nfs/dbraw/zinc/32/93/67/322329367.db2.gz QSJLQODXHISXGL-HOTGVXAUSA-N 1 0 277.408 2.775 20 70 CFIDRO C[C@H]1CCC[C@](CNC(=O)NC2(C)CCC2)([NH+](C)C)C1 ZINC000159884484 322329691 /nfs/dbraw/zinc/32/96/91/322329691.db2.gz LPPCAKXBEYWUHX-BBRMVZONSA-N 1 0 281.444 2.739 20 70 CFIDRO C/C(=C/c1ccc(Cl)cc1)C[NH2+]CCNC(=O)C1CC1 ZINC000159887254 322329961 /nfs/dbraw/zinc/32/99/61/322329961.db2.gz MFOWHXCVCMNMLS-BENRWUELSA-N 1 0 292.810 2.859 20 70 CFIDRO C[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1)c1ccco1 ZINC000160223239 322334581 /nfs/dbraw/zinc/33/45/81/322334581.db2.gz XKPGSONTIPYUOF-VHSXEESVSA-N 1 0 262.275 2.567 20 70 CFIDRO C[C@@H](Cc1ccc(Cl)cc1)C(=O)NC1CC[NH+](C)CC1 ZINC000160244864 322335355 /nfs/dbraw/zinc/33/53/55/322335355.db2.gz KRWHLSLYYQAAQH-LBPRGKRZSA-N 1 0 294.826 2.729 20 70 CFIDRO NC(=O)[C@H]1CCC[N@@H+]1Cc1cc(-c2ccccc2)cs1 ZINC000160362679 322337006 /nfs/dbraw/zinc/33/70/06/322337006.db2.gz IJVLLPSWLFTQNP-OAHLLOKOSA-N 1 0 286.400 2.865 20 70 CFIDRO CC[C@H]([NH2+]C[C@@H](C1CCCCC1)N(C)C)[C@@H]1CCOC1 ZINC000160413533 322338114 /nfs/dbraw/zinc/33/81/14/322338114.db2.gz SLVAJNZVUKNSJY-IKGGRYGDSA-N 1 0 282.472 2.902 20 70 CFIDRO CCOCCNC(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000160494898 322338598 /nfs/dbraw/zinc/33/85/98/322338598.db2.gz KXMFFWVEAPHVJQ-UHFFFAOYSA-N 1 0 292.423 2.683 20 70 CFIDRO C[C@@H]1SCC[N@H+](Cc2cnc3ccccn23)[C@H]1C ZINC000160501437 322339014 /nfs/dbraw/zinc/33/90/14/322339014.db2.gz CZQYNDZBWHTNCY-RYUDHWBXSA-N 1 0 261.394 2.660 20 70 CFIDRO CCC(CC)CNC(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000160606206 322340616 /nfs/dbraw/zinc/34/06/16/322340616.db2.gz YXYIFFAUCJKYEM-UHFFFAOYSA-N 1 0 269.433 2.595 20 70 CFIDRO CC(C)C[NH+](CCCS(=O)(=O)C(C)C)CC(C)C ZINC000160797950 322343161 /nfs/dbraw/zinc/34/31/61/322343161.db2.gz ZUDHRHWZXWTJHJ-UHFFFAOYSA-N 1 0 277.474 2.814 20 70 CFIDRO CCN(C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)C1CCCC1 ZINC000160820158 322343600 /nfs/dbraw/zinc/34/36/00/322343600.db2.gz MKZCKFUUCLKPAA-AWEZNQCLSA-N 1 0 293.455 2.977 20 70 CFIDRO CCCCC[N@H+](Cc1nncn1C)[C@H](C)CCC ZINC000160853798 322344367 /nfs/dbraw/zinc/34/43/67/322344367.db2.gz XKYRQKRQEQDHGT-CYBMUJFWSA-N 1 0 252.406 2.996 20 70 CFIDRO C[C@H]([NH2+]C[C@@H]1CCc2ccccc21)c1cnccn1 ZINC000160972897 322345455 /nfs/dbraw/zinc/34/54/55/322345455.db2.gz WGKSUKLEADHCLC-JSGCOSHPSA-N 1 0 253.349 2.857 20 70 CFIDRO CCc1cc(=O)[nH]c(C[N@@H+]2CCC[C@@H]2C2CCCC2)n1 ZINC000160968910 322345485 /nfs/dbraw/zinc/34/54/85/322345485.db2.gz LNKFTLZKAQDAPH-CQSZACIVSA-N 1 0 275.396 2.899 20 70 CFIDRO CCC[N@H+](CCO)Cc1ccccc1OCC1CC1 ZINC000161224052 322349287 /nfs/dbraw/zinc/34/92/87/322349287.db2.gz WUZASUKQYLALRV-UHFFFAOYSA-N 1 0 263.381 2.680 20 70 CFIDRO CCC[NH+]1CCC(CNC(=O)N2CC[C@@H](C)[C@H](C)C2)CC1 ZINC000161412591 322351308 /nfs/dbraw/zinc/35/13/08/322351308.db2.gz SIWIPRILDPRRGJ-HUUCEWRRSA-N 1 0 295.471 2.796 20 70 CFIDRO CC[NH+](CC)CCNC(=O)N1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000161480511 322352303 /nfs/dbraw/zinc/35/23/03/322352303.db2.gz UPYXRKVJOWGGCH-KFWWJZLASA-N 1 0 281.444 2.691 20 70 CFIDRO CCc1nc2c(s1)[C@H]([NH2+]C1CCN(C)CC1)CCC2 ZINC000161476593 322352548 /nfs/dbraw/zinc/35/25/48/322352548.db2.gz TYBKLXUZTOKXPB-GFCCVEGCSA-N 1 0 279.453 2.767 20 70 CFIDRO C[C@@H]1SCCN(CCC[NH+]2CCCCC2)[C@H]1C ZINC000161160261 534219484 /nfs/dbraw/zinc/21/94/84/534219484.db2.gz MUSPACNTITXQCK-KBPBESRZSA-N 1 0 256.459 2.688 20 70 CFIDRO CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)CCCCCC[NH3+] ZINC000159665498 518984920 /nfs/dbraw/zinc/98/49/20/518984920.db2.gz LUOFDYQWSZKDIL-HOCLYGCPSA-N 1 0 298.471 2.853 20 70 CFIDRO CC(C)CC[C@](C)(O)C[NH2+][C@H](C)c1cncs1 ZINC000159366109 519695899 /nfs/dbraw/zinc/69/58/99/519695899.db2.gz MRGPMLHPNGRZGC-YPMHNXCESA-N 1 0 256.415 2.981 20 70 CFIDRO CC(C)c1noc(CCC[NH2+][C@H](C)C2CCOCC2)n1 ZINC000160826685 519902489 /nfs/dbraw/zinc/90/24/89/519902489.db2.gz OTCRRVJNWOYIKX-GFCCVEGCSA-N 1 0 281.400 2.530 20 70 CFIDRO CCCNC(=O)c1cccc(C[NH2+][C@@H](C)C(C)C)c1 ZINC000160579716 519903462 /nfs/dbraw/zinc/90/34/62/519903462.db2.gz LGASOTXBRKLOMO-ZDUSSCGKSA-N 1 0 262.397 2.961 20 70 CFIDRO CC1(C)C[C@H]([NH2+]CC[S@@](=O)c2ccccc2)C(C)(C)O1 ZINC000160787668 520554393 /nfs/dbraw/zinc/55/43/93/520554393.db2.gz JALFFFIYLOPXHO-XOBRGWDASA-N 1 0 295.448 2.730 20 70 CFIDRO CC1(C)[C@H]([NH2+][C@@H]2CCOC(C)(C)C2)[C@@H]2CCCO[C@@H]21 ZINC000159948594 520673023 /nfs/dbraw/zinc/67/30/23/520673023.db2.gz OCLNWRJTYKXCDW-RQJABVFESA-N 1 0 267.413 2.737 20 70 CFIDRO CC[NH+](CC)[C@H](C)CNCc1cc(F)cc(F)c1 ZINC000159848157 520858879 /nfs/dbraw/zinc/85/88/79/520858879.db2.gz OKYUICBEYGWTHH-LLVKDONJSA-N 1 0 256.340 2.785 20 70 CFIDRO CCCCSCCC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000159894647 520951506 /nfs/dbraw/zinc/95/15/06/520951506.db2.gz MYZGDMIEIBFPFE-AWEZNQCLSA-N 1 0 286.485 2.900 20 70 CFIDRO CCOc1ccc(C[NH2+]CC2(CO)CCCC2)cc1OC ZINC000160079375 521001721 /nfs/dbraw/zinc/00/17/21/521001721.db2.gz REUMCMWHWDJCBU-UHFFFAOYSA-N 1 0 293.407 2.736 20 70 CFIDRO CCCC[C@@H](COC)[NH2+]C[C@H]1CC(=O)Nc2ccccc21 ZINC000160650429 521056798 /nfs/dbraw/zinc/05/67/98/521056798.db2.gz BRZOXPUJMIIGJW-KGLIPLIRSA-N 1 0 290.407 2.907 20 70 CFIDRO COC[C@@H]([NH2+]C[C@@H](C)N1CCc2ccccc21)C(C)C ZINC000159931487 522354152 /nfs/dbraw/zinc/35/41/52/522354152.db2.gz WVFFZWWFFHBMQC-GDBMZVCRSA-N 1 0 276.424 2.698 20 70 CFIDRO COC[C@H](C)[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000159742820 522626807 /nfs/dbraw/zinc/62/68/07/522626807.db2.gz KQOFPSSELALENL-ZDUSSCGKSA-N 1 0 256.349 2.873 20 70 CFIDRO COC[C@H]([NH2+][C@H](CCCO)c1ccccc1)C(C)C ZINC000160849785 522766798 /nfs/dbraw/zinc/76/67/98/522766798.db2.gz CSNSQXFYAGECPS-CVEARBPZSA-N 1 0 265.397 2.761 20 70 CFIDRO CC[C@@H](NCCC[N@@H+]1CCCC[C@@H]1C)c1cnn(C)c1 ZINC000160259408 522825507 /nfs/dbraw/zinc/82/55/07/522825507.db2.gz GJVQJGGKNZHYOP-GOEBONIOSA-N 1 0 278.444 2.725 20 70 CFIDRO CC[C@@H]([NH2+]C[C@@H](C)N(C)Cc1ccccc1)[C@H]1CCOC1 ZINC000160883055 522847315 /nfs/dbraw/zinc/84/73/15/522847315.db2.gz ATERHQCISOMBFN-BPQIPLTHSA-N 1 0 290.451 2.912 20 70 CFIDRO CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)N(C)CC(F)(F)F ZINC000161429502 523041294 /nfs/dbraw/zinc/04/12/94/523041294.db2.gz ICZIXJSNDGJPFQ-QWRGUYRKSA-N 1 0 280.334 2.566 20 70 CFIDRO CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N(C)CC(F)(F)F ZINC000161429399 523195444 /nfs/dbraw/zinc/19/54/44/523195444.db2.gz ICZIXJSNDGJPFQ-MNOVXSKESA-N 1 0 280.334 2.566 20 70 CFIDRO COc1ccc(C[NH2+]Cc2cccc3cc[nH]c32)cn1 ZINC000218091564 524073484 /nfs/dbraw/zinc/07/34/84/524073484.db2.gz WLNXZYNNNVIYBJ-UHFFFAOYSA-N 1 0 267.332 2.861 20 70 CFIDRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cnc(C(C)(C)C)s1 ZINC000159645662 524646299 /nfs/dbraw/zinc/64/62/99/524646299.db2.gz ILNOCXCICGYIEH-MNOVXSKESA-N 1 0 295.452 2.526 20 70 CFIDRO COc1ccc(OC)c([C@H](C)[NH2+]CC2(CO)CCCC2)c1 ZINC000160108794 524903898 /nfs/dbraw/zinc/90/38/98/524903898.db2.gz ONWLLRYIUHIBCA-ZDUSSCGKSA-N 1 0 293.407 2.907 20 70 CFIDRO CSCCCCC(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000159875177 525401637 /nfs/dbraw/zinc/40/16/37/525401637.db2.gz KGDFZOYKRNKEBC-KBPBESRZSA-N 1 0 286.485 2.756 20 70 CFIDRO C[C@@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1cncs1 ZINC000161048742 525637951 /nfs/dbraw/zinc/63/79/51/525637951.db2.gz KTZRRMJAVHPDAS-UTUOFQBUSA-N 1 0 253.415 2.667 20 70 CFIDRO CSCc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000159833979 525726233 /nfs/dbraw/zinc/72/62/33/525726233.db2.gz LXVYZKFHBDMXRQ-GASCZTMLSA-N 1 0 290.432 2.516 20 70 CFIDRO C[C@@H](O)C(C)(C)[NH2+]Cc1ccc(Br)s1 ZINC000160601429 525745295 /nfs/dbraw/zinc/74/52/95/525745295.db2.gz SJUNIUWDWJSSFL-SSDOTTSWSA-N 1 0 278.215 2.760 20 70 CFIDRO C[C@@H](O)C(C)(C)[NH2+]Cc1ccccc1Br ZINC000160626927 525745518 /nfs/dbraw/zinc/74/55/18/525745518.db2.gz YTRMSXJCQKVWDT-SECBINFHSA-N 1 0 272.186 2.698 20 70 CFIDRO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NCC(C)(C)C[NH+](C)C ZINC000159909863 525876508 /nfs/dbraw/zinc/87/65/08/525876508.db2.gz PCEKZHYZDCRDEM-OLZOCXBDSA-N 1 0 294.464 2.864 20 70 CFIDRO Cc1ccsc1[C@@H]1C[C@H]1C(=O)NCC(C)(C)C[NH+](C)C ZINC000159910147 525882026 /nfs/dbraw/zinc/88/20/26/525882026.db2.gz PCEKZHYZDCRDEM-CHWSQXEVSA-N 1 0 294.464 2.864 20 70 CFIDRO CSc1ccc(C(=O)NCC2([NH3+])CCCCC2)cc1 ZINC000159461411 525964772 /nfs/dbraw/zinc/96/47/72/525964772.db2.gz LSQFBXZRNFFNEW-UHFFFAOYSA-N 1 0 278.421 2.800 20 70 CFIDRO O=C(c1cc2ccccn2c1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159862961 526642707 /nfs/dbraw/zinc/64/27/07/526642707.db2.gz NOQUBRRMQJVHEE-UHFFFAOYSA-N 1 0 297.402 2.544 20 70 CFIDRO O=C(c1cccc2ccccc21)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160148654 526785364 /nfs/dbraw/zinc/78/53/64/526785364.db2.gz MDBNVJPRTLYAKU-GASCZTMLSA-N 1 0 280.371 2.806 20 70 CFIDRO NC(=O)CC[C@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC000160329544 526877095 /nfs/dbraw/zinc/87/70/95/526877095.db2.gz JSCJDKSENJERPS-CQSZACIVSA-N 1 0 252.402 2.544 20 70 CFIDRO O=C(c1csc2ccccc12)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160538216 526909133 /nfs/dbraw/zinc/90/91/33/526909133.db2.gz LHOCUQDFKSBEJD-TXEJJXNPSA-N 1 0 286.400 2.868 20 70 CFIDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C1(CCOC)CC1 ZINC000161183016 528464859 /nfs/dbraw/zinc/46/48/59/528464859.db2.gz HNKIDYQNVSOSSS-OAHLLOKOSA-N 1 0 296.455 2.574 20 70 CFIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)CCCC(C)C)CC1 ZINC000159510582 529028828 /nfs/dbraw/zinc/02/88/28/529028828.db2.gz RGKITKSMTOIPRJ-HNNXBMFYSA-N 1 0 283.460 2.938 20 70 CFIDRO CC[C@]1(C)C[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000160401664 348017915 /nfs/dbraw/zinc/01/79/15/348017915.db2.gz OUHSNNQRNFVLOP-IJEWVQPXSA-N 1 0 266.429 2.659 20 70 CFIDRO CC(C)[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160625134 348019043 /nfs/dbraw/zinc/01/90/43/348019043.db2.gz WQARAVSITYZTDG-CVEARBPZSA-N 1 0 293.455 2.691 20 70 CFIDRO CSCc1cc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)ccc1F ZINC000160806533 348021343 /nfs/dbraw/zinc/02/13/43/348021343.db2.gz ZGZMWLHIFPUFDO-CHWSQXEVSA-N 1 0 296.411 2.688 20 70 CFIDRO Cn1ccnc1CN(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000160835631 348021394 /nfs/dbraw/zinc/02/13/94/348021394.db2.gz QLURDMKGROGHPQ-INIZCTEOSA-N 1 0 285.391 2.601 20 70 CFIDRO [NH3+]C1CCN(C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000217028371 348164587 /nfs/dbraw/zinc/16/45/87/348164587.db2.gz DEPVSLFVDXRXQX-UHFFFAOYSA-N 1 0 288.178 2.948 20 70 CFIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2cc3ccccc3s2)C1 ZINC000161138270 539779221 /nfs/dbraw/zinc/77/92/21/539779221.db2.gz ZCBKOTBLRUTZDM-NEPJUHHUSA-N 1 0 274.389 2.901 20 70 CFIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2cc(Cl)ccc2Cl)C1 ZINC000161182722 539782591 /nfs/dbraw/zinc/78/25/91/539782591.db2.gz MBBGGKXSXFJAPO-UWVGGRQHSA-N 1 0 287.190 2.993 20 70 CFIDRO CCOC(CC[NH2+]Cc1ccc(OC)c(OC)c1)OCC ZINC000159533960 188430581 /nfs/dbraw/zinc/43/05/81/188430581.db2.gz MQMZMXFZAUOJOZ-UHFFFAOYSA-N 1 0 297.395 2.583 20 70 CFIDRO CCc1ccsc1C(=O)NCC1([NH3+])CCCCC1 ZINC000159758600 188440101 /nfs/dbraw/zinc/44/01/01/188440101.db2.gz MIQCYTYXUQXKEJ-UHFFFAOYSA-N 1 0 266.410 2.702 20 70 CFIDRO CCC(CC)(C[NH3+])C(=O)NCC(C)(C)c1ccccc1F ZINC000161206479 188514761 /nfs/dbraw/zinc/51/47/61/188514761.db2.gz DPQMADUDGPYCCE-UHFFFAOYSA-N 1 0 294.414 2.985 20 70 CFIDRO COc1cc(C[NH2+]C2CCC3(CC2)OCCO3)ccc1C ZINC000161422367 188526652 /nfs/dbraw/zinc/52/66/52/188526652.db2.gz AHBGELNZQQTFQR-UHFFFAOYSA-N 1 0 291.391 2.779 20 70 CFIDRO CC(=O)NC1CCC([NH2+]CCc2ccc(C)cc2)CC1 ZINC000161502552 188532325 /nfs/dbraw/zinc/53/23/25/188532325.db2.gz NOHDSKRORYICMB-UHFFFAOYSA-N 1 0 274.408 2.574 20 70 CFIDRO [NH3+]C1(CNC(=O)[C@@H]2C[C@@H]2C2CCCCC2)CCCCC1 ZINC000159478809 283405882 /nfs/dbraw/zinc/40/58/82/283405882.db2.gz WVDXMJIWDHFRPF-HUUCEWRRSA-N 1 0 278.440 2.981 20 70 CFIDRO CCCC[C@H](C[NH3+])NC(=O)c1cccn1Cc1ccccc1 ZINC000159788666 540662910 /nfs/dbraw/zinc/66/29/10/540662910.db2.gz TWWIKJQCJHFRRJ-MRXNPFEDSA-N 1 0 299.418 2.784 20 70 CFIDRO CCCn1nccc1CNCC[NH+](C(C)C)C(C)C ZINC000159954964 540665608 /nfs/dbraw/zinc/66/56/08/540665608.db2.gz JDWUUSZOBJFYJS-UHFFFAOYSA-N 1 0 266.433 2.502 20 70 CFIDRO CCCn1nccc1CNCC1([NH+](C)C)CCCCC1 ZINC000159973227 540666155 /nfs/dbraw/zinc/66/61/55/540666155.db2.gz JDLWXIOVVAPVOQ-UHFFFAOYSA-N 1 0 278.444 2.647 20 70 CFIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)CCc2cc(Cl)cs2)C1 ZINC000160804546 540680399 /nfs/dbraw/zinc/68/03/99/540680399.db2.gz MEBSYIGZVFIWCA-MNOVXSKESA-N 1 0 286.828 2.720 20 70 CFIDRO CCc1ccc(C(C)(C)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000161002925 540685977 /nfs/dbraw/zinc/68/59/77/540685977.db2.gz ARNKBEMORSAGLK-HZPDHXFCSA-N 1 0 288.435 2.913 20 70 CFIDRO [NH3+][C@H]1CCC[C@H](NC(=O)C2(Cc3ccccc3)CCC2)C1 ZINC000161018623 540687043 /nfs/dbraw/zinc/68/70/43/540687043.db2.gz CQWFZMGHKMRFCM-HOTGVXAUSA-N 1 0 286.419 2.786 20 70 CFIDRO CC(C)COc1cccc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000161359345 540692229 /nfs/dbraw/zinc/69/22/29/540692229.db2.gz SJBIITWLCSRIIH-HUUCEWRRSA-N 1 0 290.407 2.721 20 70 CFIDRO [NH3+][C@H]1CCC[C@H](NC(=O)CSc2ccccc2Cl)C1 ZINC000161373578 540692365 /nfs/dbraw/zinc/69/23/65/540692365.db2.gz XDALUXLJXKVPKX-QWRGUYRKSA-N 1 0 298.839 2.818 20 70 CFIDRO Cc1ccc(CCCC(=O)N[C@H]2CCC[C@H]([NH3+])C2)s1 ZINC000161226037 540690828 /nfs/dbraw/zinc/69/08/28/540690828.db2.gz UOCIVSPLMZBSPM-STQMWFEESA-N 1 0 280.437 2.765 20 70 CFIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2cc(Cl)ccc2Cl)C1 ZINC000161182840 540690908 /nfs/dbraw/zinc/69/09/08/540690908.db2.gz MBBGGKXSXFJAPO-NXEZZACHSA-N 1 0 287.190 2.993 20 70 CFIDRO Cc1nccc(NC(=O)N(C)CC[NH+]2CCCC2)c1Cl ZINC000159492640 540995702 /nfs/dbraw/zinc/99/57/02/540995702.db2.gz PBUYWLJWFDONBJ-UHFFFAOYSA-N 1 0 296.802 2.603 20 70 CFIDRO CCn1nccc1CNC1CC[NH+](Cc2ccccc2)CC1 ZINC000159872124 541015057 /nfs/dbraw/zinc/01/50/57/541015057.db2.gz DSFGZWRBYFHCMY-UHFFFAOYSA-N 1 0 298.434 2.657 20 70 CFIDRO CCC[NH+]1CCC(NCc2cn3c(cccc3C)n2)CC1 ZINC000160288170 541410950 /nfs/dbraw/zinc/41/09/50/541410950.db2.gz QTZZNVGAWQAXKG-UHFFFAOYSA-N 1 0 286.423 2.607 20 70 CFIDRO CSCC[C@@H]([NH3+])C(=O)N1CCCC2(CCCCC2)C1 ZINC000159859515 378735109 /nfs/dbraw/zinc/73/51/09/378735109.db2.gz VKFVASJERNJAMB-CYBMUJFWSA-N 1 0 284.469 2.640 20 70 CFIDRO CC(C)OC(=O)CC[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159885620 378735292 /nfs/dbraw/zinc/73/52/92/378735292.db2.gz MUDXHIJQNRMEJL-UHFFFAOYSA-N 1 0 278.396 2.526 20 70 CFIDRO O=C(c1ccc2c(c1)CCC2)N1CCC([NH2+]CC2CC2)CC1 ZINC000159872708 378735712 /nfs/dbraw/zinc/73/57/12/378735712.db2.gz XMCLMMVFEFUUDD-UHFFFAOYSA-N 1 0 298.430 2.780 20 70 CFIDRO CC[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]2c2sccc2C)CC1 ZINC000159911980 378737686 /nfs/dbraw/zinc/73/76/86/378737686.db2.gz FTCKFDNGDLWQGB-UONOGXRCSA-N 1 0 292.448 2.761 20 70 CFIDRO O=C(NC(c1cccs1)c1cccs1)[C@H]1CC[NH2+]C1 ZINC000159928588 378739251 /nfs/dbraw/zinc/73/92/51/378739251.db2.gz ACILUNGRDXZRLP-JTQLQIEISA-N 1 0 292.429 2.625 20 70 CFIDRO C[C@@H]([NH2+]C[C@](C)(O)c1ccsc1)c1cncs1 ZINC000159959393 378740273 /nfs/dbraw/zinc/74/02/73/378740273.db2.gz GJSJPTUFXCHILP-SKDRFNHKSA-N 1 0 268.407 2.763 20 70 CFIDRO C[NH2+]C[C@@H](C)C(=O)N(C)[C@@H](C)c1cc(C)ccc1C ZINC000159968192 378740712 /nfs/dbraw/zinc/74/07/12/378740712.db2.gz DHKQWNVVHVGODF-KGLIPLIRSA-N 1 0 262.397 2.678 20 70 CFIDRO CC(C)([NH3+])CNC(=O)CCCc1ccc(Cl)cc1 ZINC000159992193 378742086 /nfs/dbraw/zinc/74/20/86/378742086.db2.gz YZRNRUYJIFBXEA-UHFFFAOYSA-N 1 0 268.788 2.516 20 70 CFIDRO CC[NH+](CC)[C@@H](C)CNC(=O)[C@@H](C)c1cccs1 ZINC000160070642 378747025 /nfs/dbraw/zinc/74/70/25/378747025.db2.gz FHGBWIRABUPSGO-RYUDHWBXSA-N 1 0 268.426 2.698 20 70 CFIDRO C[C@@]1(c2ccccc2)CCCN(C(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000160101655 378748152 /nfs/dbraw/zinc/74/81/52/378748152.db2.gz FMMPMSHSWKMAOQ-FUHWJXTLSA-N 1 0 286.419 2.709 20 70 CFIDRO Cc1ccc2nc(C3CC3)cc(C(=O)NCC(C)(C)[NH3+])c2c1 ZINC000160093309 378748941 /nfs/dbraw/zinc/74/89/41/378748941.db2.gz DKPAWEPAVCULGP-UHFFFAOYSA-N 1 0 297.402 2.888 20 70 CFIDRO C[C@@H](CC(=O)NC[C@@H]1CC[N@H+](C)C1)c1ccc(F)cc1F ZINC000160100350 378749013 /nfs/dbraw/zinc/74/90/13/378749013.db2.gz MLTXYKXZSJLOCB-RYUDHWBXSA-N 1 0 296.361 2.526 20 70 CFIDRO C[C@@H](C(=O)NCC1CCCCC1)N(C)Cc1cccnc1 ZINC000159453213 378710162 /nfs/dbraw/zinc/71/01/62/378710162.db2.gz OSIFLQDUQNCBPU-AWEZNQCLSA-N 1 0 289.423 2.598 20 70 CFIDRO [NH3+]C1(CNC(=O)c2ccccc2OC(F)F)CCCCC1 ZINC000159494279 378713690 /nfs/dbraw/zinc/71/36/90/378713690.db2.gz FGTTYPZBTGXGDW-UHFFFAOYSA-N 1 0 298.333 2.679 20 70 CFIDRO O=C1CCCN1CCC[NH2+][C@@H]1CCCc2ccccc21 ZINC000159559984 378716412 /nfs/dbraw/zinc/71/64/12/378716412.db2.gz IZNPVSAEXMTJRU-MRXNPFEDSA-N 1 0 272.392 2.666 20 70 CFIDRO Cc1ccc(F)c(C(=O)NCC2([NH3+])CCCCC2)c1 ZINC000159559197 378716897 /nfs/dbraw/zinc/71/68/97/378716897.db2.gz BACBEWJLAJQALL-UHFFFAOYSA-N 1 0 264.344 2.526 20 70 CFIDRO CCc1ccc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)o1 ZINC000159595817 378718700 /nfs/dbraw/zinc/71/87/00/378718700.db2.gz XXPZYUMOZCROQU-KKUMJFAQSA-N 1 0 261.365 2.889 20 70 CFIDRO C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+][C@H]1CCCSC1 ZINC000159636186 378721256 /nfs/dbraw/zinc/72/12/56/378721256.db2.gz FSIJLUPVAQKCRQ-KBPBESRZSA-N 1 0 292.448 2.913 20 70 CFIDRO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CCn1ccnc1 ZINC000159709476 378725919 /nfs/dbraw/zinc/72/59/19/378725919.db2.gz LHWCJTQQNIGKNK-NSHDSACASA-N 1 0 265.307 2.854 20 70 CFIDRO c1cn(CC[N@@H+]2CCC[C@H]2Cc2ccccc2)cn1 ZINC000159708592 378726121 /nfs/dbraw/zinc/72/61/21/378726121.db2.gz RBBSJSMRGUEZOP-INIZCTEOSA-N 1 0 255.365 2.590 20 70 CFIDRO C[C@@H](CC[NH+](C)C)Nc1ccncc1Br ZINC000159833172 378734205 /nfs/dbraw/zinc/73/42/05/378734205.db2.gz UXWKALOSGQTZFE-VIFPVBQESA-N 1 0 272.190 2.596 20 70 CFIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cccc(C)c1C)CC2 ZINC000160350942 378765322 /nfs/dbraw/zinc/76/53/22/378765322.db2.gz RYEFIMYGXVDAOT-HIFRSBDPSA-N 1 0 284.407 2.869 20 70 CFIDRO C[C@@H]1C[C@@H](NC(=O)NC(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC000160380900 378768835 /nfs/dbraw/zinc/76/88/35/378768835.db2.gz LEHPUYOQHDYEJS-UKRRQHHQSA-N 1 0 289.423 2.747 20 70 CFIDRO CCc1nnc(CN[C@H](C)c2cc(C)cc(C)c2)[nH]1 ZINC000160420228 378770447 /nfs/dbraw/zinc/77/04/47/378770447.db2.gz JXLYREHVHSLDIT-GFCCVEGCSA-N 1 0 258.369 2.835 20 70 CFIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(C)c(C)c1)CC2 ZINC000160414346 378770798 /nfs/dbraw/zinc/77/07/98/378770798.db2.gz XURVSWYOEZYOHA-CJNGLKHVSA-N 1 0 284.407 2.869 20 70 CFIDRO Cc1nc2ccccn2c1CN1CCOC[C@H]1CC(C)C ZINC000160412986 378770888 /nfs/dbraw/zinc/77/08/88/378770888.db2.gz MARLSFVUFJIJBM-OAHLLOKOSA-N 1 0 287.407 2.890 20 70 CFIDRO CCC([NH3+])(CC)CNC(=O)CCc1ccc(Cl)cc1 ZINC000160431224 378772359 /nfs/dbraw/zinc/77/23/59/378772359.db2.gz PTQCLFXVCLYRNC-UHFFFAOYSA-N 1 0 282.815 2.906 20 70 CFIDRO CCc1ccc(/C=C/C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)o1 ZINC000160421711 378772653 /nfs/dbraw/zinc/77/26/53/378772653.db2.gz YTPASTQOPFHZDV-SJXIGLKTSA-N 1 0 290.407 2.796 20 70 CFIDRO COc1ccc(OC)c(C[NH2+][C@H]2CCOC(C)(C)C2)c1 ZINC000160461959 378773516 /nfs/dbraw/zinc/77/35/16/378773516.db2.gz OUVAMFRIHFDCNG-ZDUSSCGKSA-N 1 0 279.380 2.751 20 70 CFIDRO COC(=O)c1cc(C[N@H+](C)Cc2cccc(F)c2)c[nH]1 ZINC000160467273 378773932 /nfs/dbraw/zinc/77/39/32/378773932.db2.gz FPOJKUPQOJPLMT-UHFFFAOYSA-N 1 0 276.311 2.572 20 70 CFIDRO CS[C@H](C)CC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000160481073 378775656 /nfs/dbraw/zinc/77/56/56/378775656.db2.gz PMHJEEWGWXVNHL-BXUZGUMPSA-N 1 0 298.427 2.686 20 70 CFIDRO COc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cc1 ZINC000160488412 378776123 /nfs/dbraw/zinc/77/61/23/378776123.db2.gz FMMUPJKYTSTKSB-OAHLLOKOSA-N 1 0 290.407 2.545 20 70 CFIDRO CC1(C)C[C@H]([NH2+]Cc2cnn(-c3ccccc3)c2)CCO1 ZINC000160508466 378777673 /nfs/dbraw/zinc/77/76/73/378777673.db2.gz HUSADAAWAMZGNF-OAHLLOKOSA-N 1 0 285.391 2.920 20 70 CFIDRO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1ccc([S@](C)=O)cc1 ZINC000160574112 378782167 /nfs/dbraw/zinc/78/21/67/378782167.db2.gz OETAKBAKOXAZHL-VOOFSGFHSA-N 1 0 295.448 2.626 20 70 CFIDRO Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CC(C)(C)O ZINC000160600389 378784986 /nfs/dbraw/zinc/78/49/86/378784986.db2.gz UETPNLVHIMBUHD-VIFPVBQESA-N 1 0 256.415 2.996 20 70 CFIDRO CC(C)OC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000160618464 378785545 /nfs/dbraw/zinc/78/55/45/378785545.db2.gz UFRPFGLDCFFYRS-HNNXBMFYSA-N 1 0 276.380 2.786 20 70 CFIDRO CC1(C)C[C@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)CCO1 ZINC000160644976 378787590 /nfs/dbraw/zinc/78/75/90/378787590.db2.gz GGLGCAWQOITSKW-QGZVFWFLSA-N 1 0 299.418 2.979 20 70 CFIDRO C[C@@H](c1ccccc1)[NH+]1CCN(Cc2ccncc2)CC1 ZINC000161199655 378829396 /nfs/dbraw/zinc/82/93/96/378829396.db2.gz COWRTHQNSNORIC-INIZCTEOSA-N 1 0 281.403 2.960 20 70 CFIDRO CCCOc1ccc(OCC[NH+]2CCC(C)(O)CC2)cc1 ZINC000161221710 378830823 /nfs/dbraw/zinc/83/08/23/378830823.db2.gz BMYJOUZEBDGDCF-UHFFFAOYSA-N 1 0 293.407 2.701 20 70 CFIDRO C[C@H]([NH2+]C[C@H]1CSCCS1)c1cscn1 ZINC000161220955 378831450 /nfs/dbraw/zinc/83/14/50/378831450.db2.gz IIOOCJBRGFNQLQ-IUCAKERBSA-N 1 0 260.453 2.642 20 70 CFIDRO CC[C@H](NC(=O)[C@H]1CCC[NH2+]C1)c1ccc(F)cc1F ZINC000161209582 378831663 /nfs/dbraw/zinc/83/16/63/378831663.db2.gz XAOXASBLRAAMDW-HZMBPMFUSA-N 1 0 282.334 2.532 20 70 CFIDRO C[C@H](CN[C@H](C)c1cnccn1)[N@H+](C)Cc1ccccc1 ZINC000160864386 378803600 /nfs/dbraw/zinc/80/36/00/378803600.db2.gz IPVRAQYKWIQQGC-HUUCEWRRSA-N 1 0 284.407 2.648 20 70 CFIDRO C[C@@H](CN[C@@H](C)c1cnccn1)[N@H+](C)Cc1ccccc1 ZINC000160864026 378803990 /nfs/dbraw/zinc/80/39/90/378803990.db2.gz IPVRAQYKWIQQGC-GJZGRUSLSA-N 1 0 284.407 2.648 20 70 CFIDRO C[C@H](CN[C@@H](C)c1cnccn1)[N@H+](C)Cc1ccccc1 ZINC000160864157 378804332 /nfs/dbraw/zinc/80/43/32/378804332.db2.gz IPVRAQYKWIQQGC-CABCVRRESA-N 1 0 284.407 2.648 20 70 CFIDRO CC[C@@H](C)NC(=O)CC[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000160905127 378808068 /nfs/dbraw/zinc/80/80/68/378808068.db2.gz NZZFNNYPEBUBCX-SNVBAGLBSA-N 1 0 286.778 2.874 20 70 CFIDRO CCC[C@H]([NH2+]CC(=O)NC(C)C)c1ccc(OC)cc1 ZINC000160917450 378809271 /nfs/dbraw/zinc/80/92/71/378809271.db2.gz PKFGQIYVTSZTBC-HNNXBMFYSA-N 1 0 278.396 2.651 20 70 CFIDRO CC(C)[NH+](CCSCC(=O)NCc1ccco1)C(C)C ZINC000160952674 378811165 /nfs/dbraw/zinc/81/11/65/378811165.db2.gz JINJILREPNKHLT-UHFFFAOYSA-N 1 0 298.452 2.748 20 70 CFIDRO C[C@@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1ccco1 ZINC000160947985 378811480 /nfs/dbraw/zinc/81/14/80/378811480.db2.gz VWKXPCKAMKADOB-GFCCVEGCSA-N 1 0 293.388 2.675 20 70 CFIDRO Cc1c(NC(=O)[C@]2(F)CC[NH2+]C2)sc2c1CCCC2 ZINC000160989090 378814909 /nfs/dbraw/zinc/81/49/09/378814909.db2.gz RMWBSRRWUSNBRL-AWEZNQCLSA-N 1 0 282.384 2.575 20 70 CFIDRO CC[NH2+]CC1CCN(C(=O)c2sccc2SC)CC1 ZINC000161005696 378815039 /nfs/dbraw/zinc/81/50/39/378815039.db2.gz ZGDCPQJHKOCHON-UHFFFAOYSA-N 1 0 298.477 2.932 20 70 CFIDRO Cc1ccc(C(=O)CC[N@@H+](C)C[C@H]2CCC[C@@H]2O)cc1 ZINC000161030850 378816559 /nfs/dbraw/zinc/81/65/59/378816559.db2.gz CXTCKACKXZJQKI-CVEARBPZSA-N 1 0 275.392 2.661 20 70 CFIDRO CC[NH2+]CC1CCN(C(=O)C[C@H]2CC[C@@H](C)C2)CC1 ZINC000161095882 378821740 /nfs/dbraw/zinc/82/17/40/378821740.db2.gz RILQLLWBFDEBCY-HIFRSBDPSA-N 1 0 266.429 2.661 20 70 CFIDRO CCC[C@H]([NH3+])C(=O)N[C@@H](C)c1ccc(F)cc1Cl ZINC000161151946 378826163 /nfs/dbraw/zinc/82/61/63/378826163.db2.gz QCLUMPYVQIRWJI-UFBFGSQYSA-N 1 0 272.751 2.784 20 70 CFIDRO CCC[C@H]([NH3+])C(=O)N[C@H](C)c1ccc(F)cc1Cl ZINC000161152177 378826416 /nfs/dbraw/zinc/82/64/16/378826416.db2.gz QCLUMPYVQIRWJI-PELKAZGASA-N 1 0 272.751 2.784 20 70 CFIDRO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@@H](C)CC(N)=O ZINC000161363370 378841031 /nfs/dbraw/zinc/84/10/31/378841031.db2.gz WHXBZOLHGYQJBW-IUCAKERBSA-N 1 0 283.441 2.664 20 70 CFIDRO CCC[NH2+]CCNCc1ccc(Br)cc1 ZINC000161353829 378841587 /nfs/dbraw/zinc/84/15/87/378841587.db2.gz QMIXLCLDMOJUJA-UHFFFAOYSA-N 1 0 271.202 2.538 20 70 CFIDRO C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000161421478 378846107 /nfs/dbraw/zinc/84/61/07/378846107.db2.gz POXOXIYPCFAEPZ-AEGPPILISA-N 1 0 274.408 2.764 20 70 CFIDRO CCc1ccccc1C(=O)NC[C@H](C)[NH+](CC)CC ZINC000161442847 378847473 /nfs/dbraw/zinc/84/74/73/378847473.db2.gz VCQIGULKILVSFG-ZDUSSCGKSA-N 1 0 262.397 2.709 20 70 CFIDRO C[C@H](c1cccnc1)N(C)CCC[NH+]1CCCCC1 ZINC000161460620 378849545 /nfs/dbraw/zinc/84/95/45/378849545.db2.gz ZFVHJMMUQGOIDB-OAHLLOKOSA-N 1 0 261.413 2.950 20 70 CFIDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)cn1 ZINC000161301488 378836928 /nfs/dbraw/zinc/83/69/28/378836928.db2.gz YJVLTURCLCIURB-RNODOKPDSA-N 1 0 288.416 2.978 20 70 CFIDRO CC[C@@H](COC)[NH2+]C[C@@H](C)COCc1ccccc1 ZINC000161310394 378837142 /nfs/dbraw/zinc/83/71/42/378837142.db2.gz OBMARFSISPPUMQ-ZBFHGGJFSA-N 1 0 265.397 2.854 20 70 CFIDRO CCNC(=O)C(C)(C)CNc1cc[nH+]c2cc(F)ccc12 ZINC000161329009 378838782 /nfs/dbraw/zinc/83/87/82/378838782.db2.gz STNOQQYSTZWSFZ-UHFFFAOYSA-N 1 0 289.354 2.948 20 70 CFIDRO CCCC(C)(C)NC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160874442 322344392 /nfs/dbraw/zinc/34/43/92/322344392.db2.gz SJPJKMXIBRZJBL-CYBMUJFWSA-N 1 0 281.444 2.881 20 70 CFIDRO Cc1cc(C[NH2+]CC2C3CC4CC(C3)CC2C4)[nH]n1 ZINC000216850273 382784795 /nfs/dbraw/zinc/78/47/95/382784795.db2.gz IPLRUIUWFQKCIE-UHFFFAOYSA-N 1 0 259.397 2.880 20 70 CFIDRO CC[C@@H](C)[N@H+](C)CCNCc1ccc(OC)c(F)c1 ZINC000217396254 382786353 /nfs/dbraw/zinc/78/63/53/382786353.db2.gz FZIXGLKLCFIGTO-GFCCVEGCSA-N 1 0 268.376 2.654 20 70 CFIDRO CC[C@@H](C)N(C)CC[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000217388176 382786402 /nfs/dbraw/zinc/78/64/02/382786402.db2.gz YDHLGMKRIRYGAO-OAHLLOKOSA-N 1 0 286.423 2.692 20 70 CFIDRO C[C@H](N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc(O)c1 ZINC000217687449 382787273 /nfs/dbraw/zinc/78/72/73/382787273.db2.gz GGXFZWPPOZNQBR-MAZHCROVSA-N 1 0 260.381 2.670 20 70 CFIDRO CSC[C@](C)(O)C[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000217841093 382787804 /nfs/dbraw/zinc/78/78/04/382787804.db2.gz ZTIUEHPPZFVNOP-MRXNPFEDSA-N 1 0 295.448 2.604 20 70 CFIDRO C[C@@H]([NH2+]Cc1cccc2cc[nH]c21)C(=O)NC(C)(C)C ZINC000218157411 382789279 /nfs/dbraw/zinc/78/92/79/382789279.db2.gz FLTLOLIMMWSREN-LLVKDONJSA-N 1 0 273.380 2.561 20 70 CFIDRO CC[C@@H](C)N(C)CC[NH2+]Cc1cccc2cc[nH]c21 ZINC000218184699 382789298 /nfs/dbraw/zinc/78/92/98/382789298.db2.gz URWIUSCOULPDRB-CYBMUJFWSA-N 1 0 259.397 2.988 20 70 CFIDRO C[NH2+][C@@H]1CCN(C(=O)CCCc2cc(C)sc2C)C1 ZINC000160811393 532957063 /nfs/dbraw/zinc/95/70/63/532957063.db2.gz XNQKENCNKJKFFT-CQSZACIVSA-N 1 0 280.437 2.508 20 70 CFIDRO Cc1cccc(OCC[N@@H+](C)C[C@H](O)Cc2ccccc2)c1 ZINC000218763841 393758390 /nfs/dbraw/zinc/75/83/90/393758390.db2.gz NFFRCLXXYQUTLR-GOSISDBHSA-N 1 0 299.414 2.909 20 70 CFIDRO CC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1c1ccc(C)cc1 ZINC000159913046 394366031 /nfs/dbraw/zinc/36/60/31/394366031.db2.gz HEQHISUMHPVZHC-LSDHHAIUSA-N 1 0 260.381 2.786 20 70 CFIDRO CC(C)CC[C@H](NC(=O)[C@@H]1CCC[NH2+]C1)C(C)(C)C ZINC000160072435 394366044 /nfs/dbraw/zinc/36/60/44/394366044.db2.gz QPLYHBOLTODAFA-KGLIPLIRSA-N 1 0 268.445 2.953 20 70 CFIDRO COCC[C@@H](C)[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000161146625 292625856 /nfs/dbraw/zinc/62/58/56/292625856.db2.gz ATMWVINNXLKSHG-PXAZEXFGSA-N 1 0 291.391 2.924 20 70 CFIDRO Cc1ccccc1[C@@H](NC(=O)[C@@H]1CCC[NH2+]C1)C(C)C ZINC000159690089 292643732 /nfs/dbraw/zinc/64/37/32/292643732.db2.gz JXDMYDOHMFEQBZ-ZBFHGGJFSA-N 1 0 274.408 2.808 20 70 CFIDRO COC(C[NH+]1CCC(c2ccccc2C)CC1)OC ZINC000160993475 274012368 /nfs/dbraw/zinc/01/23/68/274012368.db2.gz AZYFHRVMTGLJBD-UHFFFAOYSA-N 1 0 263.381 2.793 20 70 CFIDRO O=C([C@@H]1CCC[NH2+]C1)N1CC2(CCCC2)c2ccccc21 ZINC000161013770 275004645 /nfs/dbraw/zinc/00/46/45/275004645.db2.gz KPIFFNZXXBBQHU-CQSZACIVSA-N 1 0 284.403 2.845 20 70 CFIDRO CC(C)N1CC[C@H]([NH2+][C@H]2CCCc3cc(F)ccc32)C1=O ZINC000159543660 275644504 /nfs/dbraw/zinc/64/45/04/275644504.db2.gz XUNMKYKPQAKHTN-HOTGVXAUSA-N 1 0 290.382 2.802 20 70 CFIDRO CC(C)(O)C[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000160630548 275865709 /nfs/dbraw/zinc/86/57/09/275865709.db2.gz SQONDVABWVDJGJ-ZDUSSCGKSA-N 1 0 261.365 2.793 20 70 CFIDRO CC[C@H](COC)[NH2+][C@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC000159612597 287891252 /nfs/dbraw/zinc/89/12/52/287891252.db2.gz HRABSWQEOAQVOY-TZMCWYRMSA-N 1 0 299.436 2.556 20 70 CFIDRO COCC[C@H](C)[NH2+][C@H]1CCCN(C2CCCCC2)C1 ZINC000160101459 277239367 /nfs/dbraw/zinc/23/93/67/277239367.db2.gz KACDWDMZWHZWBD-GJZGRUSLSA-N 1 0 268.445 2.798 20 70 CFIDRO CC(C)NC(=O)C[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000160927619 277654491 /nfs/dbraw/zinc/65/44/91/277654491.db2.gz SKSJPBIYJFXLPK-ZDUSSCGKSA-N 1 0 296.798 2.668 20 70 CFIDRO CC[C@H]([NH2+][C@@H](C(N)=O)C(C)C)c1ccc(F)cc1F ZINC000160897430 522684255 /nfs/dbraw/zinc/68/42/55/522684255.db2.gz SMKCYINFONRYFN-QWHCGFSZSA-N 1 0 270.323 2.515 20 70 CFIDRO CC(C)[C@@H](c1ccccc1)N(C)C(=O)[C@H]1CCC[NH2+]C1 ZINC000159756807 277767217 /nfs/dbraw/zinc/76/72/17/277767217.db2.gz XNXNVVBESNOFGN-HOTGVXAUSA-N 1 0 274.408 2.842 20 70 CFIDRO COc1ccc2c(c1)C[C@H]([NH2+][C@@H](C)[C@@H]1CCOC1)CC2 ZINC000159563647 277966716 /nfs/dbraw/zinc/96/67/16/277966716.db2.gz XUSMWTUEUQXMME-JGGQBBKZSA-N 1 0 275.392 2.567 20 70 CFIDRO CC(C)(C)CCCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159704728 278311913 /nfs/dbraw/zinc/31/19/13/278311913.db2.gz GUWAMLXEJNPQPG-BETUJISGSA-N 1 0 252.402 2.556 20 70 CFIDRO CC(C)C[C@@H]1CCN(C(=O)C2([NH3+])CCCCC2)C1 ZINC000159613076 279028044 /nfs/dbraw/zinc/02/80/44/279028044.db2.gz OBQBFGVLDFNTME-ZDUSSCGKSA-N 1 0 252.402 2.543 20 70 CFIDRO CC[C@@H]([NH2+]CCN(C)Cc1ccc(F)cc1)[C@H]1CCOC1 ZINC000160135793 280187300 /nfs/dbraw/zinc/18/73/00/280187300.db2.gz HYINQECMUWEGFT-DOTOQJQBSA-N 1 0 294.414 2.662 20 70 CFIDRO C[C@@]1(C(=O)N2CC3(CCCC3)c3ccccc32)CC[NH2+]C1 ZINC000159367986 289125877 /nfs/dbraw/zinc/12/58/77/289125877.db2.gz JABZDEUHCKNFFW-QGZVFWFLSA-N 1 0 284.403 2.845 20 70 CFIDRO COC[C@H](C)[NH2+][C@@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000161043631 293035806 /nfs/dbraw/zinc/03/58/06/293035806.db2.gz YAUZIIIYKIHCEK-BLLLJJGKSA-N 1 0 279.380 2.779 20 70 CFIDRO Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000161293159 302222194 /nfs/dbraw/zinc/22/21/94/302222194.db2.gz MXVQTTPSDPQOQW-OAGGEKHMSA-N 1 0 286.419 2.699 20 70 CFIDRO Cc1nc(C)c(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)s1 ZINC000159475084 322323321 /nfs/dbraw/zinc/32/33/21/322323321.db2.gz MUELZHQHAIWSOM-BNOWGMLFSA-N 1 0 278.421 2.807 20 70 CFIDRO CC[C@H]([NH2+]CCCN1CCCC1=O)c1cccs1 ZINC000159510806 322323651 /nfs/dbraw/zinc/32/36/51/322323651.db2.gz CYBNPTNIMNFWBR-LBPRGKRZSA-N 1 0 266.410 2.801 20 70 CFIDRO C[C@H](C[NH+]1CCCCC1)NC(=O)NCC1(C2CC2)CCC1 ZINC000159612880 322325010 /nfs/dbraw/zinc/32/50/10/322325010.db2.gz DOHXWNRYGCITLC-CQSZACIVSA-N 1 0 293.455 2.740 20 70 CFIDRO CC(C)C(=O)NCCC[NH2+][C@H](C)c1cc(F)ccc1F ZINC000159999643 322331440 /nfs/dbraw/zinc/33/14/40/322331440.db2.gz TWEGJKWCEZIMMF-LLVKDONJSA-N 1 0 284.350 2.778 20 70 CFIDRO CC(C)C(=O)NCCC[NH2+][C@H](C)c1ccc(F)cc1 ZINC000159981359 322331479 /nfs/dbraw/zinc/33/14/79/322331479.db2.gz NJBAEUCFDJLPGL-GFCCVEGCSA-N 1 0 266.360 2.639 20 70 CFIDRO Cc1ccc(CN2CCCC[C@@H]([NH+]3CCCC3)C2)nc1 ZINC000160099241 322332852 /nfs/dbraw/zinc/33/28/52/322332852.db2.gz BQFVIMILEVWGOG-QGZVFWFLSA-N 1 0 273.424 2.840 20 70 CFIDRO CCSCC[C@H](C)[NH2+]C[C@H](O)COc1ccccc1C ZINC000160147154 322333671 /nfs/dbraw/zinc/33/36/71/322333671.db2.gz UJJJNQLFGREYHH-GJZGRUSLSA-N 1 0 297.464 2.856 20 70 CFIDRO CCSCC[C@H](C)[NH2+]C[C@@H](O)COc1ccccc1C ZINC000160147339 322333712 /nfs/dbraw/zinc/33/37/12/322333712.db2.gz UJJJNQLFGREYHH-LSDHHAIUSA-N 1 0 297.464 2.856 20 70 CFIDRO CC(C)CCOc1ccc(C[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000160348156 322336864 /nfs/dbraw/zinc/33/68/64/322336864.db2.gz WIVOHFCTPANSLF-INIZCTEOSA-N 1 0 290.407 2.561 20 70 CFIDRO CCCCNC(=O)CC[N@@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000160393485 322337602 /nfs/dbraw/zinc/33/76/02/322337602.db2.gz IDMWQAUJDUIPIY-INIZCTEOSA-N 1 0 289.423 2.833 20 70 CFIDRO CCn1nc(C)c(C[NH2+][C@@H]2CCOC(C)(C)C2)c1C ZINC000160560398 322339350 /nfs/dbraw/zinc/33/93/50/322339350.db2.gz VJXRHPYSULDDOV-CYBMUJFWSA-N 1 0 265.401 2.567 20 70 CFIDRO CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@H](C)SC ZINC000160645286 322340650 /nfs/dbraw/zinc/34/06/50/322340650.db2.gz UCGWVCLAGCYFRS-STQMWFEESA-N 1 0 274.474 2.755 20 70 CFIDRO CN(C(=O)C1CCC(C)(C)CC1)[C@H]1CCC[N@H+](C)C1 ZINC000160678891 322341005 /nfs/dbraw/zinc/34/10/05/322341005.db2.gz DHUSONYMSBPGGT-AWEZNQCLSA-N 1 0 266.429 2.755 20 70 CFIDRO CC(C)(C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)C1CCCC1 ZINC000160668850 322341025 /nfs/dbraw/zinc/34/10/25/322341025.db2.gz KXXLXYQYNFECRU-ZDUSSCGKSA-N 1 0 278.440 2.803 20 70 CFIDRO CCCn1c(C)nnc1C[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000160704001 322341951 /nfs/dbraw/zinc/34/19/51/322341951.db2.gz CFXKUJUCMXCQOJ-ZIAGYGMSSA-N 1 0 262.401 2.619 20 70 CFIDRO CC(C)S(=O)(=O)CCC[N@H+](C)[C@@H]1CCC[C@H](C)C1 ZINC000160795487 322342980 /nfs/dbraw/zinc/34/29/80/322342980.db2.gz JWLSDGDIUFPGND-UONOGXRCSA-N 1 0 275.458 2.710 20 70 CFIDRO CC[C@H]1CCCCN1C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160886646 322344576 /nfs/dbraw/zinc/34/45/76/322344576.db2.gz XRQIJSDXZCEYMI-CABCVRRESA-N 1 0 293.455 2.977 20 70 CFIDRO CC(C)[NH2+]CCC(=O)N[C@@H](C)[C@@H](C)c1ccccc1 ZINC000160891176 322344997 /nfs/dbraw/zinc/34/49/97/322344997.db2.gz CJMHDGXFBNNULZ-KGLIPLIRSA-N 1 0 262.397 2.683 20 70 CFIDRO CCC[C@]1(C)CCCN(C(=O)CC[NH2+]C(C)C)C1 ZINC000160932816 322345210 /nfs/dbraw/zinc/34/52/10/322345210.db2.gz GIMREZPCWIBBLJ-OAHLLOKOSA-N 1 0 254.418 2.803 20 70 CFIDRO CC(C)NC(=O)C[NH2+][C@@H](C)[C@@H](C)C1CCCCC1 ZINC000160952883 322345603 /nfs/dbraw/zinc/34/56/03/322345603.db2.gz CGXSVNWUPMCZDT-OLZOCXBDSA-N 1 0 254.418 2.706 20 70 CFIDRO CCc1nnc([C@@H](C)N(CC)Cc2ccccn2)o1 ZINC000161041076 322346431 /nfs/dbraw/zinc/34/64/31/322346431.db2.gz QQXOGKHKMCTHDA-LLVKDONJSA-N 1 0 260.341 2.610 20 70 CFIDRO CC(C)[NH2+]CCC(=O)N1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000161245721 322349275 /nfs/dbraw/zinc/34/92/75/322349275.db2.gz SGMCAOYZKNDUMN-DZGCQCFKSA-N 1 0 292.398 2.918 20 70 CFIDRO Cc1ccc(C[NH2+]C2CCN(Cc3ccccn3)CC2)cn1 ZINC000161259184 322349320 /nfs/dbraw/zinc/34/93/20/322349320.db2.gz HQKNVEUHFXLEBP-UHFFFAOYSA-N 1 0 296.418 2.539 20 70 CFIDRO CCC[C@@H]1CCCN(C(=O)NCC[NH+](CC)CC)C1 ZINC000161482792 322352275 /nfs/dbraw/zinc/35/22/75/322352275.db2.gz SPIXBWWLBATFQW-CQSZACIVSA-N 1 0 269.433 2.550 20 70 CFIDRO C[C@H](c1cccnc1)N(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000161493775 322352511 /nfs/dbraw/zinc/35/25/11/322352511.db2.gz YKTKLKVCNRYURP-CQSZACIVSA-N 1 0 297.402 2.976 20 70 CFIDRO CC(C)(C)NC(=O)CC[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000160982069 518724232 /nfs/dbraw/zinc/72/42/32/518724232.db2.gz YHPAJDYIXSQVSR-UHFFFAOYSA-N 1 0 286.778 2.874 20 70 CFIDRO CC(=O)NC1CCC([NH2+]CCCC2CCCC2)CC1 ZINC000161203250 519645066 /nfs/dbraw/zinc/64/50/66/519645066.db2.gz SYKBOHIBCHRHHM-UHFFFAOYSA-N 1 0 266.429 2.994 20 70 CFIDRO CCOC[C@H]1CC[N@H+](Cc2c(C)nc3ccccn32)C1 ZINC000160944336 520179973 /nfs/dbraw/zinc/17/99/73/520179973.db2.gz ULFULOXXCXYAFF-AWEZNQCLSA-N 1 0 273.380 2.501 20 70 CFIDRO CCCCC[C@@H](C)NC(=O)N1CCC[N@H+](CC)CC1 ZINC000159512468 520283022 /nfs/dbraw/zinc/28/30/22/520283022.db2.gz GWJUHVBWXRJAEY-CQSZACIVSA-N 1 0 269.433 2.692 20 70 CFIDRO CC1=C(C(=O)N2CCC([N@H+]3CCC[C@@H]3C)CC2)CCCO1 ZINC000160814382 520793338 /nfs/dbraw/zinc/79/33/38/520793338.db2.gz BOBFXJYAOUTLTQ-ZDUSSCGKSA-N 1 0 292.423 2.546 20 70 CFIDRO CC[NH+](CC)[C@@H](C)CNC(=O)[C@@H](C)c1ccsc1 ZINC000160071373 520827318 /nfs/dbraw/zinc/82/73/18/520827318.db2.gz AAGQRIGMRPXMLM-RYUDHWBXSA-N 1 0 268.426 2.698 20 70 CFIDRO CCOc1ccc(CNCC[N@H+](C)[C@@H](C)CC)cc1 ZINC000217385927 521001376 /nfs/dbraw/zinc/00/13/76/521001376.db2.gz QTBPZDWGEGIULR-AWEZNQCLSA-N 1 0 264.413 2.905 20 70 CFIDRO CCC[N@H+](C)Cc1nnc(-c2ccccc2OC)o1 ZINC000159781218 521500327 /nfs/dbraw/zinc/50/03/27/521500327.db2.gz PLPTVWWCHDAJIO-UHFFFAOYSA-N 1 0 261.325 2.587 20 70 CFIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)CCC(C)C)CC1 ZINC000159514406 521608180 /nfs/dbraw/zinc/60/81/80/521608180.db2.gz LAVXDAIMJLUBGY-AWEZNQCLSA-N 1 0 269.433 2.548 20 70 CFIDRO CCSCC[C@@H](C)NC(=O)c1ccccc1CC[NH2+]C ZINC000160209384 521713270 /nfs/dbraw/zinc/71/32/70/521713270.db2.gz YMPQLKWULIQVEZ-CYBMUJFWSA-N 1 0 294.464 2.710 20 70 CFIDRO CC[C@@H](C)NC(=O)CC[NH2+]Cc1coc2ccccc12 ZINC000159820517 522153838 /nfs/dbraw/zinc/15/38/38/522153838.db2.gz FQKGVRHBGWCZGE-GFCCVEGCSA-N 1 0 274.364 2.827 20 70 CFIDRO CC[C@H](COC)[NH2+]C[C@H](C1CCCCC1)N(C)C ZINC000160418724 522257816 /nfs/dbraw/zinc/25/78/16/522257816.db2.gz AESASXQHYYRRCG-HUUCEWRRSA-N 1 0 256.434 2.512 20 70 CFIDRO COC[C@@H]([NH2+]C[C@H](C1CCCCC1)N(C)C)C1CC1 ZINC000160426382 522357029 /nfs/dbraw/zinc/35/70/29/522357029.db2.gz GPHQPJHSMCMTJM-HZPDHXFCSA-N 1 0 268.445 2.512 20 70 CFIDRO CC[C@@H](Cc1ccccc1)N(C)C(=O)CC1CC[NH2+]CC1 ZINC000161106211 522625962 /nfs/dbraw/zinc/62/59/62/522625962.db2.gz MFFOYPNUPVPYRO-KRWDZBQOSA-N 1 0 288.435 2.856 20 70 CFIDRO COc1cc([C@@H](C)[NH2+]CCN2CCSCC2)ccc1F ZINC000218248138 522904799 /nfs/dbraw/zinc/90/47/99/522904799.db2.gz WHNIPGMXJKCYHH-GFCCVEGCSA-N 1 0 298.427 2.534 20 70 CFIDRO COCc1cccc(C[NH2+]C[C@H]2CCC(C)(C)O2)c1 ZINC000160226663 523053954 /nfs/dbraw/zinc/05/39/54/523053954.db2.gz MZOKZHSGQSFRKP-OAHLLOKOSA-N 1 0 263.381 2.880 20 70 CFIDRO CN(Cc1cc(-c2ccccc2)on1)[C@H](C[NH3+])C1CC1 ZINC000159991442 523159872 /nfs/dbraw/zinc/15/98/72/523159872.db2.gz LLJSNATWJGWTNK-OAHLLOKOSA-N 1 0 271.364 2.511 20 70 CFIDRO CC[C@H](C)[N@H+](C)CCNCc1cc(OC)ccc1OC ZINC000217383055 523921711 /nfs/dbraw/zinc/92/17/11/523921711.db2.gz GHBBJNHXSKGGBY-ZDUSSCGKSA-N 1 0 280.412 2.524 20 70 CFIDRO CN(C(=O)c1cccc(C(F)(F)F)c1)[C@H](C[NH3+])C1CC1 ZINC000159800965 523943633 /nfs/dbraw/zinc/94/36/33/523943633.db2.gz JHKWVZPIJRYQNY-GFCCVEGCSA-N 1 0 286.297 2.515 20 70 CFIDRO Cc1cc(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)c2ccccc2n1 ZINC000159398029 524702994 /nfs/dbraw/zinc/70/29/94/524702994.db2.gz FRVRENSSHHKMOF-SJKOYZFVSA-N 1 0 270.376 2.746 20 70 CFIDRO C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)C[NH2+]CC1CC1 ZINC000159527839 524724060 /nfs/dbraw/zinc/72/40/60/524724060.db2.gz SFYWVOXRYLLPCS-DIFFPNOSSA-N 1 0 290.382 2.565 20 70 CFIDRO Cc1cccc([C@@H]2CCC[N@H+]2C[C@H](O)COCC(C)C)n1 ZINC000160111311 524850981 /nfs/dbraw/zinc/85/09/81/524850981.db2.gz GZYOVYZHTVKBKN-RDJZCZTQSA-N 1 0 292.423 2.560 20 70 CFIDRO COc1ncccc1C[NH2+]Cc1cccc2cc[nH]c21 ZINC000218102004 525061129 /nfs/dbraw/zinc/06/11/29/525061129.db2.gz YVIDANLORKGOKR-UHFFFAOYSA-N 1 0 267.332 2.861 20 70 CFIDRO C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)C[C@@H]1CCC[NH2+]1 ZINC000159806423 525283979 /nfs/dbraw/zinc/28/39/79/525283979.db2.gz KVQIXDHBVFJGFI-XPKDYRNWSA-N 1 0 290.382 2.672 20 70 CFIDRO Cc1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c(C)n1C(C)C ZINC000160719709 526262730 /nfs/dbraw/zinc/26/27/30/526262730.db2.gz NPOKYUVDBSDBMV-GASCZTMLSA-N 1 0 289.423 2.652 20 70 CFIDRO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+][C@@H](C)CC(N)=O ZINC000161363227 526661481 /nfs/dbraw/zinc/66/14/81/526661481.db2.gz WHXBZOLHGYQJBW-DTWKUNHWSA-N 1 0 283.441 2.664 20 70 CFIDRO CC(C)([NH3+])CNC(=O)c1cccc(OC2CCCCC2)c1 ZINC000160004738 527255584 /nfs/dbraw/zinc/25/55/84/527255584.db2.gz YINKCZLILZHZBC-UHFFFAOYSA-N 1 0 290.407 2.865 20 70 CFIDRO O=C(/C=C/c1ccc(Cl)cc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160380497 527607487 /nfs/dbraw/zinc/60/74/87/527607487.db2.gz CMGQVSZPRHRADI-QHLGLPELSA-N 1 0 290.794 2.706 20 70 CFIDRO CC[NH2+]CC1CCN(C(=O)c2cccc3c2CCC3)CC1 ZINC000161002059 528287970 /nfs/dbraw/zinc/28/79/70/528287970.db2.gz YKNALZOKCIMGRS-UHFFFAOYSA-N 1 0 286.419 2.637 20 70 CFIDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C1(CCOC)CC1 ZINC000161183149 528469079 /nfs/dbraw/zinc/46/90/79/528469079.db2.gz HNKIDYQNVSOSSS-HNNXBMFYSA-N 1 0 296.455 2.574 20 70 CFIDRO CC(C)C[C@H]1CCCN(C(=O)C2(C[NH3+])CCCC2)C1 ZINC000161472606 528586621 /nfs/dbraw/zinc/58/66/21/528586621.db2.gz RIKMEKDNALUSJV-CQSZACIVSA-N 1 0 266.429 2.790 20 70 CFIDRO CC[N@@H+]1CCC[C@H]1CNC(=O)CCCc1sccc1C ZINC000159906834 529102943 /nfs/dbraw/zinc/10/29/43/529102943.db2.gz HHWGONFXCIPHQZ-AWEZNQCLSA-N 1 0 294.464 2.980 20 70 CFIDRO Cc1nc2ccccn2c1C[N@H+]1CCS[C@@H](C)[C@@H]1C ZINC000160501881 282091309 /nfs/dbraw/zinc/09/13/09/282091309.db2.gz GGZKXPZOXLXOPQ-STQMWFEESA-N 1 0 275.421 2.969 20 70 CFIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cc(C)cc(C)c1)CC2 ZINC000160304346 282118553 /nfs/dbraw/zinc/11/85/53/282118553.db2.gz WAUHNLWUTJDOFP-CJNGLKHVSA-N 1 0 284.407 2.869 20 70 CFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cc(C)cc(C)c1)CC2 ZINC000160304222 282125651 /nfs/dbraw/zinc/12/56/51/282125651.db2.gz WAUHNLWUTJDOFP-XJKSGUPXSA-N 1 0 284.407 2.869 20 70 CFIDRO CC[C@H](C)N(C)CC[NH2+][C@@H]1CCc2ccccc2C1 ZINC000160077456 529690868 /nfs/dbraw/zinc/69/08/68/529690868.db2.gz DJTHYVGSPGUDFN-WMLDXEAASA-N 1 0 260.425 2.864 20 70 CFIDRO C[C@@]1(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CCCc2ccccc21 ZINC000159996295 232246651 /nfs/dbraw/zinc/24/66/51/232246651.db2.gz CCYSRVUUYBUAGG-JTDSTZFVSA-N 1 0 298.430 2.634 20 70 CFIDRO CC(C)[NH2+]CCC(=O)NC[C@@H](C)c1ccc(F)cc1F ZINC000159492817 348012513 /nfs/dbraw/zinc/01/25/13/348012513.db2.gz NCRDPAVGTLTPNS-LLVKDONJSA-N 1 0 284.350 2.573 20 70 CFIDRO Cc1csc(NC(=O)C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)n1 ZINC000159693364 348014525 /nfs/dbraw/zinc/01/45/25/348014525.db2.gz GXQBPWDPAXQMCA-RYUDHWBXSA-N 1 0 279.409 2.655 20 70 CFIDRO CC[N@H+](CCNC(=O)[C@@H](C)c1ccsc1)C(C)C ZINC000160178065 348016189 /nfs/dbraw/zinc/01/61/89/348016189.db2.gz RRIQOIINJFEHIL-LBPRGKRZSA-N 1 0 268.426 2.698 20 70 CFIDRO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H](CCO)CSC ZINC000160361009 348017284 /nfs/dbraw/zinc/01/72/84/348017284.db2.gz PTOLCWQEXOMFOW-BBRMVZONSA-N 1 0 295.448 2.776 20 70 CFIDRO CSCc1cc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)ccc1F ZINC000160806320 348021300 /nfs/dbraw/zinc/02/13/00/348021300.db2.gz ZGZMWLHIFPUFDO-QWHCGFSZSA-N 1 0 296.411 2.688 20 70 CFIDRO COC[C@@H]([NH2+]C[C@@H](C)N1CCc2sccc2C1)C1CC1 ZINC000159885841 292836516 /nfs/dbraw/zinc/83/65/16/292836516.db2.gz LJCXNIRWJPTGIQ-IUODEOHRSA-N 1 0 294.464 2.509 20 70 CFIDRO Cc1nc(Cl)ccc1C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000159375384 188422295 /nfs/dbraw/zinc/42/22/95/188422295.db2.gz GUCCNQZHMVYGIE-NSHDSACASA-N 1 0 295.814 2.505 20 70 CFIDRO CC(C)[C@@H](CC(=O)NCC(C)(C)[NH3+])c1ccccc1 ZINC000159940996 188448396 /nfs/dbraw/zinc/44/83/96/188448396.db2.gz YXBGXVPFJJRLMS-CQSZACIVSA-N 1 0 262.397 2.670 20 70 CFIDRO CCOc1cccc(C[NH2+]CCC(OCC)OCC)c1 ZINC000159534919 188429966 /nfs/dbraw/zinc/42/99/66/188429966.db2.gz FYBBEKSMCUYXCB-UHFFFAOYSA-N 1 0 281.396 2.964 20 70 CFIDRO COc1cccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000159616913 188435024 /nfs/dbraw/zinc/43/50/24/188435024.db2.gz GEFCQYZJMLABQL-XHSDSOJGSA-N 1 0 273.376 2.742 20 70 CFIDRO CC1(C)C[C@H]([NH2+]Cc2ccc(N3CCCC3)nc2)CCO1 ZINC000160468574 188474195 /nfs/dbraw/zinc/47/41/95/188474195.db2.gz TVGQOLATDDZRLY-OAHLLOKOSA-N 1 0 289.423 2.729 20 70 CFIDRO CC1(C)C[C@H]([NH2+]Cc2ccc(-n3cccn3)cc2)CCO1 ZINC000160511870 188477171 /nfs/dbraw/zinc/47/71/71/188477171.db2.gz WHSYCCMVPRGTNI-OAHLLOKOSA-N 1 0 285.391 2.920 20 70 CFIDRO COc1ccc(C[N@H+](C)C[C@H]2CCOC2)cc1Cl ZINC000160685407 188486597 /nfs/dbraw/zinc/48/65/97/188486597.db2.gz HDFNFLIEPPDYOS-GFCCVEGCSA-N 1 0 269.772 2.817 20 70 CFIDRO CSc1ccc([C@H](C)[NH2+]CC(C)(C)O)cc1F ZINC000160609640 188483096 /nfs/dbraw/zinc/48/30/96/188483096.db2.gz GNCRRGRWROSHBN-VIFPVBQESA-N 1 0 257.374 2.969 20 70 CFIDRO CC(=O)NC1CCC([NH2+][C@@H](C)Cc2ccccc2F)CC1 ZINC000161343301 188522817 /nfs/dbraw/zinc/52/28/17/188522817.db2.gz MHPXZLJXGQKFFN-JQRITLKVSA-N 1 0 292.398 2.794 20 70 CFIDRO C[C@@H]([NH2+]CC1(c2ccc(F)cc2)CC1)c1cnn(C)c1 ZINC000161361206 188524199 /nfs/dbraw/zinc/52/41/99/188524199.db2.gz MYVJZVIYPJVROM-GFCCVEGCSA-N 1 0 273.355 2.942 20 70 CFIDRO COC[C@@H](Cc1ccccc1)[NH2+]C[C@H](CO)c1ccccc1 ZINC000161497517 188530866 /nfs/dbraw/zinc/53/08/66/188530866.db2.gz QCJPNJWXLOBVHJ-RTBURBONSA-N 1 0 299.414 2.610 20 70 CFIDRO Cc1oc(C)c(C(=O)NCC2([NH3+])CCCCC2)c1C ZINC000159665883 540660580 /nfs/dbraw/zinc/66/05/80/540660580.db2.gz PIBYWAKUVDJYQH-UHFFFAOYSA-N 1 0 264.369 2.596 20 70 CFIDRO CCCn1nccc1CNC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000160113270 540668427 /nfs/dbraw/zinc/66/84/27/540668427.db2.gz FCZKKDZPKGZXHY-WBVHZDCISA-N 1 0 292.471 2.893 20 70 CFIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)CC2CCCCCC2)C1 ZINC000160890632 540682353 /nfs/dbraw/zinc/68/23/53/540682353.db2.gz QQEUOVGZPVHXNS-KGLIPLIRSA-N 1 0 252.402 2.733 20 70 CFIDRO [NH3+][C@H]1CCC[C@H](NC(=O)COc2ccc3ccccc3c2)C1 ZINC000161188446 540690120 /nfs/dbraw/zinc/69/01/20/540690120.db2.gz GEVHBDIBAQXVFD-HOTGVXAUSA-N 1 0 298.386 2.605 20 70 CFIDRO C[NH2+]C[C@H]1CCN(C(=O)c2cc3ccc(F)cc3s2)C1 ZINC000161202204 540690635 /nfs/dbraw/zinc/69/06/35/540690635.db2.gz KOSUPCPTMYLNBB-SNVBAGLBSA-N 1 0 292.379 2.722 20 70 CFIDRO Cc1nc(-c2ccco2)ccc1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161208363 540690680 /nfs/dbraw/zinc/69/06/80/540690680.db2.gz FOMGANHMLDAMEF-QWHCGFSZSA-N 1 0 299.374 2.650 20 70 CFIDRO CCO[C@@H]1C[C@H](NC(=O)CC2([NH3+])CCC2)C12CCCCC2 ZINC000161182142 540690551 /nfs/dbraw/zinc/69/05/51/540690551.db2.gz QVNMFQLHSJATKU-UONOGXRCSA-N 1 0 294.439 2.502 20 70 CFIDRO [NH3+]C[C@H]1CCCCN1C(=O)c1cc2ccc(F)cc2s1 ZINC000161199260 540690556 /nfs/dbraw/zinc/69/05/56/540690556.db2.gz JYDCUVRHROGXAT-GFCCVEGCSA-N 1 0 292.379 2.994 20 70 CFIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000161393053 540692709 /nfs/dbraw/zinc/69/27/09/540692709.db2.gz IHSJYNHIQMSXLB-VXGBXAGGSA-N 1 0 286.297 2.705 20 70 CFIDRO CC[C@H](Oc1cccc(C)c1)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161226420 540690832 /nfs/dbraw/zinc/69/08/32/540690832.db2.gz DKFGQECWYHXQOJ-LZWOXQAQSA-N 1 0 290.407 2.539 20 70 CFIDRO CC(C)CC1(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CCC1 ZINC000161249010 540691530 /nfs/dbraw/zinc/69/15/30/540691530.db2.gz RQADTXRZNWEWAZ-OLZOCXBDSA-N 1 0 252.402 2.589 20 70 CFIDRO CC(C)OC1CCC(NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000159382339 540991498 /nfs/dbraw/zinc/99/14/98/540991498.db2.gz MYOSEBVJQBOBLN-UHFFFAOYSA-N 1 0 296.455 2.571 20 70 CFIDRO CCC(C)(CC)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000159494903 540996471 /nfs/dbraw/zinc/99/64/71/540996471.db2.gz XQJIEEXZKPVZFY-UONOGXRCSA-N 1 0 266.429 2.755 20 70 CFIDRO CCn1nccc1C[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000159975374 541019192 /nfs/dbraw/zinc/01/91/92/541019192.db2.gz NBQZAJHMKHUIJY-HNNXBMFYSA-N 1 0 284.407 2.519 20 70 CFIDRO CCn1nccc1C[NH2+]Cc1ccc(OC(C)C)cc1 ZINC000159963226 541019217 /nfs/dbraw/zinc/01/92/17/541019217.db2.gz VQINGSOAZNCSCQ-UHFFFAOYSA-N 1 0 273.380 2.980 20 70 CFIDRO Fc1ccc(-c2cnn(C3CC[NH2+]CC3)c2)c(F)c1 ZINC000216966435 541021079 /nfs/dbraw/zinc/02/10/79/541021079.db2.gz OZPUXUPFESGINM-UHFFFAOYSA-N 1 0 263.291 2.753 20 70 CFIDRO CCc1cc(=O)[nH]c(C[N@H+](CCC(C)C)C2CC2)n1 ZINC000160757495 541470461 /nfs/dbraw/zinc/47/04/61/541470461.db2.gz GHCBQLZKYATYQM-UHFFFAOYSA-N 1 0 263.385 2.755 20 70 CFIDRO CC[C@H](C(=O)NC1CCC(C(C)C)CC1)[NH+](C)C ZINC000161244265 541570896 /nfs/dbraw/zinc/57/08/96/541570896.db2.gz HURQDOFMEORGFN-JXQTWKCFSA-N 1 0 254.418 2.658 20 70 CFIDRO CS(=O)(=O)CCCC[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000161328348 541586152 /nfs/dbraw/zinc/58/61/52/541586152.db2.gz OHLMOPFLTSHXIW-MRXNPFEDSA-N 1 0 295.448 2.518 20 70 CFIDRO C[C@@H](NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)c1cnn(C)c1 ZINC000217458230 296134703 /nfs/dbraw/zinc/13/47/03/296134703.db2.gz MIBUEBPPMPDQPD-FMKPAKJESA-N 1 0 278.444 2.581 20 70 CFIDRO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CCn1ccnc1 ZINC000159837624 378734485 /nfs/dbraw/zinc/73/44/85/378734485.db2.gz NPVJFFULTYRVHH-HIFRSBDPSA-N 1 0 273.355 2.900 20 70 CFIDRO CCCC[C@@H](CC)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159891694 378736798 /nfs/dbraw/zinc/73/67/98/378736798.db2.gz FANXCTKHGDYZJE-MCIONIFRSA-N 1 0 252.402 2.556 20 70 CFIDRO COc1ccc(C[NH2+]C2(C)CCC2)c(OC)c1OC ZINC000159915322 378737651 /nfs/dbraw/zinc/73/76/51/378737651.db2.gz JLXJLNLIDLAQII-UHFFFAOYSA-N 1 0 265.353 2.745 20 70 CFIDRO C[C@H]([NH2+]CCC(C)(C)O)c1cnn(Cc2ccccc2)c1 ZINC000159964025 378740815 /nfs/dbraw/zinc/74/08/15/378740815.db2.gz YARJVHOLDQKXJS-AWEZNQCLSA-N 1 0 287.407 2.743 20 70 CFIDRO C[C@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1cncs1 ZINC000159959528 378741059 /nfs/dbraw/zinc/74/10/59/378741059.db2.gz GJSJPTUFXCHILP-JOYOIKCWSA-N 1 0 268.407 2.763 20 70 CFIDRO CN(Cc1ncc(-c2ccccc2)o1)[C@@H](C[NH3+])C1CC1 ZINC000160064458 378744727 /nfs/dbraw/zinc/74/47/27/378744727.db2.gz NFSZLSZSCOQWEP-AWEZNQCLSA-N 1 0 271.364 2.511 20 70 CFIDRO CN(Cc1csc(-c2ccco2)n1)[C@H](C[NH3+])C1CC1 ZINC000160077515 378746772 /nfs/dbraw/zinc/74/67/72/378746772.db2.gz RZEYWYPQCTYDIP-GFCCVEGCSA-N 1 0 277.393 2.572 20 70 CFIDRO O=C(C[C@H]1CCC[NH2+]1)N1CC2(CCCC2)c2ccccc21 ZINC000159370072 378705071 /nfs/dbraw/zinc/70/50/71/378705071.db2.gz UWIZBMSGWAKHAT-CQSZACIVSA-N 1 0 284.403 2.987 20 70 CFIDRO CC[C@@H]([NH2+]CCN(C)CCOC)c1ccc(F)cc1F ZINC000159376251 378705368 /nfs/dbraw/zinc/70/53/68/378705368.db2.gz IGAIOCUFQMCWHS-OAHLLOKOSA-N 1 0 286.366 2.584 20 70 CFIDRO [NH3+]C1(CNC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)CCCCC1 ZINC000159466850 378710266 /nfs/dbraw/zinc/71/02/66/378710266.db2.gz IQTVMLBTJJKHDK-CABCVRRESA-N 1 0 290.382 2.707 20 70 CFIDRO COCc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000159590944 378719074 /nfs/dbraw/zinc/71/90/74/378719074.db2.gz ZFYJWONRNCFNHY-BBWFWOEESA-N 1 0 287.403 2.880 20 70 CFIDRO Cc1n[nH]c(C)c1C[NH2+][C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000159589416 378719134 /nfs/dbraw/zinc/71/91/34/378719134.db2.gz LZWMNITWLGYTJZ-SBKAZYGRSA-N 1 0 291.420 2.615 20 70 CFIDRO [NH3+][C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)C1 ZINC000160199448 378755992 /nfs/dbraw/zinc/75/59/92/378755992.db2.gz NBLJXZHRQCQUGC-JHJVBQTASA-N 1 0 299.201 2.657 20 70 CFIDRO CC[N@@H+]1CCCN(C(=O)NCc2ccc(C)cc2C)CC1 ZINC000159703273 378724568 /nfs/dbraw/zinc/72/45/68/378724568.db2.gz PUOGSGGPTBUTGE-UHFFFAOYSA-N 1 0 289.423 2.541 20 70 CFIDRO C[NH+](C)[C@@H](CNC(=O)NC1(C)CCC1)c1ccc(F)cc1 ZINC000159716071 378726489 /nfs/dbraw/zinc/72/64/89/378726489.db2.gz SDRTVQOKSQSNJT-AWEZNQCLSA-N 1 0 293.386 2.670 20 70 CFIDRO O=C([C@@H]1CCC[NH2+]C1)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000159812063 378731389 /nfs/dbraw/zinc/73/13/89/378731389.db2.gz VGPJCTIKHFPVKK-KGLIPLIRSA-N 1 0 292.810 2.656 20 70 CFIDRO C[C@H](C[NH2+][C@@H](C)c1cnn(C)c1)N1CCc2ccccc2C1 ZINC000159809096 378731413 /nfs/dbraw/zinc/73/14/13/378731413.db2.gz DWCYNWDWOZWLKH-CABCVRRESA-N 1 0 298.434 2.518 20 70 CFIDRO CCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccccc2C)C1 ZINC000159819737 378731470 /nfs/dbraw/zinc/73/14/70/378731470.db2.gz QWZKGNDDNZEPHV-UONOGXRCSA-N 1 0 260.381 2.657 20 70 CFIDRO CCCOc1cccc(C[NH+]2CCC(CC(N)=O)CC2)c1 ZINC000159809001 378732715 /nfs/dbraw/zinc/73/27/15/378732715.db2.gz UFSUBCBWFVMKLJ-UHFFFAOYSA-N 1 0 290.407 2.563 20 70 CFIDRO [NH3+]C[C@H]1CCCN1C(=O)CSCc1ccc(Cl)cc1 ZINC000160273206 378760767 /nfs/dbraw/zinc/76/07/67/378760767.db2.gz CAUAUSSINMPTJZ-CYBMUJFWSA-N 1 0 298.839 2.523 20 70 CFIDRO CCC([NH3+])(CC)CNC(=O)[C@H](C)SCc1ccccc1 ZINC000160433808 378772042 /nfs/dbraw/zinc/77/20/42/378772042.db2.gz YEGBDQWLJMROBN-ZDUSSCGKSA-N 1 0 294.464 2.942 20 70 CFIDRO CCC([NH3+])(CC)CNC(=O)C[C@@H](C)c1ccccc1 ZINC000160467969 378773673 /nfs/dbraw/zinc/77/36/73/378773673.db2.gz RGVUMGWOVKDSFD-CYBMUJFWSA-N 1 0 262.397 2.814 20 70 CFIDRO Cc1ccc(CN(C)CCC[NH+]2CCCCC2)o1 ZINC000160464058 378773704 /nfs/dbraw/zinc/77/37/04/378773704.db2.gz PHJXGJMQGTVDMJ-UHFFFAOYSA-N 1 0 250.386 2.896 20 70 CFIDRO COc1ccccc1C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160799406 378800169 /nfs/dbraw/zinc/80/01/69/378800169.db2.gz HIHSZJTXGMJFPO-NVXWUHKLSA-N 1 0 275.392 2.822 20 70 CFIDRO CC(C)(CCc1ccccc1)NC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000160808288 378800261 /nfs/dbraw/zinc/80/02/61/378800261.db2.gz VNEGOBOOWLBDIM-MRXNPFEDSA-N 1 0 288.435 2.904 20 70 CFIDRO [NH3+][C@@H]1CCC[C@@H](C(=O)NCCc2cc3ccccc3o2)C1 ZINC000160487088 378775408 /nfs/dbraw/zinc/77/54/08/378775408.db2.gz PLWPKODGETWBRV-ZIAGYGMSSA-N 1 0 286.375 2.609 20 70 CFIDRO Cc1cccc([C@H](C)[NH2+]CC(=O)NCC(F)(F)F)c1C ZINC000160536482 378778968 /nfs/dbraw/zinc/77/89/68/378778968.db2.gz KQEBZLZFXUCZBL-NSHDSACASA-N 1 0 288.313 2.633 20 70 CFIDRO Cc1ccc(CN(C(=O)C[NH2+]CC2CC2)C2CC2)cc1C ZINC000160549792 378780505 /nfs/dbraw/zinc/78/05/05/378780505.db2.gz PJCQVIFFUVSJAR-UHFFFAOYSA-N 1 0 286.419 2.794 20 70 CFIDRO CC[C@@H](COC)[NH2+]Cc1ccc(N2CCCCCC2)nc1 ZINC000160553024 378780804 /nfs/dbraw/zinc/78/08/04/378780804.db2.gz WQFUTHYAKOWEBG-INIZCTEOSA-N 1 0 291.439 2.977 20 70 CFIDRO NC(=O)c1c[nH+]ccc1N[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000160550111 378780948 /nfs/dbraw/zinc/78/09/48/378780948.db2.gz NJBHLVLQAGHWIN-CJNGLKHVSA-N 1 0 297.358 2.513 20 70 CFIDRO CC[C@H](Oc1ccccc1C)C(=O)NCC([NH3+])(CC)CC ZINC000160561222 378782149 /nfs/dbraw/zinc/78/21/49/378782149.db2.gz PWSAKAVSDVNNKC-AWEZNQCLSA-N 1 0 292.423 2.786 20 70 CFIDRO C[C@@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1ccc([S@](C)=O)cc1 ZINC000160574242 378782394 /nfs/dbraw/zinc/78/23/94/378782394.db2.gz OETAKBAKOXAZHL-ZWBYBESUSA-N 1 0 295.448 2.626 20 70 CFIDRO CCc1ccc([C@H](C)[NH2+]CC(=O)NCC(F)(F)F)s1 ZINC000160619006 378786697 /nfs/dbraw/zinc/78/66/97/378786697.db2.gz FWPSDFRPEVOYEN-QMMMGPOBSA-N 1 0 294.342 2.640 20 70 CFIDRO COc1cc(OC)c([C@@H](C)[NH2+]CC(C)(C)O)cc1Cl ZINC000160642686 378787969 /nfs/dbraw/zinc/78/79/69/378787969.db2.gz NOKIFWDSZIBCGF-SECBINFHSA-N 1 0 287.787 2.779 20 70 CFIDRO COc1cccc([C@@H](O)C[NH2+][C@@H](C)c2ccco2)c1 ZINC000160783581 378798468 /nfs/dbraw/zinc/79/84/68/378798468.db2.gz DUZDQQYBPNTQDK-FZMZJTMJSA-N 1 0 261.321 2.672 20 70 CFIDRO CS[C@@H](C)CC(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000160219360 378758453 /nfs/dbraw/zinc/75/84/53/378758453.db2.gz OXFRDQXGYOEBRJ-LBPRGKRZSA-N 1 0 296.436 2.707 20 70 CFIDRO CCCOc1ccc(C[NH2+]Cc2cnn(C)c2C)cc1 ZINC000160244404 378759338 /nfs/dbraw/zinc/75/93/38/378759338.db2.gz MGNSIAHKNFWFDO-UHFFFAOYSA-N 1 0 273.380 2.807 20 70 CFIDRO CCC(CC)(C[NH3+])C(=O)NC[C@H](C)Oc1ccc(C)cc1 ZINC000161179865 378829862 /nfs/dbraw/zinc/82/98/62/378829862.db2.gz VCQSJNWKAWSNBA-AWEZNQCLSA-N 1 0 292.423 2.644 20 70 CFIDRO CCC(CC)(C[NH3+])C(=O)NC[C@H](C)c1cccc(C)c1 ZINC000161242633 378833046 /nfs/dbraw/zinc/83/30/46/378833046.db2.gz OHVHTWCBHLOLED-AWEZNQCLSA-N 1 0 276.424 2.980 20 70 CFIDRO COC(C[N@@H+]1C[C@H](C)C[C@@H]1c1cccc(F)c1)OC ZINC000161271147 378834796 /nfs/dbraw/zinc/83/47/96/378834796.db2.gz LRHPOJPLFVQBHN-BXUZGUMPSA-N 1 0 267.344 2.828 20 70 CFIDRO CC[N@H+](CCCS(=O)(=O)C(C)C)CCc1ccccc1 ZINC000160878001 378805427 /nfs/dbraw/zinc/80/54/27/378805427.db2.gz SDRXOJWYNIQODN-UHFFFAOYSA-N 1 0 297.464 2.764 20 70 CFIDRO CC[C@H](COC)[NH2+][C@H](CCCO)c1ccccc1 ZINC000160883875 378806192 /nfs/dbraw/zinc/80/61/92/378806192.db2.gz MLAJPVOYFWJPJU-HUUCEWRRSA-N 1 0 251.370 2.515 20 70 CFIDRO C[C@@H](CN1CCCC1=O)[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000160901736 378807943 /nfs/dbraw/zinc/80/79/43/378807943.db2.gz UNAAEJYTWBYYKD-JTQLQIEISA-N 1 0 284.762 2.580 20 70 CFIDRO CC(C)NC(=O)C[NH2+][C@H]1CCCOc2ccc(Cl)cc21 ZINC000160913211 378809074 /nfs/dbraw/zinc/80/90/74/378809074.db2.gz WTOQEXRAKCUQDK-ZDUSSCGKSA-N 1 0 296.798 2.668 20 70 CFIDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(-n3cnnn3)cc2)s1 ZINC000160944134 378811103 /nfs/dbraw/zinc/81/11/03/378811103.db2.gz DKCKBPNVMYYLKR-LBPRGKRZSA-N 1 0 299.403 2.883 20 70 CFIDRO C[C@@H]([NH3+])C(=O)N[C@H](C)c1cccc(Cl)c1Cl ZINC000160986347 378813512 /nfs/dbraw/zinc/81/35/12/378813512.db2.gz NBARJVOQTJUJBK-RNFRBKRXSA-N 1 0 261.152 2.518 20 70 CFIDRO CC(=O)NC1CCC([NH2+][C@H]2CCCc3occc32)CC1 ZINC000161277238 378835556 /nfs/dbraw/zinc/83/55/56/378835556.db2.gz VOCKGSIZDOMQGA-PIMMBPRGSA-N 1 0 276.380 2.694 20 70 CFIDRO CC[NH2+]CC1CCN(C(=O)C[C@H]2CC[C@H](C)C2)CC1 ZINC000161095644 378820926 /nfs/dbraw/zinc/82/09/26/378820926.db2.gz RILQLLWBFDEBCY-ZFWWWQNUSA-N 1 0 266.429 2.661 20 70 CFIDRO CC(C)[C@H]([NH3+])C(=O)N[C@H](C)c1ccc(F)cc1Cl ZINC000161153014 378826560 /nfs/dbraw/zinc/82/65/60/378826560.db2.gz NBBBAEFBXKYTQF-PELKAZGASA-N 1 0 272.751 2.640 20 70 CFIDRO CC[C@@H](C(=O)Nc1cc(C2CCCCC2)nn1C)[NH+](C)C ZINC000161423483 378846516 /nfs/dbraw/zinc/84/65/16/378846516.db2.gz RJURGCGGWKTNBE-AWEZNQCLSA-N 1 0 292.427 2.747 20 70 CFIDRO CN1CCC([NH2+][C@H]2CCCOc3ccc(F)cc32)CC1 ZINC000161444215 378847216 /nfs/dbraw/zinc/84/72/16/378847216.db2.gz KIAIWHLRHOPAOC-HNNXBMFYSA-N 1 0 278.371 2.723 20 70 CFIDRO CCOC(=O)[C@H]1CC[C@H]([NH2+]Cc2ccco2)C[C@@H]1C ZINC000161481044 378851316 /nfs/dbraw/zinc/85/13/16/378851316.db2.gz SOFMJNFLZMULJW-OBJOEFQTSA-N 1 0 265.353 2.737 20 70 CFIDRO Cc1nccc(NC[C@H]2CCC[N@@H+](CC(C)C)C2)n1 ZINC000161296284 378838025 /nfs/dbraw/zinc/83/80/25/378838025.db2.gz GXRSNLWUPORWPC-CQSZACIVSA-N 1 0 262.401 2.565 20 70 CFIDRO CC[C@H]([NH3+])C(=O)NCC(C)(C)CCCc1ccccc1 ZINC000160122390 322332905 /nfs/dbraw/zinc/33/29/05/322332905.db2.gz FEHSVFXRZHKOBB-HNNXBMFYSA-N 1 0 276.424 2.889 20 70 CFIDRO O=C1CCCN1CCC[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000159474499 296318429 /nfs/dbraw/zinc/31/84/29/296318429.db2.gz VRILVCZLCGEBKM-KRWDZBQOSA-N 1 0 286.419 2.610 20 70 CFIDRO CC[C@@H](C)N(C)CC[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000217374104 382786205 /nfs/dbraw/zinc/78/62/05/382786205.db2.gz FUBFZYGBADIELY-OAHLLOKOSA-N 1 0 286.423 2.692 20 70 CFIDRO Fc1ccc(CN[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1F ZINC000217646577 382787636 /nfs/dbraw/zinc/78/76/36/382787636.db2.gz XANZZVOGYYUKGA-GJZGRUSLSA-N 1 0 266.335 2.681 20 70 CFIDRO C[C@H](Cc1ccccc1F)[NH2+]CCNC(=O)OC(C)(C)C ZINC000218126782 382789552 /nfs/dbraw/zinc/78/95/52/382789552.db2.gz BQWZKMZKFWTALZ-GFCCVEGCSA-N 1 0 296.386 2.871 20 70 CFIDRO CC(C)[C@@H](C[NH2+]Cc1ccnn1C)c1ccccc1 ZINC000218233919 382789781 /nfs/dbraw/zinc/78/97/81/382789781.db2.gz WNQPFHUOINAYLN-MRXNPFEDSA-N 1 0 257.381 2.950 20 70 CFIDRO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCNC(=O)C1CC1 ZINC000218576468 393758621 /nfs/dbraw/zinc/75/86/21/393758621.db2.gz RPZRYEYXGPNLFC-YUELXQCFSA-N 1 0 266.429 2.563 20 70 CFIDRO CCS[C@@H]1CCC[C@H]([NH2+][C@@H]2CCN(C)C[C@@H]2C)C1 ZINC000159405614 394365652 /nfs/dbraw/zinc/36/56/52/394365652.db2.gz IWIPOTOUORYIKL-BYNSBNAKSA-N 1 0 270.486 2.981 20 70 CFIDRO CC(C)([NH3+])CNC(=O)CCSc1ccc(Cl)cc1 ZINC000160010240 394366151 /nfs/dbraw/zinc/36/61/51/394366151.db2.gz FXCMPZDDEMIQTD-UHFFFAOYSA-N 1 0 286.828 2.676 20 70 CFIDRO CSC[C@H](CCO)[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000160153710 286681558 /nfs/dbraw/zinc/68/15/58/286681558.db2.gz NUJQIVGMGSUYQN-GXTWGEPZSA-N 1 0 269.385 2.517 20 70 CFIDRO C[C@@H](C[NH2+][C@H]1CCCc2ccc(O)cc21)N(C)C1CC1 ZINC000217560219 274225805 /nfs/dbraw/zinc/22/58/05/274225805.db2.gz PRAKNHIEYHHTJA-SJCJKPOMSA-N 1 0 274.408 2.842 20 70 CFIDRO CC(C)(O)C[NH2+]C1CCN(c2ccc(Cl)cc2)CC1 ZINC000160616411 275555131 /nfs/dbraw/zinc/55/51/31/275555131.db2.gz JQRVPOZTRZHQPQ-UHFFFAOYSA-N 1 0 282.815 2.669 20 70 CFIDRO CCC[C@@]1(C)CCCN(C(=O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000160932397 276036293 /nfs/dbraw/zinc/03/62/93/276036293.db2.gz KJINLIFFTIIGIT-WMZOPIPTSA-N 1 0 288.435 2.985 20 70 CFIDRO CC(C)c1ccc(N(C)C(=O)[C@@H]2CCCC[NH2+]2)cc1 ZINC000161458702 276054175 /nfs/dbraw/zinc/05/41/75/276054175.db2.gz ANFUNKAAIZLLET-HNNXBMFYSA-N 1 0 260.381 2.915 20 70 CFIDRO CCC[C@H]([NH2+]CC(C)(C)O)c1ccc(OC)cc1 ZINC000160595782 276286878 /nfs/dbraw/zinc/28/68/78/276286878.db2.gz KULZSVKNMHBZAW-AWEZNQCLSA-N 1 0 251.370 2.897 20 70 CFIDRO COCc1ccc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000159591099 277611725 /nfs/dbraw/zinc/61/17/25/277611725.db2.gz ZFYJWONRNCFNHY-ULQDDVLXSA-N 1 0 287.403 2.880 20 70 CFIDRO CCC(CC)c1cc(C(=O)NC[C@H](C2CC2)[NH+](C)C)on1 ZINC000161152446 278611710 /nfs/dbraw/zinc/61/17/10/278611710.db2.gz WMKCCVDLWOSXSG-CQSZACIVSA-N 1 0 293.411 2.648 20 70 CFIDRO CC(C)([NH3+])CNC(=O)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000160123875 278628919 /nfs/dbraw/zinc/62/89/19/278628919.db2.gz GMNSHFLYFZODJV-HOTGVXAUSA-N 1 0 282.387 2.797 20 70 CFIDRO CC[C@@H](Cc1ccccc1)N(CC)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000161436747 280160146 /nfs/dbraw/zinc/16/01/46/280160146.db2.gz ZKLBCSDNXTVLGI-IRXDYDNUSA-N 1 0 288.435 2.998 20 70 CFIDRO Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)O)c(Cl)c1 ZINC000159565611 280393119 /nfs/dbraw/zinc/39/31/19/280393119.db2.gz WBQUCSRBZXAFRY-VXGBXAGGSA-N 1 0 298.814 2.596 20 70 CFIDRO C[C@@H](C[NH2+]Cc1ccc2cc[nH]c2c1)N(C)C1CC1 ZINC000217537084 280931714 /nfs/dbraw/zinc/93/17/14/280931714.db2.gz CLLBTIXKKWDXSW-LBPRGKRZSA-N 1 0 257.381 2.740 20 70 CFIDRO CC(=O)NCCC[NH2+]C(C)(C)c1ccc(Cl)cc1 ZINC000159586643 322324855 /nfs/dbraw/zinc/32/48/55/322324855.db2.gz LMUARCNVDKEGQX-UHFFFAOYSA-N 1 0 268.788 2.691 20 70 CFIDRO CC(C)[NH2+]CCC(=O)NC1(c2ccc(Cl)cc2)CC1 ZINC000159801968 322328510 /nfs/dbraw/zinc/32/85/10/322328510.db2.gz CLAMNGUDEIQCQP-UHFFFAOYSA-N 1 0 280.799 2.833 20 70 CFIDRO CCCC[N@H+](C)CCNC(=O)N[C@H](CC)c1nccs1 ZINC000159812640 322328824 /nfs/dbraw/zinc/32/88/24/322328824.db2.gz WMCPLSLJUDPJNO-GFCCVEGCSA-N 1 0 298.456 2.625 20 70 CFIDRO C[C@@H]1CCC[C@@](CNC(=O)NC2(C)CCC2)([NH+](C)C)C1 ZINC000159884148 322329766 /nfs/dbraw/zinc/32/97/66/322329766.db2.gz LPPCAKXBEYWUHX-CZUORRHYSA-N 1 0 281.444 2.739 20 70 CFIDRO CC(C)[N@H+](CCOC[C@H]1CCCO1)CCc1nccs1 ZINC000159943257 322330465 /nfs/dbraw/zinc/33/04/65/322330465.db2.gz OPGMKQKSGBGZEX-CQSZACIVSA-N 1 0 298.452 2.592 20 70 CFIDRO CCCC(=O)Nc1cccc(C[NH2+][C@@H](CC)COC)c1 ZINC000159934571 322330536 /nfs/dbraw/zinc/33/05/36/322330536.db2.gz WVMDTZBYGYQSLC-AWEZNQCLSA-N 1 0 278.396 2.940 20 70 CFIDRO Cc1cccc([C@@H](C)[NH2+]CCCNC(=O)C(C)C)c1 ZINC000159979589 322331073 /nfs/dbraw/zinc/33/10/73/322331073.db2.gz QNDCESWFJDIUII-CQSZACIVSA-N 1 0 262.397 2.808 20 70 CFIDRO CCSCC[C@@H](C)[NH2+]C[C@@H](O)COc1ccccc1 ZINC000160099786 322333023 /nfs/dbraw/zinc/33/30/23/322333023.db2.gz SUWQFNNSCBONCY-ZIAGYGMSSA-N 1 0 283.437 2.548 20 70 CFIDRO CC[C@]1(C)C[C@H]1C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000160204265 322334347 /nfs/dbraw/zinc/33/43/47/322334347.db2.gz DSYWEXQFVKQXJV-YQQAZPJKSA-N 1 0 274.408 2.842 20 70 CFIDRO Cc1cccc([C@H]2CCC[N@@H+]2CCOCC2CC2)n1 ZINC000160241152 322335087 /nfs/dbraw/zinc/33/50/87/322335087.db2.gz OODFEBGCQCCXIL-MRXNPFEDSA-N 1 0 260.381 2.954 20 70 CFIDRO C[C@@H](Cc1cccc(Cl)c1)C(=O)NC1CC[NH+](C)CC1 ZINC000160245140 322335321 /nfs/dbraw/zinc/33/53/21/322335321.db2.gz YUEHCEXSBQVPBN-LBPRGKRZSA-N 1 0 294.826 2.729 20 70 CFIDRO O=C(c1cc2cc(F)ccc2o1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160442419 322337950 /nfs/dbraw/zinc/33/79/50/322337950.db2.gz DAQLDKICCKVQMJ-BETUJISGSA-N 1 0 288.322 2.538 20 70 CFIDRO CCOc1ccc(/C=C/C(=O)NCC([NH3+])(CC)CC)cc1 ZINC000160485820 322338393 /nfs/dbraw/zinc/33/83/93/322338393.db2.gz RXOAYBITICOKRT-FMIVXFBMSA-N 1 0 290.407 2.732 20 70 CFIDRO CC1(C)C[C@H]([NH2+]Cc2cccc3c[nH]nc32)CCO1 ZINC000160590881 322340087 /nfs/dbraw/zinc/34/00/87/322340087.db2.gz MISPUUNLMFTDGS-CYBMUJFWSA-N 1 0 259.353 2.610 20 70 CFIDRO CC(C)[NH2+]CCC(=O)N[C@@H](C)[C@H](C)c1ccccc1 ZINC000160891406 322344569 /nfs/dbraw/zinc/34/45/69/322344569.db2.gz CJMHDGXFBNNULZ-KBPBESRZSA-N 1 0 262.397 2.683 20 70 CFIDRO Cc1ccc(C[C@H](C)N(C)C(=O)CC[NH2+]C(C)C)cc1 ZINC000161156719 322348232 /nfs/dbraw/zinc/34/82/32/322348232.db2.gz DEUGZAUNKPTMPL-HNNXBMFYSA-N 1 0 276.424 2.773 20 70 CFIDRO CCCCC[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161197909 322348508 /nfs/dbraw/zinc/34/85/08/322348508.db2.gz RFPMZRSDKCWERQ-NSHDSACASA-N 1 0 253.308 2.812 20 70 CFIDRO CCC[N@H+](CCO)Cc1cccc(OC)c1OC(C)C ZINC000161222861 322349281 /nfs/dbraw/zinc/34/92/81/322349281.db2.gz VCZQCFALDMEGGK-UHFFFAOYSA-N 1 0 281.396 2.687 20 70 CFIDRO CC[C@H]1CCCC[C@@H]1[NH2+]C1CCC(NC(C)=O)CC1 ZINC000161421593 322351541 /nfs/dbraw/zinc/35/15/41/322351541.db2.gz LDEYWDGHBRYSOG-LBDPXKHJSA-N 1 0 266.429 2.992 20 70 CFIDRO C[C@H](c1ccncc1)N(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000161489447 322352573 /nfs/dbraw/zinc/35/25/73/322352573.db2.gz UWBYGHBJCOMFFS-CQSZACIVSA-N 1 0 297.402 2.976 20 70 CFIDRO CC[C@@H](C)[N@H+](C)CCNCc1cnc(N(CC)CC)s1 ZINC000217397590 522059039 /nfs/dbraw/zinc/05/90/39/522059039.db2.gz WQBYOBQEEHTLKW-CYBMUJFWSA-N 1 0 298.500 2.809 20 70 CFIDRO CC(C)CC[C@@](C)(O)C[NH2+][C@@H](C)c1cncs1 ZINC000159365968 519687961 /nfs/dbraw/zinc/68/79/61/519687961.db2.gz MRGPMLHPNGRZGC-WCQYABFASA-N 1 0 256.415 2.981 20 70 CFIDRO CC(C)c1noc(CCC[NH2+][C@@H](C)C2CCOCC2)n1 ZINC000160826554 519902189 /nfs/dbraw/zinc/90/21/89/519902189.db2.gz OTCRRVJNWOYIKX-LBPRGKRZSA-N 1 0 281.400 2.530 20 70 CFIDRO CCOC[C@@H]1CC[N@H+](Cc2c(C)nc3ccccn32)C1 ZINC000160944214 520132429 /nfs/dbraw/zinc/13/24/29/520132429.db2.gz ULFULOXXCXYAFF-CQSZACIVSA-N 1 0 273.380 2.501 20 70 CFIDRO CCOC(=O)CCC[N@@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000159842851 520640335 /nfs/dbraw/zinc/64/03/35/520640335.db2.gz SRJPWMWQYZRYGX-HNNXBMFYSA-N 1 0 276.380 2.870 20 70 CFIDRO CC[NH+](CC)[C@@H](C)CNC(=O)NCC1(C2CC2)CCC1 ZINC000159598551 520825654 /nfs/dbraw/zinc/82/56/54/520825654.db2.gz QNUVNDKHVZSQLY-ZDUSSCGKSA-N 1 0 281.444 2.596 20 70 CFIDRO CCOc1ccc([C@@H](C)[NH2+][C@H](CCO)CSC)cc1 ZINC000160404082 521226560 /nfs/dbraw/zinc/22/65/60/521226560.db2.gz GARFCEFOFIUSCH-TZMCWYRMSA-N 1 0 283.437 2.850 20 70 CFIDRO CCC(CC)c1cc(C(=O)NC[C@@H]2CC[N@H+](CC)C2)on1 ZINC000161317725 521630426 /nfs/dbraw/zinc/63/04/26/521630426.db2.gz REUIOAFLRUYHOH-LBPRGKRZSA-N 1 0 293.411 2.650 20 70 CFIDRO CCC(CC)c1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)on1 ZINC000160620378 521630876 /nfs/dbraw/zinc/63/08/76/521630876.db2.gz RMTHCKVJJZKQNF-BETUJISGSA-N 1 0 291.395 2.545 20 70 CFIDRO CCCN(CC[NH+](CC)CC)C(=O)Nc1cc(C)on1 ZINC000160546159 521659743 /nfs/dbraw/zinc/65/97/43/521659743.db2.gz ZNVIATSKUFWRPS-UHFFFAOYSA-N 1 0 282.388 2.569 20 70 CFIDRO CCSCc1cccc(NC(=O)[C@H]([NH3+])CCSC)c1 ZINC000161481687 521718489 /nfs/dbraw/zinc/71/84/89/521718489.db2.gz QZUQZNFILAGNDM-CYBMUJFWSA-N 1 0 298.477 2.959 20 70 CFIDRO CC[C@@H](C)[NH2+]C1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000161009217 522225627 /nfs/dbraw/zinc/22/56/27/522225627.db2.gz BHSSMTDZNJZXKQ-CQSZACIVSA-N 1 0 274.408 2.988 20 70 CFIDRO CCc1nc(C)c([C@H](C)[NH2+]C2CCN(C)CC2)s1 ZINC000161421012 522232192 /nfs/dbraw/zinc/23/21/92/522232192.db2.gz PKKRFFVEZNGYPW-JTQLQIEISA-N 1 0 267.442 2.759 20 70 CFIDRO CCc1nnc(C[N@@H+]2CCC[C@@H]2C(C)(C)CC)[nH]1 ZINC000159450090 522304999 /nfs/dbraw/zinc/30/49/99/522304999.db2.gz QWHZNBZVZZIHDE-LLVKDONJSA-N 1 0 250.390 2.768 20 70 CFIDRO COC[C@@H]([NH2+]C[C@@H](C)N1CCc2ccccc2C1)C(C)C ZINC000159826785 522353673 /nfs/dbraw/zinc/35/36/73/522353673.db2.gz HNEVJNZEQUGBEJ-CRAIPNDOSA-N 1 0 290.451 2.694 20 70 CFIDRO COC[C@H]([NH2+]CCCCc1nc(C)cs1)C1CC1 ZINC000160725113 522737030 /nfs/dbraw/zinc/73/70/30/522737030.db2.gz BEUMQXKDFGUEIZ-ZDUSSCGKSA-N 1 0 268.426 2.789 20 70 CFIDRO COC[C@H]([NH2+]C[C@H](C)N1CCc2ccccc21)C(C)C ZINC000159931897 522742469 /nfs/dbraw/zinc/74/24/69/522742469.db2.gz WVFFZWWFFHBMQC-HOCLYGCPSA-N 1 0 276.424 2.698 20 70 CFIDRO COC[C@H]([NH2+]C[C@H](C)N1CCc2sccc2C1)C1CC1 ZINC000159885420 522746359 /nfs/dbraw/zinc/74/63/59/522746359.db2.gz LJCXNIRWJPTGIQ-WFASDCNBSA-N 1 0 294.464 2.509 20 70 CFIDRO CC[C@@H]([NH2+]C[C@H]1CN(C2CC2)CCO1)c1ccc(F)cc1 ZINC000160913238 522866472 /nfs/dbraw/zinc/86/64/72/522866472.db2.gz UUZPEEXCRLNKCW-DLBZAZTESA-N 1 0 292.398 2.730 20 70 CFIDRO COC(=O)CC[N@H+](CCC(=O)c1ccc(C)cc1)C(C)C ZINC000159664877 523066909 /nfs/dbraw/zinc/06/69/09/523066909.db2.gz IRQLSUPVHFTNKQ-UHFFFAOYSA-N 1 0 291.391 2.841 20 70 CFIDRO CN(C[C@H]1CCC[N@H+](C)C1)c1nc(C(C)(C)C)ns1 ZINC000159508516 523118220 /nfs/dbraw/zinc/11/82/20/523118220.db2.gz NAEJDMPQUQRPLH-NSHDSACASA-N 1 0 282.457 2.614 20 70 CFIDRO CC[C@@](C)(O)C[NH+]1CCC(Nc2cccc(OC)c2)CC1 ZINC000161347295 523659659 /nfs/dbraw/zinc/65/96/59/523659659.db2.gz GHBGLKXZRBLHDZ-QGZVFWFLSA-N 1 0 292.423 2.733 20 70 CFIDRO CCc1ccc(CN[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000217645919 523945868 /nfs/dbraw/zinc/94/58/68/523945868.db2.gz ZXEXMQCXIRROAI-SJORKVTESA-N 1 0 258.409 2.965 20 70 CFIDRO C[C@@H]1CCCC[C@H]1C[NH2+]C[C@@H](O)COc1ccc(F)cc1 ZINC000218430169 524158607 /nfs/dbraw/zinc/15/86/07/524158607.db2.gz QIABJFBADZAYQE-IJEWVQPXSA-N 1 0 295.398 2.981 20 70 CFIDRO C[C@@H](CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccccc1F ZINC000160457934 524362597 /nfs/dbraw/zinc/36/25/97/524362597.db2.gz NIZCEMRQVXCVDT-MELADBBJSA-N 1 0 290.382 2.672 20 70 CFIDRO Cc1ccc(C[N@@H+](C)CCN(C)c2ccccc2)nc1 ZINC000160087251 524390477 /nfs/dbraw/zinc/39/04/77/524390477.db2.gz SBENXPMVGDIWMU-UHFFFAOYSA-N 1 0 269.392 2.958 20 70 CFIDRO C[C@H]1CC[C@H](CC(=O)N2CCC([NH2+]CC3CC3)CC2)C1 ZINC000159826744 524400288 /nfs/dbraw/zinc/40/02/88/524400288.db2.gz RTFZOLJOBDJJTO-ZFWWWQNUSA-N 1 0 278.440 2.803 20 70 CFIDRO Cc1ccccc1C[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000161409724 525139523 /nfs/dbraw/zinc/13/95/23/525139523.db2.gz AGYHCUCITJGUBI-MRXNPFEDSA-N 1 0 296.418 2.912 20 70 CFIDRO Cc1cc(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)nc(C(C)C)n1 ZINC000217360934 525296302 /nfs/dbraw/zinc/29/63/02/525296302.db2.gz OLWNAKRSVLWRQE-KGLIPLIRSA-N 1 0 274.412 2.947 20 70 CFIDRO C[C@H]([NH2+]CC1(CO)CCCC1)c1nc2ccccc2n1C ZINC000160096546 525318704 /nfs/dbraw/zinc/31/87/04/525318704.db2.gz WYUUXQOOIPGHRS-ZDUSSCGKSA-N 1 0 287.407 2.777 20 70 CFIDRO C[C@H]([NH2+]CC1(c2ccc(F)cc2)CC1)[C@@H]1CCOC1 ZINC000161352302 525322329 /nfs/dbraw/zinc/32/23/29/525322329.db2.gz WDMWLAMCVUTEGO-QWHCGFSZSA-N 1 0 263.356 2.872 20 70 CFIDRO C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000159435249 525460045 /nfs/dbraw/zinc/46/00/45/525460045.db2.gz AGULVHPCAAFIAS-UHOFOFEASA-N 1 0 290.382 2.877 20 70 CFIDRO C[C@@H]([NH2+]C[C@@H](C1CCCCC1)N(C)C)C1CCOCC1 ZINC000160425062 525473316 /nfs/dbraw/zinc/47/33/16/525473316.db2.gz CYQPIGQAAMNVPD-PBHICJAKSA-N 1 0 282.472 2.902 20 70 CFIDRO CSC[C@@H](CCO)[NH2+][C@H](C)c1ccc(F)cc1 ZINC000160356029 525643231 /nfs/dbraw/zinc/64/32/31/525643231.db2.gz ZWYXWWXPYOJYKD-ZWNOBZJWSA-N 1 0 257.374 2.590 20 70 CFIDRO C[C@@]1(C(=O)NCc2ccc3ccccc3c2)CCC[NH2+]C1 ZINC000161355625 525802125 /nfs/dbraw/zinc/80/21/25/525802125.db2.gz DYPCHBAEFCXVAV-GOSISDBHSA-N 1 0 282.387 2.846 20 70 CFIDRO O=C([C@@H]1CCC[NH2+]C1)N1CCC(c2ccc(F)cc2)CC1 ZINC000159569313 526472608 /nfs/dbraw/zinc/47/26/08/526472608.db2.gz REQLGBLQYWQIKI-OAHLLOKOSA-N 1 0 290.382 2.531 20 70 CFIDRO NC(=O)c1cccc(C[NH2+]Cc2cccc3cc[nH]c32)c1 ZINC000218088372 527081913 /nfs/dbraw/zinc/08/19/13/527081913.db2.gz ZZBUFGYJAVNTAJ-UHFFFAOYSA-N 1 0 279.343 2.557 20 70 CFIDRO [NH3+]Cc1ccc(C(=O)NC[C@H]2CCc3ccccc32)cc1 ZINC000159729597 527251976 /nfs/dbraw/zinc/25/19/76/527251976.db2.gz KCRKCUQZHDWSIA-MRXNPFEDSA-N 1 0 280.371 2.605 20 70 CFIDRO [NH3+][C@@H]1CCN(C(=O)c2ccc(OC3CCCCC3)cc2)C1 ZINC000160235223 527363205 /nfs/dbraw/zinc/36/32/05/527363205.db2.gz NNOPGDFDVZAZRR-CQSZACIVSA-N 1 0 288.391 2.571 20 70 CFIDRO CC(=O)c1cnc(NC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])s1 ZINC000159507653 527422155 /nfs/dbraw/zinc/42/21/55/527422155.db2.gz GUCMLASRIRMCHI-QWRGUYRKSA-N 1 0 295.408 2.582 20 70 CFIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](C)CCCC(C)C)CC1 ZINC000159510738 529028928 /nfs/dbraw/zinc/02/89/28/529028928.db2.gz RGKITKSMTOIPRJ-OAHLLOKOSA-N 1 0 283.460 2.938 20 70 CFIDRO CCSCC[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000159458171 529179183 /nfs/dbraw/zinc/17/91/83/529179183.db2.gz ACOXBFPQDUGRCN-UHFFFAOYSA-N 1 0 264.438 2.952 20 70 CFIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cc(C)cc(C)c1)CC2 ZINC000160304478 282117582 /nfs/dbraw/zinc/11/75/82/282117582.db2.gz WAUHNLWUTJDOFP-BBRMVZONSA-N 1 0 284.407 2.869 20 70 CFIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H]1CCCc3sccc31)CC2 ZINC000160493506 282119348 /nfs/dbraw/zinc/11/93/48/282119348.db2.gz PUEWRNHZNFWYFO-AAEUAGOBSA-N 1 0 288.420 2.630 20 70 CFIDRO c1coc(C[N@H+](CCOCC2CC2)C[C@@H]2CCCO2)c1 ZINC000159583851 232245042 /nfs/dbraw/zinc/24/50/42/232245042.db2.gz JLNDAQAYPWRTRH-INIZCTEOSA-N 1 0 279.380 2.687 20 70 CFIDRO Cc1cc(C(=O)NCCC[NH3+])sc1-c1ccc(F)cc1 ZINC000160126322 232247578 /nfs/dbraw/zinc/24/75/78/232247578.db2.gz LUCZDGFWLCSDBR-UHFFFAOYSA-N 1 0 292.379 2.941 20 70 CFIDRO CC[N@H+](CCNC(=O)[C@H](C)Cc1ccccc1F)C(C)C ZINC000160177206 348015748 /nfs/dbraw/zinc/01/57/48/348015748.db2.gz QOOTYQPHKUJZPR-CQSZACIVSA-N 1 0 294.414 2.851 20 70 CFIDRO C[C@H](SCc1ccccc1)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000160863521 348021578 /nfs/dbraw/zinc/02/15/78/348021578.db2.gz XDDSJFFPQWIMGU-QEJZJMRPSA-N 1 0 292.448 2.694 20 70 CFIDRO CC(C)(C)CC(=O)N1CCN(CCC(F)(F)F)CC1 ZINC000218664641 348167075 /nfs/dbraw/zinc/16/70/75/348167075.db2.gz JINRGYZYOGDXJF-UHFFFAOYSA-N 1 0 280.334 2.519 20 70 CFIDRO c1cnc2c(c1)CCC[C@@H]2N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217739296 539665028 /nfs/dbraw/zinc/66/50/28/539665028.db2.gz OAKIMWVKCOQFNH-JYJNAYRXSA-N 1 0 271.408 2.675 20 70 CFIDRO O=C1CCCN1CCC[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000159474606 188427826 /nfs/dbraw/zinc/42/78/26/188427826.db2.gz VRILVCZLCGEBKM-QGZVFWFLSA-N 1 0 286.419 2.610 20 70 CFIDRO C[C@@H]([NH2+]CCCc1cccc(F)c1)[C@H]1CCOC1 ZINC000159755556 188440464 /nfs/dbraw/zinc/44/04/64/188440464.db2.gz TVMAFEFMBOZSMB-OCCSQVGLSA-N 1 0 251.345 2.773 20 70 CFIDRO COC(=O)c1ccc(C[NH2+][C@H]2CCOC(C)(C)C2)cc1 ZINC000159985922 188449965 /nfs/dbraw/zinc/44/99/65/188449965.db2.gz UGHJHQQIUBPLJR-AWEZNQCLSA-N 1 0 277.364 2.520 20 70 CFIDRO CCC([NH3+])(CC)CNC(=O)c1csc(CC(C)C)n1 ZINC000160514508 188477389 /nfs/dbraw/zinc/47/73/89/188477389.db2.gz NYUWHTUJLDXTOQ-UHFFFAOYSA-N 1 0 283.441 2.589 20 70 CFIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc3c(c1)CCC3)CC2 ZINC000160383119 188468920 /nfs/dbraw/zinc/46/89/20/188468920.db2.gz YKLMBOJYXHFYOI-SJCJKPOMSA-N 1 0 296.418 2.741 20 70 CFIDRO C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)C1 ZINC000160676521 188485853 /nfs/dbraw/zinc/48/58/53/188485853.db2.gz NZIURZZQIUNICW-KZNAEPCWSA-N 1 0 294.398 2.764 20 70 CFIDRO C[C@@H](C(=O)NCC(C)(C)C[NH+](C)C)c1c(F)cccc1F ZINC000161142153 188511193 /nfs/dbraw/zinc/51/11/93/188511193.db2.gz IATAHVUISOGKFH-LLVKDONJSA-N 1 0 298.377 2.772 20 70 CFIDRO CC[NH2+]CC1CCN(C(=O)C[C@@H]2CC[C@@H](C)C2)CC1 ZINC000161095745 188508030 /nfs/dbraw/zinc/50/80/30/188508030.db2.gz RILQLLWBFDEBCY-UKRRQHHQSA-N 1 0 266.429 2.661 20 70 CFIDRO CN(C(=O)c1cc2ccc(F)cc2s1)[C@H](C[NH3+])C1CC1 ZINC000159847026 540663432 /nfs/dbraw/zinc/66/34/32/540663432.db2.gz YTQBWISYPLEIIT-GFCCVEGCSA-N 1 0 292.379 2.850 20 70 CFIDRO CCCn1nccc1CNCCC[N@@H+]1CCCC[C@H]1C ZINC000159962150 540666413 /nfs/dbraw/zinc/66/64/13/540666413.db2.gz HINSGKPYCSMEJV-OAHLLOKOSA-N 1 0 278.444 2.647 20 70 CFIDRO CCCn1nccc1CNC[C@H](C)C[NH+]1CCCCC1 ZINC000160109073 540668591 /nfs/dbraw/zinc/66/85/91/540668591.db2.gz PLFGGPXCAKDKEN-HNNXBMFYSA-N 1 0 278.444 2.505 20 70 CFIDRO Fc1ccc(Br)c(OC[C@@H]2CC[NH2+]C2)c1 ZINC000160326733 540671520 /nfs/dbraw/zinc/67/15/20/540671520.db2.gz LOMRUHXNQDYVIJ-MRVPVSSYSA-N 1 0 274.133 2.577 20 70 CFIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)C2(c3cccc(F)c3)CCC2)C1 ZINC000160880918 540682499 /nfs/dbraw/zinc/68/24/99/540682499.db2.gz MRVSOQHJVXSMDZ-LSDHHAIUSA-N 1 0 290.382 2.634 20 70 CFIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)CC2CCCCCC2)C1 ZINC000160890260 540682628 /nfs/dbraw/zinc/68/26/28/540682628.db2.gz QQEUOVGZPVHXNS-UONOGXRCSA-N 1 0 252.402 2.733 20 70 CFIDRO Cc1ccc(-c2ocnc2C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000160982348 540685325 /nfs/dbraw/zinc/68/53/25/540685325.db2.gz VKGXYSCHUUWRRL-KBPBESRZSA-N 1 0 299.374 2.650 20 70 CFIDRO C[C@H](C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(Cl)s1 ZINC000161229460 540690461 /nfs/dbraw/zinc/69/04/61/540690461.db2.gz AGLJGRXZGWCXEN-LPEHRKFASA-N 1 0 286.828 2.891 20 70 CFIDRO Cc1ccc(CCCC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)s1 ZINC000161225905 540690651 /nfs/dbraw/zinc/69/06/51/540690651.db2.gz UOCIVSPLMZBSPM-QWHCGFSZSA-N 1 0 280.437 2.765 20 70 CFIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2csc3c2CCCC3)C1 ZINC000161166638 540689868 /nfs/dbraw/zinc/68/98/68/540689868.db2.gz FFLLTDWCUJTSKR-GHMZBOCLSA-N 1 0 278.421 2.627 20 70 CFIDRO CC(C)c1ccc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000161395235 540693062 /nfs/dbraw/zinc/69/30/62/540693062.db2.gz AXSIILLTXPJCAB-CABCVRRESA-N 1 0 260.381 2.810 20 70 CFIDRO Cc1nccc(NC(=O)NC[C@@H]2CCC[N@@H+](C)C2)c1Cl ZINC000159483711 540995106 /nfs/dbraw/zinc/99/51/06/540995106.db2.gz LTNPGPJSWILLCG-NSHDSACASA-N 1 0 296.802 2.507 20 70 CFIDRO CCC[NH+](CCC)CCCC(=O)Nc1c[nH]c(=O)c(C)c1 ZINC000159649455 541005052 /nfs/dbraw/zinc/00/50/52/541005052.db2.gz URZVYWLZNKOKSY-UHFFFAOYSA-N 1 0 293.411 2.524 20 70 CFIDRO COc1cc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1F ZINC000160038652 541020723 /nfs/dbraw/zinc/02/07/23/541020723.db2.gz LOSCXLQPYVFLMR-ZYHUDNBSSA-N 1 0 252.333 2.729 20 70 CFIDRO CC1(C)CCC(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000160144690 541022036 /nfs/dbraw/zinc/02/20/36/541022036.db2.gz QLOFLBOJCYMFMN-OAHLLOKOSA-N 1 0 278.440 2.803 20 70 CFIDRO CNC(=O)[C@H](CC(C)C)[NH2+]Cc1ccc(Cl)cc1F ZINC000160763770 541472537 /nfs/dbraw/zinc/47/25/37/541472537.db2.gz USUNBTCYMCREIP-ZDUSSCGKSA-N 1 0 286.778 2.729 20 70 CFIDRO CCC[N@@H+](Cc1cncnc1)C[C@@H]1COc2ccccc2O1 ZINC000161409944 541628038 /nfs/dbraw/zinc/62/80/38/541628038.db2.gz GFOHCWDQBHVQFR-OAHLLOKOSA-N 1 0 299.374 2.529 20 70 CFIDRO O=C(c1ccccc1C(F)(F)F)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160379694 296261064 /nfs/dbraw/zinc/26/10/64/296261064.db2.gz GODGPVKWOMOTHQ-PHIMTYICSA-N 1 0 298.308 2.672 20 70 CFIDRO C[NH2+]C[C@H](C)C(=O)N1C[C@@H](c2ccccc2C)C[C@H]1C ZINC000159891314 378736643 /nfs/dbraw/zinc/73/66/43/378736643.db2.gz UXLOKTCATZBXHQ-ZNMIVQPWSA-N 1 0 274.408 2.555 20 70 CFIDRO CN(C)c1ccc(C[NH2+][C@H]2CCCc3occc32)cn1 ZINC000159979583 378741471 /nfs/dbraw/zinc/74/14/71/378741471.db2.gz IIHXWUOKTXUMQX-AWEZNQCLSA-N 1 0 271.364 2.908 20 70 CFIDRO C[C@@H](CC(=O)NC[C@H]1CC[N@H+](C)C1)c1ccc(F)cc1F ZINC000160100651 378748294 /nfs/dbraw/zinc/74/82/94/378748294.db2.gz MLTXYKXZSJLOCB-NWDGAFQWSA-N 1 0 296.361 2.526 20 70 CFIDRO Cc1nc(C2CCCC2)sc1C(=O)NCC(C)(C)[NH3+] ZINC000160100477 378748774 /nfs/dbraw/zinc/74/87/74/378748774.db2.gz LNGSEUVIMLFPGS-UHFFFAOYSA-N 1 0 281.425 2.576 20 70 CFIDRO CCCCNC(=O)c1ccc(C[NH2+][C@@H](CC)COC)cc1 ZINC000160117338 378749689 /nfs/dbraw/zinc/74/96/89/378749689.db2.gz HIXFJBDTIDFUKI-INIZCTEOSA-N 1 0 292.423 2.731 20 70 CFIDRO CC[C@@H](C)N(C)CC[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000160122295 378750751 /nfs/dbraw/zinc/75/07/51/378750751.db2.gz QBGTYKBDCBQRHM-LAPQFRIASA-N 1 0 296.480 2.805 20 70 CFIDRO Cc1nc(Cl)ccc1C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000159375228 378705794 /nfs/dbraw/zinc/70/57/94/378705794.db2.gz GUCCNQZHMVYGIE-LLVKDONJSA-N 1 0 295.814 2.505 20 70 CFIDRO COc1ccc([C@H](CCO)[NH2+][C@H](C)c2ccccn2)cc1 ZINC000159391882 378706329 /nfs/dbraw/zinc/70/63/29/378706329.db2.gz ZZECISNDHDJTDR-DYVFJYSZSA-N 1 0 286.375 2.865 20 70 CFIDRO Cc1ccc(C(=O)CCN2C[C@@H](C)[N@H+](C)[C@@H](C)C2)cc1 ZINC000160216446 378755130 /nfs/dbraw/zinc/75/51/30/378755130.db2.gz JFWKVZKUPNJWLK-GASCZTMLSA-N 1 0 274.408 2.592 20 70 CFIDRO O=C(N1CC[NH2+]CC1)C1(Sc2ccccc2)CCCC1 ZINC000159395068 378707354 /nfs/dbraw/zinc/70/73/54/378707354.db2.gz OXAPEGKCWTYTGB-UHFFFAOYSA-N 1 0 290.432 2.523 20 70 CFIDRO CC[C@@H](NCc1ccc(C[NH+](CC)CC)cc1)C(=O)OC ZINC000159484439 378712230 /nfs/dbraw/zinc/71/22/30/378712230.db2.gz QKGUGXANHWUBAR-MRXNPFEDSA-N 1 0 292.423 2.570 20 70 CFIDRO O=C1CCCN1CCC[NH2+][C@@H]1CCCc2sccc21 ZINC000159547534 378714797 /nfs/dbraw/zinc/71/47/97/378714797.db2.gz ZAQHQBXLOSEFCB-CYBMUJFWSA-N 1 0 278.421 2.728 20 70 CFIDRO C[C@H](C(=O)NCC1([NH3+])CCCCC1)c1cccs1 ZINC000159547528 378714865 /nfs/dbraw/zinc/71/48/65/378714865.db2.gz JQEFFQJLJOJZQV-NSHDSACASA-N 1 0 266.410 2.629 20 70 CFIDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)CCCn1cccc1 ZINC000159530532 378715052 /nfs/dbraw/zinc/71/50/52/378715052.db2.gz QGGNZICTBZDIPX-INIZCTEOSA-N 1 0 291.439 2.649 20 70 CFIDRO CCC[C@H](C)[C@@H](CC)[NH2+]CCCN1CCCC1=O ZINC000159538361 378715244 /nfs/dbraw/zinc/71/52/44/378715244.db2.gz HKAMJTMEWDINKD-UONOGXRCSA-N 1 0 254.418 2.803 20 70 CFIDRO CC(C)[C@@H](C(=O)Nc1nc(C(F)(F)F)cs1)[NH+](C)C ZINC000159636959 378721507 /nfs/dbraw/zinc/72/15/07/378721507.db2.gz JHNDQJBMVNGIFA-QMMMGPOBSA-N 1 0 295.330 2.687 20 70 CFIDRO C[C@H](C1CC1)[N@H+](Cc1cnnn1C)Cc1ccccc1 ZINC000159671900 378723617 /nfs/dbraw/zinc/72/36/17/378723617.db2.gz RENPIQBNCDAOCT-CYBMUJFWSA-N 1 0 270.380 2.616 20 70 CFIDRO CCCCOc1ccc([C@H](C)[NH2+]CCO)cc1OC ZINC000159713398 378726500 /nfs/dbraw/zinc/72/65/00/378726500.db2.gz NHVQCXWQEYLUTE-LBPRGKRZSA-N 1 0 267.369 2.517 20 70 CFIDRO CCCOc1ccc([C@@H](C)[NH2+]CCO)c(OCCC)c1 ZINC000159705092 378726679 /nfs/dbraw/zinc/72/66/79/378726679.db2.gz SNZSCEMLDAPUME-CYBMUJFWSA-N 1 0 281.396 2.907 20 70 CFIDRO CC[C@H](NC(=O)CC1CC[NH2+]CC1)c1ccc(F)cc1F ZINC000159728755 378727265 /nfs/dbraw/zinc/72/72/65/378727265.db2.gz PRTFEYOETRFNRA-HNNXBMFYSA-N 1 0 296.361 2.922 20 70 CFIDRO O=C(CCc1ccsc1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159738225 378727659 /nfs/dbraw/zinc/72/76/59/378727659.db2.gz UOZYMCABIFKECO-UHFFFAOYSA-N 1 0 292.448 2.671 20 70 CFIDRO Cc1ccccc1[C@@H](C)[NH2+][C@H](C)CO[C@@H]1CCOC1 ZINC000159779027 378730045 /nfs/dbraw/zinc/73/00/45/378730045.db2.gz NLDJWFGJSNZYPZ-RBSFLKMASA-N 1 0 263.381 2.840 20 70 CFIDRO C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000159803221 378730613 /nfs/dbraw/zinc/73/06/13/378730613.db2.gz FRONBGOBJUXJHC-NJZAAPMLSA-N 1 0 292.398 2.904 20 70 CFIDRO Cc1ccc(C)c([C@H]2C[N@H+](CCn3ccnc3)[C@H](C)CO2)c1 ZINC000159850648 378733877 /nfs/dbraw/zinc/73/38/77/378733877.db2.gz OOLNZEMXBQPWHF-SJLPKXTDSA-N 1 0 299.418 2.962 20 70 CFIDRO CC[C@@H]([NH2+][C@H]1CCc2nc(C)nn2C1)c1ccc(C)cc1 ZINC000160333628 378763805 /nfs/dbraw/zinc/76/38/05/378763805.db2.gz CRBKIAJGSUKAKZ-JKSUJKDBSA-N 1 0 284.407 2.951 20 70 CFIDRO CC(C)N(C)C(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160380178 378766769 /nfs/dbraw/zinc/76/67/69/378766769.db2.gz XCBZKZPTLOSQNC-ZBFHGGJFSA-N 1 0 289.423 2.699 20 70 CFIDRO C[C@@H]([NH2+]Cc1cncc(Br)c1)C1CC1 ZINC000160561214 378781955 /nfs/dbraw/zinc/78/19/55/378781955.db2.gz KDOSIKYUSLVSBU-MRVPVSSYSA-N 1 0 255.159 2.732 20 70 CFIDRO COc1cc(C[NH2+][C@H]2CCOC(C)(C)C2)cc(OC)c1 ZINC000160567096 378782402 /nfs/dbraw/zinc/78/24/02/378782402.db2.gz YTQAHUURPOICLB-ZDUSSCGKSA-N 1 0 279.380 2.751 20 70 CFIDRO Cc1ccc2ncc(C[NH2+][C@H]3CCOC(C)(C)C3)n2c1 ZINC000160616133 378785439 /nfs/dbraw/zinc/78/54/39/378785439.db2.gz RDEFYQSESXSAMG-ZDUSSCGKSA-N 1 0 273.380 2.690 20 70 CFIDRO CC(C)COCC[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000160704009 378792796 /nfs/dbraw/zinc/79/27/96/378792796.db2.gz ARKIENYFKGLQCJ-ORAYPTAESA-N 1 0 283.437 2.747 20 70 CFIDRO CC(C)COCC[NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000160704248 378793321 /nfs/dbraw/zinc/79/33/21/378793321.db2.gz ARKIENYFKGLQCJ-DJJJIMSYSA-N 1 0 283.437 2.747 20 70 CFIDRO CC[C@H](NC(=O)[C@@H](C)C[NH2+]C)C(C)(C)c1ccccc1 ZINC000160761607 378797110 /nfs/dbraw/zinc/79/71/10/378797110.db2.gz RMQBGGOHFOTUPD-ZFWWWQNUSA-N 1 0 276.424 2.715 20 70 CFIDRO Cc1c(C[NH2+][C@@H]2CCCOc3ccc(F)cc32)cnn1C ZINC000160790148 378798165 /nfs/dbraw/zinc/79/81/65/378798165.db2.gz TUBDFZHOJBINSN-OAHLLOKOSA-N 1 0 289.354 2.871 20 70 CFIDRO CCC(CC)(C[NH3+])C(=O)N[C@H]1CCCOc2ccccc21 ZINC000161202318 378829227 /nfs/dbraw/zinc/82/92/27/378829227.db2.gz VECJXBGXSJAZGL-AWEZNQCLSA-N 1 0 290.407 2.782 20 70 CFIDRO CCC(CC)(C[NH3+])C(=O)N1CC[C@@H](Cc2ccccc2)C1 ZINC000161179468 378829343 /nfs/dbraw/zinc/82/93/43/378829343.db2.gz PFLHMOCHINUUGQ-INIZCTEOSA-N 1 0 288.435 2.843 20 70 CFIDRO CC[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1ccc(F)cc1F ZINC000161201364 378829894 /nfs/dbraw/zinc/82/98/94/378829894.db2.gz NEAPDGIMRFDDCU-BXUZGUMPSA-N 1 0 282.334 2.626 20 70 CFIDRO CCN1CCCC[C@H]1C[NH2+][C@@H](C)c1cncc(F)c1 ZINC000161198390 378829908 /nfs/dbraw/zinc/82/99/08/378829908.db2.gz SGNFBQJMBGTROH-WFASDCNBSA-N 1 0 265.376 2.746 20 70 CFIDRO CC(=O)NC1CCC([NH2+]CCc2ccc(Cl)cc2)CC1 ZINC000161213542 378830622 /nfs/dbraw/zinc/83/06/22/378830622.db2.gz RBXAKVGKNQNNTI-UHFFFAOYSA-N 1 0 294.826 2.919 20 70 CFIDRO CC(=O)NC1CCC([NH2+]CCCc2ccccc2)CC1 ZINC000161213671 378831627 /nfs/dbraw/zinc/83/16/27/378831627.db2.gz ZIXRUEXHZVGWAU-UHFFFAOYSA-N 1 0 274.408 2.656 20 70 CFIDRO COCC[C@H](C)[NH2+][C@@H](CCCO)c1ccccc1 ZINC000160874233 378805930 /nfs/dbraw/zinc/80/59/30/378805930.db2.gz SJQZIVRQSJWRPX-ZFWWWQNUSA-N 1 0 251.370 2.515 20 70 CFIDRO CC(C)C[C@@H]([NH2+]CC(=O)NC(C)C)c1cccs1 ZINC000160973310 378813615 /nfs/dbraw/zinc/81/36/15/378813615.db2.gz IMXCRRSMSOBNDY-GFCCVEGCSA-N 1 0 268.426 2.950 20 70 CFIDRO CC[C@H]([NH2+][C@@H]1CCCCNC1=O)c1ccc(F)cc1F ZINC000160997806 378814961 /nfs/dbraw/zinc/81/49/61/378814961.db2.gz DSKIFRUUDRMCHI-UONOGXRCSA-N 1 0 282.334 2.674 20 70 CFIDRO CC[C@@H](C)[NH2+]CCCOCc1ccc(OC)cc1 ZINC000161091013 378821790 /nfs/dbraw/zinc/82/17/90/378821790.db2.gz WCTMLJOXXSNOOA-CYBMUJFWSA-N 1 0 251.370 2.990 20 70 CFIDRO CS[C@@H]1CCC[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000161119959 378822785 /nfs/dbraw/zinc/82/27/85/378822785.db2.gz ZAZUSUIVNNNTAW-RMEBNNNOSA-N 1 0 296.480 2.698 20 70 CFIDRO COc1cc(C[NH2+]C(C)(C)[C@@H](C)O)ccc1OC(C)C ZINC000161135312 378824351 /nfs/dbraw/zinc/82/43/51/378824351.db2.gz FXZZPJRKKTVMGZ-GFCCVEGCSA-N 1 0 281.396 2.731 20 70 CFIDRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)c1ccc(F)cc1Cl ZINC000161152886 378826373 /nfs/dbraw/zinc/82/63/73/378826373.db2.gz NBBBAEFBXKYTQF-UFBFGSQYSA-N 1 0 272.751 2.640 20 70 CFIDRO CC(C)C[N@@H+]1CCC[C@H](CNc2ccc3nccnc3n2)C1 ZINC000161314406 378839665 /nfs/dbraw/zinc/83/96/65/378839665.db2.gz FKOBTVQKXLHSSF-CQSZACIVSA-N 1 0 299.422 2.805 20 70 CFIDRO COc1ccc(Cl)cc1[C@@H](CC(C)C)NC(=O)[C@H](C)[NH3+] ZINC000161415324 378844538 /nfs/dbraw/zinc/84/45/38/378844538.db2.gz NYBZDQCZHCIBOV-GXFFZTMASA-N 1 0 298.814 2.899 20 70 CFIDRO CCc1ccc(CC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000161398643 378844633 /nfs/dbraw/zinc/84/46/33/378844633.db2.gz LWWOBQVJWMNYRD-SJPCQFCGSA-N 1 0 286.419 2.533 20 70 CFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C)Sc1ccc(C)cc1 ZINC000161305654 378837462 /nfs/dbraw/zinc/83/74/62/378837462.db2.gz JXGRJSGMOBKKCS-KGLIPLIRSA-N 1 0 292.448 2.686 20 70 CFIDRO C[N@H+](CCc1ccccc1Cl)C[C@@H]1CCC[C@@H]1O ZINC000159585994 322324412 /nfs/dbraw/zinc/32/44/12/322324412.db2.gz DQFDFJWVVMWPPE-ZFWWWQNUSA-N 1 0 267.800 2.975 20 70 CFIDRO CC(C)[NH2+]CCC(=O)N1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000159878240 322329058 /nfs/dbraw/zinc/32/90/58/322329058.db2.gz ZYDOZOHXIDSQRK-MCIONIFRSA-N 1 0 252.402 2.554 20 70 CFIDRO Cc1ccccc1[C@@H](C)[NH2+]CCCNC(=O)C(C)C ZINC000159977933 322330769 /nfs/dbraw/zinc/33/07/69/322330769.db2.gz AUCRDFMBWGYETF-CQSZACIVSA-N 1 0 262.397 2.808 20 70 CFIDRO C[N@@H+]1CC[C@H](CNC(=O)C[C@H]2CCCCC2(C)C)C1 ZINC000160101465 322333194 /nfs/dbraw/zinc/33/31/94/322333194.db2.gz UAENLXUOGYQNPS-ZIAGYGMSSA-N 1 0 266.429 2.661 20 70 CFIDRO CCCN(CC)CC[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000217658381 382787236 /nfs/dbraw/zinc/78/72/36/382787236.db2.gz ZOWLPHXPGALFTP-UHFFFAOYSA-N 1 0 259.397 2.989 20 70 CFIDRO C[C@@H]1CCC[C@H]([NH2+][C@@H](C(N)=O)c2ccccc2)[C@@H]1C ZINC000217774265 382787981 /nfs/dbraw/zinc/78/79/81/382787981.db2.gz HECZMCPGRURAFJ-RJZRQDKASA-N 1 0 260.381 2.627 20 70 CFIDRO COc1cc(N[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc(OC)c1 ZINC000217913594 382788262 /nfs/dbraw/zinc/78/82/62/382788262.db2.gz OLXQGLJKTVSAPQ-MQIPJXDCSA-N 1 0 278.396 2.844 20 70 CFIDRO CCCn1c2ccccc2nc1CNC[C@H]1CCC[N@@H+]1C ZINC000218235372 382789821 /nfs/dbraw/zinc/78/98/21/382789821.db2.gz PWSPERSCDBWUKM-CQSZACIVSA-N 1 0 286.423 2.630 20 70 CFIDRO C[NH2+][C@@H]1CCN(C(=O)CCCC2CCCCC2)C1 ZINC000160642513 532956535 /nfs/dbraw/zinc/95/65/35/532956535.db2.gz LJOSWMZIDJDFPO-CQSZACIVSA-N 1 0 252.402 2.557 20 70 CFIDRO CC[C@H](C)[N@H+](C)CCNCc1cc(C)ccc1OC ZINC000217398405 393756771 /nfs/dbraw/zinc/75/67/71/393756771.db2.gz FZUCADXDUSBFRY-AWEZNQCLSA-N 1 0 264.413 2.824 20 70 CFIDRO Cc1cccc([C@H](C)C(=O)NCC2([NH3+])CCCCC2)c1 ZINC000159477467 394365721 /nfs/dbraw/zinc/36/57/21/394365721.db2.gz YHNOMKCIQINRQG-AWEZNQCLSA-N 1 0 274.408 2.876 20 70 CFIDRO CCCCOc1ccc(C(=O)N(C)[C@H](C[NH3+])C2CC2)cc1 ZINC000159894825 394365984 /nfs/dbraw/zinc/36/59/84/394365984.db2.gz LNCDTWOTZKIMON-MRXNPFEDSA-N 1 0 290.407 2.675 20 70 CFIDRO C[C@H](NC1CC[NH+](C2CCCC2)CC1)c1cnccn1 ZINC000160477671 394366406 /nfs/dbraw/zinc/36/64/06/394366406.db2.gz KHRBJFJUONXYOF-ZDUSSCGKSA-N 1 0 274.412 2.534 20 70 CFIDRO CO[C@]1(C)C[C@@H]([NH2+]Cc2ccccc2NC(C)=O)C1(C)C ZINC000160511647 394366497 /nfs/dbraw/zinc/36/64/97/394366497.db2.gz CODOOPPEMDYLKN-NVXWUHKLSA-N 1 0 290.407 2.938 20 70 CFIDRO CC[C@H](C)C[N@H+](CC)[C@@H](C)C(=O)Nc1nccs1 ZINC000160518937 394366623 /nfs/dbraw/zinc/36/66/23/394366623.db2.gz IPZYVIFFPYWYGZ-QWRGUYRKSA-N 1 0 269.414 2.838 20 70 CFIDRO CC(C)(O)C[NH2+][C@H]1CCCOc2ccc(Cl)cc21 ZINC000160591571 394366904 /nfs/dbraw/zinc/36/69/04/394366904.db2.gz QPJHITUNZSAHRV-LBPRGKRZSA-N 1 0 269.772 2.914 20 70 CFIDRO CC1CCC(O)(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)CC1 ZINC000160707812 394366970 /nfs/dbraw/zinc/36/69/70/394366970.db2.gz MWHDWOGTNMLSFC-MNAZLIDISA-N 1 0 281.440 2.555 20 70 CFIDRO CCC(CC)(C[NH3+])C(=O)N1CC[C@@H](CC(C)C)C1 ZINC000161221544 394367123 /nfs/dbraw/zinc/36/71/23/394367123.db2.gz LHRBDNPYXYNAGP-ZDUSSCGKSA-N 1 0 254.418 2.646 20 70 CFIDRO CO[C@]1(C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CCOC1 ZINC000160105057 286174907 /nfs/dbraw/zinc/17/49/07/286174907.db2.gz FAAABRNCYSLGLC-SRVKXCTJSA-N 1 0 281.318 2.503 20 70 CFIDRO C[C@H]1CC[C@@H](CC(=O)NCC2([NH3+])CCCCC2)C1 ZINC000159647216 533688051 /nfs/dbraw/zinc/68/80/51/533688051.db2.gz OFZUCWQUXRYDDO-QWHCGFSZSA-N 1 0 252.402 2.591 20 70 CFIDRO CCOC(CC[NH2+][C@@H]1CCc2ccccc2C1)OCC ZINC000159542602 276306801 /nfs/dbraw/zinc/30/68/01/276306801.db2.gz WHNQIJPWCZARHJ-MRXNPFEDSA-N 1 0 277.408 2.923 20 70 CFIDRO CS[C@H]1CCC[C@@H]([NH2+]C2CCC(NC(C)=O)CC2)C1 ZINC000161502805 277528210 /nfs/dbraw/zinc/52/82/10/277528210.db2.gz AJNOYXOQSFZMPP-CVSAEHQPSA-N 1 0 284.469 2.698 20 70 CFIDRO CC1(C)C[C@@H]([NH2+]C2CCN(CC(F)(F)F)CC2)CCO1 ZINC000159973942 278368588 /nfs/dbraw/zinc/36/85/88/278368588.db2.gz BKSGHXVQHXZJKY-LBPRGKRZSA-N 1 0 294.361 2.560 20 70 CFIDRO CC[C@H]([NH2+]CCN(C)Cc1ccc(F)cc1)[C@H]1CCOC1 ZINC000160135691 288041011 /nfs/dbraw/zinc/04/10/11/288041011.db2.gz HYINQECMUWEGFT-RDJZCZTQSA-N 1 0 294.414 2.662 20 70 CFIDRO CC[C@H](NCc1ccccc1C[NH+](CC)CC)C(=O)OC ZINC000159480701 288050759 /nfs/dbraw/zinc/05/07/59/288050759.db2.gz JRATYEKFVUBPEQ-INIZCTEOSA-N 1 0 292.423 2.570 20 70 CFIDRO CC(C)[C@H](C)[NH2+][C@@H](CN1CCCC1=O)c1ccccc1 ZINC000160683663 280223125 /nfs/dbraw/zinc/22/31/25/280223125.db2.gz XYNBSQUWTUNKKJ-HOCLYGCPSA-N 1 0 274.408 2.984 20 70 CFIDRO Cc1cccc([C@@H]2CCCCCN2C(=O)[C@H](C)[NH3+])c1 ZINC000160983381 302022773 /nfs/dbraw/zinc/02/27/73/302022773.db2.gz SMCCYTNIFZPSIR-ZFWWWQNUSA-N 1 0 260.381 2.786 20 70 CFIDRO Cc1cccn2cc(CNC(=O)CCCn3cccc3)nc12 ZINC000159455548 322323116 /nfs/dbraw/zinc/32/31/16/322323116.db2.gz HBHKDBZDNXYYOB-UHFFFAOYSA-N 1 0 296.374 2.541 20 70 CFIDRO CC[C@@H]([NH2+]CCCN1CCCC1=O)c1cccs1 ZINC000159510938 322323456 /nfs/dbraw/zinc/32/34/56/322323456.db2.gz CYBNPTNIMNFWBR-GFCCVEGCSA-N 1 0 266.410 2.801 20 70 CFIDRO CC[NH+](CC)Cc1ccc(CNC(=O)C2(C)CC2)cc1 ZINC000159553316 322323981 /nfs/dbraw/zinc/32/39/81/322323981.db2.gz PBFZCZDLEMMLQL-UHFFFAOYSA-N 1 0 274.408 2.945 20 70 CFIDRO CC[C@]1(C)C[C@H]1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000159560427 322324136 /nfs/dbraw/zinc/32/41/36/322324136.db2.gz CPKRSQIWPUQTPW-GRDNDAEWSA-N 1 0 290.407 2.969 20 70 CFIDRO CC[C@H](c1ccc(Cl)cc1)[N@H+](C)CC(C)(CO)CO ZINC000159575366 322324630 /nfs/dbraw/zinc/32/46/30/322324630.db2.gz MEUDHODBVZFVHM-CQSZACIVSA-N 1 0 285.815 2.714 20 70 CFIDRO C[C@@H]([NH2+]CCCc1cccc(F)c1)c1cnccn1 ZINC000159768187 322328095 /nfs/dbraw/zinc/32/80/95/322328095.db2.gz VNMFWTFIWHOADY-GFCCVEGCSA-N 1 0 259.328 2.899 20 70 CFIDRO CC(C)C[C@@H](C)NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000160029180 322332023 /nfs/dbraw/zinc/33/20/23/322332023.db2.gz AEKNRRYBFNCJHJ-CHWSQXEVSA-N 1 0 271.449 2.697 20 70 CFIDRO C[N@H+](CCCOc1ccc(Cl)cc1)[C@@H](CN)C1CC1 ZINC000160141880 322333629 /nfs/dbraw/zinc/33/36/29/322333629.db2.gz AVSSDYUXNQYFML-HNNXBMFYSA-N 1 0 282.815 2.778 20 70 CFIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1C=CCCC1 ZINC000160271105 322335737 /nfs/dbraw/zinc/33/57/37/322335737.db2.gz RLBSURUFCQVCJZ-HUUCEWRRSA-N 1 0 279.428 2.515 20 70 CFIDRO C[C@H]1SCC[N@H+](Cc2cnc3ccccn23)[C@H]1C ZINC000160501639 322339110 /nfs/dbraw/zinc/33/91/10/322339110.db2.gz CZQYNDZBWHTNCY-NWDGAFQWSA-N 1 0 261.394 2.660 20 70 CFIDRO CC(C)(C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)C1CCCC1 ZINC000160668983 322341015 /nfs/dbraw/zinc/34/10/15/322341015.db2.gz KXXLXYQYNFECRU-CYBMUJFWSA-N 1 0 278.440 2.803 20 70 CFIDRO COc1cccc(N2CC[NH+](Cc3occc3C)CC2)c1 ZINC000160691738 322341775 /nfs/dbraw/zinc/34/17/75/322341775.db2.gz GRBBIDZVYBDZKB-UHFFFAOYSA-N 1 0 286.375 2.919 20 70 CFIDRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1)c1ccc2c(c1)OCO2 ZINC000160794650 322342943 /nfs/dbraw/zinc/34/29/43/322342943.db2.gz ZTMGUXSZIBNYEG-GFCCVEGCSA-N 1 0 298.342 2.705 20 70 CFIDRO CC(C)[NH2+]CCC(=O)N[C@H](C)[C@@H](C)c1ccccc1 ZINC000160891282 322344670 /nfs/dbraw/zinc/34/46/70/322344670.db2.gz CJMHDGXFBNNULZ-ZIAGYGMSSA-N 1 0 262.397 2.683 20 70 CFIDRO CC(C)[NH2+]CCC(=O)N1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000160904324 322344723 /nfs/dbraw/zinc/34/47/23/322344723.db2.gz XWMDIWXIRZEXJQ-HOCLYGCPSA-N 1 0 274.408 2.779 20 70 CFIDRO CCN(Cc1ccccn1)[C@H](C)C(=O)N(C)c1ccccc1 ZINC000161120606 322347489 /nfs/dbraw/zinc/34/74/89/322347489.db2.gz AXRZBTSMNJGZKD-OAHLLOKOSA-N 1 0 297.402 2.955 20 70 CFIDRO CCCCCc1nnc(NC(=O)C(CC)(CC)C[NH3+])s1 ZINC000161165920 322348208 /nfs/dbraw/zinc/34/82/08/322348208.db2.gz HISXEVHCPALAQD-UHFFFAOYSA-N 1 0 298.456 2.974 20 70 CFIDRO Cc1c(C[NH2+][C@H]2CCc3c2cccc3F)cnn1C ZINC000161217962 322349424 /nfs/dbraw/zinc/34/94/24/322349424.db2.gz NUMZPXPWXNWXBO-HNNXBMFYSA-N 1 0 259.328 2.645 20 70 CFIDRO CC(C)(C)[NH2+]CCNC(=O)c1cccc(Cl)c1F ZINC000159807526 518756630 /nfs/dbraw/zinc/75/66/30/518756630.db2.gz OZXAQTJVFFYWNO-UHFFFAOYSA-N 1 0 272.751 2.597 20 70 CFIDRO CC(=O)NC1CCC([NH2+]CCc2ccccc2Cl)CC1 ZINC000161383435 519645093 /nfs/dbraw/zinc/64/50/93/519645093.db2.gz UTXWQHFCPNLQBM-UHFFFAOYSA-N 1 0 294.826 2.919 20 70 CFIDRO CC(=O)Nc1cccc([C@H](C)[NH2+]CC2(CO)CCCC2)c1 ZINC000160102436 519748397 /nfs/dbraw/zinc/74/83/97/519748397.db2.gz VLRVQOAQWUIAOP-ZDUSSCGKSA-N 1 0 290.407 2.848 20 70 CFIDRO CCC[N@@H+]1CCCN(C(=O)NCc2ccc(C)cc2)CC1 ZINC000160013907 519850038 /nfs/dbraw/zinc/85/00/38/519850038.db2.gz NUQSBPBOQFLVSK-UHFFFAOYSA-N 1 0 289.423 2.622 20 70 CFIDRO CC[N@H+](C)CCNc1ncc(Cl)cc1Br ZINC000159589632 520240313 /nfs/dbraw/zinc/24/03/13/520240313.db2.gz GTUFYVGFCWZDFX-UHFFFAOYSA-N 1 0 292.608 2.861 20 70 CFIDRO CCCCC[C@H](C)NC(=O)N1CCC[N@H+](CC)CC1 ZINC000159512639 520302692 /nfs/dbraw/zinc/30/26/92/520302692.db2.gz GWJUHVBWXRJAEY-AWEZNQCLSA-N 1 0 269.433 2.692 20 70 CFIDRO CCCCS[C@@H](C)C(=O)N1CCC[N@H+](CCC)CC1 ZINC000160369395 520959413 /nfs/dbraw/zinc/95/94/13/520959413.db2.gz VVCZCYNYDWKOIH-AWEZNQCLSA-N 1 0 286.485 2.853 20 70 CFIDRO CC[N@H+](CCNCc1cccc2c1OC(C)(C)C2)C1CC1 ZINC000217797987 521078115 /nfs/dbraw/zinc/07/81/15/521078115.db2.gz NHXCMOSNDCWMJE-UHFFFAOYSA-N 1 0 288.435 2.974 20 70 CFIDRO CCC(CC)CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000160555145 521528677 /nfs/dbraw/zinc/52/86/77/521528677.db2.gz GQMNJQTWBAPSDZ-OAHLLOKOSA-N 1 0 281.444 2.692 20 70 CFIDRO CC[C@H](C)c1cc(C(=O)NC2CC[NH+](C3CC3)CC2)on1 ZINC000159373270 522027866 /nfs/dbraw/zinc/02/78/66/522027866.db2.gz TYQWWLUNESIZDP-NSHDSACASA-N 1 0 291.395 2.545 20 70 CFIDRO CC[C@H](C)c1cc(C(=O)N[C@H](C)C[NH+]2CCCCC2)on1 ZINC000160369836 522032403 /nfs/dbraw/zinc/03/24/03/522032403.db2.gz GHLZMJUQDYYTEH-QWHCGFSZSA-N 1 0 293.411 2.792 20 70 CFIDRO CCc1nnc(C[NH2+][C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)[nH]1 ZINC000160545614 522350903 /nfs/dbraw/zinc/35/09/03/522350903.db2.gz MSMQTEBSCDJIQB-YNEHKIRRSA-N 1 0 264.417 2.918 20 70 CFIDRO CC[C@H]([NH2+]C[C@@H]1CN(C2CC2)CCO1)c1ccc(F)cc1 ZINC000160912848 522621898 /nfs/dbraw/zinc/62/18/98/522621898.db2.gz UUZPEEXCRLNKCW-SJORKVTESA-N 1 0 292.398 2.730 20 70 CFIDRO CN(Cc1cccc(C(F)(F)F)c1)[C@@H](C[NH3+])C1CC1 ZINC000159741854 523299921 /nfs/dbraw/zinc/29/99/21/523299921.db2.gz KPMUUNGTHUSDBV-ZDUSSCGKSA-N 1 0 272.314 2.875 20 70 CFIDRO CCn1cc([C@@H](C)[NH2+]C[C@](C)(O)CCC(C)C)cn1 ZINC000159392010 523455095 /nfs/dbraw/zinc/45/50/95/523455095.db2.gz ZLHJWMYZNFIFFC-UKRRQHHQSA-N 1 0 267.417 2.741 20 70 CFIDRO CC[C@@]1(C)C[C@@H]1C(=O)NCC[NH2+]C1CCCCCC1 ZINC000159671705 523725727 /nfs/dbraw/zinc/72/57/27/523725727.db2.gz BCYKJMFRZODUPS-ZBFHGGJFSA-N 1 0 266.429 2.851 20 70 CFIDRO C[C@@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)c1cccs1 ZINC000159400454 524114719 /nfs/dbraw/zinc/11/47/19/524114719.db2.gz ILNVKPPQXKUGCW-ZIAGYGMSSA-N 1 0 292.448 2.938 20 70 CFIDRO Cc1ccc(CCCC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)s1 ZINC000159397827 524309782 /nfs/dbraw/zinc/30/97/82/524309782.db2.gz GKJYLGGAPOWZNN-OKILXGFUSA-N 1 0 292.448 2.732 20 70 CFIDRO C[C@@H]1CC[C@@H](CC(=O)N2CCC([NH2+]CC3CC3)CC2)C1 ZINC000159826918 524579465 /nfs/dbraw/zinc/57/94/65/524579465.db2.gz RTFZOLJOBDJJTO-UKRRQHHQSA-N 1 0 278.440 2.803 20 70 CFIDRO C[C@@H](NC(=O)[C@H]([NH3+])c1ccccc1)[C@@H](C)c1ccccc1 ZINC000160892170 525287349 /nfs/dbraw/zinc/28/73/49/525287349.db2.gz YVVLOEKUQAOTNH-CKEIUWERSA-N 1 0 282.387 2.995 20 70 CFIDRO C[C@H]([NH2+]CC1(CO)CCCC1)c1ccc2c(c1)OCCO2 ZINC000160079932 525315829 /nfs/dbraw/zinc/31/58/29/525315829.db2.gz DJJHUTTVVVDYKG-ZDUSSCGKSA-N 1 0 291.391 2.661 20 70 CFIDRO CSCCCCC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000159755864 525406415 /nfs/dbraw/zinc/40/64/15/525406415.db2.gz BKMVGXFXTDCXCW-CYBMUJFWSA-N 1 0 272.458 2.510 20 70 CFIDRO C[C@@H](N[C@@H]1CCC[N@@H+](C2CCCCC2)C1)c1cnccn1 ZINC000160068788 525632463 /nfs/dbraw/zinc/63/24/63/525632463.db2.gz GVIZRONYJSYLBA-HUUCEWRRSA-N 1 0 288.439 2.924 20 70 CFIDRO C[C@@H](N[C@H]1CCC[N@@H+](C2CCCCC2)C1)c1cnccn1 ZINC000160069054 525677845 /nfs/dbraw/zinc/67/78/45/525677845.db2.gz GVIZRONYJSYLBA-CABCVRRESA-N 1 0 288.439 2.924 20 70 CFIDRO CSC[C@H](CCO)[NH2+][C@@H](CC(C)C)c1ccccn1 ZINC000160174390 525698492 /nfs/dbraw/zinc/69/84/92/525698492.db2.gz FNIWMZPUYDTAGX-ZFWWWQNUSA-N 1 0 282.453 2.872 20 70 CFIDRO c1nc2ccccn2c1C[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000160983062 526609204 /nfs/dbraw/zinc/60/92/04/526609204.db2.gz TUQAQGGOZZEQAE-ZIAGYGMSSA-N 1 0 255.365 2.956 20 70 CFIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H]1C[C@H](C)CC[C@@H]1C(C)C)CC2 ZINC000160580257 527195757 /nfs/dbraw/zinc/19/57/57/527195757.db2.gz YGRXEUWFJVUXDQ-BVUBDWEXSA-N 1 0 290.455 2.952 20 70 CFIDRO [NH3+][C@@H](C(=O)NC[C@H]1CCc2ccccc21)c1ccccc1 ZINC000159731466 527327983 /nfs/dbraw/zinc/32/79/83/527327983.db2.gz HEARZBUMLJGJIU-NVXWUHKLSA-N 1 0 280.371 2.533 20 70 CFIDRO OCC1(C[NH2+]Cc2ccc3ncccc3c2)CCCC1 ZINC000160074376 527523932 /nfs/dbraw/zinc/52/39/32/527523932.db2.gz XEZRTTDUSKTHLE-UHFFFAOYSA-N 1 0 270.376 2.877 20 70 CFIDRO CC(C)[C@H](C)NC(=O)C[NH2+][C@H]1CCCC[C@@H]1C(C)C ZINC000160357990 528964445 /nfs/dbraw/zinc/96/44/45/528964445.db2.gz BZTFILDKQKDAMT-ZNMIVQPWSA-N 1 0 268.445 2.952 20 70 CFIDRO CC[N@@H+]1CCCN(C(=O)NCC(C)(C)CC(C)C)CC1 ZINC000159958280 529023940 /nfs/dbraw/zinc/02/39/40/529023940.db2.gz UXYPCEWLVMDIJI-UHFFFAOYSA-N 1 0 283.460 2.796 20 70 CFIDRO CC[C@H](C)[N@H+](C)CCN[C@@H](C)c1ccc2c(c1)OCO2 ZINC000160145091 529690218 /nfs/dbraw/zinc/69/02/18/529690218.db2.gz XVEBPNNPAYLMJB-STQMWFEESA-N 1 0 278.396 2.796 20 70 CFIDRO C[NH2+]C[C@@H]1CCCN(C(=O)C2C3CC4CC(C3)CC2C4)C1 ZINC000160194959 290681978 /nfs/dbraw/zinc/68/19/78/290681978.db2.gz BBZRUDWMUVGTMN-CNSOWSRNSA-N 1 0 290.451 2.517 20 70 CFIDRO Cc1ccc(SCC(=O)NCC2([NH3+])CCCCC2)cc1 ZINC000159457919 232244603 /nfs/dbraw/zinc/24/46/03/232244603.db2.gz PLLHFEXFDNCXSJ-UHFFFAOYSA-N 1 0 292.448 2.865 20 70 CFIDRO C[C@H]1CCC[C@@H](C(=O)NCC2([NH3+])CCCCC2)C1 ZINC000159654698 232245876 /nfs/dbraw/zinc/24/58/76/232245876.db2.gz MYOMAXNKNHGKHH-QWHCGFSZSA-N 1 0 252.402 2.591 20 70 CFIDRO Cc1ccc(C)c([C@H](C)N(C)C(=O)[C@H]2CC[C@H]([NH3+])C2)c1 ZINC000159964759 232246541 /nfs/dbraw/zinc/24/65/41/232246541.db2.gz GNEFCDCKMVJXRY-KKUMJFAQSA-N 1 0 274.408 2.950 20 70 CFIDRO CC(C)[NH2+]CCC(=O)N[C@H]1CCC[C@H]1c1ccccc1 ZINC000159718272 348014199 /nfs/dbraw/zinc/01/41/99/348014199.db2.gz PDCSQWHNDWLGFK-HOTGVXAUSA-N 1 0 274.408 2.827 20 70 CFIDRO CN(Cc1ncc(-c2ccc(F)cc2)o1)[C@H](C[NH3+])C1CC1 ZINC000160068701 348015978 /nfs/dbraw/zinc/01/59/78/348015978.db2.gz WYPGJQVAUFIHBR-CQSZACIVSA-N 1 0 289.354 2.650 20 70 CFIDRO CC[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000160700395 348019777 /nfs/dbraw/zinc/01/97/77/348019777.db2.gz FYCDSGMEWXESFY-GDBMZVCRSA-N 1 0 293.455 2.692 20 70 CFIDRO Cc1cccc2c1CCN2C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160755691 348020715 /nfs/dbraw/zinc/02/07/15/348020715.db2.gz YYZYVCKCUJYBRA-HNNXBMFYSA-N 1 0 299.418 2.551 20 70 CFIDRO CCNC(=O)C[NH2+]CC(c1ccccc1)c1ccccc1 ZINC000218590619 348167455 /nfs/dbraw/zinc/16/74/55/348167455.db2.gz RUULBQZVNDSPPT-UHFFFAOYSA-N 1 0 282.387 2.544 20 70 CFIDRO CCCN(CCc1cccc(F)c1)C(=O)[C@H]1CCC[NH2+]C1 ZINC000160096956 188455540 /nfs/dbraw/zinc/45/55/40/188455540.db2.gz WXJKOSUJOBOAHK-HNNXBMFYSA-N 1 0 292.398 2.606 20 70 CFIDRO CC1(C)C[C@H]([NH2+]Cc2c[nH]nc2-c2cccnc2)CCO1 ZINC000160511452 188477157 /nfs/dbraw/zinc/47/71/57/188477157.db2.gz RIMAIMYBPBHMKQ-CQSZACIVSA-N 1 0 286.379 2.519 20 70 CFIDRO CCC([NH3+])(CC)CNC(=O)C[C@H](C)c1ccccc1OC ZINC000160438877 188472349 /nfs/dbraw/zinc/47/23/49/188472349.db2.gz JZSKUMQBDSVNMR-ZDUSSCGKSA-N 1 0 292.423 2.823 20 70 CFIDRO Cc1cc(NC[C@@H]2CCN(CC(F)(F)F)C2)cc[nH+]1 ZINC000160917845 188497973 /nfs/dbraw/zinc/49/79/73/188497973.db2.gz AJDWGQLSSBNENZ-NSHDSACASA-N 1 0 273.302 2.686 20 70 CFIDRO [NH3+]CCCC(=O)N[C@@H](Cc1ccccc1)c1cccs1 ZINC000161066339 188506043 /nfs/dbraw/zinc/50/60/43/188506043.db2.gz HUZKSTLTRDRPQT-AWEZNQCLSA-N 1 0 288.416 2.887 20 70 CFIDRO CCC(CC)(C[NH3+])C(=O)N1CCS[C@@H]2CCCC[C@H]21 ZINC000161247801 188517357 /nfs/dbraw/zinc/51/73/57/188517357.db2.gz UZVHXIYIULGJKU-CHWSQXEVSA-N 1 0 284.469 2.638 20 70 CFIDRO C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)C1CC[NH2+]CC1 ZINC000161244686 188517556 /nfs/dbraw/zinc/51/75/56/188517556.db2.gz XAEZPPXQMHQEBI-IUODEOHRSA-N 1 0 290.382 2.530 20 70 CFIDRO CCOc1ccccc1C[NH2+]C1CCC2(CC1)OCCO2 ZINC000161439201 188527642 /nfs/dbraw/zinc/52/76/42/188527642.db2.gz NOXLLDDXYIPEGZ-UHFFFAOYSA-N 1 0 291.391 2.861 20 70 CFIDRO [NH3+]C1(CNC(=O)C[C@H]2CCc3ccccc32)CCCCC1 ZINC000159722932 540661766 /nfs/dbraw/zinc/66/17/66/540661766.db2.gz MGCFBMYUOCYLQF-OAHLLOKOSA-N 1 0 286.419 2.884 20 70 CFIDRO CCCn1nccc1CNc1cccc(C[NH+](C)C)c1 ZINC000160027999 540667567 /nfs/dbraw/zinc/66/75/67/540667567.db2.gz YVTITIYYCDBUGF-UHFFFAOYSA-N 1 0 272.396 2.967 20 70 CFIDRO CC1(CNC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)CCC1 ZINC000160831144 540681530 /nfs/dbraw/zinc/68/15/30/540681530.db2.gz CWVFPTJZAQVTAI-LBPRGKRZSA-N 1 0 266.772 2.646 20 70 CFIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C2(c3cccc(F)c3)CCC2)C1 ZINC000160881184 540682671 /nfs/dbraw/zinc/68/26/71/540682671.db2.gz MRVSOQHJVXSMDZ-HUUCEWRRSA-N 1 0 290.382 2.634 20 70 CFIDRO CC(C)[NH2+]CCC(=O)NCCCCC1CCCC1 ZINC000160900416 540682867 /nfs/dbraw/zinc/68/28/67/540682867.db2.gz VIHNIRFWUPEMPR-UHFFFAOYSA-N 1 0 254.418 2.851 20 70 CFIDRO CC(C)c1ccc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000161394847 540692857 /nfs/dbraw/zinc/69/28/57/540692857.db2.gz AXSIILLTXPJCAB-LSDHHAIUSA-N 1 0 260.381 2.810 20 70 CFIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000161393188 540692987 /nfs/dbraw/zinc/69/29/87/540692987.db2.gz IHSJYNHIQMSXLB-NEPJUHHUSA-N 1 0 286.297 2.705 20 70 CFIDRO CC(C)C(=O)NCCC[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC000159976679 541019496 /nfs/dbraw/zinc/01/94/96/541019496.db2.gz PAMKMRNTROHUNC-HNNXBMFYSA-N 1 0 296.361 2.704 20 70 CFIDRO Cc1ccc(C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)cn1 ZINC000161322600 541585550 /nfs/dbraw/zinc/58/55/50/541585550.db2.gz IBXBOMDEMPDMIS-CQSZACIVSA-N 1 0 293.374 2.822 20 70 CFIDRO CCC[NH+]1CCC(CNC(=O)Nc2ccc(C)nc2)CC1 ZINC000161349812 541597245 /nfs/dbraw/zinc/59/72/45/541597245.db2.gz JCQPQTPHJGTOCU-UHFFFAOYSA-N 1 0 290.411 2.634 20 70 CFIDRO C[C@@H](c1cccs1)[N@H+](C)CCCCS(C)(=O)=O ZINC000161474530 541649882 /nfs/dbraw/zinc/64/98/82/541649882.db2.gz IWRRTDJVLOFORI-NSHDSACASA-N 1 0 275.439 2.566 20 70 CFIDRO Oc1ccc(C[NH2+][C@@H]2CCc3c2cccc3O)cc1 ZINC000161479798 541651254 /nfs/dbraw/zinc/65/12/54/541651254.db2.gz XVQUCBDKXZOJRM-OAHLLOKOSA-N 1 0 255.317 2.875 20 70 CFIDRO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCOC(C)(C)C2)C12CCC2 ZINC000159947833 378739240 /nfs/dbraw/zinc/73/92/40/378739240.db2.gz OVSXZWSOEKNDTA-HZSPNIEDSA-N 1 0 267.413 2.881 20 70 CFIDRO [NH3+]C[C@H]1CCCN1C(=O)/C=C/c1cc(Cl)ccc1Cl ZINC000160240913 378757693 /nfs/dbraw/zinc/75/76/93/378757693.db2.gz CUKVPFSGLLIYGC-MJRJWQSSSA-N 1 0 299.201 2.956 20 70 CFIDRO C[NH+](C)Cc1ccc(C(=O)NCCC2=CCCC2)cc1 ZINC000160148598 378752074 /nfs/dbraw/zinc/75/20/74/378752074.db2.gz BTWHJSOXCPTWFK-UHFFFAOYSA-N 1 0 272.392 2.978 20 70 CFIDRO Cc1cccc([C@H]2CCCN2CC(=O)N2CCCCC2)n1 ZINC000160193654 378753555 /nfs/dbraw/zinc/75/35/55/378753555.db2.gz UHINUCQWWBDIHN-MRXNPFEDSA-N 1 0 287.407 2.539 20 70 CFIDRO C[C@H](O)C[N@H+](C)[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000159371897 378705750 /nfs/dbraw/zinc/70/57/50/378705750.db2.gz FNZZRHVIFCORFC-RYUDHWBXSA-N 1 0 260.337 2.715 20 70 CFIDRO COc1ccc([C@@H](CCO)[NH2+][C@@H](C)c2ccccn2)cc1 ZINC000159392026 378707440 /nfs/dbraw/zinc/70/74/40/378707440.db2.gz ZZECISNDHDJTDR-SUMWQHHRSA-N 1 0 286.375 2.865 20 70 CFIDRO Fc1ccc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000159510204 378713792 /nfs/dbraw/zinc/71/37/92/378713792.db2.gz QZRZUIPBBRYRDZ-KKUMJFAQSA-N 1 0 261.340 2.873 20 70 CFIDRO Cc1ccnc(N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000160214199 378755552 /nfs/dbraw/zinc/75/55/52/378755552.db2.gz MPAMMBBKWXKWHK-BBRMVZONSA-N 1 0 282.391 2.717 20 70 CFIDRO Cn1c(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)nc2ccccc21 ZINC000159571457 378717640 /nfs/dbraw/zinc/71/76/40/378717640.db2.gz UETVFZYZLOFARS-JLZZUVOBSA-N 1 0 297.402 2.621 20 70 CFIDRO COC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCCSC1 ZINC000159586721 378718856 /nfs/dbraw/zinc/71/88/56/378718856.db2.gz PLESWAISKCZBJP-HUUCEWRRSA-N 1 0 265.422 2.729 20 70 CFIDRO CCc1ccc([C@H](C)[NH2+]CCCN2CCCC2=O)o1 ZINC000159587430 378719061 /nfs/dbraw/zinc/71/90/61/378719061.db2.gz NMGNSPUYPCWVDZ-LBPRGKRZSA-N 1 0 264.369 2.505 20 70 CFIDRO C[C@H](Cc1cccc(F)c1)C(=O)NCC1([NH3+])CCCCC1 ZINC000159628040 378721145 /nfs/dbraw/zinc/72/11/45/378721145.db2.gz HASZMBACOBXFNH-CYBMUJFWSA-N 1 0 292.398 2.782 20 70 CFIDRO Cc1ccc([C@@H](C)CNC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2[NH3+])cc1 ZINC000159656954 378723100 /nfs/dbraw/zinc/72/31/00/378723100.db2.gz ZQSUNXSPYFHRLC-OBCVZTRHSA-N 1 0 286.419 2.588 20 70 CFIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)c2ccc(C)cc2)CC1 ZINC000159707012 378725959 /nfs/dbraw/zinc/72/59/59/378725959.db2.gz RBWBVTCWQKTFDY-HNNXBMFYSA-N 1 0 289.423 2.793 20 70 CFIDRO CSCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@H]1c1ccccc1 ZINC000159716842 378726141 /nfs/dbraw/zinc/72/61/41/378726141.db2.gz LDNIMBRCQPPYDU-SOUVJXGZSA-N 1 0 292.448 2.519 20 70 CFIDRO NC(=O)CC1CC[NH+](Cc2cc3ccccc3s2)CC1 ZINC000159746401 378728031 /nfs/dbraw/zinc/72/80/31/378728031.db2.gz SBTAAIOEPMLPDJ-UHFFFAOYSA-N 1 0 288.416 2.989 20 70 CFIDRO CCN(CCn1ccnc1)Cc1c(F)cccc1F ZINC000159790381 378730298 /nfs/dbraw/zinc/73/02/98/378730298.db2.gz NRYLGCCSXWUYJL-UHFFFAOYSA-N 1 0 265.307 2.683 20 70 CFIDRO C[NH2+]CC(=O)N1CCC[C@H](C)[C@@H]1c1ccc(C)cc1 ZINC000159780924 378730570 /nfs/dbraw/zinc/73/05/70/378730570.db2.gz HSQZOOOXOMQNBE-XJKSGUPXSA-N 1 0 260.381 2.514 20 70 CFIDRO CSC[C@H](CCO)[NH2+][C@@H]1CCc2ccc(C)cc21 ZINC000160326661 378763857 /nfs/dbraw/zinc/76/38/57/378763857.db2.gz JUOHWARRDXAZJX-DZGCQCFKSA-N 1 0 265.422 2.686 20 70 CFIDRO C[C@@H](CNc1nnc(C(F)(F)F)s1)C[NH+]1CCCC1 ZINC000160331893 378764123 /nfs/dbraw/zinc/76/41/23/378764123.db2.gz SORFAZIEQAHALE-QMMMGPOBSA-N 1 0 294.346 2.701 20 70 CFIDRO C[C@@H]1C[C@H](NC(=O)NC(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC000160380630 378768613 /nfs/dbraw/zinc/76/86/13/378768613.db2.gz LEHPUYOQHDYEJS-HIFRSBDPSA-N 1 0 289.423 2.747 20 70 CFIDRO CC(=O)Nc1ccccc1C[NH2+]C[C@@H](O)c1ccsc1 ZINC000160474821 378776063 /nfs/dbraw/zinc/77/60/63/378776063.db2.gz OMLHNSZZJPBZFV-OAHLLOKOSA-N 1 0 290.388 2.530 20 70 CFIDRO CCC([NH3+])(CC)CNC(=O)[C@H](C)Cc1cccc(F)c1 ZINC000160495937 378777369 /nfs/dbraw/zinc/77/73/69/378777369.db2.gz HDICWCJXEPQIGZ-GFCCVEGCSA-N 1 0 280.387 2.638 20 70 CFIDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H]2CCOC(C)(C)C2)C1 ZINC000160530289 378779507 /nfs/dbraw/zinc/77/95/07/378779507.db2.gz HFDOBPONRZMDLP-OLZOCXBDSA-N 1 0 298.427 2.543 20 70 CFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cc3ccccc3o1)CC2 ZINC000160551017 378780072 /nfs/dbraw/zinc/78/00/72/378780072.db2.gz RCLIFPCFYGOKSR-SMDDNHRTSA-N 1 0 296.374 2.998 20 70 CFIDRO COCc1ccc(C[NH2+][C@H]2CCOC(C)(C)C2)cc1 ZINC000160545224 378780444 /nfs/dbraw/zinc/78/04/44/378780444.db2.gz VJBCXZXUCGRKFP-HNNXBMFYSA-N 1 0 263.381 2.880 20 70 CFIDRO COc1cccc(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c1 ZINC000160559958 378782426 /nfs/dbraw/zinc/78/24/26/378782426.db2.gz XWQGGEMJIZZWIM-OAHLLOKOSA-N 1 0 290.407 2.545 20 70 CFIDRO Cc1cc(C)cc(CCNC(=O)CCCCCC[NH3+])c1 ZINC000160588697 378783912 /nfs/dbraw/zinc/78/39/12/378783912.db2.gz YQSJZGUFOANTJK-UHFFFAOYSA-N 1 0 276.424 2.871 20 70 CFIDRO CCC(CC)(C(=O)N1CC[C@H]([NH2+]C)C1)c1ccccc1 ZINC000160588692 378784498 /nfs/dbraw/zinc/78/44/98/378784498.db2.gz YDNTZLXMFZHZJT-HNNXBMFYSA-N 1 0 274.408 2.565 20 70 CFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H]1C[C@H](C)CC[C@@H]1C(C)C)CC2 ZINC000160580135 378784673 /nfs/dbraw/zinc/78/46/73/378784673.db2.gz YGRXEUWFJVUXDQ-MIGQKNRLSA-N 1 0 290.455 2.952 20 70 CFIDRO CCc1ccccc1C(=O)NCC(C)(C)C[NH+](C)C ZINC000160702790 378793525 /nfs/dbraw/zinc/79/35/25/378793525.db2.gz DUTHCVCWAJFAMJ-UHFFFAOYSA-N 1 0 262.397 2.567 20 70 CFIDRO C[NH2+][C@H]1CCN(C(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000160775912 378798866 /nfs/dbraw/zinc/79/88/66/378798866.db2.gz HBKNWPURVHEELJ-KRWDZBQOSA-N 1 0 280.371 2.788 20 70 CFIDRO CCC[N@H+](CCO)Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000161201203 378829935 /nfs/dbraw/zinc/82/99/35/378829935.db2.gz AMUIJBNQKGLIHV-UHFFFAOYSA-N 1 0 293.798 2.730 20 70 CFIDRO CCC(CC)(C[NH3+])C(=O)N1CC[C@H](CC(C)C)C1 ZINC000161221411 378831370 /nfs/dbraw/zinc/83/13/70/378831370.db2.gz LHRBDNPYXYNAGP-CYBMUJFWSA-N 1 0 254.418 2.646 20 70 CFIDRO Cc1ccc(-c2cc(C[NH+]3CCC(C)(O)CC3)on2)cc1 ZINC000161208068 378831621 /nfs/dbraw/zinc/83/16/21/378831621.db2.gz WUUJEKAHICQHHU-UHFFFAOYSA-N 1 0 286.375 2.997 20 70 CFIDRO CC(C)C1(CNC(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000160818760 378801880 /nfs/dbraw/zinc/80/18/80/378801880.db2.gz DYXCPGKMKJBJPT-HIFRSBDPSA-N 1 0 274.408 2.875 20 70 CFIDRO C[C@@H]([NH2+]C[C@H](C)N(C)Cc1ccccc1)[C@@H]1CCOC1 ZINC000160858501 378803971 /nfs/dbraw/zinc/80/39/71/378803971.db2.gz AQXVPZBODNXECA-ZMSDIMECSA-N 1 0 276.424 2.522 20 70 CFIDRO C[C@@H](NC[C@H](C)[N@H+](C)Cc1ccccc1)c1cnccn1 ZINC000160864246 378804564 /nfs/dbraw/zinc/80/45/64/378804564.db2.gz IPVRAQYKWIQQGC-LSDHHAIUSA-N 1 0 284.407 2.648 20 70 CFIDRO CC(=O)N1CCC([NH2+]Cc2cc(F)cc(Cl)c2)CC1 ZINC000160884110 378806031 /nfs/dbraw/zinc/80/60/31/378806031.db2.gz JQFXJESMPNNYBI-UHFFFAOYSA-N 1 0 284.762 2.580 20 70 CFIDRO CSCC[C@H]([NH3+])C(=O)NCCCCC1CCCC1 ZINC000160901207 378808023 /nfs/dbraw/zinc/80/80/23/378808023.db2.gz KZRBUUXBCYZYNQ-ZDUSSCGKSA-N 1 0 272.458 2.544 20 70 CFIDRO CC(C)c1cnc(NC(=O)[C@@H]([NH3+])C(C)(C)C)s1 ZINC000160894558 378808466 /nfs/dbraw/zinc/80/84/66/378808466.db2.gz PRHOQOQHRBXEMV-SECBINFHSA-N 1 0 255.387 2.578 20 70 CFIDRO CN(C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)C1CCCCC1 ZINC000160909996 378809032 /nfs/dbraw/zinc/80/90/32/378809032.db2.gz GEBSJZQDZGCJAG-AWEZNQCLSA-N 1 0 293.455 2.977 20 70 CFIDRO COC(C)(C)C[C@H](C)NC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000160966358 378811189 /nfs/dbraw/zinc/81/11/89/378811189.db2.gz KPFSLHDREJERLQ-YDHLFZDLSA-N 1 0 292.423 2.642 20 70 CFIDRO COC(C[N@H+](C)CC(C)(C)c1ccc(C)cc1)OC ZINC000161275301 378835239 /nfs/dbraw/zinc/83/52/39/378835239.db2.gz UZQVGYLIJJKPGW-UHFFFAOYSA-N 1 0 265.397 2.823 20 70 CFIDRO C[C@@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)c1cncc(F)c1 ZINC000161104616 378821619 /nfs/dbraw/zinc/82/16/19/378821619.db2.gz BSXLURPWKBSSBN-UGFHNGPFSA-N 1 0 265.376 2.744 20 70 CFIDRO C[C@@]1(C(=O)Nc2nc3c(s2)CCCCC3)CCC[NH2+]C1 ZINC000161323632 378839832 /nfs/dbraw/zinc/83/98/32/378839832.db2.gz HODRSGYKWUTNAR-OAHLLOKOSA-N 1 0 293.436 2.740 20 70 CFIDRO CC(=O)NC1CCC([NH2+][C@H](C)c2nc(C)cs2)CC1 ZINC000161415239 378844605 /nfs/dbraw/zinc/84/46/05/378844605.db2.gz QONPEMAMIBSRPY-QFWMXSHPSA-N 1 0 281.425 2.549 20 70 CFIDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H](C)CC(C)C)c1 ZINC000161437893 378848417 /nfs/dbraw/zinc/84/84/17/378848417.db2.gz UGVMJGPDWCEEQR-STQMWFEESA-N 1 0 298.452 2.680 20 70 CFIDRO COC1(C(=O)N(C)c2ccc(C(C)C)cc2)CC[NH2+]CC1 ZINC000161460444 378849608 /nfs/dbraw/zinc/84/96/08/378849608.db2.gz ZWXZIPINTCEBQS-UHFFFAOYSA-N 1 0 290.407 2.541 20 70 CFIDRO CCO[C@H]1C[C@@H]([NH2+][C@@H]2CCCOC2)C1(CC)CC ZINC000161309386 322349648 /nfs/dbraw/zinc/34/96/48/322349648.db2.gz CPIZWQVKTGKCLM-MCIONIFRSA-N 1 0 255.402 2.739 20 70 CFIDRO CC[C@@H](C)[N@H+](C)CCNCc1ccc(OC)cc1OC ZINC000217383558 382786142 /nfs/dbraw/zinc/78/61/42/382786142.db2.gz RTVFHJDYXZURTN-CYBMUJFWSA-N 1 0 280.412 2.524 20 70 CFIDRO CCN(CC[NH2+][C@@H]1CCCc2ccc(O)cc21)C1CC1 ZINC000217439145 382786313 /nfs/dbraw/zinc/78/63/13/382786313.db2.gz RSZKVIKRDZPXDK-QGZVFWFLSA-N 1 0 274.408 2.844 20 70 CFIDRO C[C@@H]([NH2+][C@@H]1CCC[C@@H](C)C1)c1cccc(S(N)(=O)=O)c1 ZINC000217995932 382788429 /nfs/dbraw/zinc/78/84/29/382788429.db2.gz YQILCCDQWDAIMY-YRGRVCCFSA-N 1 0 296.436 2.563 20 70 CFIDRO C[NH+](C)CC(C)(C)C[NH2+]Cc1cccc2cc[nH]c21 ZINC000218059294 382788816 /nfs/dbraw/zinc/78/88/16/382788816.db2.gz DWEQXUHEYDARIE-UHFFFAOYSA-N 1 0 259.397 2.845 20 70 CFIDRO Cc1n[nH]cc1CCC[NH2+]Cc1cccc2cc[nH]c21 ZINC000218100670 382789272 /nfs/dbraw/zinc/78/92/72/382789272.db2.gz SRFHNNXKSNZUND-UHFFFAOYSA-N 1 0 268.364 2.922 20 70 CFIDRO CC(C)[C@@H](C[NH2+]Cc1ccn(C)n1)c1ccccc1 ZINC000218093972 382789585 /nfs/dbraw/zinc/78/95/85/382789585.db2.gz OYMYPXOTZLGYPK-MRXNPFEDSA-N 1 0 257.381 2.950 20 70 CFIDRO CC[C@H]1CCCC[C@H]1NC(=O)N1CCC[N@H+](CC)CC1 ZINC000159684143 394365588 /nfs/dbraw/zinc/36/55/88/394365588.db2.gz AZYBOBZZGIEEOF-LSDHHAIUSA-N 1 0 281.444 2.692 20 70 CFIDRO CC(C)[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)NCC(F)(F)F ZINC000159842248 394365611 /nfs/dbraw/zinc/36/56/11/394365611.db2.gz OHBYTFGPFOFZQE-SDDRHHMPSA-N 1 0 294.361 2.858 20 70 CFIDRO CCO[C@@H](C(=O)NCC1([NH3+])CCCCC1)c1ccccc1 ZINC000159473057 394365751 /nfs/dbraw/zinc/36/57/51/394365751.db2.gz HYFIKXWCXMIAJM-OAHLLOKOSA-N 1 0 290.407 2.542 20 70 CFIDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)s1 ZINC000160303113 394366483 /nfs/dbraw/zinc/36/64/83/394366483.db2.gz TWNOGJYLIZFOQH-CMPLNLGQSA-N 1 0 276.409 2.622 20 70 CFIDRO CSC[C@@H](CCO)[NH2+][C@H]1CCc2c1cccc2C ZINC000160186137 286675695 /nfs/dbraw/zinc/67/56/95/286675695.db2.gz ZELMPIIGXYYHNY-DOMZBBRYSA-N 1 0 265.422 2.686 20 70 CFIDRO CC(C)[C@H](C(=O)N[C@H]1CCCc2sccc21)[NH+](C)C ZINC000160265245 273552028 /nfs/dbraw/zinc/55/20/28/273552028.db2.gz LEVGHOCHFRXUQY-GXTWGEPZSA-N 1 0 280.437 2.828 20 70 CFIDRO CC(C)N1CC[C@@H]([NH2+][C@H]2CCCc3cc(F)ccc32)C1=O ZINC000159543789 275642460 /nfs/dbraw/zinc/64/24/60/275642460.db2.gz XUNMKYKPQAKHTN-JKSUJKDBSA-N 1 0 290.382 2.802 20 70 CFIDRO COc1ccc([C@@H](C)[C@H](C)[NH2+]C2CCN(C)CC2)cc1 ZINC000161492937 277925597 /nfs/dbraw/zinc/92/55/97/277925597.db2.gz GCHUCWTYHYSYKO-KBPBESRZSA-N 1 0 276.424 2.871 20 70 CFIDRO C[C@H]1C[C@H]([NH2+]CCc2ncn(C)n2)c2ccsc2S1 ZINC000217003351 280010589 /nfs/dbraw/zinc/01/05/89/280010589.db2.gz IXDMWHYLHLLUHK-ONGXEEELSA-N 1 0 294.449 2.634 20 70 CFIDRO C[C@]1(c2ccccc2)CCCN(C(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000160105298 280172322 /nfs/dbraw/zinc/17/23/22/280172322.db2.gz GASXAMSDLHFEPT-YJBOKZPZSA-N 1 0 286.419 2.566 20 70 CFIDRO COc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)[C@@H]1CCCO1)CCO2 ZINC000217966533 280931723 /nfs/dbraw/zinc/93/17/23/280931723.db2.gz LPEBRBWGYRPVPL-CQDKDKBSSA-N 1 0 277.364 2.676 20 70 CFIDRO C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000161044533 300447508 /nfs/dbraw/zinc/44/75/08/300447508.db2.gz SBNBYAHSAZVPSV-ZENOOKHLSA-N 1 0 290.382 2.735 20 70 CFIDRO CCc1cccc(CC(=O)NC[C@H](C)C[NH+]2CCCC2)c1 ZINC000159379295 322321669 /nfs/dbraw/zinc/32/16/69/322321669.db2.gz PMMUDDJSZHOHNH-HNNXBMFYSA-N 1 0 288.435 2.640 20 70 CFIDRO CS[C@H](C)CC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000159406264 322322184 /nfs/dbraw/zinc/32/21/84/322322184.db2.gz WSZZOFFYMGLBJU-CQSZACIVSA-N 1 0 286.485 2.756 20 70 CFIDRO CCC[C@@H]([NH2+][C@@H]1CCN(C(=O)CC)C1)c1ccccn1 ZINC000159384982 322322486 /nfs/dbraw/zinc/32/24/86/322322486.db2.gz LWUQCZVCZLYPCA-UKRRQHHQSA-N 1 0 275.396 2.523 20 70 CFIDRO CCSCC[N@@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000159514337 322323522 /nfs/dbraw/zinc/32/35/22/322323522.db2.gz DUFWIKRYCSADJJ-GFCCVEGCSA-N 1 0 288.457 2.729 20 70 CFIDRO C[N@H+](CCOc1ccccc1Cl)C[C@@H]1CCC[C@@H]1O ZINC000159487407 322323645 /nfs/dbraw/zinc/32/36/45/322323645.db2.gz PPUCRZWAUXTTBM-JSGCOSHPSA-N 1 0 283.799 2.812 20 70 CFIDRO CCOc1ccccc1[C@H](C)[NH2+]CCCN1CCCC1=O ZINC000159564498 322324754 /nfs/dbraw/zinc/32/47/54/322324754.db2.gz RUONYFWEBDDSCM-AWEZNQCLSA-N 1 0 290.407 2.748 20 70 CFIDRO Cc1ccccc1[C@@H](C)[NH2+]CCOC[C@H]1CCCO1 ZINC000159644270 322325542 /nfs/dbraw/zinc/32/55/42/322325542.db2.gz UEGGNUXHICDCSL-HUUCEWRRSA-N 1 0 263.381 2.841 20 70 CFIDRO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)cc1 ZINC000159677674 322326107 /nfs/dbraw/zinc/32/61/07/322326107.db2.gz PEBNFZUCOJQRPS-BBRMVZONSA-N 1 0 288.391 2.898 20 70 CFIDRO Cc1cc(C)c(C(=O)NCCC[NH+]2CCCCCC2)[nH]1 ZINC000159658124 322326237 /nfs/dbraw/zinc/32/62/37/322326237.db2.gz FGTSPZNUVYXKFM-UHFFFAOYSA-N 1 0 277.412 2.627 20 70 CFIDRO Cc1cnc([C@@H]([NH2+]CCC(C)(C)O)C2CC2)s1 ZINC000159703902 322326900 /nfs/dbraw/zinc/32/69/00/322326900.db2.gz MOTGSRVODBYYTN-NSHDSACASA-N 1 0 254.399 2.653 20 70 CFIDRO C[N@H+](CCOc1cccc(Cl)c1)C[C@@H]1CCC[C@@H]1O ZINC000159723756 322327635 /nfs/dbraw/zinc/32/76/35/322327635.db2.gz CJVMRIYOAGWEOF-WFASDCNBSA-N 1 0 283.799 2.812 20 70 CFIDRO C[C@H]([NH2+]CCCc1cccc(F)c1)c1cnccn1 ZINC000159768061 322328065 /nfs/dbraw/zinc/32/80/65/322328065.db2.gz VNMFWTFIWHOADY-LBPRGKRZSA-N 1 0 259.328 2.899 20 70 CFIDRO CN(C(=O)/C=C/c1ccc(Cl)cc1)[C@@H](C[NH3+])C1CC1 ZINC000159868140 322329276 /nfs/dbraw/zinc/32/92/76/322329276.db2.gz FFKYQKBODGCEPU-MDDUGHTDSA-N 1 0 278.783 2.549 20 70 CFIDRO Cc1nn(C)c(C)c1C[N@@H+](CCc1nccs1)C(C)C ZINC000159860193 322329295 /nfs/dbraw/zinc/32/92/95/322329295.db2.gz NIKMQRVQTSBTOL-UHFFFAOYSA-N 1 0 292.452 2.947 20 70 CFIDRO CC[N@@H+]1CCCN(C(=O)NCCCC(C)(C)C)CC1 ZINC000159891809 322329868 /nfs/dbraw/zinc/32/98/68/322329868.db2.gz ZMWIIADFXNPYNZ-UHFFFAOYSA-N 1 0 269.433 2.550 20 70 CFIDRO CC(C)c1ccc(CC2CC[NH+]([C@@H](C)C(N)=O)CC2)cc1 ZINC000159950332 322331111 /nfs/dbraw/zinc/33/11/11/322331111.db2.gz LYXNLDHCOJLDIC-AWEZNQCLSA-N 1 0 288.435 2.938 20 70 CFIDRO CC[C@H]([NH2+]C[C@@H](C1CCCCC1)N(C)C)[C@H]1CCOC1 ZINC000160413826 322338128 /nfs/dbraw/zinc/33/81/28/322338128.db2.gz SLVAJNZVUKNSJY-ULQDDVLXSA-N 1 0 282.472 2.902 20 70 CFIDRO C[C@H]1SCC[N@H+](Cc2cnc3ccccn23)[C@@H]1C ZINC000160501517 322339098 /nfs/dbraw/zinc/33/90/98/322339098.db2.gz CZQYNDZBWHTNCY-VXGBXAGGSA-N 1 0 261.394 2.660 20 70 CFIDRO Cc1nc2ccccn2c1CN(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000160591439 322339924 /nfs/dbraw/zinc/33/99/24/322339924.db2.gz MCLXZJPVYDPCJW-HIFRSBDPSA-N 1 0 286.423 2.557 20 70 CFIDRO CCc1oc2ccccc2c1/C=C/C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000160704952 322341896 /nfs/dbraw/zinc/34/18/96/322341896.db2.gz LZWKIEXFHXLJPB-XEHSLEBBSA-N 1 0 298.386 2.829 20 70 CFIDRO CC1(C)CCCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000160876332 322344404 /nfs/dbraw/zinc/34/44/04/322344404.db2.gz WBRGPCZZMJLYSS-CQSZACIVSA-N 1 0 293.455 2.835 20 70 CFIDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCC2(C3CC3)CCC2)C1 ZINC000160907705 322344685 /nfs/dbraw/zinc/34/46/85/322344685.db2.gz HBPINHLWWJLLAF-LSDHHAIUSA-N 1 0 293.455 2.739 20 70 CFIDRO FCCC[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000161028876 322346545 /nfs/dbraw/zinc/34/65/45/322346545.db2.gz BOTTVTUOBFSPRK-OAHLLOKOSA-N 1 0 250.361 2.600 20 70 CFIDRO c1cc(CC[NH2+]C(C2CC2)C2CC2)cc2c1OCO2 ZINC000161119494 322347495 /nfs/dbraw/zinc/34/74/95/322347495.db2.gz DHMLDFYDUVXHAE-UHFFFAOYSA-N 1 0 259.349 2.736 20 70 CFIDRO CCCCSCCC(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000159900811 520950538 /nfs/dbraw/zinc/95/05/38/520950538.db2.gz XGSOTPATMHBLMV-CQSZACIVSA-N 1 0 286.485 2.758 20 70 CFIDRO CCCC[C@H](CC)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159891821 521159810 /nfs/dbraw/zinc/15/98/10/521159810.db2.gz FANXCTKHGDYZJE-MELADBBJSA-N 1 0 252.402 2.556 20 70 CFIDRO CC(C)(C)[C@H]([NH3+])C(=O)NCc1ccccc1OC1CCC1 ZINC000159709803 518961401 /nfs/dbraw/zinc/96/14/01/518961401.db2.gz IQYSYGPCFNGDHZ-OAHLLOKOSA-N 1 0 290.407 2.608 20 70 CFIDRO CC(C)(CNC(=O)C[C@@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000159489319 519242562 /nfs/dbraw/zinc/24/25/62/519242562.db2.gz MPPCKEQITFAJRY-HNNXBMFYSA-N 1 0 274.408 2.514 20 70 CFIDRO CC(C)CC[C@@](C)(O)C[NH2+][C@H](C)C1CCOCC1 ZINC000159444367 519687673 /nfs/dbraw/zinc/68/76/73/519687673.db2.gz VIWLMNSOTCAGFX-UKRRQHHQSA-N 1 0 257.418 2.578 20 70 CFIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]1c1ccco1 ZINC000160553908 519721708 /nfs/dbraw/zinc/72/17/08/519721708.db2.gz BGNFEKKQSCYLMS-QLFBSQMISA-N 1 0 290.407 2.620 20 70 CFIDRO CC(=O)Nc1nc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)cs1 ZINC000160545504 519752885 /nfs/dbraw/zinc/75/28/85/519752885.db2.gz AQTQEVCNVPZXPZ-AAEUAGOBSA-N 1 0 279.409 2.866 20 70 CFIDRO CC(C)Oc1cccc(CN(C)[C@H](C[NH3+])C2CC2)c1 ZINC000159697509 519782759 /nfs/dbraw/zinc/78/27/59/519782759.db2.gz VANVWQONBJQARC-MRXNPFEDSA-N 1 0 262.397 2.643 20 70 CFIDRO CC(C)n1cc([C@@H](C)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cn1 ZINC000161122791 519975824 /nfs/dbraw/zinc/97/58/24/519975824.db2.gz KMJQNSCDHJOALR-BMFZPTHFSA-N 1 0 278.444 2.987 20 70 CFIDRO CC[NH+](CC)CCNC(=O)Nc1cc(Cl)ccc1OC ZINC000217283128 520677269 /nfs/dbraw/zinc/67/72/69/520677269.db2.gz BKKGIODXPJDSHW-UHFFFAOYSA-N 1 0 299.802 2.812 20 70 CFIDRO CC1(O)CC[NH+](Cc2ccc(F)c3cccnc23)CC1 ZINC000161227661 520773990 /nfs/dbraw/zinc/77/39/90/520773990.db2.gz WWVYLFKEJNJBOQ-UHFFFAOYSA-N 1 0 274.339 2.721 20 70 CFIDRO CCC[C@H](C)[C@H](CC)[NH2+]CCCN1CCCC1=O ZINC000159538571 521065783 /nfs/dbraw/zinc/06/57/83/521065783.db2.gz HKAMJTMEWDINKD-KBPBESRZSA-N 1 0 254.418 2.803 20 70 CFIDRO CCOc1ccccc1CNCC[N@H+](C)[C@H](C)CC ZINC000217385823 521502498 /nfs/dbraw/zinc/50/24/98/521502498.db2.gz RMMYJTBWQGSJCW-CQSZACIVSA-N 1 0 264.413 2.905 20 70 CFIDRO CCOc1ccccc1CNCC[N@H+](C)[C@@H](C)CC ZINC000217385741 521503014 /nfs/dbraw/zinc/50/30/14/521503014.db2.gz RMMYJTBWQGSJCW-AWEZNQCLSA-N 1 0 264.413 2.905 20 70 CFIDRO CCC(CC)CNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000160581698 521528592 /nfs/dbraw/zinc/52/85/92/521528592.db2.gz KZZFPCAYXYEHST-UHFFFAOYSA-N 1 0 295.471 2.940 20 70 CFIDRO CCOc1ccccc1[C@H](C)[NH2+][C@@H](CCO)CSC ZINC000160366717 521583592 /nfs/dbraw/zinc/58/35/92/521583592.db2.gz FFVQXURSKBJFTF-STQMWFEESA-N 1 0 283.437 2.850 20 70 CFIDRO COc1c(C[NH2+]C/C(C)=C/c2ccccc2)c(C)nn1C ZINC000160176142 521832868 /nfs/dbraw/zinc/83/28/68/521832868.db2.gz JTBAHJFGSCEONU-JLHYYAGUSA-N 1 0 285.391 2.930 20 70 CFIDRO CN(C)c1cccc([C@H]2CCC[N@@H+]2CCn2ccnc2)c1 ZINC000159851257 522289022 /nfs/dbraw/zinc/28/90/22/522289022.db2.gz WIXHDPNMSWZNFA-QGZVFWFLSA-N 1 0 284.407 2.786 20 70 CFIDRO CCc1nnc(C[NH2+][C@@H]2C[C@H](C)CC[C@@H]2C(C)C)[nH]1 ZINC000160545343 522351746 /nfs/dbraw/zinc/35/17/46/522351746.db2.gz MSMQTEBSCDJIQB-JHJVBQTASA-N 1 0 264.417 2.918 20 70 CFIDRO COC[C@H]([NH2+]C[C@H](C)COCc1ccccc1)C1CC1 ZINC000161315977 522741256 /nfs/dbraw/zinc/74/12/56/522741256.db2.gz UXMNLZOTNJQMQX-YOEHRIQHSA-N 1 0 277.408 2.854 20 70 CFIDRO CC[C@@H]([NH2+][C@@H](CCCO)c1ccccc1)[C@@H]1CCOC1 ZINC000160850726 522919849 /nfs/dbraw/zinc/91/98/49/522919849.db2.gz ZFCFXOCBTWUPRC-ZACQAIPSSA-N 1 0 277.408 2.905 20 70 CFIDRO CC[C@@H]([NH2+][C@H](CCO)CSC)c1ccccc1OC ZINC000160375517 522943197 /nfs/dbraw/zinc/94/31/97/522943197.db2.gz JRBRVYYUXKVODF-TZMCWYRMSA-N 1 0 283.437 2.850 20 70 CFIDRO CN(Cc1cc(-c2ccccc2)on1)[C@@H](C[NH3+])C1CC1 ZINC000159991326 523159959 /nfs/dbraw/zinc/15/99/59/523159959.db2.gz LLJSNATWJGWTNK-HNNXBMFYSA-N 1 0 271.364 2.511 20 70 CFIDRO CC[C@H]1CN(CCC[NH+]2CCCCC2)CCS1 ZINC000161383723 523274167 /nfs/dbraw/zinc/27/41/67/523274167.db2.gz WLMWMDALUUFOHL-AWEZNQCLSA-N 1 0 256.459 2.690 20 70 CFIDRO CCn1cc([C@@H](C)[NH2+]C[C@@](C)(O)CCC(C)C)cn1 ZINC000159392299 523456914 /nfs/dbraw/zinc/45/69/14/523456914.db2.gz ZLHJWMYZNFIFFC-HIFRSBDPSA-N 1 0 267.417 2.741 20 70 CFIDRO CN(C(=O)c1csc2ccccc12)[C@@H](C[NH3+])C1CC1 ZINC000159822380 523964120 /nfs/dbraw/zinc/96/41/20/523964120.db2.gz HJBXWJCDLFDPEU-ZDUSSCGKSA-N 1 0 274.389 2.711 20 70 CFIDRO Cc1ccc(C)c(OCCC[N@@H+](C)[C@H](CN)C2CC2)c1 ZINC000159989525 524174466 /nfs/dbraw/zinc/17/44/66/524174466.db2.gz CVNZKIXWSUEQID-MRXNPFEDSA-N 1 0 276.424 2.741 20 70 CFIDRO Cc1cc(C)cc(OCCC[N@@H+](C)[C@H](CN)C2CC2)c1 ZINC000159978037 524442178 /nfs/dbraw/zinc/44/21/78/524442178.db2.gz WIFRWEZMEBYWQG-QGZVFWFLSA-N 1 0 276.424 2.741 20 70 CFIDRO C[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2)CC[C@@H]1O ZINC000159425886 524617994 /nfs/dbraw/zinc/61/79/94/524617994.db2.gz KRGUFMNNFMHFHE-GWCFXTLKSA-N 1 0 273.298 2.908 20 70 CFIDRO C[C@H]([NH2+]C[C@@H](C1CCCCC1)N(C)C)[C@H]1CCOC1 ZINC000160396787 525375525 /nfs/dbraw/zinc/37/55/25/525375525.db2.gz PZENLXXABSUEQI-BPUTZDHNSA-N 1 0 268.445 2.512 20 70 CFIDRO Cc1cc([C@@H](C)[NH2+]CC(=O)NC(C)C)cc(C)c1F ZINC000161002092 525460329 /nfs/dbraw/zinc/46/03/29/525460329.db2.gz JILLFFXRIWBQFU-GFCCVEGCSA-N 1 0 266.360 2.618 20 70 CFIDRO CSCC[N@H+](C)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000160275786 525495718 /nfs/dbraw/zinc/49/57/18/525495718.db2.gz BOZYBSFCVQVUFX-UHFFFAOYSA-N 1 0 286.485 2.566 20 70 CFIDRO C[C@H](O)C(C)(C)[NH2+]Cc1ccccc1Br ZINC000160626805 525695858 /nfs/dbraw/zinc/69/58/58/525695858.db2.gz YTRMSXJCQKVWDT-VIFPVBQESA-N 1 0 272.186 2.698 20 70 CFIDRO Cc1ccc(C(=O)CC[N@@H+](C[C@H](C)O)C(C)C)cc1 ZINC000159548374 526042929 /nfs/dbraw/zinc/04/29/29/526042929.db2.gz HQPJXLZJSPBLFD-AWEZNQCLSA-N 1 0 263.381 2.659 20 70 CFIDRO Cc1ccc(C(=O)CC[N@@H+]2CCC[C@@H]2C(C)(C)O)cc1 ZINC000160920614 526046225 /nfs/dbraw/zinc/04/62/25/526046225.db2.gz UXFWIJRTZOWTGH-MRXNPFEDSA-N 1 0 275.392 2.803 20 70 CFIDRO O=C(c1cccc(Cl)c1Cl)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160383326 526760932 /nfs/dbraw/zinc/76/09/32/526760932.db2.gz XLDAHEYZWQNFQI-AOOOYVTPSA-N 1 0 299.201 2.960 20 70 CFIDRO CC(C)(CCCc1ccccc1)CNC(=O)CCC[NH3+] ZINC000160122784 527021075 /nfs/dbraw/zinc/02/10/75/527021075.db2.gz VHBAACQWPNXHHI-UHFFFAOYSA-N 1 0 276.424 2.891 20 70 CFIDRO O=C(C[C@@H]1CCC[NH2+]1)Nc1cc(C2CCCCCC2)[nH]n1 ZINC000159480083 527118315 /nfs/dbraw/zinc/11/83/15/527118315.db2.gz YMHHZOIKGOPHLN-ZDUSSCGKSA-N 1 0 290.411 2.928 20 70 CFIDRO CC(=O)c1cnc(NC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])s1 ZINC000159507515 527421911 /nfs/dbraw/zinc/42/19/11/527421911.db2.gz GUCMLASRIRMCHI-MNOVXSKESA-N 1 0 295.408 2.582 20 70 CFIDRO CC(C)C1(CNC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000160819258 527612720 /nfs/dbraw/zinc/61/27/20/527612720.db2.gz PYSFQGYUXARZOU-KBPBESRZSA-N 1 0 266.429 2.837 20 70 CFIDRO O=C(NCCCCCOC1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000159534449 527643287 /nfs/dbraw/zinc/64/32/87/527643287.db2.gz HUNKVWGNWJSXDU-HNNXBMFYSA-N 1 0 296.455 2.622 20 70 CFIDRO CCC[NH+]1CCC(NC(=O)C2(CCOCC)CCC2)CC1 ZINC000160813115 528197505 /nfs/dbraw/zinc/19/75/05/528197505.db2.gz HIXLZOINWQFIDU-UHFFFAOYSA-N 1 0 296.455 2.574 20 70 CFIDRO CC1CC[NH+](CC(=O)NCCc2cc3ccccc3[nH]2)CC1 ZINC000159533333 528229916 /nfs/dbraw/zinc/22/99/16/528229916.db2.gz CUZNXVXNEYVPJV-UHFFFAOYSA-N 1 0 299.418 2.559 20 70 CFIDRO CC(C)Cc1nc(C(=O)NCC2([NH3+])CCCCC2)cs1 ZINC000159674254 528665546 /nfs/dbraw/zinc/66/55/46/528665546.db2.gz RDXMZTBJKFAFNT-UHFFFAOYSA-N 1 0 295.452 2.733 20 70 CFIDRO CCOCCC[N@H+]1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000159633348 528671161 /nfs/dbraw/zinc/67/11/61/528671161.db2.gz ZQPJJJKGJFHFBX-HOCLYGCPSA-N 1 0 263.381 2.875 20 70 CFIDRO CCOCCC[N@@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000159633473 528671204 /nfs/dbraw/zinc/67/12/04/528671204.db2.gz ZQPJJJKGJFHFBX-ZBFHGGJFSA-N 1 0 263.381 2.875 20 70 CFIDRO CC[N@@H+]1CCCN(C(=O)NCC2CCC(C)CC2)CC1 ZINC000159742235 529022525 /nfs/dbraw/zinc/02/25/25/529022525.db2.gz NINGSRPNWITZAH-UHFFFAOYSA-N 1 0 281.444 2.550 20 70 CFIDRO CC[C@@H](C)N(C)CC[NH2+][C@@H]1CCc2ccccc2C1 ZINC000160077294 529344388 /nfs/dbraw/zinc/34/43/88/529344388.db2.gz DJTHYVGSPGUDFN-RHSMWYFYSA-N 1 0 260.425 2.864 20 70 CFIDRO Cc1ccc(Cl)c(OC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000159508853 232244396 /nfs/dbraw/zinc/24/43/96/232244396.db2.gz TVZAGAADBABGFQ-CYBMUJFWSA-N 1 0 283.799 2.874 20 70 CFIDRO NC(=[NH2+])NCc1ccc(Sc2ccccc2)cc1 ZINC000160376033 232248430 /nfs/dbraw/zinc/24/84/30/232248430.db2.gz OOPJPDOJXNVYOW-UHFFFAOYSA-N 1 0 257.362 2.821 20 70 CFIDRO O=c1cc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)nc2sccn21 ZINC000159648881 348013593 /nfs/dbraw/zinc/01/35/93/348013593.db2.gz HURNYOZONUTUCT-AAEUAGOBSA-N 1 0 289.404 2.521 20 70 CFIDRO CC(C)CN(CC(C)C)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160636769 348019848 /nfs/dbraw/zinc/01/98/48/348019848.db2.gz WMUWBVWHCNWJMN-INIZCTEOSA-N 1 0 295.471 2.794 20 70 CFIDRO CC(C)[NH2+]CCC(=O)N[C@H]1c2cccc(F)c2CC[C@@H]1C ZINC000161096890 348023158 /nfs/dbraw/zinc/02/31/58/348023158.db2.gz LKZZTEQMUPYTQG-YVEFUNNKSA-N 1 0 292.398 2.953 20 70 CFIDRO CC[C@H](C)[N@H+](C)CCN[C@@H]1CCCc2cccnc21 ZINC000217841327 539668871 /nfs/dbraw/zinc/66/88/71/539668871.db2.gz HLYSRKASHSCBQV-DZGCQCFKSA-N 1 0 261.413 2.779 20 70 CFIDRO C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(C[NH3+])cc1 ZINC000159878540 188445981 /nfs/dbraw/zinc/44/59/81/188445981.db2.gz AYNKDUWENGMRDU-KCXAZCMYSA-N 1 0 272.392 2.939 20 70 CFIDRO Cc1n[nH]cc1CCC[NH2+]Cc1cc(F)cc(F)c1 ZINC000159901490 188446449 /nfs/dbraw/zinc/44/64/49/188446449.db2.gz XCZUICGNTOWLOZ-UHFFFAOYSA-N 1 0 265.307 2.719 20 70 CFIDRO C[NH2+]C[C@H](C)C(=O)N1CCC[C@@H]1c1cccc(C)c1C ZINC000160722131 188487977 /nfs/dbraw/zinc/48/79/77/188487977.db2.gz SXFYJTIDWSUZOH-XJKSGUPXSA-N 1 0 274.408 2.822 20 70 CFIDRO COCC[C@@H](C)[NH2+][C@@H](CCCO)c1ccccc1 ZINC000160874357 188495254 /nfs/dbraw/zinc/49/52/54/188495254.db2.gz SJQZIVRQSJWRPX-HIFRSBDPSA-N 1 0 251.370 2.515 20 70 CFIDRO COCC[C@H](C)[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000161146290 188510907 /nfs/dbraw/zinc/51/09/07/188510907.db2.gz ATMWVINNXLKSHG-YVEFUNNKSA-N 1 0 291.391 2.924 20 70 CFIDRO CC[C@H](NC(=O)[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1F ZINC000161209363 188515840 /nfs/dbraw/zinc/51/58/40/188515840.db2.gz XAOXASBLRAAMDW-YGRLFVJLSA-N 1 0 282.334 2.532 20 70 CFIDRO CC(C)c1ccc(N(C)C(=O)C[C@@H]2CCC[NH2+]2)cc1 ZINC000161461059 188529270 /nfs/dbraw/zinc/52/92/70/188529270.db2.gz RTKCJAKGLINVLA-AWEZNQCLSA-N 1 0 260.381 2.915 20 70 CFIDRO CCCn1nccc1C[NH2+]CCc1cccc(F)c1 ZINC000160002687 540666765 /nfs/dbraw/zinc/66/67/65/540666765.db2.gz CPBDWAYAXQCMLZ-UHFFFAOYSA-N 1 0 261.344 2.765 20 70 CFIDRO CCCn1nccc1C[NH2+]CCc1ccccc1C ZINC000160175155 540669692 /nfs/dbraw/zinc/66/96/92/540669692.db2.gz SXVMORQVMTWZEL-UHFFFAOYSA-N 1 0 257.381 2.934 20 70 CFIDRO COc1cccc([C@H](C)CC(=O)N[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000160785175 540679261 /nfs/dbraw/zinc/67/92/61/540679261.db2.gz XXUJXOIRJHQAMO-SNPRPXQTSA-N 1 0 290.407 2.575 20 70 CFIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2ccccc2OC2CCC2)C1 ZINC000161012620 540686623 /nfs/dbraw/zinc/68/66/23/540686623.db2.gz GBKYYHARQYGWKC-STQMWFEESA-N 1 0 288.391 2.618 20 70 CFIDRO CC[C@H](CC1CCCC1)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161036188 540687630 /nfs/dbraw/zinc/68/76/30/540687630.db2.gz PCYXRCCGDWSGPZ-QLFBSQMISA-N 1 0 266.429 2.979 20 70 CFIDRO CC[C@H](Cc1ccccc1)N(C)C(=O)CC1([NH3+])CCC1 ZINC000161108101 540688543 /nfs/dbraw/zinc/68/85/43/540688543.db2.gz ORYDTMAZMSQZNM-OAHLLOKOSA-N 1 0 274.408 2.738 20 70 CFIDRO C[C@@H]1CN(C(=O)c2cc3ccc(F)cc3s2)C[C@H](C)[NH2+]1 ZINC000161204019 540690729 /nfs/dbraw/zinc/69/07/29/540690729.db2.gz JUPPHOCBKIOPSO-AOOOYVTPSA-N 1 0 292.379 2.863 20 70 CFIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2csc3c2CCCC3)C1 ZINC000161166730 540689802 /nfs/dbraw/zinc/68/98/02/540689802.db2.gz FFLLTDWCUJTSKR-MNOVXSKESA-N 1 0 278.421 2.627 20 70 CFIDRO Cc1nc(CC(C)C)sc1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000161209758 540691526 /nfs/dbraw/zinc/69/15/26/540691526.db2.gz HCEARHGMNVSGTF-VXGBXAGGSA-N 1 0 295.452 2.650 20 70 CFIDRO CC(C)CCO[C@@H]1CC[N@H+](Cc2cnc3ccccn23)C1 ZINC000161302464 540691744 /nfs/dbraw/zinc/69/17/44/540691744.db2.gz VYTBUOFDCWAZTC-MRXNPFEDSA-N 1 0 287.407 2.971 20 70 CFIDRO Fc1ccc(-c2cnn(C3CC[NH2+]CC3)c2)cc1F ZINC000216966455 541021173 /nfs/dbraw/zinc/02/11/73/541021173.db2.gz MPMAHBXTHANCJC-UHFFFAOYSA-N 1 0 263.291 2.753 20 70 CFIDRO OCC1(C[NH2+]Cc2cccc3cnccc32)CCCC1 ZINC000160092962 541021625 /nfs/dbraw/zinc/02/16/25/541021625.db2.gz WLUZSLXBIZPALK-UHFFFAOYSA-N 1 0 270.376 2.877 20 70 CFIDRO CS(=O)(=O)CCCC[N@H+](Cc1ccco1)C1CCCC1 ZINC000161492442 541660217 /nfs/dbraw/zinc/66/02/17/541660217.db2.gz OSNCQWPMXDLSMK-UHFFFAOYSA-N 1 0 299.436 2.849 20 70 CFIDRO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@@H]1c1sccc1C ZINC000159907956 378737325 /nfs/dbraw/zinc/73/73/25/378737325.db2.gz IULSHZLAZQHTBV-MELADBBJSA-N 1 0 292.448 2.761 20 70 CFIDRO CCc1ccc([C@H](C)CC(=O)NCC(C)(C)[NH3+])cc1 ZINC000159969330 378740579 /nfs/dbraw/zinc/74/05/79/378740579.db2.gz QIBUNXNZKNQSNP-GFCCVEGCSA-N 1 0 262.397 2.596 20 70 CFIDRO C[C@H]1CCC[C@H](C(=O)NCC[NH+]2CCCCCC2)C1 ZINC000160222084 378757517 /nfs/dbraw/zinc/75/75/17/378757517.db2.gz XOLCUAVEMPATRO-GJZGRUSLSA-N 1 0 266.429 2.805 20 70 CFIDRO Cc1ccc(C(=O)CC[N@@H+](C)C[C@@H]2CCOC2)cc1 ZINC000160026299 378743746 /nfs/dbraw/zinc/74/37/46/378743746.db2.gz BRGLELLQJAPUCA-AWEZNQCLSA-N 1 0 261.365 2.536 20 70 CFIDRO CC[C@@H](C(=O)N[C@H]1CCSc2c(F)cccc21)[NH+](C)C ZINC000160097544 378748730 /nfs/dbraw/zinc/74/87/30/378748730.db2.gz ABBFACKOQWJTPW-STQMWFEESA-N 1 0 296.411 2.819 20 70 CFIDRO [NH3+]CCCNC(=O)C1(c2cccc(Cl)c2)CCCC1 ZINC000160142958 378752453 /nfs/dbraw/zinc/75/24/53/378752453.db2.gz BVSKIUFHSIXTKL-UHFFFAOYSA-N 1 0 280.799 2.617 20 70 CFIDRO Cc1c(C[NH2+]Cc2cc3ccccc3o2)cnn1C ZINC000160175461 378754333 /nfs/dbraw/zinc/75/43/33/378754333.db2.gz NNGFRENOAGNYPB-UHFFFAOYSA-N 1 0 255.321 2.765 20 70 CFIDRO Cc1n[nH]cc1C[NH2+]C(C)(C)CN(C)Cc1ccccc1 ZINC000159374302 378704900 /nfs/dbraw/zinc/70/49/00/378704900.db2.gz HQNAFPOEZMEXSU-UHFFFAOYSA-N 1 0 286.423 2.718 20 70 CFIDRO COc1ccc([C@@H](CCO)[NH2+][C@H](C)c2ccccn2)cc1 ZINC000159392156 378706452 /nfs/dbraw/zinc/70/64/52/378706452.db2.gz ZZECISNDHDJTDR-CXAGYDPISA-N 1 0 286.375 2.865 20 70 CFIDRO CC(C)[C@@H](C(=O)N1CC[NH2+]CC1)c1cccc(Cl)c1 ZINC000159393999 378707752 /nfs/dbraw/zinc/70/77/52/378707752.db2.gz ZGMHOTXMXNKUGK-CQSZACIVSA-N 1 0 280.799 2.511 20 70 CFIDRO Cc1cc(C)cc(CC[NH2+][C@H](C)c2cnn(C)c2)c1 ZINC000159478367 378712445 /nfs/dbraw/zinc/71/24/45/378712445.db2.gz BRNLKNDKXNNTTN-CQSZACIVSA-N 1 0 257.381 2.930 20 70 CFIDRO Cn1c(C[NH2+][C@H]2[C@H]3CCO[C@@H]3C23CCC3)nc2ccccc21 ZINC000159571609 378717774 /nfs/dbraw/zinc/71/77/74/378717774.db2.gz UETVFZYZLOFARS-DQYPLSBCSA-N 1 0 297.402 2.621 20 70 CFIDRO C[NH2+]CC(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000159589464 378718423 /nfs/dbraw/zinc/71/84/23/378718423.db2.gz BICGQEIMZQRZPI-UHFFFAOYSA-N 1 0 294.754 2.855 20 70 CFIDRO CCc1ccc([C@@H](C)[NH2+]CCCN2CCCC2=O)o1 ZINC000159587312 378718844 /nfs/dbraw/zinc/71/88/44/378718844.db2.gz NMGNSPUYPCWVDZ-GFCCVEGCSA-N 1 0 264.369 2.505 20 70 CFIDRO CCn1nc(C[NH2+]CCOC(C)C)c2ccccc21 ZINC000160203672 378755885 /nfs/dbraw/zinc/75/58/85/378755885.db2.gz VYFYMNGYZWJMNY-UHFFFAOYSA-N 1 0 261.369 2.571 20 70 CFIDRO C[C@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1ccco1 ZINC000160198694 378756007 /nfs/dbraw/zinc/75/60/07/378756007.db2.gz JUNQQDFPKUFGIV-LBPRGKRZSA-N 1 0 288.347 2.828 20 70 CFIDRO Clc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cn1 ZINC000159649124 378723055 /nfs/dbraw/zinc/72/30/55/378723055.db2.gz XNIGWSPBNSIARK-YUTCNCBUSA-N 1 0 278.783 2.782 20 70 CFIDRO C[C@@H]([NH2+]CCCc1cccc(F)c1)[C@@H]1CCOC1 ZINC000159755300 378729274 /nfs/dbraw/zinc/72/92/74/378729274.db2.gz TVMAFEFMBOZSMB-TZMCWYRMSA-N 1 0 251.345 2.773 20 70 CFIDRO CCC[C@H]([NH3+])C(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000159811668 378732493 /nfs/dbraw/zinc/73/24/93/378732493.db2.gz HZOMLMNITPCLER-OCCSQVGLSA-N 1 0 280.799 2.783 20 70 CFIDRO CCn1cc(C[N@H+](C)Cc2ccc(OC)cc2)cn1 ZINC000159852875 378734359 /nfs/dbraw/zinc/73/43/59/378734359.db2.gz WBIWKKGWZZNELV-UHFFFAOYSA-N 1 0 259.353 2.544 20 70 CFIDRO C[NH+](C)C[C@@H]1CCN(C(=O)CC/C=C/c2ccccc2)C1 ZINC000160273963 378760850 /nfs/dbraw/zinc/76/08/50/378760850.db2.gz PLIYOKWTCREZSY-BHMZLHOFSA-N 1 0 286.419 2.890 20 70 CFIDRO CO[C@@]1(C[NH2+]C[C@H]2CCCc3ccccc32)CCOC1 ZINC000160361455 378767257 /nfs/dbraw/zinc/76/72/57/378767257.db2.gz AZLVKCWGTJVWQJ-NVXWUHKLSA-N 1 0 275.392 2.502 20 70 CFIDRO C[C@H]1C[C@@H](NC(=O)NC(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC000160381041 378768387 /nfs/dbraw/zinc/76/83/87/378768387.db2.gz LEHPUYOQHDYEJS-DZGCQCFKSA-N 1 0 289.423 2.747 20 70 CFIDRO CC(C)N(C)C(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160380492 378768985 /nfs/dbraw/zinc/76/89/85/378768985.db2.gz XCBZKZPTLOSQNC-GOEBONIOSA-N 1 0 289.423 2.699 20 70 CFIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(C)c(C)c1)CC2 ZINC000160414470 378770512 /nfs/dbraw/zinc/77/05/12/378770512.db2.gz XURVSWYOEZYOHA-BBRMVZONSA-N 1 0 284.407 2.869 20 70 CFIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(Cl)c[nH]1 ZINC000160450334 378774152 /nfs/dbraw/zinc/77/41/52/378774152.db2.gz KJDPQWQWMBBWKO-GFCCVEGCSA-N 1 0 283.803 2.518 20 70 CFIDRO [NH3+][C@H]1CCC[C@H](C(=O)NCCc2cc3ccccc3o2)C1 ZINC000160486969 378776087 /nfs/dbraw/zinc/77/60/87/378776087.db2.gz PLWPKODGETWBRV-KBPBESRZSA-N 1 0 286.375 2.609 20 70 CFIDRO O=C(C[C@H]1CCC[NH2+]1)NC1(c2cccc(Cl)c2)CC1 ZINC000160523297 378778556 /nfs/dbraw/zinc/77/85/56/378778556.db2.gz IJJUQXPLVVOQLZ-CYBMUJFWSA-N 1 0 278.783 2.587 20 70 CFIDRO CCCn1nc(C)c(C[NH2+][C@H]2CCOC(C)(C)C2)c1C ZINC000160532524 378779532 /nfs/dbraw/zinc/77/95/32/378779532.db2.gz OCRAHFZMVACXQL-AWEZNQCLSA-N 1 0 279.428 2.957 20 70 CFIDRO COc1cc([C@H](C)[NH2+]CC(C)(C)O)ccc1SC ZINC000160636767 378788249 /nfs/dbraw/zinc/78/82/49/378788249.db2.gz MVEDGASFRCYSEX-JTQLQIEISA-N 1 0 269.410 2.839 20 70 CFIDRO [NH3+][C@@H]1CC[C@H](C(=O)Nc2ccc(F)cc2OCC2CC2)C1 ZINC000160677928 378791002 /nfs/dbraw/zinc/79/10/02/378791002.db2.gz XLJVKWKHANBTSF-WCQYABFASA-N 1 0 292.354 2.680 20 70 CFIDRO Cc1ccc(OCCC[NH+]2CCC(C)(O)CC2)cc1C ZINC000161207275 378830993 /nfs/dbraw/zinc/83/09/93/378830993.db2.gz VFUWDPIMNBUXLC-UHFFFAOYSA-N 1 0 277.408 2.919 20 70 CFIDRO Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)[C@H](C)[NH3+])cc1 ZINC000161233827 378832158 /nfs/dbraw/zinc/83/21/58/378832158.db2.gz AURGJYPCEQUJAM-IPYPFGDCSA-N 1 0 260.381 2.642 20 70 CFIDRO Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)[C@@H](C)[NH3+])cc1 ZINC000161235111 378832279 /nfs/dbraw/zinc/83/22/79/378832279.db2.gz AURGJYPCEQUJAM-GZBFAFLISA-N 1 0 260.381 2.642 20 70 CFIDRO CCc1ccc(C(C)(C)CNC(=O)[C@H]2CC[C@H]([NH3+])C2)cc1 ZINC000160867595 378806457 /nfs/dbraw/zinc/80/64/57/378806457.db2.gz GZOPLOCZLXXZPH-HOCLYGCPSA-N 1 0 288.435 2.770 20 70 CFIDRO C[C@@H](NC(=O)[C@H](C)[NH3+])c1cccc(Cl)c1Cl ZINC000160985615 378813827 /nfs/dbraw/zinc/81/38/27/378813827.db2.gz NBARJVOQTJUJBK-NKWVEPMBSA-N 1 0 261.152 2.518 20 70 CFIDRO CCCn1ccc2ccc(NC(=O)[C@@H]3CCC[NH2+]C3)cc21 ZINC000161282116 378835319 /nfs/dbraw/zinc/83/53/19/378835319.db2.gz OADRDOSIODRGKT-CQSZACIVSA-N 1 0 285.391 2.989 20 70 CFIDRO CCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000161054702 378817448 /nfs/dbraw/zinc/81/74/48/378817448.db2.gz TYMSFHKSOZJNNX-OWCLPIDISA-N 1 0 274.408 2.641 20 70 CFIDRO CCC[N@H+](CCc1cccc(F)c1)CC(OC)OC ZINC000161110637 378823218 /nfs/dbraw/zinc/82/32/18/378823218.db2.gz MMYFIHIIXMBQQN-UHFFFAOYSA-N 1 0 269.360 2.699 20 70 CFIDRO CCC[C@H]([NH3+])C(=O)NC(C)(C)c1cccc(Cl)c1 ZINC000161163153 378827306 /nfs/dbraw/zinc/82/73/06/378827306.db2.gz FDWXRNFVLSCNQL-LBPRGKRZSA-N 1 0 268.788 2.819 20 70 CFIDRO Cc1ccc([C@H](C)CNC(=O)C2([NH3+])CCCCC2)cc1 ZINC000161170990 378827548 /nfs/dbraw/zinc/82/75/48/378827548.db2.gz YRHMZXRREYUIKV-CQSZACIVSA-N 1 0 274.408 2.876 20 70 CFIDRO [NH3+]C1(C(=O)Nc2ccc(OC3CCCC3)c(F)c2)CC1 ZINC000161333547 378839876 /nfs/dbraw/zinc/83/98/76/378839876.db2.gz DNNGXIDMWIWYSL-UHFFFAOYSA-N 1 0 278.327 2.577 20 70 CFIDRO C[NH2+]C[C@H]1CCCN1C(=O)C[C@H](C)Cc1cccc(F)c1 ZINC000161357352 378841392 /nfs/dbraw/zinc/84/13/92/378841392.db2.gz RZDWMMNSNAGIDA-CZUORRHYSA-N 1 0 292.398 2.605 20 70 CFIDRO C[C@@]1(C(=O)NCCc2cccc3ccccc32)CCC[NH2+]C1 ZINC000161375199 378842423 /nfs/dbraw/zinc/84/24/23/378842423.db2.gz FPSCWUMCNWVBNM-LJQANCHMSA-N 1 0 296.414 2.888 20 70 CFIDRO CCN(CCC[NH+]1CCCCC1)Cc1ccccn1 ZINC000161409297 378844148 /nfs/dbraw/zinc/84/41/48/378844148.db2.gz XVXLDHWTGXOAPA-UHFFFAOYSA-N 1 0 261.413 2.780 20 70 CFIDRO COCCN(CCC[NH+]1CCCCC1)Cc1ccc(C)o1 ZINC000161411844 378844813 /nfs/dbraw/zinc/84/48/13/378844813.db2.gz AJHCQAQOFIHXFW-UHFFFAOYSA-N 1 0 294.439 2.912 20 70 CFIDRO CN(Cc1cc2ccccc2o1)C(=O)C[C@H]1CCC[NH2+]1 ZINC000161416866 378845939 /nfs/dbraw/zinc/84/59/39/378845939.db2.gz LQTUBUGQIOVKJZ-CYBMUJFWSA-N 1 0 272.348 2.533 20 70 CFIDRO CCOC(=O)[C@H]1CC[C@@H]([NH2+]Cc2ccco2)C[C@@H]1C ZINC000161481231 378851013 /nfs/dbraw/zinc/85/10/13/378851013.db2.gz SOFMJNFLZMULJW-SCRDCRAPSA-N 1 0 265.353 2.737 20 70 CFIDRO Cc1nccc(NC[C@@H]2CCC[N@@H+](CC(C)C)C2)n1 ZINC000161296206 378837338 /nfs/dbraw/zinc/83/73/38/378837338.db2.gz GXRSNLWUPORWPC-AWEZNQCLSA-N 1 0 262.401 2.565 20 70 CFIDRO CS[C@H](C)CC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000159483036 322323329 /nfs/dbraw/zinc/32/33/29/322323329.db2.gz WMDONZQCJWQEGT-HZSPNIEDSA-N 1 0 286.485 2.612 20 70 CFIDRO CS[C@@H](C)CC(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000161378190 295632822 /nfs/dbraw/zinc/63/28/22/295632822.db2.gz HLDNGRBEEZUZJQ-DZGCQCFKSA-N 1 0 294.464 2.856 20 70 CFIDRO C[C@H](N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc(O)c1 ZINC000217687614 382787505 /nfs/dbraw/zinc/78/75/05/382787505.db2.gz GGXFZWPPOZNQBR-RCBQFDQVSA-N 1 0 260.381 2.670 20 70 CFIDRO C[C@@H]1C[C@H]([NH2+]CCO)c2cccc(Br)c21 ZINC000159706738 394365600 /nfs/dbraw/zinc/36/56/00/394365600.db2.gz QTXGXCJEDOVNNH-KCJUWKMLSA-N 1 0 270.170 2.579 20 70 CFIDRO Cc1ccc(-c2cc(CN(C)[C@H](C[NH3+])C3CC3)on2)cc1 ZINC000160018255 394366008 /nfs/dbraw/zinc/36/60/08/394366008.db2.gz NUEPYNTYAAREPY-QGZVFWFLSA-N 1 0 285.391 2.819 20 70 CFIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1 ZINC000160514593 394366367 /nfs/dbraw/zinc/36/63/67/394366367.db2.gz NLEOVNVUEWQTFJ-OAHLLOKOSA-N 1 0 260.381 2.537 20 70 CFIDRO CC[C@@H](C)C[N@H+](CC)[C@@H](C)C(=O)Nc1cc(C)no1 ZINC000160515012 394366535 /nfs/dbraw/zinc/36/65/35/394366535.db2.gz UDZMCBHXLWCWFC-PWSUYJOCSA-N 1 0 267.373 2.678 20 70 CFIDRO CCn1cnnc1CN[C@@H](C)c1ccc(Cl)c(F)c1 ZINC000218231311 397621146 /nfs/dbraw/zinc/62/11/46/397621146.db2.gz JUVCDBLBTUOGGD-VIFPVBQESA-N 1 0 282.750 2.941 20 70 CFIDRO CO[C@]1(C[NH2+]C2CCC(C(F)(F)F)CC2)CCOC1 ZINC000160124325 286173590 /nfs/dbraw/zinc/17/35/90/286173590.db2.gz JZXZYCPLMFHACF-MCIGGMRASA-N 1 0 281.318 2.503 20 70 CFIDRO CCO[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])CC(C)C)C12CCCCC2 ZINC000161182887 286271129 /nfs/dbraw/zinc/27/11/29/286271129.db2.gz DINMGSCHLDJQLY-RRFJBIMHSA-N 1 0 296.455 2.604 20 70 CFIDRO C[C@@H]([NH2+][C@H]1CCC[C@@H](C)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000218055146 287067885 /nfs/dbraw/zinc/06/78/85/287067885.db2.gz YUFWAPWWVRJZKQ-BZPMIXESSA-N 1 0 296.436 2.563 20 70 CFIDRO CC1(C)C[C@H](NC(=O)C[C@H]2CCC[NH2+]2)c2ccccc2O1 ZINC000160345331 273588242 /nfs/dbraw/zinc/58/82/42/273588242.db2.gz ILQPSGOUJVWETC-OCCSQVGLSA-N 1 0 288.391 2.547 20 70 CFIDRO CCC[C@@H](C)[C@H](CC)[NH2+][C@@H]1CCc2nc(C)nn2C1 ZINC000160469124 276270050 /nfs/dbraw/zinc/27/00/50/276270050.db2.gz UMEGXYUYRPPMQN-BNOWGMLFSA-N 1 0 264.417 2.706 20 70 CFIDRO CC[C@@H]([NH2+][C@@H]1CCc2nc(C)nn2C1)C1CCCCC1 ZINC000160560903 276440196 /nfs/dbraw/zinc/44/01/96/276440196.db2.gz GZLMQGINRIYBSS-HUUCEWRRSA-N 1 0 276.428 2.850 20 70 CFIDRO CC[C@H]([NH2+][C@H]1CCc2nc(C)nn2C1)C1CCCCC1 ZINC000160561025 276593248 /nfs/dbraw/zinc/59/32/48/276593248.db2.gz GZLMQGINRIYBSS-GJZGRUSLSA-N 1 0 276.428 2.850 20 70 CFIDRO CC[C@H]([NH3+])C(=O)N1CC2(CCCC2)c2ccccc21 ZINC000161014044 287924992 /nfs/dbraw/zinc/92/49/92/287924992.db2.gz NHSCSVAVWPOFFN-ZDUSSCGKSA-N 1 0 258.365 2.582 20 70 CFIDRO CCC(CC)(C[NH3+])C(=O)NCC1(CC(C)C)CC1 ZINC000161258837 282070159 /nfs/dbraw/zinc/07/01/59/282070159.db2.gz CNQOCNIUDXAESG-UHFFFAOYSA-N 1 0 254.418 2.694 20 70 CFIDRO C[N@@H+]1CCC[C@@H](CNC(=O)CC/C=C/c2ccccc2)C1 ZINC000159506611 322323483 /nfs/dbraw/zinc/32/34/83/322323483.db2.gz APLWBVCANVPUCA-HQWZXOHUSA-N 1 0 286.419 2.938 20 70 CFIDRO C[N@H+](CCOc1ccccc1Cl)C[C@H]1CCC[C@@H]1O ZINC000159487537 322323504 /nfs/dbraw/zinc/32/35/04/322323504.db2.gz PPUCRZWAUXTTBM-OCCSQVGLSA-N 1 0 283.799 2.812 20 70 CFIDRO C[N@H+](CCc1ccccc1Cl)C[C@H]1CCC[C@@H]1O ZINC000159586163 322324726 /nfs/dbraw/zinc/32/47/26/322324726.db2.gz DQFDFJWVVMWPPE-HIFRSBDPSA-N 1 0 267.800 2.975 20 70 CFIDRO Cc1ccccc1[C@H](C)[NH2+]CCOC[C@H]1CCCO1 ZINC000159644427 322325743 /nfs/dbraw/zinc/32/57/43/322325743.db2.gz UEGGNUXHICDCSL-LSDHHAIUSA-N 1 0 263.381 2.841 20 70 CFIDRO CC1(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000159664201 322326205 /nfs/dbraw/zinc/32/62/05/322326205.db2.gz MYVZFYXINULQEH-OAHLLOKOSA-N 1 0 272.392 2.740 20 70 CFIDRO C[C@@H]([NH2+]C[C@H](C)N1CCc2ccccc2C1)c1cnccn1 ZINC000159807088 322328534 /nfs/dbraw/zinc/32/85/34/322328534.db2.gz CGSUFVRILURWSX-LSDHHAIUSA-N 1 0 296.418 2.574 20 70 CFIDRO C[C@H](CNC(=O)C1CCC(C)(C)CC1)[N@H+](C)C1CC1 ZINC000159917272 322330490 /nfs/dbraw/zinc/33/04/90/322330490.db2.gz CLTDTLDHRIJGAU-GFCCVEGCSA-N 1 0 266.429 2.802 20 70 CFIDRO CCCC[N@H+](C)CCNC(=O)[C@H](C)c1cccs1 ZINC000159952001 322330827 /nfs/dbraw/zinc/33/08/27/322330827.db2.gz RKLKJHJASSEUCL-GFCCVEGCSA-N 1 0 268.426 2.700 20 70 CFIDRO CC[C@H](C)Oc1ccccc1/C=C/C(=O)NCC(C)(C)[NH3+] ZINC000160002032 322331518 /nfs/dbraw/zinc/33/15/18/322331518.db2.gz PWLUHEOPKTVOMS-NHAQELONSA-N 1 0 290.407 2.731 20 70 CFIDRO CO[C@@]1(C[NH2+]Cc2ccc(C(F)F)cc2)CCOC1 ZINC000160106869 322333032 /nfs/dbraw/zinc/33/30/32/322333032.db2.gz IUZQNGUMVQULGV-CQSZACIVSA-N 1 0 271.307 2.519 20 70 CFIDRO CC1CCC(O)(C[NH+]2CCN(c3cccs3)CC2)CC1 ZINC000160305926 322336418 /nfs/dbraw/zinc/33/64/18/322336418.db2.gz CNAVNNMDDDJQGC-UHFFFAOYSA-N 1 0 294.464 2.811 20 70 CFIDRO CC(C)(C(=O)N1CC[NH+](CC2CC2)CC1)C1CCCC1 ZINC000160428310 322338003 /nfs/dbraw/zinc/33/80/03/322338003.db2.gz WGBIDFMOWPBEEZ-UHFFFAOYSA-N 1 0 278.440 2.757 20 70 CFIDRO CCc1cc(=O)[nH]c(C[N@H+](C)C2CCC(C)CC2)n1 ZINC000160561117 322339401 /nfs/dbraw/zinc/33/94/01/322339401.db2.gz NFTMSDAVOGVMCU-UHFFFAOYSA-N 1 0 263.385 2.755 20 70 CFIDRO O=C(NCCCF)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000160734389 322342455 /nfs/dbraw/zinc/34/24/55/322342455.db2.gz PKUGECNLRMIVQX-UHFFFAOYSA-N 1 0 299.434 2.644 20 70 CFIDRO CC[N@H+](CCCS(=O)(=O)C(C)C)C1CCCCC1 ZINC000160764495 322342914 /nfs/dbraw/zinc/34/29/14/322342914.db2.gz GHQITAVQUFPRSP-UHFFFAOYSA-N 1 0 275.458 2.854 20 70 CFIDRO CS[C@H](C)CC(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000160992295 322345913 /nfs/dbraw/zinc/34/59/13/322345913.db2.gz ZGVCRZHSPVVLPW-IGQOVBAYSA-N 1 0 286.485 2.611 20 70 CFIDRO C[C@@H](CC1CCOCC1)[NH2+][C@H](CCO)c1ccccc1 ZINC000161103463 322346844 /nfs/dbraw/zinc/34/68/44/322346844.db2.gz AIGQUKBIAGLZSR-WMLDXEAASA-N 1 0 277.408 2.905 20 70 CFIDRO CCCC[C@@H](COC)[NH2+]CCc1ccc2c(c1)OCO2 ZINC000161134812 322347496 /nfs/dbraw/zinc/34/74/96/322347496.db2.gz NOZGLUHYGVYEMQ-AWEZNQCLSA-N 1 0 279.380 2.753 20 70 CFIDRO CCC[C@H](C(=O)NCC(C)(C)C[NH+](C)C)C(C)C ZINC000161140203 322348115 /nfs/dbraw/zinc/34/81/15/322348115.db2.gz AGVTVTAKNVTDDV-ZDUSSCGKSA-N 1 0 256.434 2.763 20 70 CFIDRO Cc1ccc([C@H](C)CNC(=O)CC[NH2+]C(C)C)cc1 ZINC000161169244 322348147 /nfs/dbraw/zinc/34/81/47/322348147.db2.gz WRVJYTLRZPZBDM-CQSZACIVSA-N 1 0 262.397 2.603 20 70 CFIDRO CCC[N@H+](CCO)Cc1ccc(OCC(C)C)cc1 ZINC000161210820 322348692 /nfs/dbraw/zinc/34/86/92/322348692.db2.gz FEDJWLAGVFEFSQ-UHFFFAOYSA-N 1 0 265.397 2.926 20 70 CFIDRO CC[C@H]1CCCC[C@H]1[NH2+]C1CCC(NC(C)=O)CC1 ZINC000161421883 322351256 /nfs/dbraw/zinc/35/12/56/322351256.db2.gz LDEYWDGHBRYSOG-SLTXQBBLSA-N 1 0 266.429 2.992 20 70 CFIDRO CC[C@@H](COC)[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000160036229 522591503 /nfs/dbraw/zinc/59/15/03/522591503.db2.gz DNZMWFXEFIQADO-ZDUSSCGKSA-N 1 0 296.377 2.665 20 70 CFIDRO CC(C)(O)C[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000160606768 519361214 /nfs/dbraw/zinc/36/12/14/519361214.db2.gz ACPRZJMUYNCESG-UHFFFAOYSA-N 1 0 296.842 2.665 20 70 CFIDRO CC(=O)NC1CCC([NH2+]CCC2=CCCCC2)CC1 ZINC000161242487 519644474 /nfs/dbraw/zinc/64/44/74/519644474.db2.gz DUHNTXKBCRUORE-UHFFFAOYSA-N 1 0 264.413 2.914 20 70 CFIDRO CC(C)[N@H+](CCc1nccs1)C[C@H]1CCCO1 ZINC000159873623 519651349 /nfs/dbraw/zinc/65/13/49/519651349.db2.gz SUDPLNOSACADDG-GFCCVEGCSA-N 1 0 254.399 2.575 20 70 CFIDRO CC(C)CO[C@H]1C[C@@H]([NH2+]CC2(CO)CCCC2)C1(C)C ZINC000160106855 519761812 /nfs/dbraw/zinc/76/18/12/519761812.db2.gz CMVOORDXYHSJQC-CABCVRRESA-N 1 0 283.456 2.968 20 70 CFIDRO CC(C)[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000160686724 519809217 /nfs/dbraw/zinc/80/92/17/519809217.db2.gz IWFUJUDHYPZWRU-BBWFWOEESA-N 1 0 286.419 2.779 20 70 CFIDRO CCCCCC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160212412 519942525 /nfs/dbraw/zinc/94/25/25/519942525.db2.gz MOJPITFZUNEDBR-OKILXGFUSA-N 1 0 266.429 2.946 20 70 CFIDRO CCCCSCCC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000159894775 520951343 /nfs/dbraw/zinc/95/13/43/520951343.db2.gz MYZGDMIEIBFPFE-CQSZACIVSA-N 1 0 286.485 2.900 20 70 CFIDRO CCOc1ccc([C@H](C)[NH2+][C@@H](CCO)CSC)cc1 ZINC000160403949 521260721 /nfs/dbraw/zinc/26/07/21/521260721.db2.gz GARFCEFOFIUSCH-JSGCOSHPSA-N 1 0 283.437 2.850 20 70 CFIDRO CCC(CC)CNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000160555038 521527710 /nfs/dbraw/zinc/52/77/10/521527710.db2.gz GQMNJQTWBAPSDZ-HNNXBMFYSA-N 1 0 281.444 2.692 20 70 CFIDRO CCN1CCCC[C@@H]1C[NH2+][C@@H](C)c1cncs1 ZINC000161173583 521597202 /nfs/dbraw/zinc/59/72/02/521597202.db2.gz WGAISUPGXRXSGC-NWDGAFQWSA-N 1 0 253.415 2.668 20 70 CFIDRO CC[C@H](C)c1cc(C(=O)NCC[N@@H+]2CCCC[C@@H]2C)on1 ZINC000160581856 522029154 /nfs/dbraw/zinc/02/91/54/522029154.db2.gz OYRLICWMAUMBPR-STQMWFEESA-N 1 0 293.411 2.792 20 70 CFIDRO CC[C@@H](C)OCC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000160031004 522243623 /nfs/dbraw/zinc/24/36/23/522243623.db2.gz SXXJNWYKECZOAW-CQSZACIVSA-N 1 0 296.455 2.715 20 70 CFIDRO CCc1nnc(C[N@@H+]2CCC[C@H]2C(C)(C)CC)[nH]1 ZINC000159450236 522308566 /nfs/dbraw/zinc/30/85/66/522308566.db2.gz QWHZNBZVZZIHDE-NSHDSACASA-N 1 0 250.390 2.768 20 70 CFIDRO COC[C@@H]([NH2+]CCCc1nc2c(s1)CCCC2)C1CC1 ZINC000160636907 522352136 /nfs/dbraw/zinc/35/21/36/522352136.db2.gz HHCBXVVEOYROLX-CQSZACIVSA-N 1 0 294.464 2.969 20 70 CFIDRO COC(C[N@@H+]1CC[C@H](c2ccccc2)[C@H](C)C1)OC ZINC000161255200 522532884 /nfs/dbraw/zinc/53/28/84/522532884.db2.gz LCKNAHKVQZQYDN-HIFRSBDPSA-N 1 0 263.381 2.731 20 70 CFIDRO CC[C@@H]([NH2+][C@@H](C(N)=O)C(C)C)c1ccc(F)cc1F ZINC000160897557 522907465 /nfs/dbraw/zinc/90/74/65/522907465.db2.gz SMKCYINFONRYFN-CHWSQXEVSA-N 1 0 270.323 2.515 20 70 CFIDRO COc1cc([C@H](C)[NH2+][C@@H](CCO)C(C)C)ccc1F ZINC000218261840 522944611 /nfs/dbraw/zinc/94/46/11/522944611.db2.gz XHQHLKNLJMAONQ-FZMZJTMJSA-N 1 0 269.360 2.892 20 70 CFIDRO CC[C@@H]([NH2+][C@H]1CCc2nc(C)nn2C1)c1cccs1 ZINC000160418999 522954263 /nfs/dbraw/zinc/95/42/63/522954263.db2.gz LKCACRNRYNIRRT-NWDGAFQWSA-N 1 0 276.409 2.704 20 70 CFIDRO COCc1cccc(C[NH2+]C[C@@H]2CCC(C)(C)O2)c1 ZINC000160226788 523053623 /nfs/dbraw/zinc/05/36/23/523053623.db2.gz MZOKZHSGQSFRKP-HNNXBMFYSA-N 1 0 263.381 2.880 20 70 CFIDRO CN(C(=O)c1ccc2ccccc2c1)[C@@H](C[NH3+])C1CC1 ZINC000159892999 523941070 /nfs/dbraw/zinc/94/10/70/523941070.db2.gz OIOKPNUSTREVML-INIZCTEOSA-N 1 0 268.360 2.649 20 70 CFIDRO CN(C(=O)c1cccc(C(F)(F)F)c1)[C@@H](C[NH3+])C1CC1 ZINC000159800831 523943001 /nfs/dbraw/zinc/94/30/01/523943001.db2.gz JHKWVZPIJRYQNY-LBPRGKRZSA-N 1 0 286.297 2.515 20 70 CFIDRO Cc1ccc2oc(C(=O)N(C)[C@@H](C[NH3+])C3CC3)cc2c1 ZINC000159840379 524088676 /nfs/dbraw/zinc/08/86/76/524088676.db2.gz FLGODIQCHJDIKN-ZDUSSCGKSA-N 1 0 272.348 2.551 20 70 CFIDRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cccc(Cl)c1F ZINC000159675219 524390081 /nfs/dbraw/zinc/39/00/81/524390081.db2.gz NDXKTWWISKPUCK-ONGXEEELSA-N 1 0 284.762 2.565 20 70 CFIDRO Cc1cc(C)cc(OCCC[N@@H+](C)[C@@H](CN)C2CC2)c1 ZINC000159977905 524442585 /nfs/dbraw/zinc/44/25/85/524442585.db2.gz WIFRWEZMEBYWQG-KRWDZBQOSA-N 1 0 276.424 2.741 20 70 CFIDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)c1nc(C(C)(C)C)ns1 ZINC000159860836 524560103 /nfs/dbraw/zinc/56/01/03/524560103.db2.gz RJMZSMQZZUPTIL-QWRGUYRKSA-N 1 0 282.457 2.612 20 70 CFIDRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1nc(C(C)(C)C)ns1 ZINC000159475038 524687209 /nfs/dbraw/zinc/68/72/09/524687209.db2.gz DMIXABLNBZWOHH-WDEREUQCSA-N 1 0 280.441 2.509 20 70 CFIDRO Cc1cccc([C@H]2CCC[N@@H+]2Cc2cccc(C(N)=O)c2)n1 ZINC000159879192 524894939 /nfs/dbraw/zinc/89/49/39/524894939.db2.gz HXGBXHOUZWSKAK-QGZVFWFLSA-N 1 0 295.386 2.826 20 70 CFIDRO C[C@@H]1C[C@@H](Nc2nc(C(C)(C)C)ns2)C[N@@H+]1C1CC1 ZINC000159912624 525276394 /nfs/dbraw/zinc/27/63/94/525276394.db2.gz VCNRIBBZJXHWJA-NXEZZACHSA-N 1 0 280.441 2.873 20 70 CFIDRO CSCCCCC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000159515234 525396886 /nfs/dbraw/zinc/39/68/86/525396886.db2.gz FQXLSSUFHLSJRS-UHFFFAOYSA-N 1 0 284.469 2.607 20 70 CFIDRO C[C@@H]([NH2+]CCCc1nc2c(s1)CCCC2)[C@H]1CCOC1 ZINC000160590904 525443216 /nfs/dbraw/zinc/44/32/16/525443216.db2.gz OLECDFYMABUREJ-OLZOCXBDSA-N 1 0 294.464 2.969 20 70 CFIDRO C[C@@H]([NH2+]C[C@@H](C1CCCCC1)N(C)C)[C@@H]1CCOC1 ZINC000160396648 525472844 /nfs/dbraw/zinc/47/28/44/525472844.db2.gz PZENLXXABSUEQI-BMFZPTHFSA-N 1 0 268.445 2.512 20 70 CFIDRO COc1ccc2c(c1)[C@@H]([NH2+]CC1(CO)CCCC1)CC2 ZINC000160115318 525573929 /nfs/dbraw/zinc/57/39/29/525573929.db2.gz FBKUTCKAZMNIJK-INIZCTEOSA-N 1 0 275.392 2.825 20 70 CFIDRO CSC[C@@H](CCO)[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000160397080 525641234 /nfs/dbraw/zinc/64/12/34/525641234.db2.gz AEIQYPQWJWNMJX-GXTWGEPZSA-N 1 0 253.411 2.760 20 70 CFIDRO Cc1noc(C)c1CN1CC[NH+](CCC2CCCC2)CC1 ZINC000159712513 526504017 /nfs/dbraw/zinc/50/40/17/526504017.db2.gz ZKICIQDYACUGHT-UHFFFAOYSA-N 1 0 291.439 2.989 20 70 CFIDRO c1nc2ccccn2c1C[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000160983183 526610095 /nfs/dbraw/zinc/61/00/95/526610095.db2.gz TUQAQGGOZZEQAE-KBPBESRZSA-N 1 0 255.365 2.956 20 70 CFIDRO NC(=O)c1cccc(C[NH2+]Cc2cc(F)cc(Cl)c2)c1 ZINC000160834900 527081961 /nfs/dbraw/zinc/08/19/61/527081961.db2.gz UPFWVLCUPKDDIG-UHFFFAOYSA-N 1 0 292.741 2.868 20 70 CFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](Cc1ccccc1)C1CC1)CC2 ZINC000160320990 527198940 /nfs/dbraw/zinc/19/89/40/527198940.db2.gz PEOHRQBMPNMTSC-SJORKVTESA-N 1 0 296.418 2.512 20 70 CFIDRO CC(C)([NH3+])CNC(=O)CCc1ccc(-c2ccccc2)o1 ZINC000160087095 527245845 /nfs/dbraw/zinc/24/58/45/527245845.db2.gz BAJABIZGXMRKJX-UHFFFAOYSA-N 1 0 286.375 2.733 20 70 CFIDRO CC1CCN(CC[NH2+]Cc2cc(F)cc(F)c2)CC1 ZINC000160090434 528247190 /nfs/dbraw/zinc/24/71/90/528247190.db2.gz XFQXLRRRGPFADM-UHFFFAOYSA-N 1 0 268.351 2.786 20 70 CFIDRO CCOCCC[N@@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000159587114 528659007 /nfs/dbraw/zinc/65/90/07/528659007.db2.gz NDVCZSWBHYEXDH-HNNXBMFYSA-N 1 0 267.369 2.687 20 70 CFIDRO CCc1oc(C(=O)NCC2([NH3+])CCCCC2)cc1C ZINC000159551082 232244591 /nfs/dbraw/zinc/24/45/91/232244591.db2.gz OYXQYSYMYQPNQV-UHFFFAOYSA-N 1 0 264.369 2.542 20 70 CFIDRO C[C@H](CC(N)=O)[NH2+][C@H]1CCCC[C@@H]1C1CCCCC1 ZINC000161360008 232251845 /nfs/dbraw/zinc/25/18/45/232251845.db2.gz WQDLJQLKVGXKAF-YUELXQCFSA-N 1 0 266.429 2.979 20 70 CFIDRO CC(C)[NH2+]CCC(=O)N[C@H]1CCC[C@@H]1c1ccccc1 ZINC000159718023 348013954 /nfs/dbraw/zinc/01/39/54/348013954.db2.gz PDCSQWHNDWLGFK-CVEARBPZSA-N 1 0 274.408 2.827 20 70 CFIDRO CCc1ccc([C@H](C)CC(=O)NC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000160134017 348016033 /nfs/dbraw/zinc/01/60/33/348016033.db2.gz KPOKJBCSPOHBPX-PBHICJAKSA-N 1 0 288.435 2.953 20 70 CFIDRO CC(C)[NH2+]CCC(=O)Nc1ccc2nn(C(C)C)cc2c1 ZINC000160068772 348016163 /nfs/dbraw/zinc/01/61/63/348016163.db2.gz CQWKJIFEIMRSNG-UHFFFAOYSA-N 1 0 288.395 2.944 20 70 CFIDRO C[C@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000160816916 348021327 /nfs/dbraw/zinc/02/13/27/348021327.db2.gz KJBSOBCDEMEOOS-GJZGRUSLSA-N 1 0 293.455 2.835 20 70 CFIDRO C[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000160816563 348021563 /nfs/dbraw/zinc/02/15/63/348021563.db2.gz KJBSOBCDEMEOOS-HUUCEWRRSA-N 1 0 293.455 2.835 20 70 CFIDRO CC(C)[NH2+]CCC(=O)N[C@@H](Cc1ccccc1)C1CC1 ZINC000161258932 348024133 /nfs/dbraw/zinc/02/41/33/348024133.db2.gz GLOHKJMPFNJLMQ-INIZCTEOSA-N 1 0 274.408 2.512 20 70 CFIDRO Cc1cc(C)cc([C@@H](C)[NH2+]CCCN2CCCC2=O)c1 ZINC000159464668 188427755 /nfs/dbraw/zinc/42/77/55/188427755.db2.gz JCVFKVFXJFHTNC-OAHLLOKOSA-N 1 0 274.408 2.967 20 70 CFIDRO COCc1ccc(C[NH2+][C@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000159591381 188432590 /nfs/dbraw/zinc/43/25/90/188432590.db2.gz ZFYJWONRNCFNHY-IKGGRYGDSA-N 1 0 287.403 2.880 20 70 CFIDRO CCOc1ccc([C@@H](C)[NH2+]CCCN2CCCC2=O)cc1 ZINC000159578016 188432808 /nfs/dbraw/zinc/43/28/08/188432808.db2.gz KGBQWWCGUZVEQG-CQSZACIVSA-N 1 0 290.407 2.748 20 70 CFIDRO Cc1ccc([C@H](C)CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000159657395 188435413 /nfs/dbraw/zinc/43/54/13/188435413.db2.gz RMFCKQAYUQMTAD-BMFZPTHFSA-N 1 0 274.408 2.732 20 70 CFIDRO Cc1ccccc1[C@H](NC(=O)[C@@H]1CCC[NH2+]C1)C(C)C ZINC000159689974 188437693 /nfs/dbraw/zinc/43/76/93/188437693.db2.gz JXDMYDOHMFEQBZ-GDBMZVCRSA-N 1 0 274.408 2.808 20 70 CFIDRO [NH3+]C[C@H]1CCCN1C(=O)CCCCCc1cccs1 ZINC000160179416 188458885 /nfs/dbraw/zinc/45/88/85/188458885.db2.gz HYLWNYVAJFRGFD-CYBMUJFWSA-N 1 0 280.437 2.801 20 70 CFIDRO CC(C)N(C(=O)C[C@H](C)C1CC[NH2+]CC1)C1CCC1 ZINC000160561844 188479969 /nfs/dbraw/zinc/47/99/69/188479969.db2.gz BTFSWYSNSKPUSL-ZDUSSCGKSA-N 1 0 266.429 2.802 20 70 CFIDRO C[NH2+][C@@H]1CCN(C(=O)c2sccc2-c2ccccc2)C1 ZINC000160651810 188485362 /nfs/dbraw/zinc/48/53/62/188485362.db2.gz ZLHHCYWOIDERDD-CYBMUJFWSA-N 1 0 286.400 2.849 20 70 CFIDRO CC[NH2+]CC1CCN(C(=O)CSCCC(C)C)CC1 ZINC000161105157 188508908 /nfs/dbraw/zinc/50/89/08/188508908.db2.gz YKYLIASOKCFYIW-UHFFFAOYSA-N 1 0 286.485 2.614 20 70 CFIDRO Cc1cc(F)c(C(=O)NCC2([NH3+])CCCCC2)cc1F ZINC000159480792 540649750 /nfs/dbraw/zinc/64/97/50/540649750.db2.gz HMUXLSCHCRXRSF-UHFFFAOYSA-N 1 0 282.334 2.665 20 70 CFIDRO Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000159881173 540663614 /nfs/dbraw/zinc/66/36/14/540663614.db2.gz VEUFTBSOTSCNEU-DIECFANBSA-N 1 0 286.419 2.827 20 70 CFIDRO CCCn1nccc1C[NH2+]Cc1ccc(OC)c(OC)c1 ZINC000159976441 540666149 /nfs/dbraw/zinc/66/61/49/540666149.db2.gz NBPANAUJEVBSPP-UHFFFAOYSA-N 1 0 289.379 2.600 20 70 CFIDRO CCCn1nccc1C[NH2+]CCc1cccc(C)c1 ZINC000160132499 540669177 /nfs/dbraw/zinc/66/91/77/540669177.db2.gz GYFSMYSIVKHPRQ-UHFFFAOYSA-N 1 0 257.381 2.934 20 70 CFIDRO COc1cc(NC(=O)C[C@@H](C[NH3+])CC(C)C)ccc1F ZINC000160324089 540671525 /nfs/dbraw/zinc/67/15/25/540671525.db2.gz XHIMNRVINZDFLA-NSHDSACASA-N 1 0 282.359 2.784 20 70 CFIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CCc2cc(Cl)cs2)C1 ZINC000160804453 540680488 /nfs/dbraw/zinc/68/04/88/540680488.db2.gz MEBSYIGZVFIWCA-GHMZBOCLSA-N 1 0 286.828 2.720 20 70 CFIDRO CC(C)[NH2+]CCC(=O)N(Cc1ccc(F)cc1)CC1CC1 ZINC000160910057 540683409 /nfs/dbraw/zinc/68/34/09/540683409.db2.gz GABNPDROOBQRAS-UHFFFAOYSA-N 1 0 292.398 2.952 20 70 CFIDRO CC[C@H](CC1CCCC1)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161036441 540687485 /nfs/dbraw/zinc/68/74/85/540687485.db2.gz PCYXRCCGDWSGPZ-ILXRZTDVSA-N 1 0 266.429 2.979 20 70 CFIDRO O=C(NC[C@@H]1CCC[NH2+]C1)c1cc2ccc(F)cc2s1 ZINC000161198464 540690455 /nfs/dbraw/zinc/69/04/55/540690455.db2.gz LPEHPUSLGNBXSO-SNVBAGLBSA-N 1 0 292.379 2.770 20 70 CFIDRO [NH3+][C@H]1CCC[C@H](NC(=O)Cc2ccc3ccccc3c2)C1 ZINC000161129261 540689344 /nfs/dbraw/zinc/68/93/44/540689344.db2.gz BLUWUJLYKSFTQZ-IRXDYDNUSA-N 1 0 282.387 2.768 20 70 CFIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CSc2ccccc2Cl)C1 ZINC000161373707 540692261 /nfs/dbraw/zinc/69/22/61/540692261.db2.gz XDALUXLJXKVPKX-GHMZBOCLSA-N 1 0 298.839 2.818 20 70 CFIDRO Cc1ccc2cccc(C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)c2n1 ZINC000161408894 540692955 /nfs/dbraw/zinc/69/29/55/540692955.db2.gz XSDRWSABHOGIKE-UONOGXRCSA-N 1 0 283.375 2.543 20 70 CFIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)C1 ZINC000161305982 540691765 /nfs/dbraw/zinc/69/17/65/540691765.db2.gz SBVKWDQHDNOUDF-IRCOFANPSA-N 1 0 292.345 2.741 20 70 CFIDRO C[C@H]([NH2+][C@H]1CCN(C(=O)C2CCCC2)C1)c1ccccn1 ZINC000159386608 540991722 /nfs/dbraw/zinc/99/17/22/540991722.db2.gz IJHOBHKXTZMPJI-ZFWWWQNUSA-N 1 0 287.407 2.523 20 70 CFIDRO Cc1cccc([C@@H](NC(=O)[C@H](C)[NH+](C)C)c2ccccn2)c1 ZINC000159799430 541012273 /nfs/dbraw/zinc/01/22/73/541012273.db2.gz PTYKDYNDCCEQBK-WMLDXEAASA-N 1 0 297.402 2.546 20 70 CFIDRO CCN(CC)C(=O)[C@H]([NH2+]C1CC=CC1)c1ccccc1 ZINC000160892868 541491771 /nfs/dbraw/zinc/49/17/71/541491771.db2.gz YGUKUVOKNVSOAP-MRXNPFEDSA-N 1 0 272.392 2.904 20 70 CFIDRO COC[C@H]([NH2+]C[C@@H](C)N1CCc2sccc2C1)C(C)C ZINC000159872355 378736027 /nfs/dbraw/zinc/73/60/27/378736027.db2.gz KMEQBAUXIDTFGK-HIFRSBDPSA-N 1 0 296.480 2.755 20 70 CFIDRO CC(C)([NH3+])CNC(=O)C(C)(C)Cc1cccc(Cl)c1 ZINC000159973856 378740493 /nfs/dbraw/zinc/74/04/93/378740493.db2.gz HTLSPIOVPKLCLD-UHFFFAOYSA-N 1 0 282.815 2.762 20 70 CFIDRO CCSCc1ccc(C(=O)N2CCC[C@H]2C[NH3+])cc1 ZINC000160233630 378757624 /nfs/dbraw/zinc/75/76/24/378757624.db2.gz UBKSFOHBFILSGN-AWEZNQCLSA-N 1 0 278.421 2.503 20 70 CFIDRO Cc1ccc(NC(=O)[C@@H]2CCCC[NH2+]2)cc1OC(F)F ZINC000160091190 378748455 /nfs/dbraw/zinc/74/84/55/378748455.db2.gz TYSKIMCPPPTNRH-NSHDSACASA-N 1 0 284.306 2.677 20 70 CFIDRO CN(Cc1cc(-c2ccccc2)no1)[C@@H](C[NH3+])C1CC1 ZINC000160158461 378751737 /nfs/dbraw/zinc/75/17/37/378751737.db2.gz JMVSHUVAZGAEOV-INIZCTEOSA-N 1 0 271.364 2.511 20 70 CFIDRO CC1(C)C[C@@H]([NH2+]Cc2cn3ccccc3n2)C(C)(C)O1 ZINC000159434856 378708937 /nfs/dbraw/zinc/70/89/37/378708937.db2.gz FKTJRHFCZIPWCR-CYBMUJFWSA-N 1 0 273.380 2.770 20 70 CFIDRO [NH3+]C1(CNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)CCCCC1 ZINC000159466982 378710383 /nfs/dbraw/zinc/71/03/83/378710383.db2.gz IQTVMLBTJJKHDK-LSDHHAIUSA-N 1 0 290.382 2.707 20 70 CFIDRO Cc1ccc([C@H](C)[NH2+]CCCN2CCCC2=O)cc1C ZINC000159508861 378713857 /nfs/dbraw/zinc/71/38/57/378713857.db2.gz FRXREIIAQULBCS-HNNXBMFYSA-N 1 0 274.408 2.967 20 70 CFIDRO CCc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)o1 ZINC000159595687 378718962 /nfs/dbraw/zinc/71/89/62/378718962.db2.gz XXPZYUMOZCROQU-ZNMIVQPWSA-N 1 0 261.365 2.889 20 70 CFIDRO C[C@H](NC(=O)[C@@H]1CCCC[NH2+]1)c1ccc(F)cc1Cl ZINC000159627653 378721953 /nfs/dbraw/zinc/72/19/53/378721953.db2.gz NMPKIBMDSWIUBV-ZANVPECISA-N 1 0 284.762 2.798 20 70 CFIDRO Cc1ccc([C@@H](C)CNC(=O)CC2CC[NH2+]CC2)cc1 ZINC000159658937 378723511 /nfs/dbraw/zinc/72/35/11/378723511.db2.gz OGLFHTYVGVNETA-AWEZNQCLSA-N 1 0 274.408 2.604 20 70 CFIDRO C[N@@H+](Cc1cccc(OC(F)F)c1)C[C@H]1CCC[C@@H]1O ZINC000159715320 378726265 /nfs/dbraw/zinc/72/62/65/378726265.db2.gz MNCLHRDRWPNHBC-OCCSQVGLSA-N 1 0 285.334 2.881 20 70 CFIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](C)c2ccc(C)cc2)CC1 ZINC000159707158 378726470 /nfs/dbraw/zinc/72/64/70/378726470.db2.gz RBWBVTCWQKTFDY-OAHLLOKOSA-N 1 0 289.423 2.793 20 70 CFIDRO Cc1ccc(C[C@H]2CCC[N@@H+]2CCn2ccnc2)cc1 ZINC000159826562 378732322 /nfs/dbraw/zinc/73/23/22/378732322.db2.gz MQPPJDMRSNXIBQ-QGZVFWFLSA-N 1 0 269.392 2.899 20 70 CFIDRO COc1cccc(CCC[N@H+](C)C[C@@H]2CCCO2)c1 ZINC000160272153 378761089 /nfs/dbraw/zinc/76/10/89/378761089.db2.gz YANGLESFMQSWGU-INIZCTEOSA-N 1 0 263.381 2.739 20 70 CFIDRO [NH3+][C@@H]1CCN(C(=O)CC(c2ccccc2)c2ccccc2)C1 ZINC000160295321 378762144 /nfs/dbraw/zinc/76/21/44/378762144.db2.gz SXFOHOSMYIANGQ-QGZVFWFLSA-N 1 0 294.398 2.768 20 70 CFIDRO CCc1ccc([C@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)cc1 ZINC000160332302 378763783 /nfs/dbraw/zinc/76/37/83/378763783.db2.gz ZIPOWMFLYRODMU-BLLLJJGKSA-N 1 0 284.407 2.815 20 70 CFIDRO COc1cc(NC(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)ccc1F ZINC000160332893 378763941 /nfs/dbraw/zinc/76/39/41/378763941.db2.gz DVEOVNWBKMQILH-NWDGAFQWSA-N 1 0 294.370 2.799 20 70 CFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(Cl)s1)CC2 ZINC000160370265 378766123 /nfs/dbraw/zinc/76/61/23/378766123.db2.gz OVDMBGOAHFAPIK-WCBMZHEXSA-N 1 0 296.827 2.967 20 70 CFIDRO CCn1nccc1CN(C)Cc1ccccc1OC ZINC000160419044 378770340 /nfs/dbraw/zinc/77/03/40/378770340.db2.gz KCZWOIFWHPRRAG-UHFFFAOYSA-N 1 0 259.353 2.544 20 70 CFIDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)NCC(F)(F)F)cc1C ZINC000160557834 378780532 /nfs/dbraw/zinc/78/05/32/378780532.db2.gz GROSXGPCVGQTEZ-LLVKDONJSA-N 1 0 288.313 2.633 20 70 CFIDRO CCc1ccc([C@@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)s1 ZINC000160559600 378782927 /nfs/dbraw/zinc/78/29/27/378782927.db2.gz XGBVGMAGNYDWBC-PWSUYJOCSA-N 1 0 290.436 2.876 20 70 CFIDRO Cc1ccc2ncc(C[NH2+][C@@H]3CCOC(C)(C)C3)n2c1 ZINC000160616014 378785455 /nfs/dbraw/zinc/78/54/55/378785455.db2.gz RDEFYQSESXSAMG-CYBMUJFWSA-N 1 0 273.380 2.690 20 70 CFIDRO C[C@H](O)C(C)(C)[NH2+]Cc1cc(Br)cs1 ZINC000160618615 378786470 /nfs/dbraw/zinc/78/64/70/378786470.db2.gz SKSWLNLKNMONCN-ZETCQYMHSA-N 1 0 278.215 2.760 20 70 CFIDRO CC[C@H]([NH2+]CCCNC(C)=O)c1ccc(F)cc1F ZINC000160718429 378793586 /nfs/dbraw/zinc/79/35/86/378793586.db2.gz OOKNRRXKNHZTPV-AWEZNQCLSA-N 1 0 270.323 2.532 20 70 CFIDRO CC[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccc(F)cc1 ZINC000160786954 378797850 /nfs/dbraw/zinc/79/78/50/378797850.db2.gz RXQDHBRNRVUCBN-LLVKDONJSA-N 1 0 292.276 2.545 20 70 CFIDRO CC[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1ccc(F)cc1F ZINC000161201297 378829755 /nfs/dbraw/zinc/82/97/55/378829755.db2.gz NEAPDGIMRFDDCU-RISCZKNCSA-N 1 0 282.334 2.626 20 70 CFIDRO Cc1cc(C[NH+]2CCC(C)(O)CC2)c2ccccc2n1 ZINC000161198264 378830011 /nfs/dbraw/zinc/83/00/11/378830011.db2.gz JOQBRIKJSPKQTF-UHFFFAOYSA-N 1 0 270.376 2.890 20 70 CFIDRO CC[C@@H](NC(=O)[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1F ZINC000161209482 378830734 /nfs/dbraw/zinc/83/07/34/378830734.db2.gz XAOXASBLRAAMDW-QMTHXVAHSA-N 1 0 282.334 2.532 20 70 CFIDRO CC[C@H](NC(=O)[C@@H]([NH3+])C(C)C)c1ccc(F)cc1F ZINC000161210069 378831280 /nfs/dbraw/zinc/83/12/80/378831280.db2.gz BGFKKJSQVLRMIO-STQMWFEESA-N 1 0 270.323 2.515 20 70 CFIDRO CCCc1cc(C(=O)N2CCC[C@H]2C[NH2+]C)sc1C ZINC000161249893 378833849 /nfs/dbraw/zinc/83/38/49/378833849.db2.gz HAVFTKNYVARESB-ZDUSSCGKSA-N 1 0 280.437 2.833 20 70 CFIDRO CCCC1(CNC(=O)C(CC)(CC)C[NH3+])CCC1 ZINC000161259433 378834284 /nfs/dbraw/zinc/83/42/84/378834284.db2.gz JOZNFOWNLDVXPE-UHFFFAOYSA-N 1 0 254.418 2.838 20 70 CFIDRO CCc1ccc(C(C)(C)CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000160867462 378805219 /nfs/dbraw/zinc/80/52/19/378805219.db2.gz GZOPLOCZLXXZPH-ZBFHGGJFSA-N 1 0 288.435 2.770 20 70 CFIDRO C[C@@H]1C[C@H](Nc2cnccn2)C[N@@H+]1Cc1ccccc1 ZINC000160930469 378809289 /nfs/dbraw/zinc/80/92/89/378809289.db2.gz MSQYLGMPNVDXRE-HIFRSBDPSA-N 1 0 268.364 2.552 20 70 CFIDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccccc1CS(C)(=O)=O ZINC000160929158 378809546 /nfs/dbraw/zinc/80/95/46/378809546.db2.gz KKKZPGDBPQWLEA-QWHCGFSZSA-N 1 0 283.437 2.755 20 70 CFIDRO C[C@H]([NH2+]Cc1cc(F)cc(Cl)c1)C(=O)NC(C)(C)C ZINC000160980459 378813768 /nfs/dbraw/zinc/81/37/68/378813768.db2.gz JWLVQMZJLYQGTR-VIFPVBQESA-N 1 0 286.778 2.872 20 70 CFIDRO Cc1cc(NC(=O)CSCC[NH+](C(C)C)C(C)C)on1 ZINC000161070846 378819298 /nfs/dbraw/zinc/81/92/98/378819298.db2.gz IDKNKYPVRLLPPN-UHFFFAOYSA-N 1 0 299.440 2.774 20 70 CFIDRO C[C@@H](NC(=O)[C@H]1CCC[NH2+]C1)c1ccc(F)cc1Cl ZINC000161152726 378826599 /nfs/dbraw/zinc/82/65/99/378826599.db2.gz HWBOWIXSEYYDKB-ZJUUUORDSA-N 1 0 284.762 2.656 20 70 CFIDRO Cc1ccc([C@@H](C)CNC(=O)C2([NH3+])CCCCC2)cc1 ZINC000161170873 378827175 /nfs/dbraw/zinc/82/71/75/378827175.db2.gz YRHMZXRREYUIKV-AWEZNQCLSA-N 1 0 274.408 2.876 20 70 CFIDRO CC(C)C[N@@H+]1CCC[C@@H](CNc2ccc3nccnc3n2)C1 ZINC000161314532 378839956 /nfs/dbraw/zinc/83/99/56/378839956.db2.gz FKOBTVQKXLHSSF-AWEZNQCLSA-N 1 0 299.422 2.805 20 70 CFIDRO C[NH2+]CC(=O)N1CCCC[C@@H]1c1cccc(C)c1C ZINC000161337476 378841200 /nfs/dbraw/zinc/84/12/00/378841200.db2.gz XJOOPLMPIQLNLI-OAHLLOKOSA-N 1 0 260.381 2.576 20 70 CFIDRO COC(C[N@@H+]1CC[C@H](C)C[C@H]1c1ccc(C)o1)OC ZINC000161337848 378841247 /nfs/dbraw/zinc/84/12/47/378841247.db2.gz GXQZQALMUJUHOS-AAEUAGOBSA-N 1 0 267.369 2.980 20 70 CFIDRO COC(C[N@@H+]1CC[C@H](C)C[C@@H]1c1ccc(C)o1)OC ZINC000161337977 378841501 /nfs/dbraw/zinc/84/15/01/378841501.db2.gz GXQZQALMUJUHOS-WCQYABFASA-N 1 0 267.369 2.980 20 70 CFIDRO CC(C)Sc1ccccc1NC(=O)CCC[NH3+] ZINC000161398762 378844400 /nfs/dbraw/zinc/84/44/00/378844400.db2.gz RACDOHNABOFKEK-UHFFFAOYSA-N 1 0 252.383 2.865 20 70 CFIDRO COc1ccc(Cl)cc1[C@H](CC(C)C)NC(=O)[C@@H](C)[NH3+] ZINC000161415708 378845791 /nfs/dbraw/zinc/84/57/91/378845791.db2.gz NYBZDQCZHCIBOV-MFKMUULPSA-N 1 0 298.814 2.899 20 70 CFIDRO C[C@@H](c1ccccn1)N(C)CCC[NH+]1CCCCC1 ZINC000161460793 378850004 /nfs/dbraw/zinc/85/00/04/378850004.db2.gz ZUWJFMJWAXTVNU-HNNXBMFYSA-N 1 0 261.413 2.950 20 70 CFIDRO CC[NH+](CC)[C@H](C)CNC(=O)c1cnc(C(C)C)s1 ZINC000161509906 378852377 /nfs/dbraw/zinc/85/23/77/378852377.db2.gz INHJSIXBYLUAFE-LLVKDONJSA-N 1 0 283.441 2.727 20 70 CFIDRO C[C@@H](C[NH2+][C@@H](C)c1cnn(C)c1)COCc1ccccc1 ZINC000161299307 378837370 /nfs/dbraw/zinc/83/73/70/378837370.db2.gz FZBSKHREYHZCCD-GJZGRUSLSA-N 1 0 287.407 2.924 20 70 CFIDRO CCc1ccc(/C=C/C(=O)N(CC[NH+](C)C)C(C)C)o1 ZINC000161320418 378838745 /nfs/dbraw/zinc/83/87/45/378838745.db2.gz NGKALSDNYQPDOA-MDZDMXLPSA-N 1 0 278.396 2.654 20 70 CFIDRO COc1ccc(CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c(OC)c1 ZINC000217440437 382786891 /nfs/dbraw/zinc/78/68/91/382786891.db2.gz PURYOPZTMZKRHJ-WOSRLPQWSA-N 1 0 292.423 2.522 20 70 CFIDRO CSC[C@](C)(O)C[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000217859527 382787902 /nfs/dbraw/zinc/78/79/02/382787902.db2.gz YRYUYHUKTMLOCK-MRXNPFEDSA-N 1 0 295.448 2.604 20 70 CFIDRO C[C@@H](Cn1ccnc1)[NH2+]Cc1cccc2cc[nH]c21 ZINC000218105344 382789443 /nfs/dbraw/zinc/78/94/43/382789443.db2.gz LHBRYAKETVRRNU-LBPRGKRZSA-N 1 0 254.337 2.543 20 70 CFIDRO COCC[C@@H](C)[NH2+][C@H]1CCCN(C2CCCCC2)C1 ZINC000160101605 285132483 /nfs/dbraw/zinc/13/24/83/285132483.db2.gz KACDWDMZWHZWBD-CABCVRRESA-N 1 0 268.445 2.798 20 70 CFIDRO C[C@H](CC(N)=O)[NH2+]CC(c1ccccc1)c1ccccc1 ZINC000218579898 130768984 /nfs/dbraw/zinc/76/89/84/130768984.db2.gz PEKJXDFLFOFXSN-CQSZACIVSA-N 1 0 282.387 2.672 20 70 CFIDRO COC(=O)c1occc1C[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000217795905 393757764 /nfs/dbraw/zinc/75/77/64/393757764.db2.gz XIVDECVQWQOJJQ-NTZNESFSSA-N 1 0 265.353 2.981 20 70 CFIDRO CC[C@H](C)C[N@H+](CC)[C@@H](C)C(=O)Nc1cc(C)no1 ZINC000160515088 394366419 /nfs/dbraw/zinc/36/64/19/394366419.db2.gz UDZMCBHXLWCWFC-JQWIXIFHSA-N 1 0 267.373 2.678 20 70 CFIDRO CC(C)S(=O)(=O)CCC[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000160968143 394366854 /nfs/dbraw/zinc/36/68/54/394366854.db2.gz IIZULWJSHRIUFP-OAHLLOKOSA-N 1 0 287.469 2.854 20 70 CFIDRO C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000161098068 394367141 /nfs/dbraw/zinc/36/71/41/394367141.db2.gz RHFUAWCNLNCULX-OZVIIMIRSA-N 1 0 290.382 2.565 20 70 CFIDRO CCCC[C@@H](COC)[NH2+]C[C@@H]1CCCCN1CC ZINC000161191336 394367194 /nfs/dbraw/zinc/36/71/94/394367194.db2.gz OQSMVPSYARJZIQ-GJZGRUSLSA-N 1 0 256.434 2.656 20 70 CFIDRO C[C@@H]1CCC[C@@](CNC(=O)[C@@H]2CC2(C)C)([NH+](C)C)C1 ZINC000160413171 287429255 /nfs/dbraw/zinc/42/92/55/287429255.db2.gz DQBQPMLKBNHNMU-DVOMOZLQSA-N 1 0 266.429 2.659 20 70 CFIDRO C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000161097687 274319962 /nfs/dbraw/zinc/31/99/62/274319962.db2.gz RHFUAWCNLNCULX-XHBSWPGZSA-N 1 0 290.382 2.565 20 70 CFIDRO CCC[C@H]([NH3+])C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000161396070 276042971 /nfs/dbraw/zinc/04/29/71/276042971.db2.gz AJZYBTMNDDODME-QWHCGFSZSA-N 1 0 276.380 2.532 20 70 CFIDRO CC(=O)Nc1ccc(C[NH2+][C@@H]2CCOC(C)(C)C2)cc1 ZINC000160571572 277075717 /nfs/dbraw/zinc/07/57/17/277075717.db2.gz WGUJFBWYTJTVKN-OAHLLOKOSA-N 1 0 276.380 2.692 20 70 CFIDRO C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(C[NH3+])cc1 ZINC000159878813 279009590 /nfs/dbraw/zinc/00/95/90/279009590.db2.gz AYNKDUWENGMRDU-WQVCFCJDSA-N 1 0 272.392 2.939 20 70 CFIDRO Cc1nc2c(s1)[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1O)CCC2 ZINC000160594187 282034851 /nfs/dbraw/zinc/03/48/51/282034851.db2.gz NONDUDGMDDCHAO-DYEKYZERSA-N 1 0 280.437 2.970 20 70 CFIDRO [NH3+]CC1(C(=O)N2CCC3(C2)CCCCC3)CCCC1 ZINC000161196137 295220177 /nfs/dbraw/zinc/22/01/77/295220177.db2.gz PPSZDASQPZZXQR-UHFFFAOYSA-N 1 0 264.413 2.688 20 70 CFIDRO CC1CCC(C[N@H+](C)C[C@@H](O)C(F)(F)F)CC1 ZINC000159558588 322323906 /nfs/dbraw/zinc/32/39/06/322323906.db2.gz VUNDZZOOQLXZHL-VQXHTEKXSA-N 1 0 253.308 2.668 20 70 CFIDRO CC[C@@H](OC1CCCCC1)C(=O)NC[C@H]1CCC[N@@H+]1CC ZINC000159578838 322324692 /nfs/dbraw/zinc/32/46/92/322324692.db2.gz MEZQOEXTHCUHFE-GDBMZVCRSA-N 1 0 296.455 2.715 20 70 CFIDRO C[N@@H+](Cc1cc(F)cc2cccnc21)C[C@H]1CCC[C@@H]1O ZINC000159842148 322329332 /nfs/dbraw/zinc/32/93/32/322329332.db2.gz YNTWOIABUVDHCC-CJNGLKHVSA-N 1 0 288.366 2.967 20 70 CFIDRO CC1CC[NH+](CCCNC(=O)N2CC[C@H](C)[C@@H](C)C2)CC1 ZINC000159943471 322330205 /nfs/dbraw/zinc/33/02/05/322330205.db2.gz KAWJWKHPHZKLOS-HOTGVXAUSA-N 1 0 295.471 2.796 20 70 CFIDRO CO[C@]1(C[NH2+]Cc2ccc(C(F)F)cc2)CCOC1 ZINC000160106739 322333152 /nfs/dbraw/zinc/33/31/52/322333152.db2.gz IUZQNGUMVQULGV-AWEZNQCLSA-N 1 0 271.307 2.519 20 70 CFIDRO CCSCC[C@H](C)[NH2+]C[C@H](O)COc1cccc(C)c1 ZINC000160139859 322333789 /nfs/dbraw/zinc/33/37/89/322333789.db2.gz QRBJPPJTHHBHJW-GJZGRUSLSA-N 1 0 297.464 2.856 20 70 CFIDRO CCC[N@H+](CC(=O)Nc1cc(C(C)(C)C)nn1C)C1CC1 ZINC000160568466 322339592 /nfs/dbraw/zinc/33/95/92/322339592.db2.gz XIDIPDNKAAWYAV-UHFFFAOYSA-N 1 0 292.427 2.531 20 70 CFIDRO Cn1cnnc1C[N@H+](CCc1ccccc1)C1CCCC1 ZINC000160872086 322344204 /nfs/dbraw/zinc/34/42/04/322344204.db2.gz BQWGDUZFZSEYLT-UHFFFAOYSA-N 1 0 284.407 2.802 20 70 CFIDRO CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H]1CCc2ccccc21 ZINC000160997575 322345748 /nfs/dbraw/zinc/34/57/48/322345748.db2.gz CKXYXWFNZGWDRB-GOEBONIOSA-N 1 0 288.435 2.953 20 70 CFIDRO C[C@@H]([NH2+]CCc1ccc2c(c1)OCO2)c1ccco1 ZINC000161145056 322348025 /nfs/dbraw/zinc/34/80/25/322348025.db2.gz JSKCJOVJVOOLFO-LLVKDONJSA-N 1 0 259.305 2.902 20 70 CFIDRO CC1(C)C[C@@H]([NH2+]CCc2ccc3c(c2)OCO3)C(C)(C)O1 ZINC000161146273 322348078 /nfs/dbraw/zinc/34/80/78/322348078.db2.gz DJCHAJZUVKAHAD-OAHLLOKOSA-N 1 0 291.391 2.894 20 70 CFIDRO COc1ccc([C@H](C)[NH2+][C@@H]2CCC(=O)N(C)C2)cc1Cl ZINC000161203933 322348732 /nfs/dbraw/zinc/34/87/32/322348732.db2.gz MQXWJWHRDCRHHY-CMPLNLGQSA-N 1 0 296.798 2.620 20 70 CFIDRO CCc1ccc([C@@H](C)[NH2+]CCCCS(C)(=O)=O)cc1 ZINC000161197615 322348921 /nfs/dbraw/zinc/34/89/21/322348921.db2.gz KEFFXOQRXDACIV-CYBMUJFWSA-N 1 0 283.437 2.724 20 70 CFIDRO CCC(CC)(C[NH3+])C(=O)NCCCc1cccc(F)c1 ZINC000161218731 322349378 /nfs/dbraw/zinc/34/93/78/322349378.db2.gz ZKWJJKURQWRXKY-UHFFFAOYSA-N 1 0 280.387 2.640 20 70 CFIDRO C[NH+](C)Cc1cc(CNC(=O)NC2(C)CCC2)ccc1F ZINC000161295382 322349966 /nfs/dbraw/zinc/34/99/66/322349966.db2.gz BJIRTQJKFPIHIB-UHFFFAOYSA-N 1 0 293.386 2.629 20 70 CFIDRO CC[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)NC1CCCC1 ZINC000161414150 322351277 /nfs/dbraw/zinc/35/12/77/322351277.db2.gz MTOZYYUIPYRERR-UKRRQHHQSA-N 1 0 266.429 2.994 20 70 CFIDRO CC[C@H]1CCCC[C@@H]1[NH2+]CCC(=O)NC1CCCC1 ZINC000161414033 322351346 /nfs/dbraw/zinc/35/13/46/322351346.db2.gz MTOZYYUIPYRERR-ZFWWWQNUSA-N 1 0 266.429 2.994 20 70 CFIDRO C[C@@H]([NH2+]C1CCN(C)CC1)c1cc2c(s1)CCC2 ZINC000161481084 322352330 /nfs/dbraw/zinc/35/23/30/322352330.db2.gz PMVSVXGKFYYRDX-LLVKDONJSA-N 1 0 264.438 2.982 20 70 CFIDRO CC(C)[NH+](CCS[C@H]1CCCCNC1=O)C(C)C ZINC000161036981 519650813 /nfs/dbraw/zinc/65/08/13/519650813.db2.gz GFBWECPHZMVWID-ZDUSSCGKSA-N 1 0 272.458 2.507 20 70 CFIDRO COC[C@@H]([NH2+][C@H](CCCO)c1ccccc1)C1CC1 ZINC000160916676 522382132 /nfs/dbraw/zinc/38/21/32/522382132.db2.gz SBGSJQOSERMLAM-HZPDHXFCSA-N 1 0 263.381 2.515 20 70 CFIDRO CC(C)CO[C@@H]1C[C@@H]([NH2+]CC2(CO)CCCC2)C1(C)C ZINC000160106722 519760566 /nfs/dbraw/zinc/76/05/66/519760566.db2.gz CMVOORDXYHSJQC-HUUCEWRRSA-N 1 0 283.456 2.968 20 70 CFIDRO CC(C)[C@@H]([NH3+])C(=O)Nc1ccc2nn(C(C)C)cc2c1 ZINC000160069770 519796097 /nfs/dbraw/zinc/79/60/97/519796097.db2.gz DBVOIIUIFKQEIY-CQSZACIVSA-N 1 0 274.368 2.539 20 70 CFIDRO CCCCCCC(=O)N1CCC[N@H+](CCC)CC1 ZINC000160404965 519950169 /nfs/dbraw/zinc/95/01/69/519950169.db2.gz WIQNXFUMGGHODQ-UHFFFAOYSA-N 1 0 254.418 2.901 20 70 CFIDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cnn3ccccc23)C1(C)C ZINC000217871228 520374631 /nfs/dbraw/zinc/37/46/31/520374631.db2.gz GGKBAJIKXNLARV-HUUCEWRRSA-N 1 0 273.380 2.628 20 70 CFIDRO CCOc1ccccc1[C@@H](C)[NH2+][C@H](CCO)CSC ZINC000160366837 521572628 /nfs/dbraw/zinc/57/26/28/521572628.db2.gz FFVQXURSKBJFTF-CHWSQXEVSA-N 1 0 283.437 2.850 20 70 CFIDRO CCC(CC)c1cc(C(=O)NC[C@@H](C2CC2)[NH+](C)C)on1 ZINC000161152313 521630558 /nfs/dbraw/zinc/63/05/58/521630558.db2.gz WMKCCVDLWOSXSG-AWEZNQCLSA-N 1 0 293.411 2.648 20 70 CFIDRO CC[C@H](COC)[NH2+][C@H]1CCCN(C2CCCCC2)C1 ZINC000160106526 522265214 /nfs/dbraw/zinc/26/52/14/522265214.db2.gz KCPBCUICJRFMTK-CABCVRRESA-N 1 0 268.445 2.798 20 70 CFIDRO CC[C@@H](COC)[NH2+][C@@H]1CCCN(C2CCCCC2)C1 ZINC000160106123 522595054 /nfs/dbraw/zinc/59/50/54/522595054.db2.gz KCPBCUICJRFMTK-LSDHHAIUSA-N 1 0 268.445 2.798 20 70 CFIDRO COC[C@H]([NH2+]C[C@@H](C)COCc1ccccc1)C1CC1 ZINC000161316110 522738465 /nfs/dbraw/zinc/73/84/65/522738465.db2.gz UXMNLZOTNJQMQX-PBHICJAKSA-N 1 0 277.408 2.854 20 70 CFIDRO CC[C@H]([NH2+][C@H](CCO)c1ccccc1)[C@H]1CCOC1 ZINC000161067920 522744100 /nfs/dbraw/zinc/74/41/00/522744100.db2.gz VIOZBXJLDJHQIX-HRCADAONSA-N 1 0 263.381 2.515 20 70 CFIDRO CC[C@@H]([NH2+][C@@H](CCO)CSC)c1ccccc1OC ZINC000160375267 522919555 /nfs/dbraw/zinc/91/95/55/522919555.db2.gz JRBRVYYUXKVODF-GXTWGEPZSA-N 1 0 283.437 2.850 20 70 CFIDRO CC[C@@H]1CCCN(C(C)(C)C[NH2+][C@@H](C)[C@@H]2CCOC2)C1 ZINC000161014964 523249736 /nfs/dbraw/zinc/24/97/36/523249736.db2.gz MYBXBLJOMPCEBN-ARFHVFGLSA-N 1 0 282.472 2.902 20 70 CFIDRO CCn1cc([C@H](C)NC2CC[NH+](C3CCCC3)CC2)cn1 ZINC000160488030 523468911 /nfs/dbraw/zinc/46/89/11/523468911.db2.gz FPVYSLVNHKKHET-AWEZNQCLSA-N 1 0 290.455 2.961 20 70 CFIDRO CCn1nccc1C[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000159953225 523728520 /nfs/dbraw/zinc/72/85/20/523728520.db2.gz UBJHOFQYSDKRRR-UHFFFAOYSA-N 1 0 259.397 2.961 20 70 CFIDRO CN(C(=O)c1ccc2ccccc2c1)[C@H](C[NH3+])C1CC1 ZINC000159893119 523939969 /nfs/dbraw/zinc/93/99/69/523939969.db2.gz OIOKPNUSTREVML-MRXNPFEDSA-N 1 0 268.360 2.649 20 70 CFIDRO Cc1cccc(C(=O)N2CC[NH+](CC(C)C)CC2)c1F ZINC000161419239 524179410 /nfs/dbraw/zinc/17/94/10/524179410.db2.gz RGWMSDZHNVKVCD-UHFFFAOYSA-N 1 0 278.371 2.548 20 70 CFIDRO C[C@H](CN1CCCC1=O)[NH2+]Cc1coc2ccccc12 ZINC000161092981 524326019 /nfs/dbraw/zinc/32/60/19/524326019.db2.gz ZDGZRQZUNFQFES-GFCCVEGCSA-N 1 0 272.348 2.533 20 70 CFIDRO COc1ccccc1C(C)(C)[NH2+]CCOCC1CC1 ZINC000160550333 524365103 /nfs/dbraw/zinc/36/51/03/524365103.db2.gz RJHRQXCDGCGFAN-UHFFFAOYSA-N 1 0 263.381 2.947 20 70 CFIDRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cc(Cl)ccc1F ZINC000159635644 524390836 /nfs/dbraw/zinc/39/08/36/524390836.db2.gz OZAAAZNOKWOQSL-UWVGGRQHSA-N 1 0 284.762 2.565 20 70 CFIDRO C[C@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2)CC[C@@H]1O ZINC000159403922 524624926 /nfs/dbraw/zinc/62/49/26/524624926.db2.gz NBDPUOWZONHXKE-GWCFXTLKSA-N 1 0 273.298 2.908 20 70 CFIDRO Cc1ccc(C[C@H](C)N(C)C(=O)C[C@H]2CCC[NH2+]2)cc1 ZINC000159638617 524675216 /nfs/dbraw/zinc/67/52/16/524675216.db2.gz BXONIMKYCOMVED-GOEBONIOSA-N 1 0 274.408 2.527 20 70 CFIDRO C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)C[C@H]1CCC[NH2+]1 ZINC000159446182 524691751 /nfs/dbraw/zinc/69/17/51/524691751.db2.gz HPGXZKHFFMBUMQ-IUODEOHRSA-N 1 0 294.826 2.872 20 70 CFIDRO C[C@@H](C[NH2+][C@@H](C)C1CCOCC1)N(C)Cc1ccccc1 ZINC000160897510 524747827 /nfs/dbraw/zinc/74/78/27/524747827.db2.gz ZIXBUTVWHRCOLC-HOTGVXAUSA-N 1 0 290.451 2.912 20 70 CFIDRO C[C@H]1C[C@H](N(C)c2nc(C(C)(C)C)ns2)CC[N@@H+]1C ZINC000159624387 524903582 /nfs/dbraw/zinc/90/35/82/524903582.db2.gz MHUHMTQUFZENDL-WDEREUQCSA-N 1 0 282.457 2.755 20 70 CFIDRO C[C@H](NC(=O)[C@H]([NH3+])c1ccccc1)[C@@H](C)c1ccccc1 ZINC000160892453 525168989 /nfs/dbraw/zinc/16/89/89/525168989.db2.gz YVVLOEKUQAOTNH-JKIFEVAISA-N 1 0 282.387 2.995 20 70 CFIDRO COc1ccc([C@H](C)[NH2+][C@@H](CCO)CSC)cc1F ZINC000160218373 525329281 /nfs/dbraw/zinc/32/92/81/525329281.db2.gz LWYJXAHKJKWYOI-JQWIXIFHSA-N 1 0 287.400 2.599 20 70 CFIDRO COc1ccc([C@H](C)[C@@H](C)[NH2+][C@@H](CCO)CSC)cc1 ZINC000160306097 525340851 /nfs/dbraw/zinc/34/08/51/525340851.db2.gz YMEOILKLOHYRDS-NFAWXSAZSA-N 1 0 297.464 2.891 20 70 CFIDRO Cc1ccccc1[C@H](C)[NH2+]CC(=O)N(C)CC(F)(F)F ZINC000159679201 525415037 /nfs/dbraw/zinc/41/50/37/525415037.db2.gz STDZZSFGXSGXHG-NSHDSACASA-N 1 0 288.313 2.666 20 70 CFIDRO C[C@@H]([NH2+]CC1(CO)CCCC1)c1ccc2c(c1)OCCO2 ZINC000160080078 525422107 /nfs/dbraw/zinc/42/21/07/525422107.db2.gz DJJHUTTVVVDYKG-CYBMUJFWSA-N 1 0 291.391 2.661 20 70 CFIDRO C[C@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1cccnc1 ZINC000159794063 525475055 /nfs/dbraw/zinc/47/50/55/525475055.db2.gz FOYBZPXJAAPEDP-VIFPVBQESA-N 1 0 284.285 2.685 20 70 CFIDRO C[C@@H]([NH2+]C[C@@H]1CC(=O)Nc2ccccc21)C1CCOCC1 ZINC000160738852 525478438 /nfs/dbraw/zinc/47/84/38/525478438.db2.gz WFAZOKCPIQIOIA-OCCSQVGLSA-N 1 0 288.391 2.517 20 70 CFIDRO CSC[C@@H](CCO)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000160355907 525642853 /nfs/dbraw/zinc/64/28/53/525642853.db2.gz ZWYXWWXPYOJYKD-GXFFZTMASA-N 1 0 257.374 2.590 20 70 CFIDRO Cc1ccsc1[C@H]1C[C@@H]1C(=O)NCC(C)(C)C[NH+](C)C ZINC000159910017 525892994 /nfs/dbraw/zinc/89/29/94/525892994.db2.gz PCEKZHYZDCRDEM-STQMWFEESA-N 1 0 294.464 2.864 20 70 CFIDRO CSc1ccc(Cl)c(C(=O)N(C)[C@H](C[NH3+])C2CC2)c1 ZINC000159867419 526012295 /nfs/dbraw/zinc/01/22/95/526012295.db2.gz SUNFLRZCZJHNEH-CYBMUJFWSA-N 1 0 298.839 2.871 20 70 CFIDRO C[C@H](CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1cccc(F)c1 ZINC000160616109 526234833 /nfs/dbraw/zinc/23/48/33/526234833.db2.gz WOGCFBALXCWOSV-WQVCFCJDSA-N 1 0 290.382 2.672 20 70 CFIDRO Cc1csc(CCCC[NH2+][C@H](C)[C@H]2CCOC2)n1 ZINC000160651857 526340404 /nfs/dbraw/zinc/34/04/04/526340404.db2.gz RUZIJQAOQBLWFQ-OLZOCXBDSA-N 1 0 268.426 2.789 20 70 CFIDRO c1sc(C2CC2)nc1CN1CC[NH+](CC2CC2)CC1 ZINC000161436067 526631368 /nfs/dbraw/zinc/63/13/68/526631368.db2.gz HETKZKHNBUJCRT-UHFFFAOYSA-N 1 0 277.437 2.548 20 70 CFIDRO CC(=O)c1cnc(NC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])s1 ZINC000159507815 527421744 /nfs/dbraw/zinc/42/17/44/527421744.db2.gz GUCMLASRIRMCHI-GHMZBOCLSA-N 1 0 295.408 2.582 20 70 CFIDRO OCC1(C[NH2+]Cc2ccc(-n3ccnc3)cc2)CCCC1 ZINC000160099605 527523796 /nfs/dbraw/zinc/52/37/96/527523796.db2.gz JKJZBYRYODIBIR-UHFFFAOYSA-N 1 0 285.391 2.515 20 70 CFIDRO CC(C)[N@H+](CCCCCO)CCc1nccs1 ZINC000159831078 528879425 /nfs/dbraw/zinc/87/94/25/528879425.db2.gz CDIQSFAYQYMEJQ-UHFFFAOYSA-N 1 0 256.415 2.559 20 70 CFIDRO CCCCc1ccc([C@@H](C)[NH2+][C@H](C)CC(N)=O)cc1 ZINC000161359391 529028212 /nfs/dbraw/zinc/02/82/12/529028212.db2.gz JRHKFPYIDJDOMM-CHWSQXEVSA-N 1 0 262.397 2.944 20 70 CFIDRO CC[C@H]1CCC[C@@H](NC(=O)N2CCC[N@H+](CC)CC2)C1 ZINC000159894711 529222213 /nfs/dbraw/zinc/22/22/13/529222213.db2.gz WEJCGXJPTVUPAK-LSDHHAIUSA-N 1 0 281.444 2.692 20 70 CFIDRO CCCOc1ccc(C[NH2+]Cc2ccnn2CC)cc1 ZINC000160026662 545588151 /nfs/dbraw/zinc/58/81/51/545588151.db2.gz HUOAPKSVVVPULF-UHFFFAOYSA-N 1 0 273.380 2.982 20 70 CFIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](Cc1ccccc1)C1CC1)CC2 ZINC000160321125 282118194 /nfs/dbraw/zinc/11/81/94/282118194.db2.gz PEOHRQBMPNMTSC-IRXDYDNUSA-N 1 0 296.418 2.512 20 70 CFIDRO C[NH2+]CC(=O)N1CCC[C@H](C)[C@H]1c1ccc(C)cc1 ZINC000159780801 290638495 /nfs/dbraw/zinc/63/84/95/290638495.db2.gz HSQZOOOXOMQNBE-BBRMVZONSA-N 1 0 260.381 2.514 20 70 CFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)C[C@@H](C)Cc1cccc(F)c1 ZINC000161357472 529989170 /nfs/dbraw/zinc/98/91/70/529989170.db2.gz RZDWMMNSNAGIDA-BBRMVZONSA-N 1 0 292.398 2.605 20 70 CFIDRO Cc1ccc(C)c([C@H](C)N(C)C(=O)C[C@@H]2CCC[NH2+]2)c1 ZINC000159970352 232246998 /nfs/dbraw/zinc/24/69/98/232246998.db2.gz RTDKPMWLGXVSBI-GJZGRUSLSA-N 1 0 274.408 2.965 20 70 CFIDRO C[NH+](C)CC1CCC(NC(=O)Nc2ccsc2)CC1 ZINC000160927854 232250195 /nfs/dbraw/zinc/25/01/95/232250195.db2.gz CUNKBVZGOAXZBP-UHFFFAOYSA-N 1 0 281.425 2.990 20 70 CFIDRO Cc1cc(C)cc(OCCC[NH+]2CCC(C)(O)CC2)c1 ZINC000161199970 232251321 /nfs/dbraw/zinc/25/13/21/232251321.db2.gz WQNALKKAFRHIII-UHFFFAOYSA-N 1 0 277.408 2.919 20 70 CFIDRO C[C@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)c1ccsc1 ZINC000159401504 348012407 /nfs/dbraw/zinc/01/24/07/348012407.db2.gz TYXXHOMZEGNOSN-ZFWWWQNUSA-N 1 0 292.448 2.938 20 70 CFIDRO C[C@@H](CC(=O)N1CCCCCC1)[NH2+][C@@H]1CCCSC1 ZINC000159614000 348013427 /nfs/dbraw/zinc/01/34/27/348013427.db2.gz DRYCDWIPDWZRMZ-UONOGXRCSA-N 1 0 284.469 2.653 20 70 CFIDRO CC(C)[NH2+]CCC(=O)N[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000159717876 348013985 /nfs/dbraw/zinc/01/39/85/348013985.db2.gz PDCSQWHNDWLGFK-HZPDHXFCSA-N 1 0 274.408 2.827 20 70 CFIDRO CSCc1cc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)ccc1F ZINC000160806666 348021599 /nfs/dbraw/zinc/02/15/99/348021599.db2.gz ZGZMWLHIFPUFDO-OLZOCXBDSA-N 1 0 296.411 2.688 20 70 CFIDRO CCSCc1ccc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000160854499 348021665 /nfs/dbraw/zinc/02/16/65/348021665.db2.gz NNCGBVWHQGCAIO-HUUCEWRRSA-N 1 0 292.448 2.939 20 70 CFIDRO CCCN(CCc1cccc(F)c1)C(=O)CC[NH2+]C(C)C ZINC000160096562 539827287 /nfs/dbraw/zinc/82/72/87/539827287.db2.gz IVURLEPGFCTTKE-UHFFFAOYSA-N 1 0 294.414 2.995 20 70 CFIDRO CCCCSCCC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000159751572 282882925 /nfs/dbraw/zinc/88/29/25/282882925.db2.gz KSPJZCRIVFBPIO-CQSZACIVSA-N 1 0 286.485 2.900 20 70 CFIDRO COc1ccc([C@H](CCC(C)C)[NH2+]CCO)cc1 ZINC000159677796 188436233 /nfs/dbraw/zinc/43/62/33/188436233.db2.gz VUURSZBHQFPDEO-HNNXBMFYSA-N 1 0 251.370 2.754 20 70 CFIDRO [NH3+]C1(CNC(=O)c2ccc(Cl)s2)CCCCC1 ZINC000159735049 188439381 /nfs/dbraw/zinc/43/93/81/188439381.db2.gz XUCJLTADKRFNRP-UHFFFAOYSA-N 1 0 272.801 2.793 20 70 CFIDRO COCC[C@@H]([NH2+]C[C@](C)(O)c1ccsc1)C(C)C ZINC000159888310 188446875 /nfs/dbraw/zinc/44/68/75/188446875.db2.gz HRWMTQGSLANNIU-KGLIPLIRSA-N 1 0 271.426 2.606 20 70 CFIDRO CN(Cc1cc(-c2cccs2)on1)[C@@H](C[NH3+])C1CC1 ZINC000160111559 188456144 /nfs/dbraw/zinc/45/61/44/188456144.db2.gz XFWWBXLOLNEUMZ-LBPRGKRZSA-N 1 0 277.393 2.572 20 70 CFIDRO CCC([NH3+])(CC)CNC(=O)[C@@H](C)CC1CCCC1 ZINC000160462520 188474685 /nfs/dbraw/zinc/47/46/85/188474685.db2.gz ONUMBDCUOFWJIM-LBPRGKRZSA-N 1 0 254.418 2.837 20 70 CFIDRO CCC([NH3+])(CC)CNC(=O)COc1ccc(C(C)C)cc1 ZINC000160509223 188477761 /nfs/dbraw/zinc/47/77/61/188477761.db2.gz AOUXLJFYWZXUAT-UHFFFAOYSA-N 1 0 292.423 2.823 20 70 CFIDRO CCC([NH3+])(CC)CNC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1F ZINC000160503041 188477852 /nfs/dbraw/zinc/47/78/52/188477852.db2.gz FDBITHGEGZCQAD-OLZOCXBDSA-N 1 0 296.361 2.702 20 70 CFIDRO CC1(C)C[C@@H]([NH2+]Cc2cc3ccccc3[nH]c2=O)CCO1 ZINC000160635705 188484702 /nfs/dbraw/zinc/48/47/02/188484702.db2.gz SFBOENDZTRWYNY-AWEZNQCLSA-N 1 0 286.375 2.988 20 70 CFIDRO CCC(CC)(C[NH3+])C(=O)NCC(C)(C)c1cccc(F)c1 ZINC000161236736 188516770 /nfs/dbraw/zinc/51/67/70/188516770.db2.gz DRDAZQZTJJJDPO-UHFFFAOYSA-N 1 0 294.414 2.985 20 70 CFIDRO C[NH2+]C[C@@H](C)C(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000161334880 188522872 /nfs/dbraw/zinc/52/28/72/188522872.db2.gz QNZBSHLJDYVNHU-LLVKDONJSA-N 1 0 294.370 2.941 20 70 CFIDRO Cc1ccc(CC[NH2+]C2CCC3(CC2)OCCO3)cc1 ZINC000161502678 188531680 /nfs/dbraw/zinc/53/16/80/188531680.db2.gz HYUVEMWPEMWWDW-UHFFFAOYSA-N 1 0 275.392 2.813 20 70 CFIDRO C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000159799662 540663078 /nfs/dbraw/zinc/66/30/78/540663078.db2.gz BLMRXYJIVDZQKJ-CUBALJKWSA-N 1 0 290.382 2.658 20 70 CFIDRO [NH3+]C1(CNC(=O)C[C@@H]2CCc3ccccc32)CCCCC1 ZINC000159723061 540661924 /nfs/dbraw/zinc/66/19/24/540661924.db2.gz MGCFBMYUOCYLQF-HNNXBMFYSA-N 1 0 286.419 2.884 20 70 CFIDRO CCCn1nccc1C[NH2+]C[C@@H](c1cccs1)N(C)C ZINC000159987160 540666865 /nfs/dbraw/zinc/66/68/65/540666865.db2.gz KICGSUQXGOEJSE-AWEZNQCLSA-N 1 0 292.452 2.747 20 70 CFIDRO Fc1cc(Cl)ccc1C[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000160863962 540682081 /nfs/dbraw/zinc/68/20/81/540682081.db2.gz OHOSFVWULHOQGA-RTXFEEFZSA-N 1 0 255.720 2.889 20 70 CFIDRO CSc1ccc(C)c(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000160881756 540682531 /nfs/dbraw/zinc/68/25/31/540682531.db2.gz LYBZZCHLAQJZQW-VXGBXAGGSA-N 1 0 278.421 2.717 20 70 CFIDRO [NH3+]C1(CC(=O)Nc2ccc(F)cc2OC(F)F)CCC1 ZINC000161085397 540688259 /nfs/dbraw/zinc/68/82/59/540688259.db2.gz NEWVLQQFIBVUKE-UHFFFAOYSA-N 1 0 288.269 2.637 20 70 CFIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)Cc2ccc3ccccc3c2)C1 ZINC000161129517 540688522 /nfs/dbraw/zinc/68/85/22/540688522.db2.gz BLUWUJLYKSFTQZ-SJORKVTESA-N 1 0 282.387 2.768 20 70 CFIDRO CCC(CC)c1cc(CNC(=O)c2ccc(C[NH3+])o2)on1 ZINC000161110706 540688979 /nfs/dbraw/zinc/68/89/79/540688979.db2.gz QSLZEURCOQFICQ-UHFFFAOYSA-N 1 0 291.351 2.560 20 70 CFIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2csc3c2CCCC3)C1 ZINC000161166350 540689918 /nfs/dbraw/zinc/68/99/18/540689918.db2.gz FFLLTDWCUJTSKR-WDEREUQCSA-N 1 0 278.421 2.627 20 70 CFIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)CSc2ccccc2Cl)C1 ZINC000161373482 540692119 /nfs/dbraw/zinc/69/21/19/540692119.db2.gz XDALUXLJXKVPKX-WDEREUQCSA-N 1 0 298.839 2.818 20 70 CFIDRO CC(C)[N@H+](CCCc1cnn(C)c1)CCc1nccs1 ZINC000159748601 541011585 /nfs/dbraw/zinc/01/15/85/541011585.db2.gz LSJAHZCBZGGDCQ-UHFFFAOYSA-N 1 0 292.452 2.762 20 70 CFIDRO COc1cc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1F ZINC000160038729 541020715 /nfs/dbraw/zinc/02/07/15/541020715.db2.gz LOSCXLQPYVFLMR-CMPLNLGQSA-N 1 0 252.333 2.729 20 70 CFIDRO CC1(C)CCC(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000160144806 541021998 /nfs/dbraw/zinc/02/19/98/541021998.db2.gz QLOFLBOJCYMFMN-HNNXBMFYSA-N 1 0 278.440 2.803 20 70 CFIDRO C[C@H]1SCCN(CCC[NH+]2CCCCC2)[C@H]1C ZINC000161160455 291260330 /nfs/dbraw/zinc/26/03/30/291260330.db2.gz MUSPACNTITXQCK-UONOGXRCSA-N 1 0 256.459 2.688 20 70 CFIDRO COCC[N@H+](Cc1ccccc1)Cc1ccc(N(C)C)nc1 ZINC000160453565 541422596 /nfs/dbraw/zinc/42/25/96/541422596.db2.gz UQLNUQJPZHWDKE-UHFFFAOYSA-N 1 0 299.418 2.796 20 70 CFIDRO C[NH+](C)C1(CN[C@H]2CCCc3cccnc32)CCCC1 ZINC000160710456 541454949 /nfs/dbraw/zinc/45/49/49/541454949.db2.gz ONXGLVMJGZMOMV-HNNXBMFYSA-N 1 0 273.424 2.923 20 70 CFIDRO CCCC[C@H]([NH2+]C1CC=CC1)C(=O)Nc1cc(C)on1 ZINC000160893410 541492029 /nfs/dbraw/zinc/49/20/29/541492029.db2.gz YZPZQUCNXQIDOW-ZDUSSCGKSA-N 1 0 277.368 2.789 20 70 CFIDRO Cc1ccc(NC(=O)NC2CCC(C[NH+](C)C)CC2)cn1 ZINC000161165246 541546663 /nfs/dbraw/zinc/54/66/63/541546663.db2.gz LOKMFHWXCYGZEC-UHFFFAOYSA-N 1 0 290.411 2.632 20 70 CFIDRO CCCCC[N@H+](CCCCS(C)(=O)=O)C(C)C ZINC000161404207 541626558 /nfs/dbraw/zinc/62/65/58/541626558.db2.gz WXMKRWCTMQGBJO-UHFFFAOYSA-N 1 0 263.447 2.712 20 70 CFIDRO CC[C@@H]([NH2+]C[C@H](C)N1CCc2ccccc21)c1cnn(C)c1 ZINC000159903486 378737765 /nfs/dbraw/zinc/73/77/65/378737765.db2.gz RDDKSSAIUYDYJA-WMLDXEAASA-N 1 0 298.434 2.912 20 70 CFIDRO O=C(NCC[C@H]1CCC[NH2+]C1)C1C2CC3CC(C2)CC1C3 ZINC000160118509 378750385 /nfs/dbraw/zinc/75/03/85/378750385.db2.gz HSJFCXHJFQIRNJ-XXXXFFMBSA-N 1 0 290.451 2.565 20 70 CFIDRO CCOc1cccc(C[NH2+][C@@H](C)CC(=O)N(CC)CC)c1 ZINC000159408872 378706395 /nfs/dbraw/zinc/70/63/95/378706395.db2.gz GJJAEBHFMUXCER-AWEZNQCLSA-N 1 0 292.423 2.822 20 70 CFIDRO CCc1ccc(/C=C/C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)o1 ZINC000159439765 378708771 /nfs/dbraw/zinc/70/87/71/378708771.db2.gz QVJKCKZKGHSZBP-MYSGNRETSA-N 1 0 288.391 2.552 20 70 CFIDRO C[C@H]([NH2+]CCCN1CCCC1=O)C(C)(C)c1ccccc1 ZINC000159474737 378712280 /nfs/dbraw/zinc/71/22/80/378712280.db2.gz RUYQBEPMKOXJIO-HNNXBMFYSA-N 1 0 288.435 2.955 20 70 CFIDRO COc1ccc(C)cc1[C@H](C)[NH2+]CCCN1CCCC1=O ZINC000159513147 378714291 /nfs/dbraw/zinc/71/42/91/378714291.db2.gz KBZFQXHNLINLCE-AWEZNQCLSA-N 1 0 290.407 2.667 20 70 CFIDRO C[C@H]([NH2+]CCCN1CCCC1=O)c1cc(F)cc(F)c1 ZINC000159532006 378714896 /nfs/dbraw/zinc/71/48/96/378714896.db2.gz WUEUWKGFLNRWQB-NSHDSACASA-N 1 0 282.334 2.628 20 70 CFIDRO C[C@@H](C(=O)NCC1([NH3+])CCCCC1)c1cccs1 ZINC000159547689 378715384 /nfs/dbraw/zinc/71/53/84/378715384.db2.gz JQEFFQJLJOJZQV-LLVKDONJSA-N 1 0 266.410 2.629 20 70 CFIDRO Cc1ccc([C@H](C)[NH2+]CCCN2CCCC2=O)c(C)c1 ZINC000159546079 378715677 /nfs/dbraw/zinc/71/56/77/378715677.db2.gz QUOJKWYZWKGRDP-HNNXBMFYSA-N 1 0 274.408 2.967 20 70 CFIDRO Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)O ZINC000159558906 378717525 /nfs/dbraw/zinc/71/75/25/378717525.db2.gz QPRYSSYHEOPGMT-ZIAGYGMSSA-N 1 0 292.423 2.758 20 70 CFIDRO Cc1n[nH]c(C)c1C[NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000159589283 378719186 /nfs/dbraw/zinc/71/91/86/378719186.db2.gz LZWMNITWLGYTJZ-FVINQWEUSA-N 1 0 291.420 2.615 20 70 CFIDRO Cc1ccc([C@H](C)CNC(=O)CC2CC[NH2+]CC2)cc1 ZINC000159659073 378722792 /nfs/dbraw/zinc/72/27/92/378722792.db2.gz OGLFHTYVGVNETA-CQSZACIVSA-N 1 0 274.408 2.604 20 70 CFIDRO CCCC[C@@H](CC)CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159679329 378724843 /nfs/dbraw/zinc/72/48/43/378724843.db2.gz ARNHCOBIXCALSM-KFWWJZLASA-N 1 0 266.429 2.946 20 70 CFIDRO CC[C@H](NC(=O)[C@@H]([NH3+])CC(C)C)c1ccc(F)cc1F ZINC000159725519 378727530 /nfs/dbraw/zinc/72/75/30/378727530.db2.gz MHNYCZODKZJVOI-KBPBESRZSA-N 1 0 284.350 2.906 20 70 CFIDRO CC(C)[C@H](C(=O)N[C@@H]1CCCc2sccc21)[NH+](C)C ZINC000160265045 378761059 /nfs/dbraw/zinc/76/10/59/378761059.db2.gz LEVGHOCHFRXUQY-TZMCWYRMSA-N 1 0 280.437 2.828 20 70 CFIDRO COC(=O)[C@@H]1CCC[N@H+](CCCc2cccc(OC)c2)C1 ZINC000160345259 378765419 /nfs/dbraw/zinc/76/54/19/378765419.db2.gz CBCNBRNELHSSIJ-OAHLLOKOSA-N 1 0 291.391 2.513 20 70 CFIDRO COc1cc(NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1F ZINC000160339487 378765554 /nfs/dbraw/zinc/76/55/54/378765554.db2.gz MFVLRGSMOLYNIM-YOGCLGLASA-N 1 0 292.354 2.694 20 70 CFIDRO CCc1ncnc(N2CCC[C@@H]2C[NH+]2CCCCC2)c1F ZINC000160458518 378773980 /nfs/dbraw/zinc/77/39/80/378773980.db2.gz LTLGABITVKUJDR-CYBMUJFWSA-N 1 0 292.402 2.633 20 70 CFIDRO CCC([NH3+])(CC)CNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000160465529 378774674 /nfs/dbraw/zinc/77/46/74/378774674.db2.gz RRGDYULBRSQRFW-GHMZBOCLSA-N 1 0 296.361 2.702 20 70 CFIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCCc3sccc31)CC2 ZINC000160493224 378775487 /nfs/dbraw/zinc/77/54/87/378775487.db2.gz PUEWRNHZNFWYFO-WCQYABFASA-N 1 0 288.420 2.630 20 70 CFIDRO CS[C@@H](C)CC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000160480945 378775511 /nfs/dbraw/zinc/77/55/11/378775511.db2.gz PMHJEEWGWXVNHL-SMDDNHRTSA-N 1 0 298.427 2.686 20 70 CFIDRO C[NH2+][C@@H]1CCN(C(=O)CCCCc2ccc(C)cc2)C1 ZINC000160528152 378778402 /nfs/dbraw/zinc/77/84/02/378778402.db2.gz VWAJFRWOXUYYLY-MRXNPFEDSA-N 1 0 274.408 2.528 20 70 CFIDRO CCN(Cc1cc(C)c(C)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000160530828 378779551 /nfs/dbraw/zinc/77/95/51/378779551.db2.gz UXVIWXIWJOZSMU-MRXNPFEDSA-N 1 0 295.448 2.621 20 70 CFIDRO CCCN(CC[NH+](CC)CC)C(=O)Nc1ccncc1 ZINC000160543658 378780855 /nfs/dbraw/zinc/78/08/55/378780855.db2.gz GMPCKYSRGAMBTG-UHFFFAOYSA-N 1 0 278.400 2.667 20 70 CFIDRO CC(C)N(C(=O)C[C@@H](C)C1CC[NH2+]CC1)C1CCC1 ZINC000160561694 378782351 /nfs/dbraw/zinc/78/23/51/378782351.db2.gz BTFSWYSNSKPUSL-CYBMUJFWSA-N 1 0 266.429 2.802 20 70 CFIDRO CCc1nnc(C[NH2+][C@H](C)[C@H](C)c2ccccc2)[nH]1 ZINC000160563697 378782468 /nfs/dbraw/zinc/78/24/68/378782468.db2.gz BICDJGAHAHBNRZ-NWDGAFQWSA-N 1 0 258.369 2.649 20 70 CFIDRO C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CC(C)(C)O ZINC000160592250 378784535 /nfs/dbraw/zinc/78/45/35/378784535.db2.gz SXPPBVZYOYCXSP-QMTHXVAHSA-N 1 0 251.345 2.810 20 70 CFIDRO Cc1nccn1-c1ccc([C@H](C)[NH2+]CC(C)(C)O)cc1 ZINC000160621903 378785530 /nfs/dbraw/zinc/78/55/30/378785530.db2.gz YFSYMZXKGZDVJS-LBPRGKRZSA-N 1 0 273.380 2.602 20 70 CFIDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N1CCCCCC1 ZINC000160791181 378798178 /nfs/dbraw/zinc/79/81/78/378798178.db2.gz RNSAYQFAAVDZJD-CQSZACIVSA-N 1 0 279.428 2.589 20 70 CFIDRO CC[C@H](NC(=O)C1CC[NH2+]CC1)c1ccc(F)cc1F ZINC000161207861 378830873 /nfs/dbraw/zinc/83/08/73/378830873.db2.gz YKEFPHHZMPRSEQ-AWEZNQCLSA-N 1 0 282.334 2.532 20 70 CFIDRO CC(=O)NC1CCC([NH2+]CCSc2ccccc2)CC1 ZINC000161230866 378832741 /nfs/dbraw/zinc/83/27/41/378832741.db2.gz KQIGHXLFYNRIIF-UHFFFAOYSA-N 1 0 292.448 2.816 20 70 CFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)CSc1ccccc1Cl ZINC000161267005 378834016 /nfs/dbraw/zinc/83/40/16/378834016.db2.gz BJHKPAQLQPHUHN-NSHDSACASA-N 1 0 298.839 2.643 20 70 CFIDRO C[C@@H]([NH2+]C[C@H](C)N(C)Cc1ccccc1)c1cnn(C)c1 ZINC000160866450 378805141 /nfs/dbraw/zinc/80/51/41/378805141.db2.gz WMGHNYFKUHKADC-LSDHHAIUSA-N 1 0 286.423 2.591 20 70 CFIDRO C[C@@H](C(=O)N1CCC[NH2+]CC1)c1ccc2ccccc2c1 ZINC000160871400 378806297 /nfs/dbraw/zinc/80/62/97/378806297.db2.gz OYOFMBMZIZKFIE-CQSZACIVSA-N 1 0 282.387 2.765 20 70 CFIDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccccc1CS(C)(=O)=O ZINC000160929047 378809733 /nfs/dbraw/zinc/80/97/33/378809733.db2.gz KKKZPGDBPQWLEA-CHWSQXEVSA-N 1 0 283.437 2.755 20 70 CFIDRO CC(C)NC(=O)C[NH2+][C@@H]1CCCOc2ccc(Cl)cc21 ZINC000160913082 378809939 /nfs/dbraw/zinc/80/99/39/378809939.db2.gz WTOQEXRAKCUQDK-CYBMUJFWSA-N 1 0 296.798 2.668 20 70 CFIDRO C[C@@H](CCc1ccco1)[NH2+][C@H]1CCCc2[nH]c(=O)ccc21 ZINC000160963538 378811091 /nfs/dbraw/zinc/81/10/91/378811091.db2.gz UFYSXOKPKQGUDR-WFASDCNBSA-N 1 0 286.375 2.956 20 70 CFIDRO c1cc2c(s1)CCC[C@@H]2[NH2+]Cc1cnc2cnccn12 ZINC000160952383 378812054 /nfs/dbraw/zinc/81/20/54/378812054.db2.gz ZTJYXVBCXJDMGH-ZDUSSCGKSA-N 1 0 284.388 2.958 20 70 CFIDRO C[C@H](NC(=O)CC[NH3+])c1cccc(Cl)c1Cl ZINC000160985738 378813473 /nfs/dbraw/zinc/81/34/73/378813473.db2.gz ABVDQSIXQRGBRO-ZETCQYMHSA-N 1 0 261.152 2.519 20 70 CFIDRO CC[N@H+](CC(OC)OC)[C@@H](C)Cc1ccc(OC)cc1 ZINC000161035184 378816925 /nfs/dbraw/zinc/81/69/25/378816925.db2.gz FFNJMJZOIIGFRQ-ZDUSSCGKSA-N 1 0 281.396 2.567 20 70 CFIDRO C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)[C@H]1CCC[NH2+]C1 ZINC000161052968 378818690 /nfs/dbraw/zinc/81/86/90/378818690.db2.gz UKBGTONPXNRLFG-JSGCOSHPSA-N 1 0 294.826 2.729 20 70 CFIDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H](C)CC(C)C)c1 ZINC000161437768 378847625 /nfs/dbraw/zinc/84/76/25/378847625.db2.gz UGVMJGPDWCEEQR-OLZOCXBDSA-N 1 0 298.452 2.680 20 70 CFIDRO C[C@@H](Cc1ccc(O)cc1)[NH2+]C1CCC2(CC1)OCCO2 ZINC000161460333 378849947 /nfs/dbraw/zinc/84/99/47/378849947.db2.gz PYAZCVSQNZLEKS-ZDUSSCGKSA-N 1 0 291.391 2.599 20 70 CFIDRO Cc1ncc([C@H](C)[NH2+]C[C@@H](CO)c2ccccc2)c(C)n1 ZINC000161469654 378850016 /nfs/dbraw/zinc/85/00/16/378850016.db2.gz KVGFVHFLAOLTLI-LRDDRELGSA-N 1 0 285.391 2.520 20 70 CFIDRO Cc1ccc(NC(=O)[C@@H](C)[NH3+])cc1OCCC(C)C ZINC000161509689 378852640 /nfs/dbraw/zinc/85/26/40/378852640.db2.gz RIXGGRONWOANJS-GFCCVEGCSA-N 1 0 264.369 2.706 20 70 CFIDRO CSC[C@H](CCO)[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000160146461 295623036 /nfs/dbraw/zinc/62/30/36/295623036.db2.gz VEISNCRRWRKHRZ-BPHCLYMKSA-N 1 0 269.454 2.515 20 70 CFIDRO c1cnc(C[NH2+]CC2C3CC4CC(C3)CC2C4)cn1 ZINC000216834209 382784782 /nfs/dbraw/zinc/78/47/82/382784782.db2.gz PQYBCACXDPXOKW-UHFFFAOYSA-N 1 0 257.381 2.639 20 70 CFIDRO C[C@@H]([NH2+]CC12CC3CC(CC(C3)C1)C2)c1nncn1C ZINC000216824539 382784829 /nfs/dbraw/zinc/78/48/29/382784829.db2.gz BMDXFFPPHPSLQO-UWJCENJNSA-N 1 0 274.412 2.682 20 70 CFIDRO CCN(C)C(=O)C[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000217350763 382785692 /nfs/dbraw/zinc/78/56/92/382785692.db2.gz CTEUMWFGVSAGJI-HNNXBMFYSA-N 1 0 285.391 2.613 20 70 CFIDRO CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1ccc(C(C)=O)cc1 ZINC000217402272 382786577 /nfs/dbraw/zinc/78/65/77/382786577.db2.gz YZYKWBLKPOCNTG-GFCCVEGCSA-N 1 0 291.395 2.741 20 70 CFIDRO CSC[C@@](C)(O)C[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000217859406 382787857 /nfs/dbraw/zinc/78/78/57/382787857.db2.gz YRYUYHUKTMLOCK-INIZCTEOSA-N 1 0 295.448 2.604 20 70 CFIDRO COc1cc(N[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc(OC)c1 ZINC000217913423 382788379 /nfs/dbraw/zinc/78/83/79/382788379.db2.gz OLXQGLJKTVSAPQ-HWWQOWPSSA-N 1 0 278.396 2.844 20 70 CFIDRO CCC[N@H+](CC)CCNc1ccc(C(F)(F)F)nn1 ZINC000218054784 382788898 /nfs/dbraw/zinc/78/88/98/382788898.db2.gz OYSAWZRGCOEQMN-UHFFFAOYSA-N 1 0 276.306 2.639 20 70 CFIDRO [NH3+]Cc1ccc(NC(=O)N2CCc3sccc3C2)cc1 ZINC000218054507 382789027 /nfs/dbraw/zinc/78/90/27/382789027.db2.gz KROOTXIZAFFLEM-UHFFFAOYSA-N 1 0 287.388 2.797 20 70 CFIDRO C[C@@H](Cn1cccn1)[NH2+]Cc1cccc2cc[nH]c21 ZINC000218102583 382789291 /nfs/dbraw/zinc/78/92/91/382789291.db2.gz QZQOMBWDUISCRO-LBPRGKRZSA-N 1 0 254.337 2.543 20 70 CFIDRO C[C@H](N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc2c(c1)CCO2 ZINC000218131407 382789452 /nfs/dbraw/zinc/78/94/52/382789452.db2.gz SEBNJRSDKGYVBE-XKQJLSEDSA-N 1 0 286.419 2.899 20 70 CFIDRO COC[C@H](O)C[N@H+](C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000217155705 393756666 /nfs/dbraw/zinc/75/66/66/393756666.db2.gz CKUVHRVFIMCMEC-GXFFZTMASA-N 1 0 291.313 2.706 20 70 CFIDRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC1CCCCCC1 ZINC000159672732 394365815 /nfs/dbraw/zinc/36/58/15/394365815.db2.gz GJJNSMZEOLWBMY-TZMCWYRMSA-N 1 0 252.402 2.543 20 70 CFIDRO CO[C@@]1(C)C[C@H]([NH2+]Cc2ccccc2NC(C)=O)C1(C)C ZINC000160512012 394366402 /nfs/dbraw/zinc/36/64/02/394366402.db2.gz CODOOPPEMDYLKN-RDJZCZTQSA-N 1 0 290.407 2.938 20 70 CFIDRO CC1(C)CC[C@H]([NH2+]CCNC(=O)C2CC2)c2ccccc21 ZINC000160694678 394366786 /nfs/dbraw/zinc/36/67/86/394366786.db2.gz UCCOAGGOXVNMJG-INIZCTEOSA-N 1 0 286.419 2.915 20 70 CFIDRO CC[C@H](C)[N@H+](C)CCNc1ccc(C(F)(F)F)nn1 ZINC000218002679 397620845 /nfs/dbraw/zinc/62/08/45/397620845.db2.gz OPAJEGSQJYKCAB-VIFPVBQESA-N 1 0 276.306 2.638 20 70 CFIDRO O=C([C@@H]1CCC[NH2+]C1)N1CCCC2(CCCCC2)C1 ZINC000159858971 304332358 /nfs/dbraw/zinc/33/23/58/304332358.db2.gz ZHBSGVYTHJUJHA-CQSZACIVSA-N 1 0 264.413 2.559 20 70 CFIDRO CCO[C@@H]1C[C@@H](NC(=O)C(CC)(CC)C[NH3+])C12CCCC2 ZINC000161235349 286252844 /nfs/dbraw/zinc/25/28/44/286252844.db2.gz CPOPBVSPAWYIAW-ZIAGYGMSSA-N 1 0 296.455 2.606 20 70 CFIDRO C[C@@H]1CCC[C@@H](C(=O)NCC2([NH3+])CCCCC2)C1 ZINC000159654568 287372114 /nfs/dbraw/zinc/37/21/14/287372114.db2.gz MYOMAXNKNHGKHH-CHWSQXEVSA-N 1 0 252.402 2.591 20 70 CFIDRO CC(C)NC(=O)C[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000160972662 275654406 /nfs/dbraw/zinc/65/44/06/275654406.db2.gz XHKLWIYFVJXLEK-CQSZACIVSA-N 1 0 288.391 2.547 20 70 CFIDRO COCC[C@@H](C)[NH2+]C1CCN([C@@H](C)c2ccncc2)CC1 ZINC000159902963 277543858 /nfs/dbraw/zinc/54/38/58/277543858.db2.gz OSJISHVFXFYKFC-CABCVRRESA-N 1 0 291.439 2.622 20 70 CFIDRO CSC[C@@H](CCO)[NH2+][C@H]1CCc2ccc(C)cc21 ZINC000160327046 278134492 /nfs/dbraw/zinc/13/44/92/278134492.db2.gz JUOHWARRDXAZJX-HIFRSBDPSA-N 1 0 265.422 2.686 20 70 CFIDRO CS[C@@H]1CCC[C@H]([NH2+]C2CCC(NC(C)=O)CC2)C1 ZINC000161503172 278145180 /nfs/dbraw/zinc/14/51/80/278145180.db2.gz AJNOYXOQSFZMPP-PFSRBDOWSA-N 1 0 284.469 2.698 20 70 CFIDRO C[C@H]([NH3+])C(=O)NCC1(Sc2ccccc2)CCCC1 ZINC000159673929 278223906 /nfs/dbraw/zinc/22/39/06/278223906.db2.gz LREXMWCVLWZTFG-LBPRGKRZSA-N 1 0 278.421 2.555 20 70 CFIDRO CC1CCN(C(=O)N2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000160382210 278532937 /nfs/dbraw/zinc/53/29/37/278532937.db2.gz RQNALZPHUAOZOQ-UHFFFAOYSA-N 1 0 293.455 2.789 20 70 CFIDRO CCO[C@@H]1C[C@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)C12CCCCC2 ZINC000161179132 279857267 /nfs/dbraw/zinc/85/72/67/279857267.db2.gz YXSFAJOTXUTJJU-BFHYXJOUSA-N 1 0 296.455 2.604 20 70 CFIDRO CC1(C)C[C@H]([NH2+]C2CCN(CC(F)(F)F)CC2)CCO1 ZINC000159973844 281356350 /nfs/dbraw/zinc/35/63/50/281356350.db2.gz BKSGHXVQHXZJKY-GFCCVEGCSA-N 1 0 294.361 2.560 20 70 CFIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)C(C)(C)c1ccccc1)CC2 ZINC000160321914 302681857 /nfs/dbraw/zinc/68/18/57/302681857.db2.gz KESIIMOMAVDQKX-CJNGLKHVSA-N 1 0 298.434 2.857 20 70 CFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](CC(C)C)c1ccccn1)CC2 ZINC000160323955 302683933 /nfs/dbraw/zinc/68/39/33/302683933.db2.gz YWJSOMDVLDJQSG-GDBMZVCRSA-N 1 0 299.422 2.673 20 70 CFIDRO CCC[C@H]([NH2+][C@@H]1CCN(C(=O)CC)C1)c1ccccn1 ZINC000159384854 322322180 /nfs/dbraw/zinc/32/21/80/322322180.db2.gz LWUQCZVCZLYPCA-HIFRSBDPSA-N 1 0 275.396 2.523 20 70 CFIDRO Cc1ccccc1OCCC[N@@H+](C)C[C@H]1CCC[C@@H]1O ZINC000159585561 322324529 /nfs/dbraw/zinc/32/45/29/322324529.db2.gz OXOSORXMTQLYBS-CVEARBPZSA-N 1 0 277.408 2.857 20 70 CFIDRO CCOC[C@H](O)C[NH2+][C@@H](C)c1ccc(SCC)cc1 ZINC000159637689 322325898 /nfs/dbraw/zinc/32/58/98/322325898.db2.gz SWQAGQCJSGUYFA-GXTWGEPZSA-N 1 0 283.437 2.847 20 70 CFIDRO COC(=O)c1ccc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)o1 ZINC000159646746 322325934 /nfs/dbraw/zinc/32/59/34/322325934.db2.gz NCDRXZFIRSAMSD-AAEUAGOBSA-N 1 0 263.337 2.831 20 70 CFIDRO CC(C)CSCCC[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159671486 322326210 /nfs/dbraw/zinc/32/62/10/322326210.db2.gz DXYFYSUJUQBAQJ-KBPBESRZSA-N 1 0 259.459 2.859 20 70 CFIDRO CC(C)(C)CC[NH2+][C@H](CC(N)=O)C1CCCCC1 ZINC000159752981 322327259 /nfs/dbraw/zinc/32/72/59/322327259.db2.gz QFCVGZYAGZFHKA-CYBMUJFWSA-N 1 0 254.418 2.837 20 70 CFIDRO CC[N@H+](CCNC(=O)C1CCC(C)(C)CC1)C1CC1 ZINC000159785052 322327976 /nfs/dbraw/zinc/32/79/76/322327976.db2.gz ZJDZHKMMKQSCGM-UHFFFAOYSA-N 1 0 266.429 2.803 20 70 CFIDRO CC[C@H]([NH2+]C[C@@H](C)N1CCc2ccccc21)[C@H]1CCOC1 ZINC000159932286 322330379 /nfs/dbraw/zinc/33/03/79/322330379.db2.gz JQARSRYYFURQFO-PVAVHDDUSA-N 1 0 288.435 2.842 20 70 CFIDRO CCCC[N@H+](C)CCNC(=O)[C@@H](C)c1cccs1 ZINC000159951853 322331029 /nfs/dbraw/zinc/33/10/29/322331029.db2.gz RKLKJHJASSEUCL-LBPRGKRZSA-N 1 0 268.426 2.700 20 70 CFIDRO CCCn1c(C)nnc1CN(C)[C@@H]1C[C@@](C)(OC)C1(C)C ZINC000160108618 322333085 /nfs/dbraw/zinc/33/30/85/322333085.db2.gz VVNQLPFVFPMWJP-CZUORRHYSA-N 1 0 294.443 2.632 20 70 CFIDRO C[C@H](Cc1cccc(Cl)c1)C(=O)NC1CC[NH+](C)CC1 ZINC000160245272 322335020 /nfs/dbraw/zinc/33/50/20/322335020.db2.gz YUEHCEXSBQVPBN-GFCCVEGCSA-N 1 0 294.826 2.729 20 70 CFIDRO C[NH+]1CCC(NC(=O)C[C@@H]2CCCC(C)(C)C2)CC1 ZINC000160243886 322335385 /nfs/dbraw/zinc/33/53/85/322335385.db2.gz BDZCMGIEYCOBHP-ZDUSSCGKSA-N 1 0 266.429 2.803 20 70 CFIDRO C[C@H](Cc1ccc(Cl)cc1)C(=O)NC1CC[NH+](C)CC1 ZINC000160245001 322335414 /nfs/dbraw/zinc/33/54/14/322335414.db2.gz KRWHLSLYYQAAQH-GFCCVEGCSA-N 1 0 294.826 2.729 20 70 CFIDRO CC[C@H](C[NH2+][C@H](COC)C1CC1)Oc1ccccc1F ZINC000160342569 322336857 /nfs/dbraw/zinc/33/68/57/322336857.db2.gz ZCGSHYWUJKXKFZ-UKRRQHHQSA-N 1 0 281.371 2.998 20 70 CFIDRO Cc1cccc(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC000160428870 322338078 /nfs/dbraw/zinc/33/80/78/322338078.db2.gz VNRAFHUGVUVRBI-MRXNPFEDSA-N 1 0 274.408 2.845 20 70 CFIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(F)c1 ZINC000160541070 322339551 /nfs/dbraw/zinc/33/95/51/322339551.db2.gz MKFHFYVIENWRID-OAHLLOKOSA-N 1 0 278.371 2.676 20 70 CFIDRO CCCN(CC[NH+](CC)CC)C(=O)NC1CCCC1 ZINC000160539876 322339691 /nfs/dbraw/zinc/33/96/91/322339691.db2.gz XYLXWVGRYHEBFK-UHFFFAOYSA-N 1 0 269.433 2.692 20 70 CFIDRO Cc1ccc(F)cc1C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000160595776 322340149 /nfs/dbraw/zinc/34/01/49/322340149.db2.gz SMOQYJGRQYPUKM-OAHLLOKOSA-N 1 0 292.398 2.984 20 70 CFIDRO CCCC1(CNC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CCC1 ZINC000160710214 322341735 /nfs/dbraw/zinc/34/17/35/322341735.db2.gz HUGJADKMJYBDPE-CQSZACIVSA-N 1 0 293.455 2.740 20 70 CFIDRO CS[C@H](C)CC(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000160777672 322342971 /nfs/dbraw/zinc/34/29/71/322342971.db2.gz UZHWYGPDGNDEKL-UMVBOHGHSA-N 1 0 286.485 2.755 20 70 CFIDRO Cc1ccnc(-c2ccc(NC(=O)CC[NH2+]C(C)C)cc2)n1 ZINC000160878049 322344292 /nfs/dbraw/zinc/34/42/92/322344292.db2.gz ZPDGKSJTPQPNMU-UHFFFAOYSA-N 1 0 298.390 2.779 20 70 CFIDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCC2(C3CC3)CCC2)C1 ZINC000160908126 322344564 /nfs/dbraw/zinc/34/45/64/322344564.db2.gz HBPINHLWWJLLAF-CABCVRRESA-N 1 0 293.455 2.739 20 70 CFIDRO CC[C@@H]1CCCN(C(C)(C)C[NH2+][C@@H](C)COC)C1 ZINC000161024815 322345982 /nfs/dbraw/zinc/34/59/82/322345982.db2.gz SGFPJSQDVXETPB-UONOGXRCSA-N 1 0 256.434 2.512 20 70 CFIDRO C[C@H]([NH2+]CCc1ccc2c(c1)OCO2)c1cncs1 ZINC000161123334 322347473 /nfs/dbraw/zinc/34/74/73/322347473.db2.gz GTGMTPCFFZKMTK-JTQLQIEISA-N 1 0 276.361 2.765 20 70 CFIDRO COC[C@@H](C)[NH2+][C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000161135960 322347951 /nfs/dbraw/zinc/34/79/51/322347951.db2.gz RWMDDEUDHRIZKR-OLZOCXBDSA-N 1 0 298.377 2.554 20 70 CFIDRO COC[C@@H](C)[NH2+][C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000161135713 322347966 /nfs/dbraw/zinc/34/79/66/322347966.db2.gz RWMDDEUDHRIZKR-CHWSQXEVSA-N 1 0 298.377 2.554 20 70 CFIDRO CC(C)[C@@H]([NH2+]CCc1ccc2c(c1)OCO2)C1CC1 ZINC000161149852 322347999 /nfs/dbraw/zinc/34/79/99/322347999.db2.gz MDGZATWEMXQKNY-MRXNPFEDSA-N 1 0 261.365 2.982 20 70 CFIDRO CCCCC[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161198042 322348531 /nfs/dbraw/zinc/34/85/31/322348531.db2.gz RFPMZRSDKCWERQ-LLVKDONJSA-N 1 0 253.308 2.812 20 70 CFIDRO CCC[N@H+](CCO)Cc1ccc(OC(C)C)c(OC)c1 ZINC000161199352 322348655 /nfs/dbraw/zinc/34/86/55/322348655.db2.gz PBQGKPDMOYUFOP-UHFFFAOYSA-N 1 0 281.396 2.687 20 70 CFIDRO CC[C@@H](Cc1ccccc1)NC(=O)C(CC)(CC)C[NH3+] ZINC000161206611 322348873 /nfs/dbraw/zinc/34/88/73/322348873.db2.gz QWDJPIXKJZCPOJ-HNNXBMFYSA-N 1 0 276.424 2.889 20 70 CFIDRO C[C@@H](c1ccncc1)N(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000161489324 322352345 /nfs/dbraw/zinc/35/23/45/322352345.db2.gz UWBYGHBJCOMFFS-AWEZNQCLSA-N 1 0 297.402 2.976 20 70 CFIDRO CCc1cccc(CC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000161499447 322353001 /nfs/dbraw/zinc/35/30/01/322353001.db2.gz QDRIIGKQRVAXJS-DLBZAZTESA-N 1 0 288.435 2.781 20 70 CFIDRO CCCC[N@H+](CCOC)Cc1cnc2ccccn12 ZINC000160322608 520536811 /nfs/dbraw/zinc/53/68/11/520536811.db2.gz AMGBQNUXUMIWER-UHFFFAOYSA-N 1 0 261.369 2.583 20 70 CFIDRO CC(C)(C)c1nsc(N2CC[C@@H](C[NH+]3CCCC3)C2)n1 ZINC000159588818 519140888 /nfs/dbraw/zinc/14/08/88/519140888.db2.gz NLOGZUYUGYBDCE-LBPRGKRZSA-N 1 0 294.468 2.758 20 70 CFIDRO CC(C)(C)c1nsc(N2CC[C@H](C[NH+]3CCCC3)C2)n1 ZINC000159588671 519141338 /nfs/dbraw/zinc/14/13/38/519141338.db2.gz NLOGZUYUGYBDCE-GFCCVEGCSA-N 1 0 294.468 2.758 20 70 CFIDRO CC(C)CCSCC(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159836999 519677541 /nfs/dbraw/zinc/67/75/41/519677541.db2.gz KCAAUPSKZHICJD-UHFFFAOYSA-N 1 0 298.496 2.756 20 70 CFIDRO CCOCCC[NH2+]C(C)(C)c1ccccc1OC ZINC000160552622 519896178 /nfs/dbraw/zinc/89/61/78/519896178.db2.gz QBNHHBXQJPYVIH-UHFFFAOYSA-N 1 0 251.370 2.947 20 70 CFIDRO CC(C)n1cc([C@H](C)[NH2+]C[C@H]2CCCC[C@@H]2O)cn1 ZINC000160621985 519979200 /nfs/dbraw/zinc/97/92/00/519979200.db2.gz WLCGBAWUJVQHCL-GUTXKFCHSA-N 1 0 265.401 2.666 20 70 CFIDRO CCC(CC)c1cc(C(=O)NC[C@H]2CC[N@H+](CC)C2)on1 ZINC000161317819 521630828 /nfs/dbraw/zinc/63/08/28/521630828.db2.gz REUIOAFLRUYHOH-GFCCVEGCSA-N 1 0 293.411 2.650 20 70 CFIDRO CC[C@H](C)c1cc(C(=O)NCC[NH+]2CCCCCC2)on1 ZINC000160223952 522028681 /nfs/dbraw/zinc/02/86/81/522028681.db2.gz ICSLJJAGHLQXJC-ZDUSSCGKSA-N 1 0 293.411 2.794 20 70 CFIDRO CN(C)c1cccc([C@@H]2CCC[N@@H+]2CCn2ccnc2)c1 ZINC000159851147 522284116 /nfs/dbraw/zinc/28/41/16/522284116.db2.gz WIXHDPNMSWZNFA-KRWDZBQOSA-N 1 0 284.407 2.786 20 70 CFIDRO CC[C@H]([NH2+]CCOc1ccc(F)cc1F)[C@@H]1CCOC1 ZINC000160089466 522596595 /nfs/dbraw/zinc/59/65/95/522596595.db2.gz VSGFYGYEMHXUGV-RISCZKNCSA-N 1 0 285.334 2.748 20 70 CFIDRO CC[C@H]([NH2+]C[C@](C)(O)CCC(C)C)[C@H]1CCOC1 ZINC000159412344 522635451 /nfs/dbraw/zinc/63/54/51/522635451.db2.gz XKXAZZXSJRZHRH-SOUVJXGZSA-N 1 0 257.418 2.578 20 70 CFIDRO CC[C@H]([NH2+]Cc1ccc(CN2CCOCC2)cc1)C1CC1 ZINC000160630059 522647395 /nfs/dbraw/zinc/64/73/95/522647395.db2.gz HKXVPVOFAQBWDY-SFHVURJKSA-N 1 0 288.435 2.797 20 70 CFIDRO C[N@H+](CC1CCN(C(=O)C(C)(C)C)CC1)[C@H]1CCSC1 ZINC000161050058 522654600 /nfs/dbraw/zinc/65/46/00/522654600.db2.gz OIVPMFBWXRBPDI-AWEZNQCLSA-N 1 0 298.496 2.708 20 70 CFIDRO COC[C@H]([NH2+]CCCc1nc2c(s1)CCCC2)C1CC1 ZINC000160636798 522735578 /nfs/dbraw/zinc/73/55/78/522735578.db2.gz HHCBXVVEOYROLX-AWEZNQCLSA-N 1 0 294.464 2.969 20 70 CFIDRO CN(Cc1ccc(OC(F)(F)F)cc1)[C@H](C[NH3+])C1CC1 ZINC000159709177 523270602 /nfs/dbraw/zinc/27/06/02/523270602.db2.gz HQNWWMLJQNYZEY-CYBMUJFWSA-N 1 0 288.313 2.754 20 70 CFIDRO CCn1ccnc1C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000160875540 523537252 /nfs/dbraw/zinc/53/72/52/523537252.db2.gz GZMKLUBBYYQRAX-OAHLLOKOSA-N 1 0 255.365 2.893 20 70 CFIDRO CO[C@@]1(C[NH2+]C2CCC(C(F)(F)F)CC2)CCOC1 ZINC000160124467 523817007 /nfs/dbraw/zinc/81/70/07/523817007.db2.gz JZXZYCPLMFHACF-HTAVTVPLSA-N 1 0 281.318 2.503 20 70 CFIDRO CN(C(=O)Cc1ccc2ccccc2c1)[C@@H](C[NH3+])C1CC1 ZINC000159809388 523851315 /nfs/dbraw/zinc/85/13/15/523851315.db2.gz SQUNKQGWAITHJH-KRWDZBQOSA-N 1 0 282.387 2.578 20 70 CFIDRO CN(C(=O)c1cc2c(s1)CCCCC2)[C@H](C[NH3+])C1CC1 ZINC000159871399 523924216 /nfs/dbraw/zinc/92/42/16/523924216.db2.gz QUUCNGVLYCVJLV-CYBMUJFWSA-N 1 0 292.448 2.826 20 70 CFIDRO CN(C(=O)c1cccc2ccccc21)[C@H](C[NH3+])C1CC1 ZINC000159882048 523947300 /nfs/dbraw/zinc/94/73/00/523947300.db2.gz AUWMWIOMGGLXOZ-MRXNPFEDSA-N 1 0 268.360 2.649 20 70 CFIDRO CNC(=O)CC[NH2+]C(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000161452200 524069010 /nfs/dbraw/zinc/06/90/10/524069010.db2.gz GVFLBDMFIJFMSC-UHFFFAOYSA-N 1 0 289.206 2.954 20 70 CFIDRO C[C@H](CCC(C)(C)C)NC(=O)CC1CC[NH2+]CC1 ZINC000159771678 524123397 /nfs/dbraw/zinc/12/33/97/524123397.db2.gz YNQUUTPATTVCKK-GFCCVEGCSA-N 1 0 254.418 2.707 20 70 CFIDRO C[C@@H]1CCCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccc(F)cc1 ZINC000218430027 524124520 /nfs/dbraw/zinc/12/45/20/524124520.db2.gz QIABJFBADZAYQE-IIAWOOMASA-N 1 0 295.398 2.981 20 70 CFIDRO C[C@H]1CCC[C@@H](C(=O)NCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC000160587653 524127083 /nfs/dbraw/zinc/12/70/83/524127083.db2.gz DDTYMFRWJHNQQV-SOUVJXGZSA-N 1 0 266.429 2.661 20 70 CFIDRO Cc1ccc(C[NH+]2CCC(Cc3nccn3C)CC2)nc1 ZINC000159967350 524439283 /nfs/dbraw/zinc/43/92/83/524439283.db2.gz BLNBVNMIUWTSFG-UHFFFAOYSA-N 1 0 284.407 2.578 20 70 CFIDRO Cc1cccc([C@@H]2CCC[N@H+]2CCC(=O)OC(C)C)n1 ZINC000159705980 524851752 /nfs/dbraw/zinc/85/17/52/524851752.db2.gz SYPWYWMZFCYCGC-HNNXBMFYSA-N 1 0 276.380 2.869 20 70 CFIDRO COc1ccc(OC)c([C@@H](C)[NH2+]CC2(CO)CCCC2)c1 ZINC000160108931 524884236 /nfs/dbraw/zinc/88/42/36/524884236.db2.gz ONWLLRYIUHIBCA-CYBMUJFWSA-N 1 0 293.407 2.907 20 70 CFIDRO C[C@H]1C[C@H]1C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000161504083 524949500 /nfs/dbraw/zinc/94/95/00/524949500.db2.gz IPAICMWXOXIXPT-SLTXQBBLSA-N 1 0 278.440 2.802 20 70 CFIDRO Cc1cc(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)nc(C(C)C)n1 ZINC000217361028 525305108 /nfs/dbraw/zinc/30/51/08/525305108.db2.gz OLWNAKRSVLWRQE-KBPBESRZSA-N 1 0 274.412 2.947 20 70 CFIDRO C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000159430123 525467041 /nfs/dbraw/zinc/46/70/41/525467041.db2.gz QGQFBVDEMWYDIY-DVOMOZLQSA-N 1 0 290.382 2.877 20 70 CFIDRO C[C@H](N[C@H]1CCC[N@@H+](C2CCCCC2)C1)c1cnn(C)c1 ZINC000160071533 525608118 /nfs/dbraw/zinc/60/81/18/525608118.db2.gz LMVMKBVGASMFSA-HOCLYGCPSA-N 1 0 290.455 2.868 20 70 CFIDRO CSC[C@@H](CCO)[NH2+][C@@H]1CCc2ccc(C)cc21 ZINC000160326915 525641814 /nfs/dbraw/zinc/64/18/14/525641814.db2.gz JUOHWARRDXAZJX-UKRRQHHQSA-N 1 0 265.422 2.686 20 70 CFIDRO C[C@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)c1cccs1 ZINC000159400318 525968996 /nfs/dbraw/zinc/96/89/96/525968996.db2.gz ILNVKPPQXKUGCW-UONOGXRCSA-N 1 0 292.448 2.938 20 70 CFIDRO Cc1ccc(C(=O)CC[N@@H+](C)[C@@H](CO)C(C)(C)C)cc1 ZINC000160904243 526042876 /nfs/dbraw/zinc/04/28/76/526042876.db2.gz YKQWATKEVNRXSP-INIZCTEOSA-N 1 0 277.408 2.907 20 70 CFIDRO Cc1ccc(C(=O)CC[N@H+]2CCC[C@H](C)[C@@H]2CO)cc1 ZINC000160944017 526044957 /nfs/dbraw/zinc/04/49/57/526044957.db2.gz BPRMELUYDQDIOK-HOCLYGCPSA-N 1 0 275.392 2.661 20 70 CFIDRO C[C@H](c1ccc(OC(F)F)cc1)N1CCC[C@@H]([NH3+])C1 ZINC000217507461 526065917 /nfs/dbraw/zinc/06/59/17/526065917.db2.gz LRMOUXVXWFMUOK-ZYHUDNBSSA-N 1 0 270.323 2.772 20 70 CFIDRO O=C(NCC[NH2+]C1CC(c2ccccc2Cl)C1)C1CC1 ZINC000160705154 526335523 /nfs/dbraw/zinc/33/55/23/526335523.db2.gz XSVHXAJZDPVBAT-UHFFFAOYSA-N 1 0 292.810 2.702 20 70 CFIDRO c1cc2cccc(CN[C@H]3CC[N@@H+]4CCCC[C@@H]34)c2[nH]1 ZINC000218109357 526449706 /nfs/dbraw/zinc/44/97/06/526449706.db2.gz MYOQIJPKIRCXTL-HOTGVXAUSA-N 1 0 269.392 2.884 20 70 CFIDRO O=C(c1cc(Cl)cc(Cl)c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159886674 526607864 /nfs/dbraw/zinc/60/78/64/526607864.db2.gz LJWACVRZHICXAJ-BETUJISGSA-N 1 0 299.201 2.960 20 70 CFIDRO CC(C)([NH3+])CNC(=O)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000160123733 527255384 /nfs/dbraw/zinc/25/53/84/527255384.db2.gz GMNSHFLYFZODJV-JKSUJKDBSA-N 1 0 282.387 2.797 20 70 CFIDRO OCCC1(C[NH2+]Cc2ccc(Cl)cc2F)CC1 ZINC000160899094 527533166 /nfs/dbraw/zinc/53/31/66/527533166.db2.gz HYJGLNKJMRMJCT-UHFFFAOYSA-N 1 0 257.736 2.731 20 70 CFIDRO O=C(NCC1([NH+]2CCCCC2)CCCCC1)C(F)F ZINC000217597766 527570936 /nfs/dbraw/zinc/57/09/36/527570936.db2.gz GRXJLBROBGQPBY-UHFFFAOYSA-N 1 0 274.355 2.557 20 70 CFIDRO CCOCCC[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000160004766 528659715 /nfs/dbraw/zinc/65/97/15/528659715.db2.gz GAGWZCIVCNNJMQ-GFCCVEGCSA-N 1 0 254.399 2.749 20 70 CFIDRO COC(=O)c1occc1C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000159601687 348013351 /nfs/dbraw/zinc/01/33/51/348013351.db2.gz VOCQHEKGTZXBIT-AAEUAGOBSA-N 1 0 263.337 2.831 20 70 CFIDRO CC[NH+]1CCC(CNc2nnc(C(F)(F)F)s2)CC1 ZINC000160163900 348015981 /nfs/dbraw/zinc/01/59/81/348015981.db2.gz UCUYKMOQKJZCAT-UHFFFAOYSA-N 1 0 294.346 2.701 20 70 CFIDRO CC[C@H](CC(=O)NCC[N@H+](C)CC)c1ccc(C)cc1 ZINC000160146812 348015998 /nfs/dbraw/zinc/01/59/98/348015998.db2.gz MJFNQQFSPGGLGD-OAHLLOKOSA-N 1 0 276.424 2.947 20 70 CFIDRO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H](CCO)CSC ZINC000160361251 348016723 /nfs/dbraw/zinc/01/67/23/348016723.db2.gz PTOLCWQEXOMFOW-CJNGLKHVSA-N 1 0 295.448 2.776 20 70 CFIDRO CC(C)CN(CC(C)C)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160636621 348019716 /nfs/dbraw/zinc/01/97/16/348019716.db2.gz WMUWBVWHCNWJMN-MRXNPFEDSA-N 1 0 295.471 2.794 20 70 CFIDRO CCN(C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)[C@@H](C)C(C)C ZINC000160758382 348020370 /nfs/dbraw/zinc/02/03/70/348020370.db2.gz MPMATAHIOSAYOW-ZFWWWQNUSA-N 1 0 281.444 2.547 20 70 CFIDRO Cc1cccc([C@H](C)NC(=O)CC[NH2+]C(C)C)c1C ZINC000160834494 348021361 /nfs/dbraw/zinc/02/13/61/348021361.db2.gz DMTDRORYTZXFMO-AWEZNQCLSA-N 1 0 262.397 2.869 20 70 CFIDRO CC[C@H](C)N(C)CC[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000217749239 348165372 /nfs/dbraw/zinc/16/53/72/348165372.db2.gz BTQXNTMWCCMKBA-ZDUSSCGKSA-N 1 0 259.397 2.988 20 70 CFIDRO Cc1ccc(O)c(C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)c1 ZINC000217732356 348165396 /nfs/dbraw/zinc/16/53/96/348165396.db2.gz FCQRLPVCRQVUFY-KBPBESRZSA-N 1 0 290.407 2.693 20 70 CFIDRO C[C@@H]1CCc2sc(C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)cc2C1 ZINC000161148225 539780404 /nfs/dbraw/zinc/78/04/04/539780404.db2.gz UFANSCDNUUDVEP-KGYLQXTDSA-N 1 0 292.448 2.873 20 70 CFIDRO CS(=O)(=O)CCCC[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000161263674 539830237 /nfs/dbraw/zinc/83/02/37/539830237.db2.gz SLDGNNWQWGUYGH-UHFFFAOYSA-N 1 0 299.411 2.615 20 70 CFIDRO CC[C@H]([NH2+]CCCN1CCCC1=O)c1ccc(F)cc1 ZINC000159561256 188431739 /nfs/dbraw/zinc/43/17/39/188431739.db2.gz OXVOGYSKYDYOBR-HNNXBMFYSA-N 1 0 278.371 2.879 20 70 CFIDRO C[N@@H+](Cc1ccc(OC(F)F)cc1)C[C@@H]1CCC[C@@H]1O ZINC000159712086 188438175 /nfs/dbraw/zinc/43/81/75/188438175.db2.gz UEPJMGYCZFBVDC-JSGCOSHPSA-N 1 0 285.334 2.881 20 70 CFIDRO C/C(=C/c1ccccc1)C[NH+]1CCC(CC(N)=O)CC1 ZINC000159791582 188441905 /nfs/dbraw/zinc/44/19/05/188441905.db2.gz MRFBDYAQULQGPL-KAMYIIQDSA-N 1 0 272.392 2.677 20 70 CFIDRO [NH3+]C[C@H]1CCCN1C(=O)/C=C/c1cccc2ccccc12 ZINC000160154825 188458010 /nfs/dbraw/zinc/45/80/10/188458010.db2.gz QBXCABYBEPPXOU-SIFUEBAJSA-N 1 0 280.371 2.803 20 70 CFIDRO Cc1cc(N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)ncn1 ZINC000160213154 188460175 /nfs/dbraw/zinc/46/01/75/188460175.db2.gz SOHWQGSYFWODSL-XJKSGUPXSA-N 1 0 282.391 2.717 20 70 CFIDRO CCC([NH3+])(CC)CNC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F ZINC000160502919 188477231 /nfs/dbraw/zinc/47/72/31/188477231.db2.gz FDBITHGEGZCQAD-CHWSQXEVSA-N 1 0 296.361 2.702 20 70 CFIDRO COc1cc([C@H](C)[NH2+]CC(=O)NC(C)C)ccc1SC ZINC000160979103 188501124 /nfs/dbraw/zinc/50/11/24/188501124.db2.gz JTPOUVWETHRDGO-NSHDSACASA-N 1 0 296.436 2.592 20 70 CFIDRO CCC(CC)(C[NH3+])C(=O)N1CCS[C@H]2CCCC[C@H]21 ZINC000161247681 188517740 /nfs/dbraw/zinc/51/77/40/188517740.db2.gz UZVHXIYIULGJKU-OLZOCXBDSA-N 1 0 284.469 2.638 20 70 CFIDRO Cc1nn(C)cc1C[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000161412043 188526707 /nfs/dbraw/zinc/52/67/07/188526707.db2.gz FDYNGRGUODBXDU-UHFFFAOYSA-N 1 0 286.354 2.681 20 70 CFIDRO Cc1ccccc1OCC[NH2+][C@@H]1CCCc2c1cnn2C ZINC000161362499 188524071 /nfs/dbraw/zinc/52/40/71/188524071.db2.gz WSCLGTIDJJORAX-OAHLLOKOSA-N 1 0 285.391 2.775 20 70 CFIDRO CCCn1nccc1C[NH2+]CCOc1cccc(C)c1 ZINC000160121950 540668382 /nfs/dbraw/zinc/66/83/82/540668382.db2.gz WVLYETRQCRGKJW-UHFFFAOYSA-N 1 0 273.380 2.770 20 70 CFIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)Cc2ccc3ccccc3c2)C1 ZINC000161129394 540688688 /nfs/dbraw/zinc/68/86/88/540688688.db2.gz BLUWUJLYKSFTQZ-IAGOWNOFSA-N 1 0 282.387 2.768 20 70 CFIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2csc3c2CCCC3)C1 ZINC000161166465 540689935 /nfs/dbraw/zinc/68/99/35/540689935.db2.gz FFLLTDWCUJTSKR-QWRGUYRKSA-N 1 0 278.421 2.627 20 70 CFIDRO Cc1ccccc1OCCCC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161336137 540692183 /nfs/dbraw/zinc/69/21/83/540692183.db2.gz MYBAMYHDLAGMRB-GJZGRUSLSA-N 1 0 290.407 2.540 20 70 CFIDRO Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161385612 540692746 /nfs/dbraw/zinc/69/27/46/540692746.db2.gz GQTSWSGHOQJIQX-UONOGXRCSA-N 1 0 299.374 2.650 20 70 CFIDRO CC(C)c1ccc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000161394982 540692838 /nfs/dbraw/zinc/69/28/38/540692838.db2.gz AXSIILLTXPJCAB-GJZGRUSLSA-N 1 0 260.381 2.810 20 70 CFIDRO CC[C@H](Oc1cccc(C)c1)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161226667 540690868 /nfs/dbraw/zinc/69/08/68/540690868.db2.gz DKFGQECWYHXQOJ-DZKIICNBSA-N 1 0 290.407 2.539 20 70 CFIDRO Cc1nc(CC(C)C)sc1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000161209848 540691365 /nfs/dbraw/zinc/69/13/65/540691365.db2.gz HCEARHGMNVSGTF-NEPJUHHUSA-N 1 0 295.452 2.650 20 70 CFIDRO [NH3+][C@H]1CCC[C@H](NC(=O)C2(c3ccccc3)CCCC2)C1 ZINC000161387517 540693077 /nfs/dbraw/zinc/69/30/77/540693077.db2.gz IDHLUMNYHXAYCZ-HOTGVXAUSA-N 1 0 286.419 2.885 20 70 CFIDRO CCC(C)(CC)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000159494625 540996490 /nfs/dbraw/zinc/99/64/90/540996490.db2.gz XQJIEEXZKPVZFY-KBPBESRZSA-N 1 0 266.429 2.755 20 70 CFIDRO C[NH+](C)CCn1cc(NC(=O)C2CCC(C)(C)CC2)cn1 ZINC000159577151 541000491 /nfs/dbraw/zinc/00/04/91/541000491.db2.gz FYVKNNXQSGUZAZ-UHFFFAOYSA-N 1 0 292.427 2.600 20 70 CFIDRO CCO[C@@H]1CCC[N@H+](Cc2c(C)nc3ccccn32)C1 ZINC000160528560 541431393 /nfs/dbraw/zinc/43/13/93/541431393.db2.gz DVLADUOVBUAMRE-CQSZACIVSA-N 1 0 273.380 2.644 20 70 CFIDRO CC(C)NC(=O)C[NH2+][C@H]1CCSc2c(Cl)cccc21 ZINC000160991986 541513499 /nfs/dbraw/zinc/51/34/99/541513499.db2.gz YKPWXBYWKLAUJO-LBPRGKRZSA-N 1 0 298.839 2.991 20 70 CFIDRO CC[C@@H](C(=O)NC1CCC(C(C)C)CC1)[NH+](C)C ZINC000161244152 541570886 /nfs/dbraw/zinc/57/08/86/541570886.db2.gz HURQDOFMEORGFN-RUXDESIVSA-N 1 0 254.418 2.658 20 70 CFIDRO COc1cc(C[NH2+]C2(C)CCC2)cc(OC)c1OC ZINC000159921671 378738429 /nfs/dbraw/zinc/73/84/29/378738429.db2.gz AEGXIMKEBZOCHZ-UHFFFAOYSA-N 1 0 265.353 2.745 20 70 CFIDRO CC(C)N(C)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000159948466 378738609 /nfs/dbraw/zinc/73/86/09/378738609.db2.gz WBIRLSUHELLBMQ-HOCLYGCPSA-N 1 0 289.423 2.557 20 70 CFIDRO COC[C@H]([NH2+]C[C@@H](C)N1CCc2ccccc21)C(C)C ZINC000159931612 378739109 /nfs/dbraw/zinc/73/91/09/378739109.db2.gz WVFFZWWFFHBMQC-ZBFHGGJFSA-N 1 0 276.424 2.698 20 70 CFIDRO Cc1cnc(N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)nc1 ZINC000160223184 378757538 /nfs/dbraw/zinc/75/75/38/378757538.db2.gz QONXQTKAWRRZHA-GOEBONIOSA-N 1 0 282.391 2.717 20 70 CFIDRO C[C@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)c1ccco1 ZINC000160224250 378757665 /nfs/dbraw/zinc/75/76/65/378757665.db2.gz RUNXYMQBZWQZJN-LBPRGKRZSA-N 1 0 288.347 2.828 20 70 CFIDRO CCNC(=O)c1cccc(C[NH2+][C@@H](C)C(C)(C)C)c1 ZINC000160194847 378754315 /nfs/dbraw/zinc/75/43/15/378754315.db2.gz HBYMMZYFQMGBHZ-LBPRGKRZSA-N 1 0 262.397 2.961 20 70 CFIDRO CCOC(C)(C)C[NH2+]Cc1nn(CC)c2ccccc12 ZINC000159363901 378704934 /nfs/dbraw/zinc/70/49/34/378704934.db2.gz FCHFHWRGTVZQJE-UHFFFAOYSA-N 1 0 275.396 2.961 20 70 CFIDRO CCc1ccc(/C=C/C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)o1 ZINC000159439907 378708632 /nfs/dbraw/zinc/70/86/32/378708632.db2.gz QVJKCKZKGHSZBP-VFNNOXKTSA-N 1 0 288.391 2.552 20 70 CFIDRO CCCC[C@H](C)[NH2+]C1CCN(C(=O)c2ccncc2)CC1 ZINC000160219301 378755506 /nfs/dbraw/zinc/75/55/06/378755506.db2.gz HKOCXXXBMCKFSH-AWEZNQCLSA-N 1 0 289.423 2.855 20 70 CFIDRO COc1ccc(C)cc1[C@@H](C)[NH2+]CCCN1CCCC1=O ZINC000159513019 378713472 /nfs/dbraw/zinc/71/34/72/378713472.db2.gz KBZFQXHNLINLCE-CQSZACIVSA-N 1 0 290.407 2.667 20 70 CFIDRO CC1(C)Cc2occc2[C@H]([NH2+]CCCN2CCCC2=O)C1 ZINC000159501941 378713892 /nfs/dbraw/zinc/71/38/92/378713892.db2.gz VXXPZROGVPQBPH-CQSZACIVSA-N 1 0 290.407 2.895 20 70 CFIDRO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)O ZINC000159496816 378714354 /nfs/dbraw/zinc/71/43/54/378714354.db2.gz YAMKTZQVNBNKQD-BFHYXJOUSA-N 1 0 292.423 2.840 20 70 CFIDRO C[C@@H]([NH2+]CCCN1CCCC1=O)c1cc(F)cc(F)c1 ZINC000159532157 378714921 /nfs/dbraw/zinc/71/49/21/378714921.db2.gz WUEUWKGFLNRWQB-LLVKDONJSA-N 1 0 282.334 2.628 20 70 CFIDRO Cc1ccc2c(c1)[C@@H]([NH2+]CCCN1CCCC1=O)CC2 ZINC000159548464 378715412 /nfs/dbraw/zinc/71/54/12/378715412.db2.gz JEHKFCWHTRPDLK-INIZCTEOSA-N 1 0 272.392 2.584 20 70 CFIDRO Cn1c(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)nc2ccccc21 ZINC000159571168 378716650 /nfs/dbraw/zinc/71/66/50/378716650.db2.gz UETVFZYZLOFARS-VUCTXSBTSA-N 1 0 297.402 2.621 20 70 CFIDRO C[C@H](O)C[N@H+](C)[C@@H](C)c1ccc(Br)cc1 ZINC000159566228 378717132 /nfs/dbraw/zinc/71/71/32/378717132.db2.gz PUGCNAXEQFMZFH-UWVGGRQHSA-N 1 0 272.186 2.823 20 70 CFIDRO COC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCCSC1 ZINC000159586868 378718955 /nfs/dbraw/zinc/71/89/55/378718955.db2.gz PLESWAISKCZBJP-CABCVRRESA-N 1 0 265.422 2.729 20 70 CFIDRO Cc1ccc(C(=O)NCC2([NH3+])CCCCC2)c(C)c1 ZINC000159594814 378719005 /nfs/dbraw/zinc/71/90/05/378719005.db2.gz WAUUDARJKIEBHC-UHFFFAOYSA-N 1 0 260.381 2.695 20 70 CFIDRO CC(C)OCCN1CCO[C@@]2(CCc3ccccc32)C1 ZINC000159604932 378719903 /nfs/dbraw/zinc/71/99/03/378719903.db2.gz QFNSECCYPRAZAM-KRWDZBQOSA-N 1 0 275.392 2.585 20 70 CFIDRO [NH3+]C1(CNC(=O)C2(Cc3ccccc3)CC2)CCCCC1 ZINC000159685614 378724612 /nfs/dbraw/zinc/72/46/12/378724612.db2.gz FCBPFNBCBAVJHV-UHFFFAOYSA-N 1 0 286.419 2.787 20 70 CFIDRO [NH3+]C1(CNC(=O)[C@@H]2CSc3ccccc32)CCCCC1 ZINC000159682697 378724675 /nfs/dbraw/zinc/72/46/75/378724675.db2.gz NGMTWWJWQVFIFC-CYBMUJFWSA-N 1 0 290.432 2.654 20 70 CFIDRO CCSCC[C@H](C)NC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000160209823 378756395 /nfs/dbraw/zinc/75/63/95/378756395.db2.gz KEROTBBKYBRURU-SWLSCSKDSA-N 1 0 280.437 2.508 20 70 CFIDRO COc1ccccc1C[N@H+](CCn1ccnc1)C1CC1 ZINC000159764067 378728671 /nfs/dbraw/zinc/72/86/71/378728671.db2.gz DYMVBRPGHJVCFE-UHFFFAOYSA-N 1 0 271.364 2.556 20 70 CFIDRO CN(C)c1cccc(C[N@H+](C)Cc2ccccn2)c1 ZINC000159823867 378731648 /nfs/dbraw/zinc/73/16/48/378731648.db2.gz FWNOJKQYRCVLHF-UHFFFAOYSA-N 1 0 255.365 2.780 20 70 CFIDRO [NH3+]C[C@@H]1CCCN1C(=O)c1ccc(Oc2ccccc2)o1 ZINC000160264710 378760665 /nfs/dbraw/zinc/76/06/65/378760665.db2.gz KDMXASFJOFBRTA-LBPRGKRZSA-N 1 0 286.331 2.635 20 70 CFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cccc(C)c1C)CC2 ZINC000160350809 378765513 /nfs/dbraw/zinc/76/55/13/378765513.db2.gz RYEFIMYGXVDAOT-DZGCQCFKSA-N 1 0 284.407 2.869 20 70 CFIDRO COc1ccccc1C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000160426718 378771809 /nfs/dbraw/zinc/77/18/09/378771809.db2.gz HHYDRXNRCGDIRR-CQSZACIVSA-N 1 0 290.407 2.545 20 70 CFIDRO CC[C@@H]([NH2+]Cc1ccccc1CN1CCOCC1)C1CC1 ZINC000160498811 378777639 /nfs/dbraw/zinc/77/76/39/378777639.db2.gz VRFLOKUSQORCIK-GOSISDBHSA-N 1 0 288.435 2.797 20 70 CFIDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2CCOC(C)(C)C2)C1 ZINC000160530403 378779354 /nfs/dbraw/zinc/77/93/54/378779354.db2.gz HFDOBPONRZMDLP-STQMWFEESA-N 1 0 298.427 2.543 20 70 CFIDRO [NH3+]CCCCCCC(=O)NC1(c2cccc(F)c2)CC1 ZINC000160523695 378779725 /nfs/dbraw/zinc/77/97/25/378779725.db2.gz LGSYKBBSZAOUDE-UHFFFAOYSA-N 1 0 278.371 2.840 20 70 CFIDRO CC1(C)C[C@@H]([NH2+]Cc2cccc3c2OCCCO3)CCO1 ZINC000160540638 378780969 /nfs/dbraw/zinc/78/09/69/378780969.db2.gz FRJBPQQLNYXUSG-AWEZNQCLSA-N 1 0 291.391 2.895 20 70 CFIDRO CC(C)(C)[C@H]([NH3+])C(=O)NCC1(c2cccc(Cl)c2)CC1 ZINC000160546287 378781279 /nfs/dbraw/zinc/78/12/79/378781279.db2.gz ISCJDXUHIYJAOY-CYBMUJFWSA-N 1 0 294.826 2.861 20 70 CFIDRO C[C@@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1ccc([S@@](C)=O)cc1 ZINC000160574520 378782379 /nfs/dbraw/zinc/78/23/79/378782379.db2.gz OETAKBAKOXAZHL-XNGSYYAWSA-N 1 0 295.448 2.626 20 70 CFIDRO CC[C@@H](C)C[N@H+](CC)[C@H](C(N)=O)c1ccc(F)cc1 ZINC000160583545 378784158 /nfs/dbraw/zinc/78/41/58/378784158.db2.gz DLBRFPNKDLQGCS-RISCZKNCSA-N 1 0 266.360 2.720 20 70 CFIDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]CC(C)(C)O)cc1 ZINC000160621797 378785475 /nfs/dbraw/zinc/78/54/75/378785475.db2.gz YFSYMZXKGZDVJS-GFCCVEGCSA-N 1 0 273.380 2.602 20 70 CFIDRO Cc1nn(C)cc1C[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000160618978 378785977 /nfs/dbraw/zinc/78/59/77/378785977.db2.gz ZNDASGMMGGAPKP-UHFFFAOYSA-N 1 0 295.333 2.962 20 70 CFIDRO O[C@H](CC[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)c1ccccc1 ZINC000160722779 378793629 /nfs/dbraw/zinc/79/36/29/378793629.db2.gz OUCMDRCUGJDASB-KZNAEPCWSA-N 1 0 289.419 2.737 20 70 CFIDRO CCN1CCCC[C@@H]1C[NH2+][C@@H](C)c1cncc(F)c1 ZINC000161198257 378829946 /nfs/dbraw/zinc/82/99/46/378829946.db2.gz SGNFBQJMBGTROH-SWLSCSKDSA-N 1 0 265.376 2.746 20 70 CFIDRO CCC(CC)(C[NH3+])C(=O)NC[C@H]1CCc2ccccc21 ZINC000161223455 378831658 /nfs/dbraw/zinc/83/16/58/378831658.db2.gz HFKXUSRTGGYQNJ-CQSZACIVSA-N 1 0 274.408 2.598 20 70 CFIDRO C[NH2+]C[C@H]1CCCN1C(=O)C[C@H](C)c1cccc(F)c1 ZINC000161236470 378833087 /nfs/dbraw/zinc/83/30/87/378833087.db2.gz CVZCJKATPCTSRH-SWLSCSKDSA-N 1 0 278.371 2.530 20 70 CFIDRO COc1ccc(CC[C@H](C)[NH2+]Cc2cnn(C)c2C)cc1 ZINC000161268702 378833891 /nfs/dbraw/zinc/83/38/91/378833891.db2.gz GOWOGVYBTISHKD-ZDUSSCGKSA-N 1 0 287.407 2.848 20 70 CFIDRO CC(C)C1(CNC(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000160818864 378801710 /nfs/dbraw/zinc/80/17/10/378801710.db2.gz DYXCPGKMKJBJPT-DZGCQCFKSA-N 1 0 274.408 2.875 20 70 CFIDRO Cc1nccc(N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000160867715 378805705 /nfs/dbraw/zinc/80/57/05/378805705.db2.gz RNZKLYKKNXOYIK-CJNGLKHVSA-N 1 0 282.391 2.860 20 70 CFIDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CC1(C)C ZINC000160901211 378807330 /nfs/dbraw/zinc/80/73/30/378807330.db2.gz JVQUQMHVKDOZFH-RQJABVFESA-N 1 0 266.429 2.515 20 70 CFIDRO Cc1cc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)ccc1OC(C)C ZINC000160903402 378807541 /nfs/dbraw/zinc/80/75/41/378807541.db2.gz GXWWLECUFNRQQP-QWHCGFSZSA-N 1 0 276.380 2.848 20 70 CFIDRO C[C@@H](CCC1CCCCC1)NC(=O)[C@@H]1CCC[NH2+]1 ZINC000160915363 378809913 /nfs/dbraw/zinc/80/99/13/378809913.db2.gz FZYPVJBEYIUPSN-JSGCOSHPSA-N 1 0 252.402 2.604 20 70 CFIDRO c1cc2c(s1)CCC[C@H]2[NH2+]Cc1cnc2cnccn12 ZINC000160952269 378811941 /nfs/dbraw/zinc/81/19/41/378811941.db2.gz ZTJYXVBCXJDMGH-CYBMUJFWSA-N 1 0 284.388 2.958 20 70 CFIDRO O=C(NCC[NH2+]Cc1c(Cl)oc2ccccc21)C1CC1 ZINC000161013864 378815046 /nfs/dbraw/zinc/81/50/46/378815046.db2.gz OCIUUINGGSFHMW-UHFFFAOYSA-N 1 0 292.766 2.702 20 70 CFIDRO NC(=O)c1c[nH+]ccc1N[C@@H]1CCCc2sccc21 ZINC000161052598 378817608 /nfs/dbraw/zinc/81/76/08/378817608.db2.gz LXQQDGFYYCMCMR-LLVKDONJSA-N 1 0 273.361 2.732 20 70 CFIDRO O=C(N[C@@H]1CCC[C@@H]1Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000161055634 378817993 /nfs/dbraw/zinc/81/79/93/378817993.db2.gz LRDURIHEFAGJLE-BRWVUGGUSA-N 1 0 286.419 2.514 20 70 CFIDRO CCC(CC)c1cc(CNC(=O)CC2CC[NH2+]CC2)on1 ZINC000161110822 378823158 /nfs/dbraw/zinc/82/31/58/378823158.db2.gz XRRRIJCSDPNMTC-UHFFFAOYSA-N 1 0 293.411 2.584 20 70 CFIDRO C[C@@H](O)C(C)(C)[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000161136741 378824606 /nfs/dbraw/zinc/82/46/06/378824606.db2.gz WHNHQJAFFMDKLN-SNVBAGLBSA-N 1 0 299.798 2.750 20 70 CFIDRO C[C@@H]([NH3+])C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000161129454 378824691 /nfs/dbraw/zinc/82/46/91/378824691.db2.gz GLWBPHARGNOLOA-ZCFIWIBFSA-N 1 0 294.754 2.983 20 70 CFIDRO C[C@H]1CCC[N@@H+]1C1CCN(C(=O)NC2CCCCC2)CC1 ZINC000161160574 378828334 /nfs/dbraw/zinc/82/83/34/378828334.db2.gz PJAQOVCUWMHKGC-AWEZNQCLSA-N 1 0 293.455 2.977 20 70 CFIDRO Cc1cc(NC[C@@H]2CCC[N@@H+](CC(C)C)C2)ncn1 ZINC000161312911 378839642 /nfs/dbraw/zinc/83/96/42/378839642.db2.gz GARVMASXXOAAGK-AWEZNQCLSA-N 1 0 262.401 2.565 20 70 CFIDRO CCC[NH2+]CCNCc1cccc(Br)c1 ZINC000161366986 378841233 /nfs/dbraw/zinc/84/12/33/378841233.db2.gz MSXVSMPBOBLZPL-UHFFFAOYSA-N 1 0 271.202 2.538 20 70 CFIDRO COc1ccc(OC)c(CC[NH2+][C@@H](C)C(C)C)c1 ZINC000161414591 378844063 /nfs/dbraw/zinc/84/40/63/378844063.db2.gz XQYQNLMHDGVNNL-LBPRGKRZSA-N 1 0 251.370 2.880 20 70 CFIDRO COc1ccc(CN(C)CCC[NH+]2CCCCC2)cc1O ZINC000161408309 378845030 /nfs/dbraw/zinc/84/50/30/378845030.db2.gz JCOFLTXENSPSFK-UHFFFAOYSA-N 1 0 292.423 2.709 20 70 CFIDRO CC[C@H](C(=O)Nc1cc(C2CCCCC2)nn1C)[NH+](C)C ZINC000161423639 378845660 /nfs/dbraw/zinc/84/56/60/378845660.db2.gz RJURGCGGWKTNBE-CQSZACIVSA-N 1 0 292.427 2.747 20 70 CFIDRO C[C@H]([NH2+]C[C@H](CO)c1ccccc1)c1cncs1 ZINC000161467791 378849236 /nfs/dbraw/zinc/84/92/36/378849236.db2.gz NWTHJCJIAKLFLN-WCQYABFASA-N 1 0 262.378 2.570 20 70 CFIDRO C[C@@H]([NH2+]C[C@H](CO)c1ccccc1)c1cncs1 ZINC000161467928 378849518 /nfs/dbraw/zinc/84/95/18/378849518.db2.gz NWTHJCJIAKLFLN-DGCLKSJQSA-N 1 0 262.378 2.570 20 70 CFIDRO CC1(C(=O)N2CCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000161507496 378853465 /nfs/dbraw/zinc/85/34/65/378853465.db2.gz YHKDMGBUGGTMCO-UHFFFAOYSA-N 1 0 272.392 2.521 20 70 CFIDRO [NH3+]CCCN1CCC(c2ccccc2Br)CC1 ZINC000217257047 382785923 /nfs/dbraw/zinc/78/59/23/382785923.db2.gz CIVNWKPZHDUDPW-UHFFFAOYSA-N 1 0 297.240 2.977 20 70 CFIDRO CC[C@@H](C)[N@H+](C)CCNCc1cc(OC)cc(OC)c1 ZINC000217377257 382786388 /nfs/dbraw/zinc/78/63/88/382786388.db2.gz QWZRBTFRKCNYFX-CYBMUJFWSA-N 1 0 280.412 2.524 20 70 CFIDRO CC[C@@H](C)[N@H+](C)CCNc1ncnc2sccc21 ZINC000217367434 382786479 /nfs/dbraw/zinc/78/64/79/382786479.db2.gz QGXFNIYPCJCZQW-SNVBAGLBSA-N 1 0 264.398 2.834 20 70 CFIDRO Fc1ccc(CN[C@H]2CC[N@@H+]3CCCC[C@@H]23)c(F)c1 ZINC000217643040 382787543 /nfs/dbraw/zinc/78/75/43/382787543.db2.gz BKLXVKJTYXWEAB-GJZGRUSLSA-N 1 0 266.335 2.681 20 70 CFIDRO CSC[C@](C)(O)C[NH2+]Cc1ccc(OC(C)C)cc1 ZINC000217866164 382788045 /nfs/dbraw/zinc/78/80/45/382788045.db2.gz BJYOVZWVZUIAAH-OAHLLOKOSA-N 1 0 283.437 2.677 20 70 CFIDRO CC(C)C[NH+]1CCC(Nc2cccc(F)n2)CC1 ZINC000218118931 382789234 /nfs/dbraw/zinc/78/92/34/382789234.db2.gz OWEGSECFACTKNR-UHFFFAOYSA-N 1 0 251.349 2.753 20 70 CFIDRO CCN(CC[NH2+]Cc1cccc2cc[nH]c21)C1CC1 ZINC000218180540 382789404 /nfs/dbraw/zinc/78/94/04/382789404.db2.gz MOHZPPUAPAGXRV-UHFFFAOYSA-N 1 0 257.381 2.742 20 70 CFIDRO Cc1nc(C)c(C(=O)NCC[NH2+]C2CCCCCC2)s1 ZINC000218317838 382790113 /nfs/dbraw/zinc/79/01/13/382790113.db2.gz NODXKKGCDWVZTA-UHFFFAOYSA-N 1 0 295.452 2.802 20 70 CFIDRO CCCC[C@@H](COC)[NH2+][C@H](CCO)c1ccccc1 ZINC000161046216 394366831 /nfs/dbraw/zinc/36/68/31/394366831.db2.gz JEVNINMDNOVJNF-JKSUJKDBSA-N 1 0 265.397 2.905 20 70 CFIDRO CCC(CC)(C[NH3+])C(=O)NC[C@H](C)Oc1ccccc1C ZINC000161245416 394367120 /nfs/dbraw/zinc/36/71/20/394367120.db2.gz UDSCDPJVVGWCRY-AWEZNQCLSA-N 1 0 292.423 2.644 20 70 CFIDRO CCO[C@@H]1C[C@@H]([NH2+]CC2(N(C)C)CCCC2)C12CCC2 ZINC000160686121 286279068 /nfs/dbraw/zinc/27/90/68/286279068.db2.gz DIZIAYMVQKQBDX-HUUCEWRRSA-N 1 0 280.456 2.798 20 70 CFIDRO C[C@@H]1CCC[C@@H](C(=O)NCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC000160587523 287372126 /nfs/dbraw/zinc/37/21/26/287372126.db2.gz DDTYMFRWJHNQQV-QLFBSQMISA-N 1 0 266.429 2.661 20 70 CFIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1csc2c1CC[C@H](C)C2 ZINC000161329114 277285317 /nfs/dbraw/zinc/28/53/17/277285317.db2.gz OZUOPMRWQZVISI-NWDGAFQWSA-N 1 0 292.448 2.697 20 70 CFIDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N(C)C1CCC1 ZINC000160917877 277388295 /nfs/dbraw/zinc/38/82/95/277388295.db2.gz KKYOWNPMGAJMTP-HNNXBMFYSA-N 1 0 281.444 2.691 20 70 CFIDRO C[C@H]([NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)c1ccccn1 ZINC000160815784 278278590 /nfs/dbraw/zinc/27/85/90/278278590.db2.gz QGRHKPMDIODIMW-MXYBEHONSA-N 1 0 260.381 2.936 20 70 CFIDRO CC[C@H](COC)[NH2+]C[C@H](C)N1CCc2sccc2C1 ZINC000159878683 280850820 /nfs/dbraw/zinc/85/08/20/280850820.db2.gz KMXBVUXRINMWAI-GXTWGEPZSA-N 1 0 282.453 2.509 20 70 CFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C(C)C)CC2 ZINC000160411740 293554790 /nfs/dbraw/zinc/55/47/90/293554790.db2.gz CFPKVAUUKLVPBR-RBSFLKMASA-N 1 0 276.428 2.706 20 70 CFIDRO [NH3+]CC[C@H]1CCCN(C(=O)C2C3CC4CC(C3)CC2C4)C1 ZINC000160201294 303389862 /nfs/dbraw/zinc/38/98/62/303389862.db2.gz XHSJRMGHMNBGOZ-XXXXFFMBSA-N 1 0 290.451 2.646 20 70 CFIDRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCC3(CCCC3)CC2)C1 ZINC000159457426 322322892 /nfs/dbraw/zinc/32/28/92/322322892.db2.gz SNFBKQLMSCBNPL-OAHLLOKOSA-N 1 0 293.455 2.694 20 70 CFIDRO CC[C@]1(C)C[C@@H]1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000159560184 322323946 /nfs/dbraw/zinc/32/39/46/322323946.db2.gz CPKRSQIWPUQTPW-JKIFEVAISA-N 1 0 290.407 2.969 20 70 CFIDRO C[C@H](OC1CCCCCC1)C(=O)NCC(C)(C)C[NH+](C)C ZINC000159580768 322324667 /nfs/dbraw/zinc/32/46/67/322324667.db2.gz PBEDZTFVXYPLCG-AWEZNQCLSA-N 1 0 298.471 2.818 20 70 CFIDRO CCc1oc(C(=O)NCC[NH+](C(C)C)C(C)C)cc1C ZINC000159626721 322325045 /nfs/dbraw/zinc/32/50/45/322325045.db2.gz VTJBHFPDZSSNLQ-UHFFFAOYSA-N 1 0 280.412 2.999 20 70 CFIDRO COc1cccc(C[C@@H]([NH2+]CCO)c2ccccc2)c1 ZINC000159684599 322326929 /nfs/dbraw/zinc/32/69/29/322326929.db2.gz KIEKTUPKWJMEKZ-QGZVFWFLSA-N 1 0 271.360 2.561 20 70 CFIDRO CC(C)[N@H+](CCc1nccs1)Cc1ccccn1 ZINC000159748066 322327470 /nfs/dbraw/zinc/32/74/70/322327470.db2.gz AWNTYRSWPKXUCQ-UHFFFAOYSA-N 1 0 261.394 2.991 20 70 CFIDRO C[N@@H+](Cc1cc(F)cc2cccnc21)C[C@@H]1CCC[C@@H]1O ZINC000159842003 322329349 /nfs/dbraw/zinc/32/93/49/322329349.db2.gz YNTWOIABUVDHCC-BBRMVZONSA-N 1 0 288.366 2.967 20 70 CFIDRO CC[N@H+](Cc1nc2ccccc2c(=O)[nH]1)CC(C)(C)C ZINC000159916322 322330641 /nfs/dbraw/zinc/33/06/41/322330641.db2.gz HLCCAQXREORTOQ-UHFFFAOYSA-N 1 0 273.380 2.791 20 70 CFIDRO CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)c1ccccc1 ZINC000159984768 322331591 /nfs/dbraw/zinc/33/15/91/322331591.db2.gz OWWCZJHOFWVHRV-GOEBONIOSA-N 1 0 276.424 2.883 20 70 CFIDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H]1CC1(C)C ZINC000160080999 322332393 /nfs/dbraw/zinc/33/23/93/322332393.db2.gz OZGNKFYRGIMDDB-CHWSQXEVSA-N 1 0 254.418 2.659 20 70 CFIDRO CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)[C@H](C)[NH3+] ZINC000160078024 322332402 /nfs/dbraw/zinc/33/24/02/322332402.db2.gz ATIKFGGYBGUORR-GXFFZTMASA-N 1 0 268.788 2.843 20 70 CFIDRO C[C@@H]1CCC[C@H](CCNC(=O)C[N@H+](C)[C@@H]2CCSC2)C1 ZINC000160057192 322332454 /nfs/dbraw/zinc/33/24/54/322332454.db2.gz IPVJJWLVKQFPRH-RBSFLKMASA-N 1 0 298.496 2.756 20 70 CFIDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H]1CC1(C)C ZINC000160080756 322332592 /nfs/dbraw/zinc/33/25/92/322332592.db2.gz OZGNKFYRGIMDDB-OLZOCXBDSA-N 1 0 254.418 2.659 20 70 CFIDRO CCC([NH3+])(CC)CNC(=O)/C=C/c1ccc2ccccc2n1 ZINC000160466506 322338546 /nfs/dbraw/zinc/33/85/46/322338546.db2.gz ZDFJHAKLXFYDBY-VAWYXSNFSA-N 1 0 297.402 2.882 20 70 CFIDRO C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000160457452 322338562 /nfs/dbraw/zinc/33/85/62/322338562.db2.gz SXIISDLWKVBOJT-BARDWOONSA-N 1 0 296.480 2.603 20 70 CFIDRO Cc1c([C@H](C)[NH2+]CC(C)(C)O)cnn1-c1ccc(F)cc1 ZINC000160607921 322340660 /nfs/dbraw/zinc/34/06/60/322340660.db2.gz RJAPSFGWLXHJGU-NSHDSACASA-N 1 0 291.370 2.741 20 70 CFIDRO CC(C)S(=O)(=O)CCC[N@H+](C)[C@H]1CCC[C@@H](C)C1 ZINC000160795176 322342849 /nfs/dbraw/zinc/34/28/49/322342849.db2.gz JWLSDGDIUFPGND-KGLIPLIRSA-N 1 0 275.458 2.710 20 70 CFIDRO C[C@@H]1C[NH+](Cc2cnc3ccccn23)C[C@@H](C)S1 ZINC000160814867 322343772 /nfs/dbraw/zinc/34/37/72/322343772.db2.gz XHRXGPQSFMRVHM-VXGBXAGGSA-N 1 0 261.394 2.660 20 70 CFIDRO CC[C@H]1C[N@H+](Cc2cnc3ccccn23)CCS1 ZINC000160883032 322343953 /nfs/dbraw/zinc/34/39/53/322343953.db2.gz SWFMFDSHDCUKQK-ZDUSSCGKSA-N 1 0 261.394 2.662 20 70 CFIDRO CCc1cc(=O)[nH]c(C[N@H+](CC)CCc2ccccc2)n1 ZINC000160878146 322344123 /nfs/dbraw/zinc/34/41/23/322344123.db2.gz AMRQZMFGGQRWBR-UHFFFAOYSA-N 1 0 285.391 2.809 20 70 CFIDRO CC(C)[NH2+]CCC(=O)N1C[C@H](c2ccccc2)C[C@@H]1C ZINC000160904566 322344765 /nfs/dbraw/zinc/34/47/65/322344765.db2.gz XWMDIWXIRZEXJQ-GOEBONIOSA-N 1 0 274.408 2.779 20 70 CFIDRO CC(C)C[C@H](C)NC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000160904721 322344966 /nfs/dbraw/zinc/34/49/66/322344966.db2.gz QEFNDLCZDCSWRR-MJBXVCDLSA-N 1 0 269.433 2.593 20 70 CFIDRO Cc1ccc(C(=O)CC[N@H+]2CCC[C@H]([C@@H](C)O)C2)cc1 ZINC000160934056 322345286 /nfs/dbraw/zinc/34/52/86/322345286.db2.gz HNVIHCQVDGLBDD-ZBFHGGJFSA-N 1 0 275.392 2.661 20 70 CFIDRO CCC[C@@]1(C)CCCN(C(=O)CC[NH2+]C(C)C)C1 ZINC000160932930 322345349 /nfs/dbraw/zinc/34/53/49/322345349.db2.gz GIMREZPCWIBBLJ-HNNXBMFYSA-N 1 0 254.418 2.803 20 70 CFIDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)C1CCC(C)(C)CC1 ZINC000161098574 322346877 /nfs/dbraw/zinc/34/68/77/322346877.db2.gz BPZCIMCAGZEHPR-HNNXBMFYSA-N 1 0 298.471 2.676 20 70 CFIDRO CS[C@H](C)CC(=O)NCC[N@H+](C)C1CCCCC1 ZINC000161261472 322349482 /nfs/dbraw/zinc/34/94/82/322349482.db2.gz MCSIVJZNFKXJJJ-GFCCVEGCSA-N 1 0 272.458 2.509 20 70 CFIDRO CC(C)[NH2+]CCC(=O)N1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000161245470 322349495 /nfs/dbraw/zinc/34/94/95/322349495.db2.gz SGMCAOYZKNDUMN-ZFWWWQNUSA-N 1 0 292.398 2.918 20 70 CFIDRO CS[C@@H](C)CC(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000161434094 322351928 /nfs/dbraw/zinc/35/19/28/322351928.db2.gz NRCZCZNINQRESO-AWEZNQCLSA-N 1 0 298.496 2.853 20 70 CFIDRO