smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Clc1cccc(-c2n[nH]c(C3CC[NH2+]CC3)n2)c1 ZINC000064875528 526972305 /nfs/dbraw/zinc/97/23/05/526972305.db2.gz PLWGETKOEQWPNK-UHFFFAOYSA-N 1 0 262.744 2.592 40 0 CFABRO CC(C)[C@@H]([NH3+])c1nnc(-c2ccc(Cl)cc2)[nH]1 ZINC000095534719 185006546 /nfs/dbraw/zinc/00/65/46/185006546.db2.gz IPFODOVRLSRIQJ-SNVBAGLBSA-N 1 0 250.733 2.781 40 0 CFABRO C[C@]12CC[N@H+](Cc3ccccc3)[C@H]1CCCCC(=O)N2 ZINC000095951584 185040255 /nfs/dbraw/zinc/04/02/55/185040255.db2.gz KKDVBXFHZKXLGO-RDJZCZTQSA-N 1 0 272.392 2.710 40 0 CFABRO C[NH+](C)CCOC(=O)C12CC3C[C@H](C1)CC[C@@H](C3)C2 ZINC000000289779 282106344 /nfs/dbraw/zinc/10/63/44/282106344.db2.gz HMPNSQYMTGMMPC-KKNUOHPOSA-N 1 0 265.397 2.698 40 0 CFABRO CCOC[C@]12CCCO[C@H]1CC[N@H+](Cc1ccoc1)C2 ZINC000096039313 185069633 /nfs/dbraw/zinc/06/96/33/185069633.db2.gz KRLYSIGFBFAJGL-JKSUJKDBSA-N 1 0 279.380 2.687 40 0 CFABRO CCO[C@H]1COC2(C1)CC[NH+](Cc1cccs1)CC2 ZINC000096048096 185072853 /nfs/dbraw/zinc/07/28/53/185072853.db2.gz PHCCTQHKROHACS-CYBMUJFWSA-N 1 0 281.421 2.908 40 0 CFABRO O=C(c1ccccn1)N1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC000096049304 185073058 /nfs/dbraw/zinc/07/30/58/185073058.db2.gz GNSUUUXTHXUABY-UHFFFAOYSA-N 1 0 299.418 2.562 40 0 CFABRO Cc1ccc2[nH]c(CO[C@H]3C[N@H+](C(C)C)C[C@H]3F)nc2c1 ZINC000096112317 185100651 /nfs/dbraw/zinc/10/06/51/185100651.db2.gz DCOJTAJYKJTYMI-DOMZBBRYSA-N 1 0 291.370 2.819 40 0 biogenic,in-vitro CFABRO COC[C@@]12CCO[C@@H]1CC[N@H+](Cc1ccc(F)c(F)c1)C2 ZINC000096110330 185100923 /nfs/dbraw/zinc/10/09/23/185100923.db2.gz FVQDKXOXZZGSQK-CVEARBPZSA-N 1 0 297.345 2.592 40 0 CFABRO C[N@@H+]1CCC[C@H](C(=O)NC2CCCCCCC2)C1 ZINC000096629262 185108177 /nfs/dbraw/zinc/10/81/77/185108177.db2.gz URDKMSJTMJZRMR-ZDUSSCGKSA-N 1 0 252.402 2.557 40 0 CFABRO CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCO1 ZINC000409439046 539501510 /nfs/dbraw/zinc/50/15/10/539501510.db2.gz GADIDLUFQJHZAH-MGPQQGTHSA-N 1 0 298.427 2.591 40 0 CFABRO CC[N@H+](C)[C@@H]1CN(C(=O)COC(C)C)C2(C1)CCCCC2 ZINC000019703970 346242375 /nfs/dbraw/zinc/24/23/75/346242375.db2.gz YEDJHZSIBOXECW-HNNXBMFYSA-N 1 0 296.455 2.667 40 0 CFABRO C[C@@]12CC[N@H+](Cc3cccc(F)c3)[C@@H]1CCCCC(=O)N2 ZINC000019713693 346242421 /nfs/dbraw/zinc/24/24/21/346242421.db2.gz FGACCXNZWBJFQO-NVXWUHKLSA-N 1 0 290.382 2.849 40 0 CFABRO O=C1C[C@@H]([NH2+]Cc2ccccc2)CN1Cc1ccccc1 ZINC000034419130 346316517 /nfs/dbraw/zinc/31/65/17/346316517.db2.gz KGFPCNVJJUDZEQ-QGZVFWFLSA-N 1 0 280.371 2.577 40 0 CFABRO OCC[NH2+]Cc1ccc(Br)c2ccccc12 ZINC000085391762 179048514 /nfs/dbraw/zinc/04/85/14/179048514.db2.gz OYHUZAXGDNGCJJ-UHFFFAOYSA-N 1 0 280.165 2.684 40 0 CFABRO COCC[NH2+]CCOC1CCC(c2ccccc2)CC1 ZINC000085391267 179048684 /nfs/dbraw/zinc/04/86/84/179048684.db2.gz YWZIRWBKFCVAJD-UHFFFAOYSA-N 1 0 277.408 2.965 40 0 CFABRO CC(C)(C)OC(=O)N[C@H]1C[C@H]([NH3+])C[C@@H](C(F)(F)F)C1 ZINC000225605913 348178591 /nfs/dbraw/zinc/17/85/91/348178591.db2.gz IGLQMKSPQXOIJS-IWSPIJDZSA-N 1 0 282.306 2.569 40 0 CFABRO OC1(COc2ccc(F)cc2)CC[NH+](C2CCCC2)CC1 ZINC000585268877 348738768 /nfs/dbraw/zinc/73/87/68/348738768.db2.gz CBQGCWOVFOKXRI-UHFFFAOYSA-N 1 0 293.382 2.974 40 0 CFABRO O[C@H]1[C@H](Oc2ccccc2)CCC[C@@H]1[NH2+]Cc1ccccn1 ZINC000585289663 348738900 /nfs/dbraw/zinc/73/89/00/348738900.db2.gz UKNZXVZJBYSQLT-RCCFBDPRSA-N 1 0 298.386 2.532 40 0 CFABRO Cc1ccccc1C[N@H+]1CCC[C@@]2(CCN(C)C2=O)CC1 ZINC000108532653 186222400 /nfs/dbraw/zinc/22/24/00/186222400.db2.gz WKFHNNALVZPCSH-GOSISDBHSA-N 1 0 286.419 2.829 40 0 CFABRO CCOc1ccc(OCC)c([C@H](O)[C@H](C)[NH2+]C(C)C)c1 ZINC000001565243 371680645 /nfs/dbraw/zinc/68/06/45/371680645.db2.gz OJISRTSIAOBZGQ-BLLLJJGKSA-N 1 0 281.396 2.904 40 0 CFABRO COc1ccc2c(c1)C[C@H]1[NH2+]CCc3cc4c(c-2c31)OCO4 ZINC000000898806 371654373 /nfs/dbraw/zinc/65/43/73/371654373.db2.gz RFWCCZDSXIZJMF-CQSZACIVSA-N 1 0 295.338 2.834 40 0 biogenic,in-vitro CFABRO CCn1cc(C[NH2+]Cc2cccc(OC)c2)c(C)n1 ZINC000002536076 371734877 /nfs/dbraw/zinc/73/48/77/371734877.db2.gz GVKQZGVNECOEAV-UHFFFAOYSA-N 1 0 259.353 2.510 40 0 CFABRO CC[NH+](CC)CCS[C@@H]1OC(=O)c2ccccc21 ZINC000001566903 371681573 /nfs/dbraw/zinc/68/15/73/371681573.db2.gz XYXBEHJPBVFEKS-AWEZNQCLSA-N 1 0 265.378 2.931 40 0 CFABRO COc1cc(NCCC[C@H](C)[NH3+])c2ncccc2c1OC ZINC000001568083 371681627 /nfs/dbraw/zinc/68/16/27/371681627.db2.gz NKMGACBNLCCUES-NSHDSACASA-N 1 0 289.379 2.791 40 0 CFABRO COc1cc2c(cc1OCc1ccccc1)C[NH2+]CC2 ZINC000001629157 371689955 /nfs/dbraw/zinc/68/99/55/371689955.db2.gz JYFYNWZNMJYNEH-UHFFFAOYSA-N 1 0 269.344 2.920 40 0 CFABRO CCCCCOC(=O)c1ccc(NC(=O)C[NH2+]CC)cc1 ZINC000001671711 371695130 /nfs/dbraw/zinc/69/51/30/371695130.db2.gz RCZPDVKDZCDAJK-UHFFFAOYSA-N 1 0 292.379 2.582 40 0 CFABRO Cc1cccc(OC[C@@H](O)C[NH+]2CCC(C)CC2)c1C ZINC000004305020 371848974 /nfs/dbraw/zinc/84/89/74/371848974.db2.gz GGAGUBRWSUDTER-INIZCTEOSA-N 1 0 277.408 2.775 40 0 CFABRO CCC(CC)C(=O)NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2CC ZINC000008635813 371897855 /nfs/dbraw/zinc/89/78/55/371897855.db2.gz DZMBFUFMIDGEAW-SOUVJXGZSA-N 1 0 266.429 2.659 40 0 biogenic,in-vitro CFABRO COc1ccc([C@H]2[NH2+]CCc3ccccc32)cc1OC ZINC000011597215 371921771 /nfs/dbraw/zinc/92/17/71/371921771.db2.gz BUKCIQYLSXLYGW-QGZVFWFLSA-N 1 0 269.344 2.939 40 0 CFABRO Cc1ccccc1C(=O)NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000013425036 372026354 /nfs/dbraw/zinc/02/63/54/372026354.db2.gz BSPTUJWADWOYRC-WBVHZDCISA-N 1 0 286.419 2.989 40 0 CFABRO CCCCc1cc(OC)c(C[C@H](C)[NH3+])cc1OC ZINC000013450477 372028787 /nfs/dbraw/zinc/02/87/87/372028787.db2.gz NGVDYAULSQKEGW-NSHDSACASA-N 1 0 251.370 2.936 40 0 in-vitro CFABRO OCC[NH+](Cc1cccs1)Cc1cccs1 ZINC000013997390 372056820 /nfs/dbraw/zinc/05/68/20/372056820.db2.gz UZLGVJDFEIVEDP-UHFFFAOYSA-N 1 0 253.392 2.804 40 0 CFABRO c1ccc(C[NH2+]Cc2[nH]nnc2-c2ccccc2)cc1 ZINC000016480079 372106809 /nfs/dbraw/zinc/10/68/09/372106809.db2.gz FUAZLKXSJPPQMG-UHFFFAOYSA-N 1 0 264.332 2.762 40 0 CFABRO COC(=O)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000015423828 372084018 /nfs/dbraw/zinc/08/40/18/372084018.db2.gz LYEWRDPPJSCYQC-UHFFFAOYSA-N 1 0 265.328 2.601 40 0 CFABRO C[C@H]1CCCC[N@@H+]1Cc1ccnc(-c2ccncc2)n1 ZINC000019496386 372168392 /nfs/dbraw/zinc/16/83/92/372168392.db2.gz GOMYFQALSFXUTP-ZDUSSCGKSA-N 1 0 268.364 2.913 40 0 CFABRO CCC(=O)N1CCCC[C@H]2[NH2+]CC[C@H](c3ccccc3)[C@H]21 ZINC000019498868 372170459 /nfs/dbraw/zinc/17/04/59/372170459.db2.gz LZISYIOBEQNMTP-JFIYKMOQSA-N 1 0 286.419 2.923 40 0 CFABRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc2ccccc2n1 ZINC000019575770 372175639 /nfs/dbraw/zinc/17/56/39/372175639.db2.gz JFSAATSINZRPLA-YOEHRIQHSA-N 1 0 281.403 2.903 40 0 CFABRO C[NH+](C)CCN(Cc1ccsc1)Cc1ccncc1 ZINC000019582723 372176426 /nfs/dbraw/zinc/17/64/26/372176426.db2.gz ALQSHLWEKPRECV-UHFFFAOYSA-N 1 0 275.421 2.707 40 0 CFABRO C1=C[C@H]2C[C@@H]1C[C@@H]2C[NH+]1CCN(C2CCCC2)CC1 ZINC000019790024 372188107 /nfs/dbraw/zinc/18/81/07/372188107.db2.gz WWMADOQKXVKTKF-OWCLPIDISA-N 1 0 260.425 2.759 40 0 CFABRO C[C@@H]1Cc2cc(CN(C)CC[NH+]3CCCCC3)ccc2O1 ZINC000023247819 372255608 /nfs/dbraw/zinc/25/56/08/372255608.db2.gz GATDKCNJVQGLMP-OAHLLOKOSA-N 1 0 288.435 2.928 40 0 CFABRO C[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccccc1Cl ZINC000026919744 372330669 /nfs/dbraw/zinc/33/06/69/372330669.db2.gz UKYJCOVBHITCED-QWHCGFSZSA-N 1 0 283.799 2.954 40 0 CFABRO c1nc2ccccn2c1-c1cccc(NC2CC[NH2+]CC2)n1 ZINC000029045411 372372351 /nfs/dbraw/zinc/37/23/51/372372351.db2.gz HUYUPQNBDBTPQQ-UHFFFAOYSA-N 1 0 293.374 2.560 40 0 CFABRO Fc1cccc(Cl)c1COCC1CC[NH2+]CC1 ZINC000028522013 372366184 /nfs/dbraw/zinc/36/61/84/372366184.db2.gz JJYDFUGKZXXVQG-UHFFFAOYSA-N 1 0 257.736 2.995 40 0 CFABRO COC(=O)C[C@@H]([NH3+])c1cccc(OCc2ccccc2)c1 ZINC000032500957 372441610 /nfs/dbraw/zinc/44/16/10/372441610.db2.gz YYTAWEKBLQTBNP-MRXNPFEDSA-N 1 0 285.343 2.829 40 0 CFABRO C[C@@H]1[C@@H]([NH3+])CN1C(c1ccccc1)c1ccccc1 ZINC000034384361 372508077 /nfs/dbraw/zinc/50/80/77/372508077.db2.gz CJCQBRZYAQTEOO-CJNGLKHVSA-N 1 0 252.361 2.807 40 0 CFABRO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@H](O)COc1ccc(F)cc1 ZINC000035031481 372532275 /nfs/dbraw/zinc/53/22/75/372532275.db2.gz CEASHOGVRDNAAP-GUTXKFCHSA-N 1 0 281.371 2.828 40 0 CFABRO C[NH+](C)C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000036631471 372584091 /nfs/dbraw/zinc/58/40/91/372584091.db2.gz MVBSCHOLWMUJFM-INIZCTEOSA-N 1 0 271.360 2.655 40 0 CFABRO Cc1ccc(NC(=O)COc2cccc(C[NH3+])c2)c(C)c1 ZINC000036720734 372587263 /nfs/dbraw/zinc/58/72/63/372587263.db2.gz RITSTEFCODLQAY-UHFFFAOYSA-N 1 0 284.359 2.780 40 0 CFABRO C[C@@H](C[NH2+]Cc1cccs1)C(=O)OC(C)(C)C ZINC000047219114 373083975 /nfs/dbraw/zinc/08/39/75/373083975.db2.gz MROWJAXUIUAUGO-JTQLQIEISA-N 1 0 255.383 2.816 40 0 CFABRO c1coc(-c2nnc([C@H]3CC[N@@H+](Cc4cccnc4)C3)o2)c1 ZINC000049169516 373272972 /nfs/dbraw/zinc/27/29/72/373272972.db2.gz VCXYQGCXWBEGKZ-ZDUSSCGKSA-N 1 0 296.330 2.714 40 0 biogenic,in-vitro CFABRO C[C@@H]([NH2+]Cc1ccc(F)cc1)C(=O)N1CCC(C)CC1 ZINC000057467038 373594275 /nfs/dbraw/zinc/59/42/75/373594275.db2.gz ZTKSEOTWGRYXOD-CYBMUJFWSA-N 1 0 278.371 2.562 40 0 CFABRO CC(C)[C@H]([NH3+])C(=O)NCc1ccc(Cl)cc1Cl ZINC000057571371 373599305 /nfs/dbraw/zinc/59/93/05/373599305.db2.gz GBYGVOFSWPXYRD-NSHDSACASA-N 1 0 275.179 2.593 40 0 CFABRO Cn1cc(C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)cn1 ZINC000057605205 373601276 /nfs/dbraw/zinc/60/12/76/373601276.db2.gz IMEQMPWUCXQWFC-KRWDZBQOSA-N 1 0 285.391 2.601 40 0 CFABRO CC[NH+]1CCC2(CC1)NCCc1c3ccccc3[nH]c12 ZINC000072397401 374248890 /nfs/dbraw/zinc/24/88/90/374248890.db2.gz BVHRJNISQQEUBL-UHFFFAOYSA-N 1 0 269.392 2.625 40 0 CFABRO Cc1ccc([C@H](C)NC(=O)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000072880735 374298033 /nfs/dbraw/zinc/29/80/33/374298033.db2.gz LVZXCRFWJHFQJP-ZFWWWQNUSA-N 1 0 260.381 2.514 40 0 CFABRO Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000072880732 374298049 /nfs/dbraw/zinc/29/80/49/374298049.db2.gz LVZXCRFWJHFQJP-UKRRQHHQSA-N 1 0 260.381 2.514 40 0 CFABRO C[NH+]1CCC(O)(c2cc(Cl)cc(Cl)c2)CC1 ZINC000079030404 374583998 /nfs/dbraw/zinc/58/39/98/374583998.db2.gz HWBHOCMSIPAXEL-UHFFFAOYSA-N 1 0 260.164 2.907 40 0 CFABRO CC(C)[N@H+](CCO)C[C@H]1CCCN(Cc2ccccc2)C1 ZINC000079393533 374607003 /nfs/dbraw/zinc/60/70/03/374607003.db2.gz IOEKAVMAASXWBQ-SFHVURJKSA-N 1 0 290.451 2.601 40 0 CFABRO CC(C)[C@H]([NH3+])C(=O)N(Cc1cccc(F)c1)C(C)C ZINC000079420626 374609446 /nfs/dbraw/zinc/60/94/46/374609446.db2.gz FRVNRTFVUSEMLF-AWEZNQCLSA-N 1 0 266.360 2.546 40 0 CFABRO CCN(C[C@@H]1CCCC[NH2+]1)C(=O)OCc1ccccc1 ZINC000079437794 374611769 /nfs/dbraw/zinc/61/17/69/374611769.db2.gz GSDGMRHOGWHLDK-HNNXBMFYSA-N 1 0 276.380 2.787 40 0 CFABRO CC[NH2+]C[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079437180 374612391 /nfs/dbraw/zinc/61/23/91/374612391.db2.gz FXHCLJQYVJFUPU-OAHLLOKOSA-N 1 0 276.380 2.645 40 0 CFABRO CC(C)(C)OC(=O)N(C[C@H]1CCCC[NH2+]1)C1CC1 ZINC000079437703 374612548 /nfs/dbraw/zinc/61/25/48/374612548.db2.gz VZWZMTQGRGMWAN-LLVKDONJSA-N 1 0 254.374 2.528 40 0 CFABRO C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000082332600 374737637 /nfs/dbraw/zinc/73/76/37/374737637.db2.gz GXNCXRIOHPCFRG-SNVBAGLBSA-N 1 0 286.297 2.986 40 0 CFABRO CN(C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](CC3CC3)C[C@@H]21 ZINC000096058315 375468019 /nfs/dbraw/zinc/46/80/19/375468019.db2.gz USNSOQNOYAKTBZ-ULQDDVLXSA-N 1 0 256.393 2.728 40 0 CFABRO CC(C)(C)OC(=O)N1CCC([NH3+])(CC2CCC2)CC1 ZINC000255188487 189996367 /nfs/dbraw/zinc/99/63/67/189996367.db2.gz KELMMKCLUSTVGT-UHFFFAOYSA-N 1 0 268.401 2.905 40 0 CFABRO Cc1ccc(C[N@H+]2C[C@H]3CN(C(=O)C4CCC4)C[C@H]3C2)cc1 ZINC000096161742 375471548 /nfs/dbraw/zinc/47/15/48/375471548.db2.gz QQMVGIMNEYTYFU-HDICACEKSA-N 1 0 298.430 2.685 40 0 CFABRO c1csc(C[N@H+]2CC[C@H]3[C@H]2CCN3Cc2cccnc2)c1 ZINC000096184637 375475102 /nfs/dbraw/zinc/47/51/02/375475102.db2.gz RBXJIAVWEFDIFQ-DLBZAZTESA-N 1 0 299.443 2.992 40 0 CFABRO CO[C@@H]1CC[N@H+](Cc2nccs2)[C@H]1Cc1ccccc1 ZINC000096200055 375477739 /nfs/dbraw/zinc/47/77/39/375477739.db2.gz KOMBJEOJWYDIRC-LSDHHAIUSA-N 1 0 288.416 2.975 40 0 CFABRO c1cnc(N2CCC[C@]3(CC[N@@H+](CC4CCC4)C3)C2)nc1 ZINC000096216941 375479279 /nfs/dbraw/zinc/47/92/79/375479279.db2.gz QRAPNJXEBBIZTA-QGZVFWFLSA-N 1 0 286.423 2.569 40 0 CFABRO CC(=O)N1CCC2(C[C@H]([NH+](C)C)c3cc(C)ccc32)CC1 ZINC000096241772 375481511 /nfs/dbraw/zinc/48/15/11/375481511.db2.gz LIEFAKNIYUFSGE-KRWDZBQOSA-N 1 0 286.419 2.882 40 0 CFABRO O=C1C[C@@]2(CC[N@H+](CC3CC3)C2)CN1c1ccsc1 ZINC000096239274 375481614 /nfs/dbraw/zinc/48/16/14/375481614.db2.gz IVZHCDYIPRBIPH-OAHLLOKOSA-N 1 0 276.405 2.587 40 0 CFABRO c1coc(CN2C[C@@H]3CC[N@H+](Cc4ccco4)[C@@H]3C2)c1 ZINC000096246072 375482015 /nfs/dbraw/zinc/48/20/15/375482015.db2.gz VNCRKFGFDGZGHP-XJKSGUPXSA-N 1 0 272.348 2.579 40 0 CFABRO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@@H+](C(C)C)C[C@@H]12 ZINC000096251846 375482388 /nfs/dbraw/zinc/48/23/88/375482388.db2.gz NPAMZSABRLNJPF-MSOLQXFVSA-N 1 0 286.419 2.659 40 0 CFABRO CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+]C2CCC2)CC1 ZINC000100809751 375628403 /nfs/dbraw/zinc/62/84/03/375628403.db2.gz IYELSBCLVPTISK-BETUJISGSA-N 1 0 268.401 2.964 40 0 CFABRO CC[NH+](CC)CCNCc1cn(C2CCCC2)nc1C ZINC000256050259 190003013 /nfs/dbraw/zinc/00/30/13/190003013.db2.gz DIQLPPJMJLEKLS-UHFFFAOYSA-N 1 0 278.444 2.738 40 0 CFABRO CCCn1cc(C[NH2+]Cc2cc(C)nn2CCC)c(C)n1 ZINC000256049966 190003069 /nfs/dbraw/zinc/00/30/69/190003069.db2.gz CCIDHRDMLCWKSN-UHFFFAOYSA-N 1 0 289.427 2.806 40 0 CFABRO CCCn1nc(C)cc1C[NH2+]CCc1cccc(OC)c1 ZINC000256051010 190003875 /nfs/dbraw/zinc/00/38/75/190003875.db2.gz HJIHAYDCXIQZLI-UHFFFAOYSA-N 1 0 287.407 2.942 40 0 CFABRO COc1ccccc1C[NH2+]Cc1cnn(CC(C)C)c1 ZINC000256053549 190004642 /nfs/dbraw/zinc/00/46/42/190004642.db2.gz RWUNDVLDIRASOO-UHFFFAOYSA-N 1 0 273.380 2.838 40 0 CFABRO C[N@@H+]1CCC[C@@H](Cc2cnc(Br)cn2)CC1 ZINC000257197805 190009835 /nfs/dbraw/zinc/00/98/35/190009835.db2.gz JSEFSYNKRKUMOA-SNVBAGLBSA-N 1 0 284.201 2.514 40 0 CFABRO CCCn1cc(C[NH2+]Cc2cnn(C(C)C)c2)c(C)n1 ZINC000256054765 190005562 /nfs/dbraw/zinc/00/55/62/190005562.db2.gz XQHMUGMGHYFKFG-UHFFFAOYSA-N 1 0 275.400 2.669 40 0 CFABRO Cc1nn(C2CCCC2)cc1C[NH2+]Cc1cnn(C)c1C ZINC000256054504 190005719 /nfs/dbraw/zinc/00/57/19/190005719.db2.gz WPNXGUOWBVLIPX-UHFFFAOYSA-N 1 0 287.411 2.638 40 0 CFABRO Fc1cccc(Oc2nccnc2[C@@H]2CCC[NH2+]C2)c1 ZINC000257198183 190010628 /nfs/dbraw/zinc/01/06/28/190010628.db2.gz VKFBDUYAEFLRSX-LLVKDONJSA-N 1 0 273.311 2.875 40 0 CFABRO CN1C(=O)CCC[C@H]2C[N@@H+](Cc3ccsc3)CC[C@H]21 ZINC000257203407 190011171 /nfs/dbraw/zinc/01/11/71/190011171.db2.gz APXFCCXWGSFXMR-UONOGXRCSA-N 1 0 278.421 2.581 40 0 CFABRO CC(C)n1nccc1-c1cnc([C@H]2CCC[N@H+](C)C2)cn1 ZINC000257203089 190011873 /nfs/dbraw/zinc/01/18/73/190011873.db2.gz AOQLESJILYYMCB-ZDUSSCGKSA-N 1 0 285.395 2.730 40 0 CFABRO c1ncc(C[N@H+]2CCC[C@H](Cc3cccnc3)C2)s1 ZINC000257227321 190015402 /nfs/dbraw/zinc/01/54/02/190015402.db2.gz FOSIBNJSSOBLNO-CQSZACIVSA-N 1 0 273.405 2.993 40 0 CFABRO c1ccc(C[C@H]2CC3(C[NH+](Cc4ccncc4)C3)CO2)cc1 ZINC000257224089 190015617 /nfs/dbraw/zinc/01/56/17/190015617.db2.gz FAFSSUDXBOKJFY-SFHVURJKSA-N 1 0 294.398 2.915 40 0 CFABRO Cc1nccc([C@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000257230117 190016565 /nfs/dbraw/zinc/01/65/65/190016565.db2.gz GAWYJQZJCPODTC-HNNXBMFYSA-N 1 0 268.364 2.560 40 0 CFABRO CO[C@H]1CC[N@H+](Cc2ccc(C)cc2)C[C@@]12CCCO2 ZINC000257223323 190014437 /nfs/dbraw/zinc/01/44/37/190014437.db2.gz DWVSCUSTVQMEQQ-IRXDYDNUSA-N 1 0 275.392 2.765 40 0 CFABRO Cc1nc(Cc2ccc(F)cc2)cc(C2CC[NH2+]CC2)n1 ZINC000257248139 190019837 /nfs/dbraw/zinc/01/98/37/190019837.db2.gz JCGLCMJKOWFCIO-UHFFFAOYSA-N 1 0 285.366 2.982 40 0 CFABRO c1ccc(Nc2cccc([C@H]3CCC[NH2+]C3)n2)nc1 ZINC000257251527 190020049 /nfs/dbraw/zinc/02/00/49/190020049.db2.gz JRCSUMWHSCPIQJ-LBPRGKRZSA-N 1 0 254.337 2.687 40 0 CFABRO Cc1cnc(C2(C)CC[NH+]([C@@H]3CCOC3)CC2)s1 ZINC000257251825 190020159 /nfs/dbraw/zinc/02/01/59/190020159.db2.gz JSKHYAQRKPSUOE-GFCCVEGCSA-N 1 0 266.410 2.594 40 0 CFABRO C[NH+](C)CC[C@H]1CCCCN1C(=O)Cc1ccccc1 ZINC000257256245 190021786 /nfs/dbraw/zinc/02/17/86/190021786.db2.gz KKQVGVIFLSDVTP-MRXNPFEDSA-N 1 0 274.408 2.562 40 0 CFABRO Cc1cnccc1C[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000257261770 190022028 /nfs/dbraw/zinc/02/20/28/190022028.db2.gz LISJXHZTSOKLIN-HNNXBMFYSA-N 1 0 268.364 2.560 40 0 CFABRO Cc1nccc(C[N@@H+]2CCC[C@H](c3nccs3)C2)n1 ZINC000257263124 190022131 /nfs/dbraw/zinc/02/21/31/190022131.db2.gz LONKPNPGLJOJII-LBPRGKRZSA-N 1 0 274.393 2.621 40 0 CFABRO Fc1cccc(C[N@@H+]2CCC[C@@H](c3ccncn3)C2)c1 ZINC000257261351 190022182 /nfs/dbraw/zinc/02/21/82/190022182.db2.gz LGYTULICYDHXKM-CQSZACIVSA-N 1 0 271.339 2.995 40 0 CFABRO CCn1cc(-c2cnc([C@@H]3CCC[N@@H+](C(C)C)C3)cn2)cn1 ZINC000257263428 190022402 /nfs/dbraw/zinc/02/24/02/190022402.db2.gz LPWXKVQZIVDCCX-CQSZACIVSA-N 1 0 299.422 2.948 40 0 CFABRO Cc1nccc([C@H]2C[N@@H+](C3CCCCCC3)CCO2)n1 ZINC000257284081 190026451 /nfs/dbraw/zinc/02/64/51/190026451.db2.gz PBEFUXQRPBFSCL-MRXNPFEDSA-N 1 0 275.396 2.881 40 0 CFABRO CCCn1nccc1-c1cncc(C[C@H]2CCC[N@H+](C)C2)n1 ZINC000257286607 190026790 /nfs/dbraw/zinc/02/67/90/190026790.db2.gz PMFLYXUQUOARKK-CQSZACIVSA-N 1 0 299.422 2.634 40 0 CFABRO CCCn1nccc1-c1cc([C@H]2CCC[NH2+]C2)ccn1 ZINC000257291530 190027433 /nfs/dbraw/zinc/02/74/33/190027433.db2.gz QHJOUGHYGCEAJG-AWEZNQCLSA-N 1 0 270.380 2.822 40 0 CFABRO CN1CCC([N@@H+]2CCC[C@@H]2CCc2ccncc2)CC1 ZINC000257269124 190024269 /nfs/dbraw/zinc/02/42/69/190024269.db2.gz MORBFJPBLUNIBE-MRXNPFEDSA-N 1 0 273.424 2.573 40 0 CFABRO Cc1cc(-c2nccnc2C[C@@H]2CCC[N@@H+](C(C)C)C2)n[nH]1 ZINC000257273195 190024448 /nfs/dbraw/zinc/02/44/48/190024448.db2.gz NFPXYBLOKYBVOG-AWEZNQCLSA-N 1 0 299.422 2.838 40 0 CFABRO C[N@@H+]1CCC[C@H](c2cccc(N3C(=O)OCC3(C)C)n2)C1 ZINC000257274265 190024608 /nfs/dbraw/zinc/02/46/08/190024608.db2.gz NKGKWYPMGTWBGZ-LBPRGKRZSA-N 1 0 289.379 2.626 40 0 CFABRO Cc1ncsc1C[N@@H+]1CC[C@@H](c2nc(C)cc(C)n2)C1 ZINC000257292843 190028031 /nfs/dbraw/zinc/02/80/31/190028031.db2.gz QNECJCRMIGUYHG-CYBMUJFWSA-N 1 0 288.420 2.848 40 0 CFABRO c1cc(CC[C@@H]2CCC[N@@H+]2C2CCOCC2)ccn1 ZINC000257293785 190028252 /nfs/dbraw/zinc/02/82/52/190028252.db2.gz QREDPSHDLTUJJH-HNNXBMFYSA-N 1 0 260.381 2.658 40 0 CFABRO Cc1cc(-c2ccnn2C)nc(C2CC[NH+](C(C)C)CC2)n1 ZINC000257297584 190028932 /nfs/dbraw/zinc/02/89/32/190028932.db2.gz RHYHAXCZVMYJIS-UHFFFAOYSA-N 1 0 299.422 2.773 40 0 CFABRO Cc1c[nH]c([C@@H]2CCC[N@H+](Cc3cccc(C)n3)C2)n1 ZINC000257309649 190031367 /nfs/dbraw/zinc/03/13/67/190031367.db2.gz UBUSZNLIZONGIQ-CQSZACIVSA-N 1 0 270.380 2.801 40 0 CFABRO C[N@@H+]1CCC[C@H]1c1cccc(N2C(=O)OCC2(C)C)n1 ZINC000257311987 190031963 /nfs/dbraw/zinc/03/19/63/190031963.db2.gz ULXGWTVFCIZZGW-LBPRGKRZSA-N 1 0 275.352 2.584 40 0 CFABRO CCCn1nccc1-c1cncc(C2CC[NH+](C)CC2)n1 ZINC000257327265 190034775 /nfs/dbraw/zinc/03/47/75/190034775.db2.gz XASHJXFFVKSMOD-UHFFFAOYSA-N 1 0 285.395 2.559 40 0 CFABRO Cc1cccc(Nc2cncc([C@@H]3CCC[N@@H+](C)C3)n2)n1 ZINC000257328823 190034932 /nfs/dbraw/zinc/03/49/32/190034932.db2.gz XHFXPNITPWKAPC-CYBMUJFWSA-N 1 0 283.379 2.733 40 0 CFABRO Cc1cnc(-c2cc(C)nc([C@H]3CCC[NH2+]C3)n2)s1 ZINC000257326683 190035015 /nfs/dbraw/zinc/03/50/15/190035015.db2.gz WYERVJLFAJGEKZ-NSHDSACASA-N 1 0 274.393 2.684 40 0 CFABRO CC(C)[NH+]1CCC(Cc2cnc(-c3cc[nH]n3)cn2)CC1 ZINC000257329661 190035172 /nfs/dbraw/zinc/03/51/72/190035172.db2.gz XKXJZILKBLBWRQ-UHFFFAOYSA-N 1 0 285.395 2.530 40 0 CFABRO Cc1cc(CC[C@H]2CCC[N@H+]2Cc2nccn2C)ccn1 ZINC000257336457 190036521 /nfs/dbraw/zinc/03/65/21/190036521.db2.gz YOMWYRDZJXDCDO-MRXNPFEDSA-N 1 0 284.407 2.721 40 0 CFABRO Cc1nc(-c2ccnn2C)cc(C2CC[NH+](C(C)C)CC2)n1 ZINC000257340248 190036900 /nfs/dbraw/zinc/03/69/00/190036900.db2.gz ZFEQHSSVAYSFCD-UHFFFAOYSA-N 1 0 299.422 2.773 40 0 CFABRO [NH3+]C[C@@H](c1ccccc1C(F)(F)F)N1CCCC1 ZINC000022176271 295244220 /nfs/dbraw/zinc/24/42/20/295244220.db2.gz XWYMLVUZHUASIB-LBPRGKRZSA-N 1 0 258.287 2.801 40 0 CFABRO Cc1nc(CN2CC[C@@H]3[C@H]2CC[N@@H+]3CC2CC2)cs1 ZINC000306139735 382453131 /nfs/dbraw/zinc/45/31/31/382453131.db2.gz TYVSDYQYCMVIRR-HUUCEWRRSA-N 1 0 277.437 2.510 40 0 CFABRO CC(C)(C)OC(=O)NC[C@@H]1C[NH2+][C@@H]2CCCC[C@@H]2C1 ZINC000216595300 382784134 /nfs/dbraw/zinc/78/41/34/382784134.db2.gz NEEFKHAZNNIJIV-YNEHKIRRSA-N 1 0 268.401 2.679 40 0 CFABRO [NH3+][C@H]1CCC[C@@H]1Nc1ccc(Br)cc1 ZINC000218681494 382790728 /nfs/dbraw/zinc/79/07/28/382790728.db2.gz DWASZSUOYFWDHH-QWRGUYRKSA-N 1 0 255.159 2.741 40 0 CFABRO CC(=O)O[C@H]1[C@@H]2CCC[C@H]1CC[C@H]2[NH+]1CCCCC1 ZINC000000517734 169660543 /nfs/dbraw/zinc/66/05/43/169660543.db2.gz KSJDJOYKEJTGAN-ZJIFWQFVSA-N 1 0 265.397 2.983 40 0 CFABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)C1CCCC1 ZINC000223532719 382805959 /nfs/dbraw/zinc/80/59/59/382805959.db2.gz WSEAOXNYJUYCQM-HNNXBMFYSA-N 1 0 266.429 2.947 40 0 CFABRO COCC[NH2+]Cc1cccn1-c1cccc(C)c1C ZINC000223680609 382806394 /nfs/dbraw/zinc/80/63/94/382806394.db2.gz YKCZUWNHGHRMSH-UHFFFAOYSA-N 1 0 258.365 2.830 40 0 CFABRO Fc1cccc(F)c1NC(=S)NCCC[NH+]1CCCC1 ZINC000225433698 382815928 /nfs/dbraw/zinc/81/59/28/382815928.db2.gz SYHDQVHHVHAFAT-UHFFFAOYSA-N 1 0 299.390 2.737 40 0 CFABRO O=C(Cc1ccc(Cl)cc1F)NCCC[NH+]1CCCC1 ZINC000225597296 382819022 /nfs/dbraw/zinc/81/90/22/382819022.db2.gz MRDWSZMFRTXRPZ-UHFFFAOYSA-N 1 0 298.789 2.624 40 0 CFABRO CCCn1nccc1C[NH2+]CCc1cccc(OC)c1 ZINC000233407555 382871422 /nfs/dbraw/zinc/87/14/22/382871422.db2.gz NGSRXVMMEYQFEF-UHFFFAOYSA-N 1 0 273.380 2.634 40 0 CFABRO COc1ccc([C@H](C)N2CC[NH2+][C@H]3CCCC[C@H]32)cc1 ZINC000242547823 382986559 /nfs/dbraw/zinc/98/65/59/382986559.db2.gz KUSCMGFHXLDZSL-RRQGHBQHSA-N 1 0 274.408 2.973 40 0 CFABRO CN1CC[C@@]2(c3ccccc3)CC[N@H+](CC3CC3)C[C@@H]12 ZINC000248141294 383213817 /nfs/dbraw/zinc/21/38/17/383213817.db2.gz QHECJBFSKYLWJM-MSOLQXFVSA-N 1 0 270.420 2.744 40 0 CFABRO c1cc2n(c1)C[C@@H](Oc1cccnc1)C[N@@H+](CC1CC1)C2 ZINC000253588753 383463925 /nfs/dbraw/zinc/46/39/25/383463925.db2.gz QTHVYINPHYCHJV-KRWDZBQOSA-N 1 0 283.375 2.556 40 0 CFABRO CCCNC(=O)Oc1c(C)cc(C)cc1C[NH+](C)C ZINC000255187864 383477642 /nfs/dbraw/zinc/47/76/42/383477642.db2.gz HGFXXUSLXKTCKQ-UHFFFAOYSA-N 1 0 264.369 2.863 40 0 CFABRO CC(=O)N1CCCC[C@H]2[C@H]1C[C@@H](c1ccccc1)[N@@H+]2C ZINC000257279672 383494679 /nfs/dbraw/zinc/49/46/79/383494679.db2.gz OHROOSCKCOJXQY-YESZJQIVSA-N 1 0 272.392 2.833 40 0 CFABRO C[C@@H]1C[NH2+]C[C@@H](C)N1c1cccc(C(F)(F)F)c1 ZINC000062710145 393626430 /nfs/dbraw/zinc/62/64/30/393626430.db2.gz BXEPSQKSMVSAIB-NXEZZACHSA-N 1 0 258.287 2.892 40 0 CFABRO CSc1ncc(C[NH2+]Cc2cccs2)cn1 ZINC000062717212 393627179 /nfs/dbraw/zinc/62/71/79/393627179.db2.gz ZJXFMUZTYHDIHT-UHFFFAOYSA-N 1 0 251.380 2.550 40 0 CFABRO COc1ccccc1CC[NH2+]Cc1cnc(SC)nc1 ZINC000062717248 393627257 /nfs/dbraw/zinc/62/72/57/393627257.db2.gz KIBSUGSJOZLLBY-UHFFFAOYSA-N 1 0 289.404 2.539 40 0 CFABRO CNc1ncc(C[NH2+]C(C)(C)CC(C)(C)C)cn1 ZINC000062717467 393627442 /nfs/dbraw/zinc/62/74/42/393627442.db2.gz LXQCCCOIBIVUHD-UHFFFAOYSA-N 1 0 250.390 2.823 40 0 CFABRO Cc1cc(N2CCc3ccccc3C2)ncc1[C@@H](C)[NH3+] ZINC000072223895 393647882 /nfs/dbraw/zinc/64/78/82/393647882.db2.gz UGLGDLLWTSMBTB-CYBMUJFWSA-N 1 0 267.376 2.972 40 0 CFABRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CC1=Cc2ccccc2OC1 ZINC000072324515 393650287 /nfs/dbraw/zinc/65/02/87/393650287.db2.gz RARMCYJKNMCIKH-YOEHRIQHSA-N 1 0 284.403 2.631 40 0 CFABRO Cc1cc(Nc2cccc([C@@H]3CCC[N@H+]3C)n2)no1 ZINC000072375107 393650402 /nfs/dbraw/zinc/65/04/02/393650402.db2.gz OMGDVPIBTNRZKP-LBPRGKRZSA-N 1 0 258.325 2.888 40 0 CFABRO [NH3+][C@H]1CCN(c2cc(-c3ccccc3)nc(C3CC3)n2)C1 ZINC000096516999 393836390 /nfs/dbraw/zinc/83/63/90/393836390.db2.gz PZUJHMQUDLXNLZ-AWEZNQCLSA-N 1 0 280.375 2.558 40 0 CFABRO C(OC[C@]12CCCO[C@@H]1CC[N@H+](CC1CC1)C2)C1CC1 ZINC000107752040 393870960 /nfs/dbraw/zinc/87/09/60/393870960.db2.gz WSYAFLMYEMLSBV-IAGOWNOFSA-N 1 0 279.424 2.694 40 0 CFABRO CC[C@H](OC[C@@H](O)C[NH2+]C(C)(C)C)c1ccccc1 ZINC000002694595 169820783 /nfs/dbraw/zinc/82/07/83/169820783.db2.gz YPOIOMRSTNTUEO-GJZGRUSLSA-N 1 0 265.397 2.903 40 0 CFABRO CC[NH+](CC)CCS[C@H]1OC(=O)c2ccccc21 ZINC000004691870 169999719 /nfs/dbraw/zinc/99/97/19/169999719.db2.gz XYXBEHJPBVFEKS-CQSZACIVSA-N 1 0 265.378 2.931 40 0 CFABRO COc1ccc2c3c1O[C@@H]1C(C)=CC[C@@H]4[C@H](C2)[N@@H+](C)CC[C@@]314 ZINC000004972549 170047446 /nfs/dbraw/zinc/04/74/46/170047446.db2.gz NNYZBNCSKHLPBE-GTYSZEQSSA-N 1 0 297.398 2.920 40 0 CFABRO O=C(c1cccc(C(F)(F)F)c1)C1CC[NH2+]CC1 ZINC000008699548 170346293 /nfs/dbraw/zinc/34/62/93/170346293.db2.gz RCYQTTNQDIKOBZ-UHFFFAOYSA-N 1 0 257.255 2.888 40 0 in-vitro CFABRO C[NH+](C)CCNC(=O)/C(=C/c1ccccc1)c1ccccc1 ZINC000010111507 170397745 /nfs/dbraw/zinc/39/77/45/170397745.db2.gz MUKFTMGFPOKNKY-OBGWFSINSA-N 1 0 294.398 2.905 40 0 CFABRO O=C(NCC[C@H](c1ccco1)c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000012181869 170471887 /nfs/dbraw/zinc/47/18/87/170471887.db2.gz SGBSNYIIOCOZHR-JKSUJKDBSA-N 1 0 298.386 2.670 40 0 CFABRO C[C@@H]([NH3+])c1ccc(C(=O)Nc2ccnc3[nH]ccc32)cc1 ZINC000013907839 170607311 /nfs/dbraw/zinc/60/73/11/170607311.db2.gz JTVBXQAYBIJXRP-SNVBAGLBSA-N 1 0 280.331 2.835 40 0 in-man CFABRO Clc1cccc(Cl)c1CN1CCC[NH2+]CC1 ZINC000020286613 171133492 /nfs/dbraw/zinc/13/34/92/171133492.db2.gz SDUKXBQQWGPGMG-UHFFFAOYSA-N 1 0 259.180 2.789 40 0 CFABRO O=C(OCc1ccccc1)N1CC[NH2+][C@@H]2CCCC[C@H]21 ZINC000022015686 171349755 /nfs/dbraw/zinc/34/97/55/171349755.db2.gz GZTLXXIGRCPQDZ-HUUCEWRRSA-N 1 0 274.364 2.540 40 0 CFABRO CCOc1cccc(C[NH2+]CCN(CC)CC)c1 ZINC000022075990 171352071 /nfs/dbraw/zinc/35/20/71/171352071.db2.gz SSBPVOWTUJPHIY-UHFFFAOYSA-N 1 0 250.386 2.517 40 0 CFABRO C[C@H]1CCCN([C@@H](C[NH3+])c2ccc(F)cc2F)C1 ZINC000022170808 171367815 /nfs/dbraw/zinc/36/78/15/171367815.db2.gz ZERAQKLSEVJDKP-HZMBPMFUSA-N 1 0 254.324 2.697 40 0 CFABRO CCOc1ccccc1[C@@H](C[NH3+])N1CCC[C@@H](C)C1 ZINC000022211911 171373842 /nfs/dbraw/zinc/37/38/42/171373842.db2.gz BIRDXGURJZQORM-UKRRQHHQSA-N 1 0 262.397 2.817 40 0 CFABRO COc1cc2ccccc2cc1C(=O)NC1CC[NH+](C)CC1 ZINC000023421683 171421712 /nfs/dbraw/zinc/42/17/12/171421712.db2.gz VOHNGTQRBGAGEZ-UHFFFAOYSA-N 1 0 298.386 2.672 40 0 CFABRO CCCn1c2ccc(Cl)cc2nc1CCC[NH3+] ZINC000037440570 173210179 /nfs/dbraw/zinc/21/01/79/173210179.db2.gz CCTIRHRWQRMRRE-UHFFFAOYSA-N 1 0 251.761 2.991 40 0 CFABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NC3CC3)cc2)C1 ZINC000038772588 174154619 /nfs/dbraw/zinc/15/46/19/174154619.db2.gz BQVZVXPPRZUGLR-CYBMUJFWSA-N 1 0 272.392 2.811 40 0 CFABRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]Cc2ccccn2)C1 ZINC000043324325 175006416 /nfs/dbraw/zinc/00/64/16/175006416.db2.gz LRSLPXWROXDKQD-CQSZACIVSA-N 1 0 291.395 2.571 40 0 CFABRO C[C@@H]1C[NH2+]CCN1C(=O)c1ccc(-c2ccccc2)cc1 ZINC000071978925 176307831 /nfs/dbraw/zinc/30/78/31/176307831.db2.gz IQOAXPHLAHQTIB-CQSZACIVSA-N 1 0 280.371 2.788 40 0 CFABRO C[C@H]1CN(Cc2c(Cl)cccc2Cl)CC[NH2+]1 ZINC000072203613 176341494 /nfs/dbraw/zinc/34/14/94/176341494.db2.gz UIEKZCFOHJLDJN-VIFPVBQESA-N 1 0 259.180 2.787 40 0 CFABRO Ic1ccccc1C[NH+]1CCCC1 ZINC000072226033 176343379 /nfs/dbraw/zinc/34/33/79/176343379.db2.gz WGJITBHZDTYAFB-UHFFFAOYSA-N 1 0 287.144 2.887 40 0 CFABRO Fc1cccc(CNc2cnc(C3CC[NH2+]CC3)cn2)c1 ZINC000072365079 176380198 /nfs/dbraw/zinc/38/01/98/176380198.db2.gz SCDUYGQWGQFQAE-UHFFFAOYSA-N 1 0 286.354 2.695 40 0 CFABRO O=C(Nc1ccc(F)cc1)c1cccc([C@H]2CCC[NH2+]2)n1 ZINC000072365612 176380820 /nfs/dbraw/zinc/38/08/20/176380820.db2.gz GXXXTXAMYGKEOL-CYBMUJFWSA-N 1 0 285.322 2.898 40 0 CFABRO c1cn2c(n1)nccc2[C@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000072367944 176382440 /nfs/dbraw/zinc/38/24/40/176382440.db2.gz LXAVOKATFPROSI-HNNXBMFYSA-N 1 0 293.374 2.504 40 0 CFABRO Cc1cc(Nc2ncccn2)nc([C@@H]2CCC[N@H+]2C(C)C)n1 ZINC000072382385 176388346 /nfs/dbraw/zinc/38/83/46/176388346.db2.gz HHAUJRQBLKKEJH-ZDUSSCGKSA-N 1 0 298.394 2.864 40 0 CFABRO COc1ccc(C[NH+]2CCC(c3cnccn3)CC2)cc1 ZINC000072384980 176388571 /nfs/dbraw/zinc/38/85/71/176388571.db2.gz KNZNGCLSFBVBJP-UHFFFAOYSA-N 1 0 283.375 2.865 40 0 CFABRO c1ccc(OCC[NH+]2CCC(c3cnccn3)CC2)cc1 ZINC000072385395 176390043 /nfs/dbraw/zinc/39/00/43/176390043.db2.gz IPCSCSIODCCYOH-UHFFFAOYSA-N 1 0 283.375 2.735 40 0 CFABRO CN(C)c1nc2ccccc2cc1C[N@@H+]1CCC[C@H](CO)C1 ZINC000072397806 176395360 /nfs/dbraw/zinc/39/53/60/176395360.db2.gz XWKKTJFMPCKDQT-AWEZNQCLSA-N 1 0 299.418 2.505 40 0 CFABRO Cc1c2ccccc2[nH]c1C[N@@H+]1CCC[C@@H](CO)C1 ZINC000072397809 176395779 /nfs/dbraw/zinc/39/57/79/176395779.db2.gz OKVKVVRWCVMMQM-CYBMUJFWSA-N 1 0 258.365 2.681 40 0 CFABRO CC[C@@]1(C)OC(=O)N(C2CC(C)(C)[NH2+]C(C)(C)C2)[C@@]1(C)O ZINC000000036877 287431219 /nfs/dbraw/zinc/43/12/19/287431219.db2.gz MMHJMCRZTPXTHP-CVEARBPZSA-N 1 0 298.427 2.625 40 0 CFABRO O=c1[nH]c2ccccc2[n+]2c1S[C@@H](c1ccccc1)[C@H]2O ZINC000016478211 275062358 /nfs/dbraw/zinc/06/23/58/275062358.db2.gz FZVZNKSBFIFNKU-DZGCQCFKSA-O 1 0 297.359 2.566 40 0 CFABRO c1nc2c(n1CC1CC1)C1(CC[NH2+]CC1)Oc1ccccc1-2 ZINC000306144775 275075910 /nfs/dbraw/zinc/07/59/10/275075910.db2.gz ZOINRBSJNBYFNG-UHFFFAOYSA-N 1 0 295.386 2.931 40 0 CFABRO Brc1cccc([C@@H]2CSCC[NH2+]2)c1 ZINC000070587930 275373418 /nfs/dbraw/zinc/37/34/18/275373418.db2.gz YWMWTUQFDMCQBY-JTQLQIEISA-N 1 0 258.184 2.827 40 0 CFABRO CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000095097518 275518569 /nfs/dbraw/zinc/51/85/69/275518569.db2.gz BPPZHXPUFQYRNQ-QWHCGFSZSA-N 1 0 268.401 2.776 40 0 CFABRO CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1[NH2+]C1CC1 ZINC000079437077 275523247 /nfs/dbraw/zinc/52/32/47/275523247.db2.gz IMSIMDSWINKNOO-RYUDHWBXSA-N 1 0 254.374 2.574 40 0 CFABRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccc(Cl)cc3)C2)C1 ZINC000063527645 277071509 /nfs/dbraw/zinc/07/15/09/277071509.db2.gz VDURFZAZBKTOKF-MRXNPFEDSA-N 1 0 292.810 2.898 40 0 CFABRO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)c1cc[n+](C)cc1 ZINC000005496291 277796180 /nfs/dbraw/zinc/79/61/80/277796180.db2.gz IOONLHCKDARESF-VNQPRFMTSA-O 1 0 275.416 2.702 40 0 CFABRO CCC1(CC)CCN(C(=O)[C@H]2CC=CC[NH2+][C@H]2C)C1 ZINC000019500837 278626924 /nfs/dbraw/zinc/62/69/24/278626924.db2.gz OHFZZYREJMHWOS-KBPBESRZSA-N 1 0 264.413 2.579 40 0 CFABRO C[N@@H+]1[C@H](c2ccccc2)C[C@]2(C)NC(=O)CCCC[C@H]12 ZINC000257275427 290318146 /nfs/dbraw/zinc/31/81/46/290318146.db2.gz NPJQASDLJRAADP-ZOBUZTSGSA-N 1 0 272.392 2.881 40 0 CFABRO Cc1cc(C)nc(NCCC[NH2+]Cc2cccs2)n1 ZINC000062717848 327915483 /nfs/dbraw/zinc/91/54/83/327915483.db2.gz JQXLCGUCRWYUOZ-UHFFFAOYSA-N 1 0 276.409 2.747 40 0 CFABRO Fc1cccc(-c2cc3ncc4c(n3n2)C[C@@H]2CC[C@H]4[NH2+]2)c1 ZINC000072398214 327110327 /nfs/dbraw/zinc/11/03/27/327110327.db2.gz LYKIWTOYPIJSDR-GXTWGEPZSA-N 1 0 294.333 2.885 40 0 CFABRO O=[S@](c1ccc(Cl)cc1Cl)C1CC[NH2+]CC1 ZINC000083297487 327147920 /nfs/dbraw/zinc/14/79/20/327147920.db2.gz SACLOLKDPZCCFZ-MRXNPFEDSA-N 1 0 278.204 2.853 40 0 CFABRO C[C@@]12C[C@H]3[NH2+][C@@H]1CCCC[C@H]2N[C@@H]3Cc1ccccc1 ZINC000536553495 330365787 /nfs/dbraw/zinc/36/57/87/330365787.db2.gz JTXKOFRBDGVSQW-ZKXLYKBJSA-N 1 0 270.420 2.880 40 0 CFABRO CCC[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C[NH2+]1 ZINC000217782110 333123606 /nfs/dbraw/zinc/12/36/06/333123606.db2.gz HWUVXOQVFBHOEH-RYUDHWBXSA-N 1 0 256.390 2.679 40 0 CFABRO Fc1ccc(N2CC[NH2+][C@H]3CCCC[C@H]32)c(F)c1 ZINC000218836853 333137061 /nfs/dbraw/zinc/13/70/61/333137061.db2.gz XYHXXKPSDNNGOA-GXTWGEPZSA-N 1 0 252.308 2.686 40 0 CFABRO CC(=O)Oc1ccc(C[C@H]([NH3+])c2ccccc2)cc1 ZINC000225749877 519759470 /nfs/dbraw/zinc/75/94/70/519759470.db2.gz JILLVXYQHQALRF-INIZCTEOSA-N 1 0 255.317 2.854 40 0 CFABRO CCNc1cc(N2CCc3cc(OC)ccc3C2)nc(C)[nH+]1 ZINC000329031720 535522645 /nfs/dbraw/zinc/52/26/45/535522645.db2.gz QKHLEQLJXUBXSC-UHFFFAOYSA-N 1 0 298.390 2.788 40 0 CFABRO CC(C)(C)Nc1nc(NCc2ccccn2)cc(C2CC2)[nH+]1 ZINC000329069672 570338007 /nfs/dbraw/zinc/33/80/07/570338007.db2.gz YZDXGNOQGAMZLZ-UHFFFAOYSA-N 1 0 297.406 2.993 40 0 CFABRO O=C1N(c2ccsc2)CC[C@@]12CCC[N@H+](CC1CC1)C2 ZINC000096048763 185072404 /nfs/dbraw/zinc/07/24/04/185072404.db2.gz VESRWWTXHCHJJT-MRXNPFEDSA-N 1 0 290.432 2.977 40 0 CFABRO O=C1N(c2ccsc2)CC[C@]12CCC[N@H+](CC1CC1)C2 ZINC000096048762 185073599 /nfs/dbraw/zinc/07/35/99/185073599.db2.gz VESRWWTXHCHJJT-INIZCTEOSA-N 1 0 290.432 2.977 40 0 CFABRO CC[C@@H]1[N@H+](Cc2ccc(C)o2)CCC[C@]12CCC(=O)N2C ZINC000096052416 185073984 /nfs/dbraw/zinc/07/39/84/185073984.db2.gz WFOGTYOZVMLKMD-RDJZCZTQSA-N 1 0 290.407 2.953 40 0 CFABRO O=C1[C@H]2C[N@H+](Cc3cccs3)C[C@@H]2CN1c1ccccc1 ZINC000096053573 185074399 /nfs/dbraw/zinc/07/43/99/185074399.db2.gz UDGWCHVTEADHMY-CJNGLKHVSA-N 1 0 298.411 2.843 40 0 CFABRO CC[C@@H]1[N@H+](Cc2cccs2)CCC[C@]12CCC(=O)N2 ZINC000096052391 185074887 /nfs/dbraw/zinc/07/48/87/185074887.db2.gz RTKRQVDUPQYPAE-ZFWWWQNUSA-N 1 0 278.421 2.771 40 0 CFABRO COC[C@H]1CC2(CO1)CC[NH+](Cc1ccsc1)CC2 ZINC000096105749 185098881 /nfs/dbraw/zinc/09/88/81/185098881.db2.gz HYDKOUXQTOWMRZ-CQSZACIVSA-N 1 0 281.421 2.766 40 0 CFABRO OC[C@@H]1CCCC[N@@H+]1Cc1ccc2cc(F)ccc2n1 ZINC000096836633 185115735 /nfs/dbraw/zinc/11/57/35/185115735.db2.gz CJAOTCVCYAFVRE-HNNXBMFYSA-N 1 0 274.339 2.721 40 0 CFABRO CC[C@H](CO)[NH2+]Cc1ccc(-c2ccc([C@H](C)O)cc2)o1 ZINC000007540889 529392214 /nfs/dbraw/zinc/39/22/14/529392214.db2.gz VFCQVIIDFHIXJM-SWLSCSKDSA-N 1 0 289.375 2.860 40 0 CFABRO Cc1nccn1CC1(O)CC[NH+](CC2CCCCC2)CC1 ZINC000019287949 282203526 /nfs/dbraw/zinc/20/35/26/282203526.db2.gz DKNTWFDZAQYQCL-UHFFFAOYSA-N 1 0 291.439 2.599 40 0 CFABRO C[NH2+]CCCNCc1ccc(-c2ccc([C@H](C)O)cc2)o1 ZINC000007541193 529970951 /nfs/dbraw/zinc/97/09/51/529970951.db2.gz LFKDUPHOIMUQIY-ZDUSSCGKSA-N 1 0 288.391 2.699 40 0 CFABRO c1nc([C@@H]2CCC[NH2+]2)c2ccc(-c3cccnc3)cn12 ZINC000306138669 201842957 /nfs/dbraw/zinc/84/29/57/201842957.db2.gz SDXBCWCHXSOYKH-AWEZNQCLSA-N 1 0 264.332 2.821 40 0 CFABRO Cc1ccc(CCC(=O)NCC[NH+]2CCCCC2)cc1 ZINC000010332853 346226637 /nfs/dbraw/zinc/22/66/37/346226637.db2.gz QVYKWBVSUHSPCP-UHFFFAOYSA-N 1 0 274.408 2.530 40 0 CFABRO COCC[NH2+]Cc1cc(Br)c(C)s1 ZINC000085393247 179048627 /nfs/dbraw/zinc/04/86/27/179048627.db2.gz OMWBVWRAFQYLLO-UHFFFAOYSA-N 1 0 264.188 2.555 40 0 CFABRO c1cncc([C@H](C2CCCCC2)N2CC[NH2+]CC2)c1 ZINC000076669246 347146870 /nfs/dbraw/zinc/14/68/70/347146870.db2.gz QYQFUUPSLUSYES-INIZCTEOSA-N 1 0 259.397 2.608 40 0 CFABRO C[C@@H]1CC[NH2+]CC[C@H]1CNC(=O)OCc1ccccc1 ZINC000110916032 347751043 /nfs/dbraw/zinc/75/10/43/347751043.db2.gz NMZLKIGYIWOAFQ-HIFRSBDPSA-N 1 0 276.380 2.549 40 0 CFABRO C[NH2+][C@H]1CCCC[C@@H]1N(C(=O)OC(C)(C)C)C1CC1 ZINC000079437719 290829695 /nfs/dbraw/zinc/82/96/95/290829695.db2.gz ANGWZMALTASHTL-STQMWFEESA-N 1 0 268.401 2.917 40 0 CFABRO COc1ccc([C@@H](C)N2CC[NH2+][C@@H]3CCC[C@@H]32)cc1 ZINC000225718213 348179543 /nfs/dbraw/zinc/17/95/43/348179543.db2.gz CWYKHCGVGDOOSN-WQVCFCJDSA-N 1 0 260.381 2.583 40 0 CFABRO [NH3+]CC[C@@H](Cc1nc2ccccc2o1)C(F)(F)F ZINC000311006287 348411609 /nfs/dbraw/zinc/41/16/09/348411609.db2.gz PUWKNXIOMKMUOP-QMMMGPOBSA-N 1 0 258.243 2.898 40 0 CFABRO CC(C)(C)OC(=O)N1CCC2(CC[C@H](C[NH3+])C2)CC1 ZINC000409430945 348601574 /nfs/dbraw/zinc/60/15/74/348601574.db2.gz IKUSHRQPGFBILY-LBPRGKRZSA-N 1 0 268.401 2.763 40 0 CFABRO Cc1nc(C[NH3+])cc(Cc2ccc(Br)cc2)n1 ZINC000409438320 348602449 /nfs/dbraw/zinc/60/24/49/348602449.db2.gz LRMBFAAVXNKWAE-UHFFFAOYSA-N 1 0 292.180 2.597 40 0 CFABRO CN(C(=O)OC(C)(C)C)[C@@H](C(=[NH2+])NO)c1ccccc1 ZINC000409442630 348603006 /nfs/dbraw/zinc/60/30/06/348603006.db2.gz YHXRYLKRDWDUSK-LLVKDONJSA-N 1 0 279.340 2.551 40 0 CFABRO COc1ccc(Oc2cccc(NC(N)=[NH2+])c2)cc1 ZINC000090411754 179982368 /nfs/dbraw/zinc/98/23/68/179982368.db2.gz IQEJZBNWMTYIQB-UHFFFAOYSA-N 1 0 257.293 2.793 40 0 CFABRO Cc1ccc(C[N@@H+]2C[C@H]3CN(c4ccccc4)C(=O)[C@H]3C2)o1 ZINC000107742877 186189558 /nfs/dbraw/zinc/18/95/58/186189558.db2.gz YMRVJIYUICGOAF-YOEHRIQHSA-N 1 0 296.370 2.683 40 0 CFABRO CCC(=O)N1CC[C@]2(c3ccccc3)CC[N@@H+](CC)[C@H]2C1 ZINC000107805953 186192412 /nfs/dbraw/zinc/19/24/12/186192412.db2.gz RIUVUINPIUCPPW-WMZOPIPTSA-N 1 0 286.419 2.661 40 0 CFABRO Cc1ccc(F)c(C[N@@H+]2CCC[C@@]3(CCNC3=O)CC2)c1 ZINC000108527994 186220953 /nfs/dbraw/zinc/22/09/53/186220953.db2.gz GYDGMPWZLLQZMR-QGZVFWFLSA-N 1 0 290.382 2.626 40 0 CFABRO CCCn1cc(C[NH2+]CCc2cccc(OC)c2)cn1 ZINC000116913726 186732196 /nfs/dbraw/zinc/73/21/96/186732196.db2.gz VJWAMNDGYHPPQJ-UHFFFAOYSA-N 1 0 273.380 2.634 40 0 CFABRO Cc1cn(C)c([C@@H]2CC[N@H+](Cc3ccsc3)C2)n1 ZINC000205706997 539931529 /nfs/dbraw/zinc/93/15/29/539931529.db2.gz ZZGRZONQNWBIQH-CYBMUJFWSA-N 1 0 261.394 2.780 40 0 CFABRO C[C@H]([NH2+]Cc1cnc(N2CCCC2)nc1)c1ccccc1 ZINC000062717790 539958976 /nfs/dbraw/zinc/95/89/76/539958976.db2.gz IUQAFRHUUWHGQJ-AWEZNQCLSA-N 1 0 282.391 2.928 40 0 CFABRO Fc1cccc(C[N@H+]2C[C@@H]3c4n[nH]cc4CC[C@@H]3C2)c1F ZINC000019292767 283013893 /nfs/dbraw/zinc/01/38/93/283013893.db2.gz HMGMFZMKQWFUJJ-YPMHNXCESA-N 1 0 289.329 2.850 40 0 CFABRO Cc1ccc(CNc2cc(C3CC3)[nH+]c(NC(C)C)n2)cc1 ZINC000328971204 202134121 /nfs/dbraw/zinc/13/41/21/202134121.db2.gz DNYNSHCOSCTGDF-UHFFFAOYSA-N 1 0 296.418 2.939 40 0 CFABRO CCN(C(=O)OC(C)(C)C)[C@@H]1CCCC[C@H]1[NH2+]C ZINC000079437622 284193330 /nfs/dbraw/zinc/19/33/30/284193330.db2.gz PCMJKANNIJUKKE-VXGBXAGGSA-N 1 0 256.390 2.774 40 0 CFABRO CCN(C(=O)OC(C)(C)C)[C@@H]1CCOC2(CC[NH2+]CC2)C1 ZINC000257295228 284193885 /nfs/dbraw/zinc/19/38/85/284193885.db2.gz QXNFJZKEROJABI-CYBMUJFWSA-N 1 0 298.427 2.545 40 0 CFABRO [NH2+]=C1CCCN1CC(=O)c1ccc(Br)cc1 ZINC000000245493 371567988 /nfs/dbraw/zinc/56/79/88/371567988.db2.gz DZCSAPZHOUAGTG-UHFFFAOYSA-N 1 0 281.153 2.705 40 0 CFABRO CCOc1ccc(OCC)c([C@@H](O)[C@@H](C)[NH2+]C(C)C)c1 ZINC000001565242 371680809 /nfs/dbraw/zinc/68/08/09/371680809.db2.gz OJISRTSIAOBZGQ-WBMJQRKESA-N 1 0 281.396 2.904 40 0 CFABRO CC[NH+](CC)CC(C)(C)COC(=O)c1cccnc1 ZINC000001746950 371704854 /nfs/dbraw/zinc/70/48/54/371704854.db2.gz RZARYIRFWYZAIF-UHFFFAOYSA-N 1 0 264.369 2.606 40 0 CFABRO C[NH+]1CCC(OC(=O)Nc2cccc(Cl)c2)CC1 ZINC000002166208 371719069 /nfs/dbraw/zinc/71/90/69/371719069.db2.gz GBWFXDHRMNQWTN-UHFFFAOYSA-N 1 0 268.744 2.983 40 0 CFABRO CC(C)(C)OC(=O)N[C@@H](CC[NH3+])C1CCCCC1 ZINC000002512918 371731716 /nfs/dbraw/zinc/73/17/16/371731716.db2.gz PNRHIRHVFGTNET-LBPRGKRZSA-N 1 0 256.390 2.809 40 0 CFABRO CCn1cc(C[NH2+]Cc2ccc(OC)cc2)c(C)n1 ZINC000002536074 371734421 /nfs/dbraw/zinc/73/44/21/371734421.db2.gz LZJZSDOKZXVYCE-UHFFFAOYSA-N 1 0 259.353 2.510 40 0 CFABRO CC[NH+](CC)CCOC(=O)c1cnc2ccccc2c1 ZINC000001628249 371690011 /nfs/dbraw/zinc/69/00/11/371690011.db2.gz UXVAARGSHZXKSW-UHFFFAOYSA-N 1 0 272.348 2.733 40 0 CFABRO C[C@H](O)C[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000001666281 371693114 /nfs/dbraw/zinc/69/31/14/371693114.db2.gz JXHMGLPMZUHEPR-YOEHRIQHSA-N 1 0 255.361 2.941 40 0 CFABRO Cc1nc(-c2ccccc2)ncc1[C@H](O)C[NH+]1CCCCC1 ZINC000001677696 371697436 /nfs/dbraw/zinc/69/74/36/371697436.db2.gz JBZAPFOKZOFHDO-QGZVFWFLSA-N 1 0 297.402 2.971 40 0 CFABRO CC(C)Oc1ccc(C(=O)OCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000001706414 371700793 /nfs/dbraw/zinc/70/07/93/371700793.db2.gz HNYHPXPHZLQILY-CQSZACIVSA-N 1 0 291.391 2.972 40 0 CFABRO CCCC(CCC)[NH2+]CCOC(=O)c1ccc(N)cc1 ZINC000001716533 371702058 /nfs/dbraw/zinc/70/20/58/371702058.db2.gz WKUQRSYGQPQAAY-UHFFFAOYSA-N 1 0 278.396 2.984 40 0 CFABRO O=C(C[NH+]1CCCC1)NC(c1ccccc1)c1ccccc1 ZINC000003603967 371812523 /nfs/dbraw/zinc/81/25/23/371812523.db2.gz PZUGUHSUBUNLKU-UHFFFAOYSA-N 1 0 294.398 2.988 40 0 CFABRO O=C(C[NH+]1CCC(c2ccc(F)cc2)CC1)N1CCCC1 ZINC000012113951 371944992 /nfs/dbraw/zinc/94/49/92/371944992.db2.gz SYBFQGUUARDOMP-UHFFFAOYSA-N 1 0 290.382 2.628 40 0 CFABRO CCc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000006356290 371888822 /nfs/dbraw/zinc/88/88/22/371888822.db2.gz HVPKCRPSZRFTBQ-GOEBONIOSA-N 1 0 277.408 2.863 40 0 CFABRO CCc1[nH+]c(N)nc(N)c1-c1ccc(N2CCCCC2)cc1 ZINC000013212310 372020291 /nfs/dbraw/zinc/02/02/91/372020291.db2.gz HFTMADBRHXOVCD-UHFFFAOYSA-N 1 0 297.406 2.861 40 0 CFABRO O=C(C[NH2+]Cc1ccc(F)cc1)Nc1ccccc1 ZINC000013479832 372029584 /nfs/dbraw/zinc/02/95/84/372029584.db2.gz VPVNOHSFJMAZCF-UHFFFAOYSA-N 1 0 258.296 2.554 40 0 CFABRO COc1ccc(C(=O)O[C@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000013756381 372048454 /nfs/dbraw/zinc/04/84/54/372048454.db2.gz DXLIAGZRNHJCQN-HUBLWGQQSA-N 1 0 277.364 2.581 40 0 CFABRO CCc1nc2sc3c(c2c(NCC[NH3+])n1)CCCC3 ZINC000013998649 372055960 /nfs/dbraw/zinc/05/59/60/372055960.db2.gz FSTVQVJHKOHDMI-UHFFFAOYSA-N 1 0 276.409 2.503 40 0 CFABRO Cc1ccc(NC(=O)COc2ccc(C[NH3+])cc2)c(C)c1 ZINC000019258032 372151074 /nfs/dbraw/zinc/15/10/74/372151074.db2.gz WKWBGRUJSRZZEP-UHFFFAOYSA-N 1 0 284.359 2.780 40 0 CFABRO Cc1nnc2n1[C@H]1C[N@@H+](Cc3cccc(C)c3)C[C@H]1CC2 ZINC000019235082 372151238 /nfs/dbraw/zinc/15/12/38/372151238.db2.gz OSMLWAOFYZNYJM-CVEARBPZSA-N 1 0 282.391 2.514 40 0 CFABRO C[C@@H](Cn1cccn1)[NH2+]Cc1cn(C)c2cc(F)ccc12 ZINC000019457686 372164908 /nfs/dbraw/zinc/16/49/08/372164908.db2.gz LOIJKOCJTAAEHW-LBPRGKRZSA-N 1 0 286.354 2.692 40 0 CFABRO Cc1cc(Cl)ccc1NC(=O)C1CC[NH2+]CC1 ZINC000019484872 372168117 /nfs/dbraw/zinc/16/81/17/372168117.db2.gz NFFODWIJDGAJHP-UHFFFAOYSA-N 1 0 252.745 2.587 40 0 CFABRO CCCCn1cc(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c(C)n1 ZINC000019502430 372170422 /nfs/dbraw/zinc/17/04/22/372170422.db2.gz GBYWSATZDFKLEJ-PBHICJAKSA-N 1 0 290.455 2.660 40 0 CFABRO c1coc(CN2CC[NH+](C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)c1 ZINC000019842516 372197415 /nfs/dbraw/zinc/19/74/15/372197415.db2.gz MPUJOCXZNNCUCE-PMPSAXMXSA-N 1 0 272.392 2.609 40 0 CFABRO c1coc(CN2CC[NH+](C[C@H]3C[C@H]4C=C[C@@H]3C4)CC2)c1 ZINC000022860603 372246402 /nfs/dbraw/zinc/24/64/02/372246402.db2.gz MPUJOCXZNNCUCE-ARFHVFGLSA-N 1 0 272.392 2.609 40 0 CFABRO OC(c1ccccc1)(c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000026522515 372325008 /nfs/dbraw/zinc/32/50/08/372325008.db2.gz YLADTSCQUFGYMH-MRXNPFEDSA-N 1 0 253.345 2.532 40 0 CFABRO C[C@H]1CCC[C@@H]1OC[C@H](O)C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000035093056 372536977 /nfs/dbraw/zinc/53/69/77/372536977.db2.gz ROLPJNXSYMGNIP-RBZJEDDUSA-N 1 0 269.429 2.815 40 0 CFABRO FC(F)(F)c1ccccc1CN1CCC[NH2+]CC1 ZINC000037399904 372664277 /nfs/dbraw/zinc/66/42/77/372664277.db2.gz UKNQWNZHBGOEEE-UHFFFAOYSA-N 1 0 258.287 2.501 40 0 CFABRO Cn1c2ccccc2nc1[C@H]1CC[N@H+](Cc2ccccn2)C1 ZINC000049171195 373275672 /nfs/dbraw/zinc/27/56/72/373275672.db2.gz VGFIBDDMMXRRMJ-AWEZNQCLSA-N 1 0 292.386 2.958 40 0 biogenic,in-vitro CFABRO CC(C)(C)OC(=O)N[C@@H]1C[NH2+][C@H](c2ccccc2)C1 ZINC000049581919 373312693 /nfs/dbraw/zinc/31/26/93/373312693.db2.gz NYHRWBNVAKQKGY-STQMWFEESA-N 1 0 262.353 2.614 40 0 CFABRO CC(C)(C)OC(=O)N1CCC2(CC1)CCC[NH2+]CC2 ZINC000054956932 373533206 /nfs/dbraw/zinc/53/32/06/373533206.db2.gz MCLHMSGEDWSROH-UHFFFAOYSA-N 1 0 268.401 2.777 40 0 CFABRO CC(C)[NH+]1CCC(O)(c2cc(F)cc(F)c2)CC1 ZINC000055192555 373544666 /nfs/dbraw/zinc/54/46/66/373544666.db2.gz TWBVQDQGHOMZAR-UHFFFAOYSA-N 1 0 255.308 2.657 40 0 CFABRO CC(C)[NH+]1CCC(O)(c2ccc(F)c(F)c2)CC1 ZINC000055236817 373546421 /nfs/dbraw/zinc/54/64/21/373546421.db2.gz LFGYEVVURZUOMZ-UHFFFAOYSA-N 1 0 255.308 2.657 40 0 CFABRO Brc1ccc([C@H]2CN(C3CC3)CC[NH2+]2)cc1 ZINC000056894795 373574963 /nfs/dbraw/zinc/57/49/63/373574963.db2.gz ANPKZVQZVZJDNP-CYBMUJFWSA-N 1 0 281.197 2.558 40 0 CFABRO CC(C)(C)OC(=O)N1CCCC[C@@]12CCCC[NH2+]C2 ZINC000064033694 373818945 /nfs/dbraw/zinc/81/89/45/373818945.db2.gz XAJGVXDLOMQPNC-OAHLLOKOSA-N 1 0 268.401 2.920 40 0 CFABRO C[C@](C[NH3+])(c1ccccc1Cl)N1CCCCC1 ZINC000070453421 374179860 /nfs/dbraw/zinc/17/98/60/374179860.db2.gz JZMLCYJOSGXWFI-AWEZNQCLSA-N 1 0 252.789 3.000 40 0 CFABRO Cc1ccc(NC(=O)CC2CC[NH+](C)CC2)cc1C ZINC000074920988 374446927 /nfs/dbraw/zinc/44/69/27/374446927.db2.gz SGHXJNNYFUQOPP-UHFFFAOYSA-N 1 0 260.381 2.974 40 0 CFABRO C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccn1 ZINC000079439705 374612405 /nfs/dbraw/zinc/61/24/05/374612405.db2.gz SHSRBPGOGUWTTM-QWHCGFSZSA-N 1 0 291.395 2.742 40 0 CFABRO Cc1ccc(C)c([C@@H](C)NC(=O)[C@@H]2CCC[N@H+](C)C2)c1 ZINC000081230097 374689202 /nfs/dbraw/zinc/68/92/02/374689202.db2.gz GUYHWWFUCVDRIW-HUUCEWRRSA-N 1 0 274.408 2.822 40 0 CFABRO C[NH+](C)CCCNC(=O)C1(c2ccccc2)CCCC1 ZINC000082263050 374730438 /nfs/dbraw/zinc/73/04/38/374730438.db2.gz ZPPAYCFYFIPLGE-UHFFFAOYSA-N 1 0 274.408 2.566 40 0 CFABRO C[N@@H+]1CCC[C@H](C(=O)Nc2cccc(Br)c2)C1 ZINC000082335898 374737477 /nfs/dbraw/zinc/73/74/77/374737477.db2.gz MNCFZROGDXXULJ-JTQLQIEISA-N 1 0 297.196 2.729 40 0 CFABRO C[N@@H+]1CC[C@@H](NC(=O)c2ccccc2)[C@H]2CCCC[C@@H]21 ZINC000085411752 374802665 /nfs/dbraw/zinc/80/26/65/374802665.db2.gz WQEACRKNPKAUDS-OAGGEKHMSA-N 1 0 272.392 2.679 40 0 CFABRO C[N@@H+]1CCC[C@]2(CCN(C(=O)Nc3ccccc3)C2)C1 ZINC000096215241 375477022 /nfs/dbraw/zinc/47/70/22/375477022.db2.gz IAFKXCQCEDZPEP-INIZCTEOSA-N 1 0 273.380 2.636 40 0 CFABRO c1cncc(CN2CCC3(CCC[N@H+]3CC3CC3)CC2)c1 ZINC000096227890 375480211 /nfs/dbraw/zinc/48/02/11/375480211.db2.gz OWOUGYQKWYNKED-UHFFFAOYSA-N 1 0 285.435 2.922 40 0 CFABRO Cc1ccc(C[N@@H+]2CCc3ncnc(C4CC4)c3CC2)o1 ZINC000096255074 375481457 /nfs/dbraw/zinc/48/14/57/375481457.db2.gz KDVYPOATCCQWRU-UHFFFAOYSA-N 1 0 283.375 2.856 40 0 CFABRO Cc1ccc2c(c1)C1(CN2C(=O)C(C)C)CC[NH2+]CC1 ZINC000096241376 375481722 /nfs/dbraw/zinc/48/17/22/375481722.db2.gz GQRSGEWKRBWQSW-UHFFFAOYSA-N 1 0 272.392 2.619 40 0 CFABRO O=C1N[C@H](c2ccccc2)C12CC[NH+](CC1CCC1)CC2 ZINC000096244722 375482349 /nfs/dbraw/zinc/48/23/49/375482349.db2.gz IGXQOCVWXVTJNB-MRXNPFEDSA-N 1 0 284.403 2.740 40 0 CFABRO CC(C)CN1Cc2ccccc2CC2(CC[NH2+]CC2)C1=O ZINC000096243391 375482403 /nfs/dbraw/zinc/48/24/03/375482403.db2.gz MLIGPFAWVSMROG-UHFFFAOYSA-N 1 0 286.419 2.597 40 0 CFABRO CCCn1cc(C[NH2+]Cc2cnn(C3CCCC3)c2)cn1 ZINC000256050230 190003090 /nfs/dbraw/zinc/00/30/90/190003090.db2.gz DGEXPWYRSYRZMX-UHFFFAOYSA-N 1 0 287.411 2.895 40 0 CFABRO COc1cc(C[NH2+]Cc2cnn(CC(C)C)c2)ccc1O ZINC000256051377 190003691 /nfs/dbraw/zinc/00/36/91/190003691.db2.gz IXVBJWRIPKRIDN-UHFFFAOYSA-N 1 0 289.379 2.543 40 0 CFABRO COc1cccc(CC[NH2+]Cc2ccnn2CC(C)C)c1 ZINC000256051254 190003975 /nfs/dbraw/zinc/00/39/75/190003975.db2.gz IKRLSPQSNLWXAJ-UHFFFAOYSA-N 1 0 287.407 2.880 40 0 CFABRO Cc1cc(N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc[nH+]1 ZINC000098175336 375608647 /nfs/dbraw/zinc/60/86/47/375608647.db2.gz KQCSQDJKVVSNSE-CYBMUJFWSA-N 1 0 277.368 2.811 40 0 CFABRO CC(C)c1cc(C[NH2+]Cc2ccc(F)cc2)n(C)n1 ZINC000256052797 190004167 /nfs/dbraw/zinc/00/41/67/190004167.db2.gz OSGVZPQZLNCNNE-UHFFFAOYSA-N 1 0 261.344 2.972 40 0 CFABRO COc1ccc(C[NH2+]Cc2cnn(CC(F)F)c2C)cc1 ZINC000256054305 190005462 /nfs/dbraw/zinc/00/54/62/190005462.db2.gz VVBLSCNQAAZBGN-UHFFFAOYSA-N 1 0 295.333 2.755 40 0 CFABRO Fc1ccc(Oc2nccnc2[C@H]2CCC[NH2+]C2)cc1 ZINC000257197502 190010273 /nfs/dbraw/zinc/01/02/73/190010273.db2.gz BIKXTTSFIDSYMU-NSHDSACASA-N 1 0 273.311 2.875 40 0 CFABRO Cn1ccc2ccnc(CC3C[NH+](C4CCCC4)C3)c21 ZINC000257202199 190010825 /nfs/dbraw/zinc/01/08/25/190010825.db2.gz AKVXGQXFWAKTRQ-UHFFFAOYSA-N 1 0 269.392 2.990 40 0 CFABRO O=C(CCc1cccs1)N1CCCC[C@H]2C[NH2+]CC[C@H]21 ZINC000257200820 190010978 /nfs/dbraw/zinc/01/09/78/190010978.db2.gz AFALJSOUUWKBBB-DZGCQCFKSA-N 1 0 292.448 2.671 40 0 CFABRO Cc1cnc([C@H]2CCC[N@H+](Cc3ccnc(C)n3)C2)s1 ZINC000257204012 190011876 /nfs/dbraw/zinc/01/18/76/190011876.db2.gz ASQJHOBYMMSJSL-ZDUSSCGKSA-N 1 0 288.420 2.930 40 0 CFABRO c1ccc(CC[N@@H+]2CCO[C@H](Cc3cccnc3)C2)cc1 ZINC000257209205 190012183 /nfs/dbraw/zinc/01/21/83/190012183.db2.gz BPJRQDUCRBJTNZ-GOSISDBHSA-N 1 0 282.387 2.568 40 0 CFABRO Cc1cncc(C2CC[NH+](Cc3ccnn3C(C)C)CC2)n1 ZINC000257209640 190012296 /nfs/dbraw/zinc/01/22/96/190012296.db2.gz BRGPNYKKRIQLHW-UHFFFAOYSA-N 1 0 299.422 2.942 40 0 CFABRO C[N@@H+]1[C@H](Cc2ccccc2)C[C@]2(C)NC(=O)CCCC[C@H]12 ZINC000257207724 190012535 /nfs/dbraw/zinc/01/25/35/190012535.db2.gz BIYMUEUBNQYAIC-RYRKJORJSA-N 1 0 286.419 2.751 40 0 CFABRO Cc1nccc([C@@H]2CCC[N@@H+](Cc3cccn3C)C2)n1 ZINC000257232140 190016929 /nfs/dbraw/zinc/01/69/29/190016929.db2.gz GJOROFOYIPWOBK-CQSZACIVSA-N 1 0 270.380 2.503 40 0 CFABRO Cc1ccnc([C@H]2CC[N@H+](Cc3ccccc3F)C2)n1 ZINC000257222263 190014900 /nfs/dbraw/zinc/01/49/00/190014900.db2.gz DSPGJPUIDLICDK-AWEZNQCLSA-N 1 0 271.339 2.914 40 0 CFABRO COc1ccccc1[C@H]1C[NH2+]CCN1Cc1ccc(C)nc1 ZINC000257239200 190017628 /nfs/dbraw/zinc/01/76/28/190017628.db2.gz HOIIARYTTHXBIR-QGZVFWFLSA-N 1 0 297.402 2.545 40 0 CFABRO COc1cc(C[N@@H+]2CC[C@H](c3nc(C)c[nH]3)C2)ccc1F ZINC000257240769 190018263 /nfs/dbraw/zinc/01/82/63/190018263.db2.gz HVDFLWQRCSYACW-ZDUSSCGKSA-N 1 0 289.354 2.855 40 0 CFABRO Cc1cnc(C2(C)CC[NH+]([C@H]3CCOC3)CC2)s1 ZINC000257251826 190020033 /nfs/dbraw/zinc/02/00/33/190020033.db2.gz JSKHYAQRKPSUOE-LBPRGKRZSA-N 1 0 266.410 2.594 40 0 CFABRO Cc1cc(-c2cnc([C@@H]3CCC[N@@H+](C(C)C)C3)cn2)n[nH]1 ZINC000257266710 190022872 /nfs/dbraw/zinc/02/28/72/190022872.db2.gz MEDKNPCCUAQHCA-CYBMUJFWSA-N 1 0 285.395 2.763 40 0 CFABRO Cc1cc(C)nc(Nc2cccc([C@H]3CCC[NH2+]C3)n2)n1 ZINC000257271049 190023623 /nfs/dbraw/zinc/02/36/23/190023623.db2.gz MWPBQYAMYNIWID-ZDUSSCGKSA-N 1 0 283.379 2.699 40 0 CFABRO CC1(c2cc[nH]n2)CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000257269160 190023926 /nfs/dbraw/zinc/02/39/26/190023926.db2.gz MOVCIEOOABHJDK-UHFFFAOYSA-N 1 0 271.364 2.669 40 0 CFABRO Cc1cnc(Nc2cc([C@@H]3CC[N@@H+](C)C3)nc(C)n2)s1 ZINC000257270300 190023987 /nfs/dbraw/zinc/02/39/87/190023987.db2.gz MTPRTFMZJRGACY-LLVKDONJSA-N 1 0 289.408 2.713 40 0 CFABRO Cc1cccc(C[C@@H]2CCC[N@@H+](Cc3ccn(C)n3)C2)n1 ZINC000257261312 190022653 /nfs/dbraw/zinc/02/26/53/190022653.db2.gz LGRPEWJOEBQMMA-HNNXBMFYSA-N 1 0 284.407 2.578 40 0 CFABRO COc1ccc([C@@H](Cc2ccccc2)NCC[NH3+])cc1 ZINC000104344575 375779786 /nfs/dbraw/zinc/77/97/86/375779786.db2.gz SMTBKEGMUSEVOP-QGZVFWFLSA-N 1 0 270.376 2.527 40 0 CFABRO c1cc(C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n[nH]1 ZINC000257287765 190026769 /nfs/dbraw/zinc/02/67/69/190026769.db2.gz PRKIFHLSEWDWTJ-HNNXBMFYSA-N 1 0 255.365 2.864 40 0 CFABRO Cc1cncc(C2CC[NH+](Cc3cccn3C)CC2)n1 ZINC000257286866 190027256 /nfs/dbraw/zinc/02/72/56/190027256.db2.gz PNJJZZRMIDJUHO-UHFFFAOYSA-N 1 0 270.380 2.503 40 0 CFABRO C[N@@H+]1CCC[C@@H](c2cccc(N3C(=O)OCC3(C)C)n2)C1 ZINC000257274264 190025026 /nfs/dbraw/zinc/02/50/26/190025026.db2.gz NKGKWYPMGTWBGZ-GFCCVEGCSA-N 1 0 289.379 2.626 40 0 CFABRO O=C(Nc1ccc(F)cc1)c1ccc([C@@H]2CCC[NH2+]C2)nc1 ZINC000257297068 190029398 /nfs/dbraw/zinc/02/93/98/190029398.db2.gz RFQULUZXLVUJBZ-GFCCVEGCSA-N 1 0 299.349 2.940 40 0 CFABRO O[C@H]1CCCOC12CC[NH+](Cc1cccc(Cl)c1)CC2 ZINC000257302343 190030106 /nfs/dbraw/zinc/03/01/06/190030106.db2.gz SCOFDIXQKCDJNC-HNNXBMFYSA-N 1 0 295.810 2.846 40 0 CFABRO Cc1csc(Nc2cc([C@@H]3CCC[NH2+]C3)nc(C)n2)n1 ZINC000257303311 190030311 /nfs/dbraw/zinc/03/03/11/190030311.db2.gz SGRSXQCRLCYGKN-LLVKDONJSA-N 1 0 289.408 2.761 40 0 CFABRO c1nc(NC2CCCC2)cnc1C[C@@H]1CCC[NH2+]CC1 ZINC000257306084 190031027 /nfs/dbraw/zinc/03/10/27/190031027.db2.gz SSVBTNOOSIBVAN-CYBMUJFWSA-N 1 0 274.412 2.763 40 0 CFABRO CCOCC[N@@H+]1CCC[C@H](Cc2cccc(C)n2)C1 ZINC000257333760 190035913 /nfs/dbraw/zinc/03/59/13/190035913.db2.gz YCXYJYZQIKFTNZ-OAHLLOKOSA-N 1 0 262.397 2.681 40 0 CFABRO Cc1cc(CC[C@@H]2CCC[N@H+]2Cc2nccn2C)ccn1 ZINC000257336456 190036053 /nfs/dbraw/zinc/03/60/53/190036053.db2.gz YOMWYRDZJXDCDO-INIZCTEOSA-N 1 0 284.407 2.721 40 0 CFABRO Cc1ccc(C[C@@H]2CCC[N@H+](Cc3cnc[nH]3)C2)cn1 ZINC000257342869 190037567 /nfs/dbraw/zinc/03/75/67/190037567.db2.gz ZQKZOYSHUDHAKW-HNNXBMFYSA-N 1 0 270.380 2.568 40 0 CFABRO COCCC[NH2+]Cc1cccn1-c1ccc(C)cc1 ZINC000113703992 376027283 /nfs/dbraw/zinc/02/72/83/376027283.db2.gz BKWLUJDIIVZBDT-UHFFFAOYSA-N 1 0 258.365 2.912 40 0 CFABRO COc1ccc(C[NH2+]Cc2cn(C)nc2C(F)(F)F)cc1 ZINC000130677583 377594033 /nfs/dbraw/zinc/59/40/33/377594033.db2.gz WFKQDABRGQSQKK-UHFFFAOYSA-N 1 0 299.296 2.737 40 0 CFABRO CC[C@H](NC(=O)C1CC[NH+](C)CC1)c1ccc(C)cc1 ZINC000172737224 379637809 /nfs/dbraw/zinc/63/78/09/379637809.db2.gz SPIZMFHKYHHPQA-INIZCTEOSA-N 1 0 274.408 2.904 40 0 CFABRO c1ccc(-c2ccc3nnc([C@H]4CCCC[NH2+]4)n3n2)cc1 ZINC000217562764 382786841 /nfs/dbraw/zinc/78/68/41/382786841.db2.gz CKFQYIPETRGZKQ-CQSZACIVSA-N 1 0 279.347 2.606 40 0 CFABRO Clc1ccc(-c2ccc3nnc([C@@H]4CCC[NH2+]4)n3n2)cc1 ZINC000217553808 382787036 /nfs/dbraw/zinc/78/70/36/382787036.db2.gz CRQCPZYAEXYWCN-ZDUSSCGKSA-N 1 0 299.765 2.869 40 0 CFABRO [NH3+]CCCc1csc(Cc2ccc(F)cc2)n1 ZINC000218315224 382789809 /nfs/dbraw/zinc/78/98/09/382789809.db2.gz RAEILYJGMSKZIK-UHFFFAOYSA-N 1 0 250.342 2.764 40 0 CFABRO COC(=O)C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000228981035 382849593 /nfs/dbraw/zinc/84/95/93/382849593.db2.gz OQJVKTAEZWJYFR-MQVJKMGUSA-N 1 0 273.376 2.993 40 0 CFABRO CC1CC[NH+](CCCNC(=O)Cc2ccc(F)cc2)CC1 ZINC000225076533 382812706 /nfs/dbraw/zinc/81/27/06/382812706.db2.gz BHHIRHKXOXJUCB-UHFFFAOYSA-N 1 0 292.398 2.606 40 0 CFABRO Fc1ccc(NC(=S)NCCC[NH+]2CCCC2)cc1F ZINC000225433758 382815804 /nfs/dbraw/zinc/81/58/04/382815804.db2.gz FEJRIFYTRBSLTR-UHFFFAOYSA-N 1 0 299.390 2.737 40 0 CFABRO c1cc(C[N@H+]2CC[C@@H]3O[C@H](COCC4CC4)CC[C@@H]32)co1 ZINC000247897850 383198730 /nfs/dbraw/zinc/19/87/30/383198730.db2.gz VCTOAQVQADJOGT-ULQDDVLXSA-N 1 0 291.391 2.828 40 0 CFABRO COC[C@H]1CCOC12CN(Cc1cc(C)ccc1C)C2 ZINC000247918658 383200276 /nfs/dbraw/zinc/20/02/76/383200276.db2.gz ZWJMDCKTBGYMIB-MRXNPFEDSA-N 1 0 275.392 2.541 40 0 CFABRO C[C@@]1(CO)C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000253380244 383453293 /nfs/dbraw/zinc/45/32/93/383453293.db2.gz NEPDTEDKCCEHIC-OLZOCXBDSA-N 1 0 273.298 2.679 40 0 CFABRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@]1(CO)C(F)(F)F ZINC000253380276 383453725 /nfs/dbraw/zinc/45/37/25/383453725.db2.gz YRQQNNUMEBZONG-WCQYABFASA-N 1 0 273.298 2.679 40 0 CFABRO COc1ccc2c(c1)[C@@]13CC[N@H+](C)[C@@H](C2)[C@@H]1[C@H](C)CC(=O)C3 ZINC000253504364 383461742 /nfs/dbraw/zinc/46/17/42/383461742.db2.gz FVZCKWRBLLZDHV-JNPHEJMOSA-N 1 0 299.414 2.808 40 0 biogenic,in-vitro CFABRO c1cc2n(c1)C[C@@H](OCc1ccncc1)C[N@@H+](CC1CC1)C2 ZINC000253588380 383463945 /nfs/dbraw/zinc/46/39/45/383463945.db2.gz APHGROSVTCZNOU-SFHVURJKSA-N 1 0 297.402 2.694 40 0 CFABRO c1cc2n(c1)C[C@H](OCc1cccnc1)C[N@@H+](CC1CC1)C2 ZINC000253588457 383463966 /nfs/dbraw/zinc/46/39/66/383463966.db2.gz DJLMEPYIXFDMMW-GOSISDBHSA-N 1 0 297.402 2.694 40 0 CFABRO Cc1cccc(N2CCC[C@H]([N@H+](C)Cc3cccnc3)C2)n1 ZINC000257201347 383493699 /nfs/dbraw/zinc/49/36/99/383493699.db2.gz AHHMZDNISJAZDW-KRWDZBQOSA-N 1 0 296.418 2.886 40 0 CFABRO CC(C)n1nccc1-c1nccnc1[C@@H]1CCC[N@H+](C)C1 ZINC000257330696 383494810 /nfs/dbraw/zinc/49/48/10/383494810.db2.gz XPNORULFGBCFQC-CYBMUJFWSA-N 1 0 285.395 2.730 40 0 CFABRO Cc1c[nH]nc1[C@@H]1CCCC[N@@H+]1CC1CCOCC1 ZINC000257296689 383495069 /nfs/dbraw/zinc/49/50/69/383495069.db2.gz RDYNTWPXYQLBSX-AWEZNQCLSA-N 1 0 263.385 2.672 40 0 CFABRO FC(F)(F)CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280565480 385063744 /nfs/dbraw/zinc/06/37/44/385063744.db2.gz VGFCJFPIOVZZBP-OKILXGFUSA-N 1 0 284.325 2.613 40 0 CFABRO O[C@](Cc1ccccc1)(C1CCCCC1)[C@@H]1C[NH2+]CCO1 ZINC000242687270 256698123 /nfs/dbraw/zinc/69/81/23/256698123.db2.gz UCXZRTLZAKLHBM-ZWKOTPCHSA-N 1 0 289.419 2.529 40 0 CFABRO CCC[NH+](CCC)CCc1nc(-c2cccc(N)c2)n[nH]1 ZINC000062719546 256720080 /nfs/dbraw/zinc/72/00/80/256720080.db2.gz PDWVVHFQEVAYLG-UHFFFAOYSA-N 1 0 287.411 2.718 40 0 CFABRO Cc1cc(-c2noc(CC[NH3+])n2)cc(C)c1OC(C)C ZINC000095095362 184943024 /nfs/dbraw/zinc/94/30/24/184943024.db2.gz DWGBQJKCGARQLG-UHFFFAOYSA-N 1 0 275.352 2.642 40 0 CFABRO c1ccc2c(c1)Cc1ccccc1N1CC[NH2+]C[C@@H]21 ZINC000005162702 285518162 /nfs/dbraw/zinc/51/81/62/285518162.db2.gz ZBILSSSEXRZGKS-KRWDZBQOSA-N 1 0 250.345 2.742 40 0 in-vitro CFABRO COc1ccc(CN[C@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1OC ZINC000012489660 393474147 /nfs/dbraw/zinc/47/41/47/393474147.db2.gz DAGGEUHIWOTDNG-YDHLFZDLSA-N 1 0 292.423 2.522 40 0 CFABRO C[C@H]1C[NH2+]CCN1Cc1c(Cl)cccc1Cl ZINC000054373862 393618931 /nfs/dbraw/zinc/61/89/31/393618931.db2.gz FQVGPPQCSVLFRD-VIFPVBQESA-N 1 0 259.180 2.787 40 0 CFABRO Brc1ccccc1C[C@H]1CCC[NH2+]C1 ZINC000060164773 393625327 /nfs/dbraw/zinc/62/53/27/393625327.db2.gz IDXNIANQBPVDPM-SNVBAGLBSA-N 1 0 254.171 2.991 40 0 CFABRO CSc1ncc(C[NH2+]Cc2ccc(F)cc2)cn1 ZINC000062717228 393627784 /nfs/dbraw/zinc/62/77/84/393627784.db2.gz KVYNGTHNVAQWRU-UHFFFAOYSA-N 1 0 263.341 2.627 40 0 CFABRO Cc1nc(N2CCc3ccccc3C2)ccc1[C@H](C)[NH3+] ZINC000072224938 393647526 /nfs/dbraw/zinc/64/75/26/393647526.db2.gz QUMUEOJMXSIGEO-LBPRGKRZSA-N 1 0 267.376 2.972 40 0 CFABRO CCN(CC)c1ccc([C@H]([NH3+])c2ccccc2)cn1 ZINC000072225266 393647799 /nfs/dbraw/zinc/64/77/99/393647799.db2.gz UNOYQJOXIMRGOG-MRXNPFEDSA-N 1 0 255.365 2.976 40 0 CFABRO COCC[NH+]1CCC(c2nc3cc(C)ccc3[nH]2)CC1 ZINC000072367888 393650371 /nfs/dbraw/zinc/65/03/71/393650371.db2.gz OMICOPNEAIWZQB-UHFFFAOYSA-N 1 0 273.380 2.697 40 0 CFABRO O=C(c1ccco1)N1CC[C@@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000238927867 393796928 /nfs/dbraw/zinc/79/69/28/393796928.db2.gz UUOLSNIQAIHWIK-MRXNPFEDSA-N 1 0 296.370 2.552 40 0 CFABRO C[C@H]([C@H]([NH3+])c1ccc(-c2ccccc2)cc1)S(C)(=O)=O ZINC000096524772 393838192 /nfs/dbraw/zinc/83/81/92/393838192.db2.gz HANFIRGTYIBHNI-WBMJQRKESA-N 1 0 289.400 2.787 40 0 CFABRO O=C(c1ccc(Cl)cc1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000096157168 393815906 /nfs/dbraw/zinc/81/59/06/393815906.db2.gz XVZNMNIJBPUELU-UHFFFAOYSA-N 1 0 292.810 2.946 40 0 CFABRO COc1ccc2[nH]cc([C@@H](C[NH3+])C(F)(F)F)c2c1 ZINC000096529460 393839181 /nfs/dbraw/zinc/83/91/81/393839181.db2.gz YHPYNBOYWGJINZ-SNVBAGLBSA-N 1 0 258.243 2.781 40 0 CFABRO Cc1ccc(NC(=S)NC23CC[NH+](CC2)CC3)cc1 ZINC000027642728 292160686 /nfs/dbraw/zinc/16/06/86/292160686.db2.gz DMLKEIGMAZNJCE-UHFFFAOYSA-N 1 0 275.421 2.520 40 0 CFABRO COc1ccc(N2[NH+]=C(N)C[C@@H]2c2ccccc2)cc1 ZINC000039384974 286325832 /nfs/dbraw/zinc/32/58/32/286325832.db2.gz DZESEKOIZAUVIB-OAHLLOKOSA-N 1 0 267.332 2.919 40 0 CFABRO C[NH2+][C@@H]([C@H](C)OC(=O)c1ccc(N)cc1)C1CCCCC1 ZINC000001710499 169747567 /nfs/dbraw/zinc/74/75/67/169747567.db2.gz LHSHUWZYCPAWMO-LRDDRELGSA-N 1 0 290.407 2.982 40 0 CFABRO CC[C@H](OC[C@H](O)C[NH+]1CCCC1)c1ccccc1 ZINC000002694614 169820731 /nfs/dbraw/zinc/82/07/31/169820731.db2.gz NMHSHAPLNHLFCO-CVEARBPZSA-N 1 0 263.381 2.611 40 0 CFABRO CC(C)CC(=O)OC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000005384163 170092764 /nfs/dbraw/zinc/09/27/64/170092764.db2.gz XDCAWKGUGMQZGF-ZIAGYGMSSA-N 1 0 253.386 2.840 40 0 biogenic,in-vitro CFABRO Cc1ccc(OC[C@H](O)C[NH+]2CCCCCC2)cc1 ZINC000005752596 170136930 /nfs/dbraw/zinc/13/69/30/170136930.db2.gz CTDAUTYJSJGOMT-OAHLLOKOSA-N 1 0 263.381 2.611 40 0 CFABRO CC(=O)O[C@H]1[C@@H]2CCC[C@H]1CC[C@@H]2[NH+]1CCCC1 ZINC000006576702 170214699 /nfs/dbraw/zinc/21/46/99/170214699.db2.gz LCESFZPIVFLOLG-LJISPDSOSA-N 1 0 251.370 2.593 40 0 CFABRO Cc1ccccc1C[NH+]1CCC(C(=O)NCC(C)C)CC1 ZINC000009062867 170362891 /nfs/dbraw/zinc/36/28/91/170362891.db2.gz RRUBYDKJWDOQAH-UHFFFAOYSA-N 1 0 288.435 2.979 40 0 CFABRO Cc1ccc(NC(=S)NC[C@@H]2CCC[N@@H+](C)C2)cc1C ZINC000009876169 170388187 /nfs/dbraw/zinc/38/81/87/170388187.db2.gz XSVCIOUIWRIACG-AWEZNQCLSA-N 1 0 291.464 2.932 40 0 CFABRO CCC(=O)N1CC[C@H](c2ccccc2)[C@H]2[NH2+]CCCC[C@H]21 ZINC000019499016 170814740 /nfs/dbraw/zinc/81/47/40/170814740.db2.gz KAZKVDIGMWYDAD-JFIYKMOQSA-N 1 0 286.419 2.923 40 0 CFABRO CCCCOc1ccc(C[NH2+]CCCOC)cc1 ZINC000020142863 171028611 /nfs/dbraw/zinc/02/86/11/171028611.db2.gz LSNSENUGULOCDF-UHFFFAOYSA-N 1 0 251.370 2.992 40 0 CFABRO [NH3+]Cc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1 ZINC000020224343 171086785 /nfs/dbraw/zinc/08/67/85/171086785.db2.gz LZKOIJWBMQCZMV-UHFFFAOYSA-N 1 0 290.750 2.816 40 0 CFABRO CC1CC[NH+](Cc2ccc(C(=O)NC3CC3)cc2)CC1 ZINC000020493419 171226825 /nfs/dbraw/zinc/22/68/25/171226825.db2.gz FELGMYJCOJCOKL-UHFFFAOYSA-N 1 0 272.392 2.811 40 0 CFABRO CCOc1cc(C[NH2+]C2CCCCC2)ccc1OCCO ZINC000020934499 171280916 /nfs/dbraw/zinc/28/09/16/171280916.db2.gz NGKUCRUUUQRXCJ-UHFFFAOYSA-N 1 0 293.407 2.879 40 0 CFABRO O=C(c1ccc(Cl)cc1)N1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC000033426313 171793522 /nfs/dbraw/zinc/79/35/22/171793522.db2.gz SVKUIIAVAWHVQZ-MRXNPFEDSA-N 1 0 292.810 2.946 40 0 CFABRO CSc1ccc(NC(=O)NCC[NH+]2CCCC2)cc1 ZINC000035311685 172122924 /nfs/dbraw/zinc/12/29/24/172122924.db2.gz NNOVENYWQXZTEI-UHFFFAOYSA-N 1 0 279.409 2.626 40 0 CFABRO c1ccc2[nH]c([C@H]3CC[N@@H+](Cc4cccnc4)C3)nc2c1 ZINC000035446648 172202610 /nfs/dbraw/zinc/20/26/10/172202610.db2.gz HZMNOIDMRYRMNR-AWEZNQCLSA-N 1 0 278.359 2.947 40 0 biogenic,in-vitro CFABRO Clc1nc2ccccc2nc1NC[C@@H]1CCC[NH2+]C1 ZINC000040434387 174261185 /nfs/dbraw/zinc/26/11/85/174261185.db2.gz WWVJFVJVQQBPFY-SNVBAGLBSA-N 1 0 276.771 2.695 40 0 CFABRO CC(C)[C@@H](C[NH+]1CCCC1)NC(=O)OC(C)(C)C ZINC000044137583 175145947 /nfs/dbraw/zinc/14/59/47/175145947.db2.gz NQHBSFIBAKLDMJ-GFCCVEGCSA-N 1 0 256.390 2.632 40 0 CFABRO Clc1ccc(CN[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000072203569 176341459 /nfs/dbraw/zinc/34/14/59/176341459.db2.gz QUPHXMYPFMPSQU-SNVBAGLBSA-N 1 0 259.180 2.835 40 0 CFABRO Cc1ccsc1CN1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000072324472 176369851 /nfs/dbraw/zinc/36/98/51/176369851.db2.gz HBMBWBRSPONVQT-STQMWFEESA-N 1 0 250.411 2.725 40 0 CFABRO c1cn(-c2cncc(C3CC[NH+](C4CCCC4)CC3)n2)cn1 ZINC000072355516 176374656 /nfs/dbraw/zinc/37/46/56/176374656.db2.gz AYAVWLHKHUMLCI-UHFFFAOYSA-N 1 0 297.406 2.784 40 0 CFABRO Cc1cc(Nc2ncccn2)cc([C@H]2CCC[N@@H+](C)C2)n1 ZINC000072354273 176374914 /nfs/dbraw/zinc/37/49/14/176374914.db2.gz BICBSWDWRZJBIN-ZDUSSCGKSA-N 1 0 283.379 2.733 40 0 CFABRO Cc1cccc(Nc2cnc([C@H]3CCC[N@@H+](C)C3)cn2)n1 ZINC000072361550 176377544 /nfs/dbraw/zinc/37/75/44/176377544.db2.gz GIYJDXUIDTUTRS-ZDUSSCGKSA-N 1 0 283.379 2.733 40 0 CFABRO Fc1ccc(C[N@@H+]2CCC[C@@H](c3cnccn3)C2)cc1 ZINC000072363725 176378049 /nfs/dbraw/zinc/37/80/49/176378049.db2.gz AHXVBWUIIAMNCK-CQSZACIVSA-N 1 0 271.339 2.995 40 0 CFABRO CNc1cccc([C@H]2CCC[N@H+](Cc3ccncc3)C2)n1 ZINC000072363782 176378305 /nfs/dbraw/zinc/37/83/05/176378305.db2.gz YEQJEYGTOLJTHC-HNNXBMFYSA-N 1 0 282.391 2.898 40 0 CFABRO Cn1cc(C[N@@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)cn1 ZINC000072367982 176382311 /nfs/dbraw/zinc/38/23/11/176382311.db2.gz YKGVXZZEXJBHLP-AWEZNQCLSA-N 1 0 295.390 2.676 40 0 CFABRO CC(C)[N@@H+]1CCC[C@@H](c2ccnc(Nc3cnccn3)n2)C1 ZINC000072377465 176385945 /nfs/dbraw/zinc/38/59/45/176385945.db2.gz ZHGGZKSUPCWNGV-CYBMUJFWSA-N 1 0 298.394 2.598 40 0 CFABRO c1csc(C[C@@H]2CC[N@H+](Cc3ccccn3)C2)n1 ZINC000072381597 176387715 /nfs/dbraw/zinc/38/77/15/176387715.db2.gz NWDUODCQMOEIEX-LBPRGKRZSA-N 1 0 259.378 2.603 40 0 CFABRO Cc1cc(Nc2ncccn2)nc([C@H]2CCC[N@H+]2C(C)C)n1 ZINC000072382386 176388322 /nfs/dbraw/zinc/38/83/22/176388322.db2.gz HHAUJRQBLKKEJH-CYBMUJFWSA-N 1 0 298.394 2.864 40 0 CFABRO C[N@@H+]1CCC[C@H](c2ccc(NCC(F)F)cn2)C1 ZINC000072383421 176388901 /nfs/dbraw/zinc/38/89/01/176388901.db2.gz IAXGPXJCHMJSQL-JTQLQIEISA-N 1 0 255.312 2.568 40 0 CFABRO Cc1c(C[N@@H+]2CCC[C@H](Cc3nccs3)C2)cnn1C ZINC000072385656 176390332 /nfs/dbraw/zinc/39/03/32/176390332.db2.gz ZRICJUYRZZNPEQ-CYBMUJFWSA-N 1 0 290.436 2.640 40 0 CFABRO Fc1ccccc1Cc1cnc([C@H]2CCC[NH2+]2)cn1 ZINC000072386499 176391461 /nfs/dbraw/zinc/39/14/61/176391461.db2.gz MFMQDHHVDYUJPP-CQSZACIVSA-N 1 0 257.312 2.631 40 0 CFABRO c1ccc(CNc2cc([C@H]3CCC[NH2+]C3)ccn2)nc1 ZINC000072386482 176391878 /nfs/dbraw/zinc/39/18/78/176391878.db2.gz UTCOZCRXDLUPES-AWEZNQCLSA-N 1 0 268.364 2.556 40 0 CFABRO Cc1cc(C)n(-c2cccc(C[N@@H+]3CCC[C@@H](CO)C3)c2)n1 ZINC000072397853 176395549 /nfs/dbraw/zinc/39/55/49/176395549.db2.gz BYNJAADZIQNUMU-QGZVFWFLSA-N 1 0 299.418 2.693 40 0 CFABRO O=C(OCc1ccccc1)N(CC1CC[NH2+]CC1)C1CC1 ZINC000079437921 177490965 /nfs/dbraw/zinc/49/09/65/177490965.db2.gz NUSIJYQBSRLYFP-UHFFFAOYSA-N 1 0 288.391 2.787 40 0 CFABRO Cc1cc(C)nc(NCC[NH2+]C[C@H](C)c2ccccc2)n1 ZINC000062717879 262301877 /nfs/dbraw/zinc/30/18/77/262301877.db2.gz UUINBESEZLUDFS-ZDUSSCGKSA-N 1 0 284.407 2.899 40 0 CFABRO CC[NH+](CC)CCNC(=O)c1c(C)cc(C)cc1C ZINC000001680702 273636002 /nfs/dbraw/zinc/63/60/02/273636002.db2.gz MXTNBUZJIXEDRG-UHFFFAOYSA-N 1 0 262.397 2.683 40 0 CFABRO CC(C)Cn1c2ccc(Cl)cc2nc1CC[NH3+] ZINC000040417749 275604317 /nfs/dbraw/zinc/60/43/17/275604317.db2.gz GJXWZEPXSPZKEI-UHFFFAOYSA-N 1 0 251.761 2.847 40 0 CFABRO C[C@@H]([NH3+])c1nnc(-c2cccc(C(F)(F)F)c2)[nH]1 ZINC000061843941 278319337 /nfs/dbraw/zinc/31/93/37/278319337.db2.gz UJJQZDFRSDIZNT-ZCFIWIBFSA-N 1 0 256.231 2.510 40 0 CFABRO CC(C)(C)OC(=O)N1CCC([NH3+])(CC2CC2)CC1 ZINC000098213815 278381994 /nfs/dbraw/zinc/38/19/94/278381994.db2.gz CYPZOPZTJFGRNL-UHFFFAOYSA-N 1 0 254.374 2.515 40 0 CFABRO O=C1CC[C@@H]([NH2+]Cc2ccco2)[C@H](c2cccc(F)c2)N1 ZINC000072398318 280257264 /nfs/dbraw/zinc/25/72/64/280257264.db2.gz ULGRNHDVHMKFHO-ZBFHGGJFSA-N 1 0 288.322 2.528 40 0 CFABRO O=C(C[C@@H]1CC2(CC[NH2+]CC2)c2ccccc21)NC1CCC1 ZINC000306129983 295531952 /nfs/dbraw/zinc/53/19/52/295531952.db2.gz ITEYSZLKZREURQ-CQSZACIVSA-N 1 0 298.430 2.854 40 0 CFABRO Cc1cc(C)c2cc(C[NH2+]C3CCCC3)c3nnnn3c2c1 ZINC000012644821 327783538 /nfs/dbraw/zinc/78/35/38/327783538.db2.gz CHKYGCVCAGKANJ-UHFFFAOYSA-N 1 0 295.390 2.927 40 0 CFABRO Fc1ccc(N2CC[NH2+][C@@H]3CCCC[C@H]32)cc1F ZINC000218837324 333137094 /nfs/dbraw/zinc/13/70/94/333137094.db2.gz ZFYNMLCZUGFDGS-ZIAGYGMSSA-N 1 0 252.308 2.686 40 0 CFABRO COC[C@@]12CCCO[C@H]1CC[N@H+](Cc1cccs1)C2 ZINC000096038968 185069320 /nfs/dbraw/zinc/06/93/20/185069320.db2.gz PBHNFRYUBRNYML-GJZGRUSLSA-N 1 0 281.421 2.766 40 0 CFABRO Cc1ccc(CN2CC3(C2)CC[N@H+](Cc2ccncc2)C3)o1 ZINC000096046429 185071606 /nfs/dbraw/zinc/07/16/06/185071606.db2.gz MDKYMWZUWFQUHG-UHFFFAOYSA-N 1 0 297.402 2.691 40 0 CFABRO c1csc(CN2CCC3(CC[N@@H+](CC4CC4)C3)CC2)n1 ZINC000096046622 185071893 /nfs/dbraw/zinc/07/18/93/185071893.db2.gz VNOJBCFZBWJDQK-UHFFFAOYSA-N 1 0 291.464 2.841 40 0 CFABRO CC[C@@H]1[N@H+](Cc2ccsc2)CCC[C@]12CCC(=O)N2 ZINC000096052393 185074423 /nfs/dbraw/zinc/07/44/23/185074423.db2.gz HJKONKOJSGTKBJ-ZFWWWQNUSA-N 1 0 278.421 2.771 40 0 CFABRO COC[C@@]12CCCO[C@H]1CC[N@H+](Cc1ccc(F)cc1)C2 ZINC000096056717 185077895 /nfs/dbraw/zinc/07/78/95/185077895.db2.gz SNXMDLDSVAGHFS-IRXDYDNUSA-N 1 0 293.382 2.843 40 0 CFABRO CC[C@@H](C)[N@@H+]1CCc2ncnc(-c3ccncc3)c2CC1 ZINC000096066745 185083848 /nfs/dbraw/zinc/08/38/48/185083848.db2.gz DOIMRAFIFFPISM-CYBMUJFWSA-N 1 0 282.391 2.738 40 0 CFABRO O=C(c1ccncc1)N1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC000096063189 185084779 /nfs/dbraw/zinc/08/47/79/185084779.db2.gz RIHFTFALQHTUHQ-UHFFFAOYSA-N 1 0 299.418 2.562 40 0 CFABRO CC[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccc(C)o1)C2 ZINC000096071602 185087303 /nfs/dbraw/zinc/08/73/03/185087303.db2.gz BDKZFRWVFFNODQ-MRXNPFEDSA-N 1 0 262.397 2.896 40 0 CFABRO COc1ccc(C[C@H]2C[N@H+](C)CC[C@@H]2OCC2CC2)cc1 ZINC000096110617 185101323 /nfs/dbraw/zinc/10/13/23/185101323.db2.gz YKZMTDUCAUVMRZ-WMZOPIPTSA-N 1 0 289.419 2.985 40 0 CFABRO CC[C@@H](CO)[NH2+]Cc1ccc(-c2ccc([C@H](C)O)cc2)o1 ZINC000007540884 529514881 /nfs/dbraw/zinc/51/48/81/529514881.db2.gz VFCQVIIDFHIXJM-WFASDCNBSA-N 1 0 289.375 2.860 40 0 CFABRO Cc1cccnc1CN1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000086177839 179246660 /nfs/dbraw/zinc/24/66/60/179246660.db2.gz CXWXSZJRKWQXAG-QGZVFWFLSA-N 1 0 267.376 2.537 40 0 CFABRO CCOC(=O)[C@@H]1CC[NH2+][C@@H]1c1ccccc1C(F)(F)F ZINC000257197843 348305893 /nfs/dbraw/zinc/30/58/93/348305893.db2.gz KQIRECSLHNZWMI-ZYHUDNBSSA-N 1 0 287.281 2.919 40 0 CFABRO FC[C@H]1C[NH2+]C[C@@H]1c1ccc(Br)cc1 ZINC000409421940 348600393 /nfs/dbraw/zinc/60/03/93/348600393.db2.gz AEJNDIBUEHRHCY-GXSJLCMTSA-N 1 0 258.134 2.722 40 0 CFABRO CCc1ccc([C@@H]2C[NH2+]C[C@@H]2NC(=O)OC(C)(C)C)cc1 ZINC000409423368 348600687 /nfs/dbraw/zinc/60/06/87/348600687.db2.gz QHWKGZOOXVZJPV-GJZGRUSLSA-N 1 0 290.407 2.829 40 0 CFABRO CO[C@H]1CCC[N@H+](Cc2cc[nH]n2)[C@H]1Cc1ccccc1 ZINC000585268984 348738885 /nfs/dbraw/zinc/73/88/85/348738885.db2.gz GNRIBUCESPCKKU-IRXDYDNUSA-N 1 0 285.391 2.632 40 0 CFABRO Cc1ccccc1C(=O)N1CC[C@H]2[C@H]1CC[N@@H+]2CC1CC1 ZINC000585108116 348734360 /nfs/dbraw/zinc/73/43/60/348734360.db2.gz MLBYKIZTLVXBMS-DLBZAZTESA-N 1 0 284.403 2.694 40 0 CFABRO Cc1ccc(C[NH+]2CCC3(CCC(=O)NC3)CC2)cc1C ZINC000108530766 186221878 /nfs/dbraw/zinc/22/18/78/186221878.db2.gz ASOXWPKUSKVTDA-UHFFFAOYSA-N 1 0 286.419 2.796 40 0 CFABRO COc1ccc(C(=O)NCCC[NH+]2CCCC2)cc1Cl ZINC000224565528 539994243 /nfs/dbraw/zinc/99/42/43/539994243.db2.gz PIIROVOJBNTPPU-UHFFFAOYSA-N 1 0 296.798 2.564 40 0 CFABRO CC(C)Cn1cc(C[NH2+]CCc2ccccc2)cn1 ZINC000181754632 189306002 /nfs/dbraw/zinc/30/60/02/189306002.db2.gz CEVJPMUXGIYEJF-UHFFFAOYSA-N 1 0 257.381 2.871 40 0 CFABRO CCN(C(=O)OC(C)(C)C)[C@H]1CCOC2(CC[NH2+]CC2)C1 ZINC000257295229 284193999 /nfs/dbraw/zinc/19/39/99/284193999.db2.gz QXNFJZKEROJABI-ZDUSSCGKSA-N 1 0 298.427 2.545 40 0 CFABRO CC(C)(C)OC(=O)N1CCC([NH2+]Cc2cccnc2)CC1 ZINC000001495006 371676985 /nfs/dbraw/zinc/67/69/85/371676985.db2.gz IQMCTYWPKOUSOF-UHFFFAOYSA-N 1 0 291.395 2.571 40 0 CFABRO C[NH+](C)C[C@H](Oc1ccccc1)C(=O)c1ccccc1 ZINC000001648423 371692213 /nfs/dbraw/zinc/69/22/13/371692213.db2.gz ARJIYYSWFUYCFV-INIZCTEOSA-N 1 0 269.344 2.879 40 0 CFABRO CC(C)C(=O)OC1(Cc2cccc[n+]2C)CCCCC1 ZINC000001666106 371693430 /nfs/dbraw/zinc/69/34/30/371693430.db2.gz SZJMMBGOXPKJHR-UHFFFAOYSA-N 1 0 276.400 2.956 40 0 CFABRO CC[NH+](CC)CCOC(=O)c1cccc2[nH]ccc21 ZINC000001669263 371694288 /nfs/dbraw/zinc/69/42/88/371694288.db2.gz XTLVUFDKZXOWTO-UHFFFAOYSA-N 1 0 260.337 2.667 40 0 CFABRO CCCCCOC(=O)c1cccc(NC(=O)C[NH2+]CC)c1 ZINC000001671450 371695662 /nfs/dbraw/zinc/69/56/62/371695662.db2.gz NDBZYVQZLYOIIF-UHFFFAOYSA-N 1 0 292.379 2.582 40 0 CFABRO [NH3+][C@@H](c1ccccc1)c1ccc2c(c1)OCCCO2 ZINC000004255450 371846082 /nfs/dbraw/zinc/84/60/82/371846082.db2.gz BMIYJYQVIQRUFU-INIZCTEOSA-N 1 0 255.317 2.896 40 0 CFABRO CC(=O)c1ccccc1OC[C@@H](O)C[N@H+]1CCCC[C@@H]1C ZINC000004320467 371849067 /nfs/dbraw/zinc/84/90/67/371849067.db2.gz SJVQHTYMNXUMKQ-ZFWWWQNUSA-N 1 0 291.391 2.503 40 0 CFABRO Cc1cccc(OC[C@H](O)C[NH+]2CCCCC2)c1C ZINC000004304967 371849464 /nfs/dbraw/zinc/84/94/64/371849464.db2.gz YMIPAHJVTDIEJR-OAHLLOKOSA-N 1 0 263.381 2.529 40 0 CFABRO CCc1ccc(C[C@@]2(O)C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000004342785 371850846 /nfs/dbraw/zinc/85/08/46/371850846.db2.gz CZHRRKKPZIBEFS-ZQIUZPCESA-N 1 0 261.409 2.883 40 0 CFABRO CC(=O)O[C@H]1CC[N@@H+](CCc2ccccc2)[C@@H](C)[C@H]1C ZINC000004601844 371868497 /nfs/dbraw/zinc/86/84/97/371868497.db2.gz YNNDIBSJMPQCKB-KEYYUXOJSA-N 1 0 275.392 2.891 40 0 CFABRO CCc1ccc(CCC(=O)NCC[NH+]2CCCCC2)cc1 ZINC000010334326 371906700 /nfs/dbraw/zinc/90/67/00/371906700.db2.gz FFHJPEYZZPPVMO-UHFFFAOYSA-N 1 0 288.435 2.784 40 0 CFABRO O=C(Nc1ccc(Oc2cccnc2)cc1)[C@@H]1CCC[NH2+]1 ZINC000012118017 371946334 /nfs/dbraw/zinc/94/63/34/371946334.db2.gz WRGBTEORNJULAD-HNNXBMFYSA-N 1 0 283.331 2.564 40 0 CFABRO FC(F)(F)c1ccc2c(c1)ncn2C1CC[NH2+]CC1 ZINC000013471164 372028113 /nfs/dbraw/zinc/02/81/13/372028113.db2.gz BSWXCVBEIYLISE-UHFFFAOYSA-N 1 0 269.270 2.980 40 0 CFABRO Cc1ccsc1C[N@H+](Cc1ccccn1)C[C@@H](C)O ZINC000013991500 372057096 /nfs/dbraw/zinc/05/70/96/372057096.db2.gz FSDYLPOACAVJDZ-CYBMUJFWSA-N 1 0 276.405 2.835 40 0 CFABRO Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000016758577 372119574 /nfs/dbraw/zinc/11/95/74/372119574.db2.gz UOIGYKBOEWYLBQ-SFHVURJKSA-N 1 0 297.398 2.793 40 0 CFABRO O=C(Nc1cccc(C(F)(F)F)c1)C1CC[NH2+]CC1 ZINC000019413298 372161619 /nfs/dbraw/zinc/16/16/19/372161619.db2.gz UNKFWUMUXGNJEM-UHFFFAOYSA-N 1 0 272.270 2.644 40 0 CFABRO [NH3+]C[C@@H](c1ccccc1Br)N1CCCCC1 ZINC000019484838 372168634 /nfs/dbraw/zinc/16/86/34/372168634.db2.gz KKFPURSJCLJUBR-ZDUSSCGKSA-N 1 0 283.213 2.935 40 0 CFABRO CCC(=O)N1c2ccccc2-n2cccc2C12CC[NH2+]CC2 ZINC000019499226 372170479 /nfs/dbraw/zinc/17/04/79/372170479.db2.gz HBABINVUIXEWEL-UHFFFAOYSA-N 1 0 295.386 2.813 40 0 CFABRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)C1CCCC1 ZINC000029838670 372387313 /nfs/dbraw/zinc/38/73/13/372387313.db2.gz IMHRTWADBRIHQA-UHFFFAOYSA-N 1 0 286.419 2.741 40 0 CFABRO [NH3+][C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2)C1 ZINC000041027969 372805091 /nfs/dbraw/zinc/80/50/91/372805091.db2.gz BYDYBGYPCVRCEZ-GFCCVEGCSA-N 1 0 259.180 2.917 40 0 CFABRO CCN(CC)CC[NH2+]CCOc1c(C)cccc1C ZINC000041379468 372835552 /nfs/dbraw/zinc/83/55/52/372835552.db2.gz NUSAQEPHZUUHRB-UHFFFAOYSA-N 1 0 264.413 2.614 40 0 CFABRO Fc1ccc2oc([C@H]3CC[N@@H+](C4CCOCC4)C3)nc2c1 ZINC000049169154 373273198 /nfs/dbraw/zinc/27/31/98/373273198.db2.gz HZMHKQBAJIRBMY-NSHDSACASA-N 1 0 290.338 2.935 40 0 biogenic,in-vitro CFABRO CC(C)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000052527963 373444359 /nfs/dbraw/zinc/44/43/59/373444359.db2.gz ZIEADTVYWQJXBU-UHFFFAOYSA-N 1 0 274.408 2.945 40 0 CFABRO COc1ccc(C2(O)CC[NH+](C(C)C)CC2)cc1F ZINC000055261630 373546822 /nfs/dbraw/zinc/54/68/22/373546822.db2.gz OFQJOGFHJAEUQI-UHFFFAOYSA-N 1 0 267.344 2.526 40 0 CFABRO Cn1cc(C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)cn1 ZINC000057605210 373602384 /nfs/dbraw/zinc/60/23/84/373602384.db2.gz IMEQMPWUCXQWFC-QGZVFWFLSA-N 1 0 285.391 2.601 40 0 CFABRO O=C(c1ccc(-c2ccccc2)cc1)N1CCC[NH2+]CC1 ZINC000067796696 374002376 /nfs/dbraw/zinc/00/23/76/374002376.db2.gz DYSUUBQDJKVZRG-UHFFFAOYSA-N 1 0 280.371 2.789 40 0 CFABRO Cc1nnc(Nc2cccc([C@H]3CCC[N@@H+](C)C3)n2)s1 ZINC000072375912 374247334 /nfs/dbraw/zinc/24/73/34/374247334.db2.gz YBOBPTXQUIYEHL-NSHDSACASA-N 1 0 289.408 2.794 40 0 CFABRO C[NH+]1CCC(CC(=O)NCc2ccc(Cl)cc2)CC1 ZINC000074920917 374446625 /nfs/dbraw/zinc/44/66/25/374446625.db2.gz CFVPFYASBHEFCD-UHFFFAOYSA-N 1 0 280.799 2.688 40 0 CFABRO C[NH+]1CCC(CC(=O)Nc2ccc(F)cc2F)CC1 ZINC000074921060 374446799 /nfs/dbraw/zinc/44/67/99/374446799.db2.gz SJXFFBBNYPKVHP-UHFFFAOYSA-N 1 0 268.307 2.635 40 0 CFABRO C[NH+]1CCC(CC(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000074921088 374447385 /nfs/dbraw/zinc/44/73/85/374447385.db2.gz YHAFSSMRDXYKCM-UHFFFAOYSA-N 1 0 268.307 2.635 40 0 CFABRO CC(C)N(C(=O)[C@H](C)[NH3+])[C@H](C)c1cccc(Cl)c1 ZINC000079421225 374609174 /nfs/dbraw/zinc/60/91/74/374609174.db2.gz ZPQWAPLYNZJDNE-WDEREUQCSA-N 1 0 268.788 2.985 40 0 CFABRO CC(C)[N@@H+](Cc1ccccc1)C[C@@H]1CCCCN1CCO ZINC000079414311 374609628 /nfs/dbraw/zinc/60/96/28/374609628.db2.gz PZZFPJQZGJDJJO-SFHVURJKSA-N 1 0 290.451 2.744 40 0 CFABRO C[C@H]([NH3+])C(=O)N(Cc1ccc(Cl)cc1Cl)C1CC1 ZINC000079420326 374609907 /nfs/dbraw/zinc/60/99/07/374609907.db2.gz JKMSWRILCUXEOJ-QMMMGPOBSA-N 1 0 287.190 2.832 40 0 CFABRO CC[NH2+]C[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079437174 374611837 /nfs/dbraw/zinc/61/18/37/374611837.db2.gz FXHCLJQYVJFUPU-HNNXBMFYSA-N 1 0 276.380 2.645 40 0 CFABRO CC[NH2+][C@H]1CCCC[C@H]1NC(=O)OCc1ccccc1 ZINC000079437202 374612293 /nfs/dbraw/zinc/61/22/93/374612293.db2.gz IWDCYRRMPHXLBJ-LSDHHAIUSA-N 1 0 276.380 2.834 40 0 CFABRO CC(C)Oc1ccc(NC(=O)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000082331899 374737123 /nfs/dbraw/zinc/73/71/23/374737123.db2.gz QOCDGQAIQKSARF-CYBMUJFWSA-N 1 0 276.380 2.754 40 0 CFABRO C[N@@H+]1CCC[C@H]1C1=CCCN(Cc2ccccc2)C1 ZINC000095097614 375416015 /nfs/dbraw/zinc/41/60/15/375416015.db2.gz BGINDFUNNUXUQT-KRWDZBQOSA-N 1 0 256.393 2.913 40 0 CFABRO COC[C@@H]1Cn2nccc2C[N@H+](CC2CCCCC2)C1 ZINC000096188916 375475688 /nfs/dbraw/zinc/47/56/88/375475688.db2.gz SXKGFLMBAFVEDV-HNNXBMFYSA-N 1 0 277.412 2.542 40 0 CFABRO CCOC[C@@H]1CCC2(CCN(Cc3ccco3)CC2)[N@@H+]1C ZINC000096209497 375477376 /nfs/dbraw/zinc/47/73/76/375477376.db2.gz KHWUZVCPBWUCPN-HNNXBMFYSA-N 1 0 292.423 2.745 40 0 CFABRO CC[N@@H+]1CC[C@@]2(C1)CCCN(CCOc1ccccc1)C2 ZINC000096216416 375478855 /nfs/dbraw/zinc/47/88/55/375478855.db2.gz YXZSOCIJBQPNQI-GOSISDBHSA-N 1 0 288.435 2.873 40 0 CFABRO COCC[C@H]1CO[C@]2(CC[N@H+](CCc3ccccc3)C2)C1 ZINC000096218255 375479186 /nfs/dbraw/zinc/47/91/86/375479186.db2.gz CJGSUPVBJMPBTM-QZTJIDSGSA-N 1 0 289.419 2.747 40 0 CFABRO CC[N@@H+]1C[C@H](COC)[C@]2(CCN(Cc3cccs3)C2)C1 ZINC000096217287 375479475 /nfs/dbraw/zinc/47/94/75/375479475.db2.gz QJPZPSHNZKPRCW-GDBMZVCRSA-N 1 0 294.464 2.538 40 0 CFABRO CO[C@@H]1CC[N@H+](Cc2cccc(Cl)c2)[C@H]2CCO[C@@H]21 ZINC000096220146 375479602 /nfs/dbraw/zinc/47/96/02/375479602.db2.gz FFRHTCDPMAPOEV-ZNMIVQPWSA-N 1 0 281.783 2.718 40 0 CFABRO CC[NH+]1CCC2(C=C(C(=O)NC3CC3)c3ccccc32)CC1 ZINC000096241621 375481153 /nfs/dbraw/zinc/48/11/53/375481153.db2.gz OCAURYMSZQETMS-UHFFFAOYSA-N 1 0 296.414 2.716 40 0 CFABRO CC[NH+](CC)CCNCc1cc(C2CC2)nn1C(C)C ZINC000256054430 190005374 /nfs/dbraw/zinc/00/53/74/190005374.db2.gz WFLIRFWLITXJBK-UHFFFAOYSA-N 1 0 278.444 2.773 40 0 CFABRO CCn1cc(C[NH2+]Cc2cn(C(C)C)nc2C)c(C)n1 ZINC000256051300 190003508 /nfs/dbraw/zinc/00/35/08/190003508.db2.gz IPDSZECURQFVSL-UHFFFAOYSA-N 1 0 275.400 2.587 40 0 CFABRO CC(C)Cn1nccc1C[NH2+]CCc1ccccc1 ZINC000256052739 190004084 /nfs/dbraw/zinc/00/40/84/190004084.db2.gz OLSPYAHQGXNKQG-UHFFFAOYSA-N 1 0 257.381 2.871 40 0 CFABRO COc1cccc(C[NH2+]Cc2ccnn2C(F)F)c1 ZINC000256053114 190004617 /nfs/dbraw/zinc/00/46/17/190004617.db2.gz QBYWRBDMKISPDM-UHFFFAOYSA-N 1 0 267.279 2.577 40 0 CFABRO CCC(=O)N1N=C2[C@H]([C@@H]1c1ccco1)[C@@H](C)[N@H+](C)C[C@@H]2C ZINC000101236055 375633953 /nfs/dbraw/zinc/63/39/53/375633953.db2.gz URLGZASRDBGECB-CIGZNWKYSA-N 1 0 289.379 2.515 40 0 CFABRO CCn1cc(C[NH2+]Cc2cn(C3CCCC3)nc2C)cn1 ZINC000256054352 190005517 /nfs/dbraw/zinc/00/55/17/190005517.db2.gz VYZGWEWQRKMTCN-UHFFFAOYSA-N 1 0 287.411 2.813 40 0 CFABRO CC(C)OCCC[NH2+]Cc1cnn(C2CCCC2)c1 ZINC000256055258 190005564 /nfs/dbraw/zinc/00/55/64/190005564.db2.gz ZXZPOSXTJZXSHV-UHFFFAOYSA-N 1 0 265.401 2.903 40 0 CFABRO COc1ccc(Oc2cccc([C@@H]3C[NH2+]CCO3)n2)cc1 ZINC000257197703 190010248 /nfs/dbraw/zinc/01/02/48/190010248.db2.gz GTEORMYQZJOYMP-HNNXBMFYSA-N 1 0 286.331 2.543 40 0 CFABRO Cn1cc(C[N@@H+]2C[C@@H]3C[C@@H](Oc4ccccc4)C[C@@H]3C2)cn1 ZINC000257222180 190014700 /nfs/dbraw/zinc/01/47/00/190014700.db2.gz DSGZBPIZJFUBEQ-VQFNDLOPSA-N 1 0 297.402 2.710 40 0 CFABRO Cc1ccc(C[C@@H]2CC[N@H+](Cc3ccncc3)C2)nc1 ZINC000257222490 190014794 /nfs/dbraw/zinc/01/47/94/190014794.db2.gz DTLWHFDTIZYWQQ-INIZCTEOSA-N 1 0 267.376 2.850 40 0 CFABRO CC(C)[NH+]1CCC(c2ccnc(Nc3cnccn3)n2)CC1 ZINC000257221931 190015071 /nfs/dbraw/zinc/01/50/71/190015071.db2.gz DREQRWMGPJJQAL-UHFFFAOYSA-N 1 0 298.394 2.598 40 0 CFABRO CC(=O)NCc1cccc([C@@H]2CCC[N@@H+]2CC2CCC2)n1 ZINC000257238103 190017724 /nfs/dbraw/zinc/01/77/24/190017724.db2.gz HJPVFLMKYXXGHJ-KRWDZBQOSA-N 1 0 287.407 2.655 40 0 CFABRO C[NH+]1CCC(CCc2ccnc(Nc3ncccn3)c2)CC1 ZINC000257247137 190019069 /nfs/dbraw/zinc/01/90/69/190019069.db2.gz IXRFZEQDPUVZQI-UHFFFAOYSA-N 1 0 297.406 2.890 40 0 CFABRO COc1cccc(Cc2cnc([C@H]3CCC[NH2+]3)o2)c1 ZINC000257246545 190019189 /nfs/dbraw/zinc/01/91/89/190019189.db2.gz IUQDLACROLWIQV-CQSZACIVSA-N 1 0 258.321 2.699 40 0 CFABRO Cc1cc(CC[C@@H]2CCC[N@@H+]2C2CCOCC2)ccn1 ZINC000257251277 190020367 /nfs/dbraw/zinc/02/03/67/190020367.db2.gz JQBYDFMKDVHZIJ-INIZCTEOSA-N 1 0 274.408 2.966 40 0 CFABRO CC(C)[N@@H+]1CCC[C@H](Cc2cnc(-c3cc[nH]n3)cn2)C1 ZINC000257265276 190023278 /nfs/dbraw/zinc/02/32/78/190023278.db2.gz LXYUPKLWGKUZEJ-CYBMUJFWSA-N 1 0 285.395 2.530 40 0 CFABRO Fc1cccc(C[N@@H+]2CCC[C@H](c3ccncn3)C2)c1 ZINC000257261350 190022021 /nfs/dbraw/zinc/02/20/21/190022021.db2.gz LGYTULICYDHXKM-AWEZNQCLSA-N 1 0 271.339 2.995 40 0 CFABRO CO[C@H]1C[N@H+](Cc2ccc3cc[nH]c3c2)C[C@@]12CCCO2 ZINC000257260243 190022285 /nfs/dbraw/zinc/02/22/85/190022285.db2.gz LBYJTLCXPLCRGW-IRXDYDNUSA-N 1 0 286.375 2.548 40 0 CFABRO Cc1c(C[N@@H+]2CCC[C@H](Cc3cccc(C)n3)C2)cnn1C ZINC000257291788 190027498 /nfs/dbraw/zinc/02/74/98/190027498.db2.gz QIPRWENYUQMMJM-MRXNPFEDSA-N 1 0 298.434 2.887 40 0 CFABRO CCCn1nccc1-c1nccnc1C[C@@H]1CCC[N@H+](C)C1 ZINC000257270093 190024278 /nfs/dbraw/zinc/02/42/78/190024278.db2.gz MSSUNTYCABWKFC-AWEZNQCLSA-N 1 0 299.422 2.634 40 0 CFABRO Cc1cnccc1C[N@H+]1CCC[C@H](c2ccnc(C)n2)C1 ZINC000257273946 190024391 /nfs/dbraw/zinc/02/43/91/190024391.db2.gz NIXFBXGDHQRELT-INIZCTEOSA-N 1 0 282.391 2.868 40 0 CFABRO CCc1nnc(Nc2cccc(C3CC[NH2+]CC3)n2)s1 ZINC000257290483 190028011 /nfs/dbraw/zinc/02/80/11/190028011.db2.gz QDCSAMPIKPCCEZ-UHFFFAOYSA-N 1 0 289.408 2.706 40 0 CFABRO Cc1nc(Nc2cccc([C@H]3C[NH2+]CCO3)n2)sc1C ZINC000257298823 190028972 /nfs/dbraw/zinc/02/89/72/190028972.db2.gz RNKOCVMDXVRWFD-GFCCVEGCSA-N 1 0 290.392 2.559 40 0 CFABRO Cc1nc(-c2ccnn2C(C)C)cc([C@H]2CCC[NH2+]C2)n1 ZINC000257300042 190029871 /nfs/dbraw/zinc/02/98/71/190029871.db2.gz RSQMVYHWBCWVTE-ZDUSSCGKSA-N 1 0 285.395 2.696 40 0 CFABRO O=C(Cc1ccccc1F)N1CCC[C@H]2[NH2+]CCCC[C@@H]21 ZINC000257305738 190030819 /nfs/dbraw/zinc/03/08/19/190030819.db2.gz SRHIYXOJXBBLGU-CVEARBPZSA-N 1 0 290.382 2.501 40 0 CFABRO CC1(c2ncc(Cl)s2)CC[NH+]([C@@H]2CCOC2)CC1 ZINC000257312923 190032346 /nfs/dbraw/zinc/03/23/46/190032346.db2.gz UQEWJOIDQGNOTN-SNVBAGLBSA-N 1 0 286.828 2.939 40 0 CFABRO c1cc([C@H]2CC[N@@H+](Cc3ccccc3N3CCCC3)C2)n[nH]1 ZINC000257316203 190032750 /nfs/dbraw/zinc/03/27/50/190032750.db2.gz VEOWPRNIFQNVBW-HNNXBMFYSA-N 1 0 296.418 2.999 40 0 CFABRO CCCn1cc(C[NH2+]Cc2cccc(OC)c2)cn1 ZINC000116912405 376215682 /nfs/dbraw/zinc/21/56/82/376215682.db2.gz PELWRABKWQYTPV-UHFFFAOYSA-N 1 0 259.353 2.592 40 0 CFABRO COCC[C@H]1CO[C@H]2C[N@H+](Cc3cc(C)ccc3C)C[C@@H]12 ZINC000306127500 382452667 /nfs/dbraw/zinc/45/26/67/382452667.db2.gz GADGHSYVZDXOPC-SZMVWBNQSA-N 1 0 289.419 2.787 40 0 CFABRO C[C@@H](C[NH2+][C@@H]1C[C@@H](c2ccccc2)C1(C)C)[S@@](C)=O ZINC000195565469 382769673 /nfs/dbraw/zinc/76/96/73/382769673.db2.gz HXSVPSZVPPTQOA-JLMZAJLHSA-N 1 0 279.449 2.925 40 0 CFABRO Cc1c(-c2cccc(C(F)(F)F)c2)[nH+]c(N)n1C ZINC000199560522 382771913 /nfs/dbraw/zinc/77/19/13/382771913.db2.gz ORBLUFHOGHFBNT-UHFFFAOYSA-N 1 0 255.243 2.997 40 0 CFABRO Cc1c(-c2ccccc2C(F)(F)F)[nH+]c(N)n1C ZINC000199560104 382772075 /nfs/dbraw/zinc/77/20/75/382772075.db2.gz QAKFOELPWFBFOY-UHFFFAOYSA-N 1 0 255.243 2.997 40 0 CFABRO COCC[NH2+]Cc1cc(C)n(Cc2ccccc2)c1C ZINC000223661723 382806169 /nfs/dbraw/zinc/80/61/69/382806169.db2.gz IROVIUYEMPKZFS-UHFFFAOYSA-N 1 0 272.392 2.889 40 0 CFABRO CC[C@@H](C)[N@@H+]1CC[C@]2(C1)CCCN(c1ccc(C)nn1)C2 ZINC000247924459 383200267 /nfs/dbraw/zinc/20/02/67/383200267.db2.gz OUSXKZPZYZMLOP-WBVHZDCISA-N 1 0 288.439 2.876 40 0 CFABRO C[N@H+](Cc1cccnc1)[C@H]1CCCN(c2ccccn2)C1 ZINC000257200583 383492902 /nfs/dbraw/zinc/49/29/02/383492902.db2.gz ADXNZWQAFNHYNW-INIZCTEOSA-N 1 0 282.391 2.577 40 0 CFABRO COc1cc([C@@H](C)[NH2+][C@H](C)[C@@H]2CCOC2)ccc1F ZINC000096489391 533120434 /nfs/dbraw/zinc/12/04/34/533120434.db2.gz FLOAITLRNRQRGY-NQBHXWOUSA-N 1 0 267.344 2.910 40 0 CFABRO Cc1nc(N2CCc3ccccc3C2)ccc1[C@@H](C)[NH3+] ZINC000072224937 256704157 /nfs/dbraw/zinc/70/41/57/256704157.db2.gz QUMUEOJMXSIGEO-GFCCVEGCSA-N 1 0 267.376 2.972 40 0 CFABRO Cc1ccc(C[N@H+]2CC[C@]3(C2)c2ccccc2N(C)C3=O)o1 ZINC000096244804 256830869 /nfs/dbraw/zinc/83/08/69/256830869.db2.gz PRIJEEJFLAIHRS-SFHVURJKSA-N 1 0 296.370 2.708 40 0 CFABRO CC(C)[N@@H+]1CC[C@]2(c3ccccc3)CCN(C)[C@@H]2C1 ZINC000096251810 256834850 /nfs/dbraw/zinc/83/48/50/256834850.db2.gz QAUBHKPALPHLRH-SJORKVTESA-N 1 0 258.409 2.743 40 0 CFABRO O[C@@H](COc1ccccc1Cl)C[NH+]1CCCCC1 ZINC000006495751 393464061 /nfs/dbraw/zinc/46/40/61/393464061.db2.gz GCSJPQCYLOSWBR-GFCCVEGCSA-N 1 0 269.772 2.566 40 0 CFABRO CC1(c2nc(-c3ccc(F)cc3)no2)CC[NH2+]CC1 ZINC000062843260 393628884 /nfs/dbraw/zinc/62/88/84/393628884.db2.gz SMUHENXNWJFICO-UHFFFAOYSA-N 1 0 261.300 2.517 40 0 CFABRO CC(C)C[N@@H+]1CCC[C@H]1c1cccnc1N1CCOCC1 ZINC000072216226 393645515 /nfs/dbraw/zinc/64/55/15/393645515.db2.gz LUVBYXBQKCXKQL-INIZCTEOSA-N 1 0 289.423 2.711 40 0 CFABRO Cc1cc([C@H]2CCC[N@H+]2C(C)C)cnc1N1CCOCC1 ZINC000072219340 393646644 /nfs/dbraw/zinc/64/66/44/393646644.db2.gz MUKUFVKENFKNDN-MRXNPFEDSA-N 1 0 289.423 2.772 40 0 CFABRO CC(C)C[N@@H+]1CC[C@@]2(C1)Cc1ccccc1NC2=O ZINC000096062830 393816326 /nfs/dbraw/zinc/81/63/26/393816326.db2.gz QAUPEWYQXCTZMC-INIZCTEOSA-N 1 0 258.365 2.529 40 0 CFABRO c1c(-c2ccccc2)nc2n1C[C@H](C[NH2+]C1CCCC1)OC2 ZINC000096296292 393818611 /nfs/dbraw/zinc/81/86/11/393818611.db2.gz MCCVYYQPJAGMNE-INIZCTEOSA-N 1 0 297.402 2.981 40 0 biogenic,in-vitro CFABRO CCC(=O)N1N=C2[C@H]([C@H]1c1ccco1)[C@@H](C)[N@H+](C)C[C@@H]2C ZINC000101236063 393847846 /nfs/dbraw/zinc/84/78/46/393847846.db2.gz URLGZASRDBGECB-KYXHQGGESA-N 1 0 289.379 2.515 40 0 CFABRO C[NH+](C)C[C@@H](O)CCO[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C ZINC000035075046 289189589 /nfs/dbraw/zinc/18/95/89/289189589.db2.gz LIRXPXDQDPBLEQ-CTASWTNQSA-N 1 0 269.429 2.530 40 0 CFABRO CC(C)[NH2+]C[C@@H](O)CO[C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000003864468 169917770 /nfs/dbraw/zinc/91/77/70/169917770.db2.gz IXLSSBPTUXEGSB-LVQVYYBASA-N 1 0 271.445 2.823 40 0 CFABRO C[C@H](O)CC[NH2+][C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000004777570 170015633 /nfs/dbraw/zinc/01/56/33/170015633.db2.gz YEUANSOODKQTER-JCGIZDLHSA-N 1 0 285.387 2.822 40 0 CFABRO COc1ccc(C(=O)O[C@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000004785705 170017233 /nfs/dbraw/zinc/01/72/33/170017233.db2.gz DXLIAGZRNHJCQN-XUJVJEKNSA-N 1 0 277.364 2.581 40 0 CFABRO CC(C)[C@H](c1nnnn1CCc1ccccc1)[NH+]1CCCC1 ZINC000004860141 170032199 /nfs/dbraw/zinc/03/21/99/170032199.db2.gz ITFKALNXSUPLSL-MRXNPFEDSA-N 1 0 299.422 2.709 40 0 CFABRO C[N@H+]1[C@@H](c2ccccc2)CC(=O)NC[C@@H]1c1ccccc1 ZINC000004963748 170045848 /nfs/dbraw/zinc/04/58/48/170045848.db2.gz BBZYRNUKBWYENE-IAGOWNOFSA-N 1 0 280.371 2.921 40 0 CFABRO COc1cc(OC)c(OC)cc1/C=C/c1cccc[n+]1C ZINC000005002322 170053104 /nfs/dbraw/zinc/05/31/04/170053104.db2.gz AIOQKYFOFHFZMU-CMDGGOBGSA-N 1 0 286.351 2.707 40 0 CFABRO C[C@H]1C[C@H](C)C[NH+](C[C@H](O)COc2ccccc2F)C1 ZINC000006469209 170203206 /nfs/dbraw/zinc/20/32/06/170203206.db2.gz YFSDLIXTIDZVDO-IHRRRGAJSA-N 1 0 281.371 2.543 40 0 CFABRO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@H](O)COc1ccccc1F ZINC000006468248 170203349 /nfs/dbraw/zinc/20/33/49/170203349.db2.gz SYZNNDXAQKBPAB-MCIONIFRSA-N 1 0 281.371 2.828 40 0 CFABRO COc1ccc(Cl)cc1[C@H](O)C[NH+]1CCCCC1 ZINC000006484746 170205570 /nfs/dbraw/zinc/20/55/70/170205570.db2.gz ZGXCAOPGTZQGKW-CYBMUJFWSA-N 1 0 269.772 2.868 40 0 CFABRO Cc1ccc([C@@H](Cc2ccccc2)[NH2+]CCO)cc1 ZINC000006522687 170209533 /nfs/dbraw/zinc/20/95/33/170209533.db2.gz UOSZUNWHAUAYDN-QGZVFWFLSA-N 1 0 255.361 2.861 40 0 CFABRO [NH3+]CCc1c2cc(F)ccc2[nH]c1-c1cccnc1 ZINC000006732122 170236148 /nfs/dbraw/zinc/23/61/48/170236148.db2.gz YFJNMDYEUVDEGP-UHFFFAOYSA-N 1 0 255.296 2.870 40 0 CFABRO C[C@H]1[C@@H]([NH3+])CN1C(c1ccccc1)c1ccccc1 ZINC000034384362 171838002 /nfs/dbraw/zinc/83/80/02/171838002.db2.gz CJCQBRZYAQTEOO-BBRMVZONSA-N 1 0 252.361 2.807 40 0 CFABRO FC(F)(F)c1cccc(CNC2CC[NH2+]CC2)c1 ZINC000038040524 174041453 /nfs/dbraw/zinc/04/14/53/174041453.db2.gz GJHDVUNJAACMQR-UHFFFAOYSA-N 1 0 258.287 2.547 40 0 CFABRO CC(C)CNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038832377 174157219 /nfs/dbraw/zinc/15/72/19/174157219.db2.gz SHEBZWYOKDSFAP-MRXNPFEDSA-N 1 0 274.408 2.671 40 0 CFABRO CC(C)(C)OC(=O)N1C[C@@H]([NH3+])C[C@@H](c2ccccc2)C1 ZINC000044136099 175146078 /nfs/dbraw/zinc/14/60/78/175146078.db2.gz BUYRRQKPBSWKQI-KGLIPLIRSA-N 1 0 276.380 2.738 40 0 CFABRO C[C@H]1CN(Cc2ccc(Cl)cc2Cl)CC[NH2+]1 ZINC000071585033 176210499 /nfs/dbraw/zinc/21/04/99/176210499.db2.gz NOECMLCJCJDXPU-VIFPVBQESA-N 1 0 259.180 2.787 40 0 CFABRO Clc1ccc(CNC2CC[NH2+]CC2)cc1Cl ZINC000072203571 176341373 /nfs/dbraw/zinc/34/13/73/176341373.db2.gz WCCCDNVVUMLJKY-UHFFFAOYSA-N 1 0 259.180 2.835 40 0 CFABRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccc2cccnc21 ZINC000072324468 176369512 /nfs/dbraw/zinc/36/95/12/176369512.db2.gz VBLAPMAKWRBCTI-WMLDXEAASA-N 1 0 281.403 2.903 40 0 CFABRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(Br)o1 ZINC000072324567 176369747 /nfs/dbraw/zinc/36/97/47/176369747.db2.gz KJAVUNFFXFBSSK-WDEREUQCSA-N 1 0 299.212 2.711 40 0 CFABRO c1cn(-c2cccc([C@H]3CCC[N@@H+]3C3CCOCC3)n2)cn1 ZINC000072355623 176375103 /nfs/dbraw/zinc/37/51/03/176375103.db2.gz LCQSYFDOJUZUNW-MRXNPFEDSA-N 1 0 298.390 2.583 40 0 CFABRO OCc1ccc(-c2cccc([C@@H]3CCC[NH2+]C3)n2)cc1 ZINC000072356403 176375831 /nfs/dbraw/zinc/37/58/31/176375831.db2.gz MGWKGDUGBKFDRW-OAHLLOKOSA-N 1 0 268.360 2.708 40 0 CFABRO COc1cccc(-c2cnc([C@H]3CCC[N@H+](C)C3)cn2)c1 ZINC000072360686 176376829 /nfs/dbraw/zinc/37/68/29/176376829.db2.gz VTXOTHKUBAMTHS-AWEZNQCLSA-N 1 0 283.375 2.961 40 0 CFABRO c1cn(-c2nccnc2[C@@H]2CCC[N@H+]2C2CCCC2)cn1 ZINC000072359231 176376993 /nfs/dbraw/zinc/37/69/93/176376993.db2.gz BMFBPSFUFNLRNI-AWEZNQCLSA-N 1 0 283.379 2.742 40 0 CFABRO CC(C)[NH+]1CCC(c2cnc(-c3cncnc3)cn2)CC1 ZINC000072365397 176380576 /nfs/dbraw/zinc/38/05/76/176380576.db2.gz LYGCAZDZYDGMMX-UHFFFAOYSA-N 1 0 283.379 2.521 40 0 CFABRO CCc1nccn1-c1cccc([C@H]2CCC[N@@H+]2C)n1 ZINC000072379096 176386140 /nfs/dbraw/zinc/38/61/40/176386140.db2.gz JEPHHNIZGYLMIY-CYBMUJFWSA-N 1 0 256.353 2.596 40 0 CFABRO Fc1ccccc1C[N@@H+]1CCC[C@H](c2cnccn2)C1 ZINC000072384962 176388952 /nfs/dbraw/zinc/38/89/52/176388952.db2.gz GISZCPCZLGOGTB-AWEZNQCLSA-N 1 0 271.339 2.995 40 0 CFABRO Fc1ccc(CC[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)cc1 ZINC000072385454 176390066 /nfs/dbraw/zinc/39/00/66/176390066.db2.gz KGZGXXNKNFUGIS-AWEZNQCLSA-N 1 0 273.355 2.971 40 0 CFABRO C[NH+]1CCC(c2cccc(NCC(F)F)n2)CC1 ZINC000072386921 176392863 /nfs/dbraw/zinc/39/28/63/176392863.db2.gz DHVLGMYEBQOVQU-UHFFFAOYSA-N 1 0 255.312 2.568 40 0 CFABRO CCn1cc([C@H]2CN(C)C[C@@H]2[NH+](C)C)c2ccccc21 ZINC000072395513 176394280 /nfs/dbraw/zinc/39/42/80/176394280.db2.gz WQZSVAPIFIGPGX-WBVHZDCISA-N 1 0 271.408 2.620 40 0 CFABRO O=C(OCc1ccccc1)N(C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000079437918 177490904 /nfs/dbraw/zinc/49/09/04/177490904.db2.gz YEEFRHHLAYRHMW-HNNXBMFYSA-N 1 0 288.391 2.787 40 0 CFABRO C[C@@H]1CCCN([C@@H](C[NH3+])c2cc(F)ccc2F)C1 ZINC000037233464 287359469 /nfs/dbraw/zinc/35/94/69/287359469.db2.gz IVLWCLGNKWTENP-YGRLFVJLSA-N 1 0 254.324 2.697 40 0 CFABRO CC[C@@](O)(C[NH+]1CCCCC1)[C@H]1Cc2ccccc2O1 ZINC000001595104 276535715 /nfs/dbraw/zinc/53/57/15/276535715.db2.gz HMQBGFVTOYGQJN-IAGOWNOFSA-N 1 0 275.392 2.617 40 0 CFABRO CNc1nc(N2Cc3ccccc3CC2(C)C)cc(C)[nH+]1 ZINC000329047655 276994663 /nfs/dbraw/zinc/99/46/63/276994663.db2.gz UFYSEUZSJUVJBL-UHFFFAOYSA-N 1 0 282.391 2.590 40 0 CFABRO COc1cccc(-c2cnc(N(C)C)nc2[C@@H]2CCC[NH2+]2)c1 ZINC000257198022 278005901 /nfs/dbraw/zinc/00/59/01/278005901.db2.gz QMMCJCLIGGOCHL-HNNXBMFYSA-N 1 0 298.390 2.643 40 0 CFABRO CC1(C)Oc2c(O)cccc2[C@H]2O[C@H]3CC[NH2+]C[C@@H]3C[C@@H]21 ZINC000257245261 278417945 /nfs/dbraw/zinc/41/79/45/278417945.db2.gz IORYEVBZNMXJDJ-HQRZJTNHSA-N 1 0 289.375 2.619 40 0 CFABRO CC(C)[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000076696444 279627039 /nfs/dbraw/zinc/62/70/39/279627039.db2.gz BYDWEDGWCYVSAH-GFCCVEGCSA-N 1 0 256.390 2.774 40 0 CFABRO C[C@]1(CSC(N)=[NH2+])COc2ccccc2S1 ZINC000005531033 280161520 /nfs/dbraw/zinc/16/15/20/280161520.db2.gz XTUIVTALSVMCNX-LLVKDONJSA-N 1 0 254.380 2.556 40 0 CFABRO OCC[NH2+]C[C@H]1COC2(CCCCCCCCCCC2)O1 ZINC000003141611 280407691 /nfs/dbraw/zinc/40/76/91/280407691.db2.gz UMZNBWMCHMFBEZ-INIZCTEOSA-N 1 0 299.455 2.985 40 0 CFABRO Cc1cc(OC[C@@H](O)C[NH+]2CCCC2)ccc1C(C)C ZINC000005023374 280640549 /nfs/dbraw/zinc/64/05/49/280640549.db2.gz LSNORDNYLOEQHB-HNNXBMFYSA-N 1 0 277.408 2.954 40 0 CFABRO [NH3+]C[C@H](c1c(F)cccc1Cl)N1CCCCC1 ZINC000038809004 303418150 /nfs/dbraw/zinc/41/81/50/303418150.db2.gz FOXHYRKAFYMFEP-GFCCVEGCSA-N 1 0 256.752 2.965 40 0 CFABRO c1csc([C@@H]2CCC[N@@H+](Cc3cncs3)C2)n1 ZINC000092788541 327195310 /nfs/dbraw/zinc/19/53/10/327195310.db2.gz YOBQKQMPCTZYKX-SNVBAGLBSA-N 1 0 265.407 2.979 40 0 CFABRO CCOc1ccccc1N1CC[NH2+][C@@H]2CCCC[C@H]21 ZINC000218834122 333136801 /nfs/dbraw/zinc/13/68/01/333136801.db2.gz ZAYGWVLLACKDBC-ZIAGYGMSSA-N 1 0 260.381 2.806 40 0 CFABRO CC[NH+](CC)CCCNc1cc(Cl)nc(C)n1 ZINC000052835944 520625303 /nfs/dbraw/zinc/62/53/03/520625303.db2.gz QQWHGCTUGPOVBR-UHFFFAOYSA-N 1 0 256.781 2.582 40 0 CFABRO Cc1ccccc1-c1cnc(OCC2CC[NH2+]CC2)nc1 ZINC000096675126 534791998 /nfs/dbraw/zinc/79/19/98/534791998.db2.gz WWYVIKQNYWPDJK-UHFFFAOYSA-N 1 0 283.375 2.830 40 0 CFABRO C[C@H]([NH3+])c1ccc(N2Cc3ccccc3C2=O)cc1 ZINC000225753519 524863999 /nfs/dbraw/zinc/86/39/99/524863999.db2.gz NWKQIPGRPMTBOK-NSHDSACASA-N 1 0 252.317 2.867 40 0 CFABRO Cc1nn(C)c(C)c1C[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000157024711 534818187 /nfs/dbraw/zinc/81/81/87/534818187.db2.gz HMVNNHOSNVXVEI-CYBMUJFWSA-N 1 0 290.436 2.873 40 0 CFABRO CCN1C(=O)CC[C@@]12CCC[N@H+](Cc1ccoc1)CC2 ZINC000096047490 185073438 /nfs/dbraw/zinc/07/34/38/185073438.db2.gz NLDOHLTXXWQTLG-MRXNPFEDSA-N 1 0 276.380 2.647 40 0 CFABRO Cc1ccc(C[N@H+]2C[C@H]3CN(Cc4cccnc4)C[C@H]3C2)o1 ZINC000096053729 185073930 /nfs/dbraw/zinc/07/39/30/185073930.db2.gz ZIDDQGPVLYOTBE-CALCHBBNSA-N 1 0 297.402 2.547 40 0 CFABRO Cc1ccc(N2C[C@]3(CC[N@H+](CC4CC4)C3)CC2=O)s1 ZINC000096050885 185074169 /nfs/dbraw/zinc/07/41/69/185074169.db2.gz LQVHDNGBTBMCLE-MRXNPFEDSA-N 1 0 290.432 2.895 40 0 CFABRO C(O[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2CC1CC1)C1CCCC1 ZINC000096057915 185078707 /nfs/dbraw/zinc/07/87/07/185078707.db2.gz JAPAXFCUHCSWMC-GVDBMIGSSA-N 1 0 279.424 2.835 40 0 CFABRO C[NH+](C)[C@H]1c2ccccc2[C@@H]2CN(Cc3nccs3)C[C@@H]21 ZINC000096058310 185079599 /nfs/dbraw/zinc/07/95/99/185079599.db2.gz GTLSUOHWKWMQEC-ZOBUZTSGSA-N 1 0 299.443 2.975 40 0 CFABRO CC[C@H]1[N@H+](Cc2ccco2)CCC[C@]12CCC(=O)N2C ZINC000096070421 185085806 /nfs/dbraw/zinc/08/58/06/185085806.db2.gz RLYZBHIIMHWLCC-ZBFHGGJFSA-N 1 0 276.380 2.645 40 0 CFABRO CC(C)[C@H]1CO[C@]2(CC[N@H+](Cc3cccnc3)C2)C1 ZINC000096072026 185086458 /nfs/dbraw/zinc/08/64/58/185086458.db2.gz OKIOQHKJNOSDFC-HZPDHXFCSA-N 1 0 260.381 2.719 40 0 CFABRO COc1ccccc1C[N@@H+]1CC[C@H]2C[C@@H](C)O[C@@H]2C1 ZINC000096070669 185086865 /nfs/dbraw/zinc/08/68/65/185086865.db2.gz DAYCWKGJHMMZIE-DVOMOZLQSA-N 1 0 261.365 2.695 40 0 CFABRO Cn1cc(C[N@@H+]2CC[C@]3(C[C@H](c4ccccc4)CO3)C2)cn1 ZINC000096072150 185088362 /nfs/dbraw/zinc/08/83/62/185088362.db2.gz NISGUEIHBYIOBH-ROUUACIJSA-N 1 0 297.402 2.569 40 0 CFABRO COC[C@@]12CCC[C@@H]1C[N@H+](Cc1cccc(C)n1)C2 ZINC000096111025 185101136 /nfs/dbraw/zinc/10/11/36/185101136.db2.gz LANDLZBAMODAAO-ZBFHGGJFSA-N 1 0 260.381 2.639 40 0 CFABRO CCC(CC)[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000067800916 282185551 /nfs/dbraw/zinc/18/55/51/282185551.db2.gz NPMARACPIAWBSP-NSHDSACASA-N 1 0 256.390 2.774 40 0 CFABRO C[NH2+]CCCNc1ccnc2c(OC)ccc(C)c12 ZINC000222682696 529971645 /nfs/dbraw/zinc/97/16/45/529971645.db2.gz UEELIFFLTBWYMD-UHFFFAOYSA-N 1 0 259.353 2.573 40 0 CFABRO FC(F)(F)CN1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000409430340 539500386 /nfs/dbraw/zinc/50/03/86/539500386.db2.gz VGFCJFPIOVZZBP-ZIAGYGMSSA-N 1 0 284.325 2.613 40 0 CFABRO C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)N2N=CC[C@H]2c2ccccc2)C1 ZINC000008559891 346224855 /nfs/dbraw/zinc/22/48/55/346224855.db2.gz ZUUATDISHOXEKE-UXLLHSPISA-N 1 0 299.418 2.924 40 0 CFABRO C[NH+]1CCC(=C2c3nccn3CCc3ccccc32)CC1 ZINC000033980105 346314049 /nfs/dbraw/zinc/31/40/49/346314049.db2.gz GKTUOCXSVQTQJF-UHFFFAOYSA-N 1 0 279.387 2.967 40 0 CFABRO COC(=O)[C@@](C)(c1ccccc1)[NH+]1CCCCCC1 ZINC000085393534 179048553 /nfs/dbraw/zinc/04/85/53/179048553.db2.gz WKTCUUAOTFBDPE-MRXNPFEDSA-N 1 0 261.365 2.951 40 0 CFABRO C[C@H]1CC[NH2+]CC[C@H]1CNC(=O)OCc1ccccc1 ZINC000110916025 347750704 /nfs/dbraw/zinc/75/07/04/347750704.db2.gz NMZLKIGYIWOAFQ-ZFWWWQNUSA-N 1 0 276.380 2.549 40 0 CFABRO CCOC(=O)[C@H]1CC[NH2+][C@H]1c1ccc(Cl)cc1 ZINC000257197628 348306107 /nfs/dbraw/zinc/30/61/07/348306107.db2.gz FFLHGTIFZICCAR-RYUDHWBXSA-N 1 0 253.729 2.554 40 0 CFABRO CCOC(=O)[C@H]1CC[NH2+][C@@H]1c1ccccc1Cl ZINC000257197755 348306125 /nfs/dbraw/zinc/30/61/25/348306125.db2.gz INRVMGBUEDMVTR-CMPLNLGQSA-N 1 0 253.729 2.554 40 0 CFABRO CCOC(=O)[C@@H]1CC[NH2+][C@H]1c1ccc(Cl)cc1 ZINC000257197626 348306133 /nfs/dbraw/zinc/30/61/33/348306133.db2.gz FFLHGTIFZICCAR-NEPJUHHUSA-N 1 0 253.729 2.554 40 0 CFABRO [NH3+]C[C@@H]1[C@H](c2ccc(Br)cc2)C1(F)F ZINC000409434597 348601489 /nfs/dbraw/zinc/60/14/89/348601489.db2.gz YPAXIIMFZZSGAY-BDAKNGLRSA-N 1 0 262.097 2.757 40 0 CFABRO c1csc([C@@H](C2CCSCC2)N2CC[NH2+]CC2)c1 ZINC000409439425 348602188 /nfs/dbraw/zinc/60/21/88/348602188.db2.gz HGXBKOLPSSEEHP-CQSZACIVSA-N 1 0 282.478 2.838 40 0 CFABRO FC(F)(F)c1nc(-c2ccc([C@@H]3CCC[NH2+]C3)nc2)no1 ZINC000585290127 348738596 /nfs/dbraw/zinc/73/85/96/348738596.db2.gz SQDQUYXSJGRLSV-MRVPVSSYSA-N 1 0 298.268 2.617 40 0 CFABRO CC(C)C[NH2+][C@H]1CCC[C@@H](Oc2cccc(F)c2)[C@@H]1O ZINC000585289820 348738697 /nfs/dbraw/zinc/73/86/97/348738697.db2.gz OAQPXWLHHKBPBI-ARFHVFGLSA-N 1 0 281.371 2.732 40 0 CFABRO c1nc2ccccn2c1-c1cccc(CC2CC[NH2+]CC2)n1 ZINC000585263232 348738752 /nfs/dbraw/zinc/73/87/52/348738752.db2.gz QKOKOINKBHATKQ-UHFFFAOYSA-N 1 0 292.386 2.938 40 0 CFABRO c1nn2ccccc2c1-c1cccc([C@H]2CCC[NH2+]C2)n1 ZINC000585263031 348738816 /nfs/dbraw/zinc/73/88/16/348738816.db2.gz VWXBCMBGONKTLH-ZDUSSCGKSA-N 1 0 278.359 2.863 40 0 CFABRO Cc1cccc(CO[C@@H]2CSC3(C[NH+](C(C)C)C3)C2)n1 ZINC000585103848 348734670 /nfs/dbraw/zinc/73/46/70/348734670.db2.gz DJNHXSWLMKFGMY-HNNXBMFYSA-N 1 0 292.448 2.875 40 0 CFABRO c1cnc(N2CC[C@H]3[C@@H](C[N@H+]3CC3CCCCC3)C2)nc1 ZINC000585107989 348734764 /nfs/dbraw/zinc/73/47/64/348734764.db2.gz QKXAMHGROVEQJB-CVEARBPZSA-N 1 0 286.423 2.567 40 0 CFABRO CC(C)(C)OC(=O)N1CC(C[NH2+]Cc2ccccc2F)C1 ZINC000090635723 180016632 /nfs/dbraw/zinc/01/66/32/180016632.db2.gz ANIFKLNDXOBPBC-UHFFFAOYSA-N 1 0 294.370 2.782 40 0 CFABRO Brc1cccc(SC[C@@H]2CCC[NH2+]C2)n1 ZINC000091364000 180142589 /nfs/dbraw/zinc/14/25/89/180142589.db2.gz SJGRTYYKSUCFAI-SECBINFHSA-N 1 0 287.226 2.936 40 0 CFABRO FC(F)(F)CCN1CC[NH2+]C[C@H]1c1ccccc1 ZINC000085451786 303113316 /nfs/dbraw/zinc/11/33/16/303113316.db2.gz MMFHKYUPSHAQIQ-LBPRGKRZSA-N 1 0 258.287 2.585 40 0 CFABRO C[N@@H+]1CCCC[C@H](CNC(=O)NC[C@H]2CCC[C@H](F)C2)C1 ZINC000685939059 539988615 /nfs/dbraw/zinc/98/86/15/539988615.db2.gz BXMBZPLOZWNGCA-ZNMIVQPWSA-N 1 0 299.434 2.546 40 0 CFABRO CC(C)C(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224702419 539994525 /nfs/dbraw/zinc/99/45/25/539994525.db2.gz JJVQFXQDHXMDRT-UHFFFAOYSA-N 1 0 274.408 2.945 40 0 CFABRO NC(=[NH2+])S[C@H]1c2ccccc2-c2ccc(N)cc21 ZINC000005939478 283262056 /nfs/dbraw/zinc/26/20/56/283262056.db2.gz IOXKBQLWRUYFMZ-ZDUSSCGKSA-N 1 0 255.346 2.965 40 0 CFABRO CC(C)OC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000204472867 540785175 /nfs/dbraw/zinc/78/51/75/540785175.db2.gz AZVPADMEIMLODT-LSDHHAIUSA-N 1 0 261.365 2.864 40 0 in-vitro CFABRO C[C@@H](NC(=O)C1CC[NH2+]CC1)C12CC3CC(CC(C3)C1)C2 ZINC000019412849 296042028 /nfs/dbraw/zinc/04/20/28/296042028.db2.gz NNDAKSAKTSLTQZ-QLFDAEIZSA-N 1 0 290.451 2.707 40 0 CFABRO NC(=[NH2+])c1cccc(NC(=O)CCc2ccccc2)c1 ZINC000001749251 371705299 /nfs/dbraw/zinc/70/52/99/371705299.db2.gz SFFDYHOIXZETCF-UHFFFAOYSA-N 1 0 267.332 2.542 40 0 CFABRO CC(C)(C)OC(=O)NCCCC[C@@H]1CCC[NH2+]C1 ZINC000002525354 371732849 /nfs/dbraw/zinc/73/28/49/371732849.db2.gz YSIDFIHUUYLATN-GFCCVEGCSA-N 1 0 256.390 2.681 40 0 CFABRO CC[NH+](CC)CCN(C(=O)C(C)(C)C)c1ccccc1N ZINC000001636915 371690564 /nfs/dbraw/zinc/69/05/64/371690564.db2.gz XVUYYYAZLXXVKG-UHFFFAOYSA-N 1 0 291.439 2.990 40 0 CFABRO COc1ccc(C[NH+](C)C)c([C@H](O)c2ccccc2)c1 ZINC000001662368 371691652 /nfs/dbraw/zinc/69/16/52/371691652.db2.gz SGQKKIQRNPIHQV-QGZVFWFLSA-N 1 0 271.360 2.839 40 0 CFABRO NC(=[NH2+])SCCCSc1nc2ccccc2[nH]1 ZINC000001666691 371694264 /nfs/dbraw/zinc/69/42/64/371694264.db2.gz KPMCLMFFOZFLKQ-UHFFFAOYSA-N 1 0 266.395 2.672 40 0 CFABRO CC[NH+](CC)CCC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000001670999 371695158 /nfs/dbraw/zinc/69/51/58/371695158.db2.gz XPMDFLDZGCUNIJ-UHFFFAOYSA-N 1 0 295.379 2.627 40 0 CFABRO C[NH+](C)CCc1ccc(OC(=O)c2ccc(N)cc2)cc1 ZINC000001688815 371699180 /nfs/dbraw/zinc/69/91/80/371699180.db2.gz MSEHLMWFOYXUKP-UHFFFAOYSA-N 1 0 284.359 2.592 40 0 CFABRO CC1CCC([NH2+]CCOC(=O)c2ccc(N)cc2)CC1 ZINC000001710479 371700436 /nfs/dbraw/zinc/70/04/36/371700436.db2.gz QECLPASLHFEYOQ-UHFFFAOYSA-N 1 0 276.380 2.594 40 0 CFABRO Nc1ccc(C(=O)OCCCC[C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000001709167 371700696 /nfs/dbraw/zinc/70/06/96/371700696.db2.gz DRKITQCJEFDPLR-WFASDCNBSA-N 1 0 276.380 2.723 40 0 CFABRO COc1ccc(OC[C@H](O)C[NH2+]C(C)C)c(C(C)(C)C)c1 ZINC000002685823 371746214 /nfs/dbraw/zinc/74/62/14/371746214.db2.gz LOEXYOOALPUCKX-CYBMUJFWSA-N 1 0 295.423 2.730 40 0 CFABRO O[C@@H](C[NH2+]Cc1ccccc1)Cn1ccc2ccccc21 ZINC000002707601 371746810 /nfs/dbraw/zinc/74/68/10/371746810.db2.gz YYCMZNYZCVUWDS-KRWDZBQOSA-N 1 0 280.371 2.792 40 0 CFABRO Cc1ccccc1OC[C@H](O)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000004248001 371843483 /nfs/dbraw/zinc/84/34/83/371843483.db2.gz SMBKZOQPNGCSEO-IJEWVQPXSA-N 1 0 277.408 2.713 40 0 CFABRO COC(=O)[C@H]1C[N@H+](C)CC[C@@H]1c1ccc(Cl)cc1 ZINC000004423541 371855121 /nfs/dbraw/zinc/85/51/21/371855121.db2.gz GDFVYUDIAQQDTA-OLZOCXBDSA-N 1 0 267.756 2.548 40 0 CFABRO COc1cccc(NC(=O)NCCC[NH+]2CCCCC2)c1 ZINC000011553958 371921800 /nfs/dbraw/zinc/92/18/00/371921800.db2.gz IECMJGRGQKEVGT-UHFFFAOYSA-N 1 0 291.395 2.693 40 0 CFABRO CCc1ccc(OC[C@H](O)C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000012170192 371947729 /nfs/dbraw/zinc/94/77/29/371947729.db2.gz IHWQFPMIIUIMNO-BFYDXBDKSA-N 1 0 291.435 2.967 40 0 CFABRO CCCCc1cc(OC)c(C[C@@H](C)[NH3+])cc1OC ZINC000013450472 372028911 /nfs/dbraw/zinc/02/89/11/372028911.db2.gz NGVDYAULSQKEGW-LLVKDONJSA-N 1 0 251.370 2.936 40 0 in-vitro CFABRO Cc1cc(C[N@@H+]2CCC[C@H](O)C2)c(C)n1Cc1ccco1 ZINC000013568251 372033503 /nfs/dbraw/zinc/03/35/03/372033503.db2.gz KYZYJUOMRVDTEY-INIZCTEOSA-N 1 0 288.391 2.703 40 0 CFABRO C[NH+]1CCC(NC(=S)Nc2ccccc2Cl)CC1 ZINC000013775537 372049475 /nfs/dbraw/zinc/04/94/75/372049475.db2.gz JZTHPNXFQOYFBT-UHFFFAOYSA-N 1 0 283.828 2.721 40 0 CFABRO [NH3+]Cc1ccc(NC(=O)c2cc(F)cc(F)c2)cc1 ZINC000019404695 372159749 /nfs/dbraw/zinc/15/97/49/372159749.db2.gz FDBPNWNDVATTTN-UHFFFAOYSA-N 1 0 262.259 2.676 40 0 CFABRO [NH3+]Cc1ccc(NC(=O)c2cc(F)ccc2F)cc1 ZINC000019435134 372163083 /nfs/dbraw/zinc/16/30/83/372163083.db2.gz ZMUHUUXSSSDLSO-UHFFFAOYSA-N 1 0 262.259 2.676 40 0 CFABRO COc1cccc(OCc2cccc(C(N)=[NH2+])c2)c1 ZINC000019437348 372164214 /nfs/dbraw/zinc/16/42/14/372164214.db2.gz OKOGCNPAHGYVCI-UHFFFAOYSA-N 1 0 256.305 2.558 40 0 CFABRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(F)cc1F ZINC000019575116 372175672 /nfs/dbraw/zinc/17/56/72/372175672.db2.gz GJTSGSCKRTWULI-BXUZGUMPSA-N 1 0 266.335 2.633 40 0 CFABRO Cc1ccc(-n2cc(C[N@@H+](C)CC3(C)COC3)cn2)cc1 ZINC000019656156 372177661 /nfs/dbraw/zinc/17/76/61/372177661.db2.gz ODZHQFCEJRAQOI-UHFFFAOYSA-N 1 0 285.391 2.649 40 0 CFABRO CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCC[NH+](C)C ZINC000020050648 372223496 /nfs/dbraw/zinc/22/34/96/372223496.db2.gz SRIKKAWGAVHRLD-OAHLLOKOSA-N 1 0 292.423 2.529 40 0 CFABRO CC[NH+](CC)CCNCc1cc(Cl)cc2c1OCOC2 ZINC000022860929 372246749 /nfs/dbraw/zinc/24/67/49/372246749.db2.gz LJSIAAAKUWQIAC-UHFFFAOYSA-N 1 0 298.814 2.638 40 0 CFABRO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H](O)COc1ccccc1F ZINC000026781719 372329863 /nfs/dbraw/zinc/32/98/63/372329863.db2.gz SYZNNDXAQKBPAB-HZSPNIEDSA-N 1 0 281.371 2.828 40 0 CFABRO c1ccc(COC[C@@H]2CN(Cc3ccccc3)CC[NH2+]2)cc1 ZINC000026898246 372331528 /nfs/dbraw/zinc/33/15/28/372331528.db2.gz RDGPQHCJHZWORQ-IBGZPJMESA-N 1 0 296.414 2.677 40 0 CFABRO [NH3+]C1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000036753360 372588277 /nfs/dbraw/zinc/58/82/77/372588277.db2.gz CZJBTJFJYJKPEP-UHFFFAOYSA-N 1 0 273.163 2.557 40 0 CFABRO [NH3+][C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 ZINC000041027608 372804170 /nfs/dbraw/zinc/80/41/70/372804170.db2.gz ANFBQMZPEXRQFY-NSHDSACASA-N 1 0 259.180 2.917 40 0 CFABRO c1coc(-c2nnc([C@H]3CC[N@@H+](Cc4ccccn4)C3)o2)c1 ZINC000049169513 373272943 /nfs/dbraw/zinc/27/29/43/373272943.db2.gz CAQNGJGLWPSVRF-LBPRGKRZSA-N 1 0 296.330 2.714 40 0 biogenic,in-vitro CFABRO c1ccc(Cc2nnc([C@H]3CC[N@@H+](CC4CC4)C3)o2)cc1 ZINC000049169873 373273218 /nfs/dbraw/zinc/27/32/18/373273218.db2.gz UPSAIHULQYTTKG-HNNXBMFYSA-N 1 0 283.375 2.860 40 0 biogenic,in-vitro CFABRO O=C(Cc1ccccc1)N1CC[NH+]([C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000049573699 373313483 /nfs/dbraw/zinc/31/34/83/373313483.db2.gz DQNAQBKFOYXNKF-KSZLIROESA-N 1 0 298.430 2.562 40 0 CFABRO C[C@H]1C[NH2+]CCN1Cc1ccc(Cl)c(Cl)c1 ZINC000054372577 373522548 /nfs/dbraw/zinc/52/25/48/373522548.db2.gz VVGBFBOFYWEASV-VIFPVBQESA-N 1 0 259.180 2.787 40 0 CFABRO Cc1cc(C2(O)CC[NH+](C(C)C)CC2)ccc1F ZINC000055192568 373544465 /nfs/dbraw/zinc/54/44/65/373544465.db2.gz YEJJYDSDUMTTGM-UHFFFAOYSA-N 1 0 251.345 2.826 40 0 CFABRO c1csc([C@H]2C[N@H+](Cc3ccccc3)CCN2)c1 ZINC000056894914 373573401 /nfs/dbraw/zinc/57/34/01/373573401.db2.gz BBZZPAYGUJCNOB-CQSZACIVSA-N 1 0 258.390 2.895 40 0 CFABRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1 ZINC000060056023 373688945 /nfs/dbraw/zinc/68/89/45/373688945.db2.gz QEUZNHUJODFJRI-GJZGRUSLSA-N 1 0 276.380 2.786 40 0 CFABRO [NH3+]C1CCN(Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000067801041 374003895 /nfs/dbraw/zinc/00/38/95/374003895.db2.gz FOCOZXXAJXJINO-UHFFFAOYSA-N 1 0 276.277 2.768 40 0 CFABRO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000067800924 374004779 /nfs/dbraw/zinc/00/47/79/374004779.db2.gz MHMMRXINDHKRMU-ZDUSSCGKSA-N 1 0 268.401 2.776 40 0 CFABRO c1c(CC2([NH2+]CC3CC3)COC2)noc1-c1ccccc1 ZINC000067898034 374012718 /nfs/dbraw/zinc/01/27/18/374012718.db2.gz GQNNDZBIDOPSFF-UHFFFAOYSA-N 1 0 284.359 2.653 40 0 biogenic,in-vitro CFABRO [NH3+]Cc1cc(-c2ccccc2Br)no1 ZINC000069970251 374115392 /nfs/dbraw/zinc/11/53/92/374115392.db2.gz BWHBJKPBDGQYBH-UHFFFAOYSA-N 1 0 253.099 2.563 40 0 CFABRO C[NH+]1CCC(C(=O)NCCCc2ccccc2Cl)CC1 ZINC000073471495 374343964 /nfs/dbraw/zinc/34/39/64/374343964.db2.gz FHLZDSFMCIDMIT-UHFFFAOYSA-N 1 0 294.826 2.731 40 0 CFABRO O=C(OCc1ccccc1)N1CCC[C@@H]([NH2+]C2CC2)C1 ZINC000073652663 374364205 /nfs/dbraw/zinc/36/42/05/374364205.db2.gz ZXXFGEDOFVJCCX-OAHLLOKOSA-N 1 0 274.364 2.540 40 0 CFABRO Cc1ccc(CN(C(=O)[C@@H]([NH3+])C(C)C)C(C)C)cc1 ZINC000079420414 374609409 /nfs/dbraw/zinc/60/94/09/374609409.db2.gz FNZYBFUFGYORBJ-HNNXBMFYSA-N 1 0 262.397 2.715 40 0 CFABRO CC(C)[C@H]([NH3+])C(=O)N([C@@H](C)c1ccc(F)cc1)C1CC1 ZINC000079418800 374610270 /nfs/dbraw/zinc/61/02/70/374610270.db2.gz BHRGMOAHEGGWFH-NHYWBVRUSA-N 1 0 278.371 2.861 40 0 CFABRO C[C@H]([NH3+])C(=O)N(Cc1cccc(Cl)c1Cl)C1CC1 ZINC000079420964 374610404 /nfs/dbraw/zinc/61/04/04/374610404.db2.gz OMYVEXNZVNNDKK-QMMMGPOBSA-N 1 0 287.190 2.832 40 0 CFABRO O=C(OCc1ccccc1)N(C[C@H]1CCCC[NH2+]1)C1CC1 ZINC000079437912 374611908 /nfs/dbraw/zinc/61/19/08/374611908.db2.gz SPUSJMCVHODGHE-OAHLLOKOSA-N 1 0 288.391 2.930 40 0 CFABRO C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000082325076 374735282 /nfs/dbraw/zinc/73/52/82/374735282.db2.gz GNZZSTFNVYIZFT-VIFPVBQESA-N 1 0 270.735 2.759 40 0 CFABRO C[N@@H+]1CCC[C@@H](C(=O)Nc2cccc(Br)c2)C1 ZINC000082335900 374736987 /nfs/dbraw/zinc/73/69/87/374736987.db2.gz MNCFZROGDXXULJ-SNVBAGLBSA-N 1 0 297.196 2.729 40 0 CFABRO O=C(Nc1ccccc1C(=O)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000085221554 374798785 /nfs/dbraw/zinc/79/87/85/374798785.db2.gz UYECSIRRUVGDMV-INIZCTEOSA-N 1 0 294.354 2.608 40 0 CFABRO CC[C@@H]([NH3+])COCc1ccccc1Br ZINC000089261764 374892285 /nfs/dbraw/zinc/89/22/85/374892285.db2.gz SVDHJBNLSXLZTR-SNVBAGLBSA-N 1 0 258.159 2.703 40 0 CFABRO CC[C@H]1[N@H+](Cc2cc(C)c(C)o2)CCC[C@]12CCC(=O)N2 ZINC000096100125 375469096 /nfs/dbraw/zinc/46/90/96/375469096.db2.gz XQVWPCRXPTWVKJ-WBVHZDCISA-N 1 0 290.407 2.920 40 0 CFABRO [NH3+]C[C@H](c1ccc(OC(F)(F)F)cc1)N1CCCC1 ZINC000095098742 375416067 /nfs/dbraw/zinc/41/60/67/375416067.db2.gz JTYBDNYRPPLXEW-GFCCVEGCSA-N 1 0 274.286 2.681 40 0 CFABRO CCc1ccc(CN2CC[C@]3(C2)CCC[N@H+](C)C3)o1 ZINC000096215224 375476656 /nfs/dbraw/zinc/47/66/56/375476656.db2.gz ZSIMGBPZTZLYCN-MRXNPFEDSA-N 1 0 262.397 2.760 40 0 CFABRO c1cc(C[N@H+]2CCC3(CN(Cc4cccnc4)C3)C2)cs1 ZINC000096202752 375477608 /nfs/dbraw/zinc/47/76/08/375477608.db2.gz OWHUGOYYNALGAC-UHFFFAOYSA-N 1 0 299.443 2.851 40 0 CFABRO C[NH+](C)[C@@H]1CCN(C(=O)c2ccco2)[C@H]1Cc1ccccc1 ZINC000096200800 375478089 /nfs/dbraw/zinc/47/80/89/375478089.db2.gz ACUGEMIULHTQQF-CVEARBPZSA-N 1 0 298.386 2.667 40 0 CFABRO CCc1ccc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3C(C)C)cc1 ZINC000096248689 375482260 /nfs/dbraw/zinc/48/22/60/375482260.db2.gz ZTBZVFGMLWTZDN-MSOLQXFVSA-N 1 0 288.435 2.542 40 0 CFABRO Cc1ncnc2c1CC[N@H+](Cc1ccc(F)cc1)CC2 ZINC000096254953 375482464 /nfs/dbraw/zinc/48/24/64/375482464.db2.gz QPTRDOXGTITNAD-UHFFFAOYSA-N 1 0 271.339 2.525 40 0 CFABRO CCCn1cc(C[NH2+]Cc2cnn(CC(C)C)c2)c(C)n1 ZINC000256053331 190005082 /nfs/dbraw/zinc/00/50/82/190005082.db2.gz RACBCIXYQIXNKE-UHFFFAOYSA-N 1 0 289.427 2.744 40 0 CFABRO Fc1cccc(C[NH2+]Cc2ccnn2CC(F)(F)F)c1 ZINC000256054469 190005332 /nfs/dbraw/zinc/00/53/32/190005332.db2.gz WLDVDHKWOSVINW-UHFFFAOYSA-N 1 0 287.260 2.874 40 0 CFABRO COc1cccc(C[NH2+]Cc2ccnn2CC(F)(F)F)c1 ZINC000256049543 190002610 /nfs/dbraw/zinc/00/26/10/190002610.db2.gz AJTYQDFNTVEOKZ-UHFFFAOYSA-N 1 0 299.296 2.744 40 0 CFABRO Cn1ncc(C[NH2+]Cc2ccccc2)c1C(F)(F)F ZINC000256052291 190004310 /nfs/dbraw/zinc/00/43/10/190004310.db2.gz MSTMYTFXILMUBY-UHFFFAOYSA-N 1 0 269.270 2.729 40 0 CFABRO CCOc1ccc(C[NH2+]Cc2cn(CC)nc2C)cc1 ZINC000256052455 190004529 /nfs/dbraw/zinc/00/45/29/190004529.db2.gz NKFPRJIANJTASX-UHFFFAOYSA-N 1 0 273.380 2.900 40 0 CFABRO CCn1nccc1-c1cc(CC2CC[NH2+]CC2)ccn1 ZINC000257200668 190010518 /nfs/dbraw/zinc/01/05/18/190010518.db2.gz AEJRFSHTBDHGQR-UHFFFAOYSA-N 1 0 270.380 2.507 40 0 CFABRO COc1ccc(-c2nccc([C@H]3CCC[NH2+]3)n2)cc1 ZINC000257198207 190010583 /nfs/dbraw/zinc/01/05/83/190010583.db2.gz WAAOPTQBVDYDDX-CYBMUJFWSA-N 1 0 255.321 2.577 40 0 CFABRO COc1ccc(-c2nccc([C@@H]3CCC[NH2+]3)n2)cc1 ZINC000257198208 190010943 /nfs/dbraw/zinc/01/09/43/190010943.db2.gz WAAOPTQBVDYDDX-ZDUSSCGKSA-N 1 0 255.321 2.577 40 0 CFABRO CNC(=O)c1cccc([C@H]2CCC[N@@H+]2C2CCCC2)n1 ZINC000257212392 190012740 /nfs/dbraw/zinc/01/27/40/190012740.db2.gz CDFVFNLVRKRRDT-OAHLLOKOSA-N 1 0 273.380 2.521 40 0 CFABRO CNc1cc([C@@H]2CCC[N@@H+]2Cc2ccccn2)ccn1 ZINC000257215176 190012960 /nfs/dbraw/zinc/01/29/60/190012960.db2.gz CPBLCXSBICEMKK-HNNXBMFYSA-N 1 0 268.364 2.855 40 0 CFABRO C[N@@H+]1CCN(Cc2cccnc2)C[C@H]1c1ccccc1 ZINC000257213851 190013157 /nfs/dbraw/zinc/01/31/57/190013157.db2.gz CJIHGDYHLSQVLV-KRWDZBQOSA-N 1 0 267.376 2.570 40 0 CFABRO Cc1nn(C)c(C)c1C[N@@H+]1CCC[C@H](Cc2ccccn2)C1 ZINC000257214969 190013495 /nfs/dbraw/zinc/01/34/95/190013495.db2.gz CODABFCXFYWNDM-MRXNPFEDSA-N 1 0 298.434 2.887 40 0 CFABRO c1ncc(C[N@@H+]2CCC[C@H](c3ccc4c[nH]nc4n3)C2)s1 ZINC000257225988 190015697 /nfs/dbraw/zinc/01/56/97/190015697.db2.gz FIRPCAKKYLDENM-LBPRGKRZSA-N 1 0 299.403 2.794 40 0 CFABRO Cc1cn(C)c([C@@H]2CC[N@H+](Cc3cccs3)C2)n1 ZINC000257233692 190016867 /nfs/dbraw/zinc/01/68/67/190016867.db2.gz GQGHAQXDHAWGTR-GFCCVEGCSA-N 1 0 261.394 2.780 40 0 CFABRO Cn1cccc1C[NH+]1CCC(Cc2ccncc2)CC1 ZINC000257221391 190014429 /nfs/dbraw/zinc/01/44/29/190014429.db2.gz DOWIYAHCRYKWBG-UHFFFAOYSA-N 1 0 269.392 2.875 40 0 CFABRO CC(C)c1nccn1-c1ccnc([C@H]2CCC[NH2+]C2)c1 ZINC000257236426 190017424 /nfs/dbraw/zinc/01/74/24/190017424.db2.gz HCDDEJNDSYZAKL-ZDUSSCGKSA-N 1 0 270.380 2.858 40 0 CFABRO CC(C)n1nccc1CN1CC[NH2+]C[C@H]1c1ccccc1 ZINC000257237366 190017497 /nfs/dbraw/zinc/01/74/97/190017497.db2.gz HGCXXQGOYKARBT-KRWDZBQOSA-N 1 0 284.407 2.611 40 0 CFABRO Cc1nc(-c2ccnn2C)cc([C@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000257236252 190018176 /nfs/dbraw/zinc/01/81/76/190018176.db2.gz HBIYHYDCUQNBEA-AWEZNQCLSA-N 1 0 299.422 2.773 40 0 CFABRO O=C1CCC[C@]2(C[N@H+](CC3CC3)C[C@H]2c2ccccc2)N1 ZINC000257240821 190018399 /nfs/dbraw/zinc/01/83/99/190018399.db2.gz HVIFBENOAFOFJJ-FUHWJXTLSA-N 1 0 284.403 2.535 40 0 CFABRO Cc1ccc(C[C@H]2CCC[N@@H+](C3CCN(C)CC3)C2)cn1 ZINC000257280682 190025643 /nfs/dbraw/zinc/02/56/43/190025643.db2.gz OLWWDSCGWSZKIK-QGZVFWFLSA-N 1 0 287.451 2.739 40 0 CFABRO Cc1cc(Nc2cccc(CC3CC[NH2+]CC3)n2)no1 ZINC000257293917 190028134 /nfs/dbraw/zinc/02/81/34/190028134.db2.gz QRRWCXSASJLIBI-UHFFFAOYSA-N 1 0 272.352 2.664 40 0 CFABRO CNc1cc([C@@H]2CCC[N@H+](CC3CCOCC3)C2)ccn1 ZINC000257295959 190028464 /nfs/dbraw/zinc/02/84/64/190028464.db2.gz RAPQSHROPBAMHV-MRXNPFEDSA-N 1 0 289.423 2.729 40 0 CFABRO CC(C)n1nccc1C[N@@H+]1CCC[C@H](c2cnccn2)C1 ZINC000257293262 190028542 /nfs/dbraw/zinc/02/85/42/190028542.db2.gz QOTGAVSTUFHBLN-AWEZNQCLSA-N 1 0 285.395 2.634 40 0 CFABRO Cc1cnc([C@H]2CCC[N@H+](Cc3cnccn3)C2)s1 ZINC000257300748 190028901 /nfs/dbraw/zinc/02/89/01/190028901.db2.gz RVNRJUKPVAENEM-LBPRGKRZSA-N 1 0 274.393 2.621 40 0 CFABRO CC(C)[N@@H+]1CCC[C@H](c2cncc(Nc3cnccn3)n2)C1 ZINC000257302201 190030492 /nfs/dbraw/zinc/03/04/92/190030492.db2.gz SBXMNEMPMNYHFA-ZDUSSCGKSA-N 1 0 298.394 2.598 40 0 CFABRO c1nc(NC2CCCC2)cnc1C[C@H]1CCC[NH2+]CC1 ZINC000257306085 190031012 /nfs/dbraw/zinc/03/10/12/190031012.db2.gz SSVBTNOOSIBVAN-ZDUSSCGKSA-N 1 0 274.412 2.763 40 0 CFABRO CC(C)c1nccn1-c1cccc(C2CC[NH2+]CC2)n1 ZINC000257318549 190033266 /nfs/dbraw/zinc/03/32/66/190033266.db2.gz VOJPSCSKDMGFHN-UHFFFAOYSA-N 1 0 270.380 2.858 40 0 CFABRO c1cc(C[N@@H+]2CCC[C@@H](c3ccncn3)C2)cs1 ZINC000257322040 190033388 /nfs/dbraw/zinc/03/33/88/190033388.db2.gz WEIVEACUPAFQOX-CYBMUJFWSA-N 1 0 259.378 2.918 40 0 CFABRO Cn1cccc1C[N@@H+]1CCC[C@@H](Cc2cccnc2)C1 ZINC000257320702 190033611 /nfs/dbraw/zinc/03/36/11/190033611.db2.gz VYDOTLWVUBHNSW-INIZCTEOSA-N 1 0 269.392 2.875 40 0 CFABRO CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3[NH2+][C@@H]2Cc1ccccc1 ZINC000257318874 190033886 /nfs/dbraw/zinc/03/38/86/190033886.db2.gz VPTUNKUTCLRGKY-MTHXSQLBSA-N 1 0 298.430 2.749 40 0 CFABRO Nc1cc(CC[C@H]2C[N@@H+](C3CCCCC3)CCO2)ccn1 ZINC000257329840 190034738 /nfs/dbraw/zinc/03/47/38/190034738.db2.gz XLTHCFFBDKKGCX-INIZCTEOSA-N 1 0 289.423 2.630 40 0 CFABRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](OC(=O)c1ccc(F)cc1)C2 ZINC000257355226 190037702 /nfs/dbraw/zinc/03/77/02/190037702.db2.gz YXDFSLSXLYAAPF-BTTYYORXSA-N 1 0 263.312 2.608 40 0 in-vitro CFABRO Cc1n[nH]cc1-c1cnc(C2CC[NH+](C(C)C)CC2)cn1 ZINC000257344335 190037872 /nfs/dbraw/zinc/03/78/72/190037872.db2.gz ZWTLKIWSYSEFAO-UHFFFAOYSA-N 1 0 285.395 2.763 40 0 CFABRO CC(C)(C)OC(=O)NCC12CCC([NH3+])(CC1)CCC2 ZINC000306145310 382453269 /nfs/dbraw/zinc/45/32/69/382453269.db2.gz BBZDIAPCYTVHNR-UHFFFAOYSA-N 1 0 268.401 2.953 40 0 CFABRO C1C[NH2+]C[C@H](c2nc([C@H]3CCCSCC3)no2)C1 ZINC000575415209 382770246 /nfs/dbraw/zinc/77/02/46/382770246.db2.gz ZWUUFUZAOIZTDM-WDEREUQCSA-N 1 0 267.398 2.537 40 0 CFABRO Cc1c(-c2ccc(C(F)(F)F)cc2)[nH+]c(N)n1C ZINC000199560802 382771870 /nfs/dbraw/zinc/77/18/70/382771870.db2.gz MRCAYCYIBWWEKM-UHFFFAOYSA-N 1 0 255.243 2.997 40 0 CFABRO CC(C)(C)OC(=O)N(CC1CC1)C[C@@H]1CCC[NH2+]C1 ZINC000217522075 382787042 /nfs/dbraw/zinc/78/70/42/382787042.db2.gz PVMKOAPCEQKHFU-CYBMUJFWSA-N 1 0 268.401 2.633 40 0 CFABRO CCn1c(C[NH2+]C[C@H]2CCCO2)ccc1Cc1ccco1 ZINC000226021581 382824488 /nfs/dbraw/zinc/82/44/88/382824488.db2.gz KTRRBIADYUIGRO-QGZVFWFLSA-N 1 0 288.391 2.960 40 0 CFABRO Cc1ccc(C[N@@H+]2CCC[C@@H](CO)C2)c(Cl)c1 ZINC000235876091 382889339 /nfs/dbraw/zinc/88/93/39/382889339.db2.gz AQMSKZWZMXBKNM-GFCCVEGCSA-N 1 0 253.773 2.853 40 0 CFABRO COC[C@@H]1CCOC12CN(Cc1cc(C)ccc1C)C2 ZINC000247918653 383200093 /nfs/dbraw/zinc/20/00/93/383200093.db2.gz ZWJMDCKTBGYMIB-INIZCTEOSA-N 1 0 275.392 2.541 40 0 CFABRO c1cc2n(c1)C[C@@H](Oc1cccnc1)C[N@@H+](C1CCC1)C2 ZINC000253588411 383464265 /nfs/dbraw/zinc/46/42/65/383464265.db2.gz BPDKPEIESABJMJ-QGZVFWFLSA-N 1 0 283.375 2.699 40 0 CFABRO c1cc2n(c1)C[C@H](Oc1cccnc1)C[N@@H+](C1CCC1)C2 ZINC000253588410 383464294 /nfs/dbraw/zinc/46/42/94/383464294.db2.gz BPDKPEIESABJMJ-KRWDZBQOSA-N 1 0 283.375 2.699 40 0 CFABRO c1ccc(C[C@@H]2CCCN(c3cc[nH+]cc3)C2)nc1 ZINC000257243609 383493755 /nfs/dbraw/zinc/49/37/55/383493755.db2.gz IHUFVAVUTPTHSN-AWEZNQCLSA-N 1 0 253.349 2.936 40 0 CFABRO O=S(=O)(c1cc(Cl)ccc1Cl)C1CC[NH2+]CC1 ZINC000083296841 285046346 /nfs/dbraw/zinc/04/63/46/285046346.db2.gz WMMDYJHKXRFCQK-UHFFFAOYSA-N 1 0 294.203 2.519 40 0 CFABRO CCN(Cc1ncc[nH]1)[C@H]1C[N@H+](C)C2(C1)CCCCC2 ZINC000257223939 285129565 /nfs/dbraw/zinc/12/95/65/285129565.db2.gz DZPHXRNKMAUJNP-CQSZACIVSA-N 1 0 276.428 2.639 40 0 CFABRO c1ccc(C[C@H]2C[NH2+]CC[C@H]2OCc2ccncc2)cc1 ZINC000096207035 256824396 /nfs/dbraw/zinc/82/43/96/256824396.db2.gz FRQYJKJRJBZESG-ZWKOTPCHSA-N 1 0 282.387 2.819 40 0 CFABRO C[NH+]1CCN(c2ccc(SC(C)(C)C)cn2)CC1 ZINC000072225538 393647825 /nfs/dbraw/zinc/64/78/25/393647825.db2.gz KBOAQFKEASQVSG-UHFFFAOYSA-N 1 0 265.426 2.724 40 0 CFABRO CC[C@@H]([C@@H]([NH3+])c1ccc(Cl)cc1Cl)S(C)(=O)=O ZINC000096524905 393838177 /nfs/dbraw/zinc/83/81/77/393838177.db2.gz LCYHSDRUEJQHOS-QWRGUYRKSA-N 1 0 296.219 2.816 40 0 CFABRO Cc1cccc(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCCC[C@@H]24)[NH2+]3)n1 ZINC000257326935 393945016 /nfs/dbraw/zinc/94/50/16/393945016.db2.gz WZDSWHRYYUUMEG-SCNOPHJPSA-N 1 0 299.418 2.525 40 0 CFABRO CC(C)[C@H]([NH3+])c1nocc1C(=O)Nc1ccccc1 ZINC000072208416 397590311 /nfs/dbraw/zinc/59/03/11/397590311.db2.gz LXXRPNRDXOTGLE-LBPRGKRZSA-N 1 0 259.309 2.583 40 0 CFABRO C[NH+](C)CCn1cc(-c2cccc(Br)c2)cn1 ZINC000072209973 397590622 /nfs/dbraw/zinc/59/06/22/397590622.db2.gz FAGGKBQQZYBVSH-UHFFFAOYSA-N 1 0 294.196 2.874 40 0 CFABRO c1cc(-c2cnc(C3CC3)nc2[C@@H]2CCC[NH2+]C2)ccn1 ZINC000257243398 296601841 /nfs/dbraw/zinc/60/18/41/296601841.db2.gz IGUGBOFWSCTAGP-CQSZACIVSA-N 1 0 280.375 2.883 40 0 CFABRO COc1ccc([C@H]2CC(N)=[NH+]N2c2ccccc2)cc1 ZINC000222547396 286377266 /nfs/dbraw/zinc/37/72/66/286377266.db2.gz XCOYDYDKPIBMIT-OAHLLOKOSA-N 1 0 267.332 2.919 40 0 CFABRO CN(C)c1ccc(C(=O)OCC[NH2+]C2CCCCC2)cc1 ZINC000001710498 169747747 /nfs/dbraw/zinc/74/77/47/169747747.db2.gz JVFASLATVVQJFC-UHFFFAOYSA-N 1 0 290.407 2.832 40 0 CFABRO CC[NH+](CC)CCCOC(=O)/C=C/c1ccccc1 ZINC000002037902 169770577 /nfs/dbraw/zinc/77/05/77/169770577.db2.gz CHLMFHKZCVSJIJ-VAWYXSNFSA-N 1 0 261.365 2.975 40 0 CFABRO CC[C@H](OC[C@H](O)C[NH2+]C(C)(C)C)c1ccccc1 ZINC000002694592 169820656 /nfs/dbraw/zinc/82/06/56/169820656.db2.gz YPOIOMRSTNTUEO-CABCVRRESA-N 1 0 265.397 2.903 40 0 CFABRO CC[NH+](CC)C[C@@H]1CO[C@H](/C=C/c2ccccc2)O1 ZINC000005453589 170100624 /nfs/dbraw/zinc/10/06/24/170100624.db2.gz WPIFPOQOKPIPPX-PCCNWKQFSA-N 1 0 261.365 2.783 40 0 CFABRO CC[NH+](CC)C[C@H]1CO[C@@H](/C=C/c2ccccc2)O1 ZINC000005453647 170100643 /nfs/dbraw/zinc/10/06/43/170100643.db2.gz WPIFPOQOKPIPPX-ZBYDSPNZSA-N 1 0 261.365 2.783 40 0 CFABRO CCOC(=O)c1c(C)nc(C)cc1C[NH+](CC)CC ZINC000005672182 170126366 /nfs/dbraw/zinc/12/63/66/170126366.db2.gz AWJMFYWSDBIPJI-UHFFFAOYSA-N 1 0 264.369 2.717 40 0 CFABRO COc1ccc(OC[C@@H](O)C[NH+]2[C@H](C)CCC[C@H]2C)cc1 ZINC000005722070 170133062 /nfs/dbraw/zinc/13/30/62/170133062.db2.gz OXMWHERAWFMKDW-KFWWJZLASA-N 1 0 293.407 2.698 40 0 CFABRO COc1cc([C@@H](C)O)c[n+](CCc2c[nH]c3ccccc23)c1 ZINC000006443257 170201984 /nfs/dbraw/zinc/20/19/84/170201984.db2.gz CPFMCRHJMHTACX-CYBMUJFWSA-N 1 0 297.378 2.760 40 0 CFABRO CC(C)(C)[NH2+]C[C@@H](O)CO[C@@H]1C(C)(C)[C@H]2CC[C@]1(C)C2 ZINC000006617329 170219316 /nfs/dbraw/zinc/21/93/16/170219316.db2.gz UFIRONLXRKAFNH-ZOMKSWQUSA-N 1 0 283.456 2.967 40 0 CFABRO C[C@@H]([NH2+]C[C@@H](O)COC(C)(C)C)c1ccccc1 ZINC000007636337 170294565 /nfs/dbraw/zinc/29/45/65/170294565.db2.gz SDDLOZBXFNVCLQ-TZMCWYRMSA-N 1 0 251.370 2.513 40 0 CFABRO Cc1ccccc1C[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000009062869 170362853 /nfs/dbraw/zinc/36/28/53/170362853.db2.gz LEBVPVGPHCIBRC-UHFFFAOYSA-N 1 0 286.419 2.829 40 0 CFABRO COc1cc(C=O)ccc1OCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000009261311 170369393 /nfs/dbraw/zinc/36/93/93/170369393.db2.gz UHWHRUXWSVWVIU-ZIAGYGMSSA-N 1 0 291.391 2.864 40 0 CFABRO Cc1cccc(NC(=S)NC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000009876119 170388561 /nfs/dbraw/zinc/38/85/61/170388561.db2.gz BZJXWFILOYBWAF-ZDUSSCGKSA-N 1 0 277.437 2.623 40 0 CFABRO [NH3+]CCc1ncc(-c2ccc(Br)cc2)o1 ZINC000011587014 170422790 /nfs/dbraw/zinc/42/27/90/170422790.db2.gz CRFFNSAUWNOGKT-UHFFFAOYSA-N 1 0 267.126 2.605 40 0 CFABRO O=C(Nc1cccc(OC(F)(F)F)c1)C1CC[NH2+]CC1 ZINC000019413273 170790280 /nfs/dbraw/zinc/79/02/80/170790280.db2.gz JYOWJZNOFUADMM-UHFFFAOYSA-N 1 0 288.269 2.523 40 0 CFABRO Cc1ccc(Cn2c3ccccc3nc2CC[NH3+])cc1 ZINC000019734077 170848195 /nfs/dbraw/zinc/84/81/95/170848195.db2.gz CFVCFDNPLCGCBC-UHFFFAOYSA-N 1 0 265.360 2.894 40 0 CFABRO CC[C@H]1CN2CC[C@H]1C[C@@H]2C[NH2+]Cc1cccs1 ZINC000020503750 171227612 /nfs/dbraw/zinc/22/76/12/171227612.db2.gz HXBJJCRVGBAZDO-MELADBBJSA-N 1 0 264.438 2.958 40 0 biogenic,in-vitro CFABRO Cc1ccc(CC(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000030754765 171622853 /nfs/dbraw/zinc/62/28/53/171622853.db2.gz CBFQIGFLEKKPJH-UHFFFAOYSA-N 1 0 274.408 2.530 40 0 CFABRO CNc1ccc(-c2noc([C@@H]3CCC[N@@H+]3CC3CC3)n2)cn1 ZINC000035426205 172193768 /nfs/dbraw/zinc/19/37/68/172193768.db2.gz MDYALPIYDKRKBY-ZDUSSCGKSA-N 1 0 299.378 2.720 40 0 biogenic,in-vitro CFABRO O[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000038539853 174145539 /nfs/dbraw/zinc/14/55/39/174145539.db2.gz DMSNRIJBUKGIEE-LBPRGKRZSA-N 1 0 259.271 2.662 40 0 CFABRO CC(C)(C)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000061226444 175643246 /nfs/dbraw/zinc/64/32/46/175643246.db2.gz BBQQVAKROVEJBP-UHFFFAOYSA-N 1 0 274.408 2.945 40 0 CFABRO CCSc1ccc(Cl)cc1CN1CC[NH2+]CC1 ZINC000071454237 176177185 /nfs/dbraw/zinc/17/71/85/176177185.db2.gz DDBIFXNWQXCEMP-UHFFFAOYSA-N 1 0 270.829 2.857 40 0 CFABRO CC1(C)[NH2+]CCO[C@H]1c1cccc(Br)c1 ZINC000071601289 176228413 /nfs/dbraw/zinc/22/84/13/176228413.db2.gz IRXZBENCDALEJM-NSHDSACASA-N 1 0 270.170 2.889 40 0 CFABRO Fc1cccc(Cl)c1CNC[C@@H]1CCCC[NH2+]1 ZINC000072203663 176341585 /nfs/dbraw/zinc/34/15/85/176341585.db2.gz FSFQEKZOGGVCAY-JTQLQIEISA-N 1 0 256.752 2.711 40 0 CFABRO [NH3+][C@H]1CCCN(Cc2cc(Cl)ccc2Cl)C1 ZINC000072203561 176341771 /nfs/dbraw/zinc/34/17/71/176341771.db2.gz PPSBCDZUGUGKHP-NSHDSACASA-N 1 0 259.180 2.917 40 0 CFABRO CC(C)c1nccn1-c1nccnc1[C@H]1CCC[N@H+](C)C1 ZINC000072350498 176373513 /nfs/dbraw/zinc/37/35/13/176373513.db2.gz UYSBSZOTKPWHKY-ZDUSSCGKSA-N 1 0 285.395 2.595 40 0 CFABRO Cc1cc(N(C)C)cc([C@@H]2CCCN2c2ncccn2)[nH+]1 ZINC000072356651 176375640 /nfs/dbraw/zinc/37/56/40/176375640.db2.gz NDMKOFGPTQTQSP-HNNXBMFYSA-N 1 0 283.379 2.588 40 0 CFABRO CC[N@@H+]1CCC[C@@H](c2cc(Nc3ncccn3)nc(C)n2)C1 ZINC000072363445 176378299 /nfs/dbraw/zinc/37/82/99/176378299.db2.gz GSTXBHWKDDDLLY-CYBMUJFWSA-N 1 0 298.394 2.518 40 0 CFABRO COc1ccc(Cc2cncc(CC[C@@H]3CCC[NH2+]3)n2)cc1 ZINC000072365017 176379873 /nfs/dbraw/zinc/37/98/73/176379873.db2.gz MNAQXSVSWLKKFR-HNNXBMFYSA-N 1 0 297.402 2.761 40 0 CFABRO COc1ccccc1Cc1cc([C@H]2CCC[NH2+]C2)nc(C)n1 ZINC000072365277 176380795 /nfs/dbraw/zinc/38/07/95/176380795.db2.gz VQEMZCJHKPDKAN-HNNXBMFYSA-N 1 0 297.402 2.851 40 0 CFABRO c1ccc(CCNc2ncccc2CC[C@@H]2CCC[NH2+]2)nc1 ZINC000072366323 176381260 /nfs/dbraw/zinc/38/12/60/176381260.db2.gz HRCCNCWLIFABBE-INIZCTEOSA-N 1 0 296.418 2.816 40 0 CFABRO Cc1cc(C)n(C2CC[NH+](Cc3ccncc3)CC2)n1 ZINC000072367925 176382306 /nfs/dbraw/zinc/38/23/06/176382306.db2.gz QMYQFCYUBODQQY-UHFFFAOYSA-N 1 0 270.380 2.732 40 0 CFABRO C[N@@H+]1CCCC[C@H]1c1ccc(Nc2cnccn2)nc1 ZINC000072372054 176383925 /nfs/dbraw/zinc/38/39/25/176383925.db2.gz JDDGSYJRHQQLGU-ZDUSSCGKSA-N 1 0 269.352 2.772 40 0 CFABRO Cc1cccc(C[N@@H+]2CC[C@@H](c3nc(C)cc(C)n3)C2)n1 ZINC000072369722 176384125 /nfs/dbraw/zinc/38/41/25/176384125.db2.gz QQROMQMKZRNMCF-OAHLLOKOSA-N 1 0 282.391 2.786 40 0 CFABRO C[N@@H+]1CCCC[C@@H]1c1ccnc(Nc2ccccn2)n1 ZINC000072377368 176386228 /nfs/dbraw/zinc/38/62/28/176386228.db2.gz GVCPCVRZOUWHFB-CYBMUJFWSA-N 1 0 269.352 2.772 40 0 CFABRO Fc1ccc(Cc2cnc(C3CC[NH2+]CC3)cn2)cc1 ZINC000072384571 176388883 /nfs/dbraw/zinc/38/88/83/176388883.db2.gz PCMWQRZZVOKHCU-UHFFFAOYSA-N 1 0 271.339 2.674 40 0 CFABRO Fc1ccc(Cc2cnc([C@H]3CCC[NH2+]3)cn2)cc1 ZINC000072384570 176388960 /nfs/dbraw/zinc/38/89/60/176388960.db2.gz ZGHOLUBTWCCKQX-CQSZACIVSA-N 1 0 257.312 2.631 40 0 CFABRO Cc1cncc(C2CC[NH+](Cc3ccncc3)CC2)n1 ZINC000072385022 176389518 /nfs/dbraw/zinc/38/95/18/176389518.db2.gz XMKXIELEDAFKIN-UHFFFAOYSA-N 1 0 268.364 2.560 40 0 CFABRO Cn1c(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)nc2ccccc21 ZINC000072385295 176389890 /nfs/dbraw/zinc/38/98/90/176389890.db2.gz CTJYTWXDPMAYFV-ZDUSSCGKSA-N 1 0 295.390 2.676 40 0 CFABRO Cc1c(C[N@@H+]2CCC[C@@H](Cc3nccs3)C2)cnn1C ZINC000072385657 176390528 /nfs/dbraw/zinc/39/05/28/176390528.db2.gz ZRICJUYRZZNPEQ-ZDUSSCGKSA-N 1 0 290.436 2.640 40 0 CFABRO CNc1ncccc1C[N@@H+]1CCC[C@@H](Cc2cccnc2)C1 ZINC000072386203 176391692 /nfs/dbraw/zinc/39/16/92/176391692.db2.gz LDCSDOJTKMMBQR-INIZCTEOSA-N 1 0 296.418 2.973 40 0 CFABRO Cc1ccc(Cc2cnc([C@H]3CCC[NH2+]3)cn2)cc1 ZINC000072386826 176392375 /nfs/dbraw/zinc/39/23/75/176392375.db2.gz JCCFOSKXGYXYEN-OAHLLOKOSA-N 1 0 253.349 2.800 40 0 CFABRO C[C@H]1CCC[N@H+](CCCNC(=O)NC2CCCCC2)C1 ZINC000077826839 177303358 /nfs/dbraw/zinc/30/33/58/177303358.db2.gz YQQOOXGHECOKRS-AWEZNQCLSA-N 1 0 281.444 2.740 40 0 CFABRO CC(C)N(C[C@H]1CCC[NH2+]1)C(=O)OCc1ccccc1 ZINC000079437828 177491172 /nfs/dbraw/zinc/49/11/72/177491172.db2.gz NKPKKALLTFSNHX-OAHLLOKOSA-N 1 0 276.380 2.786 40 0 CFABRO [NH2+]=C(NO)[C@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000409419429 262351735 /nfs/dbraw/zinc/35/17/35/262351735.db2.gz DIXIVBWOMMFYSA-UWVGGRQHSA-N 1 0 263.728 2.760 40 0 CFABRO CC(C)c1ccccc1OC[C@H](O)C[NH+]1CCCC1 ZINC000001475849 273567494 /nfs/dbraw/zinc/56/74/94/273567494.db2.gz RVDKJWPICJKRAQ-CQSZACIVSA-N 1 0 263.381 2.646 40 0 CFABRO CC1(C)Oc2c(O)cccc2[C@@H]2O[C@@H]3CC[NH2+]C[C@@H]3C[C@H]21 ZINC000257245260 273592351 /nfs/dbraw/zinc/59/23/51/273592351.db2.gz IORYEVBZNMXJDJ-BTQDYEIMSA-N 1 0 289.375 2.619 40 0 CFABRO Brc1ccc2c(c1)CCC[C@@]21CC[NH2+]1 ZINC000306145277 275370522 /nfs/dbraw/zinc/37/05/22/275370522.db2.gz AGKUCMUNPRFTAS-GFCCVEGCSA-N 1 0 252.155 2.974 40 0 CFABRO C[NH+]1CCC2(CC1)CC(=O)c1ccc(Cl)cc1O2 ZINC000225826345 277035597 /nfs/dbraw/zinc/03/55/97/277035597.db2.gz KTLSLSPFTAKFOX-UHFFFAOYSA-N 1 0 265.740 2.770 40 0 CFABRO C[N@@H+]1CCc2cc3c(c4c2[C@H]1CC41CCC(=O)CC1)OCO3 ZINC000004073963 277187473 /nfs/dbraw/zinc/18/74/73/277187473.db2.gz PNRVHNMGNLQXPN-CYBMUJFWSA-N 1 0 299.370 2.729 40 0 biogenic,in-vitro CFABRO COc1ccc(Br)c([C@@H]2CCC[NH2+]2)c1 ZINC000019505798 277869366 /nfs/dbraw/zinc/86/93/66/277869366.db2.gz YGIHSRFFFWVFRQ-NSHDSACASA-N 1 0 256.143 2.882 40 0 CFABRO COc1ccc([C@@H]2CCC[NH2+]2)cc1Br ZINC000038073969 277927534 /nfs/dbraw/zinc/92/75/34/277927534.db2.gz QWDMTQUIPNUQNL-JTQLQIEISA-N 1 0 256.143 2.882 40 0 CFABRO CC(C)(C)OC(=O)N1CCC[C@]12CCC[NH2+]CC2 ZINC000091304165 278396591 /nfs/dbraw/zinc/39/65/91/278396591.db2.gz MGZOCYLFFOCYGH-AWEZNQCLSA-N 1 0 254.374 2.530 40 0 CFABRO C[n+]1cc(Br)cc(-c2nc3ccccc3[nH]2)c1 ZINC000226774301 280181117 /nfs/dbraw/zinc/18/11/17/280181117.db2.gz UKSXCNLDLPCFMD-UHFFFAOYSA-N 1 0 289.156 2.817 40 0 CFABRO C[C@H]1CCCN([C@@H](C[NH3+])c2cc(F)ccc2F)C1 ZINC000037233466 290453212 /nfs/dbraw/zinc/45/32/12/290453212.db2.gz IVLWCLGNKWTENP-HZMBPMFUSA-N 1 0 254.324 2.697 40 0 CFABRO [NH3+]C[C@H](c1ccc(Br)cc1)N1CCCCC1 ZINC000038860360 295264627 /nfs/dbraw/zinc/26/46/27/295264627.db2.gz NSRCIPSOSWUQSE-CYBMUJFWSA-N 1 0 283.213 2.935 40 0 CFABRO Cc1ccc(C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)nc1 ZINC000257250260 327129388 /nfs/dbraw/zinc/12/93/88/327129388.db2.gz JLUJSJLOOPMYSQ-DLBZAZTESA-N 1 0 274.408 2.873 40 0 CFABRO CCNc1nc(NCc2ccc(C)cc2)cc(C2CC2)[nH+]1 ZINC000329060189 521731635 /nfs/dbraw/zinc/73/16/35/521731635.db2.gz WJWNPRWXHYAIOE-UHFFFAOYSA-N 1 0 282.391 2.550 40 0 CFABRO [NH3+][C@H](CNC(=O)OCc1ccccc1)c1ccccc1 ZINC000032914889 527387245 /nfs/dbraw/zinc/38/72/45/527387245.db2.gz PRGWXRXVMOOPKN-OAHLLOKOSA-N 1 0 270.332 2.613 40 0 CFABRO FC(F)Oc1cccc(C[NH2+]C[C@H]2CCCO2)c1 ZINC000062700663 527696527 /nfs/dbraw/zinc/69/65/27/527696527.db2.gz INFXRBDIFSMFHE-GFCCVEGCSA-N 1 0 257.280 2.557 40 0 CFABRO C(C1CCC1)[N@@H+]1C[C@@H]2C[C@@H](c3nnc(C4CC4)o3)O[C@@H]2C1 ZINC000096045834 185071066 /nfs/dbraw/zinc/07/10/66/185071066.db2.gz NIPROSXRUTYAHP-MELADBBJSA-N 1 0 289.379 2.509 40 0 CFABRO CCN1CCC2(CC[NH+](Cc3cccs3)CC2)C1=O ZINC000096046734 185071449 /nfs/dbraw/zinc/07/14/49/185071449.db2.gz OXQGXWWOSKQTED-UHFFFAOYSA-N 1 0 278.421 2.583 40 0 CFABRO c1csc(C[NH+]2C[C@@H]3CN(Cc4cccnc4)C[C@H]3C2)c1 ZINC000096053724 185073734 /nfs/dbraw/zinc/07/37/34/185073734.db2.gz ACJOLGHVDXJSNP-HOTGVXAUSA-N 1 0 299.443 2.707 40 0 CFABRO CN1C(=O)C[C@@H](c2ccccc2)C12CC[NH+](CC1CC1)CC2 ZINC000096061447 185082897 /nfs/dbraw/zinc/08/28/97/185082897.db2.gz RYLVRLNFKBCXRV-KRWDZBQOSA-N 1 0 298.430 2.877 40 0 CFABRO CCCCC[NH+]1CCC2(CN(C(=O)C(C)C)C2)CC1 ZINC000096092831 185094820 /nfs/dbraw/zinc/09/48/20/185094820.db2.gz LXOXDIMLHABNFW-UHFFFAOYSA-N 1 0 266.429 2.757 40 0 CFABRO COC[C@@H]1C[N@H+](Cc2sccc2C)Cc2cn(C)nc21 ZINC000096100570 185098189 /nfs/dbraw/zinc/09/81/89/185098189.db2.gz DWKJZSKPKHYJRG-ZDUSSCGKSA-N 1 0 291.420 2.536 40 0 CFABRO CO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccc(C)s1)C2 ZINC000096107416 185099810 /nfs/dbraw/zinc/09/98/10/185099810.db2.gz MFASKFUXRSOFJH-ZFWWWQNUSA-N 1 0 281.421 2.826 40 0 CFABRO CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccc(C)o1)C2 ZINC000096107445 185100025 /nfs/dbraw/zinc/10/00/25/185100025.db2.gz YVNVCESMJMWLDZ-HOTGVXAUSA-N 1 0 279.380 2.748 40 0 CFABRO c1ccc(C[C@H]2C[NH2+]CC[C@@H]2OCc2ccncc2)cc1 ZINC000096110622 185100673 /nfs/dbraw/zinc/10/06/73/185100673.db2.gz FRQYJKJRJBZESG-ROUUACIJSA-N 1 0 282.387 2.819 40 0 CFABRO O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccsc2)N1CC1CC1 ZINC000096110743 185100879 /nfs/dbraw/zinc/10/08/79/185100879.db2.gz JNEBEKXGHGFKSK-HUUCEWRRSA-N 1 0 290.432 2.723 40 0 CFABRO C[NH+]1CCC(C(=O)NC2CCCCCCC2)CC1 ZINC000096624948 185108076 /nfs/dbraw/zinc/10/80/76/185108076.db2.gz GSJMGZBEMSFYDG-UHFFFAOYSA-N 1 0 252.402 2.557 40 0 CFABRO Cc1ccc(CCC(=O)NCC[NH+]2CCCCCC2)cc1 ZINC000010329260 346226738 /nfs/dbraw/zinc/22/67/38/346226738.db2.gz RRVCXNKRMWEJRY-UHFFFAOYSA-N 1 0 288.435 2.920 40 0 CFABRO CCN(C(=O)C[NH+]1CCC(C)CC1)c1ccccc1 ZINC000047080882 346444181 /nfs/dbraw/zinc/44/41/81/346444181.db2.gz UCSIPZPUKBSPHS-UHFFFAOYSA-N 1 0 260.381 2.771 40 0 CFABRO COc1ccc([C@@H]2C[NH2+][C@H]3CCCC[C@@H]23)cc1OC ZINC000144543239 347941693 /nfs/dbraw/zinc/94/16/93/347941693.db2.gz OPRYKPBAEBDSPG-IHRRRGAJSA-N 1 0 261.365 2.949 40 0 CFABRO CCCOc1ccc(Cl)cc1-c1noc(C[NH2+]C)n1 ZINC000256049490 348305196 /nfs/dbraw/zinc/30/51/96/348305196.db2.gz AEAVFEHWBXJYCD-UHFFFAOYSA-N 1 0 281.743 2.898 40 0 CFABRO Brc1ccccc1[C@H]1C[NH2+]CC12CC2 ZINC000409434229 348601581 /nfs/dbraw/zinc/60/15/81/348601581.db2.gz VOZFTCXXYLYLGB-SNVBAGLBSA-N 1 0 252.155 2.916 40 0 CFABRO c1cc([C@H](C2CCSCC2)N2CC[NH2+]CC2)cs1 ZINC000409439426 348602614 /nfs/dbraw/zinc/60/26/14/348602614.db2.gz HHVATLLMBKRKQK-AWEZNQCLSA-N 1 0 282.478 2.838 40 0 CFABRO CN(C(=O)OC(C)(C)C)[C@H](C(=[NH2+])NO)c1ccccc1 ZINC000409442631 348603105 /nfs/dbraw/zinc/60/31/05/348603105.db2.gz YHXRYLKRDWDUSK-NSHDSACASA-N 1 0 279.340 2.551 40 0 CFABRO O[C@@H]1[C@H](Oc2cccc(F)c2)CC[C@H]1[NH+]1CCCCC1 ZINC000585287039 348738678 /nfs/dbraw/zinc/73/86/78/348738678.db2.gz ZVKQLEXGBYGWHK-OAGGEKHMSA-N 1 0 279.355 2.582 40 0 CFABRO Cc1cc(C)nc(N2CC[C@@H]3[C@@H](C[N@H+]3CCC(C)C)C2)n1 ZINC000585107939 348734373 /nfs/dbraw/zinc/73/43/73/348734373.db2.gz GSXICFHFHPAPLS-JKSUJKDBSA-N 1 0 288.439 2.650 40 0 CFABRO CC(C)(C)OC(=O)N1CC(C[NH2+]Cc2ccc(F)cc2)C1 ZINC000090635721 180016393 /nfs/dbraw/zinc/01/63/93/180016393.db2.gz HECUFLGFQXRLNB-UHFFFAOYSA-N 1 0 294.370 2.782 40 0 CFABRO c1ccc(-c2ccc3nc(C4CC[NH2+]CC4)nn3c2)cc1 ZINC000107488208 186175420 /nfs/dbraw/zinc/17/54/20/186175420.db2.gz DDCFCWFAKKPKBN-UHFFFAOYSA-N 1 0 278.359 2.863 40 0 CFABRO CCOC[C@@H]1CC[C@H]2[C@H](CC[N@@H+]2Cc2ccsc2)O1 ZINC000107204807 186162544 /nfs/dbraw/zinc/16/25/44/186162544.db2.gz QTZCVHWBZNTRQW-KKUMJFAQSA-N 1 0 281.421 2.907 40 0 CFABRO O=C1CCC2(CC[NH+](Cc3cccc(Cl)c3)CC2)CN1 ZINC000108533801 186222213 /nfs/dbraw/zinc/22/22/13/186222213.db2.gz XYAIWOIPYOJQFD-UHFFFAOYSA-N 1 0 292.810 2.832 40 0 CFABRO CCN(C(=O)OC(C)(C)C)[C@H]1CCCC[C@@H]1[NH2+]C ZINC000079437619 284193982 /nfs/dbraw/zinc/19/39/82/284193982.db2.gz PCMJKANNIJUKKE-RYUDHWBXSA-N 1 0 256.390 2.774 40 0 CFABRO Cc1ccc(OC[C@H](O)C[NH2+]C(C)(C)C)c(C(C)(C)C)n1 ZINC000000321360 371587418 /nfs/dbraw/zinc/58/74/18/371587418.db2.gz IPSUZYFHLPZCTI-CYBMUJFWSA-N 1 0 294.439 2.815 40 0 CFABRO CC[C@]1(c2ccccc2)OC[C@@H]([C@@H]2CCCC[NH2+]2)O1 ZINC000001564996 371680717 /nfs/dbraw/zinc/68/07/17/371680717.db2.gz INOYCBNLWYEPSB-JYJNAYRXSA-N 1 0 261.365 2.807 40 0 in-man CFABRO CC[NH+](CC)CC(=O)Nc1cc(Cl)ccc1OC ZINC000001669909 371693494 /nfs/dbraw/zinc/69/34/94/371693494.db2.gz FTJVXCGWBDSZOX-UHFFFAOYSA-N 1 0 270.760 2.629 40 0 CFABRO Brc1ccc[n+](CCc2ccccc2)c1 ZINC000001668332 371693748 /nfs/dbraw/zinc/69/37/48/371693748.db2.gz VRMQYTNCDGRARI-UHFFFAOYSA-N 1 0 263.158 2.979 40 0 CFABRO C[C@H](O)C[NH2+][C@H](Cc1ccccc1)c1ccc2c(c1)OCO2 ZINC000001666295 371693959 /nfs/dbraw/zinc/69/39/59/371693959.db2.gz OZMCZZMHGXRKFP-XJKSGUPXSA-N 1 0 299.370 2.670 40 0 CFABRO C[C@@H](O)C[NH2+][C@H](Cc1ccccc1)c1ccc2c(c1)OCO2 ZINC000001666296 371694088 /nfs/dbraw/zinc/69/40/88/371694088.db2.gz OZMCZZMHGXRKFP-CZUORRHYSA-N 1 0 299.370 2.670 40 0 CFABRO COc1ccc(Cl)cc1[C@@H](O)C[NH+]1CCCCC1 ZINC000001665242 371694181 /nfs/dbraw/zinc/69/41/81/371694181.db2.gz ZGXCAOPGTZQGKW-ZDUSSCGKSA-N 1 0 269.772 2.868 40 0 CFABRO CCCCC[NH2+][C@H](C)COC(=O)c1ccc(N)cc1 ZINC000001669890 371694242 /nfs/dbraw/zinc/69/42/42/371694242.db2.gz RYYJEDYRQTWXPX-GFCCVEGCSA-N 1 0 264.369 2.594 40 0 CFABRO Cc1ccc([C@H](Cc2ccccc2)[NH2+]CCO)cc1 ZINC000001666276 371694338 /nfs/dbraw/zinc/69/43/38/371694338.db2.gz UOSZUNWHAUAYDN-KRWDZBQOSA-N 1 0 255.361 2.861 40 0 CFABRO CC[C@H](OC[C@H](O)C[NH2+]C(C)C)c1ccccc1 ZINC000002694586 371746284 /nfs/dbraw/zinc/74/62/84/371746284.db2.gz XECFMMKOXGMUIT-CABCVRRESA-N 1 0 251.370 2.513 40 0 CFABRO CC(=O)O[C@@H]1[C@@H]2CCC[C@H]1CC[C@H]2[NH+]1CCCCC1 ZINC000004024121 371829604 /nfs/dbraw/zinc/82/96/04/371829604.db2.gz KSJDJOYKEJTGAN-JJXSEGSLSA-N 1 0 265.397 2.983 40 0 CFABRO COc1cc2c(cc1O)[C@@H](Cc1ccccc1)[NH2+]CC2 ZINC000003847352 371820116 /nfs/dbraw/zinc/82/01/16/371820116.db2.gz DEXYHUSGCBRSQF-OAHLLOKOSA-N 1 0 269.344 2.830 40 0 CFABRO CC(=O)O[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)[C@@H]1C ZINC000004601843 371867976 /nfs/dbraw/zinc/86/79/76/371867976.db2.gz CESFOVNVFNXRAX-ZENOOKHLSA-N 1 0 261.365 2.849 40 0 CFABRO Cc1cccc(C(=O)NCCC[NH+]2CCCCCC2)c1 ZINC000013674260 372039723 /nfs/dbraw/zinc/03/97/23/372039723.db2.gz YAKWHWPOSBYZDN-UHFFFAOYSA-N 1 0 274.408 2.991 40 0 CFABRO COC(=O)CC1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000015423820 372083236 /nfs/dbraw/zinc/08/32/36/372083236.db2.gz DWGHUAPYGBXTRI-UHFFFAOYSA-N 1 0 261.365 2.770 40 0 CFABRO [NH3+][C@@H]1CCCN(Cc2ccncc2)[C@H]1c1ccccc1F ZINC000019368256 372158606 /nfs/dbraw/zinc/15/86/06/372158606.db2.gz SDTIELYVCUBCQE-SJORKVTESA-N 1 0 285.366 2.885 40 0 CFABRO O=C(Nc1cc(Cl)ccc1Cl)C1CC[NH2+]CC1 ZINC000019410290 372160016 /nfs/dbraw/zinc/16/00/16/372160016.db2.gz VYZTZLUMBJVUNC-UHFFFAOYSA-N 1 0 273.163 2.932 40 0 CFABRO [NH3+]C[C@H](c1ccccc1Br)N1CCCCC1 ZINC000019484836 372168527 /nfs/dbraw/zinc/16/85/27/372168527.db2.gz KKFPURSJCLJUBR-CYBMUJFWSA-N 1 0 283.213 2.935 40 0 CFABRO COc1ccc(F)c(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000019575734 372175339 /nfs/dbraw/zinc/17/53/39/372175339.db2.gz LOBHCSUIXCUREU-GXTWGEPZSA-N 1 0 278.371 2.503 40 0 CFABRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc2ccccc2n1 ZINC000019575134 372176022 /nfs/dbraw/zinc/17/60/22/372176022.db2.gz JFSAATSINZRPLA-PBHICJAKSA-N 1 0 281.403 2.903 40 0 CFABRO CCN(CC)CC[NH2+]Cc1ccc(Br)cc1 ZINC000019919123 372209990 /nfs/dbraw/zinc/20/99/90/372209990.db2.gz ZDPILPJRTFPTPF-UHFFFAOYSA-N 1 0 285.229 2.881 40 0 CFABRO C[C@H](NC(=O)C1C[NH+](C2CCCCC2)C1)c1ccccn1 ZINC000019747532 372184395 /nfs/dbraw/zinc/18/43/95/372184395.db2.gz XXPTXWRZQCCNLN-ZDUSSCGKSA-N 1 0 287.407 2.523 40 0 CFABRO CCCCOc1ccccc1C[NH2+]CCCOC ZINC000032107265 372426265 /nfs/dbraw/zinc/42/62/65/372426265.db2.gz VSRUPLJIXKWLPQ-UHFFFAOYSA-N 1 0 251.370 2.992 40 0 CFABRO C[C@H]1CCC[C@H](C)[NH+]1C[C@H](O)COc1ccc(F)cc1 ZINC000035031484 372531378 /nfs/dbraw/zinc/53/13/78/372531378.db2.gz CEASHOGVRDNAAP-YDHLFZDLSA-N 1 0 281.371 2.828 40 0 CFABRO Cc1ccccc1OC[C@@H](O)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000035982995 372553518 /nfs/dbraw/zinc/55/35/18/372553518.db2.gz SMBKZOQPNGCSEO-LZWOXQAQSA-N 1 0 277.408 2.713 40 0 CFABRO CCOc1ccc([C@H](C[NH3+])N2CCC[C@H](C)C2)cc1 ZINC000036092744 372555660 /nfs/dbraw/zinc/55/56/60/372555660.db2.gz YLHITQLEVOFUJB-BBRMVZONSA-N 1 0 262.397 2.817 40 0 CFABRO Cc1ccc(C)c(NC(=O)COc2cccc(C[NH3+])c2)c1 ZINC000036720736 372586884 /nfs/dbraw/zinc/58/68/84/372586884.db2.gz WXJCQYCYOLNMEB-UHFFFAOYSA-N 1 0 284.359 2.780 40 0 CFABRO CC(C)[N@H+](CCO)Cc1cccc(Br)c1 ZINC000049826232 373319245 /nfs/dbraw/zinc/31/92/45/373319245.db2.gz WAKGOMKCEXFIKK-UHFFFAOYSA-N 1 0 272.186 2.652 40 0 CFABRO C[NH2+][C@@H]1CCCN(Cc2c(F)cccc2Cl)C1 ZINC000053201248 373469998 /nfs/dbraw/zinc/46/99/98/373469998.db2.gz AQGFQZFSCVLXTO-SNVBAGLBSA-N 1 0 256.752 2.663 40 0 CFABRO Cc1nn(C)cc1C[N@@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000057605201 373602508 /nfs/dbraw/zinc/60/25/08/373602508.db2.gz XDSBBFCWIABRKY-GOSISDBHSA-N 1 0 299.418 2.910 40 0 CFABRO [NH3+]Cc1cn(-c2ccc(Oc3ccccc3)cc2)nn1 ZINC000062245542 373757294 /nfs/dbraw/zinc/75/72/94/373757294.db2.gz JHRFLLZXZGURLQ-UHFFFAOYSA-N 1 0 266.304 2.518 40 0 CFABRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccc(Cl)cc3)C2)C1 ZINC000063527644 373809650 /nfs/dbraw/zinc/80/96/50/373809650.db2.gz VDURFZAZBKTOKF-INIZCTEOSA-N 1 0 292.810 2.898 40 0 CFABRO CC[C@H](C)Oc1ccc(C[NH2+]CCCOC)cc1OC ZINC000066116232 373912844 /nfs/dbraw/zinc/91/28/44/373912844.db2.gz IGLUWSPTIOTYIC-ZDUSSCGKSA-N 1 0 281.396 2.999 40 0 CFABRO CC(C)(C)C[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000067800922 374004196 /nfs/dbraw/zinc/00/41/96/374004196.db2.gz ZUNQDTVACYAOIU-NSHDSACASA-N 1 0 256.390 2.632 40 0 CFABRO C[NH+]1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000072977667 374310308 /nfs/dbraw/zinc/31/03/08/374310308.db2.gz XDLWJOPZAWZPTR-UHFFFAOYSA-N 1 0 270.735 2.759 40 0 CFABRO Cc1ccc(C2(O)CC[NH+](C(C)C)CC2)cc1F ZINC000079030432 374583922 /nfs/dbraw/zinc/58/39/22/374583922.db2.gz OMPWQCKDUBZWBQ-UHFFFAOYSA-N 1 0 251.345 2.826 40 0 CFABRO CC(C)[NH+]1CCC(O)(c2cc(F)c(F)c(F)c2)CC1 ZINC000079030467 374584521 /nfs/dbraw/zinc/58/45/21/374584521.db2.gz VHDRQNHOJZNLBO-UHFFFAOYSA-N 1 0 273.298 2.796 40 0 CFABRO CC(C)N(C(=O)C[NH3+])[C@H](C)c1cccc(Cl)c1 ZINC000079421126 374610295 /nfs/dbraw/zinc/61/02/95/374610295.db2.gz STQZXHUKEHJJNW-SNVBAGLBSA-N 1 0 254.761 2.597 40 0 CFABRO CC[NH2+][C@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1 ZINC000079437197 374611955 /nfs/dbraw/zinc/61/19/55/374611955.db2.gz IWDCYRRMPHXLBJ-GJZGRUSLSA-N 1 0 276.380 2.834 40 0 CFABRO Cc1cc(Cl)ccc1NC(=O)[C@H]1CCC[N@@H+](C)C1 ZINC000082324892 374735529 /nfs/dbraw/zinc/73/55/29/374735529.db2.gz XYZHDNMVFBBSLP-NSHDSACASA-N 1 0 266.772 2.929 40 0 CFABRO CN1C(=O)CCC[C@]12CCC[N@H+](Cc1ccc(F)cc1)C2 ZINC000096049964 375467952 /nfs/dbraw/zinc/46/79/52/375467952.db2.gz XKAMIBCKRNUJLU-QGZVFWFLSA-N 1 0 290.382 2.803 40 0 CFABRO FC1(F)CC[NH2+]C[C@@]12CCN(c1ccccc1)C2 ZINC000096078135 375468926 /nfs/dbraw/zinc/46/89/26/375468926.db2.gz FBSQOUNKDUCPEP-CYBMUJFWSA-N 1 0 252.308 2.512 40 0 CFABRO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095097521 375416255 /nfs/dbraw/zinc/41/62/55/375416255.db2.gz SIVVZWMWICPALD-OLZOCXBDSA-N 1 0 268.401 2.728 40 0 CFABRO COC[C@H]1CCC[C@]12C[N@H+](CCc1ccccc1)CCO2 ZINC000096159872 375471911 /nfs/dbraw/zinc/47/19/11/375471911.db2.gz QDYNNSUTVVGPIX-MSOLQXFVSA-N 1 0 289.419 2.747 40 0 CFABRO COCc1cncc2c1CC[N@H+](CC1CCCC1)C2 ZINC000096189298 375474527 /nfs/dbraw/zinc/47/45/27/375474527.db2.gz ZRCUVXRLRUMVIF-UHFFFAOYSA-N 1 0 260.381 2.776 40 0 CFABRO CCC[N@@H+]1CCC[C@@H]([C@@H]2c3ccccc3NC2=O)C1 ZINC000096260831 375481374 /nfs/dbraw/zinc/48/13/74/375481374.db2.gz BSSYYHRCZMIBOS-IUODEOHRSA-N 1 0 258.365 2.844 40 0 CFABRO CCc1ncnc2c1CC[N@H+](Cc1ccc(C)o1)CC2 ZINC000096255015 375482336 /nfs/dbraw/zinc/48/23/36/375482336.db2.gz IXFSJNOQQGXWAG-UHFFFAOYSA-N 1 0 271.364 2.541 40 0 CFABRO OC[C@H]1CCC[C@H]1[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000097233893 375543593 /nfs/dbraw/zinc/54/35/93/375543593.db2.gz BNFVVQYIFPBQFA-NUJGCVRESA-N 1 0 282.387 2.922 40 0 CFABRO Cc1c(C[NH2+]Cc2cnn(CC(C)C)c2)cnn1C(C)C ZINC000256051553 190003468 /nfs/dbraw/zinc/00/34/68/190003468.db2.gz JPLIEKFYLAXEMV-UHFFFAOYSA-N 1 0 289.427 2.915 40 0 CFABRO COc1ccc(C[NH2+]Cc2ccnn2C(F)F)cc1 ZINC000256053748 190004727 /nfs/dbraw/zinc/00/47/27/190004727.db2.gz SQYQDFGTZTTYBI-UHFFFAOYSA-N 1 0 267.279 2.577 40 0 CFABRO CC(C)Cn1cc(C[NH2+]Cc2cnn(C(C)C)c2)cn1 ZINC000256055025 190005549 /nfs/dbraw/zinc/00/55/49/190005549.db2.gz YVKGYLSUCOFHGF-UHFFFAOYSA-N 1 0 275.400 2.606 40 0 CFABRO Fc1cccc(Oc2nccnc2[C@H]2CCC[NH2+]C2)c1 ZINC000257198184 190011065 /nfs/dbraw/zinc/01/10/65/190011065.db2.gz VKFBDUYAEFLRSX-NSHDSACASA-N 1 0 273.311 2.875 40 0 CFABRO Fc1cccc(Oc2cncc(C3CC[NH2+]CC3)n2)c1 ZINC000257198080 190011074 /nfs/dbraw/zinc/01/10/74/190011074.db2.gz RYIHKZGFZSXYDB-UHFFFAOYSA-N 1 0 273.311 2.875 40 0 CFABRO CC(C)[N@@H+]1CCC[C@H](Cc2nccnc2-c2cc[nH]n2)C1 ZINC000257216205 190014024 /nfs/dbraw/zinc/01/40/24/190014024.db2.gz CTODRRSBXKFLPO-CYBMUJFWSA-N 1 0 285.395 2.530 40 0 CFABRO Cc1cn(C)c([C@H]2CC[N@H+](Cc3cccc(F)c3F)C2)n1 ZINC000257215940 190013417 /nfs/dbraw/zinc/01/34/17/190013417.db2.gz CSJIHWKMORKDLX-ZDUSSCGKSA-N 1 0 291.345 2.996 40 0 CFABRO CCn1cc(C[N@@H+]2CCC[C@@H]2CCc2ccncc2)cn1 ZINC000257215285 190013564 /nfs/dbraw/zinc/01/35/64/190013564.db2.gz CPLXMUGVENFQJD-QGZVFWFLSA-N 1 0 284.407 2.895 40 0 CFABRO CN(Cc1ccccc1)c1ccc(C[C@H]2CCC[NH2+]C2)nn1 ZINC000257216757 190013634 /nfs/dbraw/zinc/01/36/34/190013634.db2.gz CVXSEFSPKYSKBU-MRXNPFEDSA-N 1 0 296.418 2.655 40 0 CFABRO c1ccc(C[C@@H]2CC3(C[NH+](Cc4ccncc4)C3)CO2)cc1 ZINC000257224088 190015369 /nfs/dbraw/zinc/01/53/69/190015369.db2.gz FAFSSUDXBOKJFY-GOSISDBHSA-N 1 0 294.398 2.915 40 0 CFABRO Cc1cc(CC[C@H]2CCC[N@H+]2Cc2cnn(C)c2)ccn1 ZINC000257231015 190016509 /nfs/dbraw/zinc/01/65/09/190016509.db2.gz GEVARSUDPCKPCU-QGZVFWFLSA-N 1 0 284.407 2.721 40 0 CFABRO COc1cc(C[N@@H+]2CC[C@H](c3cc[nH]n3)C2)ccc1F ZINC000257234060 190016747 /nfs/dbraw/zinc/01/67/47/190016747.db2.gz GRXHPBIRCZFQJB-LBPRGKRZSA-N 1 0 275.327 2.547 40 0 CFABRO CCc1nccn1-c1cncc([C@H]2CCC[N@@H+]2C(C)C)n1 ZINC000257232796 190016908 /nfs/dbraw/zinc/01/69/08/190016908.db2.gz GMLOJCLCXRNPIP-CQSZACIVSA-N 1 0 285.395 2.770 40 0 CFABRO CC(C)n1cc(-c2cnc(C3CC[NH+](C)CC3)cn2)cn1 ZINC000257221228 190014615 /nfs/dbraw/zinc/01/46/15/190014615.db2.gz DOBCVPSEWBOAFN-UHFFFAOYSA-N 1 0 285.395 2.730 40 0 CFABRO COc1ccccc1Cc1cncc(CC[C@H]2CCC[NH2+]2)n1 ZINC000257225529 190015084 /nfs/dbraw/zinc/01/50/84/190015084.db2.gz FGPUFHOTDAWQKP-OAHLLOKOSA-N 1 0 297.402 2.761 40 0 CFABRO O=C(CCc1ccccc1)N1CCCC[C@H]2C[NH2+]CC[C@H]21 ZINC000257245611 190019606 /nfs/dbraw/zinc/01/96/06/190019606.db2.gz IQHLZYIDHVBYQZ-DLBZAZTESA-N 1 0 286.419 2.610 40 0 CFABRO c1ccc(Nc2cccc(CC3CC[NH2+]CC3)n2)nc1 ZINC000257266286 190023534 /nfs/dbraw/zinc/02/35/34/190023534.db2.gz MCHMRIMDPMGWGR-UHFFFAOYSA-N 1 0 268.364 2.762 40 0 CFABRO CCCn1cc(C[N@@H+]2CCC[C@H](c3nc(C)c[nH]3)C2)cn1 ZINC000257269242 190024104 /nfs/dbraw/zinc/02/41/04/190024104.db2.gz MPEJTEHDYTZTTI-HNNXBMFYSA-N 1 0 287.411 2.704 40 0 CFABRO Cc1cncc(C[N@@H+]2CCC[C@H](c3ccnc(C)n3)C2)c1 ZINC000257255545 190021186 /nfs/dbraw/zinc/02/11/86/190021186.db2.gz KHWYBPVQABMUJJ-INIZCTEOSA-N 1 0 282.391 2.868 40 0 CFABRO Cc1cccc(Nc2cc(C)nc([C@@H]3CCC[NH2+]C3)n2)n1 ZINC000257257558 190021503 /nfs/dbraw/zinc/02/15/03/190021503.db2.gz KQCRJWOLQMEYEN-CYBMUJFWSA-N 1 0 283.379 2.699 40 0 CFABRO Cc1c[nH]nc1[C@H]1CC[N@H+](CC2=Cc3ccccc3OC2)C1 ZINC000257281785 190026553 /nfs/dbraw/zinc/02/65/53/190026553.db2.gz OQZWXJCMXNAJOH-INIZCTEOSA-N 1 0 295.386 2.983 40 0 CFABRO Cc1ccc(C[C@@H]2CCC[N@H+](Cc3cnccn3)C2)cn1 ZINC000257273894 190024545 /nfs/dbraw/zinc/02/45/45/190024545.db2.gz NIQMGHBSFNOQFT-INIZCTEOSA-N 1 0 282.391 2.635 40 0 CFABRO Cc1cc(C)nc([C@H]2CC[N@@H+](Cc3ccnn3C(C)C)C2)n1 ZINC000257292935 190027800 /nfs/dbraw/zinc/02/78/00/190027800.db2.gz QNNKBLASCYCQRC-HNNXBMFYSA-N 1 0 299.422 2.860 40 0 CFABRO CCN1CCC([N@@H+]2CCC[C@@H]2CCc2ccncc2)CC1 ZINC000257301965 190030737 /nfs/dbraw/zinc/03/07/37/190030737.db2.gz SATSIBUHTVDBHW-QGZVFWFLSA-N 1 0 287.451 2.963 40 0 CFABRO c1ccc(C[N@H+]2C[C@@H]3[C@H](Oc4cccnc4)CC[C@@H]3C2)nc1 ZINC000257309196 190031060 /nfs/dbraw/zinc/03/10/60/190031060.db2.gz TZXOKUSJXMJCLR-FHLIZLRMSA-N 1 0 295.386 2.766 40 0 CFABRO Cc1nc[nH]c1C[N@H+]1CCC[C@H](c2ccnc(N(C)C)c2)C1 ZINC000257331596 190035466 /nfs/dbraw/zinc/03/54/66/190035466.db2.gz XTNQDOYKNBABIS-HNNXBMFYSA-N 1 0 299.422 2.559 40 0 CFABRO CNc1cc([C@H]2CCC[N@H+](Cc3cccn3C)C2)ccn1 ZINC000257334330 190036106 /nfs/dbraw/zinc/03/61/06/190036106.db2.gz YFLHQZYNWZQHKI-HNNXBMFYSA-N 1 0 284.407 2.841 40 0 CFABRO Cc1ccc(C[C@H]2CCC[N@H+](Cc3cnc[nH]3)C2)cn1 ZINC000257342870 190037739 /nfs/dbraw/zinc/03/77/39/190037739.db2.gz ZQKZOYSHUDHAKW-OAHLLOKOSA-N 1 0 270.380 2.568 40 0 CFABRO CC[C@@H](NC(=O)C1CC[NH+](C)CC1)c1ccc(C)cc1 ZINC000172737230 379637199 /nfs/dbraw/zinc/63/71/99/379637199.db2.gz SPIZMFHKYHHPQA-MRXNPFEDSA-N 1 0 274.408 2.904 40 0 CFABRO O[C@H](Cc1ccc(Br)cc1)C[NH+]1CCCCC1 ZINC000000055485 169519909 /nfs/dbraw/zinc/51/99/09/169519909.db2.gz ZTAGLHSCOKWIEI-CQSZACIVSA-N 1 0 298.224 2.838 40 0 CFABRO [NH3+][C@H]1CC[C@H](Oc2cccc(C(F)(F)F)n2)CC1 ZINC000299910580 382052297 /nfs/dbraw/zinc/05/22/97/382052297.db2.gz QQAFSCDJQDGVKW-KYZUINATSA-N 1 0 260.259 2.749 40 0 CFABRO c1cc([C@H]2CCC[N@@H+](Cc3ccc4c(c3)OCCO4)C2)n[nH]1 ZINC000195250721 382764970 /nfs/dbraw/zinc/76/49/70/382764970.db2.gz BIGYDQLSHPTYIN-AWEZNQCLSA-N 1 0 299.374 2.561 40 0 CFABRO CCOC(=O)[C@H](C[NH3+])[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000216350948 382783133 /nfs/dbraw/zinc/78/31/33/382783133.db2.gz MHWVLKHJFWLYSC-OZTPJHRESA-N 1 0 253.386 2.587 40 0 CFABRO CC(C)[C@H]([NH3+])c1nnc2ccc(-c3ccc(F)cc3)nn21 ZINC000217564856 382786728 /nfs/dbraw/zinc/78/67/28/382786728.db2.gz HUXKZFWCSOFXKM-AWEZNQCLSA-N 1 0 285.326 2.586 40 0 CFABRO c1csc(CCN2CC[NH2+][C@@H]3CCCC[C@H]32)c1 ZINC000218831290 382790943 /nfs/dbraw/zinc/79/09/43/382790943.db2.gz CFVCBVTVWWLKNC-ZIAGYGMSSA-N 1 0 250.411 2.507 40 0 CFABRO Cc1ccc(CC(=O)NCCC[NH+]2CCCCC2)c(C)c1 ZINC000223602820 382805733 /nfs/dbraw/zinc/80/57/33/382805733.db2.gz MRBNBSHSEOTTHT-UHFFFAOYSA-N 1 0 288.435 2.838 40 0 CFABRO Cc1ccnc(NC(=S)NCCC[NH+]2CCCCC2)c1 ZINC000225411537 382815434 /nfs/dbraw/zinc/81/54/34/382815434.db2.gz YUNMKGNJNKIJRV-UHFFFAOYSA-N 1 0 292.452 2.552 40 0 CFABRO Cc1cccc(NC(=S)NCCC[NH+]2CCCCC2)n1 ZINC000225411495 382815507 /nfs/dbraw/zinc/81/55/07/382815507.db2.gz FCTBPCHRCHNXQQ-UHFFFAOYSA-N 1 0 292.452 2.552 40 0 CFABRO CCn1c(C[NH2+]C[C@@H]2CCCO2)ccc1Cc1ccco1 ZINC000226021573 382824334 /nfs/dbraw/zinc/82/43/34/382824334.db2.gz KTRRBIADYUIGRO-KRWDZBQOSA-N 1 0 288.391 2.960 40 0 CFABRO [NH3+]Cc1ccc(CN2CCOc3ccccc32)cc1 ZINC000242463976 382985825 /nfs/dbraw/zinc/98/58/25/382985825.db2.gz DRFURKNBSLUJCE-UHFFFAOYSA-N 1 0 254.333 2.544 40 0 CFABRO COCC[C@@H]1CCOC12CN(Cc1cc(C)ccc1C)C2 ZINC000247918812 383200146 /nfs/dbraw/zinc/20/01/46/383200146.db2.gz ZYRRDWCNIQEKSG-QGZVFWFLSA-N 1 0 289.419 2.931 40 0 CFABRO c1ccc(O[C@@H]2CCOC3(C[NH+](C4CCCC4)C3)C2)nc1 ZINC000253596924 383463918 /nfs/dbraw/zinc/46/39/18/383463918.db2.gz YAZHNDLLSFTESA-OAHLLOKOSA-N 1 0 288.391 2.636 40 0 CFABRO C[NH2+][C@H]1CC[C@H](N(C)C(=O)OCc2ccccc2)CC1 ZINC000252517321 383417221 /nfs/dbraw/zinc/41/72/21/383417221.db2.gz FSUUAUQGTHSDRB-SHTZXODSSA-N 1 0 276.380 2.786 40 0 CFABRO C[NH2+]Cc1nc(-c2cc(Cl)ccc2OC(C)C)no1 ZINC000256050906 383488959 /nfs/dbraw/zinc/48/89/59/383488959.db2.gz GYHOEVYKHHIIJE-UHFFFAOYSA-N 1 0 281.743 2.897 40 0 CFABRO CC(C)[N@@H+]1CCC[C@@H]1c1cccc(N2CCOC2=O)n1 ZINC000257223733 383493236 /nfs/dbraw/zinc/49/32/36/383493236.db2.gz DYQBUGZGCKSWDT-CYBMUJFWSA-N 1 0 275.352 2.584 40 0 CFABRO Cc1nc(-c2ncc[nH]2)cc([C@H]2CC[N@@H+](CC(C)C)C2)n1 ZINC000257237339 383493415 /nfs/dbraw/zinc/49/34/15/383493415.db2.gz HGAUCNLWXMAVPX-ZDUSSCGKSA-N 1 0 285.395 2.620 40 0 CFABRO Nc1cc(CC[C@H]2CN(c3ccccc3)CCO2)cc[nH+]1 ZINC000257225660 383493617 /nfs/dbraw/zinc/49/36/17/383493617.db2.gz FHFMODFOHQIYNB-INIZCTEOSA-N 1 0 283.375 2.502 40 0 CFABRO Fc1ccc(F)c(N2CC[NH2+][C@H]3CCCC[C@@H]32)c1 ZINC000225713905 256700092 /nfs/dbraw/zinc/70/00/92/256700092.db2.gz KBKLCCLOIRIZQD-STQMWFEESA-N 1 0 252.308 2.686 40 0 CFABRO C[NH2+]Cc1cnc(N(C)Cc2ccccc2)c(C)c1 ZINC000072222369 256705898 /nfs/dbraw/zinc/70/58/98/256705898.db2.gz XAPSNFLXQNIHHH-UHFFFAOYSA-N 1 0 255.365 2.746 40 0 CFABRO c1ccc(C[C@H]2C[NH2+]CC[C@H]2OCc2ccccn2)cc1 ZINC000096220582 256826483 /nfs/dbraw/zinc/82/64/83/256826483.db2.gz YVWHIWUIRNWGCL-FUHWJXTLSA-N 1 0 282.387 2.819 40 0 CFABRO CO[C@H]1CCC[C@@H]2C[N@H+](Cc3csc(C)n3)C[C@@H]21 ZINC000096248982 256834557 /nfs/dbraw/zinc/83/45/57/256834557.db2.gz IPVZHLADOWXSLU-XBFCOCLRSA-N 1 0 266.410 2.698 40 0 CFABRO Cc1cc([C@H]2CCCCCN2Cc2cnn(C)c2)no1 ZINC000019119481 393484064 /nfs/dbraw/zinc/48/40/64/393484064.db2.gz JLQFOYYZQZYTNJ-OAHLLOKOSA-N 1 0 274.368 2.834 40 0 CFABRO Cc1c(C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)cnn1C ZINC000057605197 393622099 /nfs/dbraw/zinc/62/20/99/393622099.db2.gz BGCOMAQPRRTHHO-GOSISDBHSA-N 1 0 299.418 2.910 40 0 CFABRO C[C@@H]1C[NH2+]C[C@H](C)N1c1cccc(C(F)(F)F)c1 ZINC000062710139 393626349 /nfs/dbraw/zinc/62/63/49/393626349.db2.gz BXEPSQKSMVSAIB-AOOOYVTPSA-N 1 0 258.287 2.892 40 0 CFABRO C[NH2+][C@@H](c1ccccc1)[C@H](C)NC(=O)OC(C)(C)C ZINC000072207618 393642179 /nfs/dbraw/zinc/64/21/79/393642179.db2.gz HRJGSVRQCMDHNZ-WCQYABFASA-N 1 0 264.369 2.860 40 0 CFABRO CCC[N@@H+]1CCC[C@H]1c1cnc(N2CCOCC2)c(C)c1 ZINC000072219342 393646223 /nfs/dbraw/zinc/64/62/23/393646223.db2.gz RIWXJRQWIWYZHF-INIZCTEOSA-N 1 0 289.423 2.774 40 0 CFABRO C[NH2+]Cc1cnc(N2CCc3ccccc3C2)c(C)c1 ZINC000072222858 393646248 /nfs/dbraw/zinc/64/62/48/393646248.db2.gz ZDKHLOUXBYCAEG-UHFFFAOYSA-N 1 0 267.376 2.672 40 0 CFABRO Cc1cc(N(C)Cc2ccccc2)[nH+]cc1CCO ZINC000072223410 393646469 /nfs/dbraw/zinc/64/64/69/393646469.db2.gz UVAPIPDRTTWFGS-UHFFFAOYSA-N 1 0 256.349 2.561 40 0 CFABRO CCN(C)c1ccc([C@@H]([NH3+])c2ccccc2)c(C)n1 ZINC000072224288 393647266 /nfs/dbraw/zinc/64/72/66/393647266.db2.gz ZLFAKSKLVQQWNY-INIZCTEOSA-N 1 0 255.365 2.894 40 0 CFABRO [NH3+][C@H](c1ccccc1)c1ccc(N2CCCC2)nc1 ZINC000072225439 393647586 /nfs/dbraw/zinc/64/75/86/393647586.db2.gz ZGFQWFIKYWFMPF-MRXNPFEDSA-N 1 0 253.349 2.730 40 0 CFABRO Cc1ccc(Cl)cc1NC(=O)[C@H]1CCC[N@@H+](C)C1 ZINC000082324803 393740222 /nfs/dbraw/zinc/74/02/22/393740222.db2.gz KIOZPQCLCGQHDX-NSHDSACASA-N 1 0 266.772 2.929 40 0 CFABRO COC(=O)[C@](C)(c1ccccc1)[N@@H+]1CCC[C@H](C)C1 ZINC000085393512 393751857 /nfs/dbraw/zinc/75/18/57/393751857.db2.gz HWRSLXQXYZTRKB-BBRMVZONSA-N 1 0 261.365 2.807 40 0 CFABRO Brc1ccccc1COC1CC2(C[NH2+]C2)C1 ZINC000096509001 393835176 /nfs/dbraw/zinc/83/51/76/393835176.db2.gz RUXKOWNVKXGORC-UHFFFAOYSA-N 1 0 282.181 2.718 40 0 CFABRO C[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095097520 393811523 /nfs/dbraw/zinc/81/15/23/393811523.db2.gz SIVVZWMWICPALD-STQMWFEESA-N 1 0 268.401 2.728 40 0 CFABRO [NH3+][C@@H]1COc2cc(OCc3ccccc3)ccc2C1 ZINC000095756564 393813226 /nfs/dbraw/zinc/81/32/26/393813226.db2.gz GPQRGIQSIPMIRX-AWEZNQCLSA-N 1 0 255.317 2.528 40 0 CFABRO C[C@@H]([C@H]([NH3+])c1ccc(-c2ccccc2)cc1)S(C)(=O)=O ZINC000096524771 393838441 /nfs/dbraw/zinc/83/84/41/393838441.db2.gz HANFIRGTYIBHNI-LRDDRELGSA-N 1 0 289.400 2.787 40 0 CFABRO c1nc2n(c1-c1ccccc1)CCC21CC[NH2+]CC1 ZINC000306127396 285582483 /nfs/dbraw/zinc/58/24/83/285582483.db2.gz FXRCDPYWYCYRAB-UHFFFAOYSA-N 1 0 253.349 2.575 40 0 CFABRO CN1C(=O)CC[C@@]12CCC[N@H+](CCc1ccccc1)CC2 ZINC000585100634 395099937 /nfs/dbraw/zinc/09/99/37/395099937.db2.gz RALYJKIIWOCDQL-GOSISDBHSA-N 1 0 286.419 2.706 40 0 CFABRO [NH3+]CCCn1nc(C(F)(F)F)c(Cl)c1C1CC1 ZINC000002558411 169808773 /nfs/dbraw/zinc/80/87/73/169808773.db2.gz VYDMRXGMHCRHLL-UHFFFAOYSA-N 1 0 267.682 2.782 40 0 CFABRO OC[C@H]1CC[N@@H+]1C(c1ccccc1)c1ccccc1 ZINC000005338840 170087316 /nfs/dbraw/zinc/08/73/16/170087316.db2.gz ZQFMLZHAZJYUOD-MRXNPFEDSA-N 1 0 253.345 2.843 40 0 CFABRO O=C(NCC[NH+]1CCCCC1)Nc1cccc(Cl)c1 ZINC000005344283 170087988 /nfs/dbraw/zinc/08/79/88/170087988.db2.gz HXJMOLBVOAGSTH-UHFFFAOYSA-N 1 0 281.787 2.947 40 0 CFABRO CC[NH+](CC)C[C@H]1CO[C@H](/C=C/c2ccccc2)O1 ZINC000005453639 170100684 /nfs/dbraw/zinc/10/06/84/170100684.db2.gz WPIFPOQOKPIPPX-ISEXYEMMSA-N 1 0 261.365 2.783 40 0 CFABRO CCc1cc2c(cc1C(=O)CC[NH+](C)C)OCCCO2 ZINC000005470520 170102431 /nfs/dbraw/zinc/10/24/31/170102431.db2.gz TWBLOCIGRFNOQH-UHFFFAOYSA-N 1 0 277.364 2.545 40 0 CFABRO CC(C)[NH2+]C[C@@H](O)CCCNc1ccc(Cl)cc1 ZINC000005732695 170134873 /nfs/dbraw/zinc/13/48/73/170134873.db2.gz UYUYBMQWNJQQAB-AWEZNQCLSA-N 1 0 270.804 2.891 40 0 CFABRO Cc1ccccc1OC[C@H](O)C[NH+]1CCCCCC1 ZINC000005756352 170137429 /nfs/dbraw/zinc/13/74/29/170137429.db2.gz TWBJIBXJPURTFT-OAHLLOKOSA-N 1 0 263.381 2.611 40 0 CFABRO COC(=O)[C@H]1C=CC[C@H]2CCCC[C@@]21[NH+]1CCCC1 ZINC000005886765 170150354 /nfs/dbraw/zinc/15/03/54/170150354.db2.gz KGVIFVCQEQXNSN-IIAWOOMASA-N 1 0 263.381 2.760 40 0 CFABRO CC[NH2+][C@H](Cc1ccc(O)cc1)c1ccc(O)cc1 ZINC000006385361 170197301 /nfs/dbraw/zinc/19/73/01/170197301.db2.gz GVXQFJDPZQPWNR-MRXNPFEDSA-N 1 0 257.333 2.991 40 0 CFABRO NC(=S)c1ccc[n+](Cc2c(Cl)cccc2Cl)c1 ZINC000006524956 170209874 /nfs/dbraw/zinc/20/98/74/170209874.db2.gz ZNQNBQRBGDSAOR-UHFFFAOYSA-O 1 0 298.218 2.963 40 0 CFABRO CC(C)c1ccc(NC(=S)NCC[NH+](C)C)cc1 ZINC000007526533 170289292 /nfs/dbraw/zinc/28/92/92/170289292.db2.gz FEKJMCMTTWCLCB-UHFFFAOYSA-N 1 0 265.426 2.658 40 0 CFABRO C[C@H]([NH2+]C[C@@H](O)COC(C)(C)C)c1ccccc1 ZINC000007636336 170294640 /nfs/dbraw/zinc/29/46/40/170294640.db2.gz SDDLOZBXFNVCLQ-GXTWGEPZSA-N 1 0 251.370 2.513 40 0 CFABRO C[C@H]([NH2+]CCc1ccc(O)cc1)C(=O)c1ccc(O)cc1 ZINC000021985147 171345362 /nfs/dbraw/zinc/34/53/62/171345362.db2.gz WNCXDNZVUJLFPD-LBPRGKRZSA-N 1 0 285.343 2.501 40 0 CFABRO COC(=O)C[C@@H](C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000034741737 171864376 /nfs/dbraw/zinc/86/43/76/171864376.db2.gz LIRQRHLOJKKLFB-QMMMGPOBSA-N 1 0 262.136 2.599 40 0 CFABRO CC1CC[NH+](Cc2ccc(C(=O)N(C)C)cc2)CC1 ZINC000038832651 174157509 /nfs/dbraw/zinc/15/75/09/174157509.db2.gz GRTJDRQMMFDMJE-UHFFFAOYSA-N 1 0 260.381 2.620 40 0 CFABRO CC[NH+](CC)[C@@H](CNC(=O)[C@H]1C[C@@H]1C)c1ccccc1 ZINC000039975668 174180436 /nfs/dbraw/zinc/18/04/36/174180436.db2.gz BIQNAFLHOPXADW-BPUTZDHNSA-N 1 0 274.408 2.842 40 0 CFABRO CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1C[C@@H]1C)c1ccccc1 ZINC000039975666 174180533 /nfs/dbraw/zinc/18/05/33/174180533.db2.gz BIQNAFLHOPXADW-IMJJTQAJSA-N 1 0 274.408 2.842 40 0 CFABRO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CC([NH2+]C1CC1)C2 ZINC000040740298 174390497 /nfs/dbraw/zinc/39/04/97/174390497.db2.gz POKNUFLZKRIQBD-YHWZYXNKSA-N 1 0 266.385 2.669 40 0 CFABRO C[C@H]1CN(Cc2cc(Cl)ccc2Cl)CC[NH2+]1 ZINC000072203566 176341475 /nfs/dbraw/zinc/34/14/75/176341475.db2.gz KKQOOHOCAZGGLB-VIFPVBQESA-N 1 0 259.180 2.787 40 0 CFABRO OCc1ccc(-c2cccc([C@H]3CCC[NH2+]C3)n2)cc1 ZINC000072356404 176375512 /nfs/dbraw/zinc/37/55/12/176375512.db2.gz MGWKGDUGBKFDRW-HNNXBMFYSA-N 1 0 268.360 2.708 40 0 CFABRO CC[N@@H+]1CCC[C@H](c2cc(Nc3cnccn3)nc(C)n2)C1 ZINC000072363448 176378055 /nfs/dbraw/zinc/37/80/55/176378055.db2.gz CXSRCWCPMBLBCO-ZDUSSCGKSA-N 1 0 298.394 2.518 40 0 CFABRO CN(C)c1cccc(C2CC[NH+](Cc3ccncc3)CC2)n1 ZINC000072363806 176378566 /nfs/dbraw/zinc/37/85/66/176378566.db2.gz RAHFFOHEMFQLPW-UHFFFAOYSA-N 1 0 296.418 2.922 40 0 CFABRO c1ccc(CCNc2ccnc(C3CC[NH2+]CC3)c2)nc1 ZINC000072365193 176380708 /nfs/dbraw/zinc/38/07/08/176380708.db2.gz JZURUIJYFBBULH-UHFFFAOYSA-N 1 0 282.391 2.598 40 0 CFABRO Cc1ccc(C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)nc1 ZINC000072367462 176381930 /nfs/dbraw/zinc/38/19/30/176381930.db2.gz JLUJSJLOOPMYSQ-IAGOWNOFSA-N 1 0 274.408 2.873 40 0 CFABRO Cc1cc(C)nc(Nc2cccc([C@H]3CCC[NH2+]3)n2)n1 ZINC000072376497 176385117 /nfs/dbraw/zinc/38/51/17/176385117.db2.gz HBDWSXZULDQAFE-GFCCVEGCSA-N 1 0 269.352 2.657 40 0 CFABRO Cc1cc(Oc2cccc(Cl)c2)nc(C2C[NH2+]C2)n1 ZINC000072383140 176388407 /nfs/dbraw/zinc/38/84/07/176388407.db2.gz CJEUROLYTJWJOO-UHFFFAOYSA-N 1 0 275.739 2.918 40 0 CFABRO Cc1cncc([C@H]2CCC[N@H+](Cc3ccncc3)C2)n1 ZINC000072385024 176389315 /nfs/dbraw/zinc/38/93/15/176389315.db2.gz YTQOOMBGGXOPPO-HNNXBMFYSA-N 1 0 268.364 2.560 40 0 CFABRO Cc1noc(C2(C)CC[NH+](CCc3ccccc3)CC2)n1 ZINC000072385011 176389481 /nfs/dbraw/zinc/38/94/81/176389481.db2.gz OCAZLULUYQPQLS-UHFFFAOYSA-N 1 0 285.391 2.974 40 0 CFABRO Cn1c(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)nc2ccccc21 ZINC000072385296 176390108 /nfs/dbraw/zinc/39/01/08/176390108.db2.gz CTJYTWXDPMAYFV-CYBMUJFWSA-N 1 0 295.390 2.676 40 0 CFABRO c1cc(NC2CCCC2)nnc1C[C@@H]1CCC[NH2+]CC1 ZINC000072386461 176391851 /nfs/dbraw/zinc/39/18/51/176391851.db2.gz GFFAUXZDXHQWMM-CYBMUJFWSA-N 1 0 274.412 2.763 40 0 CFABRO Cc1ccc(Cc2cnc([C@@H]3CCC[NH2+]3)cn2)cc1 ZINC000072386825 176392004 /nfs/dbraw/zinc/39/20/04/176392004.db2.gz JCCFOSKXGYXYEN-HNNXBMFYSA-N 1 0 253.349 2.800 40 0 CFABRO c1cc(NCc2ccncc2)nc([C@@H]2CCC[NH2+]C2)c1 ZINC000072386704 176392261 /nfs/dbraw/zinc/39/22/61/176392261.db2.gz VVBDFVICXMOJSX-CQSZACIVSA-N 1 0 268.364 2.556 40 0 CFABRO CCc1c(C)sc2ncnc(OC3CC[NH2+]CC3)c12 ZINC000072397366 176394350 /nfs/dbraw/zinc/39/43/50/176394350.db2.gz KYSASEKTQAWDFM-UHFFFAOYSA-N 1 0 277.393 2.693 40 0 CFABRO CC(C)[C@H]([NH3+])C(=O)NCc1cccc(Cl)c1Cl ZINC000078409535 177338871 /nfs/dbraw/zinc/33/88/71/177338871.db2.gz CKUTZEWIDKJGOP-NSHDSACASA-N 1 0 275.179 2.593 40 0 CFABRO CCSc1ncc(CNCc2ccccc2OC)cn1 ZINC000062717324 262298865 /nfs/dbraw/zinc/29/88/65/262298865.db2.gz KHNHQHUNKOHHFO-UHFFFAOYSA-N 1 0 289.404 2.887 40 0 CFABRO CC(C)Nc1ncc(C[NH2+]Cc2ccc(F)cc2)cn1 ZINC000062717624 262302318 /nfs/dbraw/zinc/30/23/18/262302318.db2.gz YGZMNTLKUXBDKV-UHFFFAOYSA-N 1 0 274.343 2.726 40 0 CFABRO C[C@@H]1CCC[N@H+](CC(=O)N2CCCc3ccccc32)C1 ZINC000000411573 274289837 /nfs/dbraw/zinc/28/98/37/274289837.db2.gz QPGREPGTMYXNGJ-CQSZACIVSA-N 1 0 272.392 2.698 40 0 CFABRO Brc1ccc2c(c1)[C@]1(CC[NH2+]1)CCC2 ZINC000306145830 275372644 /nfs/dbraw/zinc/37/26/44/275372644.db2.gz RUUGQAKZPZKLBQ-GFCCVEGCSA-N 1 0 252.155 2.974 40 0 CFABRO CC1(C)Oc2c(O)cccc2[C@@H]2O[C@@H]3CCC[NH2+][C@@H]3C[C@H]21 ZINC000257345029 275882794 /nfs/dbraw/zinc/88/27/94/275882794.db2.gz ZZQNZZAWRCRELY-GBOPCIDUSA-N 1 0 289.375 2.761 40 0 CFABRO CC[NH+](CC)CCOc1ccc(C)c2c1C(=O)CC2 ZINC000001675094 276100600 /nfs/dbraw/zinc/10/06/00/276100600.db2.gz SFBIQSMSBNGDEW-UHFFFAOYSA-N 1 0 261.365 2.845 40 0 CFABRO C[NH+](C)[C@H](CO)c1ccc(OCc2ccccc2)cc1 ZINC000070453340 276867142 /nfs/dbraw/zinc/86/71/42/276867142.db2.gz XBSIIUGWQNLKMS-QGZVFWFLSA-N 1 0 271.360 2.861 40 0 CFABRO CN1CC=CC[C@@H](C2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000019695735 277023436 /nfs/dbraw/zinc/02/34/36/277023436.db2.gz CLPUOUALGYOFDW-SFHVURJKSA-N 1 0 298.430 2.933 40 0 CFABRO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000038979050 277202563 /nfs/dbraw/zinc/20/25/63/277202563.db2.gz OWXMMRQDSKAHST-GFCCVEGCSA-N 1 0 268.401 2.918 40 0 CFABRO CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+]C2CC2)CC1 ZINC000242581618 277204536 /nfs/dbraw/zinc/20/45/36/277204536.db2.gz NZOKZUFZAZBSAE-HAQNSBGRSA-N 1 0 254.374 2.574 40 0 CFABRO COCCO[C@@H]1CCC2(CC[NH2+]CC2)c2ccccc21 ZINC000306140249 277538863 /nfs/dbraw/zinc/53/88/63/277538863.db2.gz UNXVGIWPFIDYQU-MRXNPFEDSA-N 1 0 275.392 2.806 40 0 CFABRO CC(C)(C)OC(=O)N1CCC[C@]1(C[NH3+])CC1CC1 ZINC000169804701 278396477 /nfs/dbraw/zinc/39/64/77/278396477.db2.gz WDVGMVSGYYJQKE-CQSZACIVSA-N 1 0 254.374 2.515 40 0 CFABRO C[C@H]1C[C@@H](C(F)(F)F)n2nc(C3CC[NH2+]CC3)cc2N1 ZINC000231303612 278474562 /nfs/dbraw/zinc/47/45/62/278474562.db2.gz 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ZINC000096053785 185074259 /nfs/dbraw/zinc/07/42/59/185074259.db2.gz LQLMHLPVDPXAMO-IYBDPMFKSA-N 1 0 299.443 2.707 40 0 CFABRO C[N@@H+]1CCCCC12CCN(C(=O)c1cccs1)CC2 ZINC000096051207 185074307 /nfs/dbraw/zinc/07/43/07/185074307.db2.gz LKJBJBWAWMWACS-UHFFFAOYSA-N 1 0 278.421 2.839 40 0 CFABRO Cc1ccc(C[N@H+]2CCC[C@@]3(CCCC(=O)N3C)C2)o1 ZINC000096049960 185075071 /nfs/dbraw/zinc/07/50/71/185075071.db2.gz WWHDQHNEDJQHQT-INIZCTEOSA-N 1 0 276.380 2.565 40 0 CFABRO Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC2)o1 ZINC000096056545 185077744 /nfs/dbraw/zinc/07/77/44/185077744.db2.gz PGSOPTHSNUEYBO-HZPDHXFCSA-N 1 0 288.391 2.563 40 0 CFABRO CCO[C@H]1CC[N@H+](Cc2ccccn2)[C@H]1Cc1ccncc1 ZINC000096061655 185082674 /nfs/dbraw/zinc/08/26/74/185082674.db2.gz ZNHFWDQCEIRSQO-ROUUACIJSA-N 1 0 297.402 2.699 40 0 CFABRO CCN1C(=O)CCC[C@]12CCC[N@H+](Cc1ccco1)C2 ZINC000096077052 185089212 /nfs/dbraw/zinc/08/92/12/185089212.db2.gz PLPNAXTTYDEWMT-MRXNPFEDSA-N 1 0 276.380 2.647 40 0 CFABRO CCO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccc(C)o1)C2 ZINC000096107213 185100384 /nfs/dbraw/zinc/10/03/84/185100384.db2.gz YVNVCESMJMWLDZ-CVEARBPZSA-N 1 0 279.380 2.748 40 0 CFABRO COCC[N@@H+]1CCCC12CCN(c1ccccc1F)CC2 ZINC000096075218 136518585 /nfs/dbraw/zinc/51/85/85/136518585.db2.gz KKUQGGUDRYUBDI-UHFFFAOYSA-N 1 0 292.398 2.907 40 0 CFABRO O=C1Oc2ccccc2[C@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000016082756 346237685 /nfs/dbraw/zinc/23/76/85/346237685.db2.gz BSSJUCACDKXHPW-CVEARBPZSA-N 1 0 279.339 2.821 40 0 CFABRO CCC(CC)NC(=O)c1cnc([C@@H]2CCCC[NH2+]2)nc1C ZINC000019766769 346242431 /nfs/dbraw/zinc/24/24/31/346242431.db2.gz FKIVLZMMYLMLCZ-AWEZNQCLSA-N 1 0 290.411 2.518 40 0 CFABRO [NH3+]CC[C@H](CO)C1c2ccccc2-c2ccccc21 ZINC000085388800 179047135 /nfs/dbraw/zinc/04/71/35/179047135.db2.gz CDFOUDDJUUWCDV-GFCCVEGCSA-N 1 0 253.345 2.756 40 0 CFABRO O=C1O[C@]2(CN1c1cccc(Cl)c1)CCC[NH2+]CC2 ZINC000218854846 348167819 /nfs/dbraw/zinc/16/78/19/348167819.db2.gz AADUANBFZSDFFR-CQSZACIVSA-N 1 0 280.755 2.809 40 0 CFABRO CCOC(=O)[C@@H]1CC[NH2+][C@@H]1c1ccccc1Cl ZINC000257197758 348306167 /nfs/dbraw/zinc/30/61/67/348306167.db2.gz INRVMGBUEDMVTR-ZYHUDNBSSA-N 1 0 253.729 2.554 40 0 CFABRO CCOC(=O)[C@@H]1CC[NH2+][C@@H]1c1ccc(Cl)cc1 ZINC000257197629 348306175 /nfs/dbraw/zinc/30/61/75/348306175.db2.gz FFLHGTIFZICCAR-VXGBXAGGSA-N 1 0 253.729 2.554 40 0 CFABRO [NH3+]Cc1cc(-c2ccc(Br)o2)nc(C2CC2)n1 ZINC000409439533 348602563 /nfs/dbraw/zinc/60/25/63/348602563.db2.gz RWBUFVBYRIVNGI-UHFFFAOYSA-N 1 0 294.152 2.835 40 0 CFABRO [NH3+]C[C@@H]1[C@@H](c2ccc(Br)cc2)C1(F)F ZINC000409434600 348602576 /nfs/dbraw/zinc/60/25/76/348602576.db2.gz YPAXIIMFZZSGAY-RKDXNWHRSA-N 1 0 262.097 2.757 40 0 CFABRO O[C@H]1[C@H](Oc2cccc(Cl)c2)CCC[C@@H]1[NH2+]C1CC1 ZINC000585289306 348738833 /nfs/dbraw/zinc/73/88/33/348738833.db2.gz HUNLKDDBINBZRT-RRFJBIMHSA-N 1 0 281.783 2.753 40 0 CFABRO CC1(C)CC[C@H]2C[N@H+](Cc3cc[nH]n3)CC[C@@]2(C)O1 ZINC000585286752 348738841 /nfs/dbraw/zinc/73/88/41/348738841.db2.gz UQCARCCXSDNGTJ-SWLSCSKDSA-N 1 0 263.385 2.579 40 0 CFABRO C[NH+](C)C1CC2(C1)CCN(C(=O)c1cccs1)CC2 ZINC000585102887 348734509 /nfs/dbraw/zinc/73/45/09/348734509.db2.gz GTLNURSNWXCCFJ-UHFFFAOYSA-N 1 0 278.421 2.695 40 0 CFABRO O=C(NCc1cccc(C[NH+]2CCCCC2)c1)C1CC1 ZINC000224703206 539994484 /nfs/dbraw/zinc/99/44/84/539994484.db2.gz HVQWMIKCAUMYFK-UHFFFAOYSA-N 1 0 272.392 2.699 40 0 CFABRO CN(C)c1ccc(-c2ncnc3c2C[N@@H+](C2CC2)CC3)cc1 ZINC000306144139 540165975 /nfs/dbraw/zinc/16/59/75/540165975.db2.gz YXCKZUAIOBEGQH-UHFFFAOYSA-N 1 0 294.402 2.730 40 0 CFABRO CCCOC(=O)[C@H](c1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000575598549 540341760 /nfs/dbraw/zinc/34/17/60/540341760.db2.gz PRMWWEANNQSWAR-HUUCEWRRSA-N 1 0 261.365 2.866 40 0 in-vitro CFABRO O=C(OC[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccncc1 ZINC000000035450 371512004 /nfs/dbraw/zinc/51/20/04/371512004.db2.gz KFIZLPOAJRUESW-CABCVRRESA-N 1 0 274.364 2.503 40 0 CFABRO CCOc1ccc(OCC)c([C@@H](O)[C@H](C)[NH2+]C(C)C)c1 ZINC000001565244 371680950 /nfs/dbraw/zinc/68/09/50/371680950.db2.gz OJISRTSIAOBZGQ-LRDDRELGSA-N 1 0 281.396 2.904 40 0 CFABRO CC[n+]1ccccc1CCC(=O)Nc1ccccc1 ZINC000001749822 371704926 /nfs/dbraw/zinc/70/49/26/371704926.db2.gz HDQKMHGCRKZLFV-UHFFFAOYSA-O 1 0 255.341 2.565 40 0 CFABRO CCOC(=O)[C@@]1(c2ccccc2)CCC[N@H+](C)CC1 ZINC000001593302 371684582 /nfs/dbraw/zinc/68/45/82/371684582.db2.gz WGJHHMKQBWSQIY-INIZCTEOSA-N 1 0 261.365 2.603 40 0 in-man CFABRO Cn1c2ccccc2c2c1C(=O)N(CCCC[NH+](C)C)CC2 ZINC000001623025 371688585 /nfs/dbraw/zinc/68/85/85/371688585.db2.gz DXQJZBCFXAFMAA-UHFFFAOYSA-N 1 0 299.418 2.518 40 0 in-vitro CFABRO CC[NH+](CC)CCNc1cc(OC)cc2cccnc21 ZINC000001656159 371692268 /nfs/dbraw/zinc/69/22/68/371692268.db2.gz GSEODROUOWOWFK-UHFFFAOYSA-N 1 0 273.380 2.997 40 0 CFABRO OCC[NH+](CCc1ccccc1)CCc1ccccc1 ZINC000001676421 371696871 /nfs/dbraw/zinc/69/68/71/371696871.db2.gz JMRUHXJCPUIYFY-UHFFFAOYSA-N 1 0 269.388 2.766 40 0 CFABRO C[C@@H](C[NH2+]C1CCCCC1)OC(=O)c1ccc(N)cc1 ZINC000001714529 371702296 /nfs/dbraw/zinc/70/22/96/371702296.db2.gz JSBRVIVCSYLQNY-LBPRGKRZSA-N 1 0 276.380 2.736 40 0 CFABRO CC[C@@H](OC[C@@H](O)C[NH2+]C(C)C)c1ccccc1 ZINC000002694590 371746484 /nfs/dbraw/zinc/74/64/84/371746484.db2.gz XECFMMKOXGMUIT-LSDHHAIUSA-N 1 0 251.370 2.513 40 0 CFABRO O[C@H](C[NH2+]Cc1ccccc1)Cn1ccc2ccccc21 ZINC000002707603 371746644 /nfs/dbraw/zinc/74/66/44/371746644.db2.gz YYCMZNYZCVUWDS-QGZVFWFLSA-N 1 0 280.371 2.792 40 0 CFABRO Cc1cccc(OC[C@H](O)C[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000004276567 371845517 /nfs/dbraw/zinc/84/55/17/371845517.db2.gz KGUWUSOKGHJKGH-HRCADAONSA-N 1 0 277.408 2.713 40 0 CFABRO O[C@H](C[NH2+]Cc1ccco1)COc1ccc2ccccc2c1 ZINC000004393848 371855796 /nfs/dbraw/zinc/85/57/96/371855796.db2.gz ONLCCCNLNUIMPR-MRXNPFEDSA-N 1 0 297.354 2.962 40 0 CFABRO CC[NH+](CC)CCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000004536555 371862182 /nfs/dbraw/zinc/86/21/82/371862182.db2.gz KKXSSCKTKDQRIB-UHFFFAOYSA-N 1 0 296.370 2.778 40 0 CFABRO COC(=O)[C@H]1CCC[N@H+](C)[C@H]1c1c[nH]c2ccccc21 ZINC000005029034 371877438 /nfs/dbraw/zinc/87/74/38/371877438.db2.gz BZTAQJYULZMZGD-SWLSCSKDSA-N 1 0 272.348 2.724 40 0 CFABRO CCOc1cc(N2CCOCC2)c(OCC)cc1[N+]#N ZINC000005139870 371879710 /nfs/dbraw/zinc/87/97/10/371879710.db2.gz HRWJUSVKPYSOSI-UHFFFAOYSA-N 1 0 278.332 2.805 40 0 CFABRO COc1cccc(C[NH+](C)C)c1[C@@H](O)c1ccccc1 ZINC000005599731 371884178 /nfs/dbraw/zinc/88/41/78/371884178.db2.gz RMFTUFXYYPSWKO-KRWDZBQOSA-N 1 0 271.360 2.839 40 0 CFABRO CCOc1cc(C=O)ccc1OCC[NH+]1CCCCC1 ZINC000011860521 371933423 /nfs/dbraw/zinc/93/34/23/371933423.db2.gz BOBXBPOXEHGUBM-UHFFFAOYSA-N 1 0 277.364 2.763 40 0 CFABRO C[C@H]([NH3+])Cc1c[nH]c2ccc(Br)cc12 ZINC000012401813 371961456 /nfs/dbraw/zinc/96/14/56/371961456.db2.gz IGHWRFCBYBVCLC-ZETCQYMHSA-N 1 0 253.143 2.820 40 0 CFABRO CC(=O)c1ccccc1OC[C@H](O)C[N@H+]1CCCC[C@@H]1C ZINC000012438636 371964741 /nfs/dbraw/zinc/96/47/41/371964741.db2.gz SJVQHTYMNXUMKQ-DZGCQCFKSA-N 1 0 291.391 2.503 40 0 CFABRO O=C(NCC[C@@H](c1ccco1)c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000012181874 371947940 /nfs/dbraw/zinc/94/79/40/371947940.db2.gz SGBSNYIIOCOZHR-HZPDHXFCSA-N 1 0 298.386 2.670 40 0 CFABRO O=C(NCC[C@H](c1ccco1)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000012181861 371948445 /nfs/dbraw/zinc/94/84/45/371948445.db2.gz SGBSNYIIOCOZHR-HOTGVXAUSA-N 1 0 298.386 2.670 40 0 CFABRO CC1=N[C@H]2CCCC[C@@H]2NC(=[NH2+])C1c1ccccc1 ZINC000013637120 372037737 /nfs/dbraw/zinc/03/77/37/372037737.db2.gz NUSFVXNMUSUPTH-KBPBESRZSA-N 1 0 255.365 2.689 40 0 CFABRO Cc1ccc(CSc2nc(N)cc(N)[nH+]2)c(C)c1 ZINC000016284750 372102975 /nfs/dbraw/zinc/10/29/75/372102975.db2.gz AUTKJRAKFPXGST-UHFFFAOYSA-N 1 0 260.366 2.550 40 0 CFABRO CC(C)(C)OC(=O)NCCC[C@@H]([NH3+])c1ccccc1 ZINC000019259217 372150902 /nfs/dbraw/zinc/15/09/02/372150902.db2.gz IHZJZEXHKLIMKX-CYBMUJFWSA-N 1 0 264.369 2.991 40 0 CFABRO Cc1ccccc1C[N@H+]1C[C@@H]2c3n[nH]cc3CC[C@@H]2C1 ZINC000019237268 372151277 /nfs/dbraw/zinc/15/12/77/372151277.db2.gz KHYQEBSRVNXIKJ-CVEARBPZSA-N 1 0 267.376 2.880 40 0 CFABRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C/C=C/c1ccccc1 ZINC000019575680 372175440 /nfs/dbraw/zinc/17/54/40/372175440.db2.gz XTHKJRGQETUNNC-SKLZBEMCSA-N 1 0 256.393 2.868 40 0 CFABRO OCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000017309876 372131015 /nfs/dbraw/zinc/13/10/15/372131015.db2.gz VKUCTFUNLURHRY-UHFFFAOYSA-N 1 0 299.399 2.683 40 0 CFABRO [NH3+]C[C@H](c1ccccc1OC(F)(F)F)N1CCCC1 ZINC000022171617 372244471 /nfs/dbraw/zinc/24/44/71/372244471.db2.gz DBLNMSYTRCDYPT-LLVKDONJSA-N 1 0 274.286 2.681 40 0 CFABRO c1ccc(O[C@H]2CCCC[C@H]2[NH+]2CCOCC2)cc1 ZINC000031759368 372416877 /nfs/dbraw/zinc/41/68/77/372416877.db2.gz DVPJJTVPVSGTRA-CVEARBPZSA-N 1 0 261.365 2.709 40 0 CFABRO CCOP(=O)(OCC)[C@@H]([NH3+])c1ccc(OC)cc1 ZINC000031938877 372423621 /nfs/dbraw/zinc/42/36/21/372423621.db2.gz LUCBUBZCLGCAFD-GFCCVEGCSA-N 1 0 273.269 2.919 40 0 CFABRO COc1ccc2ccccc2c1[C@H](C[NH3+])N1CCCC1 ZINC000032048751 372425727 /nfs/dbraw/zinc/42/57/27/372425727.db2.gz WLRYWRAJTKGBBT-HNNXBMFYSA-N 1 0 270.376 2.944 40 0 CFABRO Nc1ccccc1OC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000033606855 372498398 /nfs/dbraw/zinc/49/83/98/372498398.db2.gz ARBZNWSAHIHYFO-ZFWWWQNUSA-N 1 0 260.381 2.912 40 0 CFABRO OC[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000041391164 372835160 /nfs/dbraw/zinc/83/51/60/372835160.db2.gz FBQWXTVKTFSVFH-LBPRGKRZSA-N 1 0 270.170 2.578 40 0 CFABRO c1cc2c(s1)CCN(CC[C@H]1CCCC[NH2+]1)C2 ZINC000043498775 372991743 /nfs/dbraw/zinc/99/17/43/372991743.db2.gz RCBFCAMDOCJTBL-CYBMUJFWSA-N 1 0 250.411 2.638 40 0 CFABRO OCC[N@H+](Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000048065324 373140846 /nfs/dbraw/zinc/14/08/46/373140846.db2.gz WDAPZGGNINVTJN-UHFFFAOYSA-N 1 0 260.164 2.950 40 0 CFABRO FC(F)(F)c1cnc(OC[C@@H]2CC[NH2+]C2)c(Cl)c1 ZINC000051889072 373415281 /nfs/dbraw/zinc/41/52/81/373415281.db2.gz ZBAUKANWESDICD-SSDOTTSWSA-N 1 0 280.677 2.742 40 0 CFABRO CC(C)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000052167149 373439029 /nfs/dbraw/zinc/43/90/29/373439029.db2.gz GQBBZYIBHHAKMP-UHFFFAOYSA-N 1 0 274.408 2.945 40 0 CFABRO Fc1ccc([C@H]2C[N@H+](Cc3ccccc3)CCN2)cc1 ZINC000056894875 373573794 /nfs/dbraw/zinc/57/37/94/373573794.db2.gz SMWIICFQVYKFRT-QGZVFWFLSA-N 1 0 270.351 2.972 40 0 CFABRO c1cc([C@@H]2CCC[N@@H+](Cc3ccc4c(c3)OCCO4)C2)n[nH]1 ZINC000063994801 373817363 /nfs/dbraw/zinc/81/73/63/373817363.db2.gz BIGYDQLSHPTYIN-CQSZACIVSA-N 1 0 299.374 2.561 40 0 CFABRO OC[C@@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCCC1 ZINC000070453125 374179334 /nfs/dbraw/zinc/17/93/34/374179334.db2.gz QFPCKGBFIFVKBY-LBPRGKRZSA-N 1 0 275.270 2.714 40 0 CFABRO C[NH+]1CCC(Cc2nccnc2-c2ccc(CO)cc2)CC1 ZINC000072365261 374246081 /nfs/dbraw/zinc/24/60/81/374246081.db2.gz KWRSDULJFNWMOC-UHFFFAOYSA-N 1 0 297.402 2.520 40 0 CFABRO CNC(=O)c1sc2ccccc2c1[C@@H]1CC[N@H+](C)C1 ZINC000072370207 374247134 /nfs/dbraw/zinc/24/71/34/374247134.db2.gz HMZWNBVLUSTJIT-SNVBAGLBSA-N 1 0 274.389 2.680 40 0 CFABRO Cc1ccc(C(=O)NCCC[NH+]2CCCCC2)cc1C ZINC000072781864 374287115 /nfs/dbraw/zinc/28/71/15/374287115.db2.gz FFZKWKXKZWYWTE-UHFFFAOYSA-N 1 0 274.408 2.909 40 0 CFABRO Cc1ccc([C@@H](C)NC(=O)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000072880734 374297968 /nfs/dbraw/zinc/29/79/68/374297968.db2.gz LVZXCRFWJHFQJP-HIFRSBDPSA-N 1 0 260.381 2.514 40 0 CFABRO O=C(OCc1ccccc1)N1CCC([NH2+]C2CC2)CC1 ZINC000073652962 374365315 /nfs/dbraw/zinc/36/53/15/374365315.db2.gz FLWVIVHZDIYIFM-UHFFFAOYSA-N 1 0 274.364 2.540 40 0 CFABRO CCOc1ccc(NC(=O)CC2CC[NH+](C)CC2)cc1 ZINC000074921018 374446863 /nfs/dbraw/zinc/44/68/63/374446863.db2.gz QNYWGNNYAAMQDS-UHFFFAOYSA-N 1 0 276.380 2.756 40 0 CFABRO Cc1ccc(F)c(-c2noc(C3CC[NH2+]CC3)n2)c1 ZINC000075904265 374511061 /nfs/dbraw/zinc/51/10/61/374511061.db2.gz CJYOSNXDHXTNJT-UHFFFAOYSA-N 1 0 261.300 2.651 40 0 CFABRO Cc1ccccc1CN(C(=O)[C@@H]([NH3+])C(C)C)C(C)C ZINC000079420632 374609947 /nfs/dbraw/zinc/60/99/47/374609947.db2.gz UZUFEMSOZDBRSB-HNNXBMFYSA-N 1 0 262.397 2.715 40 0 CFABRO CCN(Cc1ccc(SC)cc1)C(=O)[C@@H]([NH3+])C(C)C ZINC000079420618 374610219 /nfs/dbraw/zinc/61/02/19/374610219.db2.gz MTMQFMRKGBMDND-AWEZNQCLSA-N 1 0 280.437 2.740 40 0 CFABRO CC(C)[NH2+]C[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000079437217 374611639 /nfs/dbraw/zinc/61/16/39/374611639.db2.gz LWMPHVNVZIXDFR-OAHLLOKOSA-N 1 0 276.380 2.786 40 0 CFABRO C[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000079439697 374612421 /nfs/dbraw/zinc/61/24/21/374612421.db2.gz SLIQKTYUEQXFHF-UHFFFAOYSA-N 1 0 256.752 2.663 40 0 CFABRO CCN(C[C@H]1CCCC[NH2+]1)C(=O)OCc1ccccc1 ZINC000079437798 374612601 /nfs/dbraw/zinc/61/26/01/374612601.db2.gz GSDGMRHOGWHLDK-OAHLLOKOSA-N 1 0 276.380 2.787 40 0 CFABRO C[NH2+][C@@H]1COc2c(Br)cc(Cl)cc2C1 ZINC000090505513 375018486 /nfs/dbraw/zinc/01/84/86/375018486.db2.gz NXDKMWPYEGPPRI-QMMMGPOBSA-N 1 0 276.561 2.625 40 0 CFABRO c1cc(C[N@H+]2CC[C@H]3[C@H]2CCN3Cc2ccccn2)co1 ZINC000096184715 375475241 /nfs/dbraw/zinc/47/52/41/375475241.db2.gz WNCFHEYSXVRNPV-SJORKVTESA-N 1 0 283.375 2.523 40 0 CFABRO COC[C@H]1CC[C@H]2[C@H](CC[N@@H+]2Cc2cccs2)O1 ZINC000096186603 375475711 /nfs/dbraw/zinc/47/57/11/375475711.db2.gz KFEBQGYCCOBMEM-XBFCOCLRSA-N 1 0 267.394 2.516 40 0 CFABRO c1cncc(CN2CC[N@@H+](CC3CC3)Cc3cccnc32)c1 ZINC000096198948 375476680 /nfs/dbraw/zinc/47/66/80/375476680.db2.gz CXXDISKLILQRDL-UHFFFAOYSA-N 1 0 294.402 2.709 40 0 CFABRO O=C1N(c2ccsc2)CC[C@]12C[NH2+]C[C@H]2c1ccccc1 ZINC000096201911 375477892 /nfs/dbraw/zinc/47/78/92/375477892.db2.gz VIQVIZPZLVVRSY-DOTOQJQBSA-N 1 0 298.411 2.858 40 0 CFABRO CCc1ccc(C[N@@H+]2CCc3ncnc(C)c3CC2)o1 ZINC000096254948 375481065 /nfs/dbraw/zinc/48/10/65/375481065.db2.gz OQVFLGAIIJBAGV-UHFFFAOYSA-N 1 0 271.364 2.541 40 0 CFABRO CCc1ncnc2c1CC[N@H+](Cc1ccsc1)CC2 ZINC000096255012 375482178 /nfs/dbraw/zinc/48/21/78/375482178.db2.gz KXGKYDPHNOIBAU-UHFFFAOYSA-N 1 0 273.405 2.701 40 0 CFABRO CC[N@@H+]1CCc2ncnc(-c3ccc(F)cc3)c2CC1 ZINC000096255291 375482379 /nfs/dbraw/zinc/48/23/79/375482379.db2.gz GRNHKYQFMNEJCD-UHFFFAOYSA-N 1 0 271.339 2.703 40 0 CFABRO COc1cccc(CN2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000096268571 375483107 /nfs/dbraw/zinc/48/31/07/375483107.db2.gz XAGFZMNLSNXKAI-QGZVFWFLSA-N 1 0 274.408 2.613 40 0 CFABRO CC(C)[NH+]1CCC2(CC1)C(=O)Nc1c2cccc1F ZINC000096261757 375483644 /nfs/dbraw/zinc/48/36/44/375483644.db2.gz MHZRLBIDRKGBPK-UHFFFAOYSA-N 1 0 262.328 2.520 40 0 CFABRO O[C@H]([C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000100482115 375623051 /nfs/dbraw/zinc/62/30/51/375623051.db2.gz LPHOHFFMCAPPFF-CHWSQXEVSA-N 1 0 273.298 2.822 40 0 CFABRO Cn1nc(C[NH2+]CCc2ccccc2)cc1C(F)(F)F ZINC000256049760 190002357 /nfs/dbraw/zinc/00/23/57/190002357.db2.gz BIPFOBVIVDUFKJ-UHFFFAOYSA-N 1 0 283.297 2.771 40 0 CFABRO CC[C@H](C)n1nccc1C[NH2+]CCCOC(C)C ZINC000256051348 190003419 /nfs/dbraw/zinc/00/34/19/190003419.db2.gz IUIJIBDAJVYVLQ-ZDUSSCGKSA-N 1 0 253.390 2.759 40 0 CFABRO CCCn1cc(C[NH2+]CCc2ccccc2)c(C)n1 ZINC000256053100 190004239 /nfs/dbraw/zinc/00/42/39/190004239.db2.gz QABPTMQGVNQFMO-UHFFFAOYSA-N 1 0 257.381 2.934 40 0 CFABRO CCC(=O)N1N=C2[C@@H]([C@@H]1c1ccco1)[C@@H](C)[N@H+](C)C[C@@H]2C ZINC000101236051 375634047 /nfs/dbraw/zinc/63/40/47/375634047.db2.gz URLGZASRDBGECB-VAECKANCSA-N 1 0 289.379 2.515 40 0 CFABRO CCOCCC[NH2+]Cc1cn(C2CCCC2)nc1C ZINC000256055119 190005802 /nfs/dbraw/zinc/00/58/02/190005802.db2.gz ZHFLAVWLKIPBQU-UHFFFAOYSA-N 1 0 265.401 2.823 40 0 CFABRO Fc1cccc(Cc2cncc([C@@H]3CCC[NH2+]3)n2)c1 ZINC000257197660 190010367 /nfs/dbraw/zinc/01/03/67/190010367.db2.gz FXRIFQCTYQQREN-AWEZNQCLSA-N 1 0 257.312 2.631 40 0 CFABRO Cc1ccc(C[C@H]2CCC[N@@H+](Cc3ccn(C)n3)C2)cn1 ZINC000257207512 190011391 /nfs/dbraw/zinc/01/13/91/190011391.db2.gz BICFGFSVEZESAL-MRXNPFEDSA-N 1 0 284.407 2.578 40 0 CFABRO Cc1cn(C)c([C@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000257208193 190012038 /nfs/dbraw/zinc/01/20/38/190012038.db2.gz BLCKCAAWBRCNKA-HNNXBMFYSA-N 1 0 270.380 2.503 40 0 CFABRO c1cc2ccnc(CC3C[NH+](C4CCCC4)C3)c2[nH]1 ZINC000257215587 190013065 /nfs/dbraw/zinc/01/30/65/190013065.db2.gz CQUACDVNXSCCBN-UHFFFAOYSA-N 1 0 255.365 2.980 40 0 CFABRO COc1ccccc1C[N@@H+]1CC[C@H](c2nc(C)c[nH]2)C1 ZINC000257232414 190017295 /nfs/dbraw/zinc/01/72/95/190017295.db2.gz GKTRQMKACMVLAW-AWEZNQCLSA-N 1 0 271.364 2.716 40 0 CFABRO Cc1ncc(-c2cncc(C3CC[NH+](C(C)C)CC3)n2)n1C ZINC000257233886 190017141 /nfs/dbraw/zinc/01/71/41/190017141.db2.gz GREPJVCKZWNOTF-UHFFFAOYSA-N 1 0 299.422 2.773 40 0 CFABRO Cc1c(C[N@@H+]2CCC[C@@H](Cc3ccc(C)nc3)C2)cnn1C ZINC000257218258 190014114 /nfs/dbraw/zinc/01/41/14/190014114.db2.gz DCKSYAKJDOGYLH-KRWDZBQOSA-N 1 0 298.434 2.887 40 0 CFABRO CC(C)c1nccn1-c1cccc([C@@H]2CCC[NH2+]C2)n1 ZINC000257216430 190014235 /nfs/dbraw/zinc/01/42/35/190014235.db2.gz CUNABLFGKVRYOI-CYBMUJFWSA-N 1 0 270.380 2.858 40 0 CFABRO COc1ccccc1Cc1cc(C)nc(C2CC[NH2+]CC2)n1 ZINC000257252859 190020779 /nfs/dbraw/zinc/02/07/79/190020779.db2.gz JWJDESAUFKVZFF-UHFFFAOYSA-N 1 0 297.402 2.851 40 0 CFABRO Cc1noc(C)c1-c1cccc([C@H]2CCC[NH2+]C2)n1 ZINC000257245597 190019399 /nfs/dbraw/zinc/01/93/99/190019399.db2.gz IQGOBORIPWDXEG-LBPRGKRZSA-N 1 0 257.337 2.820 40 0 CFABRO Cc1ccccc1C[NH+]1CCC2(CC1)OCCC[C@@H]2O ZINC000257249958 190020015 /nfs/dbraw/zinc/02/00/15/190020015.db2.gz JKJQZGRJIZEKRP-INIZCTEOSA-N 1 0 275.392 2.501 40 0 CFABRO Cc1cccc(C[N@@H+]2CCC[C@@H](Cc3cc[nH]n3)C2)n1 ZINC000257266239 190023175 /nfs/dbraw/zinc/02/31/75/190023175.db2.gz MCCKKJDRTAMLLM-AWEZNQCLSA-N 1 0 270.380 2.568 40 0 CFABRO Cc1c[nH]c([C@@H]2CCC[N@H+](Cc3ccc(C)nc3)C2)n1 ZINC000257265854 190023315 /nfs/dbraw/zinc/02/33/15/190023315.db2.gz MAQDPMGVPYKOSQ-OAHLLOKOSA-N 1 0 270.380 2.801 40 0 CFABRO Cc1c[nH]c([C@H]2CCC[N@H+](Cc3ccc(C)nc3)C2)n1 ZINC000257265853 190023520 /nfs/dbraw/zinc/02/35/20/190023520.db2.gz MAQDPMGVPYKOSQ-HNNXBMFYSA-N 1 0 270.380 2.801 40 0 CFABRO C[NH+]1CCC(c2ccnc(Nc3cc(F)ccn3)n2)CC1 ZINC000257263231 190022597 /nfs/dbraw/zinc/02/25/97/190022597.db2.gz LOYXNIYQRJWWSE-UHFFFAOYSA-N 1 0 287.342 2.564 40 0 CFABRO CC(C)n1nccc1C[N@@H+]1CCC[C@](C)(c2cc[nH]n2)C1 ZINC000257312345 190031852 /nfs/dbraw/zinc/03/18/52/190031852.db2.gz UNMPQSIJIIADNF-INIZCTEOSA-N 1 0 287.411 2.741 40 0 CFABRO Cc1cccc(C[NH+]2CCC3(CC2)OCCC[C@@H]3O)c1 ZINC000257302621 190030186 /nfs/dbraw/zinc/03/01/86/190030186.db2.gz SDPHZOTVYXZJRC-INIZCTEOSA-N 1 0 275.392 2.501 40 0 CFABRO Cc1cccc(C[NH+]2CCC3(CC2)OCCC[C@H]3O)c1 ZINC000257302622 190030341 /nfs/dbraw/zinc/03/03/41/190030341.db2.gz SDPHZOTVYXZJRC-MRXNPFEDSA-N 1 0 275.392 2.501 40 0 CFABRO Cc1noc(C)c1-c1cc(C2CC[NH2+]CC2)ccn1 ZINC000257344664 190037481 /nfs/dbraw/zinc/03/74/81/190037481.db2.gz ZYEWUYZFGBCJDI-UHFFFAOYSA-N 1 0 257.337 2.820 40 0 CFABRO CNc1cc([C@@H]2CCC[N@H+](Cc3[nH]cnc3C)C2)ccn1 ZINC000257320760 190033149 /nfs/dbraw/zinc/03/31/49/190033149.db2.gz VYMFUCFZRJIUFB-CQSZACIVSA-N 1 0 285.395 2.534 40 0 CFABRO Cc1cc(-c2nccs2)nc([C@@H]2CCCC[NH2+]2)n1 ZINC000257336989 190036568 /nfs/dbraw/zinc/03/65/68/190036568.db2.gz YQXLSQKDZHNNNH-JTQLQIEISA-N 1 0 260.366 2.723 40 0 CFABRO O=C(C[C@H]1CC2(CC[NH2+]CC2)c2ccccc21)NCC1CC1 ZINC000299849822 382051068 /nfs/dbraw/zinc/05/10/68/382051068.db2.gz BFBCGGUGLGQQCA-HNNXBMFYSA-N 1 0 298.430 2.711 40 0 CFABRO Cc1c(-c2ccccc2Br)[nH+]c(N)n1C ZINC000199559856 382772079 /nfs/dbraw/zinc/77/20/79/382772079.db2.gz RXUIIRDFVNBLRC-UHFFFAOYSA-N 1 0 266.142 2.740 40 0 CFABRO CC(C)(C)OC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCS1 ZINC000228962119 382849816 /nfs/dbraw/zinc/84/98/16/382849816.db2.gz KDAQBBPCSOWHFB-AWEZNQCLSA-N 1 0 293.432 2.946 40 0 CFABRO [NH3+]CCNc1ccnc2c(Cl)c(Cl)ccc12 ZINC000222680265 382803206 /nfs/dbraw/zinc/80/32/06/382803206.db2.gz SLNHGQQIHSSHAE-UHFFFAOYSA-N 1 0 256.136 2.912 40 0 CFABRO COCC[NH2+]Cc1ccn([C@@H](C)c2ccccc2)c1 ZINC000223694945 382806623 /nfs/dbraw/zinc/80/66/23/382806623.db2.gz UENRWNZJKNYJKX-AWEZNQCLSA-N 1 0 258.365 2.833 40 0 CFABRO Cc1cccc(N2CCC[C@@H]([N@H+](C)Cc3cccnc3)C2)n1 ZINC000257201348 383493112 /nfs/dbraw/zinc/49/31/12/383493112.db2.gz AHHMZDNISJAZDW-QGZVFWFLSA-N 1 0 296.418 2.886 40 0 CFABRO C[C@H]1C[NH2+]C[C@H](C)N1c1cccc(C(F)(F)F)c1 ZINC000062710142 256724549 /nfs/dbraw/zinc/72/45/49/256724549.db2.gz BXEPSQKSMVSAIB-UWVGGRQHSA-N 1 0 258.287 2.892 40 0 CFABRO Oc1cccc2ccc(CC[NH+]3CCCCC3)nc12 ZINC000059474695 256796165 /nfs/dbraw/zinc/79/61/65/256796165.db2.gz WSGOPAGFBPWZKU-UHFFFAOYSA-N 1 0 256.349 2.969 40 0 CFABRO [NH2+]=C(NO)[C@@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000409419431 262351759 /nfs/dbraw/zinc/35/17/59/262351759.db2.gz DIXIVBWOMMFYSA-ZJUUUORDSA-N 1 0 263.728 2.760 40 0 CFABRO Oc1ccc([C@@H]2Nc3ccccc3C3=[NH+]CCCN32)cc1 ZINC000012144178 285385556 /nfs/dbraw/zinc/38/55/56/285385556.db2.gz RTKZZTAUNYBSRV-MRXNPFEDSA-N 1 0 279.343 2.969 40 0 CFABRO CCCC[C@@H]([C@H](O)c1ccccc1)[NH+]1CCOCC1 ZINC000031924024 393510138 /nfs/dbraw/zinc/51/01/38/393510138.db2.gz HVIAOPHTMGCYHY-JKSUJKDBSA-N 1 0 263.381 2.611 40 0 CFABRO FC(F)(F)c1cnc(NC2CC[NH2+]CC2)c(Cl)c1 ZINC000037116595 393528373 /nfs/dbraw/zinc/52/83/73/393528373.db2.gz RGDJKECEKYBHHV-UHFFFAOYSA-N 1 0 279.693 2.918 40 0 CFABRO CC[C@@H]([NH2+]C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000072207687 393642536 /nfs/dbraw/zinc/64/25/36/393642536.db2.gz WHJWREPZZGMRAR-VXGBXAGGSA-N 1 0 256.390 2.632 40 0 CFABRO CCC[N@@H+]1CCCC[C@H]1c1cccnc1N1CCOCC1 ZINC000072216241 393645003 /nfs/dbraw/zinc/64/50/03/393645003.db2.gz XMWLTUXNRDTALY-INIZCTEOSA-N 1 0 289.423 2.855 40 0 CFABRO CC(C)C[N@@H+]1CCC[C@H]1c1ccc(N2CCOCC2)nc1 ZINC000072216166 393645234 /nfs/dbraw/zinc/64/52/34/393645234.db2.gz CYWNRTMOAODLSW-INIZCTEOSA-N 1 0 289.423 2.711 40 0 CFABRO CC[N@@H+]1CCCC[C@H]1c1cnc(N2CCOCC2)c(C)c1 ZINC000072219357 393646648 /nfs/dbraw/zinc/64/66/48/393646648.db2.gz IYMNQPLFMUBBBM-INIZCTEOSA-N 1 0 289.423 2.774 40 0 CFABRO C[C@H]1CCCC[C@H]1[NH2+]c1ccc(N)cc1-n1cnnc1 ZINC000216751293 393756054 /nfs/dbraw/zinc/75/60/54/393756054.db2.gz MYLNIXLCMGGLPU-WCQYABFASA-N 1 0 271.368 2.840 40 0 CFABRO CCS(=O)(=O)[C@H](C)[C@@H]([NH3+])c1ccc(Cl)cc1Cl ZINC000096524846 393837698 /nfs/dbraw/zinc/83/76/98/393837698.db2.gz XVOKHOAGONDZMG-RDDDGLTNSA-N 1 0 296.219 2.816 40 0 CFABRO [NH3+]CCn1nccc1-c1ccc(Cl)cc1Cl ZINC000096527669 393837901 /nfs/dbraw/zinc/83/79/01/393837901.db2.gz ZCCMWQNXZBUEQX-UHFFFAOYSA-N 1 0 256.136 2.816 40 0 CFABRO CC[C@H]([C@H]([NH3+])c1cccc(Cl)c1)S(=O)(=O)CC 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COc1ccc([C@H]2[NH2+]CC[C@@]3(O)CCCC[C@@H]23)cc1 ZINC000004837176 170026961 /nfs/dbraw/zinc/02/69/61/170026961.db2.gz PCTOTSPQXJTUKT-XHSDSOJGSA-N 1 0 261.365 2.651 40 0 CFABRO COc1ccc(OC)c(/C=C/c2cc[n+](C)cc2)c1 ZINC000005002256 170053161 /nfs/dbraw/zinc/05/31/61/170053161.db2.gz ZWWMXUZQRJQZCB-SNAWJCMRSA-N 1 0 256.325 2.699 40 0 CFABRO C[NH+](C)CCCNC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000005674762 170126939 /nfs/dbraw/zinc/12/69/39/170126939.db2.gz DTYYZQIPKGDVCV-UHFFFAOYSA-N 1 0 289.301 2.779 40 0 CFABRO C[C@H]1CCC[C@H](C)[NH+]1C[C@H](O)COc1ccccc1F ZINC000006469090 170203167 /nfs/dbraw/zinc/20/31/67/170203167.db2.gz SYZNNDXAQKBPAB-IHRRRGAJSA-N 1 0 281.371 2.828 40 0 CFABRO CC1(C)[C@@H]2CC[C@@](C)(C2)[C@@H]1OC[C@H](O)C[NH+]1CCCC1 ZINC000006617277 170219449 /nfs/dbraw/zinc/21/94/49/170219449.db2.gz XMEQDPKFUATABQ-ANQUJSFKSA-N 1 0 281.440 2.675 40 0 CFABRO C[NH+](C)CCCNC(=O)CSc1ccc(Cl)cc1 ZINC000013648030 170572829 /nfs/dbraw/zinc/57/28/29/170572829.db2.gz HUSMWBZZBTVEMY-UHFFFAOYSA-N 1 0 286.828 2.500 40 0 CFABRO CCC1(CC)CCN(C(=O)[C@H]2CC=CC[NH2+][C@@H]2C)C1 ZINC000019500835 170815411 /nfs/dbraw/zinc/81/54/11/170815411.db2.gz OHFZZYREJMHWOS-KGLIPLIRSA-N 1 0 264.413 2.579 40 0 CFABRO CC[C@H](Oc1ccccc1Cl)C(=O)NCCC[NH+](C)C ZINC000020049435 170978958 /nfs/dbraw/zinc/97/89/58/170978958.db2.gz CVBDXEFUDIRWAD-ZDUSSCGKSA-N 1 0 298.814 2.565 40 0 CFABRO Cc1nc(C[NH3+])cc(-c2ccc(Br)cc2)n1 ZINC000020384102 171175451 /nfs/dbraw/zinc/17/54/51/171175451.db2.gz OSNFCJKXADWBMW-UHFFFAOYSA-N 1 0 278.153 2.673 40 0 CFABRO CC(C)c1ccccc1O[C@H](C)C(=O)NCCC[NH+](C)C ZINC000022518615 171389526 /nfs/dbraw/zinc/38/95/26/171389526.db2.gz OYJKYHUFAUGTDL-CQSZACIVSA-N 1 0 292.423 2.645 40 0 CFABRO Brc1ccc2c(c1)CC[C@]1(CC[NH2+]C1)O2 ZINC000036141997 172465800 /nfs/dbraw/zinc/46/58/00/172465800.db2.gz MNGCMYJRQQQGCD-GFCCVEGCSA-N 1 0 268.154 2.506 40 0 CFABRO CC(C)C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000036878842 172773888 /nfs/dbraw/zinc/77/38/88/172773888.db2.gz XTHUDKQRZVVDNY-UHFFFAOYSA-N 1 0 256.390 2.632 40 0 CFABRO COc1ccc(-c2ccccc2CC[NH3+])cc1OC ZINC000038303119 174138803 /nfs/dbraw/zinc/13/88/03/174138803.db2.gz JUIRTBUJADAPHL-UHFFFAOYSA-N 1 0 257.333 2.872 40 0 CFABRO [NH3+][C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1 ZINC000038539774 174145689 /nfs/dbraw/zinc/14/56/89/174145689.db2.gz UIOGNJDOOMVHAP-GFCCVEGCSA-N 1 0 258.287 2.629 40 0 CFABRO Clc1nccc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000038579678 174147425 /nfs/dbraw/zinc/14/74/25/174147425.db2.gz PCPRHTBVUIMFTD-ZDUSSCGKSA-N 1 0 288.782 2.816 40 0 CFABRO C[N@@H+](Cc1ccccc1)C[C@H](O)c1cccc(O)c1 ZINC000044136059 175145923 /nfs/dbraw/zinc/14/59/23/175145923.db2.gz JBBZPOHBHNEKIM-INIZCTEOSA-N 1 0 257.333 2.558 40 0 in-vitro CFABRO O=C(NCc1ccccc1C[NH+]1CCCCC1)C1CC1 ZINC000045501039 175380877 /nfs/dbraw/zinc/38/08/77/175380877.db2.gz YQOZXBRSGHCVEZ-UHFFFAOYSA-N 1 0 272.392 2.699 40 0 CFABRO Cc1ccc(F)cc1-c1noc(C2CC[NH2+]CC2)n1 ZINC000052138040 175532926 /nfs/dbraw/zinc/53/29/26/175532926.db2.gz ZCRLMHXQTZOUPP-UHFFFAOYSA-N 1 0 261.300 2.651 40 0 CFABRO CC1(C)[NH2+]CCO[C@@H]1c1ccc(Br)cc1 ZINC000071601304 176228274 /nfs/dbraw/zinc/22/82/74/176228274.db2.gz HCPKTHKFUIHTJT-LLVKDONJSA-N 1 0 270.170 2.889 40 0 CFABRO C[C@H]1C[NH2+]CCN1CCCCOc1ccccc1Cl ZINC000071978829 176307561 /nfs/dbraw/zinc/30/75/61/176307561.db2.gz SWRGWYDKOUJRAS-ZDUSSCGKSA-N 1 0 282.815 2.793 40 0 CFABRO CC(C)[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072194532 176337109 /nfs/dbraw/zinc/33/71/09/176337109.db2.gz MQSCBONMFQYJCM-UHFFFAOYSA-N 1 0 256.390 2.632 40 0 CFABRO Clc1ccc(Cl)c(CN[C@H]2CCC[NH2+]C2)c1 ZINC000072203580 176341650 /nfs/dbraw/zinc/34/16/50/176341650.db2.gz WZIMEYMDLOHJKJ-NSHDSACASA-N 1 0 259.180 2.835 40 0 CFABRO CCOc1ccc(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000072324622 176369659 /nfs/dbraw/zinc/36/96/59/176369659.db2.gz KMWWJLGVBJSXFB-GDBMZVCRSA-N 1 0 274.408 2.754 40 0 CFABRO NC(=O)c1sc2ccccc2c1C[C@H]1CCCC[NH2+]1 ZINC000072343637 176371898 /nfs/dbraw/zinc/37/18/98/176371898.db2.gz HTYGXNFWBHVTOJ-SNVBAGLBSA-N 1 0 274.389 2.685 40 0 CFABRO COc1ccccc1Cc1cnc(C2CC[NH2+]CC2)cn1 ZINC000072365273 176380630 /nfs/dbraw/zinc/38/06/30/176380630.db2.gz QWMFECLYPXJQFB-UHFFFAOYSA-N 1 0 283.375 2.543 40 0 CFABRO Cc1cccnc1Nc1nccnc1[C@H]1CCC[N@@H+](C)C1 ZINC000072367710 176382825 /nfs/dbraw/zinc/38/28/25/176382825.db2.gz PAPBXSWAAJUKKE-ZDUSSCGKSA-N 1 0 283.379 2.733 40 0 CFABRO CN(c1ccccc1)c1ccc(C[C@H]2CCC[NH2+]C2)nn1 ZINC000072384576 176388825 /nfs/dbraw/zinc/38/88/25/176388825.db2.gz BYLHPCYREDYYMO-CQSZACIVSA-N 1 0 282.391 2.787 40 0 CFABRO Fc1ccccc1Cc1cnc([C@H]2CCC[NH2+]C2)cn1 ZINC000072386501 176391369 /nfs/dbraw/zinc/39/13/69/176391369.db2.gz JNFVUEUAZYNDBC-ZDUSSCGKSA-N 1 0 271.339 2.674 40 0 CFABRO C[N@@H+]1CCC[C@@H](c2nccnc2NC2CCCC2)C1 ZINC000072386475 176391664 /nfs/dbraw/zinc/39/16/64/176391664.db2.gz AWGPNZYFGJCNCT-GFCCVEGCSA-N 1 0 260.385 2.640 40 0 CFABRO c1cc(NC2CCCC2)nnc1C[C@H]1CCC[NH2+]CC1 ZINC000072386462 176391802 /nfs/dbraw/zinc/39/18/02/176391802.db2.gz GFFAUXZDXHQWMM-ZDUSSCGKSA-N 1 0 274.412 2.763 40 0 CFABRO C[N@@H+]1CCC[C@H](c2nccnc2NC2CCCC2)C1 ZINC000072386474 176391816 /nfs/dbraw/zinc/39/18/16/176391816.db2.gz AWGPNZYFGJCNCT-LBPRGKRZSA-N 1 0 260.385 2.640 40 0 CFABRO CNc1ncccc1C[N@@H+]1CCC[C@H](Cc2cccnc2)C1 ZINC000072386202 176391854 /nfs/dbraw/zinc/39/18/54/176391854.db2.gz LDCSDOJTKMMBQR-MRXNPFEDSA-N 1 0 296.418 2.973 40 0 CFABRO Cc1c2ccccc2[nH]c1C[N@@H+]1CCC[C@H](CO)C1 ZINC000072397808 176395579 /nfs/dbraw/zinc/39/55/79/176395579.db2.gz OKVKVVRWCVMMQM-ZDUSSCGKSA-N 1 0 258.365 2.681 40 0 CFABRO Cc1nc(=S)[nH]c2c1C[N@H+](Cc1ccccc1)CC2 ZINC000072415026 176399444 /nfs/dbraw/zinc/39/94/44/176399444.db2.gz UQCXHJAUBHUQBZ-UHFFFAOYSA-N 1 0 271.389 2.632 40 0 CFABRO Cc1cc(C)nc(NCC[NH2+]C[C@@H](C)c2ccccc2)n1 ZINC000062717878 262302013 /nfs/dbraw/zinc/30/20/13/262302013.db2.gz UUINBESEZLUDFS-CYBMUJFWSA-N 1 0 284.407 2.899 40 0 CFABRO CCCNc1ncc(C[NH2+]CCc2ccc(F)cc2)cn1 ZINC000062717697 262302511 /nfs/dbraw/zinc/30/25/11/262302511.db2.gz IGXNTPZHCDKQEL-UHFFFAOYSA-N 1 0 288.370 2.770 40 0 CFABRO Cc1cc(C)nc(NCCC[NH2+]Cc2ccc(F)cc2)n1 ZINC000062717854 262303769 /nfs/dbraw/zinc/30/37/69/262303769.db2.gz IOJMGJMGHRNUNS-UHFFFAOYSA-N 1 0 288.370 2.824 40 0 CFABRO Cc1ccc(C)c(NC(=S)NC2CC[NH+](C)CC2)c1 ZINC000013775571 533685671 /nfs/dbraw/zinc/68/56/71/533685671.db2.gz AMPBOSAWFAVQCL-UHFFFAOYSA-N 1 0 277.437 2.684 40 0 CFABRO [NH3+][C@@H]1CCC[C@@H]1Nc1ccc(Br)cc1 ZINC000218681415 274957075 /nfs/dbraw/zinc/95/70/75/274957075.db2.gz DWASZSUOYFWDHH-MNOVXSKESA-N 1 0 255.159 2.741 40 0 CFABRO Brc1ccc(C[C@@H]2CCC[NH2+]C2)cc1 ZINC000011630904 275369530 /nfs/dbraw/zinc/36/95/30/275369530.db2.gz GWFAWWSALMDGHA-NSHDSACASA-N 1 0 254.171 2.991 40 0 CFABRO CC1CC(C[NH3+])([C@@H](O)c2ccc(Br)cc2)C1 ZINC000085395707 276187269 /nfs/dbraw/zinc/18/72/69/276187269.db2.gz TYBABOFZSKEXTR-YHECAPGISA-N 1 0 284.197 2.858 40 0 CFABRO CN1C(=O)CCC[C@@H]2C[N@@H+](Cc3ccsc3)CC[C@H]21 ZINC000257203408 277006383 /nfs/dbraw/zinc/00/63/83/277006383.db2.gz APXFCCXWGSFXMR-ZIAGYGMSSA-N 1 0 278.421 2.581 40 0 CFABRO CC(=O)O[C@@H]1[C@@H]2CC[C@H]1CC[C@H]2[NH+]1CCCCC1 ZINC000000121004 277093722 /nfs/dbraw/zinc/09/37/22/277093722.db2.gz WAAWXHBKTWLHRM-YJNKXOJESA-N 1 0 251.370 2.593 40 0 CFABRO CC(C)(C)C[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000067800946 278325151 /nfs/dbraw/zinc/32/51/51/278325151.db2.gz ZUNQDTVACYAOIU-LLVKDONJSA-N 1 0 256.390 2.632 40 0 CFABRO CC(C)(C)OC(=O)N1CCCC[C@H]1C[NH2+]C1CC1 ZINC000072194529 278388243 /nfs/dbraw/zinc/38/82/43/278388243.db2.gz YVPTUGIYLZWTSZ-LBPRGKRZSA-N 1 0 254.374 2.528 40 0 CFABRO C[C@@H]1CN([C@H](C[NH3+])c2c(F)cccc2Cl)C[C@H](C)O1 ZINC000022222626 288251624 /nfs/dbraw/zinc/25/16/24/288251624.db2.gz WWWMEEMLFPNBKO-GBIKHYSHSA-N 1 0 286.778 2.588 40 0 CFABRO CC1=N[C@H]2CCCC[C@H]2NC(=[NH2+])C1c1ccccc1 ZINC000013637125 281704621 /nfs/dbraw/zinc/70/46/21/281704621.db2.gz NUSFVXNMUSUPTH-UONOGXRCSA-N 1 0 255.365 2.689 40 0 CFABRO C[C@@H]1CN([C@@H](C[NH3+])c2c(F)cccc2Cl)C[C@@H](C)O1 ZINC000022222621 297069192 /nfs/dbraw/zinc/06/91/92/297069192.db2.gz WWWMEEMLFPNBKO-BREBYQMCSA-N 1 0 286.778 2.588 40 0 CFABRO COc1ccccc1-c1nccnc1[C@H]1CCC[NH2+]C1 ZINC000072356381 295344808 /nfs/dbraw/zinc/34/48/08/295344808.db2.gz PXRHMQVLLOFYKP-LBPRGKRZSA-N 1 0 269.348 2.619 40 0 CFABRO Cc1cc(-c2nccnc2[C@@H]2CCC[N@H+]2C(C)C)n[nH]1 ZINC000257301907 301034428 /nfs/dbraw/zinc/03/44/28/301034428.db2.gz SALXGASWJMVOOB-ZDUSSCGKSA-N 1 0 271.368 2.720 40 0 CFABRO Cc1ccc([C@]23CCC(=O)N2[C@H]2CCCC[C@H]2[NH2+]3)cc1 ZINC000248111424 334294793 /nfs/dbraw/zinc/29/47/93/334294793.db2.gz SFCHCDFQYXPQPH-VYDXJSESSA-N 1 0 270.376 2.685 40 0 CFABRO [NH3+][C@H](Cc1ccccc1)c1nc(-c2ccccc2F)n[nH]1 ZINC000095534885 185008391 /nfs/dbraw/zinc/00/83/91/185008391.db2.gz WYWJXNBIDMUTPB-CQSZACIVSA-N 1 0 282.322 2.853 40 0 CFABRO C[N@@H+]1CCC[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000082332808 177967032 /nfs/dbraw/zinc/96/70/32/177967032.db2.gz JROFPLSCADHFDB-JTQLQIEISA-N 1 0 286.297 2.986 40 0 CFABRO Cc1nccc([C@H]2C[C@@H]3CC[N@H+](Cc4ccoc4)C[C@H]3O2)n1 ZINC000096046152 185071082 /nfs/dbraw/zinc/07/10/82/185071082.db2.gz RXLOUGDCMXQNQJ-USXIJHARSA-N 1 0 299.374 2.730 40 0 CFABRO c1nn(CC2CCCC2)c2c1C[NH2+]C[C@H]2COCC1CC1 ZINC000096044748 185072117 /nfs/dbraw/zinc/07/21/17/185072117.db2.gz XFSJRDZNCGFOSA-INIZCTEOSA-N 1 0 289.423 2.687 40 0 CFABRO c1csc(C[N@@H+]2C[C@H]3CN(Cc4ccccn4)C[C@H]3C2)c1 ZINC000096053779 185073876 /nfs/dbraw/zinc/07/38/76/185073876.db2.gz QAGHXNLTGUOAEA-GASCZTMLSA-N 1 0 299.443 2.707 40 0 CFABRO Cc1ccc(C[N@@H+]2C[C@@H]3CN(c4ccccc4)C(=O)[C@@H]3C2)o1 ZINC000096053580 185074989 /nfs/dbraw/zinc/07/49/89/185074989.db2.gz YMRVJIYUICGOAF-RHSMWYFYSA-N 1 0 296.370 2.683 40 0 CFABRO COC[C@]12CCCO[C@@H]1CC[N@H+](Cc1ccc(F)cc1)C2 ZINC000096056716 185077336 /nfs/dbraw/zinc/07/73/36/185077336.db2.gz SNXMDLDSVAGHFS-IAGOWNOFSA-N 1 0 293.382 2.843 40 0 CFABRO CO[C@@H]1CC[N@H+](CC2CCOCC2)[C@H]1Cc1ccccc1 ZINC000096061581 185082236 /nfs/dbraw/zinc/08/22/36/185082236.db2.gz LAHBVLGEUJDKQZ-ZWKOTPCHSA-N 1 0 289.419 2.745 40 0 CFABRO CC(C)[N@@H+]1CC[C@@]2(CCN(Cc3cccc(F)c3)C2=O)C1 ZINC000096063253 185084837 /nfs/dbraw/zinc/08/48/37/185084837.db2.gz JOOXEALKBMJVRI-KRWDZBQOSA-N 1 0 290.382 2.659 40 0 CFABRO Cc1ccc(C[N@@H+]2CCc3ncnc(NC4CC4)c3CC2)o1 ZINC000096084024 185092739 /nfs/dbraw/zinc/09/27/39/185092739.db2.gz XHAAOPHMLLDQPL-UHFFFAOYSA-N 1 0 298.390 2.553 40 0 CFABRO CC(C)[NH+]1CCC2(C[C@@H](OCc3ccncc3)CO2)CC1 ZINC000096106855 185099230 /nfs/dbraw/zinc/09/92/30/185099230.db2.gz LBSKWKVRBWIIHH-MRXNPFEDSA-N 1 0 290.407 2.630 40 0 CFABRO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCC[C@H]2[NH3+] ZINC000096958591 185142620 /nfs/dbraw/zinc/14/26/20/185142620.db2.gz DCIGOSDVURTNCR-RISCZKNCSA-N 1 0 254.374 2.515 40 0 CFABRO CCCC[N@H+](Cc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000071006062 346918765 /nfs/dbraw/zinc/91/87/65/346918765.db2.gz UFBMVINGYKJHLF-MRXNPFEDSA-N 1 0 295.448 2.784 40 0 CFABRO C[NH2+]CCCNc1ccnc2c(OC)ccc(Cl)c12 ZINC000222682971 529971766 /nfs/dbraw/zinc/97/17/66/529971766.db2.gz AIQVBRPVZULKEW-UHFFFAOYSA-N 1 0 279.771 2.918 40 0 CFABRO c1csc(C[NH+]2CCC(n3cnc4nccnc43)CC2)c1 ZINC000306142659 201844538 /nfs/dbraw/zinc/84/45/38/201844538.db2.gz XFTGBZKOGUXGNP-UHFFFAOYSA-N 1 0 299.403 2.725 40 0 CFABRO O=C1Oc2ccccc2[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000033338972 346312127 /nfs/dbraw/zinc/31/21/27/346312127.db2.gz BSSJUCACDKXHPW-HOTGVXAUSA-N 1 0 279.339 2.821 40 0 CFABRO CC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038832231 346339476 /nfs/dbraw/zinc/33/94/76/346339476.db2.gz KZLDTOGBBKPWKT-ZBFHGGJFSA-N 1 0 274.408 2.813 40 0 CFABRO Fc1ccc(-c2cnc3nccc([C@@H]4CC[NH2+]C4)n23)cc1 ZINC000257283854 282970698 /nfs/dbraw/zinc/97/06/98/282970698.db2.gz PADNZXPQEZQRJZ-GFCCVEGCSA-N 1 0 282.322 2.612 40 0 CFABRO Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3c2ncc(C)cn2)o1 ZINC000096038569 347701407 /nfs/dbraw/zinc/70/14/07/347701407.db2.gz IZMZZAPECJEEMO-JKSUJKDBSA-N 1 0 298.390 2.540 40 0 CFABRO Cc1nc(C[NH3+])cc(-c2ccccc2Br)n1 ZINC000096979872 347706102 /nfs/dbraw/zinc/70/61/02/347706102.db2.gz FMVAYLFLUKPAAA-UHFFFAOYSA-N 1 0 278.153 2.673 40 0 CFABRO CCOC(=O)[C@@H]1CC[NH2+][C@@H]1c1cccc(Cl)c1 ZINC000257197715 348305930 /nfs/dbraw/zinc/30/59/30/348305930.db2.gz GWHBQUVPHPDSTR-VXGBXAGGSA-N 1 0 253.729 2.554 40 0 CFABRO Cc1nc(C[NH3+])cc(-c2ccc(Br)s2)n1 ZINC000259099814 348308618 /nfs/dbraw/zinc/30/86/18/348308618.db2.gz PYYBOAFFTFWMSL-UHFFFAOYSA-N 1 0 284.182 2.735 40 0 CFABRO Brc1ccc([C@@H]2C[NH2+]CC23CC3)cc1 ZINC000409433812 348601684 /nfs/dbraw/zinc/60/16/84/348601684.db2.gz UBJCNAYCBSHRKS-NSHDSACASA-N 1 0 252.155 2.916 40 0 CFABRO CCCCn1cc(C[N@@H+]2CC[C@@H](c3cc[nH]n3)C2)c(C)n1 ZINC000585181902 348738081 /nfs/dbraw/zinc/73/80/81/348738081.db2.gz GIEKDUGHGZOZBT-CQSZACIVSA-N 1 0 287.411 2.704 40 0 CFABRO Cc1csc(-c2cc(C3CC[NH2+]CC3)ccn2)n1 ZINC000585179636 348738174 /nfs/dbraw/zinc/73/81/74/348738174.db2.gz WIGRCMQIELFGAF-UHFFFAOYSA-N 1 0 259.378 2.981 40 0 CFABRO CCCNC(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224705721 539994490 /nfs/dbraw/zinc/99/44/90/539994490.db2.gz PMZZWALYDXFOBX-UHFFFAOYSA-N 1 0 289.423 2.882 40 0 CFABRO O=C(CCc1ccc(F)cc1)NCCC[NH+]1CCCCC1 ZINC000224749956 539995104 /nfs/dbraw/zinc/99/51/04/539995104.db2.gz UNCDQMOGWKVXGN-UHFFFAOYSA-N 1 0 292.398 2.751 40 0 CFABRO CC(C)Nc1nc(NCc2ccccc2)cc(C2CC2)[nH+]1 ZINC000328967530 202133527 /nfs/dbraw/zinc/13/35/27/202133527.db2.gz CUKTUVDOABMMFK-UHFFFAOYSA-N 1 0 282.391 2.630 40 0 CFABRO C[C@@H](NC(=O)[C@H]1CCCC[NH2+]1)C12CC3CC(CC(C3)C1)C2 ZINC000019806842 296100860 /nfs/dbraw/zinc/10/08/60/296100860.db2.gz YBIMVCRJKAICAR-CDJLDAARSA-N 1 0 290.451 2.850 40 0 CFABRO CC[NH+](CC)CCSc1cc(C)c2ccc(N)nc2n1 ZINC000001587104 371684848 /nfs/dbraw/zinc/68/48/48/371684848.db2.gz PWYSPSAXRQSTHK-UHFFFAOYSA-N 1 0 290.436 2.954 40 0 CFABRO C[C@@H](C[NH+](C)C)OC(=O)Nc1ccc(Cl)cc1 ZINC000001671722 371695577 /nfs/dbraw/zinc/69/55/77/371695577.db2.gz BQHBCYWOGCHHRD-VIFPVBQESA-N 1 0 256.733 2.839 40 0 CFABRO C[C@@H](C[NH+](C)C)OC(=O)Nc1ccccc1Cl ZINC000001671715 371695610 /nfs/dbraw/zinc/69/56/10/371695610.db2.gz HMQWDSFEKJXYAJ-VIFPVBQESA-N 1 0 256.733 2.839 40 0 CFABRO CC[NH2+][C@H](COC(=O)c1ccc(N)cc1)C1CCCCC1 ZINC000001710503 371700425 /nfs/dbraw/zinc/70/04/25/371700425.db2.gz BJQCHLCEIUSSDR-MRXNPFEDSA-N 1 0 290.407 2.984 40 0 CFABRO c1cc(N2CCOCC2)cc(NC2CCCCC2)[nH+]1 ZINC000001703090 371700598 /nfs/dbraw/zinc/70/05/98/371700598.db2.gz GSAXZSFHIKRTPQ-UHFFFAOYSA-N 1 0 261.369 2.663 40 0 CFABRO Cc1cc(C)c2nc(N3CC[NH+](C)CC3)cc(C)c2c1 ZINC000006587278 371890465 /nfs/dbraw/zinc/89/04/65/371890465.db2.gz RTEVDYHCNLXHOK-UHFFFAOYSA-N 1 0 269.392 2.912 40 0 CFABRO COc1ccc([C@@H]2[NH2+]CCc3ccccc32)cc1OC ZINC000011597212 371921342 /nfs/dbraw/zinc/92/13/42/371921342.db2.gz BUKCIQYLSXLYGW-KRWDZBQOSA-N 1 0 269.344 2.939 40 0 CFABRO Cc1cc2occ(CC(=O)N(C)CC[NH+](C)C)c2c(C)c1 ZINC000012360872 371954758 /nfs/dbraw/zinc/95/47/58/371954758.db2.gz MEQKPQBJBNTISG-UHFFFAOYSA-N 1 0 288.391 2.612 40 0 CFABRO Cc1cc2c(cc1C[N@@H+](C)Cc1cccn1C)OCO2 ZINC000013568433 372033555 /nfs/dbraw/zinc/03/35/55/372033555.db2.gz JJAGMKGFVVCTFS-UHFFFAOYSA-N 1 0 272.348 2.694 40 0 CFABRO COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)cc1)[NH2+]2 ZINC000013644798 372038465 /nfs/dbraw/zinc/03/84/65/372038465.db2.gz PRQICMQRAXJOCP-DGAVXFQQSA-N 1 0 279.767 2.737 40 0 CFABRO Cc1ccsc1C[N@H+](Cc1ccccn1)C[C@H](C)O ZINC000013991502 372056750 /nfs/dbraw/zinc/05/67/50/372056750.db2.gz FSDYLPOACAVJDZ-ZDUSSCGKSA-N 1 0 276.405 2.835 40 0 CFABRO O=c1[nH]c2ccccc2[n+]2c1S[C@H](c1ccccc1)[C@@H]2O ZINC000016478209 372107143 /nfs/dbraw/zinc/10/71/43/372107143.db2.gz FZVZNKSBFIFNKU-HIFRSBDPSA-O 1 0 297.359 2.566 40 0 CFABRO Cc1cc(NCCCCCC[NH3+])nc(C(C)C)n1 ZINC000015418412 372083504 /nfs/dbraw/zinc/08/35/04/372083504.db2.gz NZHQAAMRTPCTEU-UHFFFAOYSA-N 1 0 250.390 2.839 40 0 CFABRO COc1ccccc1NC(=O)NCCC[NH+]1CCCCC1 ZINC000017742311 372136386 /nfs/dbraw/zinc/13/63/86/372136386.db2.gz OEWWBCATOHHOSC-UHFFFAOYSA-N 1 0 291.395 2.693 40 0 CFABRO Clc1ccc(CN2CCC[NH2+]CC2)c(Cl)c1 ZINC000019264667 372153233 /nfs/dbraw/zinc/15/32/33/372153233.db2.gz IHNFDVDZXLBUJB-UHFFFAOYSA-N 1 0 259.180 2.789 40 0 CFABRO c1cnc2n[nH]c(C3CC[NH+](CC4CC4)CC3)c2c1 ZINC000019346522 372157080 /nfs/dbraw/zinc/15/70/80/372157080.db2.gz HPFGOGGSZFJMJJ-UHFFFAOYSA-N 1 0 256.353 2.547 40 0 CFABRO Cc1cc(Br)ccc1NC(=O)C1CC[NH2+]CC1 ZINC000019411436 372161862 /nfs/dbraw/zinc/16/18/62/372161862.db2.gz OSJPSMSENZHEGF-UHFFFAOYSA-N 1 0 297.196 2.696 40 0 CFABRO CCc1ccc(C[N@@H+]2C[C@H]3CCc4nnc(C)n4[C@H]3C2)cc1 ZINC000019522901 372174387 /nfs/dbraw/zinc/17/43/87/372174387.db2.gz RZDHUAFEOTZJBI-SJORKVTESA-N 1 0 296.418 2.768 40 0 CFABRO CCOc1ccccc1CNCC[NH+](CC)CC ZINC000019919152 372210506 /nfs/dbraw/zinc/21/05/06/372210506.db2.gz NUXTWCIDVIOAAE-UHFFFAOYSA-N 1 0 250.386 2.517 40 0 CFABRO CC[NH+](CC)CCNc1cc(OC)c(N)c2cccnc12 ZINC000031772652 372417688 /nfs/dbraw/zinc/41/76/88/372417688.db2.gz WPFRIJPBETWDNE-UHFFFAOYSA-N 1 0 288.395 2.579 40 0 CFABRO COc1ccc(NC(=S)C[NH+]2CCCCC2)cc1 ZINC000033373252 372493046 /nfs/dbraw/zinc/49/30/46/372493046.db2.gz RZDUGRRTBRDBEA-UHFFFAOYSA-N 1 0 264.394 2.920 40 0 CFABRO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@H](O)COc1ccc(F)cc1 ZINC000035031487 372531363 /nfs/dbraw/zinc/53/13/63/372531363.db2.gz CEASHOGVRDNAAP-NFAWXSAZSA-N 1 0 281.371 2.828 40 0 CFABRO [NH3+]Cc1cccc(OCC(=O)Nc2ccc(Cl)cc2)c1 ZINC000036720750 372587399 /nfs/dbraw/zinc/58/73/99/372587399.db2.gz RQZVLXHAGPWKDQ-UHFFFAOYSA-N 1 0 290.750 2.816 40 0 CFABRO CCN(Cc1ccccc1Cl)C(=O)[C@@H]([NH3+])C(C)C ZINC000037808775 372718928 /nfs/dbraw/zinc/71/89/28/372718928.db2.gz XNGUXBGUIVATFU-ZDUSSCGKSA-N 1 0 268.788 2.672 40 0 CFABRO CC(C)[C@H]([NH3+])C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000037799154 372712894 /nfs/dbraw/zinc/71/28/94/372712894.db2.gz FHTWBBBLFBHOEZ-LBPRGKRZSA-N 1 0 289.206 2.935 40 0 CFABRO COc1ccc(C[NH2+]CCC(=O)OC(C)(C)C)cc1 ZINC000047218990 373084874 /nfs/dbraw/zinc/08/48/74/373084874.db2.gz BHQGNKMGMBTYNE-UHFFFAOYSA-N 1 0 265.353 2.517 40 0 CFABRO CC(C)[N@H+](CCO)Cc1cccc(C(F)(F)F)c1 ZINC000049825081 373319496 /nfs/dbraw/zinc/31/94/96/373319496.db2.gz RUJCFCGEMSUIDO-UHFFFAOYSA-N 1 0 261.287 2.908 40 0 CFABRO CC1CC[NH+](CCCNC(=O)NC2CCCCC2)CC1 ZINC000058013580 373622203 /nfs/dbraw/zinc/62/22/03/373622203.db2.gz CWVXTPICIHRILN-UHFFFAOYSA-N 1 0 281.444 2.740 40 0 CFABRO C[NH+](C)[C@@H](CO)c1ccc(OCc2ccccc2)cc1 ZINC000070453339 374180399 /nfs/dbraw/zinc/18/03/99/374180399.db2.gz XBSIIUGWQNLKMS-KRWDZBQOSA-N 1 0 271.360 2.861 40 0 CFABRO O=C([C@@H]1CC[N@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000071790090 374226147 /nfs/dbraw/zinc/22/61/47/374226147.db2.gz OAYADUDYLHJCBQ-LLVKDONJSA-N 1 0 257.255 2.640 40 0 CFABRO CNC(=O)c1sc2ccccc2c1[C@H]1CC[N@H+](C)C1 ZINC000072370208 374246300 /nfs/dbraw/zinc/24/63/00/374246300.db2.gz HMZWNBVLUSTJIT-JTQLQIEISA-N 1 0 274.389 2.680 40 0 CFABRO C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2Cl)C1 ZINC000073152938 374326315 /nfs/dbraw/zinc/32/63/15/374326315.db2.gz VBBVYEKKKDLULD-SNVBAGLBSA-N 1 0 252.745 2.620 40 0 CFABRO C[NH+]1CCC(C(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000074713378 374434996 /nfs/dbraw/zinc/43/49/96/374434996.db2.gz OPMUYUMWVQLRDP-UHFFFAOYSA-N 1 0 286.297 2.986 40 0 CFABRO CC(C)N(Cc1ccccc1)[C@H]1CCCC[C@@H]1[NH2+]CCO ZINC000079414338 374609100 /nfs/dbraw/zinc/60/91/00/374609100.db2.gz STFFLKBXHRZMAC-ROUUACIJSA-N 1 0 290.451 2.790 40 0 CFABRO CC(C)[C@H]([NH3+])C(=O)N(Cc1ccccc1F)C(C)C ZINC000079420629 374609665 /nfs/dbraw/zinc/60/96/65/374609665.db2.gz TZWHMKXVULIZCI-AWEZNQCLSA-N 1 0 266.360 2.546 40 0 CFABRO CC(C)[C@H]([NH3+])C(=O)N(Cc1cccc(Cl)c1)C1CC1 ZINC000079420653 374609813 /nfs/dbraw/zinc/60/98/13/374609813.db2.gz ZETUFHHRRCXISF-AWEZNQCLSA-N 1 0 280.799 2.814 40 0 CFABRO CCN(Cc1c(F)cccc1Cl)C(=O)[C@@H]([NH3+])C(C)C ZINC000079420376 374610237 /nfs/dbraw/zinc/61/02/37/374610237.db2.gz KWGPAZIKBRIUCV-ZDUSSCGKSA-N 1 0 286.778 2.811 40 0 CFABRO O=C(N[C@H]1CCCC[C@@H]1[NH2+]C1CC1)OCc1ccccc1 ZINC000079437306 374612614 /nfs/dbraw/zinc/61/26/14/374612614.db2.gz ZUACXMKULIHSCY-HOTGVXAUSA-N 1 0 288.391 2.976 40 0 CFABRO C[C@@H]1CN(c2ccc(F)cc2C(F)(F)F)CC[NH2+]1 ZINC000083451836 374746106 /nfs/dbraw/zinc/74/61/06/374746106.db2.gz FWOLXOXRFXNWLP-MRVPVSSYSA-N 1 0 262.250 2.643 40 0 CFABRO CCc1cccc(C)c1NC(=O)[C@H]1CCC[N@H+](C)C1 ZINC000082323482 374735658 /nfs/dbraw/zinc/73/56/58/374735658.db2.gz MBUQYRGQOJQMLB-AWEZNQCLSA-N 1 0 260.381 2.838 40 0 CFABRO COC(=O)CCC1=CCC[N@H+](Cc2ccccc2)C1 ZINC000090514163 375018131 /nfs/dbraw/zinc/01/81/31/375018131.db2.gz FHRNDAAIZFFPOL-UHFFFAOYSA-N 1 0 259.349 2.772 40 0 CFABRO c1cc(C[N@@H+]2CC[C@]3(C2)CCCN(c2ncccn2)C3)co1 ZINC000096047146 375468990 /nfs/dbraw/zinc/46/89/90/375468990.db2.gz HDMAZXKOHUFCLQ-KRWDZBQOSA-N 1 0 298.390 2.562 40 0 CFABRO COc1c(C)cc(-c2noc(C3CC[NH2+]CC3)n2)cc1C ZINC000095095368 375413575 /nfs/dbraw/zinc/41/35/75/375413575.db2.gz YEJVKPPOWXHWML-UHFFFAOYSA-N 1 0 287.363 2.829 40 0 CFABRO COc1c(C)cc(-c2noc([C@H]3CCC[NH2+]3)n2)cc1C ZINC000095095414 375414260 /nfs/dbraw/zinc/41/42/60/375414260.db2.gz DYNIWNFNWPVEJO-GFCCVEGCSA-N 1 0 273.336 2.787 40 0 CFABRO Cc1nc(C[N@@H+]2CC[C@@H](O)[C@@H]2Cc2ccccc2)cs1 ZINC000096200004 375477781 /nfs/dbraw/zinc/47/77/81/375477781.db2.gz BOSPHYZPMSAPNB-JKSUJKDBSA-N 1 0 288.416 2.629 40 0 CFABRO CC[NH+]1CCC2(C[C@H](Oc3ccccc3)CO2)CC1 ZINC000096221846 375479810 /nfs/dbraw/zinc/47/98/10/375479810.db2.gz POXOUFADDNJVMR-HNNXBMFYSA-N 1 0 261.365 2.709 40 0 CFABRO c1cc(C[N@@H+]2CCc3ncnc(NC4CCC4)c3CC2)co1 ZINC000096255752 375482202 /nfs/dbraw/zinc/48/22/02/375482202.db2.gz OHPIZBMOXHFMQA-UHFFFAOYSA-N 1 0 298.390 2.635 40 0 CFABRO [NH3+][C@H](CNC(=O)OCc1ccccc1)C1CCCCC1 ZINC000096295492 375484199 /nfs/dbraw/zinc/48/41/99/375484199.db2.gz LGKNTKNXIZXBMR-OAHLLOKOSA-N 1 0 276.380 2.820 40 0 CFABRO C[NH2+][C@H]1CC[C@H](N(C(=O)OC(C)(C)C)C2CC2)CC1 ZINC000100178413 375614983 /nfs/dbraw/zinc/61/49/83/375614983.db2.gz YXTUHBFFHXRUKJ-TXEJJXNPSA-N 1 0 268.401 2.917 40 0 CFABRO Fc1ccc(C[NH2+]Cc2ccnn2CC(F)(F)F)cc1 ZINC000256053671 190005151 /nfs/dbraw/zinc/00/51/51/190005151.db2.gz SIOVLAWRBUHELX-UHFFFAOYSA-N 1 0 287.260 2.874 40 0 CFABRO OCC[NH2+][C@@H]1CCCC[C@H]1N(Cc1ccccc1)C1CC1 ZINC000100314727 375619807 /nfs/dbraw/zinc/61/98/07/375619807.db2.gz NCPOXUMGAARBKR-QZTJIDSGSA-N 1 0 288.435 2.544 40 0 CFABRO Cc1[nH+]c(-c2ccccc2Br)c(N)n1C ZINC000100761177 375628451 /nfs/dbraw/zinc/62/84/51/375628451.db2.gz XTSPXASRKWCAOI-UHFFFAOYSA-N 1 0 266.142 2.740 40 0 CFABRO COc1ccc(C[NH2+]Cc2ccnn2CC(C)C)cc1 ZINC000256049676 190002800 /nfs/dbraw/zinc/00/28/00/190002800.db2.gz AXJVKQYLEXEOSC-UHFFFAOYSA-N 1 0 273.380 2.838 40 0 CFABRO COc1cccc(CC[NH2+]Cc2ccnn2C(F)F)c1 ZINC000256050381 190003177 /nfs/dbraw/zinc/00/31/77/190003177.db2.gz DUUPLVDCOSUFIK-UHFFFAOYSA-N 1 0 281.306 2.619 40 0 CFABRO COc1ccc(C[NH2+]Cc2cnn(C)c2C(F)(F)F)cc1 ZINC000256050790 190003344 /nfs/dbraw/zinc/00/33/44/190003344.db2.gz GNRJKHFMOJRHSE-UHFFFAOYSA-N 1 0 299.296 2.737 40 0 CFABRO FC(F)(F)Cn1nccc1C[NH2+]Cc1ccccc1 ZINC000256051236 190003710 /nfs/dbraw/zinc/00/37/10/190003710.db2.gz IIKRTXBXMGMOQX-UHFFFAOYSA-N 1 0 269.270 2.735 40 0 CFABRO Cn1nc(C(F)(F)F)cc1C[NH2+]Cc1cccs1 ZINC000256053028 190004047 /nfs/dbraw/zinc/00/40/47/190004047.db2.gz PRXPAHPDIYEZIT-UHFFFAOYSA-N 1 0 275.299 2.790 40 0 CFABRO CCCn1cc(C[NH2+]Cc2cnn(C(C)C)c2C)cn1 ZINC000256053020 190004360 /nfs/dbraw/zinc/00/43/60/190004360.db2.gz PRJYBKATXAZOTH-UHFFFAOYSA-N 1 0 275.400 2.669 40 0 CFABRO [NH3+]C1(Cc2ccccc2C(F)(F)F)CCOCC1 ZINC000098214173 375611924 /nfs/dbraw/zinc/61/19/24/375611924.db2.gz ZPYOMJLCAFBOSO-UHFFFAOYSA-N 1 0 259.271 2.756 40 0 CFABRO COc1ccc(C[NH2+]Cc2cc(C(C)C)nn2C)cc1 ZINC000256053878 190004695 /nfs/dbraw/zinc/00/46/95/190004695.db2.gz TZTZQNPRXDUJTH-UHFFFAOYSA-N 1 0 273.380 2.842 40 0 CFABRO Cc1cn(C)c([C@@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000257208194 190012081 /nfs/dbraw/zinc/01/20/81/190012081.db2.gz BLCKCAAWBRCNKA-OAHLLOKOSA-N 1 0 270.380 2.503 40 0 CFABRO CC(C)[N@@H+]1CCC[C@@H](Cc2nccnc2-c2cc[nH]n2)C1 ZINC000257216206 190013594 /nfs/dbraw/zinc/01/35/94/190013594.db2.gz CTODRRSBXKFLPO-ZDUSSCGKSA-N 1 0 285.395 2.530 40 0 CFABRO Cc1cc(-c2nccn2C)nc(C2CC[NH+](C(C)C)CC2)n1 ZINC000257224683 190015410 /nfs/dbraw/zinc/01/54/10/190015410.db2.gz FCWCVFRKDCWYAH-UHFFFAOYSA-N 1 0 299.422 2.773 40 0 CFABRO CNc1cc([C@H]2CCC[N@@H+]2Cc2c(C)nn(C)c2C)ccn1 ZINC000257231638 190016456 /nfs/dbraw/zinc/01/64/56/190016456.db2.gz GHPCUHOZGKFKPP-MRXNPFEDSA-N 1 0 299.422 2.811 40 0 CFABRO CCc1nccn1-c1cncc([C@@H]2CCC[N@@H+]2C(C)C)n1 ZINC000257232795 190016640 /nfs/dbraw/zinc/01/66/40/190016640.db2.gz GMLOJCLCXRNPIP-AWEZNQCLSA-N 1 0 285.395 2.770 40 0 CFABRO CC(C)n1nccc1-c1cncc([C@@H]2CCC[N@@H+]2C)n1 ZINC000257221849 190014992 /nfs/dbraw/zinc/01/49/92/190014992.db2.gz DQUHMIJXRLMZSN-AWEZNQCLSA-N 1 0 271.368 2.688 40 0 CFABRO Cc1n[nH]cc1-c1cnc(C[C@H]2CCC[N@@H+](C(C)C)C2)cn1 ZINC000257223568 190015012 /nfs/dbraw/zinc/01/50/12/190015012.db2.gz DXYJNBPSXGIKHN-CQSZACIVSA-N 1 0 299.422 2.838 40 0 CFABRO CCCn1nccc1-c1ncccc1C[C@H]1CC[NH2+]C1 ZINC000257253393 190020589 /nfs/dbraw/zinc/02/05/89/190020589.db2.gz JYTKMBRQDHQCGQ-CYBMUJFWSA-N 1 0 270.380 2.507 40 0 CFABRO Cc1c[nH]c([C@@H]2CC[N@H+](Cc3cc(F)cc(F)c3)C2)n1 ZINC000257237223 190017474 /nfs/dbraw/zinc/01/74/74/190017474.db2.gz HFPYISRRAZKQMA-GFCCVEGCSA-N 1 0 277.318 2.986 40 0 CFABRO C[NH+]1CCC(CCc2ccnc(Nc3cnccn3)c2)CC1 ZINC000257264218 190023012 /nfs/dbraw/zinc/02/30/12/190023012.db2.gz LTJVKDXDLOKEDM-UHFFFAOYSA-N 1 0 297.406 2.890 40 0 CFABRO Cc1c[nH]c([C@H]2CC[N@H+](CC3=Cc4ccccc4OC3)C2)n1 ZINC000257265685 190023149 /nfs/dbraw/zinc/02/31/49/190023149.db2.gz LZWBXKOHMCPWRU-INIZCTEOSA-N 1 0 295.386 2.983 40 0 CFABRO CNc1cc([C@@H]2CCC[N@H+](Cc3cccnc3)C2)ccn1 ZINC000257272185 190023713 /nfs/dbraw/zinc/02/37/13/190023713.db2.gz NBIVUYDFPQCYJW-MRXNPFEDSA-N 1 0 282.391 2.898 40 0 CFABRO Cc1cc(-c2cc(CC3CC[NH+](C(C)C)CC3)ncn2)n[nH]1 ZINC000257271077 190023737 /nfs/dbraw/zinc/02/37/37/190023737.db2.gz MWSIFPOIPPYXNT-UHFFFAOYSA-N 1 0 299.422 2.838 40 0 CFABRO CCCn1nccc1-c1cccc(CC2CC[NH2+]CC2)n1 ZINC000257256379 190021494 /nfs/dbraw/zinc/02/14/94/190021494.db2.gz KLEXXCNIJQWATQ-UHFFFAOYSA-N 1 0 284.407 2.897 40 0 CFABRO Cc1ncsc1-c1cncc(C[C@H]2CCC[N@@H+](C)C2)n1 ZINC000257262353 190022472 /nfs/dbraw/zinc/02/24/72/190022472.db2.gz LLBVELGJERNPIX-GFCCVEGCSA-N 1 0 288.420 2.793 40 0 CFABRO CCCn1nccc1-c1cnc(CC2CC[NH+](C)CC2)cn1 ZINC000257280456 190025632 /nfs/dbraw/zinc/02/56/32/190025632.db2.gz OKYKHGYCKZYCHW-UHFFFAOYSA-N 1 0 299.422 2.634 40 0 CFABRO CC(C)n1nccc1C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000257282615 190026255 /nfs/dbraw/zinc/02/62/55/190026255.db2.gz OUMOYNQVSHTDHX-ZDUSSCGKSA-N 1 0 273.384 2.567 40 0 CFABRO CCCn1nccc1-c1cnc(C2CC[NH+](C)CC2)cn1 ZINC000257312548 190031619 /nfs/dbraw/zinc/03/16/19/190031619.db2.gz UOMFUZJKZKRNEK-UHFFFAOYSA-N 1 0 285.395 2.559 40 0 CFABRO CCn1cc(-c2cncc(C3CC[NH+](C(C)C)CC3)n2)cn1 ZINC000257303493 190030322 /nfs/dbraw/zinc/03/03/22/190030322.db2.gz SHMPXPWRRJJQMI-UHFFFAOYSA-N 1 0 299.422 2.948 40 0 CFABRO Cc1nc([C@@H]2CCC[NH2+]C2)ncc1C(=O)Nc1ccccc1 ZINC000257322262 190033555 /nfs/dbraw/zinc/03/35/55/190033555.db2.gz WFGCNAAOSZJMJC-CYBMUJFWSA-N 1 0 296.374 2.504 40 0 CFABRO Cc1nc([C@H]2CCC[NH2+]C2)ncc1C(=O)Nc1ccccc1 ZINC000257322263 190033567 /nfs/dbraw/zinc/03/35/67/190033567.db2.gz WFGCNAAOSZJMJC-ZDUSSCGKSA-N 1 0 296.374 2.504 40 0 CFABRO CCCn1nccc1-c1cc(C[C@@H]2CC[N@H+](C)C2)ccn1 ZINC000257328879 190034617 /nfs/dbraw/zinc/03/46/17/190034617.db2.gz XHLLKEZRIVYSJO-HNNXBMFYSA-N 1 0 284.407 2.849 40 0 CFABRO Cc1cnc(-c2cc([C@H]3CCC[N@H+]3C)nc(C)n2)s1 ZINC000257333000 190035299 /nfs/dbraw/zinc/03/52/99/190035299.db2.gz XZPMTFRREWBZQC-CYBMUJFWSA-N 1 0 274.393 2.984 40 0 CFABRO C[N@@H+]1CCC[C@@H](c2cccc(NCc3ccccn3)n2)C1 ZINC000257331934 190035340 /nfs/dbraw/zinc/03/53/40/190035340.db2.gz XUYOVMLFNDYUFZ-CQSZACIVSA-N 1 0 282.391 2.898 40 0 CFABRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](OC(=O)c1ccc(F)cc1)C2 ZINC000257355227 190037919 /nfs/dbraw/zinc/03/79/19/190037919.db2.gz YXDFSLSXLYAAPF-WDNDVIMCSA-N 1 0 263.312 2.608 40 0 CFABRO CCOc1cc(C[NH3+])c(-n2cccc2)cc1OCC ZINC000000056345 169520312 /nfs/dbraw/zinc/52/03/12/169520312.db2.gz YNCZQBYIFNWFTG-UHFFFAOYSA-N 1 0 260.337 2.733 40 0 CFABRO C[N@@H+]1CCC[C@H](c2nc3ccc(-c4ccncc4)cn3n2)C1 ZINC000306137678 382453541 /nfs/dbraw/zinc/45/35/41/382453541.db2.gz RCZLZJQWRJLCLV-HNNXBMFYSA-N 1 0 293.374 2.601 40 0 CFABRO C[N@@H+]1CCC[C@@H](c2nc3ccc(-c4cccnc4)cn3n2)C1 ZINC000306138526 382453562 /nfs/dbraw/zinc/45/35/62/382453562.db2.gz RZTQQNRQFDVBLE-OAHLLOKOSA-N 1 0 293.374 2.601 40 0 CFABRO CC(C)(C)OC(=O)N1CCC[C@@H]2[NH2+]CCC[C@@]21C ZINC000205684119 382773756 /nfs/dbraw/zinc/77/37/56/382773756.db2.gz HVTCNJJXIUDMEE-FZMZJTMJSA-N 1 0 254.374 2.528 40 0 CFABRO COCC[NH2+]Cc1cccn1-c1cc(C)ccc1C ZINC000223681656 382806304 /nfs/dbraw/zinc/80/63/04/382806304.db2.gz GIZQUNPCSSJZLE-UHFFFAOYSA-N 1 0 258.365 2.830 40 0 CFABRO O=C(C1CCCC1)N1CC[C@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000225686575 382820353 /nfs/dbraw/zinc/82/03/53/382820353.db2.gz PAPDUOOZWCGVBW-SFHVURJKSA-N 1 0 298.430 2.836 40 0 CFABRO CCOc1ccc(C(=O)NCCC[NH+]2CCCC2)cc1C ZINC000225700160 382820561 /nfs/dbraw/zinc/82/05/61/382820561.db2.gz HALFQSPKMKCETR-UHFFFAOYSA-N 1 0 290.407 2.609 40 0 CFABRO COc1cccc(-c2cnc(N(C)C)nc2[C@H]2CCC[NH2+]2)c1 ZINC000257198023 383493677 /nfs/dbraw/zinc/49/36/77/383493677.db2.gz QMMCJCLIGGOCHL-OAHLLOKOSA-N 1 0 298.390 2.643 40 0 CFABRO CC(C)n1nccc1-c1nccnc1[C@H]1CCC[N@H+](C)C1 ZINC000257330697 383495056 /nfs/dbraw/zinc/49/50/56/383495056.db2.gz XPNORULFGBCFQC-ZDUSSCGKSA-N 1 0 285.395 2.730 40 0 CFABRO CC(=O)Nc1ccc(/C=C/c2cc[n+](C)cc2)cc1 ZINC000001601740 169723348 /nfs/dbraw/zinc/72/33/48/169723348.db2.gz IRVXDVQZLKHGMO-UHFFFAOYSA-O 1 0 253.325 2.640 40 0 CFABRO COc1cccc(C=O)c1OCCCC[NH+]1CCCC1 ZINC000217792169 533443445 /nfs/dbraw/zinc/44/34/45/533443445.db2.gz VYORZWCAMUYTHF-UHFFFAOYSA-N 1 0 277.364 2.763 40 0 CFABRO FC(F)c1n[nH]c2c1C[C@@H]1C[N@H+](Cc3ccccn3)C[C@H]21 ZINC000019401904 393483120 /nfs/dbraw/zinc/48/31/20/393483120.db2.gz LGSZWQQUNYCYJE-SKDRFNHKSA-N 1 0 290.317 2.514 40 0 CFABRO FC(F)(F)c1n[nH]c2c1CC[C@@H]1C[N@H+](CC3CC3)C[C@H]21 ZINC000019015104 393483470 /nfs/dbraw/zinc/48/34/70/393483470.db2.gz ORHUFPHEYYVCOG-KOLCDFICSA-N 1 0 285.313 2.800 40 0 CFABRO C[C@H]1CCC[C@H]1OC[C@H](O)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000010434809 393470678 /nfs/dbraw/zinc/47/06/78/393470678.db2.gz YNHPVKYUSWWEAF-ZVDSWSACSA-N 1 0 269.429 2.530 40 0 CFABRO CCCN(Cc1ccccn1)C[C@@H]1CCC[N@@H+]1CC ZINC000023247767 393490023 /nfs/dbraw/zinc/49/00/23/393490023.db2.gz FNKYKDPXUFWVCQ-INIZCTEOSA-N 1 0 261.413 2.778 40 0 CFABRO CC[C@@H]([NH2+]C)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072207671 393641876 /nfs/dbraw/zinc/64/18/76/393641876.db2.gz CENDFVPDXZUHOW-NEPJUHHUSA-N 1 0 256.390 2.774 40 0 CFABRO C[NH2+][C@H](c1ccccc1)[C@@H](C)NC(=O)OC(C)(C)C ZINC000072207617 393642054 /nfs/dbraw/zinc/64/20/54/393642054.db2.gz HRJGSVRQCMDHNZ-YPMHNXCESA-N 1 0 264.369 2.860 40 0 CFABRO CC(C)(C)OC(=O)Nc1ncccc1[C@@H]1CCC[NH2+]1 ZINC000072214360 393645510 /nfs/dbraw/zinc/64/55/10/393645510.db2.gz LHAPFIGNBMMUDG-NSHDSACASA-N 1 0 263.341 2.853 40 0 CFABRO C[NH2+]Cc1cnc(N2CCc3ccccc32)c(C)c1 ZINC000072222912 393646240 /nfs/dbraw/zinc/64/62/40/393646240.db2.gz BZRFWSUVNNSIPX-UHFFFAOYSA-N 1 0 253.349 2.804 40 0 CFABRO Cc1cc([C@@H]2CCC[N@H+]2C(C)C)cnc1N1CCOCC1 ZINC000072219339 393646389 /nfs/dbraw/zinc/64/63/89/393646389.db2.gz MUKUFVKENFKNDN-INIZCTEOSA-N 1 0 289.423 2.772 40 0 CFABRO Cc1cc([C@H](C)[NH3+])cnc1N1CCc2ccccc2C1 ZINC000072222852 393646587 /nfs/dbraw/zinc/64/65/87/393646587.db2.gz ZBKRXJVHAGNFBQ-ZDUSSCGKSA-N 1 0 267.376 2.972 40 0 CFABRO [NH3+][C@H]1CCN(c2cc(-c3ccc(F)cc3)nc(C3CC3)n2)C1 ZINC000096517005 393836018 /nfs/dbraw/zinc/83/60/18/393836018.db2.gz YVUUSSIVDMPIQG-AWEZNQCLSA-N 1 0 298.365 2.698 40 0 CFABRO [NH3+][C@H](Cc1ccccc1)c1nc(CNc2ccccc2)n[nH]1 ZINC000095534859 393812988 /nfs/dbraw/zinc/81/29/88/393812988.db2.gz SBCAJQUTIWVARH-OAHLLOKOSA-N 1 0 293.374 2.659 40 0 CFABRO CCS(=O)(=O)[C@@H](C)[C@H]([NH3+])c1ccc(Cl)cc1Cl ZINC000096524843 393838140 /nfs/dbraw/zinc/83/81/40/393838140.db2.gz XVOKHOAGONDZMG-CPCISQLKSA-N 1 0 296.219 2.816 40 0 CFABRO CC(C)C[N@@H+]1CCC[C@@]12CCN(C(=O)C1(F)CCC1)C2 ZINC000585099575 395100006 /nfs/dbraw/zinc/10/00/06/395100006.db2.gz QUSVTPNWXYNASR-HNNXBMFYSA-N 1 0 282.403 2.602 40 0 CFABRO CC(C)C[N@@H+]1CCC[C@]12CCN(C(=O)C1(F)CCC1)C2 ZINC000585099576 395100171 /nfs/dbraw/zinc/10/01/71/395100171.db2.gz QUSVTPNWXYNASR-OAHLLOKOSA-N 1 0 282.403 2.602 40 0 CFABRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]([NH3+])c1ccccc1 ZINC000072208917 397590509 /nfs/dbraw/zinc/59/05/09/397590509.db2.gz SQWVCBMYWHDLCU-ZYHUDNBSSA-N 1 0 250.342 2.600 40 0 CFABRO C[NH+](C)C[C@@H](O)CCO[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000028295521 289189470 /nfs/dbraw/zinc/18/94/70/289189470.db2.gz LIRXPXDQDPBLEQ-TTZDDIAXSA-N 1 0 269.429 2.530 40 0 CFABRO O=C(c1ccccc1)N1CC[NH+](C[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000004745998 170010312 /nfs/dbraw/zinc/01/03/12/170010312.db2.gz VXXFRTLOMBXMOB-NJAFHUGGSA-N 1 0 296.414 2.657 40 0 CFABRO c1cc(CN2CCC([NH+]3CCCCC3)CC2)ccn1 ZINC000004904191 170039185 /nfs/dbraw/zinc/03/91/85/170039185.db2.gz BWGLKGSUUIUCGL-UHFFFAOYSA-N 1 0 259.397 2.532 40 0 CFABRO CC(C)CC(=O)OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000005384162 170092950 /nfs/dbraw/zinc/09/29/50/170092950.db2.gz XDCAWKGUGMQZGF-UONOGXRCSA-N 1 0 253.386 2.840 40 0 biogenic,in-vitro CFABRO O=C(OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccccc1O ZINC000005679253 170127611 /nfs/dbraw/zinc/12/76/11/170127611.db2.gz FPBZOZUALKCMGP-DZGCQCFKSA-N 1 0 289.375 2.814 40 0 biogenic,in-vitro CFABRO C[C@@H]1[C@H](C(=O)NCCc2ccccc2)C[C@H]2CCCC[N@H+]12 ZINC000005758906 170137595 /nfs/dbraw/zinc/13/75/95/170137595.db2.gz DWHJHICDODTXMK-DJIMGWMZSA-N 1 0 286.419 2.608 40 0 CFABRO O=Cc1ccc(OC[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1O ZINC000005943973 170160340 /nfs/dbraw/zinc/16/03/40/170160340.db2.gz ZHLARUGYDIKKSN-GDBMZVCRSA-N 1 0 289.375 2.848 40 0 CFABRO C[C@H]1CCCC[N@@H+]1C[C@H](O)COc1ccccc1Cl ZINC000006455738 170202431 /nfs/dbraw/zinc/20/24/31/170202431.db2.gz UKYJCOVBHITCED-STQMWFEESA-N 1 0 283.799 2.954 40 0 CFABRO Fc1ccccc1NC(=S)NCCC[NH+]1CCCC1 ZINC000007026922 170262880 /nfs/dbraw/zinc/26/28/80/170262880.db2.gz ATLMOOFFJJOKDI-UHFFFAOYSA-N 1 0 281.400 2.598 40 0 CFABRO Cc1cc(C)cc(NC(=S)NCCC[NH+](C)C)c1 ZINC000007526511 170289286 /nfs/dbraw/zinc/28/92/86/170289286.db2.gz CYEWOJODTDWSPS-UHFFFAOYSA-N 1 0 265.426 2.542 40 0 CFABRO Cc1ccc(NC(=S)NC[C@@H]2CCC[N@@H+](C)C2)c(C)c1 ZINC000009876129 170388377 /nfs/dbraw/zinc/38/83/77/170388377.db2.gz NJSQGKUYWSNBJS-AWEZNQCLSA-N 1 0 291.464 2.932 40 0 CFABRO C[N@@H+]1CCC[C@H](CNC(=S)Nc2ccccc2Cl)C1 ZINC000009876179 170388451 /nfs/dbraw/zinc/38/84/51/170388451.db2.gz OPCOMJLSVVXKPT-LLVKDONJSA-N 1 0 297.855 2.968 40 0 CFABRO Cc1ccc(SCCC(=O)NCCC[NH+](C)C)cc1 ZINC000010111344 170397742 /nfs/dbraw/zinc/39/77/42/170397742.db2.gz CGZAQPTWMKWWGA-UHFFFAOYSA-N 1 0 280.437 2.545 40 0 CFABRO CCSc1cc(OC)c(C[C@@H](C)[NH3+])cc1OC ZINC000013641727 170571909 /nfs/dbraw/zinc/57/19/09/170571909.db2.gz MCYCODJKXUJSAT-SECBINFHSA-N 1 0 255.383 2.706 40 0 in-vitro CFABRO Cc1ccc(NC(=S)NCCC[NH+](C)C)c(C)c1 ZINC000013820719 170598293 /nfs/dbraw/zinc/59/82/93/170598293.db2.gz NPMYEBOUQDLXPN-UHFFFAOYSA-N 1 0 265.426 2.542 40 0 CFABRO Fc1ccc(NC(=S)NCCC[NH+]2CCCC2)c(F)c1 ZINC000018168475 170744759 /nfs/dbraw/zinc/74/47/59/170744759.db2.gz XLTIQMXHXUMZNP-UHFFFAOYSA-N 1 0 299.390 2.737 40 0 CFABRO CCOc1ccc(C(=O)Nc2ccc(C[NH3+])cc2)cc1 ZINC000019391437 170781723 /nfs/dbraw/zinc/78/17/23/170781723.db2.gz DOMRCCZWOOATLN-UHFFFAOYSA-N 1 0 270.332 2.796 40 0 CFABRO CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCC[NH+](C)C ZINC000020050651 170979146 /nfs/dbraw/zinc/97/91/46/170979146.db2.gz SRIKKAWGAVHRLD-HNNXBMFYSA-N 1 0 292.423 2.529 40 0 CFABRO Cc1nc2ccc(NC(=O)CC3CC[NH2+]CC3)cc2s1 ZINC000038075274 174085208 /nfs/dbraw/zinc/08/52/08/174085208.db2.gz WFTOZETZLNFKTI-UHFFFAOYSA-N 1 0 289.404 2.933 40 0 CFABRO [NH3+]C[C@@H](NC(=O)OCc1ccccc1)c1ccccc1 ZINC000038531484 174143942 /nfs/dbraw/zinc/14/39/42/174143942.db2.gz KJUKXDDEPPBPSY-OAHLLOKOSA-N 1 0 270.332 2.613 40 0 CFABRO CCCC[C@H]1C[NH2+]CCN1C(=O)OCc1ccccc1 ZINC000039952231 174176883 /nfs/dbraw/zinc/17/68/83/174176883.db2.gz OJXHYMSDRJRRRV-HNNXBMFYSA-N 1 0 276.380 2.787 40 0 CFABRO CCOC(=O)c1cccc([C@@H]([NH3+])c2cccc(OC)c2)c1 ZINC000044713513 175236026 /nfs/dbraw/zinc/23/60/26/175236026.db2.gz PWPKFDBFHHVIHW-MRXNPFEDSA-N 1 0 285.343 2.920 40 0 CFABRO CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCC[NH+](C)C ZINC000044904896 175274907 /nfs/dbraw/zinc/27/49/07/175274907.db2.gz NDYCXCULJLEMPC-MRXNPFEDSA-N 1 0 292.423 2.529 40 0 CFABRO OC[C@H](c1cccc(C(F)(F)F)c1)[NH+]1CCCC1 ZINC000070453051 175939765 /nfs/dbraw/zinc/93/97/65/175939765.db2.gz YUWWJDCSVNEFAZ-GFCCVEGCSA-N 1 0 259.271 2.835 40 0 CFABRO CC(C)(C)OC(=O)N1CC([NH2+]Cc2cccc(F)c2)C1 ZINC000071335470 176126936 /nfs/dbraw/zinc/12/69/36/176126936.db2.gz ZVNQLIFFTWTWLF-UHFFFAOYSA-N 1 0 280.343 2.535 40 0 CFABRO O=S(=O)(c1ccc(Cl)c(Cl)c1)C1CC[NH2+]CC1 ZINC000071649890 176240674 /nfs/dbraw/zinc/24/06/74/176240674.db2.gz BZMKFYCYWQWHGD-UHFFFAOYSA-N 1 0 294.203 2.519 40 0 CFABRO Clc1cccc(OCCCCN2CCC[NH2+]CC2)c1 ZINC000071978880 176307881 /nfs/dbraw/zinc/30/78/81/176307881.db2.gz BACNJTFJFLUYRX-UHFFFAOYSA-N 1 0 282.815 2.794 40 0 CFABRO CC(C)c1nccn1-c1nccnc1[C@@H]1CCC[N@H+](C)C1 ZINC000072350497 176373723 /nfs/dbraw/zinc/37/37/23/176373723.db2.gz UYSBSZOTKPWHKY-CYBMUJFWSA-N 1 0 285.395 2.595 40 0 CFABRO CC[NH+]1CCC(c2nccnc2Oc2cccnc2)CC1 ZINC000072361570 176377390 /nfs/dbraw/zinc/37/73/90/176377390.db2.gz KFMRGDMOZUAAAT-UHFFFAOYSA-N 1 0 284.363 2.863 40 0 CFABRO CC(C)[N@@H+]1CCC[C@@H](Cc2nccnc2Cl)C1 ZINC000072363356 176377454 /nfs/dbraw/zinc/37/74/54/176377454.db2.gz IQHSSJVBLOQEJV-NSHDSACASA-N 1 0 253.777 2.793 40 0 CFABRO CNc1ncccc1C[N@@H+]1CCC[C@@H](c2cncc(C)n2)C1 ZINC000072364458 176379277 /nfs/dbraw/zinc/37/92/77/176379277.db2.gz GIJCPULEUOCXPY-CQSZACIVSA-N 1 0 297.406 2.601 40 0 CFABRO C[N@@H+]1CCC[C@H](Cc2ccc(-c3cccnc3)nn2)CC1 ZINC000072365138 176379841 /nfs/dbraw/zinc/37/98/41/176379841.db2.gz IBRQJZNUSBNEMK-AWEZNQCLSA-N 1 0 282.391 2.813 40 0 CFABRO Cc1cc(Oc2cccnc2)nc(C2CC[NH+](C)CC2)n1 ZINC000072365071 176380090 /nfs/dbraw/zinc/38/00/90/176380090.db2.gz MSOHUNWTNLBPNT-UHFFFAOYSA-N 1 0 284.363 2.782 40 0 CFABRO Cc1cncnc1C1CC[NH+](CC2(O)CCCCC2)CC1 ZINC000072366726 176381976 /nfs/dbraw/zinc/38/19/76/176381976.db2.gz DLPSJEQFNAKXOU-UHFFFAOYSA-N 1 0 289.423 2.660 40 0 CFABRO Cc1nnc(Nc2cccc(C3CC[NH+](C)CC3)n2)s1 ZINC000072376123 176385343 /nfs/dbraw/zinc/38/53/43/176385343.db2.gz DKMBPFVWZUKHCI-UHFFFAOYSA-N 1 0 289.408 2.794 40 0 CFABRO c1csc([C@H]2CCC[N@H+](C3CCOCC3)C2)n1 ZINC000072381927 176387601 /nfs/dbraw/zinc/38/76/01/176387601.db2.gz MIDYUSJFBGYAHD-NSHDSACASA-N 1 0 252.383 2.502 40 0 CFABRO Fc1ccc(CNc2cnc([C@@H]3CCC[NH2+]3)cn2)cc1 ZINC000072386529 176391378 /nfs/dbraw/zinc/39/13/78/176391378.db2.gz CEINFGBBEZELPO-ZDUSSCGKSA-N 1 0 272.327 2.652 40 0 CFABRO CC(C)[NH2+]C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000073652943 176482760 /nfs/dbraw/zinc/48/27/60/176482760.db2.gz WVCCTTCYYHHOIR-UHFFFAOYSA-N 1 0 276.380 2.786 40 0 CFABRO CCO[C@H]1C[C@H]2c3ccccc3[C@@H]1c1cccc[n+]12 ZINC000005120975 260017005 /nfs/dbraw/zinc/01/70/05/260017005.db2.gz NUISXXHVRQJQAG-YESZJQIVSA-N 1 0 252.337 2.818 40 0 CFABRO CC(C)Nc1ncc(C[NH2+]CCc2ccccc2)cn1 ZINC000062717605 262302391 /nfs/dbraw/zinc/30/23/91/262302391.db2.gz YIQWXNWIXILBGS-UHFFFAOYSA-N 1 0 270.380 2.629 40 0 CFABRO Brc1cc2c[nH+]cn2c(Br)c1 ZINC000237984332 275368551 /nfs/dbraw/zinc/36/85/51/275368551.db2.gz ARKLZBXBOGURCZ-UHFFFAOYSA-N 1 0 275.931 2.859 40 0 CFABRO CC(C)(C)OC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000095097519 275518626 /nfs/dbraw/zinc/51/86/26/275518626.db2.gz BPPZHXPUFQYRNQ-STQMWFEESA-N 1 0 268.401 2.776 40 0 CFABRO CCNc1nc(N2Cc3ccccc3C(C)(C)C2)cc(C)[nH+]1 ZINC000329054170 276255484 /nfs/dbraw/zinc/25/54/84/276255484.db2.gz VJYHDCJLPWUBGG-UHFFFAOYSA-N 1 0 296.418 2.937 40 0 CFABRO COC(=O)c1ccc(/C=C/C2=CC[N@H+](C)CC2)cc1 ZINC000012143033 277153854 /nfs/dbraw/zinc/15/38/54/277153854.db2.gz QZSFDSDAYLIXKS-ONEGZZNKSA-N 1 0 257.333 2.748 40 0 CFABRO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@@H+](C(C)C)C[C@H]12 ZINC000107260348 278058291 /nfs/dbraw/zinc/05/82/91/278058291.db2.gz NPAMZSABRLNJPF-ROUUACIJSA-N 1 0 286.419 2.659 40 0 CFABRO Cc1csc(NC(=O)C[NH2+][C@@H](C)c2ccccc2)n1 ZINC000033895916 281729349 /nfs/dbraw/zinc/72/93/49/281729349.db2.gz BLCTZOAVMXDBRX-NSHDSACASA-N 1 0 275.377 2.741 40 0 CFABRO C[C@@H]1C[C@@H](C(F)(F)F)n2nc(C3CC[NH2+]CC3)cc2N1 ZINC000231303608 297220580 /nfs/dbraw/zinc/22/05/80/297220580.db2.gz AOZLIJCAWRUZCA-KCJUWKMLSA-N 1 0 288.317 2.658 40 0 CFABRO Cc1ccc([C@@]23CCC(=O)N2[C@@H]2CCCC[C@@H]2[NH2+]3)cc1 ZINC000009937052 301777738 /nfs/dbraw/zinc/77/77/38/301777738.db2.gz SFCHCDFQYXPQPH-ZMSDIMECSA-N 1 0 270.376 2.685 40 0 CFABRO Fc1ccc(-c2nccnc2[C@H]2CCC[NH2+]C2)cc1 ZINC000072356375 303129493 /nfs/dbraw/zinc/12/94/93/303129493.db2.gz OWZCTCKFSSGCBN-LBPRGKRZSA-N 1 0 257.312 2.750 40 0 CFABRO Cc1ccc(C[NH2+]CCNc2nc(C)cc(C)n2)s1 ZINC000062717858 333176068 /nfs/dbraw/zinc/17/60/68/333176068.db2.gz DHRFLFHEWMBJOL-UHFFFAOYSA-N 1 0 276.409 2.665 40 0 CFABRO C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OCc1ccccc1 ZINC000328578055 522399965 /nfs/dbraw/zinc/39/99/65/522399965.db2.gz QXNYDGDGCRFDBF-PHZGNYQRSA-N 1 0 288.391 2.928 40 0 CFABRO Cc1ccc(CC(=O)NCCC[NH+]2CCC(C)CC2)cc1 ZINC000020107641 524261896 /nfs/dbraw/zinc/26/18/96/524261896.db2.gz MUXMTEJUXMOLSP-UHFFFAOYSA-N 1 0 288.435 2.776 40 0 CFABRO NC(=[NH2+])Cc1cc(C(F)(F)F)ccc1Br ZINC000228948069 526817447 /nfs/dbraw/zinc/81/74/47/526817447.db2.gz HZRKJTKUMNBGSI-UHFFFAOYSA-N 1 0 281.075 2.946 40 0 CFABRO [NH3+][C@H](Cc1ccccc1)c1nc(-c2cccs2)n[nH]1 ZINC000054700159 527389627 /nfs/dbraw/zinc/38/96/27/527389627.db2.gz KNHDSJBPQPZUSY-LLVKDONJSA-N 1 0 270.361 2.776 40 0 CFABRO FC(F)Oc1cccc(C[NH2+]C[C@@H]2CCCO2)c1 ZINC000062700662 527696542 /nfs/dbraw/zinc/69/65/42/527696542.db2.gz INFXRBDIFSMFHE-LBPRGKRZSA-N 1 0 257.280 2.557 40 0 CFABRO Cc1occc1-c1n[nH]c([C@@H]([NH3+])Cc2ccccc2)n1 ZINC000095534853 185007976 /nfs/dbraw/zinc/00/79/76/185007976.db2.gz ZLMZZAWFJYNRCB-ZDUSSCGKSA-N 1 0 268.320 2.616 40 0 CFABRO c1ccc(C[NH+]2CCN(COc3ccccc3)CC2)cc1 ZINC000095934880 185033708 /nfs/dbraw/zinc/03/37/08/185033708.db2.gz CGWHBTSHHUZZAP-UHFFFAOYSA-N 1 0 282.387 2.841 40 0 CFABRO Cn1ncc2c1C[N@@H+](C1CCCC1)C[C@H]2COCC1CC1 ZINC000096044660 185071701 /nfs/dbraw/zinc/07/17/01/185071701.db2.gz XFWYOMVPAVMLLK-AWEZNQCLSA-N 1 0 289.423 2.689 40 0 CFABRO CN1C(=O)CCC[C@]12CCC[N@H+](Cc1ccsc1)C2 ZINC000096049954 185074427 /nfs/dbraw/zinc/07/44/27/185074427.db2.gz BWZPCOZMITYSTL-OAHLLOKOSA-N 1 0 278.421 2.725 40 0 CFABRO COc1ccc(C[N@@H+]2CC[C@H]3C[C@H](C)O[C@@H]3C2)cc1 ZINC000096062533 185083330 /nfs/dbraw/zinc/08/33/30/185083330.db2.gz LHLDYCZMCHJNHL-DUVNUKRYSA-N 1 0 261.365 2.695 40 0 CFABRO COCC[C@H]1CO[C@]2(CC[N@H+](Cc3ccccc3F)C2)C1 ZINC000096072044 185086812 /nfs/dbraw/zinc/08/68/12/185086812.db2.gz VQYUXQJJJXPFMF-RHSMWYFYSA-N 1 0 293.382 2.843 40 0 CFABRO CCOC[C@H]1C[N@H+](CCc2ccccc2)Cc2c1cnn2C ZINC000096089253 185094389 /nfs/dbraw/zinc/09/43/89/185094389.db2.gz CIPJYCLBUWHYLT-MRXNPFEDSA-N 1 0 299.418 2.599 40 0 CFABRO COC[C@@H]1CC2(CO1)CC[NH+](CCc1ccccc1)CC2 ZINC000096105792 185098916 /nfs/dbraw/zinc/09/89/16/185098916.db2.gz IUYQIRWWOHTPQU-KRWDZBQOSA-N 1 0 289.419 2.747 40 0 CFABRO F[C@@H]1C[N@H+](CC2CC2)C[C@@H]1OCc1nc2ccccc2[nH]1 ZINC000096112180 185101256 /nfs/dbraw/zinc/10/12/56/185101256.db2.gz VGMHICYSTATLAY-DOMZBBRYSA-N 1 0 289.354 2.512 40 0 biogenic,in-vitro CFABRO OCC1CC[NH+](Cc2ccc3cc(F)ccc3n2)CC1 ZINC000096836634 185115687 /nfs/dbraw/zinc/11/56/87/185115687.db2.gz NSZXVOQAXHHDAX-UHFFFAOYSA-N 1 0 274.339 2.578 40 0 CFABRO COc1ccc(C[C@@H](C[NH3+])c2ccccc2)cc1OC ZINC000011587969 346229181 /nfs/dbraw/zinc/22/91/81/346229181.db2.gz ZHNAWZHSCCNHNI-HNNXBMFYSA-N 1 0 271.360 2.989 40 0 CFABRO c1ccc2[nH]c(CCC[NH2+]Cc3ccncc3)nc2c1 ZINC000062718637 346691102 /nfs/dbraw/zinc/69/11/02/346691102.db2.gz RIWFUSDFDPEQFV-UHFFFAOYSA-N 1 0 266.348 2.680 40 0 CFABRO C[C@@H]1CCC[C@@H]1OC[C@@H](O)C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000245229232 348251687 /nfs/dbraw/zinc/25/16/87/348251687.db2.gz ROLPJNXSYMGNIP-OWYFMNJBSA-N 1 0 269.429 2.815 40 0 CFABRO FC[C@@H]1C[NH2+]C[C@@H]1c1cc(Br)cs1 ZINC000409423116 348600693 /nfs/dbraw/zinc/60/06/93/348600693.db2.gz OWBLPHWJHMUKFF-SVRRBLITSA-N 1 0 264.163 2.783 40 0 CFABRO CC(C)(C)OC(=O)N1CCC2(CC[C@@H](C[NH3+])C2)CC1 ZINC000409430943 348601139 /nfs/dbraw/zinc/60/11/39/348601139.db2.gz IKUSHRQPGFBILY-GFCCVEGCSA-N 1 0 268.401 2.763 40 0 CFABRO CO[C@@H]1C[N@H+](Cc2c[nH]nc2C)CC[C@@H]1Cc1ccccc1 ZINC000585279429 348738871 /nfs/dbraw/zinc/73/88/71/348738871.db2.gz MDDDGYJCJUQLJH-SJLPKXTDSA-N 1 0 299.418 2.798 40 0 CFABRO CC(C)[NH+]1CC2(C1)C[C@H](OCc1ccccn1)CS2 ZINC000585105268 348734148 /nfs/dbraw/zinc/73/41/48/348734148.db2.gz RTCWAXJLUGWQKZ-AWEZNQCLSA-N 1 0 278.421 2.567 40 0 CFABRO c1cnc(N2CC[C@@H]3[C@H](C[N@H+]3CC3CCCCC3)C2)nc1 ZINC000585107992 348734160 /nfs/dbraw/zinc/73/41/60/348734160.db2.gz QKXAMHGROVEQJB-JKSUJKDBSA-N 1 0 286.423 2.567 40 0 CFABRO c1cncc(O[C@H]2CSC3(C[NH+](C4CCC4)C3)C2)c1 ZINC000585103325 348734616 /nfs/dbraw/zinc/73/46/16/348734616.db2.gz AQYIKEJVQJFWTC-CQSZACIVSA-N 1 0 276.405 2.573 40 0 CFABRO Cn1cc(C[N@@H+]2CC[C@]3(C[C@@H](c4ccccc4)CO3)C2)cn1 ZINC000107785071 186190154 /nfs/dbraw/zinc/19/01/54/186190154.db2.gz NISGUEIHBYIOBH-MSOLQXFVSA-N 1 0 297.402 2.569 40 0 CFABRO Cc1c(F)cccc1C[NH+]1CCC2(CCC(=O)NC2)CC1 ZINC000108526203 186220885 /nfs/dbraw/zinc/22/08/85/186220885.db2.gz VHKRPUREPUSICV-UHFFFAOYSA-N 1 0 290.382 2.626 40 0 CFABRO CCCOC(=O)[C@@H](c1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000606451964 351272820 /nfs/dbraw/zinc/27/28/20/351272820.db2.gz PRMWWEANNQSWAR-CABCVRRESA-N 1 0 261.365 2.866 40 0 CFABRO C[C@H]1C[C@H](C(F)(F)F)n2nc(C3CC[NH2+]CC3)cc2N1 ZINC000231303618 540997362 /nfs/dbraw/zinc/99/73/62/540997362.db2.gz AOZLIJCAWRUZCA-GZMMTYOYSA-N 1 0 288.317 2.658 40 0 CFABRO Nc1cc(N2CCCN3CCC[NH+]=C32)cc(C(F)(F)F)c1 ZINC000228927752 283658784 /nfs/dbraw/zinc/65/87/84/283658784.db2.gz SLNXLOHQWKQRLG-UHFFFAOYSA-N 1 0 298.312 2.559 40 0 CFABRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc(Cl)nc1 ZINC000002004281 371711985 /nfs/dbraw/zinc/71/19/85/371711985.db2.gz NDRNTIUILXDCAC-GFCCVEGCSA-N 1 0 297.830 2.975 40 0 CFABRO O[C@H](COc1ccccc1Cl)C[NH+]1CCCCC1 ZINC000001575362 371683539 /nfs/dbraw/zinc/68/35/39/371683539.db2.gz GCSJPQCYLOSWBR-LBPRGKRZSA-N 1 0 269.772 2.566 40 0 CFABRO C[N@@H+]1CCC(c2ccccc2)(c2ccccc2)[C@@H](O)C1 ZINC000001594090 371684558 /nfs/dbraw/zinc/68/45/58/371684558.db2.gz RJCOJCFNNDCSOK-KRWDZBQOSA-N 1 0 267.372 2.669 40 0 CFABRO C[NH+](C)CCCNc1nc2cc(Cl)ccc2o1 ZINC000001615419 371688282 /nfs/dbraw/zinc/68/82/82/371688282.db2.gz UPXNTQIUGPERQJ-UHFFFAOYSA-N 1 0 253.733 2.845 40 0 CFABRO COC(=O)[C@@H]1CCC[N@H+](Cc2c[nH]c3ccccc23)C1 ZINC000001664908 371691843 /nfs/dbraw/zinc/69/18/43/371691843.db2.gz XANXIGGTTWJFID-GFCCVEGCSA-N 1 0 272.348 2.553 40 0 CFABRO CCN(CC)c1cccc(C(=O)OCC[NH2+]CC(C)C)c1 ZINC000001669897 371693681 /nfs/dbraw/zinc/69/36/81/371693681.db2.gz ONJKVRDGQLYVOT-UHFFFAOYSA-N 1 0 292.423 2.935 40 0 CFABRO CC[n+]1ccc(/C=C/c2ccc(O)c(OC)c2)cc1 ZINC000001665090 371694138 /nfs/dbraw/zinc/69/41/38/371694138.db2.gz UNYDHKPDSSVJQQ-UHFFFAOYSA-O 1 0 256.325 2.879 40 0 CFABRO COc1ccc([C@H](Cc2ccccc2)[NH2+]CCO)cc1 ZINC000001666286 371694299 /nfs/dbraw/zinc/69/42/99/371694299.db2.gz UXQHCKLFFBBVDU-KRWDZBQOSA-N 1 0 271.360 2.561 40 0 CFABRO O[C@H](C[NH2+][C@H]1CCc2ccccc21)COc1ccccc1 ZINC000001718122 371702046 /nfs/dbraw/zinc/70/20/46/371702046.db2.gz MXUUOMBREIUEQT-QAPCUYQASA-N 1 0 283.371 2.703 40 0 CFABRO CCCCCC[N@@H+]1CCC[C@H](OC(=O)N(C)C)C1 ZINC000001731648 371702806 /nfs/dbraw/zinc/70/28/06/371702806.db2.gz LIDIEESTMCMGMQ-ZDUSSCGKSA-N 1 0 256.390 2.729 40 0 CFABRO O=C(NCCC[NH+]1CCCC1)c1cccc(Cl)c1 ZINC000003177966 371777315 /nfs/dbraw/zinc/77/73/15/371777315.db2.gz CCOOAHHEMJDHDD-UHFFFAOYSA-N 1 0 266.772 2.556 40 0 CFABRO CC(=O)O[C@@H]1[C@@H]2CCC[C@H]1CC[C@@H]2[NH+]1CCCCC1 ZINC000004024122 371828641 /nfs/dbraw/zinc/82/86/41/371828641.db2.gz KSJDJOYKEJTGAN-FZKCQIBNSA-N 1 0 265.397 2.983 40 0 CFABRO CCOC(=O)[C@H]1C[C@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000004343449 371850522 /nfs/dbraw/zinc/85/05/22/371850522.db2.gz XJCLMIPLNVXPDG-RRFJBIMHSA-N 1 0 259.349 2.775 40 0 CFABRO Cn1c(SCc2ccccc2)nnc1[C@@H]1CCC[NH2+]C1 ZINC000004411223 371854415 /nfs/dbraw/zinc/85/44/15/371854415.db2.gz CGJMPRKPDIKABT-CYBMUJFWSA-N 1 0 288.420 2.574 40 0 CFABRO CC(=O)O[C@H]1CC[N@@H+](CCc2ccccc2)[C@@H](C)[C@@H]1C ZINC000004601847 371867429 /nfs/dbraw/zinc/86/74/29/371867429.db2.gz YNNDIBSJMPQCKB-ZQIUZPCESA-N 1 0 275.392 2.891 40 0 CFABRO Cc1ccc([C@]23CCC(=O)N2[C@H]2CCCC[C@@H]2[NH2+]3)cc1 ZINC000009937062 371902250 /nfs/dbraw/zinc/90/22/50/371902250.db2.gz SFCHCDFQYXPQPH-ZOBUZTSGSA-N 1 0 270.376 2.685 40 0 CFABRO c1ccc2c(c1)CCCN2C1[C@@H]2CCC[C@H]1C[NH2+]C2 ZINC000012144245 371945509 /nfs/dbraw/zinc/94/55/09/371945509.db2.gz OBQXJMLZHBHJKA-FKEKPDDDSA-N 1 0 256.393 2.827 40 0 CFABRO Cc1ccc([C@@H]([NH3+])CNC(=O)OC(C)(C)C)cc1 ZINC000012357111 371954831 /nfs/dbraw/zinc/95/48/31/371954831.db2.gz XXAGTFDDCAQYAH-LBPRGKRZSA-N 1 0 250.342 2.520 40 0 CFABRO CCC1(CC)CCN(C(=O)[C@@H]2CC=CC[NH2+][C@H]2C)C1 ZINC000019500836 372170023 /nfs/dbraw/zinc/17/00/23/372170023.db2.gz OHFZZYREJMHWOS-UONOGXRCSA-N 1 0 264.413 2.579 40 0 CFABRO C=Cn1ncc(CN(C)C2CC[NH+](C(C)C)CC2)c1C ZINC000019554296 372173205 /nfs/dbraw/zinc/17/32/05/372173205.db2.gz BYMLSVVKTFCBMC-UHFFFAOYSA-N 1 0 276.428 2.597 40 0 CFABRO Cc1[nH]c2cccc(C(=O)N[C@H]3CCC[N@@H+](C)C3)c2c1C ZINC000019576795 372175762 /nfs/dbraw/zinc/17/57/62/372175762.db2.gz XYNIXGMAKLFSDQ-ZDUSSCGKSA-N 1 0 285.391 2.609 40 0 CFABRO COc1ccccc1/C=C/CN1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000019575032 372176765 /nfs/dbraw/zinc/17/67/65/372176765.db2.gz GSCZTLGLYFMIST-AJFISWQDSA-N 1 0 286.419 2.877 40 0 CFABRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCCc1ccccc1 ZINC000019575048 372176795 /nfs/dbraw/zinc/17/67/95/372176795.db2.gz JGUVTYVSQLFMCM-NVXWUHKLSA-N 1 0 258.409 2.788 40 0 CFABRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CCCc1ccccc1 ZINC000019575706 372176890 /nfs/dbraw/zinc/17/68/90/372176890.db2.gz JGUVTYVSQLFMCM-RDJZCZTQSA-N 1 0 258.409 2.788 40 0 CFABRO COC(=O)C(C(=O)OC)[s+]1c(Cl)ccc1Cl ZINC000017108671 372127757 /nfs/dbraw/zinc/12/77/57/372127757.db2.gz LMNORFJHKJWWEK-UHFFFAOYSA-N 1 0 284.140 2.630 40 0 CFABRO O=c1[nH]c2ccccc2cc1C[NH2+]Cc1ccccc1 ZINC000020086640 372227002 /nfs/dbraw/zinc/22/70/02/372227002.db2.gz QYMNLXNVWZZJAM-UHFFFAOYSA-N 1 0 264.328 2.818 40 0 CFABRO CCN(CC)CC[NH2+]Cc1ccc(SC)cc1 ZINC000020089722 372229214 /nfs/dbraw/zinc/22/92/14/372229214.db2.gz QANHFEFKOLXTSC-UHFFFAOYSA-N 1 0 252.427 2.840 40 0 CFABRO c1ccc2c(c1)CCc1c(cccc1N1CC[NH2+]CC1)C2 ZINC000022116450 372244699 /nfs/dbraw/zinc/24/46/99/372244699.db2.gz KGZOIFHAVUHXET-UHFFFAOYSA-N 1 0 278.399 2.786 40 0 CFABRO Cc1cccc(OC[C@@H](O)C[NH2+]C2CCCCC2)c1C ZINC000026780456 372328832 /nfs/dbraw/zinc/32/88/32/372328832.db2.gz SGHGSIFVTCUKJV-INIZCTEOSA-N 1 0 277.408 2.965 40 0 CFABRO C[C@H]1CCC[C@H](C)[NH+]1C[C@H](O)COC1CCCC1 ZINC000035074991 372535382 /nfs/dbraw/zinc/53/53/82/372535382.db2.gz NEIQOMXRXOKOES-IHRRRGAJSA-N 1 0 255.402 2.569 40 0 CFABRO CC[NH+](CC)Cc1nc2nc(Cl)c(Cl)nc2[nH]1 ZINC000033849080 372499571 /nfs/dbraw/zinc/49/95/71/372499571.db2.gz LCPUDEJABQHFDY-UHFFFAOYSA-N 1 0 274.155 2.502 40 0 CFABRO CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)C[NH3+] ZINC000037817056 372722378 /nfs/dbraw/zinc/72/23/78/372722378.db2.gz KIAUQAXVLRJNIR-UHFFFAOYSA-N 1 0 275.179 2.689 40 0 CFABRO C[C@@H]1C[C@@H](C)C[NH+](CCNC(=O)c2cccc(F)c2)C1 ZINC000046882587 373067430 /nfs/dbraw/zinc/06/74/30/373067430.db2.gz ZAIPCXQIUVHFBS-CHWSQXEVSA-N 1 0 278.371 2.533 40 0 CFABRO Cn1c2cc(Cl)ccc2nc1CCCCC[NH3+] ZINC000053944098 373490707 /nfs/dbraw/zinc/49/07/07/373490707.db2.gz HAEITMGKTPPTMJ-UHFFFAOYSA-N 1 0 251.761 2.898 40 0 CFABRO O=C(NCCC[NH+]1CCCCCC1)c1cccc(F)c1 ZINC000057288857 373583711 /nfs/dbraw/zinc/58/37/11/373583711.db2.gz CILZYNQDNOWEOB-UHFFFAOYSA-N 1 0 278.371 2.822 40 0 CFABRO O=C(Cc1ccc(F)cc1)NCCC[NH+]1CCCCCC1 ZINC000057288863 373584502 /nfs/dbraw/zinc/58/45/02/373584502.db2.gz KLQQVLBSTCOGAD-UHFFFAOYSA-N 1 0 292.398 2.751 40 0 CFABRO C[C@H]([NH2+]Cc1ccc(F)cc1)C(=O)N1CCC(C)CC1 ZINC000057467039 373594191 /nfs/dbraw/zinc/59/41/91/373594191.db2.gz ZTKSEOTWGRYXOD-ZDUSSCGKSA-N 1 0 278.371 2.562 40 0 CFABRO CCOc1cc(C[NH2+]CCOC)ccc1O[C@H](C)CC ZINC000062731214 373765273 /nfs/dbraw/zinc/76/52/73/373765273.db2.gz RTMLIZHZWZLYNY-CYBMUJFWSA-N 1 0 281.396 2.999 40 0 CFABRO Fc1cc(CNC2CC[NH2+]CC2)ccc1C(F)(F)F ZINC000067802740 374003741 /nfs/dbraw/zinc/00/37/41/374003741.db2.gz UVJRKXSHTJVRIB-UHFFFAOYSA-N 1 0 276.277 2.686 40 0 CFABRO CC(C)(C)OC(=O)NCC1CC[NH+](C2CCC2)CC1 ZINC000067801192 374004655 /nfs/dbraw/zinc/00/46/55/374004655.db2.gz WOJWUPNNILTLSP-UHFFFAOYSA-N 1 0 268.401 2.776 40 0 CFABRO [NH3+]C[C@H](Oc1cncc(Br)c1)c1ccccc1 ZINC000070486387 374188472 /nfs/dbraw/zinc/18/84/72/374188472.db2.gz PQYZCDIYOXFRCI-ZDUSSCGKSA-N 1 0 293.164 2.923 40 0 CFABRO Cc1ccc(C(=O)NCCC[NH+]2CCCCC2)c(C)c1 ZINC000072781859 374288031 /nfs/dbraw/zinc/28/80/31/374288031.db2.gz JQPXVOBBKDTBEY-UHFFFAOYSA-N 1 0 274.408 2.909 40 0 CFABRO C[NH+]1CCC(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000074713346 374434854 /nfs/dbraw/zinc/43/48/54/374434854.db2.gz GQCLXZCJJLSSEX-UHFFFAOYSA-N 1 0 252.745 2.620 40 0 CFABRO C[C@H]1Cc2ccccc2N1C(=O)CC1CC[NH+](C)CC1 ZINC000074921072 374447073 /nfs/dbraw/zinc/44/70/73/374447073.db2.gz SVIFNEOAUUSHTP-ZDUSSCGKSA-N 1 0 272.392 2.696 40 0 CFABRO Cc1ccc(C)c(NC(=O)CC2CC[NH+](C)CC2)c1 ZINC000074920987 374447491 /nfs/dbraw/zinc/44/74/91/374447491.db2.gz AFHFHRCBZKAVTC-UHFFFAOYSA-N 1 0 260.381 2.974 40 0 CFABRO OCC[NH2+][C@H]1CCCC[C@H]1N(Cc1ccccc1)C1CC1 ZINC000079414440 374609772 /nfs/dbraw/zinc/60/97/72/374609772.db2.gz NCPOXUMGAARBKR-ZWKOTPCHSA-N 1 0 288.435 2.544 40 0 CFABRO CC(C)[C@H]([NH3+])C(=O)N(Cc1ccc(F)cc1)C(C)C ZINC000079420411 374610123 /nfs/dbraw/zinc/61/01/23/374610123.db2.gz HIYHLABMALBFQA-AWEZNQCLSA-N 1 0 266.360 2.546 40 0 CFABRO CC(C)[NH2+]Cc1ccccc1I ZINC000079438394 374611690 /nfs/dbraw/zinc/61/16/90/374611690.db2.gz XSBRNDDHECCPFP-UHFFFAOYSA-N 1 0 275.133 2.789 40 0 CFABRO O=C1Oc2ccccc2[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000080274210 374647948 /nfs/dbraw/zinc/64/79/48/374647948.db2.gz BSSJUCACDKXHPW-HZPDHXFCSA-N 1 0 279.339 2.821 40 0 CFABRO C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000082333008 374737945 /nfs/dbraw/zinc/73/79/45/374737945.db2.gz SNKJUFYNIKKKRR-SNVBAGLBSA-N 1 0 286.297 2.986 40 0 CFABRO C[C@@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccn1 ZINC000095088935 375411589 /nfs/dbraw/zinc/41/15/89/375411589.db2.gz SHSRBPGOGUWTTM-OLZOCXBDSA-N 1 0 291.395 2.742 40 0 CFABRO c1ccc(C[C@H]2C[NH2+]CC[C@H]2OCC2CCOCC2)cc1 ZINC000096215175 375476645 /nfs/dbraw/zinc/47/66/45/375476645.db2.gz MVBRYTHNQYRNQP-ZWKOTPCHSA-N 1 0 289.419 2.650 40 0 CFABRO COC[C@@H]1COCCC12CC[NH+](Cc1ccccc1)CC2 ZINC000096215256 375478258 /nfs/dbraw/zinc/47/82/58/375478258.db2.gz YGHMZNYOLVDCOE-QGZVFWFLSA-N 1 0 289.419 2.952 40 0 CFABRO [NH3+]C1CCC2(CCC(=O)N2Cc2cccc(F)c2)CC1 ZINC000096228620 375478921 /nfs/dbraw/zinc/47/89/21/375478921.db2.gz OVBIAZCDZRBMMY-UHFFFAOYSA-N 1 0 276.355 2.588 40 0 CFABRO CC(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(c1nncs1)C2 ZINC000096217201 375478989 /nfs/dbraw/zinc/47/89/89/375478989.db2.gz HRAJGGCHBDRJMM-OAHLLOKOSA-N 1 0 294.468 2.877 40 0 CFABRO CC[N@@H+]1CCCCC12CCN(C(=O)c1ccccn1)CC2 ZINC000096217557 375480279 /nfs/dbraw/zinc/48/02/79/375480279.db2.gz RGHXHYVBPDSFSR-UHFFFAOYSA-N 1 0 287.407 2.562 40 0 CFABRO CN1CC[C@@]2(c3ccccc3)CC[N@H+](CC3CC3)C[C@H]12 ZINC000096251812 375481387 /nfs/dbraw/zinc/48/13/87/375481387.db2.gz QHECJBFSKYLWJM-ROUUACIJSA-N 1 0 270.420 2.744 40 0 CFABRO CC(C)[N@@H+]1CC[C@@]2(c3ccccc3)CCN(C)[C@@H]2C1 ZINC000096251811 375481990 /nfs/dbraw/zinc/48/19/90/375481990.db2.gz QAUBHKPALPHLRH-IAGOWNOFSA-N 1 0 258.409 2.743 40 0 CFABRO c1cc(-c2ncnc3c2CC[N@H+](CC2CC2)CC3)co1 ZINC000096255177 375482117 /nfs/dbraw/zinc/48/21/17/375482117.db2.gz OSGXNJRHANGPHJ-UHFFFAOYSA-N 1 0 269.348 2.547 40 0 CFABRO O=C1C[C@H]2[C@H](CC[N@@H+]2Cc2cccnc2)N1c1ccsc1 ZINC000096245967 375482146 /nfs/dbraw/zinc/48/21/46/375482146.db2.gz PXSNPKIOXWHSLK-GJZGRUSLSA-N 1 0 299.399 2.523 40 0 CFABRO [NH3+]C[C@H](NC(=O)OCc1ccccc1)C1CCCCC1 ZINC000096295493 375483545 /nfs/dbraw/zinc/48/35/45/375483545.db2.gz LOHYRTJICSXCPL-HNNXBMFYSA-N 1 0 276.380 2.820 40 0 CFABRO OCC[NH2+][C@@H]1CCCC[C@@H]1N(Cc1ccccc1)C1CC1 ZINC000100314723 375619328 /nfs/dbraw/zinc/61/93/28/375619328.db2.gz NCPOXUMGAARBKR-MSOLQXFVSA-N 1 0 288.435 2.544 40 0 CFABRO Cc1c(C[NH2+]Cc2ccccc2)cnn1CC(F)F ZINC000256049746 190002519 /nfs/dbraw/zinc/00/25/19/190002519.db2.gz BGGOCVXPULCUMX-UHFFFAOYSA-N 1 0 265.307 2.746 40 0 CFABRO Cc1nn(C(C)C)cc1C[NH2+]CCCOC(C)C ZINC000256051203 190003533 /nfs/dbraw/zinc/00/35/33/190003533.db2.gz IDLLHKUFKAITSP-UHFFFAOYSA-N 1 0 253.390 2.677 40 0 CFABRO CCOc1ccc(C[NH2+]Cc2cnn(CCF)c2)cc1 ZINC000256052856 190004131 /nfs/dbraw/zinc/00/41/31/190004131.db2.gz OYBHOTGHDWTRAS-UHFFFAOYSA-N 1 0 277.343 2.541 40 0 CFABRO CC[C@@H](C)n1nccc1CNCCC[NH+](CC)CC ZINC000256052380 190004189 /nfs/dbraw/zinc/00/41/89/190004189.db2.gz NCFBQORRRQRYSM-CQSZACIVSA-N 1 0 266.433 2.676 40 0 CFABRO O=C(OCc1ccccc1)N1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC000098214126 375610139 /nfs/dbraw/zinc/61/01/39/375610139.db2.gz FCRQEWVYELAYNL-KRWDZBQOSA-N 1 0 288.391 2.931 40 0 CFABRO Cn1ccnc1C[N@H+]1C[C@@H]2[C@@H](Cc3cccnc3)CC[C@@H]2C1 ZINC000257202672 190010743 /nfs/dbraw/zinc/01/07/43/190010743.db2.gz AMVLTXSTCXXUIQ-BRWVUGGUSA-N 1 0 296.418 2.516 40 0 CFABRO COc1ccc([C@H]2C[NH2+]CCN2CCC(F)(F)F)cc1 ZINC000257208383 190012111 /nfs/dbraw/zinc/01/21/11/190012111.db2.gz BLYSEEHHULDAFX-CYBMUJFWSA-N 1 0 288.313 2.594 40 0 CFABRO CC(C)[N@@H+]1CCC[C@H](Cc2nccnc2-c2nccn2C)C1 ZINC000257210381 190012357 /nfs/dbraw/zinc/01/23/57/190012357.db2.gz BUKGPRRVOMZBCH-CQSZACIVSA-N 1 0 299.422 2.540 40 0 CFABRO CC(C)c1nccn1-c1cccc([C@H]2CCC[NH2+]C2)n1 ZINC000257216431 190013840 /nfs/dbraw/zinc/01/38/40/190013840.db2.gz CUNABLFGKVRYOI-ZDUSSCGKSA-N 1 0 270.380 2.858 40 0 CFABRO Cc1ccc(C[C@H]2CC[N@H+](Cc3ccncc3)C2)nc1 ZINC000257222491 190014328 /nfs/dbraw/zinc/01/43/28/190014328.db2.gz DTLWHFDTIZYWQQ-MRXNPFEDSA-N 1 0 267.376 2.850 40 0 CFABRO CC(C)[N@@H+]1CCC[C@H](Cc2nccnc2-c2cn[nH]c2)C1 ZINC000257221176 190015043 /nfs/dbraw/zinc/01/50/43/190015043.db2.gz DNUYGZOKYRMSKN-CYBMUJFWSA-N 1 0 285.395 2.530 40 0 CFABRO C[N@@H+]1CCN(Cc2ccccn2)C[C@H]1c1ccccc1 ZINC000257255632 190020543 /nfs/dbraw/zinc/02/05/43/190020543.db2.gz KIGPFSWDMQJTPP-KRWDZBQOSA-N 1 0 267.376 2.570 40 0 CFABRO CNc1cc([C@@H]2CCC[N@H+](Cc3cnn(C)c3C)C2)ccn1 ZINC000257267898 190023384 /nfs/dbraw/zinc/02/33/84/190023384.db2.gz MJICTHDBAWBGCP-OAHLLOKOSA-N 1 0 299.422 2.545 40 0 CFABRO Cc1cc(C)nc(Nc2cccc([C@@H]3CCC[NH2+]C3)n2)n1 ZINC000257271048 190024121 /nfs/dbraw/zinc/02/41/21/190024121.db2.gz MWPBQYAMYNIWID-CYBMUJFWSA-N 1 0 283.379 2.699 40 0 CFABRO Cc1ncsc1C[N@H+]1CCN(C)[C@H](c2ccccc2)C1 ZINC000257253258 190021148 /nfs/dbraw/zinc/02/11/48/190021148.db2.gz JYECSQTWMWCTRY-HNNXBMFYSA-N 1 0 287.432 2.940 40 0 CFABRO Cc1cc(-c2cncc(C[C@H]3CCC[N@@H+](C(C)C)C3)n2)n[nH]1 ZINC000257262077 190022321 /nfs/dbraw/zinc/02/23/21/190022321.db2.gz LJYKGZQDAVFHQH-CQSZACIVSA-N 1 0 299.422 2.838 40 0 CFABRO C[N@@H+]1CCCC[C@@H]2N(C(=O)c3cccnc3)CCC[C@@]21C ZINC000257279732 190025598 /nfs/dbraw/zinc/02/55/98/190025598.db2.gz OHXYOJLUBNBAOT-RDJZCZTQSA-N 1 0 287.407 2.561 40 0 CFABRO CC(C)c1cc(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2)on1 ZINC000257283621 190026042 /nfs/dbraw/zinc/02/60/42/190026042.db2.gz OZBJFUNGWXTXFE-HNNXBMFYSA-N 1 0 299.374 2.585 40 0 CFABRO CNc1ncccc1C[N@@H+]1CCC[C@@H](Cc2ccccn2)C1 ZINC000257276339 190024531 /nfs/dbraw/zinc/02/45/31/190024531.db2.gz NTGVEYXMADBDPA-HNNXBMFYSA-N 1 0 296.418 2.973 40 0 CFABRO CCCn1cc(-c2nccnc2CC2CC[NH+](C)CC2)cn1 ZINC000257293557 190028558 /nfs/dbraw/zinc/02/85/58/190028558.db2.gz QQBQLVAGRXOJOY-UHFFFAOYSA-N 1 0 299.422 2.634 40 0 CFABRO CCCn1nccc1-c1cc(C)nc(CC2CC[NH2+]CC2)n1 ZINC000257304320 190030650 /nfs/dbraw/zinc/03/06/50/190030650.db2.gz SLAVEJPDHIOEGJ-UHFFFAOYSA-N 1 0 299.422 2.601 40 0 CFABRO Cc1noc(C)c1-c1cc(C2CC[NH2+]CC2)nc(C)n1 ZINC000257305865 190031171 /nfs/dbraw/zinc/03/11/71/190031171.db2.gz SRWVBNZGKPWBOS-UHFFFAOYSA-N 1 0 272.352 2.524 40 0 CFABRO COc1ccc(C[N@@H+]2CC[C@@H](c3nc(C)c[nH]3)C2)cc1 ZINC000257307623 190031348 /nfs/dbraw/zinc/03/13/48/190031348.db2.gz SZNJFYILPFGHHE-CQSZACIVSA-N 1 0 271.364 2.716 40 0 CFABRO c1cn2cnc([C@@H]3CC[N@@H+](Cc4cncs4)C3)c2s1 ZINC000257330957 190035581 /nfs/dbraw/zinc/03/55/81/190035581.db2.gz XQTJUZSFKBUKQV-SNVBAGLBSA-N 1 0 290.417 2.842 40 0 CFABRO c1cc([C@@H]2CC[N@@H+](Cc3ccc4ncccc4c3)C2)n[nH]1 ZINC000257334348 190036620 /nfs/dbraw/zinc/03/66/20/190036620.db2.gz YFMUUSTVXKXRRA-OAHLLOKOSA-N 1 0 278.359 2.947 40 0 CFABRO c1cc([C@H]2CC[N@@H+](Cc3ccc4cc[nH]c4c3)C2)n[nH]1 ZINC000257339864 190036769 /nfs/dbraw/zinc/03/67/69/190036769.db2.gz ZDNBPOHZXKCCJF-AWEZNQCLSA-N 1 0 266.348 2.881 40 0 CFABRO Cc1c[nH]c([C@H]2CCC[N@H+](CCOc3ccccc3)C2)n1 ZINC000257341940 190037275 /nfs/dbraw/zinc/03/72/75/190037275.db2.gz ZMMUWYXZQIIBEV-HNNXBMFYSA-N 1 0 285.391 2.977 40 0 CFABRO O=C(CCc1ccccc1F)NCCC[NH+]1CCCCC1 ZINC000224601626 382811774 /nfs/dbraw/zinc/81/17/74/382811774.db2.gz SCKYJDMCLJKOBM-UHFFFAOYSA-N 1 0 292.398 2.751 40 0 CFABRO CCn1c(C[NH2+]CCCOC)ccc1CC(C)C ZINC000226020339 382824424 /nfs/dbraw/zinc/82/44/24/382824424.db2.gz DYAGZBDYMMPOOC-UHFFFAOYSA-N 1 0 252.402 2.833 40 0 CFABRO C[C@@H]1CCCN([C@H](C[NH3+])c2cc(F)ccc2F)C1 ZINC000252117737 383405096 /nfs/dbraw/zinc/40/50/96/383405096.db2.gz IVLWCLGNKWTENP-QMTHXVAHSA-N 1 0 254.324 2.697 40 0 CFABRO C[C@]1(C[NH3+])CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000253380278 383453774 /nfs/dbraw/zinc/45/37/74/383453774.db2.gz YRYXNWZNKHBXMA-OLZOCXBDSA-N 1 0 272.314 2.646 40 0 CFABRO COc1ccc2c(c1)[C@@]13CC[N@H+](C)[C@@H](C2)[C@H]1[C@@H](C)CC(=O)C3 ZINC000253504370 383462400 /nfs/dbraw/zinc/46/24/00/383462400.db2.gz FVZCKWRBLLZDHV-RCUQFMMVSA-N 1 0 299.414 2.808 40 0 biogenic,in-vitro CFABRO CCOc1ccc(Cl)cc1-c1noc(C[NH2+]C)n1 ZINC000256050914 383488850 /nfs/dbraw/zinc/48/88/50/383488850.db2.gz GZIBWDOZRIARAQ-UHFFFAOYSA-N 1 0 267.716 2.508 40 0 CFABRO C[N@H+](Cc1cncs1)[C@H]1CCCN(c2ccccn2)C1 ZINC000257218946 383493478 /nfs/dbraw/zinc/49/34/78/383493478.db2.gz DEZCYOKARMGXDR-ZDUSSCGKSA-N 1 0 288.420 2.639 40 0 CFABRO Cc1cc2c[nH+]cn2c([C@H]2CCCCN2C(=O)C2CCC2)n1 ZINC000257237100 383493536 /nfs/dbraw/zinc/49/35/36/383493536.db2.gz HFECOXMDKDOUQZ-OAHLLOKOSA-N 1 0 298.390 2.891 40 0 CFABRO CNc1ncc(C[NH2+][C@@H](C)CCc2ccccc2)cn1 ZINC000062717489 256721710 /nfs/dbraw/zinc/72/17/10/256721710.db2.gz LPRRIKCOBUSTJS-ZDUSSCGKSA-N 1 0 270.380 2.629 40 0 CFABRO c1cnc(N2CCC3(C2)CC[NH+](CC2CCC2)CC3)nc1 ZINC000096157540 256813257 /nfs/dbraw/zinc/81/32/57/256813257.db2.gz IFTVHYWSIRPXSB-UHFFFAOYSA-N 1 0 286.423 2.569 40 0 CFABRO COc1ccc(C[C@H]2C[NH2+]CC[C@H]2OCC2CC2)cc1 ZINC000096206807 256824278 /nfs/dbraw/zinc/82/42/78/256824278.db2.gz IYBHNONYNBCVCZ-DOTOQJQBSA-N 1 0 275.392 2.642 40 0 CFABRO CC(C)CC[N@@H+]1CC[C@]2(C1)CCCN(c1nncs1)C2 ZINC000096217205 256825580 /nfs/dbraw/zinc/82/55/80/256825580.db2.gz HRAJGGCHBDRJMM-HNNXBMFYSA-N 1 0 294.468 2.877 40 0 CFABRO CC[N@@H+]1CC[C@]2(c3ccccc3)CCN(C(=O)C3CC3)C[C@H]12 ZINC000096251901 256834675 /nfs/dbraw/zinc/83/46/75/256834675.db2.gz PHBHBAPCLDGUFX-PKOBYXMFSA-N 1 0 298.430 2.661 40 0 CFABRO Brc1cccc(C[C@H]2CCC[NH2+]C2)c1 ZINC000057958093 393623302 /nfs/dbraw/zinc/62/33/02/393623302.db2.gz OQMGNSSAEYCFRL-LLVKDONJSA-N 1 0 254.171 2.991 40 0 CFABRO CSc1ncc(C[NH2+]CCc2ccc(F)cc2)cn1 ZINC000062717226 393627232 /nfs/dbraw/zinc/62/72/32/393627232.db2.gz BGBVOIYOUPFGGI-UHFFFAOYSA-N 1 0 277.368 2.670 40 0 CFABRO C[NH2+][C@H](c1ccccc1)[C@H](C)NC(=O)OC(C)(C)C ZINC000072207616 393642733 /nfs/dbraw/zinc/64/27/33/393642733.db2.gz HRJGSVRQCMDHNZ-AAEUAGOBSA-N 1 0 264.369 2.860 40 0 CFABRO CC[N@@H+]1CCCC[C@H]1c1cnc(N2CCOCC2)cc1C ZINC000072219417 393646045 /nfs/dbraw/zinc/64/60/45/393646045.db2.gz XTGIIOZBZFHPLY-INIZCTEOSA-N 1 0 289.423 2.774 40 0 CFABRO Cc1cc(N2CC[NH2+]CC2)ncc1SC(C)(C)C ZINC000072223589 393646438 /nfs/dbraw/zinc/64/64/38/393646438.db2.gz ACLSAJZMHCNSGR-UHFFFAOYSA-N 1 0 265.426 2.690 40 0 CFABRO Cc1[nH+]c(N(C)Cc2ccccc2)ccc1CCO ZINC000072224452 393647542 /nfs/dbraw/zinc/64/75/42/393647542.db2.gz IKFICQYKVXHHRA-UHFFFAOYSA-N 1 0 256.349 2.561 40 0 CFABRO Brc1ccc(COC2CC3(C[NH2+]C3)C2)cc1 ZINC000096509000 393834674 /nfs/dbraw/zinc/83/46/74/393834674.db2.gz DKOXYGDZDQJXLJ-UHFFFAOYSA-N 1 0 282.181 2.718 40 0 CFABRO Fc1ccc(N2CC[NH2+][C@@H]3CCCC[C@@H]32)c(F)c1 ZINC000225714179 393769148 /nfs/dbraw/zinc/76/91/48/393769148.db2.gz XYHXXKPSDNNGOA-OCCSQVGLSA-N 1 0 252.308 2.686 40 0 CFABRO c1ccc(-c2cc(N3CCC[NH2+]CC3)nc(C3CC3)n2)cc1 ZINC000096517013 393835738 /nfs/dbraw/zinc/83/57/38/393835738.db2.gz KVRVSHGKELREHA-UHFFFAOYSA-N 1 0 294.402 2.821 40 0 CFABRO C[C@@H]1CCCN([C@@H](C[NH3+])c2cncc(Br)c2)C1 ZINC000096511152 393836397 /nfs/dbraw/zinc/83/63/97/393836397.db2.gz IGLNQGPKWSTJQT-MFKMUULPSA-N 1 0 298.228 2.576 40 0 CFABRO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095097523 393811744 /nfs/dbraw/zinc/81/17/44/393811744.db2.gz SIVVZWMWICPALD-CHWSQXEVSA-N 1 0 268.401 2.728 40 0 CFABRO CC[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCCN(c1ccc(C)nn1)C2 ZINC000096217095 393817037 /nfs/dbraw/zinc/81/70/37/393817037.db2.gz OUSXKZPZYZMLOP-NVXWUHKLSA-N 1 0 288.439 2.876 40 0 CFABRO C[C@H]([C@@H]([NH3+])c1ccc(-c2ccccc2)cc1)S(C)(=O)=O ZINC000096524774 393838473 /nfs/dbraw/zinc/83/84/73/393838473.db2.gz HANFIRGTYIBHNI-MLGOLLRUSA-N 1 0 289.400 2.787 40 0 CFABRO O=C(Nc1ccc(F)cc1C(F)(F)F)C1CC[NH2+]CC1 ZINC000228940127 397625251 /nfs/dbraw/zinc/62/52/51/397625251.db2.gz SOJUKBVRBIQBMK-UHFFFAOYSA-N 1 0 290.260 2.783 40 0 CFABRO CCOc1cc(/C=C/c2cc[n+](C)cc2)ccc1O ZINC000005002258 170053164 /nfs/dbraw/zinc/05/31/64/170053164.db2.gz HDYYSPVTHDNBQP-UHFFFAOYSA-O 1 0 256.325 2.786 40 0 CFABRO COc1cc(OC)c(OC)cc1/C=C/c1cc[n+](C)cc1 ZINC000005002271 170053172 /nfs/dbraw/zinc/05/31/72/170053172.db2.gz WCHGIUNKJLPXEY-AATRIKPKSA-N 1 0 286.351 2.707 40 0 CFABRO COc1cc2c(cc1OC)[C@H](c1cc(C)ccc1N)[NH2+]CC2 ZINC000005337255 170086997 /nfs/dbraw/zinc/08/69/97/170086997.db2.gz HGOFUSCHJKPINM-GOSISDBHSA-N 1 0 298.386 2.830 40 0 CFABRO C[NH+](C)CCCn1c(=O)c2ccccc2n1-c1ccccc1 ZINC000005535365 170109887 /nfs/dbraw/zinc/10/98/87/170109887.db2.gz INPLGPAQBURVFD-UHFFFAOYSA-N 1 0 295.386 2.744 40 0 CFABRO C[C@@H](O)C[NH2+]Cc1ccc(OCc2cccs2)cc1 ZINC000005912739 170154226 /nfs/dbraw/zinc/15/42/26/170154226.db2.gz IUTFFYDPUPIMQP-GFCCVEGCSA-N 1 0 277.389 2.798 40 0 CFABRO C[NH+](C)[C@@H](Cc1ccccc1)c1ccc(OCCO)cc1 ZINC000006437233 170201549 /nfs/dbraw/zinc/20/15/49/170201549.db2.gz KSRYLTJAAQILRA-SFHVURJKSA-N 1 0 285.387 2.903 40 0 CFABRO Cc1ccc(C)c(NC(=S)NC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000009876146 170388146 /nfs/dbraw/zinc/38/81/46/170388146.db2.gz GDCFZJUDLBRQIH-CQSZACIVSA-N 1 0 291.464 2.932 40 0 CFABRO CC1(C)[C@H]2C[C@@H]1CC[C@]2(O)C[NH2+]Cc1ccccc1 ZINC000026897879 171502669 /nfs/dbraw/zinc/50/26/69/171502669.db2.gz AYJGCJVCDZDTSP-UXLLHSPISA-N 1 0 259.393 2.963 40 0 CFABRO CNc1ccc(-c2noc([C@@H]3CCC[N@@H+]3C(C)C)n2)cn1 ZINC000035426194 172193694 /nfs/dbraw/zinc/19/36/94/172193694.db2.gz NYGFXYSOEGZPPI-LBPRGKRZSA-N 1 0 287.367 2.719 40 0 biogenic,in-vitro CFABRO [NH3+][C@@H]1CCCN(Cc2cccc(Cl)c2Cl)C1 ZINC000038539544 174145271 /nfs/dbraw/zinc/14/52/71/174145271.db2.gz WWUJOOYAAKFGDX-SNVBAGLBSA-N 1 0 259.180 2.917 40 0 CFABRO CC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038832229 174157162 /nfs/dbraw/zinc/15/71/62/174157162.db2.gz KZLDTOGBBKPWKT-GDBMZVCRSA-N 1 0 274.408 2.813 40 0 CFABRO O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCCC1 ZINC000038832663 174157551 /nfs/dbraw/zinc/15/75/51/174157551.db2.gz YYSNZHMVXQDNNU-MRXNPFEDSA-N 1 0 272.392 2.521 40 0 CFABRO O=C(NCc1ccco1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038849015 174158404 /nfs/dbraw/zinc/15/84/04/174158404.db2.gz RMTPFTMJDLLYBO-INIZCTEOSA-N 1 0 298.386 2.808 40 0 CFABRO CC(C)(C)OC(=O)N1CC[NH2+][C@H](c2ccccc2)CC1 ZINC000040448893 174265358 /nfs/dbraw/zinc/26/53/58/174265358.db2.gz IIRVMCYNJGBVJV-AWEZNQCLSA-N 1 0 276.380 2.958 40 0 CFABRO [NH3+]CC1(Cc2ccccc2Br)CCOCC1 ZINC000061673932 175652866 /nfs/dbraw/zinc/65/28/66/175652866.db2.gz FZINUAGYFACOQG-UHFFFAOYSA-N 1 0 284.197 2.747 40 0 CFABRO Clc1ccc(CNC[C@@H]2CCC[NH2+]2)cc1Cl ZINC000072203617 176341537 /nfs/dbraw/zinc/34/15/37/176341537.db2.gz AXETWNRBRJMSOP-JTQLQIEISA-N 1 0 259.180 2.835 40 0 CFABRO Clc1ccc(CNC2CC[NH2+]CC2)c(Cl)c1 ZINC000072203585 176341593 /nfs/dbraw/zinc/34/15/93/176341593.db2.gz BLPFNVYGIFQDRV-UHFFFAOYSA-N 1 0 259.180 2.835 40 0 CFABRO Clc1cccc(OCCc2cc([C@H]3CC[NH2+]C3)[nH]n2)c1 ZINC000072344104 176372710 /nfs/dbraw/zinc/37/27/10/176372710.db2.gz KEOWHFISTJISJH-NSHDSACASA-N 1 0 291.782 2.762 40 0 CFABRO O=C1[C@H](C2CC[NH2+]CC2)CCCCN1Cc1ccccc1 ZINC000072353590 176374405 /nfs/dbraw/zinc/37/44/05/176374405.db2.gz OEIODIBLEAAOFZ-KRWDZBQOSA-N 1 0 286.419 2.815 40 0 CFABRO COc1cccc(-c2cncc([C@@H]3CCC[N@H+](C)C3)n2)c1 ZINC000072359276 176376703 /nfs/dbraw/zinc/37/67/03/176376703.db2.gz WWBODDUZVVHKJI-CQSZACIVSA-N 1 0 283.375 2.961 40 0 CFABRO CC[N@@H+]1CCC[C@@H](c2csc(Nc3cnccn3)n2)C1 ZINC000072363451 176378224 /nfs/dbraw/zinc/37/82/24/176378224.db2.gz HKDGTVXCPWRRDT-LLVKDONJSA-N 1 0 289.408 2.876 40 0 CFABRO c1ccc(CCNc2cccc(C[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000072366287 176381324 /nfs/dbraw/zinc/38/13/24/176381324.db2.gz YVOSQMJPYHTNDG-INIZCTEOSA-N 1 0 281.403 2.888 40 0 CFABRO c1cc(C[N@@H+]2CCC[C@@H](c3ccncc3)C2)ccn1 ZINC000072367930 176382545 /nfs/dbraw/zinc/38/25/45/176382545.db2.gz YIPRVTYOJGXJTI-MRXNPFEDSA-N 1 0 253.349 2.856 40 0 CFABRO Fc1ccc(Cc2cnc([C@@H]3CCC[NH2+]3)cn2)cc1 ZINC000072384569 176388740 /nfs/dbraw/zinc/38/87/40/176388740.db2.gz ZGHOLUBTWCCKQX-AWEZNQCLSA-N 1 0 257.312 2.631 40 0 CFABRO CC(C)C[N@@H+]1CCC[C@H]1c1nccnc1Nc1cnccn1 ZINC000072384602 176388850 /nfs/dbraw/zinc/38/88/50/176388850.db2.gz IZOCJYNFFHTEHL-ZDUSSCGKSA-N 1 0 298.394 2.803 40 0 CFABRO Cn1cc(C[N@@H+]2CC[C@H](c3cc[nH]n3)C2)c2ccccc21 ZINC000072386180 176390997 /nfs/dbraw/zinc/39/09/97/176390997.db2.gz CIZSPDJWRMJPGN-ZDUSSCGKSA-N 1 0 280.375 2.891 40 0 CFABRO COc1ccccc1-c1cnc([C@@H]2CCC[NH2+]C2)cn1 ZINC000072386780 176391994 /nfs/dbraw/zinc/39/19/94/176391994.db2.gz UUMAFFIZSZTOJU-GFCCVEGCSA-N 1 0 269.348 2.619 40 0 CFABRO C[N@@H+]1CCC[C@@H]1c1cccc(NCc2ccncc2)n1 ZINC000072386712 176392193 /nfs/dbraw/zinc/39/21/93/176392193.db2.gz IZIOCNRMGFPVNW-OAHLLOKOSA-N 1 0 268.364 2.855 40 0 CFABRO Cc1c[nH]nc1C1(C)CC[NH+](Cc2cccc(C)n2)CC1 ZINC000072388899 176394043 /nfs/dbraw/zinc/39/40/43/176394043.db2.gz CNEHCODAIXUFLQ-UHFFFAOYSA-N 1 0 284.407 2.975 40 0 CFABRO OCC[C@@H]1CCCC[N@@H+]1Cc1c[nH]nc1-c1cccs1 ZINC000072397791 176395516 /nfs/dbraw/zinc/39/55/16/176395516.db2.gz CXKCWLGIGPEHBS-ZDUSSCGKSA-N 1 0 291.420 2.875 40 0 CFABRO Cc1ccsc1C[NH2+]CCNc1nc(C)cc(C)n1 ZINC000062717896 262301841 /nfs/dbraw/zinc/30/18/41/262301841.db2.gz GFGJRPFZZYHOPU-UHFFFAOYSA-N 1 0 276.409 2.665 40 0 CFABRO CCCCOCCC[NH2+]Cc1cnc(NCCC)nc1 ZINC000062717716 262302423 /nfs/dbraw/zinc/30/24/23/262302423.db2.gz KWRHQCACIDEYGY-UHFFFAOYSA-N 1 0 280.416 2.595 40 0 CFABRO Cc1cccc2c1nc1n2[C@@H](C[NH2+]C2CCC2)COC1 ZINC000096112641 274801671 /nfs/dbraw/zinc/80/16/71/274801671.db2.gz LYYMVRIQIYPYBE-ZDUSSCGKSA-N 1 0 271.364 2.558 40 0 biogenic,in-vitro CFABRO CC(C)n1nccc1-c1nccnc1C[C@H]1CCC[N@H+](C)C1 ZINC000257204072 276091387 /nfs/dbraw/zinc/09/13/87/276091387.db2.gz ASYDSSLVDDROSS-CQSZACIVSA-N 1 0 299.422 2.805 40 0 CFABRO CC(C)N1c2ccc(F)cc2C2(CC[NH+](C)CC2)C1=O ZINC000105050093 277647103 /nfs/dbraw/zinc/64/71/03/277647103.db2.gz BUIIXAUICZUUDR-UHFFFAOYSA-N 1 0 276.355 2.544 40 0 CFABRO CC(C)(C)OC(=O)N1CCC(C[NH3+])(C(F)(F)F)CC1 ZINC000075629537 278381727 /nfs/dbraw/zinc/38/17/27/278381727.db2.gz HSQWWZOBVNXWTJ-UHFFFAOYSA-N 1 0 282.306 2.525 40 0 CFABRO CCN(C(=O)OC(C)(C)C)[C@H]1CC[C@H]([NH2+]C)CC1 ZINC000242548029 279004970 /nfs/dbraw/zinc/00/49/70/279004970.db2.gz KZLJSRHVNFIZQB-HAQNSBGRSA-N 1 0 256.390 2.774 40 0 CFABRO C[C@@]1(C[NH3+])CN(Cc2ccccc2)C[C@@H]1C(F)(F)F ZINC000228905090 279159125 /nfs/dbraw/zinc/15/91/25/279159125.db2.gz YRYXNWZNKHBXMA-QWHCGFSZSA-N 1 0 272.314 2.646 40 0 CFABRO CC(C)N(C[C@H]1CCCC[NH2+]1)C(=O)OC(C)(C)C ZINC000079437656 279456830 /nfs/dbraw/zinc/45/68/30/279456830.db2.gz GKIQLOHRVDIZMK-GFCCVEGCSA-N 1 0 256.390 2.774 40 0 CFABRO Cc1c(-c2ccc(Br)cc2)[nH+]c(N)n1C ZINC000199560587 280195440 /nfs/dbraw/zinc/19/54/40/280195440.db2.gz RKLPOKGCTSGCAM-UHFFFAOYSA-N 1 0 266.142 2.740 40 0 CFABRO CN(C)C(=O)c1sc2ccccc2c1[C@H]1CC[NH2+]C1 ZINC000257235035 282014867 /nfs/dbraw/zinc/01/48/67/282014867.db2.gz GWDZAGVYNXTPQS-JTQLQIEISA-N 1 0 274.389 2.680 40 0 CFABRO CC[C@]1(C)OC(=O)N(C2CC(C)(C)[NH2+]C(C)(C)C2)[C@]1(C)O ZINC000000036878 288473943 /nfs/dbraw/zinc/47/39/43/288473943.db2.gz MMHJMCRZTPXTHP-JKSUJKDBSA-N 1 0 298.427 2.625 40 0 CFABRO OCCC1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000400941921 290025099 /nfs/dbraw/zinc/02/50/99/290025099.db2.gz STQLYPYWUIFCIF-UHFFFAOYSA-N 1 0 259.802 2.996 40 0 CFABRO [NH3+]Cc1c(Br)cccc1Br ZINC000199464583 295276694 /nfs/dbraw/zinc/27/66/94/295276694.db2.gz NOIYICCREATUBZ-UHFFFAOYSA-N 1 0 264.948 2.670 40 0 CFABRO c1ccc(O[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)cc1 ZINC000031759376 304855120 /nfs/dbraw/zinc/85/51/20/304855120.db2.gz DVPJJTVPVSGTRA-HZPDHXFCSA-N 1 0 261.365 2.709 40 0 CFABRO Cc1cc(C)nc(NCC[NH2+]CC2CCCCC2)n1 ZINC000062717882 333176002 /nfs/dbraw/zinc/17/60/02/333176002.db2.gz ZKBOMKJJXUVSCT-UHFFFAOYSA-N 1 0 262.401 2.675 40 0 CFABRO c1cc(-c2cnc(OCC3CC[NH2+]CC3)nc2)cs1 ZINC000096675125 534464498 /nfs/dbraw/zinc/46/44/98/534464498.db2.gz SPFQNFXDBKYVRQ-UHFFFAOYSA-N 1 0 275.377 2.584 40 0 CFABRO CCOC(=O)c1ccc(C[NH+]2CCCCCC2)o1 ZINC000062718781 521473952 /nfs/dbraw/zinc/47/39/52/521473952.db2.gz NJTLPCQOBBNHGQ-UHFFFAOYSA-N 1 0 251.326 2.832 40 0 CFABRO C[C@]1(C(F)(F)F)C[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000228905272 525235032 /nfs/dbraw/zinc/23/50/32/525235032.db2.gz GDPKXXOYAFTTGT-OLZOCXBDSA-N 1 0 273.298 2.679 40 0 CFABRO [NH3+][C@H](CC1CCCCC1)C(=O)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000261746740 527383529 /nfs/dbraw/zinc/38/35/29/527383529.db2.gz SSNWCEZBVVDBRS-BRWVUGGUSA-N 1 0 286.419 2.956 40 0 CFABRO CC(C)C[C@@]1(C[NH3+])CCCN1C(=O)OC(C)(C)C ZINC000230570965 619166989 /nfs/dbraw/zinc/16/69/89/619166989.db2.gz YTQAXOJHSREFSY-CQSZACIVSA-N 1 0 256.390 2.761 40 0 CFABRO CC(C)[C@@H]([NH3+])c1nc(COc2ccc(Cl)cc2)n[nH]1 ZINC000095534701 185007411 /nfs/dbraw/zinc/00/74/11/185007411.db2.gz ZTOYTMGWVYRMMP-GFCCVEGCSA-N 1 0 280.759 2.693 40 0 CFABRO [NH3+][C@H](Cc1ccccc1)c1nc(COc2ccccc2)n[nH]1 ZINC000095534825 185008665 /nfs/dbraw/zinc/00/86/65/185008665.db2.gz JXUNOUMUESNONX-OAHLLOKOSA-N 1 0 294.358 2.626 40 0 CFABRO CN1c2ccccc2C(=O)N(CC[NH+](C)C)c2ccccc21 ZINC000000001275 282103907 /nfs/dbraw/zinc/10/39/07/282103907.db2.gz QPGGEKPRGVJKQB-UHFFFAOYSA-N 1 0 295.386 2.976 40 0 world CFABRO CCOC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1ccc(C)o1)C2 ZINC000096039326 185069465 /nfs/dbraw/zinc/06/94/65/185069465.db2.gz DEJDKHNIGFFHTQ-SJORKVTESA-N 1 0 293.407 2.996 40 0 CFABRO c1cc(C[N@H+]2CCC3(CN(Cc4ccncc4)C3)C2)cs1 ZINC000096046489 185071096 /nfs/dbraw/zinc/07/10/96/185071096.db2.gz CHSQVMPPRVUZLH-UHFFFAOYSA-N 1 0 299.443 2.851 40 0 CFABRO Cc1ccc(C[N@@H+]2CC[C@H]3C[C@H](c4ccncn4)O[C@@H]3C2)o1 ZINC000096046115 185071758 /nfs/dbraw/zinc/07/17/58/185071758.db2.gz COLWVRCYUMORJY-IAOVAPTHSA-N 1 0 299.374 2.730 40 0 CFABRO c1cc(C[NH+]2C[C@@H]3CN(Cc4cccnc4)C[C@H]3C2)cs1 ZINC000096053727 185074678 /nfs/dbraw/zinc/07/46/78/185074678.db2.gz ZKJRVYIHLDIHNC-IRXDYDNUSA-N 1 0 299.443 2.707 40 0 CFABRO CC(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)c1ccsc1 ZINC000096055783 185076072 /nfs/dbraw/zinc/07/60/72/185076072.db2.gz JXPIFEAGSLHOHE-UONOGXRCSA-N 1 0 278.421 2.693 40 0 CFABRO CC(=O)N1CCC[C@]2(CC[N@H+](Cc3ccsc3)C2)C1 ZINC000096071586 185087298 /nfs/dbraw/zinc/08/72/98/185087298.db2.gz UHZOXPMPGXAUKE-OAHLLOKOSA-N 1 0 278.421 2.583 40 0 CFABRO CC(C)[N@@H+]1C[C@@H](F)[C@@H](OCc2nc3cc(F)ccc3[nH]2)C1 ZINC000096112230 185101116 /nfs/dbraw/zinc/10/11/16/185101116.db2.gz ZOTYBZXFKSMEQT-RISCZKNCSA-N 1 0 295.333 2.649 40 0 biogenic,in-vitro CFABRO CC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038832232 346340019 /nfs/dbraw/zinc/34/00/19/346340019.db2.gz KZLDTOGBBKPWKT-HOCLYGCPSA-N 1 0 274.408 2.813 40 0 CFABRO Nc1ccccc1OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000039314951 346343450 /nfs/dbraw/zinc/34/34/50/346343450.db2.gz ARBZNWSAHIHYFO-DZGCQCFKSA-N 1 0 260.381 2.912 40 0 CFABRO Cc1cccc(CN2CC[NH2+]C[C@H]2c2ccccc2)n1 ZINC000086177653 179247208 /nfs/dbraw/zinc/24/72/08/179247208.db2.gz MBGLJBSUOJALGA-KRWDZBQOSA-N 1 0 267.376 2.537 40 0 CFABRO C[C@H]1CCCN([C@H](C[NH3+])c2cc(F)ccc2F)C1 ZINC000108350014 347740486 /nfs/dbraw/zinc/74/04/86/347740486.db2.gz IVLWCLGNKWTENP-IINYFYTJSA-N 1 0 254.324 2.697 40 0 CFABRO COc1ccc([C@@H]2C[NH2+][C@@H]3CCCC[C@H]32)cc1OC ZINC000144542812 347941543 /nfs/dbraw/zinc/94/15/43/347941543.db2.gz OPRYKPBAEBDSPG-MELADBBJSA-N 1 0 261.365 2.949 40 0 CFABRO COc1ccc([C@@H](C)N2CC[NH2+][C@@H]3CCCC[C@@H]32)cc1 ZINC000225714977 348179337 /nfs/dbraw/zinc/17/93/37/348179337.db2.gz KUSCMGFHXLDZSL-XYPHTWIQSA-N 1 0 274.408 2.973 40 0 CFABRO Brc1cccc([C@@H]2C[NH2+]CC23CC3)c1 ZINC000409429490 348601522 /nfs/dbraw/zinc/60/15/22/348601522.db2.gz CMCPTESSTDEQQU-NSHDSACASA-N 1 0 252.155 2.916 40 0 CFABRO CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCCO1 ZINC000409439044 348602557 /nfs/dbraw/zinc/60/25/57/348602557.db2.gz GADIDLUFQJHZAH-HZSPNIEDSA-N 1 0 298.427 2.591 40 0 CFABRO c1csc([C@H](C2CCSCC2)N2CC[NH2+]CC2)c1 ZINC000409439424 348602637 /nfs/dbraw/zinc/60/26/37/348602637.db2.gz HGXBKOLPSSEEHP-AWEZNQCLSA-N 1 0 282.478 2.838 40 0 CFABRO CO[C@H]1CCC[N@H+](Cc2cnc[nH]2)[C@H]1Cc1ccccc1 ZINC000585273959 348738612 /nfs/dbraw/zinc/73/86/12/348738612.db2.gz GZBMLQCBNVJKOF-IRXDYDNUSA-N 1 0 285.391 2.632 40 0 CFABRO FC(F)(F)c1ccc2c(c1)C1(CO2)CC[NH2+]CC1 ZINC000255190584 282922563 /nfs/dbraw/zinc/92/25/63/282922563.db2.gz YECJMGCJBSREKH-UHFFFAOYSA-N 1 0 257.255 2.719 40 0 CFABRO [NH3+]C1CCC(Oc2ncccc2C(F)(F)F)CC1 ZINC000055143632 283413976 /nfs/dbraw/zinc/41/39/76/283413976.db2.gz MWAYOKSFXIIINO-UHFFFAOYSA-N 1 0 260.259 2.749 40 0 CFABRO O=C(C[C@H]1CC2(CC[NH2+]CC2)c2ccccc21)NC1CCC1 ZINC000306129982 540733334 /nfs/dbraw/zinc/73/33/34/540733334.db2.gz ITEYSZLKZREURQ-AWEZNQCLSA-N 1 0 298.430 2.854 40 0 CFABRO c1cc2cc(-c3noc(C4CC[NH2+]CC4)n3)ccc2[nH]1 ZINC000199793294 189683951 /nfs/dbraw/zinc/68/39/51/189683951.db2.gz UWRYYZHNEQJZKM-UHFFFAOYSA-N 1 0 268.320 2.685 40 0 CFABRO C[NH+](C)C[C@@H]1CCCC[C@@H]1OC(=O)c1ccccc1 ZINC000000392591 371603788 /nfs/dbraw/zinc/60/37/88/371603788.db2.gz OYIQBJVQPZHJHK-GJZGRUSLSA-N 1 0 261.365 2.964 40 0 CFABRO CC(C)OC[C@H](O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000001469613 371677277 /nfs/dbraw/zinc/67/72/77/371677277.db2.gz CQIWIJNJSIRDAF-GOSISDBHSA-N 1 0 291.435 2.727 40 0 CFABRO O=C(O[C@H]1CC[NH2+][C@@H]2CCCC[C@@H]21)c1ccccc1 ZINC000001233189 371662084 /nfs/dbraw/zinc/66/20/84/371662084.db2.gz MHURPUBOKOVYBH-ZNMIVQPWSA-N 1 0 259.349 2.764 40 0 CFABRO C[NH+](C)CC[C@H](C(=O)c1ccccc1)c1cccnc1 ZINC000002045643 371715168 /nfs/dbraw/zinc/71/51/68/371715168.db2.gz RGMASGQPVAQRAK-INIZCTEOSA-N 1 0 268.360 3.000 40 0 CFABRO Cc1cc2c(o1)c(C)c1oc(=O)cc(C)c1c2C[NH3+] ZINC000002504753 371730301 /nfs/dbraw/zinc/73/03/01/371730301.db2.gz CGIYGWZLJSISDE-UHFFFAOYSA-N 1 0 257.289 2.923 40 0 CFABRO CC(C)C(=O)NCCCCCC[NH+]1CCCCC1 ZINC000001646512 371692358 /nfs/dbraw/zinc/69/23/58/371692358.db2.gz SXEPAZGFIJAEBI-UHFFFAOYSA-N 1 0 254.418 2.805 40 0 CFABRO COCC[NH2+][C@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000001667129 371693441 /nfs/dbraw/zinc/69/34/41/371693441.db2.gz ACUVMRHAWWNSHA-SJORKVTESA-N 1 0 271.360 2.697 40 0 CFABRO CC[NH2+][C@@H](Cc1ccc(O)cc1)c1ccc(O)cc1 ZINC000001665859 371693463 /nfs/dbraw/zinc/69/34/63/371693463.db2.gz GVXQFJDPZQPWNR-INIZCTEOSA-N 1 0 257.333 2.991 40 0 CFABRO O[C@H](C[n+]1ccc2ccccc2c1)c1ccccc1 ZINC000001666271 371694343 /nfs/dbraw/zinc/69/43/43/371694343.db2.gz XPQOFPYAHANAEL-QGZVFWFLSA-N 1 0 250.321 2.861 40 0 CFABRO CCOP(=O)(Cc1ccc(C[NH3+])cc1)OCC ZINC000001681049 371696532 /nfs/dbraw/zinc/69/65/32/371696532.db2.gz XPOIKMLBIZHKSL-UHFFFAOYSA-N 1 0 257.270 2.911 40 0 CFABRO CC[C@@H](OC[C@@H](O)C[NH+]1CCCC1)c1ccccc1 ZINC000002694619 371746605 /nfs/dbraw/zinc/74/66/05/371746605.db2.gz NMHSHAPLNHLFCO-JKSUJKDBSA-N 1 0 263.381 2.611 40 0 CFABRO Cc1cccc(OC[C@@H](O)C[NH+]2[C@@H](C)CCC[C@@H]2C)c1 ZINC000004276571 371845313 /nfs/dbraw/zinc/84/53/13/371845313.db2.gz SSKLSJSAMGIPNT-JYJNAYRXSA-N 1 0 277.408 2.998 40 0 CFABRO O=C(c1ccc(Br)cc1)[C@@H]1CCC[NH2+]C1 ZINC000011630739 371922872 /nfs/dbraw/zinc/92/28/72/371922872.db2.gz YNYIOASGWYJBKT-SNVBAGLBSA-N 1 0 268.154 2.631 40 0 CFABRO Cc1ccc(S[C@H](C)C(=O)NCCC[NH+](C)C)cc1 ZINC000013648015 372037941 /nfs/dbraw/zinc/03/79/41/372037941.db2.gz IFTFDMKMBQYWHP-CYBMUJFWSA-N 1 0 280.437 2.544 40 0 CFABRO Cc1ccc(SCC(=O)NCCC[NH+]2CCCC2)cc1 ZINC000013670686 372040095 /nfs/dbraw/zinc/04/00/95/372040095.db2.gz DCRMFCPJMQXKLC-UHFFFAOYSA-N 1 0 292.448 2.689 40 0 CFABRO C[NH+]1CCC(NC(=S)Nc2cccc(Cl)c2)CC1 ZINC000013775535 372049800 /nfs/dbraw/zinc/04/98/00/372049800.db2.gz RWAJWHDWDVQOFH-UHFFFAOYSA-N 1 0 283.828 2.721 40 0 CFABRO O=c1[nH]c2ccccc2cc1C[NH2+]Cc1cccc(F)c1 ZINC000013998879 372056688 /nfs/dbraw/zinc/05/66/88/372056688.db2.gz GHLDPZHOVCRUNU-UHFFFAOYSA-N 1 0 282.318 2.957 40 0 CFABRO [NH3+]Cc1ccc(NC(=O)c2ccc(F)c(F)c2)cc1 ZINC000019406636 372159918 /nfs/dbraw/zinc/15/99/18/372159918.db2.gz QDCVUPIVULFSBN-UHFFFAOYSA-N 1 0 262.259 2.676 40 0 CFABRO COc1ccc(/C=C/CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000019575676 372175656 /nfs/dbraw/zinc/17/56/56/372175656.db2.gz XKPYGZIQFOIGTK-JRKQMZJPSA-N 1 0 286.419 2.877 40 0 CFABRO CC(C)(C)OC(=O)NC[C@@H]([NH3+])c1ccccc1Cl ZINC000019796132 372189795 /nfs/dbraw/zinc/18/97/95/372189795.db2.gz FXBQVCOUHWUKDC-LLVKDONJSA-N 1 0 270.760 2.865 40 0 CFABRO Cc1cc(C)c(C)c(OC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000026780539 372329549 /nfs/dbraw/zinc/32/95/49/372329549.db2.gz VHKKUCOTMUSOHW-INIZCTEOSA-N 1 0 277.408 2.837 40 0 CFABRO C[NH+](C)Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000027987011 372354891 /nfs/dbraw/zinc/35/48/91/372354891.db2.gz NXPZFVIQSJBNPW-UHFFFAOYSA-N 1 0 278.359 2.996 40 0 CFABRO c1ccc(O[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)cc1 ZINC000031759372 372417762 /nfs/dbraw/zinc/41/77/62/372417762.db2.gz DVPJJTVPVSGTRA-HOTGVXAUSA-N 1 0 261.365 2.709 40 0 CFABRO Cc1cccc(C)c1OC[C@@H](O)C[NH2+]C1CCCC1 ZINC000032113127 372429477 /nfs/dbraw/zinc/42/94/77/372429477.db2.gz JPSUEUFSIDUFGZ-HNNXBMFYSA-N 1 0 263.381 2.575 40 0 CFABRO C[NH2+]C1CCN(c2cccc(Br)c2)CC1 ZINC000037483315 372664243 /nfs/dbraw/zinc/66/42/43/372664243.db2.gz JERVZCCTEDZSJX-UHFFFAOYSA-N 1 0 269.186 2.637 40 0 CFABRO [NH3+][C@@H](Cc1ccccc1)c1nnc(-c2ccccc2)[nH]1 ZINC000042013480 372870043 /nfs/dbraw/zinc/87/00/43/372870043.db2.gz XRHLBWHTBQIMOC-AWEZNQCLSA-N 1 0 264.332 2.714 40 0 CFABRO CC(C)(C)OC(=O)N[C@H]1CC[C@@H]([NH2+]C2CCC2)CC1 ZINC000238192371 189900198 /nfs/dbraw/zinc/90/01/98/189900198.db2.gz IYELSBCLVPTISK-JOCQHMNTSA-N 1 0 268.401 2.964 40 0 CFABRO COc1ccccc1C[NH2+]CCC(=O)OC(C)(C)C ZINC000047218989 373083706 /nfs/dbraw/zinc/08/37/06/373083706.db2.gz LRCBELUGNMGXAP-UHFFFAOYSA-N 1 0 265.353 2.517 40 0 CFABRO CC(C)(C)c1nnc([C@H]2CC[N@H+](Cc3ccco3)C2)o1 ZINC000049170634 373274415 /nfs/dbraw/zinc/27/44/15/373274415.db2.gz JRAHKLFGADAOHA-NSHDSACASA-N 1 0 275.352 2.950 40 0 biogenic,in-vitro CFABRO [NH3+]Cc1ccc(NC(=O)c2cccc(F)c2F)cc1 ZINC000054187389 373504966 /nfs/dbraw/zinc/50/49/66/373504966.db2.gz YIRCECJCKIUYCT-UHFFFAOYSA-N 1 0 262.259 2.676 40 0 CFABRO [NH3+]C1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 ZINC000055143379 373542208 /nfs/dbraw/zinc/54/22/08/373542208.db2.gz PSKDPLYVBXKMIY-UHFFFAOYSA-N 1 0 260.259 2.749 40 0 CFABRO Cc1cc(N2CC[NH2+]CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000058047092 373624957 /nfs/dbraw/zinc/62/49/57/373624957.db2.gz GNWMNECXJWBYKV-UHFFFAOYSA-N 1 0 288.782 2.515 40 0 CFABRO CC[C@@H](C)Oc1ccccc1C[NH2+]CCCOC ZINC000066116244 373912271 /nfs/dbraw/zinc/91/22/71/373912271.db2.gz JYGPZPKUTKBRIE-CYBMUJFWSA-N 1 0 251.370 2.990 40 0 CFABRO Cc1ccc(NC(=O)C2CC[NH+](C)CC2)cc1Cl ZINC000074713354 374435094 /nfs/dbraw/zinc/43/50/94/374435094.db2.gz HLQAZBBVXFSRSF-UHFFFAOYSA-N 1 0 266.772 2.929 40 0 CFABRO CC(C)[C@H]([NH3+])C(=O)N(Cc1cnc(Cl)s1)C(C)C ZINC000079422136 374609925 /nfs/dbraw/zinc/60/99/25/374609925.db2.gz SXFGUVMCILWOPT-JTQLQIEISA-N 1 0 289.832 2.517 40 0 CFABRO CCN(Cc1c(Cl)cccc1Cl)C(=O)[C@H](C)[NH3+] ZINC000079420277 374610435 /nfs/dbraw/zinc/61/04/35/374610435.db2.gz VSPPSOORWBJDNX-QMMMGPOBSA-N 1 0 275.179 2.689 40 0 CFABRO C[NH2+][C@@H]1CCCC[C@H]1N(C)C(=O)OCc1ccccc1 ZINC000079437763 374612086 /nfs/dbraw/zinc/61/20/86/374612086.db2.gz ZYRONJPZIAYFBW-HUUCEWRRSA-N 1 0 276.380 2.786 40 0 CFABRO C[NH+]1CCC2(CNc3ccc(Br)cc32)CC1 ZINC000084806014 374789706 /nfs/dbraw/zinc/78/97/06/374789706.db2.gz RTZZHLPMPIGRBI-UHFFFAOYSA-N 1 0 281.197 2.838 40 0 CFABRO CN1C(=O)CCC[C@@]12CCC[N@H+](Cc1ccsc1)C2 ZINC000096049953 375469004 /nfs/dbraw/zinc/46/90/04/375469004.db2.gz BWZPCOZMITYSTL-HNNXBMFYSA-N 1 0 278.421 2.725 40 0 CFABRO CCO[C@H]1COC2(C1)CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000096158725 375471845 /nfs/dbraw/zinc/47/18/45/375471845.db2.gz OEACUCNNOQVEQP-MRXNPFEDSA-N 1 0 293.382 2.986 40 0 CFABRO c1cncc(CN2C[C@@H]3C[N@H+](CC4CCCC4)C[C@@H]3C2)c1 ZINC000096161507 375472195 /nfs/dbraw/zinc/47/21/95/375472195.db2.gz LKNXQVYVQFAHNL-HDICACEKSA-N 1 0 285.435 2.635 40 0 CFABRO Cc1cccc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2ccccn2)n1 ZINC000096184719 375475339 /nfs/dbraw/zinc/47/53/39/375475339.db2.gz VGMMNRHFPGMNPO-SJORKVTESA-N 1 0 294.402 2.638 40 0 CFABRO COC[C@H]1CCC2(CCN(Cc3ccsc3)CC2)[N@@H+]1C ZINC000096207876 375476812 /nfs/dbraw/zinc/47/68/12/375476812.db2.gz VLXQNCBPJRWXHV-OAHLLOKOSA-N 1 0 294.464 2.823 40 0 CFABRO CCO[C@@H]1CC[N@H+](Cc2ccco2)[C@@H]1Cc1cccnc1 ZINC000096200494 375476891 /nfs/dbraw/zinc/47/68/91/375476891.db2.gz VTDHNGUOAVFLLP-IAGOWNOFSA-N 1 0 286.375 2.897 40 0 CFABRO CCOC[C@H]1CCC2(CCN(Cc3ccco3)CC2)[N@@H+]1C ZINC000096209498 375477946 /nfs/dbraw/zinc/47/79/46/375477946.db2.gz KHWUZVCPBWUCPN-OAHLLOKOSA-N 1 0 292.423 2.745 40 0 CFABRO c1c[nH]c(C[N@H+]2C[C@H]3OC[C@@H](COc4ccccc4)[C@H]3C2)c1 ZINC000096216844 375479322 /nfs/dbraw/zinc/47/93/22/375479322.db2.gz HGTKAPXAXUXIRW-ZTFGCOKTSA-N 1 0 298.386 2.541 40 0 CFABRO COCC[C@@H]1CO[C@@]2(CC[N@H+](CCc3ccccc3)C2)C1 ZINC000096218263 375479626 /nfs/dbraw/zinc/47/96/26/375479626.db2.gz CJGSUPVBJMPBTM-ROUUACIJSA-N 1 0 289.419 2.747 40 0 CFABRO [NH3+][C@@H](CNC(=O)OCc1ccccc1)C1CCCCC1 ZINC000096295491 375483698 /nfs/dbraw/zinc/48/36/98/375483698.db2.gz LGKNTKNXIZXBMR-HNNXBMFYSA-N 1 0 276.380 2.820 40 0 CFABRO [NH3+]C1CCN(c2cc(-c3ccccc3)nc(C3CC3)n2)CC1 ZINC000096516963 375489089 /nfs/dbraw/zinc/48/90/89/375489089.db2.gz XTGWZKLECAVLAV-UHFFFAOYSA-N 1 0 294.402 2.949 40 0 CFABRO OC[C@H]1CCC[C@@H]1[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000097233896 375543493 /nfs/dbraw/zinc/54/34/93/375543493.db2.gz BNFVVQYIFPBQFA-RYRKJORJSA-N 1 0 282.387 2.922 40 0 CFABRO Cc1nn(C2CCCC2)cc1C[NH2+]C[C@H]1CCCO1 ZINC000256053432 190004928 /nfs/dbraw/zinc/00/49/28/190004928.db2.gz RLWNMCHMUJZYQR-OAHLLOKOSA-N 1 0 263.385 2.575 40 0 CFABRO CCOc1ccc(C[NH2+]Cc2cnn(CC)c2)cc1 ZINC000256049815 190002830 /nfs/dbraw/zinc/00/28/30/190002830.db2.gz BNXPIMDTWNLZOH-UHFFFAOYSA-N 1 0 259.353 2.592 40 0 CFABRO COc1cccc(CC[NH2+]Cc2ccnn2C(C)C)c1 ZINC000256050241 190003084 /nfs/dbraw/zinc/00/30/84/190003084.db2.gz DGUGRDNLNSZIQI-UHFFFAOYSA-N 1 0 273.380 2.805 40 0 CFABRO CCCn1nc(C)cc1C[NH2+]Cc1ccc(OC)cc1 ZINC000256053107 190004181 /nfs/dbraw/zinc/00/41/81/190004181.db2.gz QBJDIQRGHIBYFS-UHFFFAOYSA-N 1 0 273.380 2.900 40 0 CFABRO CC(C)Cn1cc(C[NH2+]Cc2cccc(O)c2)cn1 ZINC000256052657 190004269 /nfs/dbraw/zinc/00/42/69/190004269.db2.gz OEHZNBMLNWTKQQ-UHFFFAOYSA-N 1 0 259.353 2.535 40 0 CFABRO C[N@@H+]1CCC[C@H](Cc2cnc(Br)cn2)CC1 ZINC000257197804 190010036 /nfs/dbraw/zinc/01/00/36/190010036.db2.gz JSEFSYNKRKUMOA-JTQLQIEISA-N 1 0 284.201 2.514 40 0 CFABRO Cc1c(C[NH2+]Cc2ccnn2C(C)C)cnn1C(C)C ZINC000256054438 190005781 /nfs/dbraw/zinc/00/57/81/190005781.db2.gz WGMLDFCDLMNPBX-UHFFFAOYSA-N 1 0 275.400 2.840 40 0 CFABRO COc1ccccc1Oc1nccnc1C1CC[NH2+]CC1 ZINC000257197790 190010179 /nfs/dbraw/zinc/01/01/79/190010179.db2.gz JHNOKDYMKWWNLZ-UHFFFAOYSA-N 1 0 285.347 2.745 40 0 CFABRO c1ccc(Nc2cc([C@@H]3CCC[NH2+]C3)ccn2)nc1 ZINC000257205152 190011317 /nfs/dbraw/zinc/01/13/17/190011317.db2.gz AXWJKFSHUAVAKT-CYBMUJFWSA-N 1 0 254.337 2.687 40 0 CFABRO CC(C)[N@@H+]1CCC[C@H](Cc2cnc(-c3cn[nH]c3)cn2)C1 ZINC000257204892 190011540 /nfs/dbraw/zinc/01/15/40/190011540.db2.gz AWTFZRHABVVENI-CYBMUJFWSA-N 1 0 285.395 2.530 40 0 CFABRO Cc1cc(C[N@@H+]2CCC[C@H](Cc3cccnc3)C2)no1 ZINC000257209314 190012263 /nfs/dbraw/zinc/01/22/63/190012263.db2.gz BPWOAZWOCWXQRU-OAHLLOKOSA-N 1 0 271.364 2.833 40 0 CFABRO c1csc(C[N@H+]2CCC[C@@H](Cc3cccnc3)C2)n1 ZINC000257224786 190015647 /nfs/dbraw/zinc/01/56/47/190015647.db2.gz FDIMCQYNZUPDST-AWEZNQCLSA-N 1 0 273.405 2.993 40 0 CFABRO CCCn1nccc1-c1nccnc1C[C@H]1CCC[N@H+](C)C1 ZINC000257270094 190023842 /nfs/dbraw/zinc/02/38/42/190023842.db2.gz MSSUNTYCABWKFC-CQSZACIVSA-N 1 0 299.422 2.634 40 0 CFABRO CCCn1cc(C[N@@H+]2CCC[C@@H](c3nc(C)c[nH]3)C2)cn1 ZINC000257269243 190023958 /nfs/dbraw/zinc/02/39/58/190023958.db2.gz MPEJTEHDYTZTTI-OAHLLOKOSA-N 1 0 287.411 2.704 40 0 CFABRO CC1(c2nccs2)CC[NH+](CC2CCOCC2)CC1 ZINC000257272413 190024094 /nfs/dbraw/zinc/02/40/94/190024094.db2.gz NCIAAMAZLQPSGE-UHFFFAOYSA-N 1 0 280.437 2.923 40 0 CFABRO Cc1c(C[NH+]2CCC(Cc3ccncc3)CC2)cnn1C ZINC000257277002 190025796 /nfs/dbraw/zinc/02/57/96/190025796.db2.gz NWAXRIJJKIAYEV-UHFFFAOYSA-N 1 0 284.407 2.578 40 0 CFABRO c1cc(CC2CC[NH+](Cc3ccncc3)CC2)ccn1 ZINC000257282731 190025915 /nfs/dbraw/zinc/02/59/15/190025915.db2.gz OVAZDFXMSFOETE-UHFFFAOYSA-N 1 0 267.376 2.931 40 0 CFABRO Cc1cccnc1Nc1cc([C@H]2CCC[NH2+]2)ccn1 ZINC000257284224 190026276 /nfs/dbraw/zinc/02/62/76/190026276.db2.gz PBUJJDDKOOELBU-CYBMUJFWSA-N 1 0 254.337 2.953 40 0 CFABRO Cc1cc(C)nc([C@@H]2CC[N@@H+](Cc3ccnn3C(C)C)C2)n1 ZINC000257292936 190027657 /nfs/dbraw/zinc/02/76/57/190027657.db2.gz QNNKBLASCYCQRC-OAHLLOKOSA-N 1 0 299.422 2.860 40 0 CFABRO CC(C)[NH+]1CCC(c2cncc(Nc3ncccn3)n2)CC1 ZINC000257292191 190027549 /nfs/dbraw/zinc/02/75/49/190027549.db2.gz QKKQBLQJJHPDGH-UHFFFAOYSA-N 1 0 298.394 2.598 40 0 CFABRO Cc1cnccc1C[N@H+]1CCC[C@@H](c2ccnc(C)n2)C1 ZINC000257273947 190024488 /nfs/dbraw/zinc/02/44/88/190024488.db2.gz NIXFBXGDHQRELT-MRXNPFEDSA-N 1 0 282.391 2.868 40 0 CFABRO CCCn1nccc1-c1cc([C@@H]2CCC[NH2+]2)ccn1 ZINC000257296575 190028106 /nfs/dbraw/zinc/02/81/06/190028106.db2.gz RDJOZTFRVDDQLN-ZDUSSCGKSA-N 1 0 256.353 2.780 40 0 CFABRO CC(C)[N@@H+]1CCC[C@H](Cc2nccnc2-c2ccnn2C)C1 ZINC000257293691 190028620 /nfs/dbraw/zinc/02/86/20/190028620.db2.gz QQSSCJWYLBUGAC-CQSZACIVSA-N 1 0 299.422 2.540 40 0 CFABRO CN(C)c1cc([C@H]2CCC[N@@H+](C3CCOCC3)C2)ccn1 ZINC000257303152 190030651 /nfs/dbraw/zinc/03/06/51/190030651.db2.gz SFZSXYACMQQLHE-HNNXBMFYSA-N 1 0 289.423 2.506 40 0 CFABRO c1[nH]nc2nc([C@H]3CCC[N@@H+](Cc4ccccn4)C3)ccc12 ZINC000257302153 190030727 /nfs/dbraw/zinc/03/07/27/190030727.db2.gz SBSQGFXSLMGQPF-AWEZNQCLSA-N 1 0 293.374 2.733 40 0 CFABRO Cc1c[nH]c([C@H]2CCC[N@H+](Cc3cccc(C)n3)C2)n1 ZINC000257309648 190031139 /nfs/dbraw/zinc/03/11/39/190031139.db2.gz UBUSZNLIZONGIQ-AWEZNQCLSA-N 1 0 270.380 2.801 40 0 CFABRO Cc1cccnc1C(=O)N1CCC[C@]2(C)[NH2+]CCCC[C@H]12 ZINC000257316582 190032756 /nfs/dbraw/zinc/03/27/56/190032756.db2.gz VGEJNCSXKQUYFS-YOEHRIQHSA-N 1 0 287.407 2.527 40 0 CFABRO COc1ccccc1[C@H]1C[NH2+]CCN1Cc1cccc(C)n1 ZINC000257317791 190032810 /nfs/dbraw/zinc/03/28/10/190032810.db2.gz VLDOAPHCNDVCFO-QGZVFWFLSA-N 1 0 297.402 2.545 40 0 CFABRO Cc1cc(-c2nccnc2[C@H]2CCC[N@@H+](C(C)C)C2)n[nH]1 ZINC000257319334 190033629 /nfs/dbraw/zinc/03/36/29/190033629.db2.gz VRXYLUFQQRUVGN-ZDUSSCGKSA-N 1 0 285.395 2.763 40 0 CFABRO Cc1csc(Nc2cc([C@@H]3CC[N@@H+](C)C3)nc(C)n2)n1 ZINC000257326999 190034824 /nfs/dbraw/zinc/03/48/24/190034824.db2.gz WZLCPOKGAFQFCV-LLVKDONJSA-N 1 0 289.408 2.713 40 0 CFABRO CCn1cc(C[N@@H+]2CCC[C@@H]2c2ccnc(NC)c2)c(C)n1 ZINC000257336801 190036319 /nfs/dbraw/zinc/03/63/19/190036319.db2.gz YQCFSBWOVXKHEV-MRXNPFEDSA-N 1 0 299.422 2.985 40 0 CFABRO COCCC[NH2+]Cc1cccn1-c1ccc(OC)cc1 ZINC000113704176 376027069 /nfs/dbraw/zinc/02/70/69/376027069.db2.gz RXEKNEDYIRDGQB-UHFFFAOYSA-N 1 0 274.364 2.612 40 0 CFABRO CNc1cc(N2CCc3ccccc3C2)nc(C2CC2)[nH+]1 ZINC000163174410 378957609 /nfs/dbraw/zinc/95/76/09/378957609.db2.gz GXZHMACXEQKPBF-UHFFFAOYSA-N 1 0 280.375 2.958 40 0 CFABRO c1cn(CC2CC2)c([C@@H]2C[NH2+]Cc3ccccc32)n1 ZINC000306130307 382452892 /nfs/dbraw/zinc/45/28/92/382452892.db2.gz JCAPAOAZKSWGMY-OAHLLOKOSA-N 1 0 253.349 2.528 40 0 CFABRO C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000306145344 382453343 /nfs/dbraw/zinc/45/33/43/382453343.db2.gz CDNDQGCEQFEPRJ-CNDDSTCGSA-N 1 0 254.374 2.526 40 0 CFABRO Cc1noc(C)c1CN1CC[C@@H]2[C@@H]1CC[N@H+]2CC(C)C ZINC000306139392 382453356 /nfs/dbraw/zinc/45/33/56/382453356.db2.gz SWBJLSRZBJILMZ-CVEARBPZSA-N 1 0 277.412 2.596 40 0 CFABRO C1CC(c2nc([C@H]3CCCSCC3)no2)CC[NH2+]1 ZINC000575415061 382770208 /nfs/dbraw/zinc/77/02/08/382770208.db2.gz NIILIYSKDYTPMS-JTQLQIEISA-N 1 0 267.398 2.537 40 0 CFABRO O=C(OCc1ccccc1)N1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC000224679402 382811817 /nfs/dbraw/zinc/81/18/17/382811817.db2.gz CRZQOAJRKFXVGE-QGZVFWFLSA-N 1 0 288.391 2.789 40 0 CFABRO CC(C)Oc1cccc(NC(=S)NCCC[NH+](C)C)c1 ZINC000225403038 382815300 /nfs/dbraw/zinc/81/53/00/382815300.db2.gz XQNDDHSUYLASED-UHFFFAOYSA-N 1 0 295.452 2.712 40 0 CFABRO C[NH+](C)CCCOc1ccc(NC(=O)C(F)(F)F)cc1 ZINC000225587005 382818360 /nfs/dbraw/zinc/81/83/60/382818360.db2.gz KVPPVUVJPONJKW-UHFFFAOYSA-N 1 0 290.285 2.518 40 0 CFABRO CCC(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000225659238 382819724 /nfs/dbraw/zinc/81/97/24/382819724.db2.gz VMUBTCJZMDURSJ-UHFFFAOYSA-N 1 0 262.353 2.508 40 0 CFABRO CC[n+]1cccc(-c2nc3cc(N)cc(C)c3o2)c1 ZINC000226778116 382831775 /nfs/dbraw/zinc/83/17/75/382831775.db2.gz GHGKXRVWEJOTJZ-UHFFFAOYSA-N 1 0 254.313 2.693 40 0 CFABRO CC(C)[NH2+][C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1 ZINC000238156729 382979106 /nfs/dbraw/zinc/97/91/06/382979106.db2.gz DGOMFIXMWCIEBX-HAQNSBGRSA-N 1 0 256.390 2.820 40 0 CFABRO Cc1ccccc1CN1CC2(C1)OCC[C@H]2CC[NH+](C)C ZINC000248131928 383212502 /nfs/dbraw/zinc/21/25/02/383212502.db2.gz QQMGMGQASWJZJW-QGZVFWFLSA-N 1 0 288.435 2.538 40 0 CFABRO c1ccc(O[C@H]2CCOC3(C[NH+](C4CCCC4)C3)C2)nc1 ZINC000253596923 383464337 /nfs/dbraw/zinc/46/43/37/383464337.db2.gz YAZHNDLLSFTESA-HNNXBMFYSA-N 1 0 288.391 2.636 40 0 CFABRO [NH3+]C[C@H](Cc1nc2ccccc2s1)C(F)(F)F ZINC000256052624 383488953 /nfs/dbraw/zinc/48/89/53/383488953.db2.gz OBUXHTWCYXTCLM-ZETCQYMHSA-N 1 0 260.284 2.976 40 0 CFABRO Cc1ccc(C[N@@H+](C)[C@H]2CCCN(c3ccccn3)C2)cn1 ZINC000257259908 383494843 /nfs/dbraw/zinc/49/48/43/383494843.db2.gz LAQAGBCTFFFWSE-KRWDZBQOSA-N 1 0 296.418 2.886 40 0 CFABRO FC(F)(F)CC[NH+]1CCC(c2ccnc3ccnn32)CC1 ZINC000257285696 383494907 /nfs/dbraw/zinc/49/49/07/383494907.db2.gz PIIKLILKDDQOAC-UHFFFAOYSA-N 1 0 298.312 2.861 40 0 CFABRO Cc1cc(N2CCOCC2)ncc1[C@@H]1CCC[N@H+]1C(C)C ZINC000072219399 256707471 /nfs/dbraw/zinc/70/74/71/256707471.db2.gz LYRPPAMAOURZKN-INIZCTEOSA-N 1 0 289.423 2.772 40 0 CFABRO CO[C@@H]1CC[N@H+](Cc2ccc3ccccc3n2)[C@H]2CCO[C@@H]21 ZINC000096218885 256827426 /nfs/dbraw/zinc/82/74/26/256827426.db2.gz QWCPQWBOGKKAMI-KSZLIROESA-N 1 0 298.386 2.613 40 0 CFABRO Cc1ccc(-c2ccc3nnc([C@@H]4CCC[NH2+]C4)n3n2)cc1 ZINC000217560523 130762139 /nfs/dbraw/zinc/76/21/39/130762139.db2.gz XITALQMGHNLDMH-CQSZACIVSA-N 1 0 293.374 2.567 40 0 CFABRO C[C@@H]1CCC[C@@H]1OC[C@H](O)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000010434800 393470984 /nfs/dbraw/zinc/47/09/84/393470984.db2.gz YNHPVKYUSWWEAF-JKJDWNRSSA-N 1 0 269.429 2.530 40 0 CFABRO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH+]1CCCC1 ZINC000031771718 393510319 /nfs/dbraw/zinc/51/03/19/393510319.db2.gz IMOVCMDJFZOMGS-WBVHZDCISA-N 1 0 258.409 2.993 40 0 CFABRO CCC[N@@H+]1CCC[C@H]1c1cnc(N2CCOCC2)cc1C ZINC000072219402 393646367 /nfs/dbraw/zinc/64/63/67/393646367.db2.gz WBEOBEAUUPXNGL-INIZCTEOSA-N 1 0 289.423 2.774 40 0 CFABRO CC[N@@H+]1CCCC[C@@H]1c1cnc(N2CCOCC2)cc1C ZINC000072219416 393646638 /nfs/dbraw/zinc/64/66/38/393646638.db2.gz XTGIIOZBZFHPLY-MRXNPFEDSA-N 1 0 289.423 2.774 40 0 CFABRO CC(C)[N@@H+]1CCC[C@@H]1c1ccnc(Nc2cncnc2)n1 ZINC000072377466 393650653 /nfs/dbraw/zinc/65/06/53/393650653.db2.gz KXORBZJHSKRQAL-CQSZACIVSA-N 1 0 284.367 2.556 40 0 CFABRO CC[N@@H+]1CCC[C@H](Nc2cncc(Br)c2)C1 ZINC000096510504 393834649 /nfs/dbraw/zinc/83/46/49/393834649.db2.gz NNCFNSURBYTISG-NSHDSACASA-N 1 0 284.201 2.740 40 0 CFABRO O=C1OC[C@@H]2CC[N@@H+](CC3CC3)Cc3ccc(F)cc3N12 ZINC000225484798 393768850 /nfs/dbraw/zinc/76/88/50/393768850.db2.gz KOCHIDJGKSMNDH-AWEZNQCLSA-N 1 0 290.338 2.767 40 0 biogenic,in-vitro CFABRO CC(C)C(=O)N1CC2(CC[NH2+]CC2)c2cc(Cl)ccc21 ZINC000096157317 393816114 /nfs/dbraw/zinc/81/61/14/393816114.db2.gz HBYPDGVNXDLXMC-UHFFFAOYSA-N 1 0 292.810 2.964 40 0 CFABRO COC[C@@H]1CC[C@H]2[C@H](CC[N@@H+]2Cc2cccs2)O1 ZINC000096186023 393816920 /nfs/dbraw/zinc/81/69/20/393816920.db2.gz KFEBQGYCCOBMEM-UBHSHLNASA-N 1 0 267.394 2.516 40 0 CFABRO C[NH+](C)CCCNc1c(Cl)cc(N)cc1Cl ZINC000096524270 393838329 /nfs/dbraw/zinc/83/83/29/393838329.db2.gz JMWBIRFJNXJBSX-UHFFFAOYSA-N 1 0 262.184 2.939 40 0 CFABRO C[C@@H]1O[C@@H]2C[C@H](C(F)(F)F)C[C@H](C[NH3+])[C@@H]2[C@@H]1C ZINC000252550343 393936811 /nfs/dbraw/zinc/93/68/11/393936811.db2.gz SJWHBLVDVMHUKH-ZFIOGYDESA-N 1 0 251.292 2.573 40 0 CFABRO C[C@]12CCC[NH2+][C@@H]1CCCN2C(=O)c1ccc(F)cc1 ZINC000257310174 393945108 /nfs/dbraw/zinc/94/51/08/393945108.db2.gz UDZLGITXRYDDCF-ZBFHGGJFSA-N 1 0 276.355 2.572 40 0 CFABRO [NH3+]C[C@@H]1C[C@@]12CCc1cc(Br)ccc12 ZINC000127901131 394058458 /nfs/dbraw/zinc/05/84/58/394058458.db2.gz IDGJGLYHLICIBR-CABZTGNLSA-N 1 0 252.155 2.612 40 0 CFABRO c1ccc(C[C@H]2CN(c3ccccc3)CC[NH2+]2)cc1 ZINC000086125391 135039491 /nfs/dbraw/zinc/03/94/91/135039491.db2.gz WYALVWYXZVGLQQ-INIZCTEOSA-N 1 0 252.361 2.708 40 0 CFABRO CC[C@H](C)[N@@H+]1CCC[C@]2(CCC(=O)N2CCF)CC1 ZINC000585099808 395100129 /nfs/dbraw/zinc/10/01/29/395100129.db2.gz CCEYTXOJVXLRTB-ZFWWWQNUSA-N 1 0 270.392 2.602 40 0 CFABRO CC(C)(C)OC(=O)N1[C@H]([C@H]([NH3+])C(C)(C)C)COC1(C)C ZINC000072208804 397590546 /nfs/dbraw/zinc/59/05/46/397590546.db2.gz KVOZJTFIUREUSI-QWRGUYRKSA-N 1 0 286.416 2.732 40 0 CFABRO CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]([NH3+])C(C)(C)C ZINC000072208645 397590587 /nfs/dbraw/zinc/59/05/87/397590587.db2.gz HUNFKADRYMPRPW-WDEREUQCSA-N 1 0 256.390 2.759 40 0 CFABRO CC(C)[C@H](NC(=O)OC(C)(C)C)[C@@H]([NH3+])C(C)(C)C ZINC000072208958 397590663 /nfs/dbraw/zinc/59/06/63/397590663.db2.gz AOFPFNVVWPZLMO-WDEREUQCSA-N 1 0 258.406 2.909 40 0 CFABRO CCCCC[C@H](C)[NH2+]CCOC(=O)c1ccc(N)cc1 ZINC000001716536 169749010 /nfs/dbraw/zinc/74/90/10/169749010.db2.gz NQQZMHAZSVABON-ZDUSSCGKSA-N 1 0 278.396 2.984 40 0 CFABRO [NH3+]C[C@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1 ZINC000002527100 169803015 /nfs/dbraw/zinc/80/30/15/169803015.db2.gz UCWFSUNQYKZJPE-QGZVFWFLSA-N 1 0 296.370 2.709 40 0 CFABRO Cc1ccc(NC(=O)C[NH+]2CCCC2)cc1Br ZINC000005000568 170053406 /nfs/dbraw/zinc/05/34/06/170053406.db2.gz AFMJDKGHMUSEJR-UHFFFAOYSA-N 1 0 297.196 2.792 40 0 CFABRO CCOC(=O)c1c(C)nc(C)cc1CNc1cc[nH+]cc1 ZINC000006206658 170182433 /nfs/dbraw/zinc/18/24/33/170182433.db2.gz MCIOMIJJYIJMIF-UHFFFAOYSA-N 1 0 285.347 2.882 40 0 CFABRO C[C@H](C[NH+](C)C)OC(=O)Nc1ccc(Cl)cc1 ZINC000006491779 170205896 /nfs/dbraw/zinc/20/58/96/170205896.db2.gz BQHBCYWOGCHHRD-SECBINFHSA-N 1 0 256.733 2.839 40 0 CFABRO COc1cc(C=O)ccc1OCC[N@@H+]1CCCC[C@@H]1C ZINC000009237631 170367945 /nfs/dbraw/zinc/36/79/45/170367945.db2.gz BVCFZEKIVNKCMA-ZDUSSCGKSA-N 1 0 277.364 2.761 40 0 CFABRO CCn1cc(C[NH2+]Cc2cc(F)cc(F)c2)c(C)n1 ZINC000020349222 171155601 /nfs/dbraw/zinc/15/56/01/171155601.db2.gz MHFGLYRKWUJDNX-UHFFFAOYSA-N 1 0 265.307 2.779 40 0 CFABRO c1coc(CN2CC[NH+]([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)c1 ZINC000022579109 171392374 /nfs/dbraw/zinc/39/23/74/171392374.db2.gz CKUWIXAZFGOTHQ-SQWLQELKSA-N 1 0 260.381 2.586 40 0 CFABRO CCCC[C@@H]([C@@H](O)c1ccccc1)[NH+]1CCOCC1 ZINC000031924018 171662773 /nfs/dbraw/zinc/66/27/73/171662773.db2.gz HVIAOPHTMGCYHY-HOTGVXAUSA-N 1 0 263.381 2.611 40 0 CFABRO O=C(C[NH2+]CC1CCCCC1)Nc1ccc2c(c1)OCO2 ZINC000035311490 172122179 /nfs/dbraw/zinc/12/21/79/172122179.db2.gz CUTWPWFICTUHGT-UHFFFAOYSA-N 1 0 290.363 2.524 40 0 CFABRO OC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000037263099 173073281 /nfs/dbraw/zinc/07/32/81/173073281.db2.gz ZHDSKQDEYFYQBV-ROUUACIJSA-N 1 0 267.372 2.895 40 0 CFABRO [NH2+]=C(Nc1ccccc1)Nc1ccc2c(c1)OCO2 ZINC000040164026 174197069 /nfs/dbraw/zinc/19/70/69/174197069.db2.gz JZCXPTNDZIPJEF-UHFFFAOYSA-N 1 0 255.277 2.874 40 0 CFABRO CC(C)(C)OC(=O)N1C[C@H]([NH3+])C[C@@H](c2ccccc2)C1 ZINC000044136104 175145948 /nfs/dbraw/zinc/14/59/48/175145948.db2.gz BUYRRQKPBSWKQI-ZIAGYGMSSA-N 1 0 276.380 2.738 40 0 CFABRO [NH3+][C@H](c1ccccc1)c1ccc(Br)cn1 ZINC000044138886 175146250 /nfs/dbraw/zinc/14/62/50/175146250.db2.gz QZJYXNOQPSAICI-GFCCVEGCSA-N 1 0 263.138 2.892 40 0 CFABRO C[NH2+][C@H]1CCCN(Cc2c(F)cccc2Cl)C1 ZINC000053201249 175543670 /nfs/dbraw/zinc/54/36/70/175543670.db2.gz AQGFQZFSCVLXTO-JTQLQIEISA-N 1 0 256.752 2.663 40 0 CFABRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cccc2cccnc21 ZINC000072324470 176369497 /nfs/dbraw/zinc/36/94/97/176369497.db2.gz VBLAPMAKWRBCTI-YOEHRIQHSA-N 1 0 281.403 2.903 40 0 CFABRO CCOc1ccccc1CN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000072324431 176369592 /nfs/dbraw/zinc/36/95/92/176369592.db2.gz BGYIIFWTODMLGX-GOEBONIOSA-N 1 0 274.408 2.754 40 0 CFABRO CCOc1ccc(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000072324435 176369756 /nfs/dbraw/zinc/36/97/56/176369756.db2.gz KMWWJLGVBJSXFB-GOEBONIOSA-N 1 0 274.408 2.754 40 0 CFABRO Cc1nc(Nc2ccccn2)cc([C@H]2CCC[N@H+]2C)n1 ZINC000072360106 176377048 /nfs/dbraw/zinc/37/70/48/176377048.db2.gz XRMPCNVFBQAGMI-CYBMUJFWSA-N 1 0 269.352 2.690 40 0 CFABRO CC[N@@H+]1CCC[C@H](c2csc(Nc3cnccn3)n2)C1 ZINC000072363450 176378158 /nfs/dbraw/zinc/37/81/58/176378158.db2.gz HKDGTVXCPWRRDT-NSHDSACASA-N 1 0 289.408 2.876 40 0 CFABRO Cc1cnc(Nc2nccnc2[C@H]2CCC[N@@H+](C)C2)s1 ZINC000072365546 176380687 /nfs/dbraw/zinc/38/06/87/176380687.db2.gz XPNKSKMQIZYVPZ-NSHDSACASA-N 1 0 289.408 2.794 40 0 CFABRO Cc1cc(-c2ccc(CO)cc2)nc([C@@H]2CCC[N@@H+](C)C2)n1 ZINC000072365264 176380739 /nfs/dbraw/zinc/38/07/39/176380739.db2.gz VVPXENVZLYOGFJ-MRXNPFEDSA-N 1 0 297.402 2.754 40 0 CFABRO C[N@@H+]1CCCC[C@H]1c1ccnc(Nc2ccccn2)n1 ZINC000072377369 176386004 /nfs/dbraw/zinc/38/60/04/176386004.db2.gz GVCPCVRZOUWHFB-ZDUSSCGKSA-N 1 0 269.352 2.772 40 0 CFABRO Cc1cc(Nc2ccccn2)nc([C@@H]2CCCC[NH2+]2)n1 ZINC000072380748 176387065 /nfs/dbraw/zinc/38/70/65/176387065.db2.gz KWLFLGKKRDWXQK-LBPRGKRZSA-N 1 0 269.352 2.738 40 0 CFABRO c1ccc(Cc2cnc([C@H]3CCC[NH2+]C3)cn2)cc1 ZINC000072384560 176388625 /nfs/dbraw/zinc/38/86/25/176388625.db2.gz LXDDHUUJYKIZIZ-AWEZNQCLSA-N 1 0 253.349 2.534 40 0 CFABRO COc1cccc(-c2cnc([C@@H]3CCC[NH2+]C3)cn2)c1 ZINC000072386795 176392340 /nfs/dbraw/zinc/39/23/40/176392340.db2.gz ATAYVHXHTVNLDQ-CYBMUJFWSA-N 1 0 269.348 2.619 40 0 CFABRO O=C(OCc1ccccc1)N1CCC[C@H]1C[NH2+]C1CC1 ZINC000079437269 177490311 /nfs/dbraw/zinc/49/03/11/177490311.db2.gz MPSUFNGZAGGTIN-HNNXBMFYSA-N 1 0 274.364 2.540 40 0 CFABRO CC(C)N(C[C@@H]1CC[NH2+]C1)C(=O)OCc1ccccc1 ZINC000079437832 177491049 /nfs/dbraw/zinc/49/10/49/177491049.db2.gz RLXUDAWFGAJFDX-OAHLLOKOSA-N 1 0 276.380 2.643 40 0 CFABRO O=C(NCCC[NH+]1CCCC1)c1ccc2c(c1)CCCC2 ZINC000066067622 260244657 /nfs/dbraw/zinc/24/46/57/260244657.db2.gz KTQHUEVQQZGTNE-UHFFFAOYSA-N 1 0 286.419 2.781 40 0 CFABRO Brc1ccc(-c2nc3c(o2)C[NH2+]CC3)cc1 ZINC000044136970 275368833 /nfs/dbraw/zinc/36/88/33/275368833.db2.gz YRWMNCRLLVQVLS-UHFFFAOYSA-N 1 0 279.137 2.750 40 0 CFABRO CC1(C)Oc2cc(O)ccc2[C@@H]2O[C@@H]3CCC[NH2+][C@@H]3C[C@H]21 ZINC000257294277 276157008 /nfs/dbraw/zinc/15/70/08/276157008.db2.gz QTJCTANAMVPEJQ-KQTLUZQSSA-N 1 0 289.375 2.761 40 0 CFABRO Brc1ccc2c(c1)[C@]1(CCC2)COCC[NH2+]1 ZINC000306145427 276768693 /nfs/dbraw/zinc/76/86/93/276768693.db2.gz FBWJHXXBLQHYNF-ZDUSSCGKSA-N 1 0 282.181 2.601 40 0 CFABRO C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000082333006 277073194 /nfs/dbraw/zinc/07/31/94/277073194.db2.gz SNKJUFYNIKKKRR-JTQLQIEISA-N 1 0 286.297 2.986 40 0 CFABRO COc1cc2c(cc1OC)C(c1ccccc1)[N+](=O)CC2 ZINC000000338392 277393502 /nfs/dbraw/zinc/39/35/02/277393502.db2.gz GWCOJQAMDGNNIH-UHFFFAOYSA-N 1 0 283.327 2.608 40 0 biogenic,in-vitro CFABRO CC(C)(C)OC(=O)N1CCC2(CC[C@H]([NH3+])C2)CC1 ZINC000091304147 278384413 /nfs/dbraw/zinc/38/44/13/278384413.db2.gz MYLCOFZLZPQHOR-NSHDSACASA-N 1 0 254.374 2.515 40 0 CFABRO Cc1ccc(-c2ccc([C@H]3C[NH2+]CCO3)nc2)cc1 ZINC000072386728 278768240 /nfs/dbraw/zinc/76/82/40/278768240.db2.gz YAKVTWXUGUCHNJ-MRXNPFEDSA-N 1 0 254.333 2.718 40 0 CFABRO C[N@H+]1[C@@H]2CC[C@H]1CC(O)(c1ccc(Cl)cc1)C2 ZINC000001581810 290316720 /nfs/dbraw/zinc/31/67/20/290316720.db2.gz BMJZLMUHIPOBKE-PBWFPOADSA-N 1 0 251.757 2.784 40 0 CFABRO COc1cccc(C[NH+](C)C)c1[C@H](O)c1ccccc1 ZINC000001662369 295294675 /nfs/dbraw/zinc/29/46/75/295294675.db2.gz RMFTUFXYYPSWKO-QGZVFWFLSA-N 1 0 271.360 2.839 40 0 CFABRO Fc1ccc(N2CC[NH2+][C@H]3CCCC[C@H]32)cc1F ZINC000218837394 333137007 /nfs/dbraw/zinc/13/70/07/333137007.db2.gz ZFYNMLCZUGFDGS-UONOGXRCSA-N 1 0 252.308 2.686 40 0 CFABRO COc1ccc([C@H](C)N2CC[NH2+][C@@H]3CCCC[C@H]32)cc1 ZINC000218839305 333137043 /nfs/dbraw/zinc/13/70/43/333137043.db2.gz KUSCMGFHXLDZSL-IAOVAPTHSA-N 1 0 274.408 2.973 40 0 CFABRO CCCNc1ncc(C[NH2+]Cc2ccc(C)cc2)cn1 ZINC000062717707 333176083 /nfs/dbraw/zinc/17/60/83/333176083.db2.gz ASLJYPBERHQVPJ-UHFFFAOYSA-N 1 0 270.380 2.897 40 0 CFABRO Cc1ccccc1C(=O)N1CCC[C@]2(CCC[NH2+]C2)C1 ZINC000033426412 500986562 /nfs/dbraw/zinc/98/65/62/500986562.db2.gz GSVWCUJVDFWDHS-KRWDZBQOSA-N 1 0 272.392 2.601 40 0 CFABRO CCO[C@H](C[NH2+]C)c1cccc(Br)c1 ZINC000050482039 520521098 /nfs/dbraw/zinc/52/10/98/520521098.db2.gz YTWPVCMNWZXZDW-LLVKDONJSA-N 1 0 258.159 2.746 40 0 CFABRO c1ccc2ncc(-c3noc(C4CC[NH2+]CC4)n3)cc2c1 ZINC000117252046 526519095 /nfs/dbraw/zinc/51/90/95/526519095.db2.gz HBEFJWQYFWPUON-UHFFFAOYSA-N 1 0 280.331 2.752 40 0 CFABRO CC(C)[C@H]([NH3+])c1nc(-c2ccccc2Cl)n[nH]1 ZINC000095534760 185008521 /nfs/dbraw/zinc/00/85/21/185008521.db2.gz QNXLXANOKTTXCC-JTQLQIEISA-N 1 0 250.733 2.781 40 0 CFABRO C[C@]12C[C@@H](c3ccccc3)[NH2+][C@H]1CCCCC(=O)N2 ZINC000095951594 185039700 /nfs/dbraw/zinc/03/97/00/185039700.db2.gz BRUSNJCWZPNHEY-DZKIICNBSA-N 1 0 258.365 2.539 40 0 CFABRO CCc1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)N3)[C@H]2CC)o1 ZINC000096045689 185071222 /nfs/dbraw/zinc/07/12/22/185071222.db2.gz PNONEQFZGDLNNP-WBVHZDCISA-N 1 0 290.407 2.865 40 0 CFABRO Cc1nccc([C@@H]2C[C@@H]3CC[N@H+](Cc4ccco4)C[C@H]3O2)n1 ZINC000096046350 185071521 /nfs/dbraw/zinc/07/15/21/185071521.db2.gz UQCMRECCSUIFNS-RRQGHBQHSA-N 1 0 299.374 2.730 40 0 CFABRO CCN1C(=O)CC[C@]12CCC[N@H+](Cc1ccoc1)CC2 ZINC000096047491 185073030 /nfs/dbraw/zinc/07/30/30/185073030.db2.gz NLDOHLTXXWQTLG-INIZCTEOSA-N 1 0 276.380 2.647 40 0 CFABRO O=C1[C@H]2C[N@H+](Cc3ccsc3)C[C@@H]2CN1c1ccccc1 ZINC000096053577 185074798 /nfs/dbraw/zinc/07/47/98/185074798.db2.gz GBXOLJUGJKBEIV-ZBFHGGJFSA-N 1 0 298.411 2.843 40 0 CFABRO CO[C@@H]1CC[N@H+](Cc2ccccn2)[C@H]1Cc1ccccc1 ZINC000096061577 185083379 /nfs/dbraw/zinc/08/33/79/185083379.db2.gz PGXVHXSBXLUDIQ-ZWKOTPCHSA-N 1 0 282.387 2.914 40 0 CFABRO CCC(=O)N1CC[C@@]2(c3ccccc3)CC[N@@H+](CC)[C@@H]2C1 ZINC000096083408 185093177 /nfs/dbraw/zinc/09/31/77/185093177.db2.gz RIUVUINPIUCPPW-SJLPKXTDSA-N 1 0 286.419 2.661 40 0 CFABRO CCO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1scnc1C)C2 ZINC000096107229 185099786 /nfs/dbraw/zinc/09/97/86/185099786.db2.gz QEDIBVNZYQSMAD-HIFRSBDPSA-N 1 0 296.436 2.612 40 0 CFABRO CO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1cccs1)C2 ZINC000096107178 185099976 /nfs/dbraw/zinc/09/99/76/185099976.db2.gz JJUKSHBGSKSHIW-OCCSQVGLSA-N 1 0 267.394 2.518 40 0 CFABRO Nc1cccc(OC[C@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000000035444 346204282 /nfs/dbraw/zinc/20/42/82/346204282.db2.gz HDXSSQBGRXLIOW-CZUORRHYSA-N 1 0 260.381 2.912 40 0 CFABRO O[C@H]1C[N@@H+]2CC[C@H]1C/C2=C\c1ccnc2ccccc12 ZINC000004963783 346210787 /nfs/dbraw/zinc/21/07/87/346210787.db2.gz YHQXMUZXDKRFTL-XECZKGKISA-N 1 0 266.344 2.662 40 0 CFABRO CC[NH2+][C@H]1CN(C(=O)CC(C)C)C2(C1)CCCCC2 ZINC000019703801 346241814 /nfs/dbraw/zinc/24/18/14/346241814.db2.gz SPODABILJNKDRU-CQSZACIVSA-N 1 0 266.429 2.946 40 0 CFABRO c1cncc([C@@H](C2CCCCC2)N2CC[NH2+]CC2)c1 ZINC000076669243 347147184 /nfs/dbraw/zinc/14/71/84/347147184.db2.gz QYQFUUPSLUSYES-MRXNPFEDSA-N 1 0 259.397 2.608 40 0 CFABRO C[C@H]1CCCN([C@H](C[NH3+])c2cncc(Br)c2)C1 ZINC000110752537 347749770 /nfs/dbraw/zinc/74/97/70/347749770.db2.gz IGLNQGPKWSTJQT-GXFFZTMASA-N 1 0 298.228 2.576 40 0 CFABRO CCOC(=O)[C@@H]1CC[NH2+][C@H]1c1cccc(Cl)c1 ZINC000257197712 348305873 /nfs/dbraw/zinc/30/58/73/348305873.db2.gz GWHBQUVPHPDSTR-NEPJUHHUSA-N 1 0 253.729 2.554 40 0 CFABRO NC(=[NH2+])SCc1nc(-c2cccc(Cl)c2)no1 ZINC000087464348 179430082 /nfs/dbraw/zinc/43/00/82/179430082.db2.gz APRHIYGJSNWLCX-UHFFFAOYSA-N 1 0 268.729 2.517 40 0 CFABRO CCc1ccc([C@@H]2C[NH2+]C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC000409423370 348600489 /nfs/dbraw/zinc/60/04/89/348600489.db2.gz QHWKGZOOXVZJPV-LSDHHAIUSA-N 1 0 290.407 2.829 40 0 CFABRO CC(C)(C)OC(=O)N(CC1CC1)[C@@H]1CCC[C@H]1[NH3+] ZINC000409440012 348602397 /nfs/dbraw/zinc/60/23/97/348602397.db2.gz JHQAHJBTJCUJQT-VXGBXAGGSA-N 1 0 254.374 2.513 40 0 CFABRO CC1(C)CC[C@@H]2[C@@H](CCC[N@@H+]2CC2(O)CCCC2)O1 ZINC000585283947 348738956 /nfs/dbraw/zinc/73/89/56/348738956.db2.gz GBWXFBAUKWIWOM-ZIAGYGMSSA-N 1 0 267.413 2.714 40 0 CFABRO C[N@@H+]1CC[C@@]12CCCN(C(=O)c1nccc3ccccc31)C2 ZINC000585102349 348734110 /nfs/dbraw/zinc/73/41/10/348734110.db2.gz XVSVVIKJSOUOHH-GOSISDBHSA-N 1 0 295.386 2.545 40 0 CFABRO Cc1ccc(C(=O)N[C@@H]2c3ccccc3[C@@H]3C[N@H+](C)C[C@@H]32)o1 ZINC000585109714 348734245 /nfs/dbraw/zinc/73/42/45/348734245.db2.gz KTSCQMJINHRRSA-YQQAZPJKSA-N 1 0 296.370 2.718 40 0 CFABRO O=C(C1CC(F)C1)N1CCC2(CC([NH+]3CCCC3)C2)CC1 ZINC000585101507 348734408 /nfs/dbraw/zinc/73/44/08/348734408.db2.gz ICLHOOBZMCKFKY-UHFFFAOYSA-N 1 0 294.414 2.602 40 0 CFABRO COCC[C@@H]1CCOC12CC[NH+](Cc1ccco1)CC2 ZINC000585103752 348734503 /nfs/dbraw/zinc/73/45/03/348734503.db2.gz ZUVRQLVJDOGZOM-CQSZACIVSA-N 1 0 279.380 2.687 40 0 CFABRO c1cncc(O[C@H]2CSC3(C[NH+](C4CCCC4)C3)C2)c1 ZINC000585104668 348734655 /nfs/dbraw/zinc/73/46/55/348734655.db2.gz KTHWLESZDJUTIX-OAHLLOKOSA-N 1 0 290.432 2.963 40 0 CFABRO Brc1cccc(SC[C@H]2CCC[NH2+]C2)n1 ZINC000091364001 180142370 /nfs/dbraw/zinc/14/23/70/180142370.db2.gz SJGRTYYKSUCFAI-VIFPVBQESA-N 1 0 287.226 2.936 40 0 CFABRO CNC(=O)[C@H]1CCC[C@]12CC[N@H+](Cc1ccc(C)cc1)C2 ZINC000108524084 186220560 /nfs/dbraw/zinc/22/05/60/186220560.db2.gz WPGVXNURNPHDBQ-SJLPKXTDSA-N 1 0 286.419 2.733 40 0 CFABRO CC(C)[NH+]1CCC(c2cnc(Br)cn2)CC1 ZINC000205673009 539931775 /nfs/dbraw/zinc/93/17/75/539931775.db2.gz JOMGUUMBUPAVPI-UHFFFAOYSA-N 1 0 284.201 2.827 40 0 CFABRO C[C@H](NC(=O)[C@H]1CCC[NH2+]C1)C12CC3CC(CC(C3)C1)C2 ZINC000019410297 299232163 /nfs/dbraw/zinc/23/21/63/299232163.db2.gz LLBDCHCNWSXLKN-HANOVZDXSA-N 1 0 290.451 2.707 40 0 CFABRO CCC[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=S)NCC(C)C)C2 ZINC000004886734 283356376 /nfs/dbraw/zinc/35/63/76/283356376.db2.gz XBANPIMSGWRGCQ-GOOCMWNKSA-N 1 0 297.512 2.902 40 0 CFABRO CC(C)OC(=O)[C@H](c1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000204472895 540785020 /nfs/dbraw/zinc/78/50/20/540785020.db2.gz AZVPADMEIMLODT-HUUCEWRRSA-N 1 0 261.365 2.864 40 0 in-vitro CFABRO [NH3+]Cc1cccc(CN2CCOc3ccccc32)c1 ZINC000252494402 540931390 /nfs/dbraw/zinc/93/13/90/540931390.db2.gz NUMVDUBUKCCSOZ-UHFFFAOYSA-N 1 0 254.333 2.544 40 0 CFABRO Nc1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCC[NH2+]2)n1 ZINC000257198186 283693226 /nfs/dbraw/zinc/69/32/26/283693226.db2.gz VLWSPEKJYWESHY-LBPRGKRZSA-N 1 0 274.755 2.804 40 0 CFABRO CC[NH+](CC)C[C@H](O)COc1ccccc1C(C)C ZINC000001475851 371676524 /nfs/dbraw/zinc/67/65/24/371676524.db2.gz WSHIELPVLFWHFG-AWEZNQCLSA-N 1 0 265.397 2.892 40 0 CFABRO CC[NH+](CC)C[C@@H](O)COC1C2CC3CC(C2)CC1C3 ZINC000001462632 371676562 /nfs/dbraw/zinc/67/65/62/371676562.db2.gz RMVWGVQVZNOYIK-OBYDGYHJSA-N 1 0 281.440 2.530 40 0 CFABRO C[NH+](C)[C@@H]1CCc2[nH]c3c(cc(F)cc3F)c2C1 ZINC000002007119 371712175 /nfs/dbraw/zinc/71/21/75/371712175.db2.gz FXNCRITWFOVSEP-SECBINFHSA-N 1 0 250.292 2.865 40 0 in-man CFABRO C[C@@H](O)C[NH2+][C@@H](Cc1ccccc1)c1ccc2c(c1)OCO2 ZINC000001666294 371693760 /nfs/dbraw/zinc/69/37/60/371693760.db2.gz OZMCZZMHGXRKFP-CJNGLKHVSA-N 1 0 299.370 2.670 40 0 CFABRO C[C@@H](O)C[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000001666282 371694150 /nfs/dbraw/zinc/69/41/50/371694150.db2.gz JXHMGLPMZUHEPR-PBHICJAKSA-N 1 0 255.361 2.941 40 0 CFABRO CC[NH+](CC)CC(=O)Nc1cc(C)ccc1Cl ZINC000001671765 371694837 /nfs/dbraw/zinc/69/48/37/371694837.db2.gz RIWNLEXHBVSLCJ-UHFFFAOYSA-N 1 0 254.761 2.929 40 0 CFABRO C[NH+](C)CC[C@@](O)(Cc1ccccc1)c1ccco1 ZINC000001705034 371700207 /nfs/dbraw/zinc/70/02/07/371700207.db2.gz WXKXEUZGIUCOTI-MRXNPFEDSA-N 1 0 259.349 2.662 40 0 CFABRO O[C@@H](C[NH2+][C@H]1CCc2ccccc21)COc1ccccc1 ZINC000001718123 371701523 /nfs/dbraw/zinc/70/15/23/371701523.db2.gz MXUUOMBREIUEQT-YJBOKZPZSA-N 1 0 283.371 2.703 40 0 CFABRO CCOC(=O)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000004343451 371851604 /nfs/dbraw/zinc/85/16/04/371851604.db2.gz XJCLMIPLNVXPDG-ZNMIVQPWSA-N 1 0 259.349 2.775 40 0 CFABRO CC(=O)O[C@H]1[C@@H]2CCC[C@H]1CC[C@H]2[NH+]1CCCC1 ZINC000004142454 371836389 /nfs/dbraw/zinc/83/63/89/371836389.db2.gz LCESFZPIVFLOLG-GBJTYRQASA-N 1 0 251.370 2.593 40 0 CFABRO CC(C)(C)OC(=O)NCCCC[C@H]1CCC[NH2+]C1 ZINC000004202984 371840016 /nfs/dbraw/zinc/84/00/16/371840016.db2.gz YSIDFIHUUYLATN-LBPRGKRZSA-N 1 0 256.390 2.681 40 0 CFABRO Cn1cc(C[NH2+]CCc2c[nH]c3ccc(Cl)cc23)cn1 ZINC000012395504 371959338 /nfs/dbraw/zinc/95/93/38/371959338.db2.gz JGKKDUYMMPAUST-UHFFFAOYSA-N 1 0 288.782 2.887 40 0 CFABRO Cc1[nH]c2c(cccc2C)c1CC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000012183379 371948016 /nfs/dbraw/zinc/94/80/16/371948016.db2.gz CVMQGMMUYDENET-AWEZNQCLSA-N 1 0 299.418 2.538 40 0 CFABRO CCN(CC)C1=[NH+]c2ccccc2-n2ccnc2C1 ZINC000013214820 372019904 /nfs/dbraw/zinc/01/99/04/372019904.db2.gz KXXPWIYUYZWVOO-UHFFFAOYSA-N 1 0 254.337 2.800 40 0 CFABRO C[NH2+][C@H](C)Cc1cc(OC)c(Br)cc1OC ZINC000013450458 372027598 /nfs/dbraw/zinc/02/75/98/372027598.db2.gz GURVSGCCXMIFMQ-MRVPVSSYSA-N 1 0 288.185 2.617 40 0 in-vitro CFABRO O=C(NCCC[NH+]1CCCCCC1)c1ccccc1 ZINC000013648257 372038250 /nfs/dbraw/zinc/03/82/50/372038250.db2.gz LHKWAWCFKVTHKS-UHFFFAOYSA-N 1 0 260.381 2.683 40 0 CFABRO Cc1ccc(/C=C/C(=O)NCCC[NH+]2CCCC2)cc1 ZINC000013672437 372039465 /nfs/dbraw/zinc/03/94/65/372039465.db2.gz UIQANSKRSLCELZ-MDZDMXLPSA-N 1 0 272.392 2.610 40 0 CFABRO Cc1ccc2cc(C[NH2+]C3CCC3)c(=O)[nH]c2c1C ZINC000013998745 372056221 /nfs/dbraw/zinc/05/62/21/372056221.db2.gz XTULODBWZDLSDU-UHFFFAOYSA-N 1 0 256.349 2.787 40 0 CFABRO Nc1cccc(OC[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000017466974 372134106 /nfs/dbraw/zinc/13/41/06/372134106.db2.gz HDXSSQBGRXLIOW-CJNGLKHVSA-N 1 0 260.381 2.912 40 0 CFABRO c1coc(CN2CC[NH+]([C@H]3C[C@H]4CC[C@@H]3C4)CC2)c1 ZINC000019359449 372156416 /nfs/dbraw/zinc/15/64/16/372156416.db2.gz CKUWIXAZFGOTHQ-LZWOXQAQSA-N 1 0 260.381 2.586 40 0 CFABRO COc1ccc([C@H](Cc2ccccc2)NCC[NH3+])cc1 ZINC000019365855 372156736 /nfs/dbraw/zinc/15/67/36/372156736.db2.gz SMTBKEGMUSEVOP-KRWDZBQOSA-N 1 0 270.376 2.527 40 0 CFABRO O=C(Nc1cc(Cl)cc(Cl)c1)C1CC[NH2+]CC1 ZINC000019408796 372159964 /nfs/dbraw/zinc/15/99/64/372159964.db2.gz IBZXWJWFQHXSJL-UHFFFAOYSA-N 1 0 273.163 2.932 40 0 CFABRO CCC[NH2+]Cc1cc(Br)c(O)c(OC)c1 ZINC000019472881 372167059 /nfs/dbraw/zinc/16/70/59/372167059.db2.gz IYKITCBQMWOBQN-UHFFFAOYSA-N 1 0 274.158 2.663 40 0 CFABRO CCC(=O)N1C[C@H](c2ccc(F)cc2)[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000019499181 372169805 /nfs/dbraw/zinc/16/98/05/372169805.db2.gz XBNXTQMANNURMZ-BFYDXBDKSA-N 1 0 290.382 2.624 40 0 CFABRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCCc1ccccc1 ZINC000019575050 372176518 /nfs/dbraw/zinc/17/65/18/372176518.db2.gz JGUVTYVSQLFMCM-WBVHZDCISA-N 1 0 258.409 2.788 40 0 CFABRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc(F)cc(F)c1 ZINC000019575072 372176734 /nfs/dbraw/zinc/17/67/34/372176734.db2.gz HMGJVSIRRKXLRA-IAQYHMDHSA-N 1 0 266.335 2.633 40 0 CFABRO OCc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000020434944 372237001 /nfs/dbraw/zinc/23/70/01/372237001.db2.gz CCVYGUZLEYMHAW-UHFFFAOYSA-N 1 0 282.387 2.501 40 0 CFABRO Cn1cccc1CN1CC[NH+](C2CCCCCC2)CC1 ZINC000022938804 372247340 /nfs/dbraw/zinc/24/73/40/372247340.db2.gz ZIUWVGHFTKXHND-UHFFFAOYSA-N 1 0 275.440 2.866 40 0 CFABRO Cc1cc(C)c(C)c(OC[C@@H](O)C[NH2+]CC(C)C)c1 ZINC000026780544 372329631 /nfs/dbraw/zinc/32/96/31/372329631.db2.gz AKCFKJSFECNCMW-HNNXBMFYSA-N 1 0 265.397 2.597 40 0 CFABRO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@@H](O)COc1ccc(F)cc1 ZINC000026781214 372329800 /nfs/dbraw/zinc/32/98/00/372329800.db2.gz CEASHOGVRDNAAP-UMVBOHGHSA-N 1 0 281.371 2.828 40 0 CFABRO CC[NH+](CC)C[C@@H](O)COC12CC3CC(CC(C3)C1)C2 ZINC000027533962 372343377 /nfs/dbraw/zinc/34/33/77/372343377.db2.gz MGOBWAIGRFGEQE-YYUOFMGYSA-N 1 0 281.440 2.675 40 0 CFABRO COc1ccc2c(c1)[C@@]13CC[N@H+](C)[C@@H](C2)[C@@H]1[C@@H](C)CC(=O)C3 ZINC000029477722 372381166 /nfs/dbraw/zinc/38/11/66/372381166.db2.gz FVZCKWRBLLZDHV-TUCQFJRYSA-N 1 0 299.414 2.808 40 0 biogenic,in-vitro CFABRO CCCCOc1ccc(C[NH2+]CCOC)cc1OC ZINC000032115603 372431525 /nfs/dbraw/zinc/43/15/25/372431525.db2.gz WEUPDENVVRMBOK-UHFFFAOYSA-N 1 0 267.369 2.610 40 0 CFABRO COC(=O)C[C@H]([NH3+])c1cccc(OCc2ccccc2)c1 ZINC000032500958 372441535 /nfs/dbraw/zinc/44/15/35/372441535.db2.gz YYTAWEKBLQTBNP-INIZCTEOSA-N 1 0 285.343 2.829 40 0 CFABRO C[NH+]1CCC(O)(c2ccc(C(F)(F)F)cc2)CC1 ZINC000034382046 372508869 /nfs/dbraw/zinc/50/88/69/372508869.db2.gz PMPITXZIQAUESQ-UHFFFAOYSA-N 1 0 259.271 2.619 40 0 CFABRO Fc1ccc2[nH]c([C@H]3CC[N@@H+](C4CCOCC4)C3)nc2c1 ZINC000035446613 372550546 /nfs/dbraw/zinc/55/05/46/372550546.db2.gz SQWKLZZHARQSDU-NSHDSACASA-N 1 0 289.354 2.670 40 0 biogenic,in-vitro CFABRO CN(C[C@H](c1ccccc1)[NH+](C)C)c1ccnc(Cl)n1 ZINC000038579726 372776233 /nfs/dbraw/zinc/77/62/33/372776233.db2.gz ULIMMXBKAVZUBS-CYBMUJFWSA-N 1 0 290.798 2.869 40 0 CFABRO CC(C)O[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000042957450 372968384 /nfs/dbraw/zinc/96/83/84/372968384.db2.gz WOQBRHRUXBLFBZ-LLVKDONJSA-N 1 0 258.159 2.874 40 0 CFABRO C[C@@H]1CCC[N@H+](CCCNC(=O)Cc2ccccc2F)C1 ZINC000046967376 373073008 /nfs/dbraw/zinc/07/30/08/373073008.db2.gz MAEYZJDNOZYXKL-CQSZACIVSA-N 1 0 292.398 2.606 40 0 CFABRO CC(C)C[N@@H+]1CC[C@H](c2nnc(-c3cccnc3)o2)C1 ZINC000049169678 373273152 /nfs/dbraw/zinc/27/31/52/373273152.db2.gz LTFKVYDJCXYWKJ-ZDUSSCGKSA-N 1 0 272.352 2.577 40 0 biogenic,in-vitro CFABRO c1csc([C@@H]2C[N@H+](Cc3ccccc3)CCN2)c1 ZINC000056894912 373574528 /nfs/dbraw/zinc/57/45/28/373574528.db2.gz BBZZPAYGUJCNOB-AWEZNQCLSA-N 1 0 258.390 2.895 40 0 CFABRO Fc1cccc(Cl)c1CN1CCC[NH2+]CCC1 ZINC000064220208 373819246 /nfs/dbraw/zinc/81/92/46/373819246.db2.gz DQNDAZUSEHQQOE-UHFFFAOYSA-N 1 0 256.752 2.665 40 0 CFABRO CC[C@H](C)Oc1ccc(C[NH2+]CCCOC)cc1 ZINC000066170354 373919262 /nfs/dbraw/zinc/91/92/62/373919262.db2.gz VWBMLIZGBVPXTR-ZDUSSCGKSA-N 1 0 251.370 2.990 40 0 CFABRO Cc1cc(Cl)cc2c(N3CC[NH2+]CC3)ccnc12 ZINC000068136463 374021916 /nfs/dbraw/zinc/02/19/16/374021916.db2.gz DLHDHMFOYLPOLJ-UHFFFAOYSA-N 1 0 261.756 2.606 40 0 CFABRO CC(C)N(Cc1cccc(Cl)c1Cl)C(=O)C[NH3+] ZINC000079420848 374609359 /nfs/dbraw/zinc/60/93/59/374609359.db2.gz SAUQJPNZFHMMIC-UHFFFAOYSA-N 1 0 275.179 2.689 40 0 CFABRO CC(C)N(CC1CC[NH2+]CC1)C(=O)OC(C)(C)C ZINC000079437660 374612159 /nfs/dbraw/zinc/61/21/59/374612159.db2.gz UDLBPMPMHHADCA-UHFFFAOYSA-N 1 0 256.390 2.632 40 0 CFABRO Cc1ccsc1CN(C(=O)[C@@H]([NH3+])C(C)C)C(C)C ZINC000079436456 374612209 /nfs/dbraw/zinc/61/22/09/374612209.db2.gz KQLQEZFJKNENNC-ZDUSSCGKSA-N 1 0 268.426 2.777 40 0 CFABRO C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000082325077 374735471 /nfs/dbraw/zinc/73/54/71/374735471.db2.gz GNZZSTFNVYIZFT-SECBINFHSA-N 1 0 270.735 2.759 40 0 CFABRO C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2Br)C1 ZINC000082335785 374737440 /nfs/dbraw/zinc/73/74/40/374737440.db2.gz ATRJKBLUSWHVIT-SNVBAGLBSA-N 1 0 297.196 2.729 40 0 CFABRO c1coc(C[NH+]2CCC3(C[C@@H](OCC4CC4)CO3)CC2)c1 ZINC000096206316 375476606 /nfs/dbraw/zinc/47/66/06/375476606.db2.gz WDJLKGVIDAMMRJ-MRXNPFEDSA-N 1 0 291.391 2.830 40 0 CFABRO c1cc(C[N@H+]2CC[C@]3(C[C@@H](OCC4CCC4)CO3)C2)co1 ZINC000096206013 375478035 /nfs/dbraw/zinc/47/80/35/375478035.db2.gz ZZGYMWVPDJSBDT-SJORKVTESA-N 1 0 291.391 2.830 40 0 CFABRO O=C(c1ccoc1)N1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC000096227896 375479352 /nfs/dbraw/zinc/47/93/52/375479352.db2.gz KSDQKWOPMHLCKD-UHFFFAOYSA-N 1 0 288.391 2.760 40 0 CFABRO c1cnc(N2CCC3(CCC[N@@H+](CC4CC4)C3)CC2)nc1 ZINC000096217541 375479972 /nfs/dbraw/zinc/47/99/72/375479972.db2.gz HWHCPLZIOUMILC-UHFFFAOYSA-N 1 0 286.423 2.569 40 0 CFABRO Cc1cccc(C[N@@H+]2CCC[C@@]3(CCN(CCF)C3)C2)n1 ZINC000096216240 375480307 /nfs/dbraw/zinc/48/03/07/375480307.db2.gz XIYQRFOJOZVEOT-KRWDZBQOSA-N 1 0 291.414 2.647 40 0 CFABRO Cc1cccc(C(=O)N2C[C@@H]3CC[N@@H+](C(C)C)C[C@@H]3C2)c1 ZINC000096246087 375481467 /nfs/dbraw/zinc/48/14/67/375481467.db2.gz LVOVHOLAPXJRCF-DLBZAZTESA-N 1 0 286.419 2.797 40 0 CFABRO C[NH+]1CCC2(CCN(C(=O)c3ccc(Cl)cc3)C2)CC1 ZINC000096268556 375483750 /nfs/dbraw/zinc/48/37/50/375483750.db2.gz CGNYRKCYMRPCQW-UHFFFAOYSA-N 1 0 292.810 2.898 40 0 CFABRO Oc1ccc(C[NH+]2CCCC2)cc1Br ZINC000098012815 375590008 /nfs/dbraw/zinc/59/00/08/375590008.db2.gz XVUAEILJFSUCNX-UHFFFAOYSA-N 1 0 256.143 2.751 40 0 CFABRO Cc1nn(C2CCCC2)cc1C[NH2+]C[C@@H]1CCCO1 ZINC000256053431 190004751 /nfs/dbraw/zinc/00/47/51/190004751.db2.gz RLWNMCHMUJZYQR-HNNXBMFYSA-N 1 0 263.385 2.575 40 0 CFABRO CCCn1cc(C[NH2+]Cc2cc(F)cc(F)c2)cn1 ZINC000256054185 190004827 /nfs/dbraw/zinc/00/48/27/190004827.db2.gz VGLFPOUAANRPGS-UHFFFAOYSA-N 1 0 265.307 2.861 40 0 CFABRO CCOCCC[NH2+]Cc1cnn(C2CCCC2)c1 ZINC000256053625 190005116 /nfs/dbraw/zinc/00/51/16/190005116.db2.gz SEDUQRHVLAXAIV-UHFFFAOYSA-N 1 0 251.374 2.514 40 0 CFABRO CC[NH+](CC)CCCNCc1cnn(C2CCCC2)c1 ZINC000256055152 190005360 /nfs/dbraw/zinc/00/53/60/190005360.db2.gz ZKZWYTNXTBBQLD-UHFFFAOYSA-N 1 0 278.444 2.820 40 0 CFABRO CCn1ncc(C)c1C[NH2+]Cc1ccc(OC)cc1 ZINC000256050973 190003905 /nfs/dbraw/zinc/00/39/05/190003905.db2.gz HGDJFGIQKZFNHD-UHFFFAOYSA-N 1 0 259.353 2.510 40 0 CFABRO Fc1ccc(Oc2nccnc2[C@@H]2CCC[NH2+]C2)cc1 ZINC000257197501 190010074 /nfs/dbraw/zinc/01/00/74/190010074.db2.gz BIKXTTSFIDSYMU-LLVKDONJSA-N 1 0 273.311 2.875 40 0 CFABRO CCCn1nccc1-c1ncccc1CC1CC[NH2+]CC1 ZINC000257206930 190011502 /nfs/dbraw/zinc/01/15/02/190011502.db2.gz BFNJXIZWACSRAY-UHFFFAOYSA-N 1 0 284.407 2.897 40 0 CFABRO CC(C)[N@@H+]1CCC[C@@H](Cc2nccnc2-c2nccn2C)C1 ZINC000257210380 190012056 /nfs/dbraw/zinc/01/20/56/190012056.db2.gz BUKGPRRVOMZBCH-AWEZNQCLSA-N 1 0 299.422 2.540 40 0 CFABRO C[C@]12CC[NH2+][C@H]1CCCCC(=O)N2Cc1ccc(F)cc1 ZINC000257212342 190012939 /nfs/dbraw/zinc/01/29/39/190012939.db2.gz CCYVKWAIOIPYBH-RDJZCZTQSA-N 1 0 290.382 2.849 40 0 CFABRO c1ccc(C[N@@H+]2CCC[C@@H](c3ccncn3)C2)cc1 ZINC000257253447 190020531 /nfs/dbraw/zinc/02/05/31/190020531.db2.gz JYYONUDUALXNEX-OAHLLOKOSA-N 1 0 253.349 2.856 40 0 CFABRO CC(=O)NCc1cccc([C@H]2CCC[N@@H+]2CC2CCC2)n1 ZINC000257238104 190018043 /nfs/dbraw/zinc/01/80/43/190018043.db2.gz HJPVFLMKYXXGHJ-QGZVFWFLSA-N 1 0 287.407 2.655 40 0 CFABRO CC(C)n1nccc1C[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000257243361 190018453 /nfs/dbraw/zinc/01/84/53/190018453.db2.gz IGPBAIBQMQDIHM-CQSZACIVSA-N 1 0 285.395 2.634 40 0 CFABRO Cc1n[nH]cc1-c1cnc([C@H]2CCC[N@@H+](C(C)C)C2)cn1 ZINC000257251943 190019790 /nfs/dbraw/zinc/01/97/90/190019790.db2.gz JSXZUVQHSMZDKW-ZDUSSCGKSA-N 1 0 285.395 2.763 40 0 CFABRO c1ccc(Nc2cccc(C[C@@H]3CCC[NH2+]C3)n2)nc1 ZINC000257285160 190026868 /nfs/dbraw/zinc/02/68/68/190026868.db2.gz PFXAYQPDSROBKV-ZDUSSCGKSA-N 1 0 268.364 2.762 40 0 CFABRO [NH3+][C@@H]1CCC[C@@H](Nc2ccccc2Cc2ccccc2)[C@@H]1O ZINC000257268582 190024287 /nfs/dbraw/zinc/02/42/87/190024287.db2.gz MMHOQLISOSGWRK-BHIYHBOVSA-N 1 0 296.414 2.930 40 0 CFABRO Cc1cc(Nc2cccc(C3CC[NH2+]CC3)n2)no1 ZINC000257291369 190027905 /nfs/dbraw/zinc/02/79/05/190027905.db2.gz QGQKUYSJMFGIQA-UHFFFAOYSA-N 1 0 258.325 2.589 40 0 CFABRO CCCn1nccc1-c1nccnc1CC1CC[NH+](C)CC1 ZINC000257291243 190028090 /nfs/dbraw/zinc/02/80/90/190028090.db2.gz QGFHKXAIGYUGKL-UHFFFAOYSA-N 1 0 299.422 2.634 40 0 CFABRO Cc1cccnc1C[N@H+]1CCN(C)[C@H](c2ccccc2)C1 ZINC000257300806 190028988 /nfs/dbraw/zinc/02/89/88/190028988.db2.gz RVSWXXOCZFCNOX-SFHVURJKSA-N 1 0 281.403 2.879 40 0 CFABRO CC(C)c1cc(C(=O)N2CCC[C@]3(C)[NH2+]CCC[C@@H]23)on1 ZINC000257297386 190029757 /nfs/dbraw/zinc/02/97/57/190029757.db2.gz RHADVFVKRFZVOE-ZBFHGGJFSA-N 1 0 291.395 2.545 40 0 CFABRO C[NH+]1CCC2(CO[C@H](Cc3cccc(F)c3)C2)CC1 ZINC000257311184 190031896 /nfs/dbraw/zinc/03/18/96/190031896.db2.gz UIHWIOAUESFHRG-OAHLLOKOSA-N 1 0 263.356 2.869 40 0 CFABRO Cc1c[nH]c([C@@H]2CCC[N@@H+](Cc3ccnn3C(C)C)C2)n1 ZINC000257315701 190032702 /nfs/dbraw/zinc/03/27/02/190032702.db2.gz VCLQDCNLQORPCV-CQSZACIVSA-N 1 0 287.411 2.875 40 0 CFABRO Cc1cnc(-c2cc(C)nc([C@@H]3CCC[NH2+]C3)n2)s1 ZINC000257326682 190034987 /nfs/dbraw/zinc/03/49/87/190034987.db2.gz WYERVJLFAJGEKZ-LLVKDONJSA-N 1 0 274.393 2.684 40 0 CFABRO c1cn2cnc([C@H]3CC[N@@H+](Cc4cncs4)C3)c2s1 ZINC000257330956 190035819 /nfs/dbraw/zinc/03/58/19/190035819.db2.gz XQTJUZSFKBUKQV-JTQLQIEISA-N 1 0 290.417 2.842 40 0 CFABRO CN(C)c1cc([C@@H]2CCC[N@H+](Cc3ccncc3)C2)ccn1 ZINC000257336231 190036391 /nfs/dbraw/zinc/03/63/91/190036391.db2.gz YNPLMHUMYMLXTK-QGZVFWFLSA-N 1 0 296.418 2.922 40 0 CFABRO Cc1nc(CN2CC[C@@H]3[C@H]2CC[N@H+]3CC(C)C)cs1 ZINC000306125803 382452320 /nfs/dbraw/zinc/45/23/20/382452320.db2.gz DCUUCSAEYIKSSC-HUUCEWRRSA-N 1 0 279.453 2.756 40 0 CFABRO [NH3+]CCSc1n[nH]c(-c2ccc(Cl)cc2Cl)n1 ZINC000224978835 382812502 /nfs/dbraw/zinc/81/25/02/382812502.db2.gz GAWSWOJFYGHLTE-UHFFFAOYSA-N 1 0 289.191 2.829 40 0 CFABRO COc1ccc(C[NH2+]Cc2cnn(C(C)C)c2)cc1 ZINC000226237628 382825349 /nfs/dbraw/zinc/82/53/49/382825349.db2.gz FBNJKNXWUOXONL-UHFFFAOYSA-N 1 0 259.353 2.762 40 0 CFABRO O[C@H]1CCCC[C@H]1[NH+]1CCC(c2ccccn2)CC1 ZINC000257232701 383493673 /nfs/dbraw/zinc/49/36/73/383493673.db2.gz GMAHBLDSRWHHLL-CVEARBPZSA-N 1 0 260.381 2.565 40 0 CFABRO Cc1ccc(C[N@@H+](C)[C@@H]2CCCN(c3ccccn3)C2)cn1 ZINC000257259909 383494610 /nfs/dbraw/zinc/49/46/10/383494610.db2.gz LAQAGBCTFFFWSE-QGZVFWFLSA-N 1 0 296.418 2.886 40 0 CFABRO Cc1ncc(-c2nccnc2[C@H]2CCC[N@@H+](C(C)C)C2)n1C ZINC000257298571 383495313 /nfs/dbraw/zinc/49/53/13/383495313.db2.gz RMIBPNNTSWYKLT-AWEZNQCLSA-N 1 0 299.422 2.773 40 0 CFABRO Cc1ccc(-[n+]2sc(N)nc2-c2ccccc2)cc1 ZINC000000332308 393449851 /nfs/dbraw/zinc/44/98/51/393449851.db2.gz GZWPHBSURODBGG-UHFFFAOYSA-O 1 0 268.365 2.977 40 0 CFABRO CC[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNC(=O)C1CCCCC1 ZINC000008635815 393469156 /nfs/dbraw/zinc/46/91/56/393469156.db2.gz SDNOKPFTRLZZJR-CWRNSKLLSA-N 1 0 278.440 2.803 40 0 biogenic,in-vitro CFABRO CC(C)(C)NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038832326 393538937 /nfs/dbraw/zinc/53/89/37/393538937.db2.gz YWSXBENQSIQFNS-HNNXBMFYSA-N 1 0 274.408 2.813 40 0 CFABRO Brc1ccccc1C[C@@H]1CCC[NH2+]C1 ZINC000060164771 393625361 /nfs/dbraw/zinc/62/53/61/393625361.db2.gz IDXNIANQBPVDPM-JTQLQIEISA-N 1 0 254.171 2.991 40 0 CFABRO CC[C@H]([NH2+]C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000072207686 393642350 /nfs/dbraw/zinc/64/23/50/393642350.db2.gz WHJWREPZZGMRAR-NEPJUHHUSA-N 1 0 256.390 2.632 40 0 CFABRO CC(C)[N@@H+]1CCCC[C@H]1c1ccc(N2CCOCC2)nc1 ZINC000072216183 393644935 /nfs/dbraw/zinc/64/49/35/393644935.db2.gz AHKZVUHZUXFBLF-INIZCTEOSA-N 1 0 289.423 2.854 40 0 CFABRO CN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCC[NH2+]1 ZINC000072214481 393645083 /nfs/dbraw/zinc/64/50/83/393645083.db2.gz KVRZVLOPJSUHAZ-GFCCVEGCSA-N 1 0 277.368 2.877 40 0 CFABRO CCC[N@@H+]1CCC[C@@H]1c1cnc(N2CCOCC2)cc1C ZINC000072219401 393646462 /nfs/dbraw/zinc/64/64/62/393646462.db2.gz WBEOBEAUUPXNGL-MRXNPFEDSA-N 1 0 289.423 2.774 40 0 CFABRO C[C@@H]([NH3+])c1ccc(N2CCc3ccccc3C2)nc1 ZINC000072225771 393647775 /nfs/dbraw/zinc/64/77/75/393647775.db2.gz VQHNJBCYLSLUGZ-GFCCVEGCSA-N 1 0 253.349 2.664 40 0 CFABRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC000083552561 393744529 /nfs/dbraw/zinc/74/45/29/393744529.db2.gz AOGFCANIWBCDTA-AWEZNQCLSA-N 1 0 294.370 2.925 40 0 CFABRO Brc1cccc(COC2CC3(C[NH2+]C3)C2)c1 ZINC000096509002 393834509 /nfs/dbraw/zinc/83/45/09/393834509.db2.gz DCYYBYLYLGXRNT-UHFFFAOYSA-N 1 0 282.181 2.718 40 0 CFABRO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH3+])C[C@@H](C(F)(F)F)C1 ZINC000225605883 393768722 /nfs/dbraw/zinc/76/87/22/393768722.db2.gz IGLQMKSPQXOIJS-HLTSFMKQSA-N 1 0 282.306 2.569 40 0 CFABRO Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3c2ncc(C)cn2)o1 ZINC000096038570 393814539 /nfs/dbraw/zinc/81/45/39/393814539.db2.gz IZMZZAPECJEEMO-HOTGVXAUSA-N 1 0 298.390 2.540 40 0 CFABRO FC1(F)CC[NH2+]C[C@]12CCN(c1ccccc1)C2 ZINC000096078134 393816314 /nfs/dbraw/zinc/81/63/14/393816314.db2.gz FBSQOUNKDUCPEP-ZDUSSCGKSA-N 1 0 252.308 2.512 40 0 CFABRO CCOCC[C@@H]1Cn2cccc2C[N@@H+](C2CCC2)C1 ZINC000585095598 395100072 /nfs/dbraw/zinc/10/00/72/395100072.db2.gz ZPILDNFUOMWSLP-CQSZACIVSA-N 1 0 262.397 2.899 40 0 CFABRO CCO[C@@H]1C[C@H]2c3ccccc3[C@@H]1c1cccc[n+]12 ZINC000001564560 286412474 /nfs/dbraw/zinc/41/24/74/286412474.db2.gz NUISXXHVRQJQAG-GVDBMIGSSA-N 1 0 252.337 2.818 40 0 CFABRO Cc1ccc2c(c1)N1C(=O)OC[C@@H]1CC[N@@H+](CC1CC1)C2 ZINC000225488157 292336041 /nfs/dbraw/zinc/33/60/41/292336041.db2.gz HUFBEKVAIYBZDF-HNNXBMFYSA-N 1 0 286.375 2.936 40 0 biogenic,in-vitro CFABRO CCC(CC)[NH2+][C@@H](CC)COC(=O)c1ccc(N)cc1 ZINC000001995955 169765871 /nfs/dbraw/zinc/76/58/71/169765871.db2.gz WDGAXBKMTIFEFX-HNNXBMFYSA-N 1 0 278.396 2.982 40 0 CFABRO Clc1ccc(C[n+]2ccccc2)c2nsnc21 ZINC000004712820 170003679 /nfs/dbraw/zinc/00/36/79/170003679.db2.gz PAWFSCVUPXXUCZ-UHFFFAOYSA-N 1 0 262.745 2.681 40 0 CFABRO C[C@H]1CCC[C@H](C)[NH+]1C[C@H](O)COCc1ccccc1F ZINC000005524242 170107978 /nfs/dbraw/zinc/10/79/78/170107978.db2.gz AXBWTBDQEIFRII-DZKIICNBSA-N 1 0 295.398 2.966 40 0 CFABRO C[C@@H]1C[C@@H](C)C[NH+](C[C@H](O)COc2ccc(F)cc2)C1 ZINC000006007746 170168162 /nfs/dbraw/zinc/16/81/62/170168162.db2.gz JFVBJQRIVRCLHX-NFAWXSAZSA-N 1 0 281.371 2.543 40 0 CFABRO O[C@@H](C[n+]1ccc2ccccc2c1)c1ccccc1 ZINC000006582106 170215935 /nfs/dbraw/zinc/21/59/35/170215935.db2.gz XPQOFPYAHANAEL-KRWDZBQOSA-N 1 0 250.321 2.861 40 0 CFABRO Cc1cccc(NC(=S)NC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000009876124 170388557 /nfs/dbraw/zinc/38/85/57/170388557.db2.gz BZJXWFILOYBWAF-CYBMUJFWSA-N 1 0 277.437 2.623 40 0 CFABRO Cc1ccc(NC(=O)COc2ccc(C[NH3+])cc2)cc1C ZINC000022216982 171375769 /nfs/dbraw/zinc/37/57/69/171375769.db2.gz OLMLBTMVWPGVOY-UHFFFAOYSA-N 1 0 284.359 2.780 40 0 CFABRO Cc1cc([C@H]([NH3+])CNC(=O)OC(C)(C)C)ccc1F ZINC000034781557 171866763 /nfs/dbraw/zinc/86/67/63/171866763.db2.gz RPMXTRFQCUSGND-GFCCVEGCSA-N 1 0 268.332 2.659 40 0 CFABRO O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)c1cnccn1 ZINC000035311235 172122152 /nfs/dbraw/zinc/12/21/52/172122152.db2.gz JPLYAFNFQPAYGT-UHFFFAOYSA-N 1 0 296.374 2.715 40 0 CFABRO COc1ccc2[nH]c([C@H]3CC[N@H+](CC4CC4)C3)nc2c1 ZINC000035446816 172202854 /nfs/dbraw/zinc/20/28/54/172202854.db2.gz RLTHDSHIECSVKT-LBPRGKRZSA-N 1 0 271.364 2.771 40 0 biogenic,in-vitro CFABRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000038092777 174107063 /nfs/dbraw/zinc/10/70/63/174107063.db2.gz SFFJIQODSLIJNI-CABZTGNLSA-N 1 0 254.761 2.501 40 0 CFABRO CCOc1ccc([C@@H](C[NH3+])N2CCC(C)CC2)cc1 ZINC000038827575 174156238 /nfs/dbraw/zinc/15/62/38/174156238.db2.gz MUXBGKIJXFENMZ-MRXNPFEDSA-N 1 0 262.397 2.817 40 0 CFABRO CC(C)(C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038832325 174156973 /nfs/dbraw/zinc/15/69/73/174156973.db2.gz YWSXBENQSIQFNS-OAHLLOKOSA-N 1 0 274.408 2.813 40 0 CFABRO [NH3+]CCN(Cc1cccc(C(F)(F)F)c1)C1CC1 ZINC000041160929 174502837 /nfs/dbraw/zinc/50/28/37/174502837.db2.gz GLHZFLPHNVLMPN-UHFFFAOYSA-N 1 0 258.287 2.629 40 0 CFABRO CC(C)(C)OC(=O)N1C[C@@H](c2ccccc2)C[C@H]([NH3+])C1 ZINC000044136101 175145973 /nfs/dbraw/zinc/14/59/73/175145973.db2.gz BUYRRQKPBSWKQI-KBPBESRZSA-N 1 0 276.380 2.738 40 0 CFABRO CC1(C)[NH2+]CCO[C@@H]1c1cccc(Br)c1 ZINC000071601290 176228253 /nfs/dbraw/zinc/22/82/53/176228253.db2.gz IRXZBENCDALEJM-LLVKDONJSA-N 1 0 270.170 2.889 40 0 CFABRO CC1(C)[NH2+]CCO[C@H]1c1ccccc1Br ZINC000071601319 176228401 /nfs/dbraw/zinc/22/84/01/176228401.db2.gz KSXAIJANNQJAAW-NSHDSACASA-N 1 0 270.170 2.889 40 0 CFABRO [NH3+]Cc1cnc2ccc(OCC(F)(F)F)cc2c1 ZINC000072226732 176343155 /nfs/dbraw/zinc/34/31/55/176343155.db2.gz QQIWQOCIPVRAND-UHFFFAOYSA-N 1 0 256.227 2.635 40 0 CFABRO CC(C)Oc1ccc(-c2noc([C@@H]3CCC[NH2+]C3)n2)cc1 ZINC000072226847 176343317 /nfs/dbraw/zinc/34/33/17/176343317.db2.gz YJSGAOQFTUOONB-CYBMUJFWSA-N 1 0 287.363 2.991 40 0 CFABRO CSc1ccc(-c2noc([C@H]3CCC[NH2+]C3)n2)cc1 ZINC000072226844 176343357 /nfs/dbraw/zinc/34/33/57/176343357.db2.gz FNZMLDJTYGHDLL-NSHDSACASA-N 1 0 275.377 2.926 40 0 CFABRO C[NH+]1CCC(c2cccc(Br)n2)CC1 ZINC000072343815 176371869 /nfs/dbraw/zinc/37/18/69/176371869.db2.gz HBOJNFXMGHTSCI-UHFFFAOYSA-N 1 0 255.159 2.653 40 0 CFABRO CCc1nccn1-c1cncc([C@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000072355531 176374775 /nfs/dbraw/zinc/37/47/75/176374775.db2.gz YBNNBJFEKAMTQC-AWEZNQCLSA-N 1 0 299.422 2.813 40 0 CFABRO Cc1nc(Nc2nccs2)cc([C@@H]2CCC[N@H+]2C)n1 ZINC000072360115 176377103 /nfs/dbraw/zinc/37/71/03/176377103.db2.gz HPZBMMGVXLWMBI-NSHDSACASA-N 1 0 275.381 2.752 40 0 CFABRO Cc1ccnc(C2CC[NH+](CC3(O)CCCCC3)CC2)n1 ZINC000072366723 176381557 /nfs/dbraw/zinc/38/15/57/176381557.db2.gz RXNWXFPRTNBSLU-UHFFFAOYSA-N 1 0 289.423 2.660 40 0 CFABRO c1cc(C[N@@H+]2CCC[C@H](c3cnccn3)C2)cs1 ZINC000072369368 176384393 /nfs/dbraw/zinc/38/43/93/176384393.db2.gz XESIHCYDBXUAQB-ZDUSSCGKSA-N 1 0 259.378 2.918 40 0 CFABRO Cc1cc(C)nc(Nc2cccc([C@@H]3CCC[NH2+]3)n2)n1 ZINC000072376496 176385330 /nfs/dbraw/zinc/38/53/30/176385330.db2.gz HBDWSXZULDQAFE-LBPRGKRZSA-N 1 0 269.352 2.657 40 0 CFABRO Cc1cc(Nc2ccccn2)nc([C@H]2CCCC[NH2+]2)n1 ZINC000072380749 176387388 /nfs/dbraw/zinc/38/73/88/176387388.db2.gz KWLFLGKKRDWXQK-GFCCVEGCSA-N 1 0 269.352 2.738 40 0 CFABRO c1csc(C[C@H]2CC[N@H+](Cc3ccccn3)C2)n1 ZINC000072381596 176387630 /nfs/dbraw/zinc/38/76/30/176387630.db2.gz NWDUODCQMOEIEX-GFCCVEGCSA-N 1 0 259.378 2.603 40 0 CFABRO Cc1cncc([C@@H]2CCC[N@H+](Cc3ccncc3)C2)n1 ZINC000072385023 176389508 /nfs/dbraw/zinc/38/95/08/176389508.db2.gz YTQOOMBGGXOPPO-OAHLLOKOSA-N 1 0 268.364 2.560 40 0 CFABRO Cc1c[nH]nc1[C@H]1CC[N@@H+](Cc2nc3ccccc3n2C)C1 ZINC000072385298 176389945 /nfs/dbraw/zinc/38/99/45/176389945.db2.gz ONQDJEVMIVSMMR-ZDUSSCGKSA-N 1 0 295.390 2.594 40 0 CFABRO Fc1cccc(C[N@@H+]2CCC[C@H](c3cnccn3)C2)c1 ZINC000072385353 176389960 /nfs/dbraw/zinc/38/99/60/176389960.db2.gz RDZQHGQUPUKDDD-AWEZNQCLSA-N 1 0 271.339 2.995 40 0 CFABRO Cn1cc(C[N@@H+]2CC[C@@H](c3cc[nH]n3)C2)c2ccccc21 ZINC000072386181 176390842 /nfs/dbraw/zinc/39/08/42/176390842.db2.gz CIZSPDJWRMJPGN-CYBMUJFWSA-N 1 0 280.375 2.891 40 0 CFABRO Cc1c[nH]nc1[C@@]1(C)CCC[N@H+](Cc2cccnc2)C1 ZINC000072388726 176393770 /nfs/dbraw/zinc/39/37/70/176393770.db2.gz ZHWULGCUEDKVID-INIZCTEOSA-N 1 0 270.380 2.667 40 0 CFABRO COc1ccc2[nH]c(C[N@@H+]3CCC[C@H](CO)C3)c(C)c2c1 ZINC000072397810 176395442 /nfs/dbraw/zinc/39/54/42/176395442.db2.gz KKXAXFFGYJHZDY-ZDUSSCGKSA-N 1 0 288.391 2.689 40 0 CFABRO CCOc1ccccc1NC(=O)CC1CC[NH+](C)CC1 ZINC000074921017 176635796 /nfs/dbraw/zinc/63/57/96/176635796.db2.gz QZWNPCOPPRVEQO-UHFFFAOYSA-N 1 0 276.380 2.756 40 0 CFABRO CCCNc1ncc(C[NH2+]CCc2ccccc2F)cn1 ZINC000062717696 262302421 /nfs/dbraw/zinc/30/24/21/262302421.db2.gz XCCIPFFFEXNPAJ-UHFFFAOYSA-N 1 0 288.370 2.770 40 0 CFABRO CC(C)Nc1ncc(C[NH2+]CCc2ccccc2F)cn1 ZINC000062717622 262302437 /nfs/dbraw/zinc/30/24/37/262302437.db2.gz AVDRSZIFPBUSJU-UHFFFAOYSA-N 1 0 288.370 2.768 40 0 CFABRO CC(C)CN1c2ccccc2C2(CC[NH2+]CC2)CC1=O ZINC000096243951 275581284 /nfs/dbraw/zinc/58/12/84/275581284.db2.gz KCFMTCRHGCZKEL-UHFFFAOYSA-N 1 0 272.392 2.701 40 0 CFABRO C[NH+]1CCC(C(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000174384440 277024852 /nfs/dbraw/zinc/02/48/52/277024852.db2.gz UOSZKSAXUNGNTG-MRXNPFEDSA-N 1 0 272.392 2.522 40 0 CFABRO C[NH+]1CCC2(CC1)CC(=O)c1cccc(Cl)c1O2 ZINC000205213612 277035452 /nfs/dbraw/zinc/03/54/52/277035452.db2.gz FTGWZPCGEXWCBG-UHFFFAOYSA-N 1 0 265.740 2.770 40 0 CFABRO CC(C)C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000043323697 277422704 /nfs/dbraw/zinc/42/27/04/277422704.db2.gz IYSSNDNZJKNZSX-GFCCVEGCSA-N 1 0 256.390 2.632 40 0 CFABRO CC(C)c1ccc([C@H](O)C2(C[NH3+])CCOCC2)cc1 ZINC000085395750 278050397 /nfs/dbraw/zinc/05/03/97/278050397.db2.gz SQJGVSUPEWHUHB-HNNXBMFYSA-N 1 0 263.381 2.599 40 0 CFABRO CC1=N[C@@H]2CCCC[C@@H]2NC(=[NH2+])C1c1ccccc1 ZINC000013637117 278511962 /nfs/dbraw/zinc/51/19/62/278511962.db2.gz NUSFVXNMUSUPTH-KGLIPLIRSA-N 1 0 255.365 2.689 40 0 CFABRO Cc1nc(NC2CCCCC2)cc([C@@H]2CCC[NH2+]2)n1 ZINC000257233655 281974074 /nfs/dbraw/zinc/97/40/74/281974074.db2.gz GQDKFBWNIRWGOL-ZDUSSCGKSA-N 1 0 260.385 2.954 40 0 CFABRO COc1ccc2c(c1O)[C@@]13CC=CC=C1[C@@H](C2)[N@H+](C)CC3 ZINC000038637538 295277676 /nfs/dbraw/zinc/27/76/76/295277676.db2.gz ONYKSPDQQPOMEU-RDTXWAMCSA-N 1 0 283.371 2.785 40 0 biogenic,in-vitro CFABRO Cc1ccc(CCC(=O)NCCC[NH+]2CCCC2)cc1C ZINC000224657563 327938899 /nfs/dbraw/zinc/93/88/99/327938899.db2.gz RCIIZNCPGXGXGE-UHFFFAOYSA-N 1 0 288.435 2.838 40 0 CFABRO Cn1cccc1C[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000092788968 327195325 /nfs/dbraw/zinc/19/53/25/327195325.db2.gz KXIUVAFPFMPGDI-GFCCVEGCSA-N 1 0 261.394 2.861 40 0 CFABRO C[C@]1(C[NH3+])CN(Cc2ccccc2)C[C@@H]1C(F)(F)F ZINC000228905104 525245001 /nfs/dbraw/zinc/24/50/01/525245001.db2.gz YRYXNWZNKHBXMA-STQMWFEESA-N 1 0 272.314 2.646 40 0 CFABRO C[C@]1(CO)C[N@H+](Cc2ccccc2)C[C@@H]1C(F)(F)F ZINC000228905402 525274862 /nfs/dbraw/zinc/27/48/62/525274862.db2.gz NEPDTEDKCCEHIC-QWHCGFSZSA-N 1 0 273.298 2.679 40 0 CFABRO c1[nH]c2ccccc2c1-c1noc(C2CC[NH2+]CC2)n1 ZINC000228922186 526392034 /nfs/dbraw/zinc/39/20/34/526392034.db2.gz INJZYUREVOZLSD-UHFFFAOYSA-N 1 0 268.320 2.685 40 0 CFABRO [NH3+][C@@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OCc1ccccc1 ZINC000328578042 527377012 /nfs/dbraw/zinc/37/70/12/527377012.db2.gz NGAGLLKONFYUIP-QKDCVEJESA-N 1 0 274.364 2.667 40 0 CFABRO CC[NH+](CC)CCC[C@H](C)Nc1nc(C)cc(COC)n1 ZINC000001873626 528118418 /nfs/dbraw/zinc/11/84/18/528118418.db2.gz SEFHFTAMWTUADR-ZDUSSCGKSA-N 1 0 294.443 2.854 40 0 CFABRO CC[C@@H](C)Nc1nc(NCc2ccco2)cc(C2CC2)[nH+]1 ZINC000329071645 570338129 /nfs/dbraw/zinc/33/81/29/570338129.db2.gz ZSENVGDXQHOIPC-LLVKDONJSA-N 1 0 286.379 2.613 40 0 CFABRO CC(C)[C@H]([NH3+])c1nc(COc2ccc(Cl)cc2)n[nH]1 ZINC000095534700 185005894 /nfs/dbraw/zinc/00/58/94/185005894.db2.gz ZTOYTMGWVYRMMP-LBPRGKRZSA-N 1 0 280.759 2.693 40 0 CFABRO CC(C)[C@H]([NH3+])c1nnc(-c2ccc(Cl)cc2)[nH]1 ZINC000095534718 185007315 /nfs/dbraw/zinc/00/73/15/185007315.db2.gz IPFODOVRLSRIQJ-JTQLQIEISA-N 1 0 250.733 2.781 40 0 CFABRO CC(C)[C@@H]([NH3+])c1nc(-c2ccccc2Cl)n[nH]1 ZINC000095534761 185008094 /nfs/dbraw/zinc/00/80/94/185008094.db2.gz QNXLXANOKTTXCC-SNVBAGLBSA-N 1 0 250.733 2.781 40 0 CFABRO [NH3+][C@H](Cc1ccccc1)c1nnc(-c2ccc(F)cc2)[nH]1 ZINC000095534819 185008701 /nfs/dbraw/zinc/00/87/01/185008701.db2.gz XFMIYJLMQSWBML-CQSZACIVSA-N 1 0 282.322 2.853 40 0 CFABRO Cn1ncc2c1C[N@@H+](C1CCCC1)C[C@@H]2COCC1CC1 ZINC000096044661 185071765 /nfs/dbraw/zinc/07/17/65/185071765.db2.gz XFWYOMVPAVMLLK-CQSZACIVSA-N 1 0 289.423 2.689 40 0 CFABRO CCn1cc2c(n1)C[N@@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC000096060436 185081529 /nfs/dbraw/zinc/08/15/29/185081529.db2.gz WCKTXCKUECPZJM-OAHLLOKOSA-N 1 0 289.423 2.639 40 0 CFABRO Cc1ccc(C[N@@H+]2CC[C@H](O)[C@@H]2Cc2cccnc2)s1 ZINC000096061634 185082687 /nfs/dbraw/zinc/08/26/87/185082687.db2.gz QXOFXMXMJWGOIO-HOTGVXAUSA-N 1 0 288.416 2.629 40 0 CFABRO COc1ccc(C[N@@H+]2CC[C@@H](O)[C@@H]2Cc2ccccc2)cc1 ZINC000096061561 185083089 /nfs/dbraw/zinc/08/30/89/185083089.db2.gz XSSHCQUPRZUNLI-RBUKOAKNSA-N 1 0 297.398 2.873 40 0 CFABRO c1ccc(CO[C@@H]2CO[C@]3(CC[N@H+](CC4CC4)C3)C2)cc1 ZINC000096072379 185087881 /nfs/dbraw/zinc/08/78/81/185087881.db2.gz HYELJXGNOUSMAT-ZWKOTPCHSA-N 1 0 287.403 2.847 40 0 CFABRO CC[N@@H+]1CC[C@@]12CCN(C(=O)c1cnc3ccccc3c1)C2 ZINC000096075911 185088918 /nfs/dbraw/zinc/08/89/18/185088918.db2.gz FCHXYHNPZGSQQL-GOSISDBHSA-N 1 0 295.386 2.545 40 0 CFABRO CCOC[C@@H]1C[N@H+](CCc2ccccc2)Cc2c1cnn2C ZINC000096089252 185094202 /nfs/dbraw/zinc/09/42/02/185094202.db2.gz CIPJYCLBUWHYLT-INIZCTEOSA-N 1 0 299.418 2.599 40 0 CFABRO CO[C@@H]1COC2(C1)CC[NH+](Cc1ccc(C)s1)CC2 ZINC000096106522 185098986 /nfs/dbraw/zinc/09/89/86/185098986.db2.gz LJDWJGANVVQYIX-ZDUSSCGKSA-N 1 0 281.421 2.826 40 0 CFABRO COC[C@@]12CCO[C@@H]1CC[N@H+](Cc1sccc1C)C2 ZINC000096110331 185101353 /nfs/dbraw/zinc/10/13/53/185101353.db2.gz HSOIYSIZFLLJNV-CABCVRRESA-N 1 0 281.421 2.684 40 0 CFABRO C[NH2+]CCCc1cnn(CCCc2ccccc2)c1 ZINC000071151572 346921111 /nfs/dbraw/zinc/92/11/11/346921111.db2.gz VWXQVKHCKNWTSV-UHFFFAOYSA-N 1 0 257.381 2.668 40 0 CFABRO CCNc1nc(N2Cc3ccccc3C[C@H]2C)cc(CC)[nH+]1 ZINC000328967212 136377086 /nfs/dbraw/zinc/37/70/86/136377086.db2.gz CQXSGNJJXYRORS-CYBMUJFWSA-N 1 0 296.418 2.844 40 0 CFABRO CC1CC(C[NH3+])([C@H](O)c2cccc(Br)c2)C1 ZINC000085395709 179049120 /nfs/dbraw/zinc/04/91/20/179049120.db2.gz WMBPOQDOXNIVSO-BKDHPRRPSA-N 1 0 284.197 2.858 40 0 CFABRO Brc1ccc([C@H]2C[C@H]2C[NH+]2CCOCC2)cc1 ZINC000217808219 348165048 /nfs/dbraw/zinc/16/50/48/348165048.db2.gz IPELTGMLRHJEAJ-GXTWGEPZSA-N 1 0 296.208 2.885 40 0 CFABRO Fc1cc(F)cc(N2CC[NH2+][C@H]3CCCC[C@H]32)c1 ZINC000218836463 348167846 /nfs/dbraw/zinc/16/78/46/348167846.db2.gz TZHBYZDJUDYFKG-UONOGXRCSA-N 1 0 252.308 2.686 40 0 CFABRO FC[C@@H]1C[NH2+]C[C@H]1c1cc(Br)cs1 ZINC000409423111 348600722 /nfs/dbraw/zinc/60/07/22/348600722.db2.gz OWBLPHWJHMUKFF-HTRCEHHLSA-N 1 0 264.163 2.783 40 0 CFABRO [NH3+]C[C@@H](c1ccc(N2CCCCC2)o1)N1CCCCC1 ZINC000409437998 348602542 /nfs/dbraw/zinc/60/25/42/348602542.db2.gz BPBHEVOHIBDKKO-AWEZNQCLSA-N 1 0 277.412 2.756 40 0 CFABRO Cc1n[nH]c(C)c1C[N@@H+]1CCC[C@H](O)[C@@H]1Cc1ccccc1 ZINC000585275853 348738564 /nfs/dbraw/zinc/73/85/64/348738564.db2.gz FXJWRUHCSJZJCP-ROUUACIJSA-N 1 0 299.418 2.595 40 0 CFABRO OC1(COc2ccccc2F)CC[NH+](C2CCCC2)CC1 ZINC000585280879 348738927 /nfs/dbraw/zinc/73/89/27/348738927.db2.gz BCGIMEDOVUCPAE-UHFFFAOYSA-N 1 0 293.382 2.974 40 0 CFABRO Cc1ccc(C(=O)N2CCC[C@@]3(CC[N@H+]3C)C2)c(C)c1 ZINC000585102378 348734644 /nfs/dbraw/zinc/73/46/44/348734644.db2.gz YPRZPJTVLCJTST-QGZVFWFLSA-N 1 0 272.392 2.614 40 0 CFABRO c1ccc(CO[C@H]2CSC3(C[NH+](C4CCC4)C3)C2)nc1 ZINC000585105317 348734747 /nfs/dbraw/zinc/73/47/47/348734747.db2.gz SXOYVNLUELCKED-OAHLLOKOSA-N 1 0 290.432 2.711 40 0 CFABRO COc1cc(C[NH3+])c(NC(=O)OC(C)(C)C)cc1OC ZINC000090608810 180011905 /nfs/dbraw/zinc/01/19/05/180011905.db2.gz FIAMVENXIZRPPS-UHFFFAOYSA-N 1 0 282.340 2.510 40 0 CFABRO COCC[NH2+]Cc1cccn1Cc1ccccc1Cl ZINC000091002128 180084193 /nfs/dbraw/zinc/08/41/93/180084193.db2.gz OOERAMHVJSYZAQ-UHFFFAOYSA-N 1 0 278.783 2.926 40 0 CFABRO O=C1[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2CN1c1ccccc1 ZINC000107742839 186189058 /nfs/dbraw/zinc/18/90/58/186189058.db2.gz UDGWCHVTEADHMY-CZUORRHYSA-N 1 0 298.411 2.843 40 0 CFABRO Cc1cccc(CNc2cc(C3CC3)[nH+]c(NC3CC3)n2)c1 ZINC000329029284 202160772 /nfs/dbraw/zinc/16/07/72/202160772.db2.gz PZAVJEPOZQJLLO-UHFFFAOYSA-N 1 0 294.402 2.693 40 0 CFABRO O[C@@](Cc1ccccc1)(C1CCCCC1)[C@@H]1C[NH2+]CCO1 ZINC000242687269 541005891 /nfs/dbraw/zinc/00/58/91/541005891.db2.gz UCXZRTLZAKLHBM-ROUUACIJSA-N 1 0 289.419 2.529 40 0 CFABRO CCOC(=O)[C@]1(c2ccccc2)CCC[N@H+](C)CC1 ZINC000000000268 371508320 /nfs/dbraw/zinc/50/83/20/371508320.db2.gz WGJHHMKQBWSQIY-MRXNPFEDSA-N 1 0 261.365 2.603 40 0 in-man CFABRO CC(=O)O[C@H]1CC[N@@H+](CCc2ccccc2)[C@H](C)[C@H]1C ZINC000000111488 371532996 /nfs/dbraw/zinc/53/29/96/371532996.db2.gz YNNDIBSJMPQCKB-CPUCHLNUSA-N 1 0 275.392 2.891 40 0 CFABRO CCCC[NH2+]CC(=O)Nc1c(C)cccc1Cl ZINC000001841441 371708132 /nfs/dbraw/zinc/70/81/32/371708132.db2.gz VWYQKFLLGRBICZ-UHFFFAOYSA-N 1 0 254.761 2.977 40 0 in-man CFABRO COc1ccc(C(=O)CC[NH+]2CCC(C)CC2)cc1 ZINC000001667184 371693913 /nfs/dbraw/zinc/69/39/13/371693913.db2.gz LXDWDPXABLVFKC-UHFFFAOYSA-N 1 0 261.365 3.000 40 0 CFABRO C[NH+](C)CC[C@@H](C(=O)c1ccccc1)c1cccnc1 ZINC000001675609 371697418 /nfs/dbraw/zinc/69/74/18/371697418.db2.gz RGMASGQPVAQRAK-MRXNPFEDSA-N 1 0 268.360 3.000 40 0 CFABRO CC[NH+](CC)CCCNc1cccc2ccc(N)nc21 ZINC000001684898 371698202 /nfs/dbraw/zinc/69/82/02/371698202.db2.gz KCZAVKFYODXTHO-UHFFFAOYSA-N 1 0 272.396 2.961 40 0 CFABRO COc1cc2cccnc2c(NCCCCC[NH3+])c1 ZINC000001687511 371699070 /nfs/dbraw/zinc/69/90/70/371699070.db2.gz OQZUHQIQKBIAFZ-UHFFFAOYSA-N 1 0 259.353 2.784 40 0 CFABRO CC1CC[NH+](CCCOC(=O)c2ccccc2)CC1 ZINC000001706776 371700608 /nfs/dbraw/zinc/70/06/08/371700608.db2.gz QBFBLKZXJRVUFZ-UHFFFAOYSA-N 1 0 261.365 2.965 40 0 CFABRO COc1ccc(C[N@H+](C)CCc2ccc(O)cc2)cc1O ZINC000001719378 371701486 /nfs/dbraw/zinc/70/14/86/371701486.db2.gz FHNYYRUKKWUYDN-UHFFFAOYSA-N 1 0 287.359 2.781 40 0 CFABRO CCCCN1C=[NH+]c2ccc(NC(C)=O)c(N)c2C1 ZINC000001718148 371701707 /nfs/dbraw/zinc/70/17/07/371701707.db2.gz POSULNGIAZWQCT-UHFFFAOYSA-N 1 0 260.341 2.503 40 0 CFABRO CC[N@H+](CCC(=O)OC)Cc1ccnc2ccccc12 ZINC000001729568 371703255 /nfs/dbraw/zinc/70/32/55/371703255.db2.gz LRXIRERQQLRULJ-UHFFFAOYSA-N 1 0 272.348 2.620 40 0 CFABRO O=C(C[NH+]1CCCCCCC1)Nc1ccc2c(c1)OCO2 ZINC000004489201 371859456 /nfs/dbraw/zinc/85/94/56/371859456.db2.gz UOLCTWSCJUFMDI-UHFFFAOYSA-N 1 0 290.363 2.620 40 0 CFABRO CC(=O)O[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)[C@H]1C ZINC000004601842 371868376 /nfs/dbraw/zinc/86/83/76/371868376.db2.gz CESFOVNVFNXRAX-IOASZLSFSA-N 1 0 261.365 2.849 40 0 CFABRO c1ccc([C@@H]2[NH2+]CCc3cc4c(cc32)OCCO4)cc1 ZINC000011599082 371921314 /nfs/dbraw/zinc/92/13/14/371921314.db2.gz SMOKRLYMPVJFHB-KRWDZBQOSA-N 1 0 267.328 2.693 40 0 CFABRO COCc1ccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)o1 ZINC000013568222 372034444 /nfs/dbraw/zinc/03/44/44/372034444.db2.gz VNYDKHHKVGBFDB-CJNGLKHVSA-N 1 0 279.380 2.553 40 0 CFABRO C[N@@H+]1CCCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000013001341 372008968 /nfs/dbraw/zinc/00/89/68/372008968.db2.gz SPMSUZJBQHPBNH-UHFFFAOYSA-N 1 0 267.760 2.509 40 0 CFABRO O=C1CCCC[C@@H]2[C@@H](N1)[C@H](c1ccccc1)C[N@@H+]2CC1CC1 ZINC000019373775 372158237 /nfs/dbraw/zinc/15/82/37/372158237.db2.gz DGTYKMKSDZMXQK-SCTDSRPQSA-N 1 0 298.430 2.923 40 0 CFABRO CC1(C)Cc2nc(-c3cccnc3)ncc2[C@H]([NH3+])C1 ZINC000019461417 372166808 /nfs/dbraw/zinc/16/68/08/372166808.db2.gz IGFKEKOGXPSIGS-GFCCVEGCSA-N 1 0 254.337 2.511 40 0 CFABRO CCn1nc(C)c(C[N@@H+]2CCC[C@@H](c3cnccn3)C2)c1C ZINC000019523830 372173937 /nfs/dbraw/zinc/17/39/37/372173937.db2.gz JPTODEVEJYTLKZ-OAHLLOKOSA-N 1 0 299.422 2.689 40 0 CFABRO Cc1cc(C)c2c(=O)[nH]n([C@H]3C[C@H](C)[N@@H+](C)C[C@@H]3C)c2n1 ZINC000020389444 372237704 /nfs/dbraw/zinc/23/77/04/372237704.db2.gz DNSOMCZSWHTTIF-DRZSPHRISA-N 1 0 288.395 2.655 40 0 CFABRO COc1ccc(-c2nc3sccn3c2C[NH3+])cc1 ZINC000019767667 372183664 /nfs/dbraw/zinc/18/36/64/372183664.db2.gz XSLXUYDZXQPGHX-UHFFFAOYSA-N 1 0 259.334 2.530 40 0 CFABRO Cc1cccc(OC[C@H](O)C[NH2+]C2CCCCC2)c1C ZINC000026780458 372329382 /nfs/dbraw/zinc/32/93/82/372329382.db2.gz SGHGSIFVTCUKJV-MRXNPFEDSA-N 1 0 277.408 2.965 40 0 CFABRO CC(C)COc1ccccc1C[NH2+]C[C@@H]1CCCO1 ZINC000032113241 372428409 /nfs/dbraw/zinc/42/84/09/372428409.db2.gz BETPWKCOUJVJEL-HNNXBMFYSA-N 1 0 263.381 2.990 40 0 CFABRO Nc1ccccc1OC[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000033606857 372498744 /nfs/dbraw/zinc/49/87/44/372498744.db2.gz ARBZNWSAHIHYFO-HIFRSBDPSA-N 1 0 260.381 2.912 40 0 CFABRO [NH3+]Cc1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 ZINC000036720726 372587380 /nfs/dbraw/zinc/58/73/80/372587380.db2.gz IAYNRDKSUAQLFY-UHFFFAOYSA-N 1 0 290.750 2.816 40 0 CFABRO C[C@H](C[NH2+]CCc1ccccc1)C(=O)OC(C)(C)C ZINC000047219037 373084037 /nfs/dbraw/zinc/08/40/37/373084037.db2.gz LLQALGREUYTJBS-CYBMUJFWSA-N 1 0 263.381 2.797 40 0 CFABRO COc1ccc(-c2nnc([C@H]3CC[N@@H+](C(C)C)C3)o2)cc1 ZINC000049170158 373275212 /nfs/dbraw/zinc/27/52/12/373275212.db2.gz DKHMJLWLECAUKF-ZDUSSCGKSA-N 1 0 287.363 2.943 40 0 biogenic,in-vitro CFABRO CC(C)[C@H]([NH3+])C(=O)NCc1ccc(Cl)c(Cl)c1 ZINC000057571378 373600581 /nfs/dbraw/zinc/60/05/81/373600581.db2.gz QISUGRCULPFATD-NSHDSACASA-N 1 0 275.179 2.593 40 0 CFABRO Cc1c(C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)cnn1C ZINC000057605193 373601933 /nfs/dbraw/zinc/60/19/33/373601933.db2.gz BGCOMAQPRRTHHO-SFHVURJKSA-N 1 0 299.418 2.910 40 0 CFABRO O[C@H](C(c1ccccc1)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000066348265 373927920 /nfs/dbraw/zinc/92/79/20/373927920.db2.gz VSYNDOLFWJVQNK-WMZOPIPTSA-N 1 0 267.372 2.931 40 0 CFABRO [NH3+]C1CCN(Cc2ccc(C(F)(F)F)c(F)c2)CC1 ZINC000067801020 374003697 /nfs/dbraw/zinc/00/36/97/374003697.db2.gz RXXGHFWGYXAXMM-UHFFFAOYSA-N 1 0 276.277 2.768 40 0 CFABRO Clc1cc(Cl)c2c(c1)nccc2N1CC[NH2+]CC1 ZINC000068136445 374022173 /nfs/dbraw/zinc/02/21/73/374022173.db2.gz VSOITDZZFFENKT-UHFFFAOYSA-N 1 0 282.174 2.951 40 0 CFABRO [NH3+]Cc1cc(Br)ccc1Br ZINC000069626602 374081182 /nfs/dbraw/zinc/08/11/82/374081182.db2.gz HUNQPBCFWHODKV-UHFFFAOYSA-N 1 0 264.948 2.670 40 0 CFABRO OC[C@@H](c1cccc(C(F)(F)F)c1)[NH+]1CCCC1 ZINC000070453052 374180229 /nfs/dbraw/zinc/18/02/29/374180229.db2.gz YUWWJDCSVNEFAZ-LBPRGKRZSA-N 1 0 259.271 2.835 40 0 CFABRO O[C@@H]([C@H]1CCC[N@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000071790108 374225659 /nfs/dbraw/zinc/22/56/59/374225659.db2.gz LPHOHFFMCAPPFF-STQMWFEESA-N 1 0 273.298 2.822 40 0 CFABRO O=C([C@H]1CC[N@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000071790089 374225942 /nfs/dbraw/zinc/22/59/42/374225942.db2.gz OAYADUDYLHJCBQ-NSHDSACASA-N 1 0 257.255 2.640 40 0 CFABRO C[C@H](CN1C[C@H]2CCC[N@@H+]2C[C@@H]1C)c1ccccc1 ZINC000072324459 374246843 /nfs/dbraw/zinc/24/68/43/374246843.db2.gz DARBCOQPEQLZDT-HLLBOEOZSA-N 1 0 258.409 2.959 40 0 CFABRO FC1(F)CCN(c2cccc([C@@H]3CCC[NH2+]3)n2)CC1 ZINC000072386977 374248413 /nfs/dbraw/zinc/24/84/13/374248413.db2.gz FUXRXDPHMMTOSX-NSHDSACASA-N 1 0 267.323 2.742 40 0 CFABRO [NH3+]CCN(Cc1c(Cl)cccc1Cl)C1CC1 ZINC000079420174 374609463 /nfs/dbraw/zinc/60/94/63/374609463.db2.gz NXRGBPNXNQFGKY-UHFFFAOYSA-N 1 0 259.180 2.917 40 0 CFABRO CCN(Cc1ccc(Cl)cc1Cl)C(=O)[C@H](C)[NH3+] ZINC000079420271 374610795 /nfs/dbraw/zinc/61/07/95/374610795.db2.gz NVALDTMPIVASHW-QMMMGPOBSA-N 1 0 275.179 2.689 40 0 CFABRO COc1ccc(Cl)cc1NC(=O)[C@H]1CCC[N@H+](C)C1 ZINC000082325396 374736214 /nfs/dbraw/zinc/73/62/14/374736214.db2.gz GLQJLRBLJYULNM-JTQLQIEISA-N 1 0 282.771 2.629 40 0 CFABRO [NH3+]C[C@H]1COc2c(Br)cc(Cl)cc2C1 ZINC000095743785 375463661 /nfs/dbraw/zinc/46/36/61/375463661.db2.gz MKQLMYGVDFOVDU-LURJTMIESA-N 1 0 276.561 2.612 40 0 CFABRO C[NH+](C)C1CC2(C1)CCN(C(=O)c1cccc(F)c1)CC2 ZINC000096159209 375472274 /nfs/dbraw/zinc/47/22/74/375472274.db2.gz NHXLVOAODZOXCI-UHFFFAOYSA-N 1 0 290.382 2.772 40 0 CFABRO COC[C@H]1CC[C@H]2[C@H](CC[N@@H+]2Cc2ccc(C)s2)O1 ZINC000096186608 375475485 /nfs/dbraw/zinc/47/54/85/375475485.db2.gz OCNLNIAPHBZFQU-SNPRPXQTSA-N 1 0 281.421 2.825 40 0 CFABRO Cc1ccc(C[N@@H+]2CC[C@H]3[C@H]2CCN3c2ccc(C)nn2)o1 ZINC000096184857 375475761 /nfs/dbraw/zinc/47/57/61/375475761.db2.gz GXKDPDWGDDULGL-CVEARBPZSA-N 1 0 298.390 2.540 40 0 CFABRO COC[C@H]1CC[C@H]2[C@H](CC[N@@H+]2Cc2ccsc2)O1 ZINC000096186604 375475993 /nfs/dbraw/zinc/47/59/93/375475993.db2.gz OFLQFFJBUBYVTJ-RDBSUJKOSA-N 1 0 267.394 2.516 40 0 CFABRO c1cnc2c(c1)C[N@H+](CC1CC1)CCN2Cc1ccncc1 ZINC000096198978 375477403 /nfs/dbraw/zinc/47/74/03/375477403.db2.gz TWKBAZQXMSQQPM-UHFFFAOYSA-N 1 0 294.402 2.709 40 0 CFABRO CN1CC2(CC[NH+](Cc3ccc(Cl)c(F)c3)CC2)C1=O ZINC000096202813 375477496 /nfs/dbraw/zinc/47/74/96/375477496.db2.gz MVLWFMIGXMRZQT-UHFFFAOYSA-N 1 0 296.773 2.533 40 0 CFABRO c1cnc(N2CCC3(C=C[C@H]([NH+]4CCCC4)CC3)CC2)nc1 ZINC000096240264 375481260 /nfs/dbraw/zinc/48/12/60/375481260.db2.gz ZVVWHQAPQHUBFC-INIZCTEOSA-N 1 0 298.434 2.878 40 0 CFABRO c1cc(C[N@@H+]2CCc3ncnc(C4CC4)c3CC2)co1 ZINC000096255070 375481413 /nfs/dbraw/zinc/48/14/13/375481413.db2.gz RKICKRIVDGYPDT-UHFFFAOYSA-N 1 0 269.348 2.548 40 0 CFABRO O=C1N[C@@H](c2ccccc2)C12CC[NH+](CC1CCC1)CC2 ZINC000096244723 375481529 /nfs/dbraw/zinc/48/15/29/375481529.db2.gz IGXQOCVWXVTJNB-INIZCTEOSA-N 1 0 284.403 2.740 40 0 CFABRO CCOc1ncnc2c1CC[N@H+](Cc1cccs1)CC2 ZINC000096255596 375482276 /nfs/dbraw/zinc/48/22/76/375482276.db2.gz HXKGIKXEPHCYKA-UHFFFAOYSA-N 1 0 289.404 2.538 40 0 CFABRO C[N@@H+]1CCCN(c2c(O)ccc3ccccc32)CC1 ZINC000096305908 375483494 /nfs/dbraw/zinc/48/34/94/375483494.db2.gz INRXJVLWWVOKGJ-UHFFFAOYSA-N 1 0 256.349 2.687 40 0 CFABRO FC(F)(F)Cn1nccc1C[NH2+]CCc1ccccc1 ZINC000256050879 190003194 /nfs/dbraw/zinc/00/31/94/190003194.db2.gz GVUZTMLDADUCCW-UHFFFAOYSA-N 1 0 283.297 2.778 40 0 CFABRO COc1ccc(Oc2cccc([C@H]3C[NH2+]CCO3)n2)cc1 ZINC000257197704 190009865 /nfs/dbraw/zinc/00/98/65/190009865.db2.gz GTEORMYQZJOYMP-OAHLLOKOSA-N 1 0 286.331 2.543 40 0 CFABRO c1cncc(Oc2cccc([C@@H]3CCC[NH2+]C3)n2)c1 ZINC000257198249 190010451 /nfs/dbraw/zinc/01/04/51/190010451.db2.gz XDQWGFRYRSMNFS-GFCCVEGCSA-N 1 0 255.321 2.736 40 0 CFABRO CC(C)n1nccc1-c1cc(C2CC[NH2+]CC2)ccn1 ZINC000257202864 190010707 /nfs/dbraw/zinc/01/07/07/190010707.db2.gz ANSQEUAZUSMQSU-UHFFFAOYSA-N 1 0 270.380 2.993 40 0 CFABRO Cc1ccnc([C@@H]2CC[N@H+](Cc3cccc(F)c3)C2)n1 ZINC000257203019 190010709 /nfs/dbraw/zinc/01/07/09/190010709.db2.gz AOHXIVFVDRFJPB-CQSZACIVSA-N 1 0 271.339 2.914 40 0 CFABRO Cc1cnc([C@@H]2C[N@@H+](C3CCCCCC3)CCO2)cn1 ZINC000257201716 190011093 /nfs/dbraw/zinc/01/10/93/190011093.db2.gz AITACIPVHORDFN-INIZCTEOSA-N 1 0 275.396 2.881 40 0 CFABRO Cc1cc(-c2ncc[nH]2)nc([C@H]2CCC[N@H+]2C(C)C)n1 ZINC000257204237 190011725 /nfs/dbraw/zinc/01/17/25/190011725.db2.gz ATRIRPQNNNXWHT-CYBMUJFWSA-N 1 0 271.368 2.720 40 0 CFABRO Cc1c[nH]c([C@H]2CC[N@H+](CCc3ccc(F)cc3)C2)n1 ZINC000257211027 190012654 /nfs/dbraw/zinc/01/26/54/190012654.db2.gz BXFSRFJEYGNTRT-AWEZNQCLSA-N 1 0 273.355 2.889 40 0 CFABRO CNc1cc([C@H]2CCC[N@@H+]2Cc2ccccn2)ccn1 ZINC000257215177 190012802 /nfs/dbraw/zinc/01/28/02/190012802.db2.gz CPBLCXSBICEMKK-OAHLLOKOSA-N 1 0 268.364 2.855 40 0 CFABRO CC(C)[N@@H+]1CCC[C@@H](Cc2cncc(-c3cncn3C)n2)C1 ZINC000257213363 190013120 /nfs/dbraw/zinc/01/31/20/190013120.db2.gz CHGCINJTATUXQI-AWEZNQCLSA-N 1 0 299.422 2.540 40 0 CFABRO Cc1ccc(C[N@@H+]2CCC[C@H](c3ccnc(C)n3)C2)cn1 ZINC000257216942 190013957 /nfs/dbraw/zinc/01/39/57/190013957.db2.gz CWTZHUWDCALIRP-INIZCTEOSA-N 1 0 282.391 2.868 40 0 CFABRO CC(C)n1nccc1-c1nccnc1[C@H]1CCC[N@@H+]1C ZINC000257224170 190015346 /nfs/dbraw/zinc/01/53/46/190015346.db2.gz FAOPNKFXWXKARP-GFCCVEGCSA-N 1 0 271.368 2.688 40 0 CFABRO c1csc(C[N@H+]2CCC[C@H](Cc3cccnc3)C2)n1 ZINC000257224787 190015480 /nfs/dbraw/zinc/01/54/80/190015480.db2.gz FDIMCQYNZUPDST-CQSZACIVSA-N 1 0 273.405 2.993 40 0 CFABRO Cc1cc(-c2cc[nH]n2)nc([C@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000257226965 190015547 /nfs/dbraw/zinc/01/55/47/190015547.db2.gz FNAIKZYVQNADBL-ZDUSSCGKSA-N 1 0 285.395 2.763 40 0 CFABRO Cc1cc(CC[C@@H]2CCC[N@H+]2Cc2cnn(C)c2)ccn1 ZINC000257231014 190016499 /nfs/dbraw/zinc/01/64/99/190016499.db2.gz GEVARSUDPCKPCU-KRWDZBQOSA-N 1 0 284.407 2.721 40 0 CFABRO c1csc(C[N@H+]2CCC[C@@H](Cc3cc[nH]n3)C2)c1 ZINC000257234790 190016680 /nfs/dbraw/zinc/01/66/80/190016680.db2.gz GVCSGCRSWJWDGF-LBPRGKRZSA-N 1 0 261.394 2.926 40 0 CFABRO Cc1nc(Nc2ccccn2)cc([C@H]2CCCC[NH2+]2)n1 ZINC000257223462 190014490 /nfs/dbraw/zinc/01/44/90/190014490.db2.gz DXLUMQSAZHIDRK-GFCCVEGCSA-N 1 0 269.352 2.738 40 0 CFABRO CCCn1nccc1-c1cc(C)nc([C@H]2CCC[NH2+]C2)n1 ZINC000257252793 190020954 /nfs/dbraw/zinc/02/09/54/190020954.db2.gz JWEBPZREENCGIY-ZDUSSCGKSA-N 1 0 285.395 2.526 40 0 CFABRO c1cncc(CNc2cccc([C@H]3CCC[NH2+]3)n2)c1 ZINC000257246458 190018977 /nfs/dbraw/zinc/01/89/77/190018977.db2.gz IUFMRWNZFKTJEA-CYBMUJFWSA-N 1 0 254.337 2.513 40 0 CFABRO CC(C)[NH+]1CCC(Cc2cnc(-c3nccn3C)cn2)CC1 ZINC000257251922 190020002 /nfs/dbraw/zinc/02/00/02/190020002.db2.gz JSWDRQZVSCXKQC-UHFFFAOYSA-N 1 0 299.422 2.540 40 0 CFABRO CCn1cc(-c2cnc([C@H]3CCC[N@@H+](C(C)C)C3)cn2)cn1 ZINC000257263427 190022186 /nfs/dbraw/zinc/02/21/86/190022186.db2.gz LPWXKVQZIVDCCX-AWEZNQCLSA-N 1 0 299.422 2.948 40 0 CFABRO Clc1ccccc1O[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC000257283805 190026500 /nfs/dbraw/zinc/02/65/00/190026500.db2.gz OZXUGRQFDWRWCY-RISCZKNCSA-N 1 0 267.756 2.630 40 0 CFABRO Cc1ncc(-c2cncc([C@@H]3CCC[N@@H+](C(C)C)C3)n2)n1C ZINC000257309184 190031408 /nfs/dbraw/zinc/03/14/08/190031408.db2.gz TZWGQDJMPWESTL-CQSZACIVSA-N 1 0 299.422 2.773 40 0 CFABRO CN1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)[NH2+]2 ZINC000257293748 190028858 /nfs/dbraw/zinc/02/88/58/190028858.db2.gz QQZSLQKVJADSJC-RZFLPCETSA-N 1 0 270.420 2.832 40 0 CFABRO CCn1nccc1-c1cccc([C@@H]2CCC[N@@H+]2C)n1 ZINC000257306681 190031195 /nfs/dbraw/zinc/03/11/95/190031195.db2.gz SVIOFEPBJGGFIJ-AWEZNQCLSA-N 1 0 256.353 2.732 40 0 CFABRO c1cc([C@@H]2CC[N@@H+](Cc3ccccc3N3CCCC3)C2)n[nH]1 ZINC000257316204 190032823 /nfs/dbraw/zinc/03/28/23/190032823.db2.gz VEOWPRNIFQNVBW-OAHLLOKOSA-N 1 0 296.418 2.999 40 0 CFABRO Nc1cc(CC[C@@H]2C[N@@H+](C3CCCCC3)CCO2)ccn1 ZINC000257329841 190034957 /nfs/dbraw/zinc/03/49/57/190034957.db2.gz XLTHCFFBDKKGCX-MRXNPFEDSA-N 1 0 289.423 2.630 40 0 CFABRO CC(C)[NH+]1CCC(Cc2nccnc2-c2cc[nH]n2)CC1 ZINC000257329669 190034999 /nfs/dbraw/zinc/03/49/99/190034999.db2.gz XKYQWXUOOZOWLZ-UHFFFAOYSA-N 1 0 285.395 2.530 40 0 CFABRO CCn1cc(C[N@@H+]2CCC[C@@H]2c2ccnc(NC)c2)cn1 ZINC000257333321 190035349 /nfs/dbraw/zinc/03/53/49/190035349.db2.gz YBBZUGBREMXUGC-OAHLLOKOSA-N 1 0 285.395 2.677 40 0 CFABRO Cc1cc(C[N@@H+]2CCC[C@@H]2CCc2ccncc2)no1 ZINC000257332770 190035622 /nfs/dbraw/zinc/03/56/22/190035622.db2.gz XYOIIDMKSLOTJH-MRXNPFEDSA-N 1 0 271.364 2.975 40 0 CFABRO Cc1ccnc([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000257332929 190035657 /nfs/dbraw/zinc/03/56/57/190035657.db2.gz XZJHOSBOVYFPJO-OAHLLOKOSA-N 1 0 253.349 2.775 40 0 CFABRO CCn1cc(C[N@@H+]2CCC[C@H](c3ccnc(C)n3)C2)c(C)n1 ZINC000257334494 190036073 /nfs/dbraw/zinc/03/60/73/190036073.db2.gz YGEUNEUSAQGTJD-HNNXBMFYSA-N 1 0 299.422 2.689 40 0 CFABRO Cc1cncc(C2CC[NH+](Cc3cncs3)CC2)n1 ZINC000257338338 190036228 /nfs/dbraw/zinc/03/62/28/190036228.db2.gz YWYKGBKDZLLHLZ-UHFFFAOYSA-N 1 0 274.393 2.621 40 0 CFABRO Cc1ncc(C[NH+]2CCC(Cc3ccncc3)CC2)cn1 ZINC000257337367 190036427 /nfs/dbraw/zinc/03/64/27/190036427.db2.gz YSMSMKWSNCYSPC-UHFFFAOYSA-N 1 0 282.391 2.635 40 0 CFABRO c1cc(CC2CC[NH+](CC3CCOCC3)CC2)ccn1 ZINC000257339059 190037024 /nfs/dbraw/zinc/03/70/24/190037024.db2.gz ZAAUXMVOVWXBCV-UHFFFAOYSA-N 1 0 274.408 2.763 40 0 CFABRO c1csc([C@H]2CCC[N@@H+](Cc3ccncc3)C2)n1 ZINC000130321158 377536461 /nfs/dbraw/zinc/53/64/61/377536461.db2.gz ZBPCAFGMNMXGIZ-ZDUSSCGKSA-N 1 0 259.378 2.918 40 0 CFABRO [NH3+][C@H]1CC[C@H](Oc2cc(C(F)(F)F)ccn2)CC1 ZINC000299909414 382053505 /nfs/dbraw/zinc/05/35/05/382053505.db2.gz MCUKMLJCTWVHRX-MGCOHNPYSA-N 1 0 260.259 2.749 40 0 CFABRO CC(C)(C)OC(=O)NCC12CCC([NH3+])(CC1)CC2 ZINC000306145803 382452437 /nfs/dbraw/zinc/45/24/37/382452437.db2.gz QRWATOMUVZXIJJ-UHFFFAOYSA-N 1 0 254.374 2.563 40 0 CFABRO CC(C)(C)OC(=O)N1CCC[C@H]2[NH2+]CCC[C@@]21C ZINC000205684074 382773747 /nfs/dbraw/zinc/77/37/47/382773747.db2.gz HVTCNJJXIUDMEE-RISCZKNCSA-N 1 0 254.374 2.528 40 0 CFABRO CC(C)CN1c2ccc(SCC[NH3+])cc2CCC1=O ZINC000218811961 382790960 /nfs/dbraw/zinc/79/09/60/382790960.db2.gz ZZKUOKRXLVGHDM-UHFFFAOYSA-N 1 0 278.421 2.673 40 0 CFABRO CC(C)(C)c1ccc(-c2nc(SCC[NH3+])n[nH]2)cc1 ZINC000224978963 382812150 /nfs/dbraw/zinc/81/21/50/382812150.db2.gz OJZVUUOIMFFEGM-UHFFFAOYSA-N 1 0 276.409 2.820 40 0 CFABRO C[NH+](C)CCOc1ccc(NC(=O)C2(C)CCCC2)cn1 ZINC000225946215 382824005 /nfs/dbraw/zinc/82/40/05/382824005.db2.gz WFCQFIPSSDDNBO-UHFFFAOYSA-N 1 0 291.395 2.541 40 0 CFABRO CC(C)([NH3+])C(=O)NCC(c1ccccc1)c1ccccc1 ZINC000236787527 382917864 /nfs/dbraw/zinc/91/78/64/382917864.db2.gz CQXGZPHPXDTGLO-UHFFFAOYSA-N 1 0 282.387 2.672 40 0 CFABRO c1cc(CO[C@H]2CSC3(C[NH+](CC4CC4)C3)C2)ccn1 ZINC000253590610 383464134 /nfs/dbraw/zinc/46/41/34/383464134.db2.gz CJWBNEKEUNTDGZ-OAHLLOKOSA-N 1 0 290.432 2.568 40 0 CFABRO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@@H+](C(C)C)C[C@@H]12 ZINC000096251844 256834359 /nfs/dbraw/zinc/83/43/59/256834359.db2.gz NPAMZSABRLNJPF-QZTJIDSGSA-N 1 0 286.419 2.659 40 0 CFABRO C[NH+](C)[C@H]1c2ccccc2[C@@H]2CN(C(=O)c3ccco3)C[C@@H]21 ZINC000096251693 256834688 /nfs/dbraw/zinc/83/46/88/256834688.db2.gz UQTMZJQRASERML-ZOBUZTSGSA-N 1 0 296.370 2.752 40 0 CFABRO CC(C)(C)N(Cc1ccccc1)C(=O)C[NH2+]C1CC1 ZINC000064875568 393631630 /nfs/dbraw/zinc/63/16/30/393631630.db2.gz JASDUQBDCFUSGG-UHFFFAOYSA-N 1 0 260.381 2.566 40 0 CFABRO CCCC[N@@H+]1CCC[C@H]1c1cccnc1N1CCOCC1 ZINC000072216228 393644916 /nfs/dbraw/zinc/64/49/16/393644916.db2.gz GGZJFEUWMFNSKO-INIZCTEOSA-N 1 0 289.423 2.855 40 0 CFABRO C[NH2+]Cc1cnc(N(C)Cc2ccccc2)cc1C ZINC000072223408 393646647 /nfs/dbraw/zinc/64/66/47/393646647.db2.gz JTKNIUQLTXZTIL-UHFFFAOYSA-N 1 0 255.365 2.746 40 0 CFABRO C[NH2+]Cc1ccc(N2CCc3ccccc3C2)nc1C ZINC000072224944 393647471 /nfs/dbraw/zinc/64/74/71/393647471.db2.gz HZJNNKPWPGVIDU-UHFFFAOYSA-N 1 0 267.376 2.672 40 0 CFABRO CCOc1ccc(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000072324620 393649946 /nfs/dbraw/zinc/64/99/46/393649946.db2.gz KMWWJLGVBJSXFB-ZBFHGGJFSA-N 1 0 274.408 2.754 40 0 CFABRO C[C@@H]1CCCC[C@@H]1[NH2+]c1ccc(N)cc1-n1cnnc1 ZINC000216751161 393756178 /nfs/dbraw/zinc/75/61/78/393756178.db2.gz MYLNIXLCMGGLPU-YPMHNXCESA-N 1 0 271.368 2.840 40 0 CFABRO C[C@H]1CCCC[C@@H]1[NH2+]c1ccc(N)cc1-n1cnnc1 ZINC000216751203 393756209 /nfs/dbraw/zinc/75/62/09/393756209.db2.gz MYLNIXLCMGGLPU-AAEUAGOBSA-N 1 0 271.368 2.840 40 0 CFABRO Fc1ccc(N2CC[NH2+][C@@H]3CCCC[C@@H]32)cc1F ZINC000225714352 393768866 /nfs/dbraw/zinc/76/88/66/393768866.db2.gz ZFYNMLCZUGFDGS-KGLIPLIRSA-N 1 0 252.308 2.686 40 0 CFABRO COc1ccc2[nH]cc([C@H](C[NH3+])C(F)(F)F)c2c1 ZINC000096529463 393839580 /nfs/dbraw/zinc/83/95/80/393839580.db2.gz YHPYNBOYWGJINZ-JTQLQIEISA-N 1 0 258.243 2.781 40 0 CFABRO CCS(=O)(=O)[C@@H](C)[C@@H]([NH3+])c1ccc(Cl)cc1Cl ZINC000096524845 393838054 /nfs/dbraw/zinc/83/80/54/393838054.db2.gz XVOKHOAGONDZMG-WRWORJQWSA-N 1 0 296.219 2.816 40 0 CFABRO c1nc2n(c1-c1ccccc1)C[C@H](C[NH2+]C1CCCC1)OC2 ZINC000096296456 393818176 /nfs/dbraw/zinc/81/81/76/393818176.db2.gz BDMZQDXMYWWBDV-INIZCTEOSA-N 1 0 297.402 2.981 40 0 biogenic,in-vitro CFABRO COCCn1cc([C@@H](C[NH3+])C(F)(F)F)c2ccccc21 ZINC000096529473 393839292 /nfs/dbraw/zinc/83/92/92/393839292.db2.gz XUSKBGZATDJZNB-GFCCVEGCSA-N 1 0 286.297 2.892 40 0 CFABRO CC(C)[N@@H+]1CC[C@]2(c3ccccc3)CCN(C)[C@H]2C1 ZINC000107260277 393869716 /nfs/dbraw/zinc/86/97/16/393869716.db2.gz QAUBHKPALPHLRH-IRXDYDNUSA-N 1 0 258.409 2.743 40 0 CFABRO Cc1ccc(N2CCN(C3C[NH+](C(C)(C)C)C3)CC2)cc1 ZINC000087492704 135050380 /nfs/dbraw/zinc/05/03/80/135050380.db2.gz OMZHGUWPAKDAAU-UHFFFAOYSA-N 1 0 287.451 2.600 40 0 CFABRO CC(C)(C)OC(=O)N1[C@@H]([C@H]([NH3+])C(C)(C)C)COC1(C)C ZINC000072208805 397590668 /nfs/dbraw/zinc/59/06/68/397590668.db2.gz KVOZJTFIUREUSI-MNOVXSKESA-N 1 0 286.416 2.732 40 0 CFABRO C[NH2+][C@H]([C@@H](C)OC(=O)c1ccc(N)cc1)C1CCCCC1 ZINC000001710502 169747526 /nfs/dbraw/zinc/74/75/26/169747526.db2.gz LHSHUWZYCPAWMO-MLGOLLRUSA-N 1 0 290.407 2.982 40 0 CFABRO C[C@H]1C[C@@H](OC[C@H](O)C[NH2+]C(C)(C)C)CC(C)(C)C1 ZINC000005093553 170065680 /nfs/dbraw/zinc/06/56/80/170065680.db2.gz SYMRXAKJCMBHJY-BFHYXJOUSA-N 1 0 271.445 2.967 40 0 CFABRO CC[C@@H](C)[NH2+]C[C@@H](O)CO[C@@H](CC)c1ccccc1 ZINC000006440084 170201345 /nfs/dbraw/zinc/20/13/45/170201345.db2.gz GKKSTNFFRRFMHC-BMFZPTHFSA-N 1 0 265.397 2.903 40 0 CFABRO COC(=O)C[C@@H](c1ccc2c(c1)OCO2)[NH+]1CCCCC1 ZINC000006482276 170205136 /nfs/dbraw/zinc/20/51/36/170205136.db2.gz GBDXJARTMOJPFP-ZDUSSCGKSA-N 1 0 291.347 2.505 40 0 CFABRO C[C@H](C[NH+](C)C)OC(=O)Nc1ccccc1Cl ZINC000006491781 170205870 /nfs/dbraw/zinc/20/58/70/170205870.db2.gz HMQWDSFEKJXYAJ-SECBINFHSA-N 1 0 256.733 2.839 40 0 CFABRO COc1ccccc1[C@H]1[NH2+]CC[C@@]2(O)CCCC[C@@H]12 ZINC000006849367 170248667 /nfs/dbraw/zinc/24/86/67/170248667.db2.gz DWFHSNCUMBKUCN-IMJJTQAJSA-N 1 0 261.365 2.651 40 0 CFABRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000008406966 170335447 /nfs/dbraw/zinc/33/54/47/170335447.db2.gz RNEQQIJSHKHNLC-QGZVFWFLSA-N 1 0 298.361 2.830 40 0 CFABRO CCOc1ccc([C@H](C[NH3+])N2CCC[C@@H](C)C2)cc1 ZINC000022172594 171368931 /nfs/dbraw/zinc/36/89/31/171368931.db2.gz YLHITQLEVOFUJB-CJNGLKHVSA-N 1 0 262.397 2.817 40 0 CFABRO CCc1ccccc1NC(=O)COc1ccc(C[NH3+])cc1 ZINC000022215162 171375271 /nfs/dbraw/zinc/37/52/71/171375271.db2.gz JCJDHGDVKNNQJE-UHFFFAOYSA-N 1 0 284.359 2.725 40 0 CFABRO CC(C)c1cc(=O)[nH]c(SCC[NH+]2CCCCC2)n1 ZINC000026456948 171485188 /nfs/dbraw/zinc/48/51/88/171485188.db2.gz YLOXZNWPFNHROZ-UHFFFAOYSA-N 1 0 281.425 2.884 40 0 CFABRO COc1ccc2cccc(OC[C@H](O)C[NH2+]C(C)C)c2c1 ZINC000035645050 172322274 /nfs/dbraw/zinc/32/22/74/172322274.db2.gz SHLYYDPCAGPWOZ-CQSZACIVSA-N 1 0 289.375 2.586 40 0 in-vitro CFABRO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038857540 174158042 /nfs/dbraw/zinc/15/80/42/174158042.db2.gz YLJHDGLJSGSBFV-MRXNPFEDSA-N 1 0 274.408 2.815 40 0 CFABRO C[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccc(O)c1 ZINC000044136062 175146130 /nfs/dbraw/zinc/14/61/30/175146130.db2.gz JBBZPOHBHNEKIM-MRXNPFEDSA-N 1 0 257.333 2.558 40 0 in-vitro CFABRO Clc1ccc(Cl)c(CNC2CC[NH2+]CC2)c1 ZINC000072203581 176341427 /nfs/dbraw/zinc/34/14/27/176341427.db2.gz AEPDNDMVCGIGBU-UHFFFAOYSA-N 1 0 259.180 2.835 40 0 CFABRO CN(Cc1c(F)cccc1Cl)[C@H]1CCC[NH2+]C1 ZINC000072203587 176341511 /nfs/dbraw/zinc/34/15/11/176341511.db2.gz ZFGDFDHBPFSXKB-JTQLQIEISA-N 1 0 256.752 2.663 40 0 CFABRO CCCOc1ccc(-c2noc(C3CC[NH2+]CC3)n2)cc1 ZINC000072226840 176343225 /nfs/dbraw/zinc/34/32/25/176343225.db2.gz JACJGRMULSHSTP-UHFFFAOYSA-N 1 0 287.363 2.992 40 0 CFABRO CCOc1cccc(-c2noc(CC3CC[NH2+]CC3)n2)c1 ZINC000072226854 176343320 /nfs/dbraw/zinc/34/33/20/176343320.db2.gz OFZCVUSQSTZNJR-UHFFFAOYSA-N 1 0 287.363 2.677 40 0 CFABRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(Br)o1 ZINC000072324721 176369596 /nfs/dbraw/zinc/36/95/96/176369596.db2.gz KJAVUNFFXFBSSK-MNOVXSKESA-N 1 0 299.212 2.711 40 0 CFABRO c1cn(-c2nccnc2[C@@H]2CCC[N@@H+](C3CCCC3)C2)cn1 ZINC000072350471 176373791 /nfs/dbraw/zinc/37/37/91/176373791.db2.gz GZECJIYXSBKEFK-CQSZACIVSA-N 1 0 297.406 2.784 40 0 CFABRO Cc1cc(N(C)C)cc([C@@H]2CCCN2c2cnccn2)[nH+]1 ZINC000072356653 176375821 /nfs/dbraw/zinc/37/58/21/176375821.db2.gz KHKBTCZZHQIBMG-HNNXBMFYSA-N 1 0 283.379 2.588 40 0 CFABRO Cc1csc(C2CC[NH+](C3CCOCC3)CC2)n1 ZINC000072357348 176376399 /nfs/dbraw/zinc/37/63/99/176376399.db2.gz DRFUGRDABNWEFV-UHFFFAOYSA-N 1 0 266.410 2.810 40 0 CFABRO CNc1cccc([C@@H]2CCC[N@H+](Cc3ccncc3)C2)n1 ZINC000072363781 176378011 /nfs/dbraw/zinc/37/80/11/176378011.db2.gz YEQJEYGTOLJTHC-OAHLLOKOSA-N 1 0 282.391 2.898 40 0 CFABRO C[NH+]1CCC(c2cccc(NCc3ccncc3)n2)CC1 ZINC000072364978 176379889 /nfs/dbraw/zinc/37/98/89/176379889.db2.gz NWGRHNQKRNAPEF-UHFFFAOYSA-N 1 0 282.391 2.898 40 0 CFABRO Fc1ccc(-c2cnc(C[C@@H]3CCC[NH2+]C3)cn2)cc1F ZINC000072365096 176379918 /nfs/dbraw/zinc/37/99/18/176379918.db2.gz CHDPHORNTAKRND-NSHDSACASA-N 1 0 289.329 2.964 40 0 CFABRO C[N@@H+]1CCC[C@H]1c1cccc(Nc2cccc(C(N)=O)c2)n1 ZINC000072365282 176380329 /nfs/dbraw/zinc/38/03/29/176380329.db2.gz DHYGYCCMGMQLCM-HNNXBMFYSA-N 1 0 296.374 2.691 40 0 CFABRO Cc1cccc(OC2CC[NH+](Cc3cnn(C)c3)CC2)c1 ZINC000072367987 176382583 /nfs/dbraw/zinc/38/25/83/176382583.db2.gz YZFUWZCOMCNKKD-UHFFFAOYSA-N 1 0 285.391 2.772 40 0 CFABRO Fc1ccc(-c2cnc(C3CC[NH2+]CC3)cn2)cc1 ZINC000072384539 176388749 /nfs/dbraw/zinc/38/87/49/176388749.db2.gz XJEOOTKABOXTIQ-UHFFFAOYSA-N 1 0 257.312 2.750 40 0 CFABRO Cc1c[nH]nc1[C@@H]1CC[N@@H+](Cc2nc3ccccc3n2C)C1 ZINC000072385297 176389931 /nfs/dbraw/zinc/38/99/31/176389931.db2.gz ONQDJEVMIVSMMR-CYBMUJFWSA-N 1 0 295.390 2.594 40 0 CFABRO Cc1nccn1-c1ccc([C@H]2CCCC[N@H+]2C)cn1 ZINC000072386494 176391406 /nfs/dbraw/zinc/39/14/06/176391406.db2.gz AOVOIKQOBAUPQO-CQSZACIVSA-N 1 0 256.353 2.733 40 0 CFABRO O=C(NC1CCCCC1)c1cccc([C@@H]2CCC[NH2+]2)n1 ZINC000072387007 176392943 /nfs/dbraw/zinc/39/29/43/176392943.db2.gz KTNABSUBXKIURR-ZDUSSCGKSA-N 1 0 273.380 2.569 40 0 CFABRO c1ccc(C[N@@H+]2CCC[C@@H](c3[nH]nc4nccnc43)C2)cc1 ZINC000072393819 176394537 /nfs/dbraw/zinc/39/45/37/176394537.db2.gz PCACIDHYKVUZAT-CQSZACIVSA-N 1 0 293.374 2.733 40 0 CFABRO C[C@@H](NC(=O)CC1CC[NH+](C)CC1)c1ccccc1 ZINC000074920912 176635602 /nfs/dbraw/zinc/63/56/02/176635602.db2.gz FRMPCDRPTUVJCH-CYBMUJFWSA-N 1 0 260.381 2.596 40 0 CFABRO C[NH2+][C@H]1CCCC[C@@H]1N(C)C(=O)OCc1ccccc1 ZINC000079437759 177491112 /nfs/dbraw/zinc/49/11/12/177491112.db2.gz ZYRONJPZIAYFBW-GJZGRUSLSA-N 1 0 276.380 2.786 40 0 CFABRO Cc1ccc(Cl)c2c(N3CC[NH2+]CC3)ccnc12 ZINC000068136460 274744453 /nfs/dbraw/zinc/74/44/53/274744453.db2.gz WHAAMNKXYVJCGL-UHFFFAOYSA-N 1 0 261.756 2.606 40 0 CFABRO CC(C)(C)[NH2+]C[C@@H](O)CO[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C ZINC000009970712 275820944 /nfs/dbraw/zinc/82/09/44/275820944.db2.gz MCHPMJYHXBQWRM-WBOJAVRRSA-N 1 0 283.456 2.967 40 0 CFABRO CC1(C)Cc2ccccc2C(C[n+]2ccccc2)=N1 ZINC000000276824 275873554 /nfs/dbraw/zinc/87/35/54/275873554.db2.gz MYNGHEINNRXGCE-UHFFFAOYSA-N 1 0 251.353 2.798 40 0 CFABRO CN1C(=O)C2(CC[NH+](CC3CC3)CC2)[C@H]1c1ccccc1 ZINC000096100256 277006216 /nfs/dbraw/zinc/00/62/16/277006216.db2.gz IRCUNGPONQKDCP-MRXNPFEDSA-N 1 0 284.403 2.692 40 0 CFABRO C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cc2)C1 ZINC000082325497 277073134 /nfs/dbraw/zinc/07/31/34/277073134.db2.gz FJAPXYKIFSJQEJ-JTQLQIEISA-N 1 0 297.196 2.729 40 0 CFABRO COc1ccc(N2[NH+]=C(N)C[C@H]2c2ccccc2)cc1 ZINC000039384973 277909646 /nfs/dbraw/zinc/90/96/46/277909646.db2.gz DZESEKOIZAUVIB-HNNXBMFYSA-N 1 0 267.332 2.919 40 0 CFABRO C[C@@H]1CN(C(=O)c2ccc(-c3ccccc3)cc2)CC[NH2+]1 ZINC000071978905 278684172 /nfs/dbraw/zinc/68/41/72/278684172.db2.gz PDYVDPPFFXBYAX-CQSZACIVSA-N 1 0 280.371 2.788 40 0 CFABRO Cc1cc(C)c(NC(=O)[C@@H]2CCC[N@@H+](C)C2)c(C)c1 ZINC000082323753 280393550 /nfs/dbraw/zinc/39/35/50/280393550.db2.gz VBMHSYCQKHSXEZ-CQSZACIVSA-N 1 0 260.381 2.892 40 0 CFABRO Cc1[nH+]c(N)nc(N)c1-c1ccc(Cl)c(Cl)c1 ZINC000000001723 281919038 /nfs/dbraw/zinc/91/90/38/281919038.db2.gz VQJHOPSWBGJHQS-UHFFFAOYSA-N 1 0 269.135 2.923 40 0 investigational CFABRO [NH3+]C[C@@H](c1c(F)cccc1Cl)N1CCCCC1 ZINC000038809006 303393890 /nfs/dbraw/zinc/39/38/90/303393890.db2.gz FOXHYRKAFYMFEP-LBPRGKRZSA-N 1 0 256.752 2.965 40 0 CFABRO Cc1ccc(C[NH2+]Cc2cnc(NC(C)C)nc2)cc1 ZINC000062717633 333175908 /nfs/dbraw/zinc/17/59/08/333175908.db2.gz TYFWQOZAGFDSBS-UHFFFAOYSA-N 1 0 270.380 2.895 40 0 CFABRO Cc1cc(C)nc(NCC[NH2+]Cc2cccc(Cl)c2)n1 ZINC000062717865 333176070 /nfs/dbraw/zinc/17/60/70/333176070.db2.gz DJVSNBYAANJRHK-UHFFFAOYSA-N 1 0 290.798 2.949 40 0 CFABRO CC(C)(C)OC(=O)N(CC1CC1)C[C@H]1CCC[NH2+]C1 ZINC000217522165 534773261 /nfs/dbraw/zinc/77/32/61/534773261.db2.gz PVMKOAPCEQKHFU-ZDUSSCGKSA-N 1 0 268.401 2.633 40 0 CFABRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@]1(CO)C(F)(F)F ZINC000228906499 525013959 /nfs/dbraw/zinc/01/39/59/525013959.db2.gz YRQQNNUMEBZONG-YPMHNXCESA-N 1 0 273.298 2.679 40 0 CFABRO Fc1ccc(-c2noc(C3CC[NH2+]CC3)n2)cc1Cl ZINC000062790668 526318445 /nfs/dbraw/zinc/31/84/45/526318445.db2.gz FFSDJUCSJPGMEX-UHFFFAOYSA-N 1 0 281.718 2.996 40 0 CFABRO COC(=O)c1ccc(C[NH2+]Cc2ccc(F)s2)cc1 ZINC000685936733 545574727 /nfs/dbraw/zinc/57/47/27/545574727.db2.gz ULQITMYXSVLIIO-UHFFFAOYSA-N 1 0 279.336 2.964 40 0 CFABRO Cc1ccc(/C=C/C(=O)NCCC2CC[NH+](C)CC2)cc1 ZINC000156373413 230394918 /nfs/dbraw/zinc/39/49/18/230394918.db2.gz SPHHILPPWMSQMN-BQYQJAHWSA-N 1 0 286.419 2.856 40 0 CFABRO CC(C)(C)OC(=O)NCC1(CC2CC2)CC[NH2+]CC1 ZINC000096029484 185067235 /nfs/dbraw/zinc/06/72/35/185067235.db2.gz HGKUCHOSRFHHMW-UHFFFAOYSA-N 1 0 268.401 2.681 40 0 CFABRO CC[N@@H+]1CCOC[C@@]2(CCCN(Cc3ccsc3)C2)C1 ZINC000096049590 185072986 /nfs/dbraw/zinc/07/29/86/185072986.db2.gz FYXTXTIEKNVLCG-INIZCTEOSA-N 1 0 294.464 2.682 40 0 CFABRO c1cc(C[NH+]2C[C@H]3CN(Cc4ccccn4)C[C@@H]3C2)cs1 ZINC000096053787 185073766 /nfs/dbraw/zinc/07/37/66/185073766.db2.gz LQLMHLPVDPXAMO-HOTGVXAUSA-N 1 0 299.443 2.707 40 0 CFABRO CCn1c(=O)ccc2c1CC[C@H]([NH2+]Cc1ccsc1)C2 ZINC000096067593 185085767 /nfs/dbraw/zinc/08/57/67/185085767.db2.gz KORDTQLDBXGKRV-AWEZNQCLSA-N 1 0 288.416 2.577 40 0 CFABRO Cc1cc(N)n(CC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000083351201 178381346 /nfs/dbraw/zinc/38/13/46/178381346.db2.gz FPRFPSCCOOEINW-UHFFFAOYSA-N 1 0 284.407 2.686 40 0 CFABRO Cc1noc(C)c1-c1ccc([C@H]2CCC[NH2+]C2)nc1 ZINC000257211631 282378308 /nfs/dbraw/zinc/37/83/08/282378308.db2.gz BZPQTVFJSQULAN-LBPRGKRZSA-N 1 0 257.337 2.820 40 0 CFABRO CC(C)c1ccc(CCC(=O)NCCC[NH+](C)C)cc1 ZINC000010338286 346226848 /nfs/dbraw/zinc/22/68/48/346226848.db2.gz XVAJNUAGYAYLHJ-UHFFFAOYSA-N 1 0 276.424 2.811 40 0 CFABRO CC(C)CS(=O)(=O)c1ccc(C[NH3+])c2ccccc21 ZINC000085390843 179047634 /nfs/dbraw/zinc/04/76/34/179047634.db2.gz RYCKIMGHRWFZHQ-UHFFFAOYSA-N 1 0 277.389 2.728 40 0 CFABRO CC(C)(C)OC(=O)N[C@@H]1C[NH2+]C[C@@H]1C1CCCCC1 ZINC000059966609 346658761 /nfs/dbraw/zinc/65/87/61/346658761.db2.gz JKFONBAELDEELK-CHWSQXEVSA-N 1 0 268.401 2.679 40 0 CFABRO O=C1O[C@]2(CN1c1ccc(Cl)cc1)CCC[NH2+]CC2 ZINC000218854673 348167788 /nfs/dbraw/zinc/16/77/88/348167788.db2.gz IDMJNVJQBZXYBD-CQSZACIVSA-N 1 0 280.755 2.809 40 0 CFABRO Cc1ccc(CN2CCC[C@@H](C[NH3+])C2)c(Cl)c1 ZINC000235875777 348230417 /nfs/dbraw/zinc/23/04/17/348230417.db2.gz CUZXLGLJDCIRBF-LBPRGKRZSA-N 1 0 252.789 2.819 40 0 CFABRO CCc1ccc([C@H]2C[NH2+]C[C@@H]2NC(=O)OC(C)(C)C)cc1 ZINC000409423365 348600292 /nfs/dbraw/zinc/60/02/92/348600292.db2.gz QHWKGZOOXVZJPV-CABCVRRESA-N 1 0 290.407 2.829 40 0 CFABRO CN(C(=O)OC(C)(C)C)[C@H](C(=[NH2+])NO)c1cccc(F)c1 ZINC000409442354 348602503 /nfs/dbraw/zinc/60/25/03/348602503.db2.gz UYAXQSFCLJULBL-NSHDSACASA-N 1 0 297.330 2.690 40 0 CFABRO Cc1cccc2cc(C[NH2+][C@H]3CCCC[C@@H]3O)c(=O)[nH]c12 ZINC000585292923 348738935 /nfs/dbraw/zinc/73/89/35/348738935.db2.gz PTCKBNPSSWYYKI-GJZGRUSLSA-N 1 0 286.375 2.642 40 0 CFABRO FC(F)(F)c1nc(-c2cccc(C3CC[NH2+]CC3)n2)no1 ZINC000585289593 348738964 /nfs/dbraw/zinc/73/89/64/348738964.db2.gz KNAYOHHDOXYOHY-UHFFFAOYSA-N 1 0 298.268 2.617 40 0 CFABRO CC[NH+](CC)CC[C@H]1CN(C2CCC2)Cc2ccnn21 ZINC000585112784 348734305 /nfs/dbraw/zinc/73/43/05/348734305.db2.gz WMVNBCPWPHMIPV-INIZCTEOSA-N 1 0 276.428 2.524 40 0 CFABRO C[NH2+]CCCc1cnn(C/C=C/c2ccccc2)c1 ZINC000585142830 348737311 /nfs/dbraw/zinc/73/73/11/348737311.db2.gz IGEMIFCSWWCWCM-UXBLZVDNSA-N 1 0 255.365 2.749 40 0 CFABRO Fc1cccnc1O[C@@H]1CSC2(C[NH+](C3CCC3)C2)C1 ZINC000247556138 283032418 /nfs/dbraw/zinc/03/24/18/283032418.db2.gz XKYNEQANERQLOM-LBPRGKRZSA-N 1 0 294.395 2.712 40 0 CFABRO C[N@@H+]1CC[C@@](O)(c2ccccc2)[C@H](c2ccccc2)C1 ZINC000004791875 283101173 /nfs/dbraw/zinc/10/11/73/283101173.db2.gz CHRSBWPLDAJHHB-ZWKOTPCHSA-N 1 0 267.372 2.994 40 0 CFABRO C[N@@H+]1CC[C@H]2[C@@H](C1)c1ccccc1[C@]2(O)c1ccccc1 ZINC000005700910 283158661 /nfs/dbraw/zinc/15/86/61/283158661.db2.gz NDJFIWYEZXIUMO-YTQUADARSA-N 1 0 279.383 2.971 40 0 CFABRO CCCNC(=S)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2CC(C)C ZINC000008628310 283384460 /nfs/dbraw/zinc/38/44/60/283384460.db2.gz BEYRRGIQRBONHQ-GOOCMWNKSA-N 1 0 297.512 2.902 40 0 CFABRO CC(C)OC(=O)[C@@H](c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000204472855 540785148 /nfs/dbraw/zinc/78/51/48/540785148.db2.gz AZVPADMEIMLODT-GJZGRUSLSA-N 1 0 261.365 2.864 40 0 in-vitro CFABRO CC[N@H+](C)CCc1c[nH]c2cccc(OC(C)=O)c12 ZINC000206515932 540932799 /nfs/dbraw/zinc/93/27/99/540932799.db2.gz OMDKHOOGGJRLLX-UHFFFAOYSA-N 1 0 260.337 2.587 40 0 in-vitro CFABRO CCN(CC)C(=O)C1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000000378360 371600915 /nfs/dbraw/zinc/60/09/15/371600915.db2.gz DUOZLOOJPMIWGO-OAHLLOKOSA-N 1 0 278.440 2.923 40 0 CFABRO COc1cccc([C@]2(O)CCCC[C@@H]2C[NH+](C)C)c1 ZINC000001849532 371708785 /nfs/dbraw/zinc/70/87/85/371708785.db2.gz TVYLLZQTGLZFBW-GDBMZVCRSA-N 1 0 263.381 2.635 40 0 in-man CFABRO CCCCC[C@@H](C)[NH2+]CCOC(=O)c1ccc(N)cc1 ZINC000001995954 371711763 /nfs/dbraw/zinc/71/17/63/371711763.db2.gz NQQZMHAZSVABON-CYBMUJFWSA-N 1 0 278.396 2.984 40 0 CFABRO COc1cc2c(cc1OC)[C@H](c1ccccc1)C[NH2+]C2 ZINC000002513789 371731812 /nfs/dbraw/zinc/73/18/12/371731812.db2.gz VNEDJZCVRIKACP-HNNXBMFYSA-N 1 0 269.344 2.939 40 0 CFABRO O[C@H](C[NH+]1CCCCC1)c1cc(-c2ccccc2)no1 ZINC000001565062 371681712 /nfs/dbraw/zinc/68/17/12/371681712.db2.gz LWJVXOXWJLSVQO-OAHLLOKOSA-N 1 0 272.348 2.861 40 0 CFABRO CCCC[NH2+]C(C)(C)COC(=O)c1ccc(N)cc1 ZINC000001669887 371693617 /nfs/dbraw/zinc/69/36/17/371693617.db2.gz WUIFPYDPRMLHIR-UHFFFAOYSA-N 1 0 264.369 2.594 40 0 CFABRO C[C@H](COC(=O)c1ccc(N)cc1)[NH2+]C1CCCCC1 ZINC000001716538 371701812 /nfs/dbraw/zinc/70/18/12/371701812.db2.gz PBYZPRVQLUIMFW-GFCCVEGCSA-N 1 0 276.380 2.736 40 0 CFABRO COc1ccccc1[C@H]1[NH2+]CC[C@@]2(O)CCCC[C@H]12 ZINC000004012340 371827767 /nfs/dbraw/zinc/82/77/67/371827767.db2.gz DWFHSNCUMBKUCN-BMFZPTHFSA-N 1 0 261.365 2.651 40 0 CFABRO Cc1ccccc1OC[C@@H](O)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000004248002 371843771 /nfs/dbraw/zinc/84/37/71/371843771.db2.gz SMBKZOQPNGCSEO-DZKIICNBSA-N 1 0 277.408 2.713 40 0 CFABRO Cc1cccc(OC[C@H](O)C[NH+]2[C@@H](C)CCC[C@@H]2C)c1 ZINC000004276572 371845597 /nfs/dbraw/zinc/84/55/97/371845597.db2.gz SSKLSJSAMGIPNT-HRCADAONSA-N 1 0 277.408 2.998 40 0 CFABRO O=C(NCC[NH2+]Cc1cccc2ccccc21)c1ccco1 ZINC000004498130 371859211 /nfs/dbraw/zinc/85/92/11/371859211.db2.gz AWQZDVBXNYSEOX-UHFFFAOYSA-N 1 0 294.354 2.952 40 0 CFABRO CC(=O)O[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)[C@@H]1C ZINC000004601839 371867378 /nfs/dbraw/zinc/86/73/78/371867378.db2.gz CESFOVNVFNXRAX-XEZPLFJOSA-N 1 0 261.365 2.849 40 0 CFABRO O=C(CC[NH+]1CCCCC1)NC12CC3CC(CC(C3)C1)C2 ZINC000004769825 371875363 /nfs/dbraw/zinc/87/53/63/371875363.db2.gz YWRQVZLOQADYDS-UHFFFAOYSA-N 1 0 290.451 2.947 40 0 CFABRO [NH3+][C@@H](c1ccncc1)c1ccc(Br)cc1 ZINC000011737341 371927511 /nfs/dbraw/zinc/92/75/11/371927511.db2.gz IBQJLEZOJQAQTL-GFCCVEGCSA-N 1 0 263.138 2.892 40 0 CFABRO [NH2+]=C1SCCN1CC(=O)c1ccc(Br)cc1 ZINC000012428985 371962300 /nfs/dbraw/zinc/96/23/00/371962300.db2.gz BSVWWBBNSZUPTA-UHFFFAOYSA-N 1 0 299.193 2.615 40 0 CFABRO C[NH+](C)C(C)(C)CCNC(=S)Nc1ccccc1 ZINC000013577098 372034654 /nfs/dbraw/zinc/03/46/54/372034654.db2.gz AGVCWVBLRVWUQX-UHFFFAOYSA-N 1 0 265.426 2.703 40 0 CFABRO CC(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCC[N@H+]2C ZINC000019019571 372146763 /nfs/dbraw/zinc/14/67/63/372146763.db2.gz SKRJLXCULPULLS-KSZLIROESA-N 1 0 286.419 2.875 40 0 CFABRO CCN(CC)[C@@H](C[NH3+])c1ccccc1OC(F)(F)F ZINC000019255086 372152049 /nfs/dbraw/zinc/15/20/49/372152049.db2.gz ALGYGDZFSQOXAW-NSHDSACASA-N 1 0 276.302 2.927 40 0 CFABRO O=C(Nc1ccccc1C(F)(F)F)C1CC[NH2+]CC1 ZINC000019411420 372160998 /nfs/dbraw/zinc/16/09/98/372160998.db2.gz RVRDUGGFFJTITR-UHFFFAOYSA-N 1 0 272.270 2.644 40 0 CFABRO COc1ccc(Br)c([C@H]2CCC[NH2+]2)c1 ZINC000019505799 372169538 /nfs/dbraw/zinc/16/95/38/372169538.db2.gz YGIHSRFFFWVFRQ-LLVKDONJSA-N 1 0 256.143 2.882 40 0 CFABRO CCN(CC)[C@@H](C[NH3+])c1ccccc1Br ZINC000019511752 372172379 /nfs/dbraw/zinc/17/23/79/372172379.db2.gz NMNMDAISTBJLOG-LBPRGKRZSA-N 1 0 271.202 2.791 40 0 CFABRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cccc2cccnc21 ZINC000019575150 372175751 /nfs/dbraw/zinc/17/57/51/372175751.db2.gz VBLAPMAKWRBCTI-PBHICJAKSA-N 1 0 281.403 2.903 40 0 CFABRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc(F)ccc1F ZINC000019575730 372175912 /nfs/dbraw/zinc/17/59/12/372175912.db2.gz DOUVFOWPBNBIAS-FZMZJTMJSA-N 1 0 266.335 2.633 40 0 CFABRO COc1ccc(/C=C/CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000019575678 372176222 /nfs/dbraw/zinc/17/62/22/372176222.db2.gz XKPYGZIQFOIGTK-VFYPNZCPSA-N 1 0 286.419 2.877 40 0 CFABRO Cc1[nH]c2c(cccc2C(=O)N[C@H]2CCC[N@@H+](C)C2)c1C ZINC000019576942 372176459 /nfs/dbraw/zinc/17/64/59/372176459.db2.gz HZOOJDRVLXLVBZ-ZDUSSCGKSA-N 1 0 285.391 2.609 40 0 CFABRO O[C@H]1CCC[C@@H]1[NH2+]Cc1ccnc2cc(Cl)ccc12 ZINC000017301504 372131057 /nfs/dbraw/zinc/13/10/57/372131057.db2.gz ZUCPGPIGZFLXJY-ZFWWWQNUSA-N 1 0 276.767 2.891 40 0 CFABRO CC(=O)O[C@H]1[C@@H]2CCC[C@H]1[C@H]([NH+]1CCCCC1)CC2 ZINC000026690279 372328067 /nfs/dbraw/zinc/32/80/67/372328067.db2.gz KSJDJOYKEJTGAN-QXSJWSMHSA-N 1 0 265.397 2.983 40 0 CFABRO COc1ccc2c(c1)[C@@]13CC[N@H+](C)[C@@H](C2)[C@H]1[C@H](C)CC(=O)C3 ZINC000029476073 372381570 /nfs/dbraw/zinc/38/15/70/372381570.db2.gz FVZCKWRBLLZDHV-UCVSXLDNSA-N 1 0 299.414 2.808 40 0 biogenic,in-vitro CFABRO Cc1ccccc1C(=O)N1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC000033426411 372494245 /nfs/dbraw/zinc/49/42/45/372494245.db2.gz GSVWCUJVDFWDHS-QGZVFWFLSA-N 1 0 272.392 2.601 40 0 CFABRO Brc1ccc2c(c1)CC[C@@]1(CC[NH2+]C1)O2 ZINC000036141998 372562740 /nfs/dbraw/zinc/56/27/40/372562740.db2.gz MNGCMYJRQQQGCD-LBPRGKRZSA-N 1 0 268.154 2.506 40 0 CFABRO CN(C[C@@H](c1ccccc1)[NH+](C)C)c1ccnc(Cl)n1 ZINC000038579725 372774924 /nfs/dbraw/zinc/77/49/24/372774924.db2.gz ULIMMXBKAVZUBS-ZDUSSCGKSA-N 1 0 290.798 2.869 40 0 CFABRO [NH3+][C@@H](CNC(=O)OCc1ccccc1)c1ccccc1 ZINC000051971837 373422948 /nfs/dbraw/zinc/42/29/48/373422948.db2.gz PRGWXRXVMOOPKN-HNNXBMFYSA-N 1 0 270.332 2.613 40 0 CFABRO COc1cccc([C@@H]2C[N@H+](Cc3ccccc3)CCN2)c1 ZINC000056894892 373573495 /nfs/dbraw/zinc/57/34/95/373573495.db2.gz JHMOTEPUZBNHLR-SFHVURJKSA-N 1 0 282.387 2.842 40 0 CFABRO Fc1cccc([C@@H]2CN(Cc3ccccc3)CC[NH2+]2)c1 ZINC000056894956 373574879 /nfs/dbraw/zinc/57/48/79/373574879.db2.gz HIHFSVKKVHQRQF-KRWDZBQOSA-N 1 0 270.351 2.972 40 0 CFABRO [NH3+]C1(Cc2ccc(C(F)(F)F)cc2)CCOCC1 ZINC000063077158 373784360 /nfs/dbraw/zinc/78/43/60/373784360.db2.gz OLRWZXCAWJLADC-UHFFFAOYSA-N 1 0 259.271 2.756 40 0 CFABRO c1c(CC2([NH2+]C3CCC3)COC2)noc1-c1ccccc1 ZINC000067898012 374012500 /nfs/dbraw/zinc/01/25/00/374012500.db2.gz XKWUMHJIMQSAIQ-UHFFFAOYSA-N 1 0 284.359 2.795 40 0 biogenic,in-vitro CFABRO OCC[N@@H+]1C[C@H]2[C@@H](C1)C1c3ccccc3C2c2ccccc21 ZINC000072373697 374246537 /nfs/dbraw/zinc/24/65/37/374246537.db2.gz KUVXZEZFMDEAMY-VCWRXUFXSA-N 1 0 291.394 2.818 40 0 CFABRO Cc1ccc([C@H](C)NC(=O)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000072880733 374297656 /nfs/dbraw/zinc/29/76/56/374297656.db2.gz LVZXCRFWJHFQJP-DZGCQCFKSA-N 1 0 260.381 2.514 40 0 CFABRO CC[C@H]([NH3+])COCc1ccc(Br)cc1 ZINC000074496237 374421524 /nfs/dbraw/zinc/42/15/24/374421524.db2.gz SUMADWCLECRGSF-NSHDSACASA-N 1 0 258.159 2.703 40 0 CFABRO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]C2CCC2)C1 ZINC000083799456 374756459 /nfs/dbraw/zinc/75/64/59/374756459.db2.gz MQPREJZJJBCJMN-LBPRGKRZSA-N 1 0 268.401 2.776 40 0 CFABRO CC(C)(C)OC(=O)N1CC[NH2+][C@@H](CCc2ccccc2)C1 ZINC000082049758 374724714 /nfs/dbraw/zinc/72/47/14/374724714.db2.gz ZYBNWWDFSZMFFA-HNNXBMFYSA-N 1 0 290.407 2.828 40 0 CFABRO COc1ccc(NC(=O)[C@H]2CCC[N@H+](C)C2)cc1Cl ZINC000082325284 374735456 /nfs/dbraw/zinc/73/54/56/374735456.db2.gz YSSVMAFHWYJQSN-JTQLQIEISA-N 1 0 282.771 2.629 40 0 CFABRO C[N@@H+]1CCC[C@@H](C(=O)Nc2cccc(Cl)c2)C1 ZINC000082324491 374736033 /nfs/dbraw/zinc/73/60/33/374736033.db2.gz INEYVXLBCQBXJP-SNVBAGLBSA-N 1 0 252.745 2.620 40 0 CFABRO Cc1ccc(Cl)cc1NC(=O)[C@@H]1CCC[N@@H+](C)C1 ZINC000082324802 374736163 /nfs/dbraw/zinc/73/61/63/374736163.db2.gz KIOZPQCLCGQHDX-LLVKDONJSA-N 1 0 266.772 2.929 40 0 CFABRO [NH3+]Cc1scc(Br)c1Br ZINC000085394482 374801834 /nfs/dbraw/zinc/80/18/34/374801834.db2.gz YPAVCOZPUQUNJR-UHFFFAOYSA-N 1 0 270.977 2.732 40 0 CFABRO C[C@H]1CC(CC[NH+]2CCC(NC(N)=O)CC2)C[C@@H](C)C1 ZINC000089131693 374871753 /nfs/dbraw/zinc/87/17/53/374871753.db2.gz YXVVSALASUBEAM-PBWFPOADSA-N 1 0 281.444 2.582 40 0 CFABRO COc1c(C)cc(-c2noc([C@@H]3CCC[NH2+]C3)n2)cc1C ZINC000095095377 375412952 /nfs/dbraw/zinc/41/29/52/375412952.db2.gz DREPSMOMOLBJMU-GFCCVEGCSA-N 1 0 287.363 2.829 40 0 CFABRO [NH3+]C[C@@H](O)c1c2ccccc2[nH]c1-c1ccccc1 ZINC000095098369 375416217 /nfs/dbraw/zinc/41/62/17/375416217.db2.gz MBKCRQFWZZFDAD-CQSZACIVSA-N 1 0 252.317 2.827 40 0 CFABRO CN1CC[N@H+](Cc2cccs2)Cc2cccnc21 ZINC000096198778 375476941 /nfs/dbraw/zinc/47/69/41/375476941.db2.gz BEIWKKRICHYVCC-UHFFFAOYSA-N 1 0 259.378 2.595 40 0 CFABRO CO[C@@H]1CC[N@H+](Cc2cccs2)[C@H]1Cc1ccncc1 ZINC000096200294 375476979 /nfs/dbraw/zinc/47/69/79/375476979.db2.gz PWNJBGLCXNCAIQ-JKSUJKDBSA-N 1 0 288.416 2.975 40 0 CFABRO c1cc(C[NH+]2CCC3(C[C@@H](OCC4CC4)CO3)CC2)co1 ZINC000096208997 375477005 /nfs/dbraw/zinc/47/70/05/375477005.db2.gz RYEKQACXHRIAGI-MRXNPFEDSA-N 1 0 291.391 2.830 40 0 CFABRO CC(C)CC(=O)N1CC2(C1)CC[N@H+](Cc1ccsc1)C2 ZINC000096202763 375477646 /nfs/dbraw/zinc/47/76/46/375477646.db2.gz PRPZCXRTGYZUQN-UHFFFAOYSA-N 1 0 292.448 2.829 40 0 CFABRO COCC[N@@H+]1CCC[C@@]12CCCN(Cc1ccc(C)o1)C2 ZINC000096203223 375478197 /nfs/dbraw/zinc/47/81/97/375478197.db2.gz FEHYIHOEKAXMNY-QGZVFWFLSA-N 1 0 292.423 2.665 40 0 CFABRO CC(C)CN1CC2(CC[NH+](Cc3cccs3)CC2)C1=O ZINC000096202815 375478226 /nfs/dbraw/zinc/47/82/26/375478226.db2.gz GCVHINSABHEZNJ-UHFFFAOYSA-N 1 0 292.448 2.829 40 0 CFABRO Cc1cccc(C[N@@H+]2CCC[C@]3(CCN(CCF)C3)C2)n1 ZINC000096216238 375480050 /nfs/dbraw/zinc/48/00/50/375480050.db2.gz XIYQRFOJOZVEOT-QGZVFWFLSA-N 1 0 291.414 2.647 40 0 CFABRO Cc1ccc2nc(C3CC[NH+](C(C)C)CC3)nn2c1 ZINC000096260697 375482070 /nfs/dbraw/zinc/48/20/70/375482070.db2.gz DBQDBSQMHOURNW-UHFFFAOYSA-N 1 0 258.369 2.626 40 0 CFABRO Cc1ccc2nc(C3CC[NH+](CC4CC4)CC3)nn2c1 ZINC000096260700 375482309 /nfs/dbraw/zinc/48/23/09/375482309.db2.gz IUAUBQWPVSFOIQ-UHFFFAOYSA-N 1 0 270.380 2.627 40 0 CFABRO CO[C@@H]1CCC[C@@H]2C[N@H+](Cc3csc(C)n3)C[C@@H]21 ZINC000096248983 375482355 /nfs/dbraw/zinc/48/23/55/375482355.db2.gz IPVZHLADOWXSLU-KWCYVHTRSA-N 1 0 266.410 2.698 40 0 CFABRO O=C1NCc2ccccc2CC12CC[NH+](CC1CCC1)CC2 ZINC000096243371 375482431 /nfs/dbraw/zinc/48/24/31/375482431.db2.gz HDJFTZCWWGCOFJ-UHFFFAOYSA-N 1 0 298.430 2.741 40 0 CFABRO COc1ccc2c(c1O)[C@]13CC=CC=C1[C@H](C2)[N@H+](C)CC3 ZINC000096316331 375485363 /nfs/dbraw/zinc/48/53/63/375485363.db2.gz ONYKSPDQQPOMEU-KSSFIOAISA-N 1 0 283.371 2.785 40 0 biogenic,in-vitro CFABRO CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+]CC2CC2)CC1 ZINC000100809429 375628612 /nfs/dbraw/zinc/62/86/12/375628612.db2.gz KYWLSQYEOGCGCX-BETUJISGSA-N 1 0 268.401 2.822 40 0 CFABRO CCn1ncc(C)c1C[NH2+]CCc1cccc(OC)c1 ZINC000256050662 190003205 /nfs/dbraw/zinc/00/32/05/190003205.db2.gz GBAPFOMYQXZRSO-UHFFFAOYSA-N 1 0 273.380 2.552 40 0 CFABRO O=C(OCc1ccccc1)N1CCC[C@]2(CCCC[NH2+]2)C1 ZINC000098214125 375610808 /nfs/dbraw/zinc/61/08/08/375610808.db2.gz FCRQEWVYELAYNL-QGZVFWFLSA-N 1 0 288.391 2.931 40 0 CFABRO Fc1cccc(Oc2cncc([C@@H]3CCC[NH2+]C3)n2)c1 ZINC000257197926 190010304 /nfs/dbraw/zinc/01/03/04/190010304.db2.gz NNGAVVJPHQJWSC-LLVKDONJSA-N 1 0 273.311 2.875 40 0 CFABRO O[C@H]1C[N@H+](Cc2cc3ccccc3o2)CC[C@@]12CCCO2 ZINC000257200010 190011075 /nfs/dbraw/zinc/01/10/75/190011075.db2.gz ABQAAHQYKQNFJU-IRXDYDNUSA-N 1 0 287.359 2.549 40 0 CFABRO CCN1CCC([N@@H+]2CCC[C@@H]2c2ccnc(NC)c2)CC1 ZINC000257210327 190012193 /nfs/dbraw/zinc/01/21/93/190012193.db2.gz BUCGEQBKKHZNJV-MRXNPFEDSA-N 1 0 288.439 2.745 40 0 CFABRO Cc1cn(C)c([C@@H]2CC[N@H+](Cc3cccc(F)c3F)C2)n1 ZINC000257215939 190013111 /nfs/dbraw/zinc/01/31/11/190013111.db2.gz CSJIHWKMORKDLX-CYBMUJFWSA-N 1 0 291.345 2.996 40 0 CFABRO Fc1ccccc1C[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000257228712 190016059 /nfs/dbraw/zinc/01/60/59/190016059.db2.gz FUXZLGCYLHVNNU-CQSZACIVSA-N 1 0 271.339 2.995 40 0 CFABRO Cc1nccc([C@H]2CCC[N@@H+](Cc3cccn3C)C2)n1 ZINC000257232139 190017252 /nfs/dbraw/zinc/01/72/52/190017252.db2.gz GJOROFOYIPWOBK-AWEZNQCLSA-N 1 0 270.380 2.503 40 0 CFABRO Cc1c[nH]c(-c2cc([C@@H]3CC[N@@H+](C(C)C)C3)nc(C)n2)n1 ZINC000257255747 190020838 /nfs/dbraw/zinc/02/08/38/190020838.db2.gz KIRUGUVSGTVCDX-CYBMUJFWSA-N 1 0 285.395 2.681 40 0 CFABRO CN1CCC[C@H]2[N@H+](Cc3ccccn3)CCC[C@@]21C ZINC000257237701 190018130 /nfs/dbraw/zinc/01/81/30/190018130.db2.gz HHRRTVSCSIYRNU-CVEARBPZSA-N 1 0 259.397 2.530 40 0 CFABRO c1cc([C@@H]2CC[N@@H+](Cc3c[nH]c4ccccc34)C2)n[nH]1 ZINC000257259253 190021309 /nfs/dbraw/zinc/02/13/09/190021309.db2.gz KXNHWPAXVGYBCS-GFCCVEGCSA-N 1 0 266.348 2.881 40 0 CFABRO CN(C)Cc1c[nH]c([C@@H]2CC[N@H+](CCc3ccccc3)C2)n1 ZINC000257263119 190022210 /nfs/dbraw/zinc/02/22/10/190022210.db2.gz LOMVTHGBABEOCA-MRXNPFEDSA-N 1 0 298.434 2.503 40 0 CFABRO CCn1cc(C[N@@H+]2CCC[C@H](c3n[nH]cc3C)C2)c(C)n1 ZINC000257261821 190022308 /nfs/dbraw/zinc/02/23/08/190022308.db2.gz LIXRIXBXYTVJBY-AWEZNQCLSA-N 1 0 287.411 2.623 40 0 CFABRO CCc1nccn1-c1ccnc([C@@H]2CCC[N@H+](C)C2)c1 ZINC000257279464 190025429 /nfs/dbraw/zinc/02/54/29/190025429.db2.gz OGTZMKWMMWYSOL-CYBMUJFWSA-N 1 0 270.380 2.639 40 0 CFABRO O=c1nccc([C@H]2CCC[N@H+](CCc3ccccc3)C2)[nH]1 ZINC000257280423 190025838 /nfs/dbraw/zinc/02/58/38/190025838.db2.gz OKUGVVCEHKZSEZ-HNNXBMFYSA-N 1 0 283.375 2.604 40 0 CFABRO CC(C)[N@@H+]1CCC[C@H](Cc2cnc(-c3nccn3C)cn2)C1 ZINC000257285808 190026813 /nfs/dbraw/zinc/02/68/13/190026813.db2.gz PIZCFAXEJGDEJK-CQSZACIVSA-N 1 0 299.422 2.540 40 0 CFABRO CO[C@H]1C[N@H+](Cc2cccc3cccnc32)C[C@@]12CCCO2 ZINC000257286364 190027231 /nfs/dbraw/zinc/02/72/31/190027231.db2.gz PLHCRGCRBJWGFM-WMZOPIPTSA-N 1 0 298.386 2.615 40 0 CFABRO CNc1cc([C@H]2CCC[N@H+](CC3CCOCC3)C2)ccn1 ZINC000257295958 190028240 /nfs/dbraw/zinc/02/82/40/190028240.db2.gz RAPQSHROPBAMHV-INIZCTEOSA-N 1 0 289.423 2.729 40 0 CFABRO Cc1nn(C)c(C)c1C[N@@H+]1CCC[C@H](Cc2cccnc2)C1 ZINC000257298119 190029830 /nfs/dbraw/zinc/02/98/30/190029830.db2.gz RKFRCMGKDQJCFP-QGZVFWFLSA-N 1 0 298.434 2.887 40 0 CFABRO CC(C)[C@@H]1COC(=O)N1c1cccc(C2CC[NH2+]CC2)n1 ZINC000257303084 190030146 /nfs/dbraw/zinc/03/01/46/190030146.db2.gz SFRORZJTRDGXMN-AWEZNQCLSA-N 1 0 289.379 2.530 40 0 CFABRO C[N@@H+]1CC[C@H](Cc2cccc(-c3nccs3)n2)C1 ZINC000257312539 190031934 /nfs/dbraw/zinc/03/19/34/190031934.db2.gz UOLAQFIRKVZIDE-LLVKDONJSA-N 1 0 259.378 2.699 40 0 CFABRO c1ccc(C[N@H+]2CCOC[C@@H](Cc3ccccn3)C2)cc1 ZINC000257326844 190035204 /nfs/dbraw/zinc/03/52/04/190035204.db2.gz WYVIEYPVWTXGPD-KRWDZBQOSA-N 1 0 282.387 2.773 40 0 CFABRO CCn1cc(C[N@@H+]2CCC[C@H]2c2ccnc(NC)c2)cn1 ZINC000257333320 190035398 /nfs/dbraw/zinc/03/53/98/190035398.db2.gz YBBZUGBREMXUGC-HNNXBMFYSA-N 1 0 285.395 2.677 40 0 CFABRO C[C@@]1(CNC(=O)OCc2ccccc2)CCCC[NH2+]C1 ZINC000261508693 190040051 /nfs/dbraw/zinc/04/00/51/190040051.db2.gz VXSWNQTWICUDLF-MRXNPFEDSA-N 1 0 276.380 2.693 40 0 CFABRO CCn1nccc1-c1cnc([C@H]2CCC[N@@H+](C(C)C)C2)cn1 ZINC000257342775 190037629 /nfs/dbraw/zinc/03/76/29/190037629.db2.gz ZQDDFDBVNHNFQS-AWEZNQCLSA-N 1 0 299.422 2.948 40 0 CFABRO c1csc([C@@H]2CCC[N@@H+](Cc3ccncc3)C2)n1 ZINC000130321367 377539329 /nfs/dbraw/zinc/53/93/29/377539329.db2.gz ZBPCAFGMNMXGIZ-CYBMUJFWSA-N 1 0 259.378 2.918 40 0 CFABRO Cc1ccc(SCCNC(=O)C2CC[NH+](C)CC2)cc1 ZINC000174639354 379922777 /nfs/dbraw/zinc/92/27/77/379922777.db2.gz VPOAKDMQSBICJH-UHFFFAOYSA-N 1 0 292.448 2.545 40 0 CFABRO CCN(CC)[C@H](C[NH3+])c1ccccc1Br ZINC000019511754 284811142 /nfs/dbraw/zinc/81/11/42/284811142.db2.gz NMNMDAISTBJLOG-GFCCVEGCSA-N 1 0 271.202 2.791 40 0 CFABRO Cc1cccc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2ccccn2)n1 ZINC000306140903 382452738 /nfs/dbraw/zinc/45/27/38/382452738.db2.gz VGMMNRHFPGMNPO-IAGOWNOFSA-N 1 0 294.402 2.638 40 0 CFABRO C1C[NH2+]C[C@H](c2nc([C@@H]3CCCSCC3)no2)C1 ZINC000575415204 382770294 /nfs/dbraw/zinc/77/02/94/382770294.db2.gz ZWUUFUZAOIZTDM-GHMZBOCLSA-N 1 0 267.398 2.537 40 0 CFABRO c1csc(CCN2CC[NH2+][C@H]3CCCC[C@H]32)c1 ZINC000218831376 382791041 /nfs/dbraw/zinc/79/10/41/382791041.db2.gz CFVCBVTVWWLKNC-UONOGXRCSA-N 1 0 250.411 2.507 40 0 CFABRO COCCC[NH2+]Cc1cccn1-c1ccccc1C ZINC000223679620 382806124 /nfs/dbraw/zinc/80/61/24/382806124.db2.gz LPNTYBBCQGAKPJ-UHFFFAOYSA-N 1 0 258.365 2.912 40 0 CFABRO COCC[NH2+]Cc1cccn1-c1ccc(C)cc1C ZINC000223681125 382806415 /nfs/dbraw/zinc/80/64/15/382806415.db2.gz NUMRSHZGMSOKEB-UHFFFAOYSA-N 1 0 258.365 2.830 40 0 CFABRO COc1cccc(CC[NH2+]Cc2cnn(C(C)C)c2)c1 ZINC000226241263 382825352 /nfs/dbraw/zinc/82/53/52/382825352.db2.gz CIUBJSNYNRFJGG-UHFFFAOYSA-N 1 0 273.380 2.805 40 0 CFABRO C[NH+]1CCC(c2cc(C(F)(F)F)n3ccnc3n2)CC1 ZINC000257281847 383494241 /nfs/dbraw/zinc/49/42/41/383494241.db2.gz ORFMKASUUHOQDX-UHFFFAOYSA-N 1 0 284.285 2.557 40 0 CFABRO Fc1ccc(-c2cnc3nccc([C@H]4CC[NH2+]C4)n23)cc1 ZINC000257283855 383494836 /nfs/dbraw/zinc/49/48/36/383494836.db2.gz PADNZXPQEZQRJZ-LBPRGKRZSA-N 1 0 282.322 2.612 40 0 CFABRO c1ccc(Cc2ccccc2OCC2=[NH+]CCN2)cc1 ZINC000005603729 260018599 /nfs/dbraw/zinc/01/85/99/260018599.db2.gz PUYVIMOGYAXDFR-UHFFFAOYSA-N 1 0 266.344 2.658 40 0 CFABRO [NH3+]Cc1ccccc1CN1CCOc2ccccc21 ZINC000242723137 256697945 /nfs/dbraw/zinc/69/79/45/256697945.db2.gz YEDZCHSNGDWFLQ-UHFFFAOYSA-N 1 0 254.333 2.544 40 0 CFABRO Cc1cccc(CN2C(=O)CCC23CC[NH+](C)CC3)c1 ZINC000096228250 256828309 /nfs/dbraw/zinc/82/83/09/256828309.db2.gz KVRVOOJVGLKJIU-UHFFFAOYSA-N 1 0 272.392 2.582 40 0 CFABRO Cc1cc(-c2noc(CC[NH3+])n2)cc(C)c1OCC(C)C ZINC000095095366 184943120 /nfs/dbraw/zinc/94/31/20/184943120.db2.gz AOODPINDAUKGIV-UHFFFAOYSA-N 1 0 289.379 2.889 40 0 CFABRO CCc1ccc(OC[C@@H](O)C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000037530361 393532214 /nfs/dbraw/zinc/53/22/14/393532214.db2.gz IHWQFPMIIUIMNO-ZOBUZTSGSA-N 1 0 291.435 2.967 40 0 CFABRO CCc1ccc(OC[C@H](O)C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000037530359 393532522 /nfs/dbraw/zinc/53/25/22/393532522.db2.gz IHWQFPMIIUIMNO-YQQAZPJKSA-N 1 0 291.435 2.967 40 0 CFABRO CNc1ncc(C[NH2+][C@H](C)CCc2ccccc2)cn1 ZINC000062717490 393627429 /nfs/dbraw/zinc/62/74/29/393627429.db2.gz LPRRIKCOBUSTJS-CYBMUJFWSA-N 1 0 270.380 2.629 40 0 CFABRO CCCC[N@@H+]1CCC[C@H]1c1ccc(N2CCOCC2)nc1 ZINC000072216168 393645465 /nfs/dbraw/zinc/64/54/65/393645465.db2.gz NHSHSYMGWXTPSS-INIZCTEOSA-N 1 0 289.423 2.855 40 0 CFABRO CCN(C)c1ncc([C@@H]([NH3+])c2ccccc2)cc1C ZINC000072222209 393646277 /nfs/dbraw/zinc/64/62/77/393646277.db2.gz RHLUQTBIGPUKAT-HNNXBMFYSA-N 1 0 255.365 2.894 40 0 CFABRO CCN(CC)c1ccc([C@@H]([NH3+])c2ccccc2)cn1 ZINC000072225267 393647494 /nfs/dbraw/zinc/64/74/94/393647494.db2.gz UNOYQJOXIMRGOG-INIZCTEOSA-N 1 0 255.365 2.976 40 0 CFABRO Cc1cc(N2CCCc3ccccc32)ncc1C[NH3+] ZINC000072223912 393647514 /nfs/dbraw/zinc/64/75/14/393647514.db2.gz UBHBMLCICCDBPJ-UHFFFAOYSA-N 1 0 253.349 2.933 40 0 CFABRO Cc1cc(Nc2cccc([C@H]3CCC[N@H+]3C)n2)no1 ZINC000072375108 393650436 /nfs/dbraw/zinc/65/04/36/393650436.db2.gz OMGDVPIBTNRZKP-GFCCVEGCSA-N 1 0 258.325 2.888 40 0 CFABRO FC(F)(F)c1nc2c(n1-c1ccccc1)CC[NH2+]C2 ZINC000085400370 393752333 /nfs/dbraw/zinc/75/23/33/393752333.db2.gz GMJCJVOSRDPIAY-UHFFFAOYSA-N 1 0 267.254 2.537 40 0 CFABRO O=C(c1ccco1)N1CC[C@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000238927866 393796989 /nfs/dbraw/zinc/79/69/89/393796989.db2.gz UUOLSNIQAIHWIK-INIZCTEOSA-N 1 0 296.370 2.552 40 0 CFABRO c1ccc(C[C@@H]2CN(c3ccccc3)CC[NH2+]2)cc1 ZINC000086125390 135039397 /nfs/dbraw/zinc/03/93/97/135039397.db2.gz WYALVWYXZVGLQQ-MRXNPFEDSA-N 1 0 252.361 2.708 40 0 CFABRO COc1ccc(Cl)cc1-c1noc(C2CC[NH2+]CC2)n1 ZINC000072209113 397590490 /nfs/dbraw/zinc/59/04/90/397590490.db2.gz URYDHLWIJHTFKW-UHFFFAOYSA-N 1 0 293.754 2.866 40 0 CFABRO COc1ccc(OC[C@@H](O)C[NH+]2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000005723355 286346391 /nfs/dbraw/zinc/34/63/91/286346391.db2.gz OXMWHERAWFMKDW-KKUMJFAQSA-N 1 0 293.407 2.698 40 0 CFABRO Cc1ccc2c(c1)N1C(=O)OC[C@@H]1CC[N@@H+](C(C)C)C2 ZINC000225488104 292335782 /nfs/dbraw/zinc/33/57/82/292335782.db2.gz WUXSRLIUHBFSOE-AWEZNQCLSA-N 1 0 274.364 2.934 40 0 biogenic,in-vitro CFABRO O[C@H]1CCC[C@H]1[NH2+]Cc1ccnc2cc(Cl)ccc12 ZINC000004792281 170017852 /nfs/dbraw/zinc/01/78/52/170017852.db2.gz ZUCPGPIGZFLXJY-HIFRSBDPSA-N 1 0 276.767 2.891 40 0 CFABRO OC12CC3C[C@H](C1)C([NH2+]Cc1ccccc1)[C@@H](C3)C2 ZINC000004858107 170031690 /nfs/dbraw/zinc/03/16/90/170031690.db2.gz AFYONXZDFSWICD-HXGYVLDSSA-N 1 0 257.377 2.716 40 0 CFABRO [NH3+][C@]1(c2ccccc2)CON=C(c2ccccc2)C1 ZINC000005640209 170122908 /nfs/dbraw/zinc/12/29/08/170122908.db2.gz VPZLBDBUTFWVGR-INIZCTEOSA-N 1 0 252.317 2.665 40 0 CFABRO O=Cc1ccc(OC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1O ZINC000005943971 170160465 /nfs/dbraw/zinc/16/04/65/170160465.db2.gz ZHLARUGYDIKKSN-GOEBONIOSA-N 1 0 289.375 2.848 40 0 CFABRO COc1ccc([C@@H](Cc2ccccc2)[NH2+]CCO)cc1 ZINC000006484440 170204675 /nfs/dbraw/zinc/20/46/75/170204675.db2.gz UXQHCKLFFBBVDU-QGZVFWFLSA-N 1 0 271.360 2.561 40 0 CFABRO Cc1nc(-c2ccccc2)ncc1[C@@H](O)C[NH+]1CCCCC1 ZINC000006520561 170208903 /nfs/dbraw/zinc/20/89/03/170208903.db2.gz JBZAPFOKZOFHDO-KRWDZBQOSA-N 1 0 297.402 2.971 40 0 CFABRO COc1ccccc1C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000013668983 170575446 /nfs/dbraw/zinc/57/54/46/170575446.db2.gz TXEJWQDZJAPJEI-UHFFFAOYSA-N 1 0 290.407 2.547 40 0 CFABRO OC1CC[NH+](Cc2ccccc2OCc2ccccn2)CC1 ZINC000019348879 170776296 /nfs/dbraw/zinc/77/62/96/170776296.db2.gz LBFPICQSKGQEMV-UHFFFAOYSA-N 1 0 298.386 2.617 40 0 CFABRO O=C(Nc1ccc(C(F)(F)F)cc1)C1CC[NH2+]CC1 ZINC000019411745 170790045 /nfs/dbraw/zinc/79/00/45/170790045.db2.gz AKUJGHBUJMJOCE-UHFFFAOYSA-N 1 0 272.270 2.644 40 0 CFABRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(N)=S)cc1 ZINC000020160471 171039967 /nfs/dbraw/zinc/03/99/67/171039967.db2.gz NXRZCACJVXUBDQ-LLVKDONJSA-N 1 0 263.410 2.717 40 0 CFABRO C[C@@H]1CCCN([C@@H](C[NH3+])c2ccc(F)cc2F)C1 ZINC000022170805 171367534 /nfs/dbraw/zinc/36/75/34/171367534.db2.gz ZERAQKLSEVJDKP-YGRLFVJLSA-N 1 0 254.324 2.697 40 0 CFABRO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@@H](O)COc1ccccc1F ZINC000026781718 171499787 /nfs/dbraw/zinc/49/97/87/171499787.db2.gz SYZNNDXAQKBPAB-MGPQQGTHSA-N 1 0 281.371 2.828 40 0 CFABRO COCCC[NH2+]Cc1cccn1Cc1ccccc1 ZINC000035293073 172105773 /nfs/dbraw/zinc/10/57/73/172105773.db2.gz LIELMAPGTDAJTQ-UHFFFAOYSA-N 1 0 258.365 2.663 40 0 CFABRO C[C@H]([NH2+]Cc1ccc2c(c1)OCO2)C(=O)Nc1ccccc1 ZINC000035312107 172122784 /nfs/dbraw/zinc/12/27/84/172122784.db2.gz XPJJLRRNCWGTFV-LBPRGKRZSA-N 1 0 298.342 2.532 40 0 CFABRO [NH3+][C@@H]1CCCN(Cc2ccc(Cl)c(Cl)c2)C1 ZINC000038539770 174145530 /nfs/dbraw/zinc/14/55/30/174145530.db2.gz XAWXXOULXFCLHF-SNVBAGLBSA-N 1 0 259.180 2.917 40 0 CFABRO CCOc1ccc([C@H](C[NH3+])N2CCC(C)CC2)cc1 ZINC000038827576 174155819 /nfs/dbraw/zinc/15/58/19/174155819.db2.gz MUXBGKIJXFENMZ-INIZCTEOSA-N 1 0 262.397 2.817 40 0 CFABRO O=C(Cc1ccccc1F)NCCC[NH+]1CCCCCC1 ZINC000057288943 175590732 /nfs/dbraw/zinc/59/07/32/175590732.db2.gz WKEGUDCRMBMLQE-UHFFFAOYSA-N 1 0 292.398 2.751 40 0 CFABRO Clc1ccc(CNC[C@@H]2CCC[NH2+]2)c(Cl)c1 ZINC000072203622 176341544 /nfs/dbraw/zinc/34/15/44/176341544.db2.gz JRBJVDKYXRKKMM-NSHDSACASA-N 1 0 259.180 2.835 40 0 CFABRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(Br)o1 ZINC000072324719 176369651 /nfs/dbraw/zinc/36/96/51/176369651.db2.gz KJAVUNFFXFBSSK-GHMZBOCLSA-N 1 0 299.212 2.711 40 0 CFABRO CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCC[NH2+]1 ZINC000072343638 176372154 /nfs/dbraw/zinc/37/21/54/176372154.db2.gz DCMOWVIXQCHEGD-NSHDSACASA-N 1 0 288.416 2.946 40 0 CFABRO Cc1cccc(-c2nccnc2[C@H]2CCC[NH2+]C2)c1 ZINC000072356373 176375768 /nfs/dbraw/zinc/37/57/68/176375768.db2.gz KWDVRUCEQGJVAS-AWEZNQCLSA-N 1 0 253.349 2.919 40 0 CFABRO Cc1cccc(Nc2cnc([C@@H]3CCC[N@@H+](C)C3)cn2)n1 ZINC000072361549 176377666 /nfs/dbraw/zinc/37/76/66/176377666.db2.gz GIYJDXUIDTUTRS-CYBMUJFWSA-N 1 0 283.379 2.733 40 0 CFABRO Cc1nc(C2CC[NH+](CCc3ccccc3)CC2)no1 ZINC000072363751 176378060 /nfs/dbraw/zinc/37/80/60/176378060.db2.gz JIXIIJXQBVQIBI-UHFFFAOYSA-N 1 0 271.364 2.800 40 0 CFABRO COc1ccccc1Cc1cnc([C@@H]2CCC[NH2+]C2)cn1 ZINC000072365271 176380746 /nfs/dbraw/zinc/38/07/46/176380746.db2.gz IJZXINBYVYDHJX-CQSZACIVSA-N 1 0 283.375 2.543 40 0 CFABRO CC(C)[N@@H+]1CCC[C@H]1CCc1cc(-c2cncnc2)ncn1 ZINC000072365399 176380803 /nfs/dbraw/zinc/38/08/03/176380803.db2.gz MCRHJOZMENDLRJ-INIZCTEOSA-N 1 0 297.406 2.739 40 0 CFABRO CCc1nccn1-c1cccc([C@H]2CCC[N@H+](C)C2)n1 ZINC000072379100 176385579 /nfs/dbraw/zinc/38/55/79/176385579.db2.gz MBVWYFWVKYTOOA-ZDUSSCGKSA-N 1 0 270.380 2.639 40 0 CFABRO Cc1nc(-c2ccc(Cl)cc2)cc(C2C[NH2+]C2)n1 ZINC000072384549 176388596 /nfs/dbraw/zinc/38/85/96/176388596.db2.gz ARQPPRWFFOLTSE-UHFFFAOYSA-N 1 0 259.740 2.792 40 0 CFABRO c1csc(C[C@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000072385048 176389238 /nfs/dbraw/zinc/38/92/38/176389238.db2.gz VPMKXDBGTNYNMV-CYBMUJFWSA-N 1 0 273.405 2.993 40 0 CFABRO c1nc(NC2CCCCC2)cnc1C[C@H]1CCC[NH2+]C1 ZINC000072386440 176391853 /nfs/dbraw/zinc/39/18/53/176391853.db2.gz ZZCKBMDOARKGIY-CYBMUJFWSA-N 1 0 274.412 2.763 40 0 CFABRO COCCNc1ccc([C@@H]2CCC[N@@H+](C(C)C)C2)nc1 ZINC000072386657 176392136 /nfs/dbraw/zinc/39/21/36/176392136.db2.gz UVAMNNHPFPFCDK-CQSZACIVSA-N 1 0 277.412 2.728 40 0 CFABRO COCCNc1ccc([C@H]2CCC[N@@H+](C(C)C)C2)nc1 ZINC000072386656 176392161 /nfs/dbraw/zinc/39/21/61/176392161.db2.gz UVAMNNHPFPFCDK-AWEZNQCLSA-N 1 0 277.412 2.728 40 0 CFABRO Fc1ccc(-c2cnc([C@@H]3CCC[NH2+]C3)cn2)cc1F ZINC000072386775 176392255 /nfs/dbraw/zinc/39/22/55/176392255.db2.gz LDEKTZQDLVVGAG-LLVKDONJSA-N 1 0 275.302 2.889 40 0 CFABRO c1csc(C[NH+]2CCC(c3[nH]nc4nccnc43)CC2)c1 ZINC000072393754 176394319 /nfs/dbraw/zinc/39/43/19/176394319.db2.gz SBGKPCBYXTWVCI-UHFFFAOYSA-N 1 0 299.403 2.794 40 0 CFABRO c1ccc(C[N@@H+]2CCC[C@H](c3[nH]nc4nccnc43)C2)cc1 ZINC000072393818 176394481 /nfs/dbraw/zinc/39/44/81/176394481.db2.gz PCACIDHYKVUZAT-AWEZNQCLSA-N 1 0 293.374 2.733 40 0 CFABRO Fc1cccc2c(N3CC[NH2+]CC3)cc(C(F)(F)F)nc12 ZINC000002243384 274914757 /nfs/dbraw/zinc/91/47/57/274914757.db2.gz JPOBXWMBLUOGGO-UHFFFAOYSA-N 1 0 299.271 2.802 40 0 CFABRO Brc1ccc(C[C@H]2CCC[NH2+]C2)cc1 ZINC000011630905 275369516 /nfs/dbraw/zinc/36/95/16/275369516.db2.gz GWFAWWSALMDGHA-LLVKDONJSA-N 1 0 254.171 2.991 40 0 CFABRO Brc1ccc2c(c1)CCC[C@]21CC[NH2+]1 ZINC000306145278 275370782 /nfs/dbraw/zinc/37/07/82/275370782.db2.gz AGKUCMUNPRFTAS-LBPRGKRZSA-N 1 0 252.155 2.974 40 0 CFABRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]Cc2ccccn2)C1 ZINC000043324323 275519455 /nfs/dbraw/zinc/51/94/55/275519455.db2.gz LRSLPXWROXDKQD-AWEZNQCLSA-N 1 0 291.395 2.571 40 0 CFABRO C/C=C\[C@@](O)(C(=O)OC1CC[NH+](C)CC1)C1CCCCC1 ZINC000005954584 275732362 /nfs/dbraw/zinc/73/23/62/275732362.db2.gz MGXDQTQGWGFXKM-IUVAIIAUSA-N 1 0 295.423 2.511 40 0 CFABRO C[N@@H+]1CCC[C@H]1c1ccnc(N2C(=O)OCC2(C)C)c1 ZINC000257203541 277082745 /nfs/dbraw/zinc/08/27/45/277082745.db2.gz AQNCAXRJOCLMPH-LBPRGKRZSA-N 1 0 275.352 2.584 40 0 CFABRO C[N@@H+]1CC[C@@H]2[C@@H](C1)c1ccccc1[C@]2(O)c1ccccc1 ZINC000005700908 277155182 /nfs/dbraw/zinc/15/51/82/277155182.db2.gz NDJFIWYEZXIUMO-QXAKKESOSA-N 1 0 279.383 2.971 40 0 CFABRO CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C1CC1 ZINC000079437081 277201371 /nfs/dbraw/zinc/20/13/71/277201371.db2.gz IMSIMDSWINKNOO-VXGBXAGGSA-N 1 0 254.374 2.574 40 0 CFABRO C[N@@H+]1[C@@H](c2ccccc2)CNC(=O)C[C@H]1c1ccccc1 ZINC000001719798 277214074 /nfs/dbraw/zinc/21/40/74/277214074.db2.gz BBZYRNUKBWYENE-DLBZAZTESA-N 1 0 280.371 2.921 40 0 CFABRO C[C@@H]([NH3+])c1nnc(-c2ccc(C(F)(F)F)cc2)[nH]1 ZINC000082752529 278318940 /nfs/dbraw/zinc/31/89/40/278318940.db2.gz BRMVUALUFNFWEW-ZCFIWIBFSA-N 1 0 256.231 2.510 40 0 CFABRO Cc1cc(-c2ccc(Br)cc2)[n+](C)n1C ZINC000001852044 278618616 /nfs/dbraw/zinc/61/86/16/278618616.db2.gz SRYDJEHTNRXWOM-UHFFFAOYSA-N 1 0 266.162 2.588 40 0 CFABRO Cc1cc(N(C)C)cc([C@H]2CCCN2Cc2ncc[nH]2)[nH+]1 ZINC000072380958 278703561 /nfs/dbraw/zinc/70/35/61/278703561.db2.gz FKQACOPJTZQANO-OAHLLOKOSA-N 1 0 285.395 2.516 40 0 CFABRO CC(C)[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000079437055 279604671 /nfs/dbraw/zinc/60/46/71/279604671.db2.gz DGOMFIXMWCIEBX-UHFFFAOYSA-N 1 0 256.390 2.820 40 0 CFABRO COc1ccccc1-c1nccnc1[C@@H]1CCC[N@H+](C)C1 ZINC000072358365 295344190 /nfs/dbraw/zinc/34/41/90/295344190.db2.gz HWOMGZYOEPKVLI-CYBMUJFWSA-N 1 0 283.375 2.961 40 0 CFABRO COc1ccccc1-c1nccnc1[C@@H]1CCC[NH2+]C1 ZINC000072356380 295344756 /nfs/dbraw/zinc/34/47/56/295344756.db2.gz PXRHMQVLLOFYKP-GFCCVEGCSA-N 1 0 269.348 2.619 40 0 CFABRO CCNc1ncc(C[NH2+]CCC2=CCCCC2)cn1 ZINC000062717571 333175825 /nfs/dbraw/zinc/17/58/25/333175825.db2.gz NHISKKGYZREKRS-UHFFFAOYSA-N 1 0 260.385 2.889 40 0 CFABRO Cc1cc(C)nc(NCC[NH2+]Cc2ccccc2C)n1 ZINC000062717868 333176034 /nfs/dbraw/zinc/17/60/34/333176034.db2.gz ATUQNHMOOGCLGP-UHFFFAOYSA-N 1 0 270.380 2.604 40 0 CFABRO Cc1cc(C)nc(NCCC[NH2+]Cc2ccccc2F)n1 ZINC000062717867 333176176 /nfs/dbraw/zinc/17/61/76/333176176.db2.gz MRXPEHQGSIHRKH-UHFFFAOYSA-N 1 0 288.370 2.824 40 0 CFABRO CC[N@H+](CCCCO)CCc1c[nH]c2ccc(OC)cc12 ZINC000001605328 517646622 /nfs/dbraw/zinc/64/66/22/517646622.db2.gz NNCURBWKGYHYFU-UHFFFAOYSA-N 1 0 290.407 2.813 40 0 CFABRO CCC[NH+](CCC)CCc1nc(-c2ccc(N)cc2)n[nH]1 ZINC000062719548 521647133 /nfs/dbraw/zinc/64/71/33/521647133.db2.gz PXLRVDNMHFDFPW-UHFFFAOYSA-N 1 0 287.411 2.718 40 0 CFABRO C[NH+](C)CCNc1ncc(-c2ccco2)c(-c2ccco2)n1 ZINC000012253124 521791822 /nfs/dbraw/zinc/79/18/22/521791822.db2.gz SMQIFYADRHPICD-UHFFFAOYSA-N 1 0 298.346 2.970 40 0 CFABRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@]1(CO)C(F)(F)F ZINC000228906515 524633023 /nfs/dbraw/zinc/63/30/23/524633023.db2.gz YRQQNNUMEBZONG-AAEUAGOBSA-N 1 0 273.298 2.679 40 0 CFABRO CCOC[C@]12CCCO[C@@H]1CC[N@H+](Cc1ccoc1)C2 ZINC000096039311 185069399 /nfs/dbraw/zinc/06/93/99/185069399.db2.gz KRLYSIGFBFAJGL-HZPDHXFCSA-N 1 0 279.380 2.687 40 0 CFABRO COC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1cccs1)C2 ZINC000096038966 185069509 /nfs/dbraw/zinc/06/95/09/185069509.db2.gz PBHNFRYUBRNYML-CABCVRRESA-N 1 0 281.421 2.766 40 0 CFABRO CCN1CCOC[C@@]2(CCC[N@H+](Cc3cccs3)C2)C1 ZINC000096049588 185072710 /nfs/dbraw/zinc/07/27/10/185072710.db2.gz WCKVCQFOWLASCT-INIZCTEOSA-N 1 0 294.464 2.682 40 0 CFABRO Cc1ccc(C[N@@H+]2C[C@H]3CN(c4ccccc4)C(=O)[C@@H]3C2)o1 ZINC000096053581 185073712 /nfs/dbraw/zinc/07/37/12/185073712.db2.gz YMRVJIYUICGOAF-WMLDXEAASA-N 1 0 296.370 2.683 40 0 CFABRO c1csc(C[N@@H+]2C[C@H]3CN(Cc4cccnc4)C[C@H]3C2)c1 ZINC000096053723 185074710 /nfs/dbraw/zinc/07/47/10/185074710.db2.gz ACJOLGHVDXJSNP-IYBDPMFKSA-N 1 0 299.443 2.707 40 0 CFABRO c1cc(C[NH+]2C[C@H]3CN(Cc4cccnc4)C[C@@H]3C2)cs1 ZINC000096053728 185074917 /nfs/dbraw/zinc/07/49/17/185074917.db2.gz ZKJRVYIHLDIHNC-IAGOWNOFSA-N 1 0 299.443 2.707 40 0 CFABRO CO[C@@H]1CC[N@H+](Cc2ccoc2)[C@H]1Cc1cccnc1 ZINC000096069823 185085264 /nfs/dbraw/zinc/08/52/64/185085264.db2.gz DEADBMLFTDILKT-JKSUJKDBSA-N 1 0 272.348 2.507 40 0 CFABRO COc1ccc(C(=O)C[NH2+]Cc2ccccc2)cc1OC ZINC000049883156 346486846 /nfs/dbraw/zinc/48/68/46/346486846.db2.gz HUDUUWWECOLRTA-UHFFFAOYSA-N 1 0 285.343 2.676 40 0 CFABRO CCOC(=O)[C@H]1CC[NH2+][C@H]1c1cccc(Cl)c1 ZINC000257197714 348305848 /nfs/dbraw/zinc/30/58/48/348305848.db2.gz GWHBQUVPHPDSTR-RYUDHWBXSA-N 1 0 253.729 2.554 40 0 CFABRO CCOC(=O)[C@H]1CC[NH2+][C@@H]1c1ccc(Cl)cc1 ZINC000257197627 348305967 /nfs/dbraw/zinc/30/59/67/348305967.db2.gz FFLHGTIFZICCAR-NWDGAFQWSA-N 1 0 253.729 2.554 40 0 CFABRO CO[C@H]1CC[N@H+](Cc2c[nH]nc2C)C[C@H]1Cc1ccccc1 ZINC000585273362 348738891 /nfs/dbraw/zinc/73/88/91/348738891.db2.gz CWROKGOPRPPCQK-AEFFLSMTSA-N 1 0 299.418 2.798 40 0 CFABRO c1ccc(CO[C@@H]2CSC3(C[NH+](C4CCC4)C3)C2)nc1 ZINC000585105316 348734119 /nfs/dbraw/zinc/73/41/19/348734119.db2.gz SXOYVNLUELCKED-HNNXBMFYSA-N 1 0 290.432 2.711 40 0 CFABRO CC(C)[NH+]1CC2(C1)C[C@H](Oc1ncccc1F)CS2 ZINC000585105359 348734675 /nfs/dbraw/zinc/73/46/75/348734675.db2.gz UZCXTJSCYVGWAI-NSHDSACASA-N 1 0 282.384 2.568 40 0 CFABRO c1nn(CCCc2ccccc2)cc1C1CC[NH2+]CC1 ZINC000585143085 348737001 /nfs/dbraw/zinc/73/70/01/348737001.db2.gz SKFKOSWNEYSJGT-UHFFFAOYSA-N 1 0 269.392 2.983 40 0 CFABRO CCCOC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000606451966 351272599 /nfs/dbraw/zinc/27/25/99/351272599.db2.gz PRMWWEANNQSWAR-LSDHHAIUSA-N 1 0 261.365 2.866 40 0 CFABRO C[N@@H+]1CCCC[C@H](CNC(=O)NC[C@@H]2CCC[C@H](F)C2)C1 ZINC000685939056 539988720 /nfs/dbraw/zinc/98/87/20/539988720.db2.gz BXMBZPLOZWNGCA-KFWWJZLASA-N 1 0 299.434 2.546 40 0 CFABRO Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCN3c2ncc(C)cn2)o1 ZINC000306130226 540166169 /nfs/dbraw/zinc/16/61/69/540166169.db2.gz IZMZZAPECJEEMO-HZPDHXFCSA-N 1 0 298.390 2.540 40 0 CFABRO CNc1nc(NCc2cccc(Cl)c2)cc(C2CC2)[nH+]1 ZINC000328965638 202132377 /nfs/dbraw/zinc/13/23/77/202132377.db2.gz CERKZWJYLLLYHK-UHFFFAOYSA-N 1 0 288.782 2.505 40 0 CFABRO Cc1ccccc1CNc1cc(C2CC2)[nH+]c(NC2CC2)n1 ZINC000328981814 202139653 /nfs/dbraw/zinc/13/96/53/202139653.db2.gz GWSWYZHGZDHWDB-UHFFFAOYSA-N 1 0 294.402 2.693 40 0 CFABRO Cc1ccc(C[N@@H+](CC(C)C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000575422743 540279027 /nfs/dbraw/zinc/27/90/27/540279027.db2.gz WJOFMNGUXNSJJN-INIZCTEOSA-N 1 0 295.448 2.640 40 0 CFABRO CC(=O)O[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)[C@H]1C ZINC000000111484 371532388 /nfs/dbraw/zinc/53/23/88/371532388.db2.gz CESFOVNVFNXRAX-WWGRRREGSA-N 1 0 261.365 2.849 40 0 CFABRO CC(C)[NH2+]C[C@H](O)CCCNc1ccc(Cl)cc1 ZINC000001599093 371686627 /nfs/dbraw/zinc/68/66/27/371686627.db2.gz UYUYBMQWNJQQAB-CQSZACIVSA-N 1 0 270.804 2.891 40 0 CFABRO COC(=O)[C@H]1C=CC[C@@H]2CCCC[C@]12[NH+]1CCCC1 ZINC000001620210 371688776 /nfs/dbraw/zinc/68/87/76/371688776.db2.gz KGVIFVCQEQXNSN-SQWLQELKSA-N 1 0 263.381 2.760 40 0 CFABRO COCC[NH2+][C@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000001667127 371693333 /nfs/dbraw/zinc/69/33/33/371693333.db2.gz ACUVMRHAWWNSHA-IAGOWNOFSA-N 1 0 271.360 2.697 40 0 CFABRO Cc1cccc(OC[C@H](O)C[NH+]2[C@H](C)CCC[C@H]2C)c1 ZINC000002696081 371746529 /nfs/dbraw/zinc/74/65/29/371746529.db2.gz SSKLSJSAMGIPNT-BZUAXINKSA-N 1 0 277.408 2.998 40 0 CFABRO CC[C@@H](OC[C@H](O)C[NH2+]C(C)C)c1ccccc1 ZINC000002694588 371746619 /nfs/dbraw/zinc/74/66/19/371746619.db2.gz XECFMMKOXGMUIT-HUUCEWRRSA-N 1 0 251.370 2.513 40 0 CFABRO CC(C)(C)OC(=O)CCc1csc(CC[NH3+])c1 ZINC000002599328 371741566 /nfs/dbraw/zinc/74/15/66/371741566.db2.gz KZUKIUTUXAZRLI-UHFFFAOYSA-N 1 0 255.383 2.524 40 0 CFABRO Cc1cccc(OC[C@H](O)C[N@H+]2CCCC[C@@H]2C)c1C ZINC000004305010 371849267 /nfs/dbraw/zinc/84/92/67/371849267.db2.gz WCIWGAPSFOBMTR-GOEBONIOSA-N 1 0 277.408 2.918 40 0 CFABRO COC(=O)[C@@H]1C[N@H+](C)CC[C@@H]1c1ccc(Cl)cc1 ZINC000013475011 372029897 /nfs/dbraw/zinc/02/98/97/372029897.db2.gz GDFVYUDIAQQDTA-CHWSQXEVSA-N 1 0 267.756 2.548 40 0 CFABRO Cc1cc(C[N@@H+]2CCC[C@@H](O)C2)c(C)n1Cc1ccco1 ZINC000013568250 372034139 /nfs/dbraw/zinc/03/41/39/372034139.db2.gz KYZYJUOMRVDTEY-MRXNPFEDSA-N 1 0 288.391 2.703 40 0 CFABRO Cn1cncc1C[N@@H+]1CCC[C@@H](c2cc3cccnc3[nH]2)C1 ZINC000019291833 372154723 /nfs/dbraw/zinc/15/47/23/372154723.db2.gz JJRFXNCHBIWKFJ-CQSZACIVSA-N 1 0 295.390 2.676 40 0 CFABRO c1cnc([C@@H]2CCC[N@@H+](Cc3ccc4c(c3)OCO4)C2)cn1 ZINC000019345756 372156652 /nfs/dbraw/zinc/15/66/52/372156652.db2.gz HPERNZVJVRDLLH-CQSZACIVSA-N 1 0 297.358 2.585 40 0 CFABRO c1ccc2c(c1)CCN[C@@H]2[C@H]1[NH2+]CCc2ccccc21 ZINC000019364652 372156708 /nfs/dbraw/zinc/15/67/08/372156708.db2.gz NDHNLLQPMVDMRO-ROUUACIJSA-N 1 0 264.372 2.760 40 0 CFABRO Cc1ccc(NC(=O)C2CC[NH2+]CC2)cc1Cl ZINC000019408892 372159410 /nfs/dbraw/zinc/15/94/10/372159410.db2.gz UMKOBCBQGDNSEG-UHFFFAOYSA-N 1 0 252.745 2.587 40 0 CFABRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc2ccccc2n1 ZINC000019575132 372175599 /nfs/dbraw/zinc/17/55/99/372175599.db2.gz JFSAATSINZRPLA-RHSMWYFYSA-N 1 0 281.403 2.903 40 0 CFABRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc(F)ccc1F ZINC000019575078 372176720 /nfs/dbraw/zinc/17/67/20/372176720.db2.gz DOUVFOWPBNBIAS-RISCZKNCSA-N 1 0 266.335 2.633 40 0 CFABRO Cc1ccc(CN(CC[NH+](C)C)Cc2cccc(C)n2)o1 ZINC000023247801 372255729 /nfs/dbraw/zinc/25/57/29/372255729.db2.gz WHORDEBUBTWUNT-UHFFFAOYSA-N 1 0 287.407 2.855 40 0 CFABRO CC(C)N(CC[NH3+])Cc1cccc(Br)c1 ZINC000032118445 372430527 /nfs/dbraw/zinc/43/05/27/372430527.db2.gz LDBRGDQXGCDYKQ-UHFFFAOYSA-N 1 0 271.202 2.618 40 0 CFABRO COc1cc(C[NH2+]C[C@@H]2CCCO2)ccc1OCC(C)C ZINC000032156542 372433884 /nfs/dbraw/zinc/43/38/84/372433884.db2.gz PNGCBQOVOLXFDZ-HNNXBMFYSA-N 1 0 293.407 2.999 40 0 CFABRO CCOc1ccccc1[C@H](C[NH3+])N1CCC[C@H](C)C1 ZINC000036092742 372556001 /nfs/dbraw/zinc/55/60/01/372556001.db2.gz BIRDXGURJZQORM-ZFWWWQNUSA-N 1 0 262.397 2.817 40 0 CFABRO Cc1cccc(NC(=O)COc2cccc(C[NH3+])c2)c1C ZINC000036720760 372587014 /nfs/dbraw/zinc/58/70/14/372587014.db2.gz ORDNAQHDQXKQGW-UHFFFAOYSA-N 1 0 284.359 2.780 40 0 CFABRO CC(C)[C@H]([NH3+])C(=O)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000037807585 372719122 /nfs/dbraw/zinc/71/91/22/372719122.db2.gz MNJNSWIVZUQIPM-AWEZNQCLSA-N 1 0 280.799 2.814 40 0 CFABRO [NH3+][C@H](Cc1ccccc1)c1nnc(-c2ccccc2)[nH]1 ZINC000042013481 372869607 /nfs/dbraw/zinc/86/96/07/372869607.db2.gz XRHLBWHTBQIMOC-CQSZACIVSA-N 1 0 264.332 2.714 40 0 CFABRO CC(C)O[C@H](C[NH3+])c1cccc(Br)c1 ZINC000043023096 372973505 /nfs/dbraw/zinc/97/35/05/372973505.db2.gz VXGCNHSBPUNINC-LLVKDONJSA-N 1 0 258.159 2.874 40 0 CFABRO Cc1nnc([C@H]2CC[N@H+](Cc3cnc4ccccc4c3)C2)o1 ZINC000049169168 373273271 /nfs/dbraw/zinc/27/32/71/373273271.db2.gz LLYOKKLDAFZMLS-HNNXBMFYSA-N 1 0 294.358 2.916 40 0 biogenic,in-vitro CFABRO Cc1nnc([C@H]2CC[N@H+](Cc3ccc(F)cc3)C2)o1 ZINC000049169196 373273320 /nfs/dbraw/zinc/27/33/20/373273320.db2.gz GRWDAJWJNNUSPB-LBPRGKRZSA-N 1 0 261.300 2.507 40 0 biogenic,in-vitro CFABRO Cc1nnc([C@H]2CC[N@H+](Cc3c[nH]c4ccccc34)C2)o1 ZINC000049169206 373273657 /nfs/dbraw/zinc/27/36/57/373273657.db2.gz QXAKVHJXXZFYCW-LBPRGKRZSA-N 1 0 282.347 2.849 40 0 biogenic,in-vitro CFABRO O=C(CCc1ccc(Cl)cc1)NCCC[NH+]1CCCC1 ZINC000054459935 373525806 /nfs/dbraw/zinc/52/58/06/373525806.db2.gz TUTZERVCNFVBIM-UHFFFAOYSA-N 1 0 294.826 2.875 40 0 CFABRO O=C(NCCC[NH+]1CCCCCC1)NC1CCCCC1 ZINC000057580574 373601962 /nfs/dbraw/zinc/60/19/62/373601962.db2.gz HKMHEFVKSAVDLX-UHFFFAOYSA-N 1 0 281.444 2.884 40 0 CFABRO CC1CC[NH+](CCCNC(=O)Cc2cccs2)CC1 ZINC000061553646 373719186 /nfs/dbraw/zinc/71/91/86/373719186.db2.gz DATCAPDMZPJUOY-UHFFFAOYSA-N 1 0 280.437 2.529 40 0 CFABRO [NH3+]C1(Cc2cccc(C(F)(F)F)c2)CCOCC1 ZINC000063077178 373784510 /nfs/dbraw/zinc/78/45/10/373784510.db2.gz XJXWDUXMIFWQEW-UHFFFAOYSA-N 1 0 259.271 2.756 40 0 CFABRO CC(C)(C)OC(=O)N1CCC[NH2+][C@@H](c2ccccc2)C1 ZINC000066348121 373925076 /nfs/dbraw/zinc/92/50/76/373925076.db2.gz ZBGZCHPIZQCUQC-CQSZACIVSA-N 1 0 276.380 2.958 40 0 CFABRO [NH3+]C[C@@H](Oc1cncc(Br)c1)c1ccccc1 ZINC000070486386 374187919 /nfs/dbraw/zinc/18/79/19/374187919.db2.gz PQYZCDIYOXFRCI-CYBMUJFWSA-N 1 0 293.164 2.923 40 0 CFABRO CN(C)c1cc([C@H]2CCCN(c3cc[nH+]cc3)C2)ccn1 ZINC000072380926 374249726 /nfs/dbraw/zinc/24/97/26/374249726.db2.gz VHEYDSIKZTZEMH-HNNXBMFYSA-N 1 0 282.391 2.927 40 0 CFABRO Clc1cccc(Cl)c1CNC[C@H]1CCC[NH2+]1 ZINC000072203573 374236336 /nfs/dbraw/zinc/23/63/36/374236336.db2.gz YXDMSSDKENUFAP-SECBINFHSA-N 1 0 259.180 2.835 40 0 CFABRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC1=Cc2ccccc2OC1 ZINC000072324514 374245479 /nfs/dbraw/zinc/24/54/79/374245479.db2.gz RARMCYJKNMCIKH-WMLDXEAASA-N 1 0 284.403 2.631 40 0 CFABRO CCc1cccc(C)c1NC(=O)C1CC[NH+](C)CC1 ZINC000074713330 374434019 /nfs/dbraw/zinc/43/40/19/374434019.db2.gz GBDJLYRWTLOXHF-UHFFFAOYSA-N 1 0 260.381 2.838 40 0 CFABRO C[NH2+]C1CCC(N(C)C(=O)OCc2ccccc2)CC1 ZINC000079437754 374611547 /nfs/dbraw/zinc/61/15/47/374611547.db2.gz FSUUAUQGTHSDRB-UHFFFAOYSA-N 1 0 276.380 2.786 40 0 CFABRO C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cc2)C1 ZINC000082324603 374736007 /nfs/dbraw/zinc/73/60/07/374736007.db2.gz VIPFVTVHVOHXRM-SNVBAGLBSA-N 1 0 252.745 2.620 40 0 CFABRO C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000082332598 374737036 /nfs/dbraw/zinc/73/70/36/374737036.db2.gz GXNCXRIOHPCFRG-JTQLQIEISA-N 1 0 286.297 2.986 40 0 CFABRO NC(=[NH2+])SCc1nc(-c2ccccc2Cl)no1 ZINC000087464429 374822041 /nfs/dbraw/zinc/82/20/41/374822041.db2.gz YUDMHFDWYSKVBP-UHFFFAOYSA-N 1 0 268.729 2.517 40 0 CFABRO CSc1ccc(C(=O)C(C)(C)[C@@H]2C[NH2+]CCO2)cc1 ZINC000087491445 374824073 /nfs/dbraw/zinc/82/40/73/374824073.db2.gz RWUFUAMIIVQPBW-ZDUSSCGKSA-N 1 0 279.405 2.606 40 0 CFABRO [NH3+]Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000095761185 375463608 /nfs/dbraw/zinc/46/36/08/375463608.db2.gz DYFSALRUMZSKBU-UHFFFAOYSA-N 1 0 254.049 2.927 40 0 CFABRO CC(C)C[NH+]1CCC2(CN(c3ccccc3)C2=O)CC1 ZINC000096202924 375477223 /nfs/dbraw/zinc/47/72/23/375477223.db2.gz IQPWBPGCQYWPFM-UHFFFAOYSA-N 1 0 272.392 2.771 40 0 CFABRO C[N@@H+]1CCCC[C@]12CCCN(Cc1cccnc1)C2 ZINC000096217567 375479011 /nfs/dbraw/zinc/47/90/11/375479011.db2.gz BTHYKMLGLYSEDA-MRXNPFEDSA-N 1 0 259.397 2.532 40 0 CFABRO C[NH+]1CCC2(CCCN(C(=O)c3ccccc3F)C2)CC1 ZINC000096217433 375479713 /nfs/dbraw/zinc/47/97/13/375479713.db2.gz RZRMZELNUOZZLN-UHFFFAOYSA-N 1 0 290.382 2.774 40 0 CFABRO Cc1c(C[NH2+]Cc2ccnn2C(C)C)cnn1CC(F)F ZINC000256053461 190005215 /nfs/dbraw/zinc/00/52/15/190005215.db2.gz ROBKYTJZTIBDCC-UHFFFAOYSA-N 1 0 297.353 2.524 40 0 CFABRO CCCn1cc(C[NH2+]CCc2cccc(OC)c2)c(C)n1 ZINC000256052954 190004343 /nfs/dbraw/zinc/00/43/43/190004343.db2.gz PISOIXIOEVXIOO-UHFFFAOYSA-N 1 0 287.407 2.942 40 0 CFABRO Clc1cccc(O[C@H]2COC3(C2)CC[NH2+]CC3)c1 ZINC000257197759 190010411 /nfs/dbraw/zinc/01/04/11/190010411.db2.gz IOYWYUQNSYTVKL-CYBMUJFWSA-N 1 0 267.756 2.630 40 0 CFABRO c1ccc(C[C@H]2CCC[N@@H+](CC3CCOCC3)C2)nc1 ZINC000257206547 190011666 /nfs/dbraw/zinc/01/16/66/190011666.db2.gz BDXQVQFPYBTZPR-MRXNPFEDSA-N 1 0 274.408 2.763 40 0 CFABRO CC(C)[N@@H+]1CCC[C@@H](Cc2cnc(-c3cn[nH]c3)cn2)C1 ZINC000257204893 190011763 /nfs/dbraw/zinc/01/17/63/190011763.db2.gz AWTFZRHABVVENI-ZDUSSCGKSA-N 1 0 285.395 2.530 40 0 CFABRO Cc1c[nH]c([C@@H]2CC[N@H+](CCc3ccc(F)cc3)C2)n1 ZINC000257211028 190011925 /nfs/dbraw/zinc/01/19/25/190011925.db2.gz BXFSRFJEYGNTRT-CQSZACIVSA-N 1 0 273.355 2.889 40 0 CFABRO c1cc2nccc(C3CC[NH+](Cc4ccncc4)CC3)n2n1 ZINC000257211062 190012703 /nfs/dbraw/zinc/01/27/03/190012703.db2.gz BXIZZKMJTZUWEI-UHFFFAOYSA-N 1 0 293.374 2.504 40 0 CFABRO Cc1nc(Nc2nccs2)cc([C@@H]2CCCC[NH2+]2)n1 ZINC000257218340 190014006 /nfs/dbraw/zinc/01/40/06/190014006.db2.gz DCUDEKOUNGRNDW-JTQLQIEISA-N 1 0 275.381 2.800 40 0 CFABRO Cc1ncsc1C(=O)N1CCC[C@]2(C)[NH2+]CCCC[C@H]12 ZINC000257229598 190016338 /nfs/dbraw/zinc/01/63/38/190016338.db2.gz FYSBNSZNLFSSCM-WFASDCNBSA-N 1 0 293.436 2.588 40 0 CFABRO Cc1cnc(-c2cc(C)nc([C@@H]3CCC[NH2+]3)n2)s1 ZINC000257234550 190016895 /nfs/dbraw/zinc/01/68/95/190016895.db2.gz GUCPBFAEUXEBGV-JTQLQIEISA-N 1 0 260.366 2.641 40 0 CFABRO Cc1cncc(C[N@@H+]2CCC[C@@H](c3ccnc(C)n3)C2)c1 ZINC000257255546 190020727 /nfs/dbraw/zinc/02/07/27/190020727.db2.gz KHWYBPVQABMUJJ-MRXNPFEDSA-N 1 0 282.391 2.868 40 0 CFABRO COc1cccc(Cc2cnc([C@@H]3CCC[NH2+]3)o2)c1 ZINC000257246544 190019380 /nfs/dbraw/zinc/01/93/80/190019380.db2.gz IUQDLACROLWIQV-AWEZNQCLSA-N 1 0 258.321 2.699 40 0 CFABRO Cc1noc(C)c1-c1cccc([C@@H]2CCC[NH2+]C2)n1 ZINC000257245596 190019679 /nfs/dbraw/zinc/01/96/79/190019679.db2.gz IQGOBORIPWDXEG-GFCCVEGCSA-N 1 0 257.337 2.820 40 0 CFABRO Cc1cccc(C[N@@H+]2CCC[C@H](Cc3cc[nH]n3)C2)n1 ZINC000257266240 190023188 /nfs/dbraw/zinc/02/31/88/190023188.db2.gz MCCKKJDRTAMLLM-CQSZACIVSA-N 1 0 270.380 2.568 40 0 CFABRO Cc1c[nH]c(-c2cncc(CC3CC[NH+](C(C)C)CC3)n2)n1 ZINC000257272346 190023674 /nfs/dbraw/zinc/02/36/74/190023674.db2.gz NCBIZXROBYJPFG-UHFFFAOYSA-N 1 0 299.422 2.838 40 0 CFABRO Cc1cc(-c2ncc[nH]2)nc([C@@H]2CCC[N@H+]2CC(C)C)n1 ZINC000257252849 190021032 /nfs/dbraw/zinc/02/10/32/190021032.db2.gz JWICXCAIDXMMJX-AWEZNQCLSA-N 1 0 285.395 2.968 40 0 CFABRO CCCn1nccc1-c1cc(C)nc(C2CC[NH2+]CC2)n1 ZINC000257259074 190021921 /nfs/dbraw/zinc/02/19/21/190021921.db2.gz KWSWPCDIAOFIBZ-UHFFFAOYSA-N 1 0 285.395 2.526 40 0 CFABRO CC(C)[NH+]1CCC(c2cnc(-c3ncco3)cn2)CC1 ZINC000257263558 190022316 /nfs/dbraw/zinc/02/23/16/190022316.db2.gz LQNGQTVEGBASEH-UHFFFAOYSA-N 1 0 272.352 2.719 40 0 CFABRO O=C1[C@H](C2CC[NH2+]CC2)CC=CCN1Cc1ccccc1 ZINC000257261732 190022397 /nfs/dbraw/zinc/02/23/97/190022397.db2.gz LIOMDFISUDOKQW-KRWDZBQOSA-N 1 0 284.403 2.591 40 0 CFABRO CNc1cncc([C@H]2CCC[N@@H+]2Cc2cccs2)n1 ZINC000257280712 190025200 /nfs/dbraw/zinc/02/52/00/190025200.db2.gz OMAPXGYJMNMKIG-CYBMUJFWSA-N 1 0 274.393 2.917 40 0 CFABRO c1cc([C@H]2CC[N@@H+](Cc3cccc4cccnc43)C2)n[nH]1 ZINC000257280825 190025744 /nfs/dbraw/zinc/02/57/44/190025744.db2.gz OMOPHVPXOKKXNW-AWEZNQCLSA-N 1 0 278.359 2.947 40 0 CFABRO Cc1c[nH]nc1C[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000257273253 190025121 /nfs/dbraw/zinc/02/51/21/190025121.db2.gz NFVZCAGPHNMYTE-CQSZACIVSA-N 1 0 270.380 2.568 40 0 CFABRO CC(C)[NH+]1CCC(Cc2cc(-c3cc[nH]n3)ncn2)CC1 ZINC000257294054 190028261 /nfs/dbraw/zinc/02/82/61/190028261.db2.gz QSGGYUHVFWVNOC-UHFFFAOYSA-N 1 0 285.395 2.530 40 0 CFABRO Cc1c(C[N@@H+]2CCC[C@@H]2CCc2ccncc2)cnn1C ZINC000257293381 190028583 /nfs/dbraw/zinc/02/85/83/190028583.db2.gz QPFNWDFJGDXFSN-QGZVFWFLSA-N 1 0 284.407 2.721 40 0 CFABRO CC(C)[NH+]1CCC(Cc2cnc(-c3ccnn3C)cn2)CC1 ZINC000257302365 190030087 /nfs/dbraw/zinc/03/00/87/190030087.db2.gz SCPYNRQMSUHTPT-UHFFFAOYSA-N 1 0 299.422 2.540 40 0 CFABRO COc1ccccc1[C@@H]1C[NH2+]CCN1Cc1cccc(C)n1 ZINC000257317790 190032508 /nfs/dbraw/zinc/03/25/08/190032508.db2.gz VLDOAPHCNDVCFO-KRWDZBQOSA-N 1 0 297.402 2.545 40 0 CFABRO c1csc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](c3cc[nH]n3)C2)c1 ZINC000257316439 190032670 /nfs/dbraw/zinc/03/26/70/190032670.db2.gz VFOVFKXSQXGEBS-LLVKDONJSA-N 1 0 299.403 2.851 40 0 CFABRO Cc1ncsc1C(=O)N1CCC[C@@H]2[N@H+](C)CCC[C@@]21C ZINC000257319131 190033782 /nfs/dbraw/zinc/03/37/82/190033782.db2.gz VQXQMIXJFIZCLL-WFASDCNBSA-N 1 0 293.436 2.540 40 0 CFABRO Cc1nc(-c2ccc(C[C@H]3CC[NH2+]C3)cn2)sc1C ZINC000257332053 190035346 /nfs/dbraw/zinc/03/53/46/190035346.db2.gz XVNLYYFBASLQMQ-CYBMUJFWSA-N 1 0 273.405 2.974 40 0 CFABRO Cc1nc(-c2ccc(C[C@@H]3CC[NH2+]C3)cn2)sc1C ZINC000257332054 190035905 /nfs/dbraw/zinc/03/59/05/190035905.db2.gz XVNLYYFBASLQMQ-ZDUSSCGKSA-N 1 0 273.405 2.974 40 0 CFABRO c1cc([C@H]2CC[N@@H+](Cc3ccc4ncccc4c3)C2)n[nH]1 ZINC000257334347 190036036 /nfs/dbraw/zinc/03/60/36/190036036.db2.gz YFMUUSTVXKXRRA-HNNXBMFYSA-N 1 0 278.359 2.947 40 0 CFABRO Cc1c[nH]nc1[C@H]1CCC[N@H+](Cc2ncccc2C)C1 ZINC000257337096 190036353 /nfs/dbraw/zinc/03/63/53/190036353.db2.gz YRIJVOHJPJGJMB-AWEZNQCLSA-N 1 0 270.380 2.801 40 0 CFABRO Cc1cc(-c2cnc(C[C@@H]3CCC[N@@H+](C(C)C)C3)cn2)n[nH]1 ZINC000257339561 190037219 /nfs/dbraw/zinc/03/72/19/190037219.db2.gz ZCGZQWDJFNJSET-AWEZNQCLSA-N 1 0 299.422 2.838 40 0 CFABRO Cc1c[nH]c([C@@H]2CCC[N@H+](CCOc3ccccc3)C2)n1 ZINC000257341941 190037428 /nfs/dbraw/zinc/03/74/28/190037428.db2.gz ZMMUWYXZQIIBEV-OAHLLOKOSA-N 1 0 285.391 2.977 40 0 CFABRO C[C@]1(CNC(=O)OCc2ccccc2)CCCC[NH2+]C1 ZINC000261508692 190040092 /nfs/dbraw/zinc/04/00/92/190040092.db2.gz VXSWNQTWICUDLF-INIZCTEOSA-N 1 0 276.380 2.693 40 0 CFABRO Cn1cc(C[NH2+]Cc2ccc(F)cc2)c(C(F)(F)F)n1 ZINC000130776423 377608521 /nfs/dbraw/zinc/60/85/21/377608521.db2.gz LRODZXNAFAVVFW-UHFFFAOYSA-N 1 0 287.260 2.868 40 0 CFABRO CC[C@@H](NC(=O)C1CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000174502377 379899155 /nfs/dbraw/zinc/89/91/55/379899155.db2.gz AYBSJEYBODMEHN-MRXNPFEDSA-N 1 0 290.407 2.604 40 0 CFABRO O=C1Nc2ccccc2C12CC[NH+](Cc1ccco1)CC2 ZINC000096052471 284932538 /nfs/dbraw/zinc/93/25/38/284932538.db2.gz XUXAMSUISBGZLR-UHFFFAOYSA-N 1 0 282.343 2.766 40 0 CFABRO c1cc2n(n1)[C@@H](CCOCC1CC1)C[N@H+](CC1CCC1)C2 ZINC000306126163 382453237 /nfs/dbraw/zinc/45/32/37/382453237.db2.gz DOPKVTGNFQLZFU-KRWDZBQOSA-N 1 0 289.423 2.857 40 0 CFABRO CCn1cc(Cc2cccc(Br)c2)[nH+]c1N ZINC000199550126 382771962 /nfs/dbraw/zinc/77/19/62/382771962.db2.gz BNBLZMBFPJFMOE-UHFFFAOYSA-N 1 0 280.169 2.839 40 0 CFABRO CCOC(=O)[C@@H](C[NH3+])[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000216350901 382783155 /nfs/dbraw/zinc/78/31/55/382783155.db2.gz MHWVLKHJFWLYSC-JUFZMCDQSA-N 1 0 253.386 2.587 40 0 CFABRO Clc1ccc(-c2ccc3nnc([C@H]4CCC[NH2+]4)n3n2)cc1 ZINC000217553890 382786862 /nfs/dbraw/zinc/78/68/62/382786862.db2.gz CRQCPZYAEXYWCN-CYBMUJFWSA-N 1 0 299.765 2.869 40 0 CFABRO COCC[NH2+]Cc1cccn1[C@H](C)c1ccccc1 ZINC000223691531 382806632 /nfs/dbraw/zinc/80/66/32/382806632.db2.gz JOXYBHKOQWEQGD-CQSZACIVSA-N 1 0 258.365 2.833 40 0 CFABRO C[NH+](C)CCNC(=O)CCc1ccc(Cl)c(Cl)c1 ZINC000225329947 382814224 /nfs/dbraw/zinc/81/42/24/382814224.db2.gz FSVJOOKFKJQOLV-UHFFFAOYSA-N 1 0 289.206 2.604 40 0 CFABRO CCCc1ccc(C[NH2+]C[C@H]2CCCO2)n1CC ZINC000226020923 382824416 /nfs/dbraw/zinc/82/44/16/382824416.db2.gz IHEJXLJYCMOIEZ-OAHLLOKOSA-N 1 0 250.386 2.729 40 0 CFABRO C[N@H+](Cc1ccncc1)[C@H]1CCCN(c2ccccn2)C1 ZINC000257205136 383493607 /nfs/dbraw/zinc/49/36/07/383493607.db2.gz AXVGNLNPBNLUKQ-INIZCTEOSA-N 1 0 282.391 2.577 40 0 CFABRO Fc1cccc(F)c1N1CC[NH2+][C@H]2CCCC[C@@H]21 ZINC000225713965 256700255 /nfs/dbraw/zinc/70/02/55/256700255.db2.gz FHICKLROPSPFMF-STQMWFEESA-N 1 0 252.308 2.686 40 0 CFABRO CC1(C)[C@@H]2CC[C@@]1(C)c1nc(NC(N)=[NH2+])sc12 ZINC000020551702 256809833 /nfs/dbraw/zinc/80/98/33/256809833.db2.gz BAAJTJALKQDPJB-INWYIAFRSA-N 1 0 250.371 2.623 40 0 CFABRO O[C@H](C[NH+]1CCCCC1)c1ccc(Br)cc1 ZINC000017299327 285349821 /nfs/dbraw/zinc/34/98/21/285349821.db2.gz FHJSNJBZHDUZSG-CYBMUJFWSA-N 1 0 284.197 2.968 40 0 CFABRO COc1c(Br)ccc(Cl)c1C[NH3+] ZINC000169800928 413049933 /nfs/dbraw/zinc/04/99/33/413049933.db2.gz OVERXJLXYMAGAE-UHFFFAOYSA-N 1 0 250.523 2.570 40 0 CFABRO Cc1ccc(-c2ccc3nnc([C@H]4CCC[NH2+]4)n3n2)cc1 ZINC000217555698 130762168 /nfs/dbraw/zinc/76/21/68/130762168.db2.gz LICQPXMVCKXMLA-CQSZACIVSA-N 1 0 279.347 2.524 40 0 CFABRO C[NH+](C)CCC(=O)c1ccc2c(c1)OCCCCCO2 ZINC000005319040 393460576 /nfs/dbraw/zinc/46/05/76/393460576.db2.gz KHSLMZYTAIUIOA-UHFFFAOYSA-N 1 0 277.364 2.763 40 0 CFABRO CC1=N[C@@H]2CCCC[C@H]2NC(=[NH2+])C1c1ccccc1 ZINC000013637123 393477994 /nfs/dbraw/zinc/47/79/94/393477994.db2.gz NUSFVXNMUSUPTH-ZIAGYGMSSA-N 1 0 255.365 2.689 40 0 CFABRO CCC[N@@H+]1CCC[C@@H]1c1cnc(N2CCOCC2)c(C)c1 ZINC000072219341 393646184 /nfs/dbraw/zinc/64/61/84/393646184.db2.gz RIWXJRQWIWYZHF-MRXNPFEDSA-N 1 0 289.423 2.774 40 0 CFABRO CCC[N@@H+]1CCC[C@@H]1c1ccc(N2CCOCC2)nc1C ZINC000072219626 393646253 /nfs/dbraw/zinc/64/62/53/393646253.db2.gz FCYYZFVZEDTKBT-MRXNPFEDSA-N 1 0 289.423 2.774 40 0 CFABRO Cc1nc(N2CCOCC2)ccc1[C@@H]1CCC[N@H+]1C(C)C ZINC000072219624 393646306 /nfs/dbraw/zinc/64/63/06/393646306.db2.gz VCAHMKNAEDZVLX-INIZCTEOSA-N 1 0 289.423 2.772 40 0 CFABRO Cc1cc(SC(C)(C)C)cnc1N1CC[NH2+]CC1 ZINC000072222547 393646410 /nfs/dbraw/zinc/64/64/10/393646410.db2.gz RAFZQFPFJYDADE-UHFFFAOYSA-N 1 0 265.426 2.690 40 0 CFABRO CC(C)[N@@H+]1CCC[C@@H]1c1cccc(N2CCC(O)CC2)n1 ZINC000072364932 393650414 /nfs/dbraw/zinc/65/04/14/393650414.db2.gz LNTKWZHKNCZIKS-MRXNPFEDSA-N 1 0 289.423 2.588 40 0 CFABRO C[C@@H]1CCCC[C@H]1[NH2+]c1ccc(N)cc1-n1cnnc1 ZINC000216751247 393755733 /nfs/dbraw/zinc/75/57/33/393755733.db2.gz MYLNIXLCMGGLPU-DGCLKSJQSA-N 1 0 271.368 2.840 40 0 CFABRO O=C1Nc2ccc(Br)cc2C2(CC[NH2+]CC2)O1 ZINC000079033105 393714043 /nfs/dbraw/zinc/71/40/43/393714043.db2.gz LGBKBIZUZZZSIB-UHFFFAOYSA-N 1 0 297.152 2.590 40 0 CFABRO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095097522 393811681 /nfs/dbraw/zinc/81/16/81/393811681.db2.gz SIVVZWMWICPALD-QWHCGFSZSA-N 1 0 268.401 2.728 40 0 CFABRO CC[C@@H]([C@H]([NH3+])c1cccc(Cl)c1)S(=O)(=O)CC ZINC000096524931 393838348 /nfs/dbraw/zinc/83/83/48/393838348.db2.gz NBWHWZSVHBJGPG-NWDGAFQWSA-N 1 0 275.801 2.553 40 0 CFABRO CC[N@@H+]1CCC[C@]2(CN(CC3CCCCC3)C2=O)C1 ZINC000585099296 395100326 /nfs/dbraw/zinc/10/03/26/395100326.db2.gz CBBBMIKESFWHBY-MRXNPFEDSA-N 1 0 264.413 2.511 40 0 CFABRO CCCC[N@@H+]1CCC[C@]2(CCC(=O)N2CC)CC1 ZINC000585100766 395100421 /nfs/dbraw/zinc/10/04/21/395100421.db2.gz VTVBEVZEUAMBAG-HNNXBMFYSA-N 1 0 252.402 2.654 40 0 CFABRO COc1ccc(Cl)cc1-c1noc([C@@H]2CCC[NH2+]C2)n1 ZINC000072209114 397590639 /nfs/dbraw/zinc/59/06/39/397590639.db2.gz ASHLKGQVEUNYDZ-SECBINFHSA-N 1 0 293.754 2.866 40 0 CFABRO C[n+]1ccccc1/C=C\c1ccnc2c(O)cccc12 ZINC000004830539 170025755 /nfs/dbraw/zinc/02/57/55/170025755.db2.gz ISYMCPFEMRKBDH-UHFFFAOYSA-O 1 0 263.320 2.935 40 0 CFABRO C[C@@]1(O)C[N@H+](Cc2ccccc2)[C@H](c2ccccc2)C[C@@H]1O ZINC000005534821 170110167 /nfs/dbraw/zinc/11/01/67/170110167.db2.gz VAKBKORICCUVPK-GBESFXJTSA-N 1 0 297.398 2.746 40 0 CFABRO C[NH2+][C@@H](COC(=O)c1ccc(N)cc1)C1CCCCC1 ZINC000005852470 170147317 /nfs/dbraw/zinc/14/73/17/170147317.db2.gz WRTHLLRKQBREKI-HNNXBMFYSA-N 1 0 276.380 2.594 40 0 CFABRO C[C@H](O)C[NH2+]Cc1ccc(OCc2cccs2)cc1 ZINC000005911927 170154469 /nfs/dbraw/zinc/15/44/69/170154469.db2.gz IUTFFYDPUPIMQP-LBPRGKRZSA-N 1 0 277.389 2.798 40 0 CFABRO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@H](O)COc1ccccc1F ZINC000006468232 170203549 /nfs/dbraw/zinc/20/35/49/170203549.db2.gz SYZNNDXAQKBPAB-MJBXVCDLSA-N 1 0 281.371 2.828 40 0 CFABRO CC[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNC(=O)c1ccccc1 ZINC000008300443 170329889 /nfs/dbraw/zinc/32/98/89/170329889.db2.gz MYGQTPNBZLTNHQ-CWRNSKLLSA-N 1 0 272.392 2.537 40 0 biogenic,in-vitro CFABRO Cc1[nH]c2ccc(N(C)C)cc2c(=O)c1C[NH+]1CCCC1 ZINC000008717515 170349202 /nfs/dbraw/zinc/34/92/02/170349202.db2.gz YDQAAQCFSSJXJR-UHFFFAOYSA-N 1 0 285.391 2.911 40 0 CFABRO CC1CC[NH+](CCCOc2ccc(C=O)cc2)CC1 ZINC000008731565 170351131 /nfs/dbraw/zinc/35/11/31/170351131.db2.gz KURXTBKSSXGTKS-UHFFFAOYSA-N 1 0 261.365 3.000 40 0 CFABRO CCOc1cc(C=O)ccc1OCCC[NH+]1CCCC1 ZINC000008731480 170351150 /nfs/dbraw/zinc/35/11/50/170351150.db2.gz TXPPUYHGYLDCDI-UHFFFAOYSA-N 1 0 277.364 2.763 40 0 CFABRO COc1cc(C=O)ccc1OCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000009261307 170369318 /nfs/dbraw/zinc/36/93/18/170369318.db2.gz UHWHRUXWSVWVIU-OKILXGFUSA-N 1 0 291.391 2.864 40 0 CFABRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc(Cl)cc2)C1 ZINC000009876620 170388262 /nfs/dbraw/zinc/38/82/62/170388262.db2.gz XQFLWSBQSUWLRW-NSHDSACASA-N 1 0 281.787 2.803 40 0 CFABRO Cc1ccc(NC(=O)C2CC[NH2+]CC2)c(Br)c1 ZINC000019413117 170790155 /nfs/dbraw/zinc/79/01/55/170790155.db2.gz XDTYKEHSNJSMEV-UHFFFAOYSA-N 1 0 297.196 2.696 40 0 CFABRO [NH3+]C1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000020266677 171123275 /nfs/dbraw/zinc/12/32/75/171123275.db2.gz RARGLPXKJCWHAE-UHFFFAOYSA-N 1 0 259.180 2.917 40 0 CFABRO O=C(OCc1ccccc1)N1CC[NH2+][C@@H]2CCCC[C@@H]21 ZINC000022015678 171349480 /nfs/dbraw/zinc/34/94/80/171349480.db2.gz GZTLXXIGRCPQDZ-CABCVRRESA-N 1 0 274.364 2.540 40 0 CFABRO CCOc1cccc(-c2noc([C@@H]3CCC[NH2+]C3)n2)c1 ZINC000035676646 172347242 /nfs/dbraw/zinc/34/72/42/172347242.db2.gz VCDLPGTYKMHPBE-GFCCVEGCSA-N 1 0 273.336 2.602 40 0 CFABRO CC(C)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000046375661 175396317 /nfs/dbraw/zinc/39/63/17/175396317.db2.gz SHFKDVMBDWBQEM-UHFFFAOYSA-N 1 0 260.381 2.555 40 0 CFABRO CCOc1ccc2ccccc2c1CN1CC[NH2+]CC1 ZINC000071445743 176175052 /nfs/dbraw/zinc/17/50/52/176175052.db2.gz DQKMJFHBNKKWMV-UHFFFAOYSA-N 1 0 270.376 2.644 40 0 CFABRO Clc1ccc(CN[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000072203583 176341732 /nfs/dbraw/zinc/34/17/32/176341732.db2.gz VDYPMCPNIXZKAE-LLVKDONJSA-N 1 0 259.180 2.835 40 0 CFABRO Cc1ccc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)s1 ZINC000072324476 176369774 /nfs/dbraw/zinc/36/97/74/176369774.db2.gz PBPRGBZWHZTRBD-AAEUAGOBSA-N 1 0 250.411 2.725 40 0 CFABRO Cc1ccc(CN2C[C@H]3CCC[N@H+]3C[C@H]2C)s1 ZINC000072324648 176369815 /nfs/dbraw/zinc/36/98/15/176369815.db2.gz PBPRGBZWHZTRBD-DGCLKSJQSA-N 1 0 250.411 2.725 40 0 CFABRO Cc1nc(Nc2ccccn2)cc([C@@H]2CCC[N@H+]2C)n1 ZINC000072360105 176377122 /nfs/dbraw/zinc/37/71/22/176377122.db2.gz XRMPCNVFBQAGMI-ZDUSSCGKSA-N 1 0 269.352 2.690 40 0 CFABRO c1ccc([C@H]2CCC[N@@H+](Cc3ccncc3)C2)nc1 ZINC000072363800 176378062 /nfs/dbraw/zinc/37/80/62/176378062.db2.gz LGLLGQNIMCLDNV-HNNXBMFYSA-N 1 0 253.349 2.856 40 0 CFABRO CC[N@@H+]1CCC[C@H](c2cc(Nc3ncccn3)nc(C)n2)C1 ZINC000072363444 176378416 /nfs/dbraw/zinc/37/84/16/176378416.db2.gz GSTXBHWKDDDLLY-ZDUSSCGKSA-N 1 0 298.394 2.518 40 0 CFABRO Cc1cc(NCc2ncccc2C)nc(C2CC[NH2+]CC2)n1 ZINC000072365485 176380532 /nfs/dbraw/zinc/38/05/32/176380532.db2.gz RMZZDABJDOWCRR-UHFFFAOYSA-N 1 0 297.406 2.568 40 0 CFABRO C[NH+]1CCC(c2cccc(NC[C@@]3(C)CCCO3)n2)CC1 ZINC000072365474 176380557 /nfs/dbraw/zinc/38/05/57/176380557.db2.gz CVXYYIRTIFQNNX-QGZVFWFLSA-N 1 0 289.423 2.872 40 0 CFABRO C[N@@H+]1CCC[C@@H]1c1cccc(Nc2cccc(C(N)=O)c2)n1 ZINC000072365281 176380792 /nfs/dbraw/zinc/38/07/92/176380792.db2.gz DHYGYCCMGMQLCM-OAHLLOKOSA-N 1 0 296.374 2.691 40 0 CFABRO C[N@@H+]1CCCC[C@@H]1c1cncc(NCCc2ccccn2)n1 ZINC000072366325 176380895 /nfs/dbraw/zinc/38/08/95/176380895.db2.gz NOVPYBWMLXGTGH-MRXNPFEDSA-N 1 0 297.406 2.683 40 0 CFABRO Fc1cccc(CNc2cccc(C[C@H]3CC[NH2+]C3)n2)c1 ZINC000072366290 176381397 /nfs/dbraw/zinc/38/13/97/176381397.db2.gz CMQPAMGDGHBHED-CQSZACIVSA-N 1 0 285.366 2.985 40 0 CFABRO COc1cccc(-c2nccc([C@@H]3CCC[N@@H+]3C)n2)c1 ZINC000072376467 176385304 /nfs/dbraw/zinc/38/53/04/176385304.db2.gz WWHHPRIYMVUYBR-HNNXBMFYSA-N 1 0 269.348 2.919 40 0 CFABRO Cc1cccc(Nc2ccc([C@@H]3CCC[NH2+]3)nc2)n1 ZINC000072376692 176385326 /nfs/dbraw/zinc/38/53/26/176385326.db2.gz QZOYTGVJWRMTQT-ZDUSSCGKSA-N 1 0 254.337 2.953 40 0 CFABRO c1cn(-c2cncc([C@H]3CCC[N@H+]3C3CCCC3)n2)cn1 ZINC000072378704 176386027 /nfs/dbraw/zinc/38/60/27/176386027.db2.gz CVTVPAFAFNGKST-OAHLLOKOSA-N 1 0 283.379 2.742 40 0 CFABRO Cc1nc(Cc2ccccc2)cc([C@H]2CCC[NH2+]2)n1 ZINC000072384566 176388712 /nfs/dbraw/zinc/38/87/12/176388712.db2.gz IATXHAYFDIVVLQ-OAHLLOKOSA-N 1 0 253.349 2.800 40 0 CFABRO COc1cccc(C[N@@H+]2CCCC[C@H]2c2ccnc(N)n2)c1 ZINC000072385065 176389521 /nfs/dbraw/zinc/38/95/21/176389521.db2.gz NAMSJHWWXRBLER-INIZCTEOSA-N 1 0 298.390 2.795 40 0 CFABRO Cc1cccc(C[NH+]2CCC(c3cncc(C)n3)CC2)n1 ZINC000072385798 176390330 /nfs/dbraw/zinc/39/03/30/176390330.db2.gz HMHXKGBLIICTFF-UHFFFAOYSA-N 1 0 282.391 2.868 40 0 CFABRO COc1ccccc1-c1cnc([C@H]2CCC[NH2+]C2)cn1 ZINC000072386781 176392172 /nfs/dbraw/zinc/39/21/72/176392172.db2.gz UUMAFFIZSZTOJU-LBPRGKRZSA-N 1 0 269.348 2.619 40 0 CFABRO Cc1cc(C[N@@H+]2CCC[C@@H](CO)C2)c(C)n1-c1cccnc1 ZINC000072397803 176395640 /nfs/dbraw/zinc/39/56/40/176395640.db2.gz SQFMGNJCUBYVOI-MRXNPFEDSA-N 1 0 299.418 2.693 40 0 CFABRO CC(C)N(Cc1ccc(Cl)cc1Cl)C(=O)C[NH3+] ZINC000076722433 177069911 /nfs/dbraw/zinc/06/99/11/177069911.db2.gz NZDLCKVWLQPMAZ-UHFFFAOYSA-N 1 0 275.179 2.689 40 0 CFABRO Cc1ccc(SCCC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000078422504 177340330 /nfs/dbraw/zinc/34/03/30/177340330.db2.gz HZZORQSJNQQZPE-UHFFFAOYSA-N 1 0 292.448 2.688 40 0 CFABRO [NH3+][C@@H]1CCCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000040435005 274956459 /nfs/dbraw/zinc/95/64/59/274956459.db2.gz DRIYQDMTLIGDRK-MRVPVSSYSA-N 1 0 279.693 2.681 40 0 CFABRO c1coc(C[NH+]2CCC3(CCN(c4ncccn4)C3)CC2)c1 ZINC000096046590 275074550 /nfs/dbraw/zinc/07/45/50/275074550.db2.gz HVEBPBSXFDUQCW-UHFFFAOYSA-N 1 0 298.390 2.562 40 0 CFABRO CC(C)(C)OC(=O)NC[C@@H]1C[NH2+][C@H]2CCCC[C@@H]2C1 ZINC000215711898 277199857 /nfs/dbraw/zinc/19/98/57/277199857.db2.gz NEEFKHAZNNIJIV-XQQFMLRXSA-N 1 0 268.401 2.679 40 0 CFABRO CNc1nc(N2Cc3ccccc3C(C)(C)C2)cc(C)[nH+]1 ZINC000329068560 277221162 /nfs/dbraw/zinc/22/11/62/277221162.db2.gz YQHVMPLOGBBBDN-UHFFFAOYSA-N 1 0 282.391 2.546 40 0 CFABRO CC(C)C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000043323699 277422937 /nfs/dbraw/zinc/42/29/37/277422937.db2.gz IYSSNDNZJKNZSX-LBPRGKRZSA-N 1 0 256.390 2.632 40 0 CFABRO Cc1cc(N(C)C)cc([C@H]2CCCN2c2ncccn2)[nH+]1 ZINC000072356652 280537137 /nfs/dbraw/zinc/53/71/37/280537137.db2.gz NDMKOFGPTQTQSP-OAHLLOKOSA-N 1 0 283.379 2.588 40 0 CFABRO CCC(C)(C)OC[C@@H](O)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000035074988 282032334 /nfs/dbraw/zinc/03/23/34/282032334.db2.gz VYRKPHWIIBNPNU-IHRRRGAJSA-N 1 0 257.418 2.530 40 0 CFABRO Fc1ccc(-c2nccnc2[C@@H]2CCC[NH2+]C2)cc1 ZINC000072356374 294738899 /nfs/dbraw/zinc/73/88/99/294738899.db2.gz OWZCTCKFSSGCBN-GFCCVEGCSA-N 1 0 257.312 2.750 40 0 CFABRO [NH3+]CCN(Cc1cc(Cl)ccc1Cl)C1CC1 ZINC000079420172 295232862 /nfs/dbraw/zinc/23/28/62/295232862.db2.gz LMRSNNPYMKGJFT-UHFFFAOYSA-N 1 0 259.180 2.917 40 0 CFABRO Cc1ccc([C@]23CCC(=O)N2[C@@H]2CCCC[C@@H]2[NH2+]3)cc1 ZINC000009937055 301847501 /nfs/dbraw/zinc/84/75/01/301847501.db2.gz SFCHCDFQYXPQPH-UXLLHSPISA-N 1 0 270.376 2.685 40 0 CFABRO Cc1ccc2c(c1)OC(C)(C)[C@H]1CC3(C[NH2+]C3)CO[C@H]21 ZINC000257242153 301891083 /nfs/dbraw/zinc/89/10/83/301891083.db2.gz IBICFDOLGRBNRY-DZGCQCFKSA-N 1 0 273.376 2.833 40 0 CFABRO Cn1cccc1C[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000092788967 327195256 /nfs/dbraw/zinc/19/52/56/327195256.db2.gz KXIUVAFPFMPGDI-LBPRGKRZSA-N 1 0 261.394 2.861 40 0 CFABRO c1ccc(C[NH+]2C[C@@H]3CN(c4ccccn4)C[C@H]3C2)cc1 ZINC000307010282 333011550 /nfs/dbraw/zinc/01/15/50/333011550.db2.gz NSIHZNIMTGCVJZ-IAGOWNOFSA-N 1 0 279.387 2.650 40 0 CFABRO CCCNc1ncc(C[NH2+]Cc2ccc(OC)cc2)cn1 ZINC000062717708 333175993 /nfs/dbraw/zinc/17/59/93/333175993.db2.gz RWNWQNMXCGOSJS-UHFFFAOYSA-N 1 0 286.379 2.597 40 0 CFABRO C[NH+](C)CC[C@@H]1CCCCN1C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000248144887 334295940 /nfs/dbraw/zinc/29/59/40/334295940.db2.gz VLZDCPMPGCQBQW-CAOSSQGBSA-N 1 0 278.440 2.755 40 0 CFABRO Clc1ccc(-c2n[nH]c(C3CC[NH2+]CC3)n2)cc1 ZINC000064875529 526933646 /nfs/dbraw/zinc/93/36/46/526933646.db2.gz JGNBKTMXZTXRGB-UHFFFAOYSA-N 1 0 262.744 2.592 40 0 CFABRO CCN1CCC2(CC[NH+](Cc3ccsc3)CC2)C1=O ZINC000096046736 185071276 /nfs/dbraw/zinc/07/12/76/185071276.db2.gz UNAABAWWTAOYAB-UHFFFAOYSA-N 1 0 278.421 2.583 40 0 CFABRO c1cc(C[N@H+]2CCC3(CN(Cc4ccccn4)C3)C2)cs1 ZINC000096046488 185071819 /nfs/dbraw/zinc/07/18/19/185071819.db2.gz BODRSNFWIQDNMO-UHFFFAOYSA-N 1 0 299.443 2.851 40 0 CFABRO c1ccc(CN2CCC[C@]3(CC[N@@H+](CC4CC4)C3)C2)nc1 ZINC000096046965 185072432 /nfs/dbraw/zinc/07/24/32/185072432.db2.gz NXGNKVGMDDHSCF-SFHVURJKSA-N 1 0 285.435 2.780 40 0 CFABRO CCN1C(=O)CC[C@]12CCC[N@H+](Cc1ccco1)CC2 ZINC000096047489 185072474 /nfs/dbraw/zinc/07/24/74/185072474.db2.gz VGCGCMXCVMEBBU-INIZCTEOSA-N 1 0 276.380 2.647 40 0 CFABRO O=C1N(CC2CC2)CCC12CC[NH+](Cc1ccoc1)CC2 ZINC000096046872 185072932 /nfs/dbraw/zinc/07/29/32/185072932.db2.gz HVPZQXICJUQZRJ-UHFFFAOYSA-N 1 0 288.391 2.504 40 0 CFABRO O=C1C[C@]2(CC[N@H+](CC3CC3)C2)CN1c1cccc(F)c1 ZINC000096050751 185074136 /nfs/dbraw/zinc/07/41/36/185074136.db2.gz LONABQRVHGUBDU-KRWDZBQOSA-N 1 0 288.366 2.665 40 0 CFABRO Cc1cccc(CN2CC[C@]3(CC[N@H+](CC4CC4)C3)C2=O)c1 ZINC000096050597 185074668 /nfs/dbraw/zinc/07/46/68/185074668.db2.gz APNMDVSXTJHSTC-IBGZPJMESA-N 1 0 298.430 2.829 40 0 CFABRO Cc1ccc(N2C[C@@]3(CC[N@H+](CC4CC4)C3)CC2=O)s1 ZINC000096050884 185074812 /nfs/dbraw/zinc/07/48/12/185074812.db2.gz LQVHDNGBTBMCLE-INIZCTEOSA-N 1 0 290.432 2.895 40 0 CFABRO Fc1cccc(CN2C[C@H]3C[NH+](CC4CC4)C[C@@H]3C2)c1 ZINC000096053901 185075734 /nfs/dbraw/zinc/07/57/34/185075734.db2.gz OHHSYLQWTGNDPL-HZPDHXFCSA-N 1 0 274.383 2.599 40 0 CFABRO Cc1ccc(C[NH+]2C[C@@H]3CN(Cc4ccccn4)C[C@H]3C2)o1 ZINC000096053793 185075792 /nfs/dbraw/zinc/07/57/92/185075792.db2.gz FODQKOBDPUAGEG-HOTGVXAUSA-N 1 0 297.402 2.547 40 0 CFABRO CCn1cc2c(n1)[C@H](COCC1CC1)C[N@@H+](CC1CC1)C2 ZINC000096059950 185081311 /nfs/dbraw/zinc/08/13/11/185081311.db2.gz ZMUSRLVFLBAWNH-INIZCTEOSA-N 1 0 289.423 2.639 40 0 CFABRO CC[C@H]1[N@H+](Cc2ccc(C)o2)CCC[C@]12CCC(=O)N2 ZINC000096070412 185085431 /nfs/dbraw/zinc/08/54/31/185085431.db2.gz ZSLHLGOIRXXZPC-ZBFHGGJFSA-N 1 0 276.380 2.611 40 0 CFABRO CC(=O)N1CCCC[C@]12CCC[N@H+](Cc1ccc(C)o1)C2 ZINC000096071904 185087362 /nfs/dbraw/zinc/08/73/62/185087362.db2.gz LRMBTYFMJFDBFG-QGZVFWFLSA-N 1 0 290.407 2.955 40 0 CFABRO COC[C@@H]1CC2(CO1)CC[NH+](Cc1ccsc1)CC2 ZINC000096105748 185098856 /nfs/dbraw/zinc/09/88/56/185098856.db2.gz HYDKOUXQTOWMRZ-AWEZNQCLSA-N 1 0 281.421 2.766 40 0 CFABRO CC[C@H](CO)[NH2+]Cc1ccc(-c2ccc([C@@H](C)O)cc2)o1 ZINC000007540879 529392356 /nfs/dbraw/zinc/39/23/56/529392356.db2.gz VFCQVIIDFHIXJM-IUODEOHRSA-N 1 0 289.375 2.860 40 0 CFABRO C[NH2+]CCCNCc1ccc(-c2ccc([C@@H](C)O)cc2)o1 ZINC000007541197 529970861 /nfs/dbraw/zinc/97/08/61/529970861.db2.gz LFKDUPHOIMUQIY-CYBMUJFWSA-N 1 0 288.391 2.699 40 0 CFABRO FC(F)(F)CN1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000409430332 539500183 /nfs/dbraw/zinc/50/01/83/539500183.db2.gz VGFCJFPIOVZZBP-KBPBESRZSA-N 1 0 284.325 2.613 40 0 CFABRO C[NH+](C)CCOCC(O)(c1ccccc1)c1ccccc1 ZINC000001872331 346206577 /nfs/dbraw/zinc/20/65/77/346206577.db2.gz QVXMEKXRWGDWFT-UHFFFAOYSA-N 1 0 285.387 2.501 40 0 CFABRO [NH3+]CC[C@@H](CO)C1c2ccccc2-c2ccccc21 ZINC000085388796 179047191 /nfs/dbraw/zinc/04/71/91/179047191.db2.gz CDFOUDDJUUWCDV-LBPRGKRZSA-N 1 0 253.345 2.756 40 0 CFABRO CCn1c(C)c(-c2noc(CC[NH3+])n2)c2ccccc21 ZINC000085397307 179049653 /nfs/dbraw/zinc/04/96/53/179049653.db2.gz IKIIBIDPPZZKQS-UHFFFAOYSA-N 1 0 270.336 2.521 40 0 CFABRO Cc1c(Br)c(-c2ccccc2)nn1CC[NH3+] ZINC000084197717 347459341 /nfs/dbraw/zinc/45/93/41/347459341.db2.gz YUHOBAHMTWABIG-UHFFFAOYSA-N 1 0 280.169 2.580 40 0 CFABRO COC[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccsc2)O1 ZINC000096110735 347701351 /nfs/dbraw/zinc/70/13/51/347701351.db2.gz OFLQFFJBUBYVTJ-MGPQQGTHSA-N 1 0 267.394 2.516 40 0 CFABRO Brc1ccc([C@H]2C[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000114570960 347774369 /nfs/dbraw/zinc/77/43/69/347774369.db2.gz IPELTGMLRHJEAJ-TZMCWYRMSA-N 1 0 296.208 2.885 40 0 CFABRO OCCC1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000107958349 347737871 /nfs/dbraw/zinc/73/78/71/347737871.db2.gz JRIJUHXJHLPKIU-UHFFFAOYSA-N 1 0 253.773 2.934 40 0 CFABRO CC[C@@H](OC[C@@H](O)C[NH2+][C@@H](C)CC)c1ccccc1 ZINC000245253813 348251545 /nfs/dbraw/zinc/25/15/45/348251545.db2.gz GKKSTNFFRRFMHC-CWRNSKLLSA-N 1 0 265.397 2.903 40 0 CFABRO Brc1cccc([C@H]2C[NH2+]CC23CC3)c1 ZINC000409429479 348601060 /nfs/dbraw/zinc/60/10/60/348601060.db2.gz CMCPTESSTDEQQU-LLVKDONJSA-N 1 0 252.155 2.916 40 0 CFABRO CCCCCC[N@@H+]1C[C@H](c2ccccc2C)[C@@H](O)[C@H]1CO ZINC000585295373 348738835 /nfs/dbraw/zinc/73/88/35/348738835.db2.gz XAQDIBMROOPXKW-KZNAEPCWSA-N 1 0 291.435 2.696 40 0 CFABRO O[C@H]1[C@H](Oc2cccc(F)c2)CCC[C@@H]1[NH+]1CCCC1 ZINC000585289053 348738852 /nfs/dbraw/zinc/73/88/52/348738852.db2.gz DPRVHGAVOKHQPU-ARFHVFGLSA-N 1 0 279.355 2.582 40 0 CFABRO COCC[C@H]1CCOC12CC[NH+](Cc1ccc(C)o1)CC2 ZINC000585102943 348734353 /nfs/dbraw/zinc/73/43/53/348734353.db2.gz LSBQFWUAXNLNLV-HNNXBMFYSA-N 1 0 293.407 2.996 40 0 CFABRO COC[C@@]12CCCO[C@H]1CC[N@H+](Cc1ccc(C)o1)C2 ZINC000107711046 186188106 /nfs/dbraw/zinc/18/81/06/186188106.db2.gz GKOXGLMHTKTTGE-HOTGVXAUSA-N 1 0 279.380 2.606 40 0 CFABRO NC(=[NH2+])S[C@@H]1c2ccccc2-c2ccc(N)cc21 ZINC000016954979 283262158 /nfs/dbraw/zinc/26/21/58/283262158.db2.gz IOXKBQLWRUYFMZ-CYBMUJFWSA-N 1 0 255.346 2.965 40 0 CFABRO Cc1ccc(C[N@@H+](CC(C)C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000575422752 540278993 /nfs/dbraw/zinc/27/89/93/540278993.db2.gz WJOFMNGUXNSJJN-MRXNPFEDSA-N 1 0 295.448 2.640 40 0 CFABRO [NH3+][C@H](c1ccccc1)c1ccc2c(c1)OCCCO2 ZINC000004255453 283620549 /nfs/dbraw/zinc/62/05/49/283620549.db2.gz BMIYJYQVIQRUFU-MRXNPFEDSA-N 1 0 255.317 2.896 40 0 CFABRO O[C@@](Cc1ccccc1)(C1CCCCC1)[C@H]1C[NH2+]CCO1 ZINC000242687267 541005875 /nfs/dbraw/zinc/00/58/75/541005875.db2.gz UCXZRTLZAKLHBM-MSOLQXFVSA-N 1 0 289.419 2.529 40 0 CFABRO C[C@H]1[C@H](C)O[C@@H]2C[C@H](C(F)(F)F)C[C@H](C[NH3+])[C@@H]12 ZINC000252550340 291301101 /nfs/dbraw/zinc/30/11/01/291301101.db2.gz SJWHBLVDVMHUKH-HGQQYVGVSA-N 1 0 251.292 2.573 40 0 CFABRO C[C@@H](NC(=O)[C@H]1CCC[NH2+]C1)C12CC3CC(CC(C3)C1)C2 ZINC000019410296 296101435 /nfs/dbraw/zinc/10/14/35/296101435.db2.gz LLBDCHCNWSXLKN-LIFKJRKOSA-N 1 0 290.451 2.707 40 0 CFABRO O=C(CC[NH+]1CCCCC1)Nc1ccc(F)cc1F ZINC000001579517 371683093 /nfs/dbraw/zinc/68/30/93/371683093.db2.gz ARVGRIMZWMRNEQ-UHFFFAOYSA-N 1 0 268.307 2.779 40 0 CFABRO C[NH+](C)[C@H](Cc1ccccc1)c1ccc(OCCO)cc1 ZINC000001668892 371693895 /nfs/dbraw/zinc/69/38/95/371693895.db2.gz KSRYLTJAAQILRA-GOSISDBHSA-N 1 0 285.387 2.903 40 0 CFABRO COc1ccc(C(=O)[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000001698292 371699138 /nfs/dbraw/zinc/69/91/38/371699138.db2.gz YUAPYBHZKDWMHE-ZDUSSCGKSA-N 1 0 261.365 3.000 40 0 CFABRO Cc1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)sc1C ZINC000002730730 371747790 /nfs/dbraw/zinc/74/77/90/371747790.db2.gz ZOXJIZQFBPSHDP-YHWZYXNKSA-N 1 0 278.421 2.720 40 0 CFABRO CNc1c2ccccc2oc(=O)c1C[NH+]1CCCCC1 ZINC000003155268 371775939 /nfs/dbraw/zinc/77/59/39/371775939.db2.gz LTACLGVDWSMUNS-UHFFFAOYSA-N 1 0 272.348 2.821 40 0 CFABRO CC(=O)N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000003955998 371825664 /nfs/dbraw/zinc/82/56/64/371825664.db2.gz ZAWRNIMKTIGMCT-UHFFFAOYSA-N 1 0 286.419 2.911 40 0 CFABRO CC(=O)c1ccccc1OC[C@@H](O)C[N@H+]1CCCC[C@H]1C ZINC000004320466 371849151 /nfs/dbraw/zinc/84/91/51/371849151.db2.gz SJVQHTYMNXUMKQ-HIFRSBDPSA-N 1 0 291.391 2.503 40 0 CFABRO OCCC[N@H+](Cc1cccs1)Cc1ccncc1 ZINC000013568163 372034174 /nfs/dbraw/zinc/03/41/74/372034174.db2.gz AOWHFPIFTKRIPX-UHFFFAOYSA-N 1 0 262.378 2.528 40 0 CFABRO O=c1[nH]c2ccccc2cc1C[NH2+]Cc1ccc(F)cc1 ZINC000013998856 372056961 /nfs/dbraw/zinc/05/69/61/372056961.db2.gz VEOBXFDRIPHWSR-UHFFFAOYSA-N 1 0 282.318 2.957 40 0 CFABRO COc1ccc(C[N@H+](CCO)Cc2cccs2)cc1 ZINC000013997419 372057013 /nfs/dbraw/zinc/05/70/13/372057013.db2.gz HGFXPKSEOVYMAM-UHFFFAOYSA-N 1 0 277.389 2.751 40 0 CFABRO O=c1[nH]c2ccccc2cc1C[NH2+]CCc1cccc(F)c1 ZINC000013998864 372057136 /nfs/dbraw/zinc/05/71/36/372057136.db2.gz JYSAYGJYFZFEOD-UHFFFAOYSA-N 1 0 296.345 3.000 40 0 CFABRO O=c1[nH]c2ccccc2cc1C[NH2+]CCc1ccccc1 ZINC000013998867 372057269 /nfs/dbraw/zinc/05/72/69/372057269.db2.gz BCYWITFCNOKKNI-UHFFFAOYSA-N 1 0 278.355 2.860 40 0 CFABRO O=c1[nH]c2ccccc2[n+]2c1S[C@H](c1ccccc1)[C@H]2O ZINC000016478207 372107132 /nfs/dbraw/zinc/10/71/32/372107132.db2.gz FZVZNKSBFIFNKU-UKRRQHHQSA-O 1 0 297.359 2.566 40 0 CFABRO CC[N+]1=C(C)c2cc(OC)c(OC)cc2CC1(C)C ZINC000016693679 372118263 /nfs/dbraw/zinc/11/82/63/372118263.db2.gz ZRNOVNLTFVNYDI-UHFFFAOYSA-N 1 0 262.373 2.880 40 0 CFABRO CC(=O)N1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCC[N@H+]2C ZINC000019017909 372147279 /nfs/dbraw/zinc/14/72/79/372147279.db2.gz OAUYLPRCQTXKKT-KZNAEPCWSA-N 1 0 286.419 2.875 40 0 CFABRO COc1ccc([C@@H]2C[NH2+][C@@H]3CCCC[C@@H]32)cc1OC ZINC000019560302 372173894 /nfs/dbraw/zinc/17/38/94/372173894.db2.gz OPRYKPBAEBDSPG-HZSPNIEDSA-N 1 0 261.365 2.949 40 0 CFABRO COc1ccc([C@H]2C[NH2+][C@H]3CCCC[C@@H]32)cc1OC ZINC000019560311 372174153 /nfs/dbraw/zinc/17/41/53/372174153.db2.gz OPRYKPBAEBDSPG-MCIONIFRSA-N 1 0 261.365 2.949 40 0 CFABRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cccc(F)c1F ZINC000019575785 372176356 /nfs/dbraw/zinc/17/63/56/372176356.db2.gz ZWXRDBBIZKRVRP-AAEUAGOBSA-N 1 0 266.335 2.633 40 0 CFABRO C[C@H](CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)c1ccccc1 ZINC000019575694 372176695 /nfs/dbraw/zinc/17/66/95/372176695.db2.gz DARBCOQPEQLZDT-VYDXJSESSA-N 1 0 258.409 2.959 40 0 CFABRO CCN(CC)CC[NH2+]Cc1cccc(Br)c1 ZINC000019919130 372210201 /nfs/dbraw/zinc/21/02/01/372210201.db2.gz WASQPTRWKKBJIZ-UHFFFAOYSA-N 1 0 285.229 2.881 40 0 CFABRO [NH3+]C[C@H](c1ccccc1C(F)(F)F)N1CCCC1 ZINC000022176268 372244675 /nfs/dbraw/zinc/24/46/75/372244675.db2.gz XWYMLVUZHUASIB-GFCCVEGCSA-N 1 0 258.287 2.801 40 0 CFABRO C[C@H]1Cc2cc(CN(C)CC[NH+]3CCCCC3)ccc2O1 ZINC000023247820 372257137 /nfs/dbraw/zinc/25/71/37/372257137.db2.gz GATDKCNJVQGLMP-HNNXBMFYSA-N 1 0 288.435 2.928 40 0 CFABRO OC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000026896711 372330601 /nfs/dbraw/zinc/33/06/01/372330601.db2.gz ZHDSKQDEYFYQBV-QZTJIDSGSA-N 1 0 267.372 2.895 40 0 CFABRO COc1ccc2c(c1)[C@@]13CC[N@H+](C)[C@@H](C2)[C@@H]1CCC(=O)C3 ZINC000027729031 372346864 /nfs/dbraw/zinc/34/68/64/372346864.db2.gz FCJHDGUWJDXJKI-RYQLBKOJSA-N 1 0 285.387 2.562 40 0 biogenic,in-vitro CFABRO O[C@H](c1ccccc1)[C@H](Cc1ccccc1)[NH+]1CCOCC1 ZINC000031923839 372422176 /nfs/dbraw/zinc/42/21/76/372422176.db2.gz BWITYFGGGWKHRC-RBUKOAKNSA-N 1 0 297.398 2.664 40 0 CFABRO C[C@H]1CCC[C@H]1OC[C@H](O)C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000035093060 372537136 /nfs/dbraw/zinc/53/71/36/372537136.db2.gz ROLPJNXSYMGNIP-AALSBFMBSA-N 1 0 269.429 2.815 40 0 CFABRO c1ccc2c(c1)cccc2OCCN1CCC[NH2+]CC1 ZINC000041392404 372835449 /nfs/dbraw/zinc/83/54/49/372835449.db2.gz REDMDDVGOFVZQJ-UHFFFAOYSA-N 1 0 270.376 2.514 40 0 CFABRO CC(C)N(CC[NH3+])Cc1ccccc1Br ZINC000042428446 372921947 /nfs/dbraw/zinc/92/19/47/372921947.db2.gz RMGNDBFKCCRQIA-UHFFFAOYSA-N 1 0 271.202 2.618 40 0 CFABRO c1cn(-c2nccnc2[C@H]2CCC[N@H+]2C2CCCC2)cn1 ZINC000072359232 374245643 /nfs/dbraw/zinc/24/56/43/374245643.db2.gz BMFBPSFUFNLRNI-CQSZACIVSA-N 1 0 283.379 2.742 40 0 CFABRO C[N@@H+]1CCC[C@H](C(=O)NCCCc2ccccc2Cl)C1 ZINC000073471497 374343764 /nfs/dbraw/zinc/34/37/64/374343764.db2.gz MDAGRMDIVIDFKX-AWEZNQCLSA-N 1 0 294.826 2.731 40 0 CFABRO C[NH+](C)CCCNc1nc2ccccc2nc1Cl ZINC000073658664 374366935 /nfs/dbraw/zinc/36/69/35/374366935.db2.gz GBPABYGTIUQXFE-UHFFFAOYSA-N 1 0 264.760 2.647 40 0 CFABRO Cc1cc(Cl)ccc1NC(=O)C1CC[NH+](C)CC1 ZINC000074713352 374434477 /nfs/dbraw/zinc/43/44/77/374434477.db2.gz KEFUIBQVJZQMMA-UHFFFAOYSA-N 1 0 266.772 2.929 40 0 CFABRO C[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000074713425 374434525 /nfs/dbraw/zinc/43/45/25/374434525.db2.gz ZQBUUHOVMXBKOP-UHFFFAOYSA-N 1 0 297.196 2.729 40 0 CFABRO CC(C)N(Cc1cc(Cl)ccc1Cl)C(=O)C[NH3+] ZINC000079420232 374609718 /nfs/dbraw/zinc/60/97/18/374609718.db2.gz HJQMQPUXQZOBRX-UHFFFAOYSA-N 1 0 275.179 2.689 40 0 CFABRO CC(C)[C@H]([NH3+])C(=O)N(Cc1nccc2ccccc21)C1CC1 ZINC000079422217 374609837 /nfs/dbraw/zinc/60/98/37/374609837.db2.gz CZWMNGLLDLVEHF-KRWDZBQOSA-N 1 0 297.402 2.709 40 0 CFABRO CC(C)N(C(=O)[C@H](C)[NH3+])[C@@H](C)c1cccc(Cl)c1 ZINC000079421221 374610780 /nfs/dbraw/zinc/61/07/80/374610780.db2.gz ZPQWAPLYNZJDNE-QWRGUYRKSA-N 1 0 268.788 2.985 40 0 CFABRO C[NH2+][C@@H]1CCCC[C@@H]1N(C(=O)OC(C)(C)C)C1CC1 ZINC000079437727 374611704 /nfs/dbraw/zinc/61/17/04/374611704.db2.gz ANGWZMALTASHTL-OLZOCXBDSA-N 1 0 268.401 2.917 40 0 CFABRO O=C(N[C@@H]1CCCC[C@@H]1[NH2+]C1CC1)OCc1ccccc1 ZINC000079437303 374611799 /nfs/dbraw/zinc/61/17/99/374611799.db2.gz ZUACXMKULIHSCY-JKSUJKDBSA-N 1 0 288.391 2.976 40 0 CFABRO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]C2CCC2)C1 ZINC000083799453 374756858 /nfs/dbraw/zinc/75/68/58/374756858.db2.gz MQPREJZJJBCJMN-GFCCVEGCSA-N 1 0 268.401 2.776 40 0 CFABRO CN1C(=O)CC[C@@]12CCC[N@H+](Cc1cccs1)CC2 ZINC000096217650 375479454 /nfs/dbraw/zinc/47/94/54/375479454.db2.gz FYTYCXDTVBJZIN-OAHLLOKOSA-N 1 0 278.421 2.725 40 0 CFABRO COCC[C@@H]1CO[C@]2(CC[N@H+](CCc3ccccc3)C2)C1 ZINC000096218258 375479841 /nfs/dbraw/zinc/47/98/41/375479841.db2.gz CJGSUPVBJMPBTM-ZWKOTPCHSA-N 1 0 289.419 2.747 40 0 CFABRO COc1cccc(C[NH2+]Cc2cnn(CC(C)C)c2)c1 ZINC000256053494 190005043 /nfs/dbraw/zinc/00/50/43/190005043.db2.gz RQXNNZMUBHWVLW-UHFFFAOYSA-N 1 0 273.380 2.838 40 0 CFABRO CCCn1cc(C[NH2+]Cc2cnn(C(C)C)c2C)c(C)n1 ZINC000256054564 190005266 /nfs/dbraw/zinc/00/52/66/190005266.db2.gz WVHVMKKZIALVPN-UHFFFAOYSA-N 1 0 289.427 2.977 40 0 CFABRO CCOCCC[NH2+]Cc1cc(C2CC2)nn1C(C)C ZINC000256051937 190003582 /nfs/dbraw/zinc/00/35/82/190003582.db2.gz LEDQCDQZPHDLQT-UHFFFAOYSA-N 1 0 265.401 2.858 40 0 CFABRO CC[NH+](CC)CCCNCc1cn(C(C)C)nc1C ZINC000256053136 190004573 /nfs/dbraw/zinc/00/45/73/190004573.db2.gz QEBIDQGBGQAMRQ-UHFFFAOYSA-N 1 0 266.433 2.594 40 0 CFABRO Fc1cccc(Cc2cncc([C@H]3CCC[NH2+]3)n2)c1 ZINC000257197661 190010260 /nfs/dbraw/zinc/01/02/60/190010260.db2.gz FXRIFQCTYQQREN-CQSZACIVSA-N 1 0 257.312 2.631 40 0 CFABRO Cc1c[nH]c([C@@H]2CCC[N@H+](CCC(F)(F)F)C2)n1 ZINC000257200723 190010837 /nfs/dbraw/zinc/01/08/37/190010837.db2.gz AEQOABXQWRHISK-SNVBAGLBSA-N 1 0 261.291 2.850 40 0 CFABRO c1ccc(CC[N@@H+]2CCO[C@@H](Cc3cccnc3)C2)cc1 ZINC000257209206 190012283 /nfs/dbraw/zinc/01/22/83/190012283.db2.gz BPJRQDUCRBJTNZ-SFHVURJKSA-N 1 0 282.387 2.568 40 0 CFABRO Cc1nn(C)c(C)c1C[N@@H+]1CCC[C@@H](Cc2ccccn2)C1 ZINC000257214968 190013312 /nfs/dbraw/zinc/01/33/12/190013312.db2.gz CODABFCXFYWNDM-INIZCTEOSA-N 1 0 298.434 2.887 40 0 CFABRO Cc1nccc([C@@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000257230118 190016516 /nfs/dbraw/zinc/01/65/16/190016516.db2.gz GAWYJQZJCPODTC-OAHLLOKOSA-N 1 0 268.364 2.560 40 0 CFABRO CC(C)[NH+]1CC2(C1)CO[C@@H](Cc1cccc(F)c1)C2 ZINC000257235479 190016738 /nfs/dbraw/zinc/01/67/38/190016738.db2.gz GYAQMPVTWAXYIH-HNNXBMFYSA-N 1 0 263.356 2.868 40 0 CFABRO c1ncc(C[N@@H+]2C[C@@H]3C[C@@H](Oc4ccccc4)C[C@@H]3C2)[nH]1 ZINC000257236097 190017738 /nfs/dbraw/zinc/01/77/38/190017738.db2.gz HATGZMXVEUYJKI-HALDLXJZSA-N 1 0 283.375 2.699 40 0 CFABRO C[C@]12CC[NH2+][C@H]1CCCCC(=O)N2Cc1ccccc1 ZINC000257236674 190017839 /nfs/dbraw/zinc/01/78/39/190017839.db2.gz HDEGIQLAGHOCNP-RDJZCZTQSA-N 1 0 272.392 2.710 40 0 CFABRO CCCCC[C@]1(O)CC[NH2+]C[C@@H]1Oc1cccc(F)c1 ZINC000257267503 190023225 /nfs/dbraw/zinc/02/32/25/190023225.db2.gz MHOMTIGJXYNNCT-HOTGVXAUSA-N 1 0 281.371 2.878 40 0 CFABRO CNc1cc([C@H]2CCC[N@@H+]2Cc2cccnc2NC)ccn1 ZINC000257266251 190023407 /nfs/dbraw/zinc/02/34/07/190023407.db2.gz MCDRJPFZHCIKLR-OAHLLOKOSA-N 1 0 297.406 2.897 40 0 CFABRO Cc1noc(C)c1-c1nc(C)cc([C@H]2CCCC[NH2+]2)n1 ZINC000257253433 190021125 /nfs/dbraw/zinc/02/11/25/190021125.db2.gz JYYAJFQVBBZVSV-GFCCVEGCSA-N 1 0 272.352 2.871 40 0 CFABRO Cc1cc(-c2ncc[nH]2)nc([C@H]2CCC[N@H+]2CC(C)C)n1 ZINC000257252850 190021211 /nfs/dbraw/zinc/02/12/11/190021211.db2.gz JWICXCAIDXMMJX-CQSZACIVSA-N 1 0 285.395 2.968 40 0 CFABRO Fc1ccc(C[N@@H+]2CCC[C@H](c3ccncn3)C2)cc1 ZINC000257256411 190021588 /nfs/dbraw/zinc/02/15/88/190021588.db2.gz KLJSEQYDWVLZOD-AWEZNQCLSA-N 1 0 271.339 2.995 40 0 CFABRO CCn1cc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3C)C2)c(C)n1 ZINC000257261822 190022432 /nfs/dbraw/zinc/02/24/32/190022432.db2.gz LIXRIXBXYTVJBY-CQSZACIVSA-N 1 0 287.411 2.623 40 0 CFABRO Cc1cccc(C[C@@H]2CCC[N@H+](Cc3cncnc3)C2)n1 ZINC000257262588 190022620 /nfs/dbraw/zinc/02/26/20/190022620.db2.gz LMACROFDHJAITL-HNNXBMFYSA-N 1 0 282.391 2.635 40 0 CFABRO OCc1ccc(-c2cc(CC[C@@H]3CCCC[NH2+]3)ncn2)cc1 ZINC000257280258 190025434 /nfs/dbraw/zinc/02/54/34/190025434.db2.gz OKEQDMORLKIXDK-INIZCTEOSA-N 1 0 297.402 2.711 40 0 CFABRO c1cc(C[N@@H+]2C[C@@H]3C[C@@H](Oc4ccccc4)C[C@@H]3C2)n[nH]1 ZINC000257287317 190027129 /nfs/dbraw/zinc/02/71/29/190027129.db2.gz PPKUIEILBSJKNG-HALDLXJZSA-N 1 0 283.375 2.699 40 0 CFABRO Cc1noc(C)c1-c1cccc(C2CC[NH2+]CC2)n1 ZINC000257276354 190025117 /nfs/dbraw/zinc/02/51/17/190025117.db2.gz NTIFEOQWMXMAOC-UHFFFAOYSA-N 1 0 257.337 2.820 40 0 CFABRO CCOCC[NH+]1CCC(Cc2ccnc(C)c2)CC1 ZINC000257301582 190030591 /nfs/dbraw/zinc/03/05/91/190030591.db2.gz RZBBSKBQEIWLBK-UHFFFAOYSA-N 1 0 262.397 2.681 40 0 CFABRO CCCn1nccc1-c1ccc(C[C@@H]2CC[NH2+]C2)cn1 ZINC000257306750 190030818 /nfs/dbraw/zinc/03/08/18/190030818.db2.gz SVRIDFREDLSJCA-AWEZNQCLSA-N 1 0 270.380 2.507 40 0 CFABRO c1csc(-c2n[nH]cc2C[N@@H+]2CC[C@H](c3cc[nH]n3)C2)c1 ZINC000257316440 190033067 /nfs/dbraw/zinc/03/30/67/190033067.db2.gz VFOVFKXSQXGEBS-NSHDSACASA-N 1 0 299.403 2.851 40 0 CFABRO Cc1cc(Nc2cccc([C@H]3CCC[NH2+]C3)n2)no1 ZINC000257319045 190033378 /nfs/dbraw/zinc/03/33/78/190033378.db2.gz VQKVBOAAQYZLFN-NSHDSACASA-N 1 0 258.325 2.589 40 0 CFABRO COc1cc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)ccc1F ZINC000257327881 190034542 /nfs/dbraw/zinc/03/45/42/190034542.db2.gz XDDBERPXRDVVKF-CYBMUJFWSA-N 1 0 289.354 2.937 40 0 CFABRO Cc1c[nH]nc1[C@@H]1CCC[N@H+](CCOc2ccccc2)C1 ZINC000257326726 190034675 /nfs/dbraw/zinc/03/46/75/190034675.db2.gz WYJIPYSDTJNCHB-OAHLLOKOSA-N 1 0 285.391 2.977 40 0 CFABRO c1ccc(C[N@H+]2CCOC[C@H](Cc3ccccn3)C2)cc1 ZINC000257326845 190034708 /nfs/dbraw/zinc/03/47/08/190034708.db2.gz WYVIEYPVWTXGPD-QGZVFWFLSA-N 1 0 282.387 2.773 40 0 CFABRO c1nc2ccccc2n1-c1cccc(C[C@H]2CCC[NH2+]C2)n1 ZINC000257335810 190036526 /nfs/dbraw/zinc/03/65/26/190036526.db2.gz YLZQNTIYCAWCIP-CQSZACIVSA-N 1 0 292.386 2.963 40 0 CFABRO [NH3+]Cc1cc(Br)c(F)cc1Br ZINC000113000692 375985480 /nfs/dbraw/zinc/98/54/80/375985480.db2.gz GXYRVRDICMNEFT-UHFFFAOYSA-N 1 0 282.938 2.809 40 0 CFABRO CCCn1cc(C[NH2+]Cc2ccccc2OC)cn1 ZINC000116911901 376215602 /nfs/dbraw/zinc/21/56/02/376215602.db2.gz XEOCSBBAVAPUHC-UHFFFAOYSA-N 1 0 259.353 2.592 40 0 CFABRO CSc1cccc(NC(=O)C2CC[NH+](C)CC2)c1 ZINC000174432808 379885970 /nfs/dbraw/zinc/88/59/70/379885970.db2.gz BCNLJCMOUGWCDB-UHFFFAOYSA-N 1 0 264.394 2.689 40 0 CFABRO c1cn(Cc2ccccn2)c([C@H]2C[NH2+]Cc3ccccc32)n1 ZINC000306137761 382453388 /nfs/dbraw/zinc/45/33/88/382453388.db2.gz RFFSXBVQGBZRJP-KRWDZBQOSA-N 1 0 290.370 2.562 40 0 CFABRO CC(=O)N1CC[C@@H](C[N@@H+](C)C[C@@H]2C(C)=CCC[C@@H]2C)C1 ZINC000191082693 382690545 /nfs/dbraw/zinc/69/05/45/382690545.db2.gz IEDCSKIRYDVMMG-BHYGNILZSA-N 1 0 278.440 2.779 40 0 CFABRO CC[C@H](Oc1cccc(C)c1C)C(=O)NCCC[NH+](C)C ZINC000216399527 382783516 /nfs/dbraw/zinc/78/35/16/382783516.db2.gz YUSAFTWOVXXYOD-HNNXBMFYSA-N 1 0 292.423 2.529 40 0 CFABRO CC(C)(C)OC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000228961945 382849842 /nfs/dbraw/zinc/84/98/42/382849842.db2.gz NCORCCNGHBEPQG-OAHLLOKOSA-N 1 0 291.391 2.619 40 0 CFABRO COCCC[NH2+]Cc1cccn1-c1ccc(F)cc1 ZINC000223683975 382806188 /nfs/dbraw/zinc/80/61/88/382806188.db2.gz QERODKLTYZRPLV-UHFFFAOYSA-N 1 0 262.328 2.743 40 0 CFABRO C[NH+](C)CCCNC(=O)c1ccc2sc(Cl)nc2c1 ZINC000225975176 382823828 /nfs/dbraw/zinc/82/38/28/382823828.db2.gz AIVBGOKWVOQRNU-UHFFFAOYSA-N 1 0 297.811 2.631 40 0 CFABRO CCn1c(C[NH2+]CCCOC)ccc1Cc1ccco1 ZINC000226021543 382824459 /nfs/dbraw/zinc/82/44/59/382824459.db2.gz WCECOHMAKOCGRU-UHFFFAOYSA-N 1 0 276.380 2.818 40 0 CFABRO CC(C)(C)OC(=O)N[C@H]1CC[C@@H]([NH2+]C2CCOCC2)CC1 ZINC000238192425 382980013 /nfs/dbraw/zinc/98/00/13/382980013.db2.gz ITOPAWCSWDKAHS-JOCQHMNTSA-N 1 0 298.427 2.591 40 0 CFABRO CC[C@H](C)[N@@H+]1CC[C@]2(C1)CCCN(c1ccc(C)nn1)C2 ZINC000247924453 383200985 /nfs/dbraw/zinc/20/09/85/383200985.db2.gz OUSXKZPZYZMLOP-RDJZCZTQSA-N 1 0 288.439 2.876 40 0 CFABRO c1cncc(CO[C@@H]2CSC3(C[NH+](CC4CC4)C3)C2)c1 ZINC000253591416 383463978 /nfs/dbraw/zinc/46/39/78/383463978.db2.gz NCDMCQNNRTXSIO-HNNXBMFYSA-N 1 0 290.432 2.568 40 0 CFABRO c1cc2n(c1)C[C@@H](OCc1cccnc1)C[N@@H+](CC1CC1)C2 ZINC000253588458 383464039 /nfs/dbraw/zinc/46/40/39/383464039.db2.gz DJLMEPYIXFDMMW-SFHVURJKSA-N 1 0 297.402 2.694 40 0 CFABRO Cc1cc2c[nH+]cn2c([C@H]2CCCCN2C(=O)C(C)C)n1 ZINC000257235957 383493623 /nfs/dbraw/zinc/49/36/23/383493623.db2.gz HAFPGZVHQXYQTP-CQSZACIVSA-N 1 0 286.379 2.747 40 0 CFABRO Cn1nccc1C[N@@H+]1C[C@@H]2C[C@@H](Oc3ccccc3)C[C@@H]2C1 ZINC000257329382 383495469 /nfs/dbraw/zinc/49/54/69/383495469.db2.gz XJTLYRVNCGLWEL-HWWDLCQESA-N 1 0 297.402 2.710 40 0 CFABRO Fc1ccc(F)c(N2CC[NH2+][C@@H]3CCCC[C@@H]32)c1 ZINC000225713877 256700245 /nfs/dbraw/zinc/70/02/45/256700245.db2.gz KBKLCCLOIRIZQD-OLZOCXBDSA-N 1 0 252.308 2.686 40 0 CFABRO CC(C)C[N@@H+]1CCC[C@@H]1c1cccnc1N1CCOCC1 ZINC000072216225 256711073 /nfs/dbraw/zinc/71/10/73/256711073.db2.gz LUVBYXBQKCXKQL-MRXNPFEDSA-N 1 0 289.423 2.711 40 0 CFABRO CCO[C@@H]1CC2(CC[NH2+]CC2)c2cc(OC)ccc21 ZINC000096241873 256831684 /nfs/dbraw/zinc/83/16/84/256831684.db2.gz QAPXFDYCDHRZKV-OAHLLOKOSA-N 1 0 261.365 2.798 40 0 CFABRO C[C@H]1CCC[N@H+](CC(=O)N2CCCc3ccccc32)C1 ZINC000000411572 393449177 /nfs/dbraw/zinc/44/91/77/393449177.db2.gz QPGREPGTMYXNGJ-AWEZNQCLSA-N 1 0 272.392 2.698 40 0 CFABRO Cc1cc(C[NH3+])cnc1N1CCCc2ccccc21 ZINC000072222868 393646590 /nfs/dbraw/zinc/64/65/90/393646590.db2.gz SLRBEPYMYOLUFN-UHFFFAOYSA-N 1 0 253.349 2.933 40 0 CFABRO CC[N@@H+]1CCCC[C@@H]1c1cnc(N2CCOCC2)c(C)c1 ZINC000072219356 393646625 /nfs/dbraw/zinc/64/66/25/393646625.db2.gz IYMNQPLFMUBBBM-MRXNPFEDSA-N 1 0 289.423 2.774 40 0 CFABRO CC(C)(C)OC(=O)[C@H](N)CCCCCCCCC[NH3+] ZINC000090609430 393779914 /nfs/dbraw/zinc/77/99/14/393779914.db2.gz ZMSPQQATWLAOSV-CYBMUJFWSA-N 1 0 272.433 2.735 40 0 CFABRO O=C1[C@@H]2C[N@H+](Cc3ccsc3)C[C@H]2CN1c1ccccc1 ZINC000247707179 393902628 /nfs/dbraw/zinc/90/26/28/393902628.db2.gz GBXOLJUGJKBEIV-GOEBONIOSA-N 1 0 298.411 2.843 40 0 CFABRO CC(C)N1C[C@@]2(CCC[N@H+](CCc3ccccc3)C2)C1=O ZINC000585099342 395100043 /nfs/dbraw/zinc/10/00/43/395100043.db2.gz GLIZFSZGGZUPBE-SFHVURJKSA-N 1 0 286.419 2.562 40 0 CFABRO CC[NH+](CC)CCC[C@@H](C)NC(=O)OCC(C)C ZINC000001690148 169743377 /nfs/dbraw/zinc/74/33/77/169743377.db2.gz BYZYPZKKNUJFMD-CYBMUJFWSA-N 1 0 258.406 2.879 40 0 CFABRO CNC(=O)c1cc(/C=C/c2c[nH]c3ccccc23)c[n+](C)c1 ZINC000001704385 169745643 /nfs/dbraw/zinc/74/56/43/169745643.db2.gz JCKLVNMKTCAUOJ-BQYQJAHWSA-O 1 0 292.362 2.522 40 0 CFABRO C[N@H+]1[C@@H]2CC[C@H]1CC(OC(=O)/C=C\c1ccccc1)C2 ZINC000004772991 170014515 /nfs/dbraw/zinc/01/45/15/170014515.db2.gz WTIWQHQPUWFUPX-ZDNLYPJASA-N 1 0 271.360 2.868 40 0 CFABRO C[NH+](C)CCCNc1n[nH]c2cccc(Cl)c21 ZINC000004771963 170014725 /nfs/dbraw/zinc/01/47/25/170014725.db2.gz VJIMSANBPRSFGE-UHFFFAOYSA-N 1 0 252.749 2.580 40 0 CFABRO C[n+]1ccccc1/C=C\c1ccc(O)c2ncccc12 ZINC000004900200 170037847 /nfs/dbraw/zinc/03/78/47/170037847.db2.gz HAEPBSGZOUOFRG-UHFFFAOYSA-O 1 0 263.320 2.935 40 0 CFABRO C[NH+](C)CCNC(=O)/C=C/c1ccc(Cl)cc1Cl ZINC000005508995 170105866 /nfs/dbraw/zinc/10/58/66/170105866.db2.gz VHHFMZVHEXJSIB-GQCTYLIASA-N 1 0 287.190 2.684 40 0 CFABRO Nc1cccc(OC[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000005552252 170112599 /nfs/dbraw/zinc/11/25/99/170112599.db2.gz HDXSSQBGRXLIOW-BBRMVZONSA-N 1 0 260.381 2.912 40 0 CFABRO CCOC[C@H](C[NH+](CC)CC)OC(=O)Nc1ccccc1 ZINC000005573069 170115168 /nfs/dbraw/zinc/11/51/68/170115168.db2.gz HRCJSNGIUGVHDW-HNNXBMFYSA-N 1 0 294.395 2.982 40 0 CFABRO O=C(OC[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccccc1O ZINC000005636737 170122729 /nfs/dbraw/zinc/12/27/29/170122729.db2.gz FPBZOZUALKCMGP-HIFRSBDPSA-N 1 0 289.375 2.814 40 0 CFABRO CC(C)C[NH2+]C[C@H](O)COc1cccc2ccccc21 ZINC000005759281 170137718 /nfs/dbraw/zinc/13/77/18/170137718.db2.gz BBNJVDLLHMJGCV-HNNXBMFYSA-N 1 0 273.376 2.825 40 0 CFABRO CCC(=O)NC(=S)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000005822699 170144082 /nfs/dbraw/zinc/14/40/82/170144082.db2.gz VPIBYNZADQRGNT-UHFFFAOYSA-N 1 0 291.420 2.505 40 0 CFABRO CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OC[C@H](O)C[NH+]1CCCC1)C2 ZINC000009970710 170392436 /nfs/dbraw/zinc/39/24/36/170392436.db2.gz QQBJUDBLFGXHQW-ANQUJSFKSA-N 1 0 281.440 2.675 40 0 CFABRO CCn1cc(-c2cncn2C[C@@H](C)[NH+]2CCCCC2)cn1 ZINC000019719617 170842999 /nfs/dbraw/zinc/84/29/99/170842999.db2.gz ARSBDIRQYDVSCL-CQSZACIVSA-N 1 0 287.411 2.641 40 0 CFABRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)C1CC1 ZINC000021637766 171317661 /nfs/dbraw/zinc/31/76/61/171317661.db2.gz SJKDAMHFIFOZAN-UHFFFAOYSA-N 1 0 272.392 2.699 40 0 CFABRO c1ccc(C[N@@H+]2CC[C@H](c3nc4cccnc4[nH]3)C2)cc1 ZINC000035442890 172202946 /nfs/dbraw/zinc/20/29/46/172202946.db2.gz AFVFMRNABIHVBU-AWEZNQCLSA-N 1 0 278.359 2.947 40 0 biogenic,in-vitro CFABRO CC(C)[C@H]([NH3+])c1nc2cc(Br)ccc2[nH]1 ZINC000037441198 173211477 /nfs/dbraw/zinc/21/14/77/173211477.db2.gz NGMMILUGFRSYMD-JTQLQIEISA-N 1 0 268.158 2.981 40 0 CFABRO O=C(NC1CC1)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000038850078 174157891 /nfs/dbraw/zinc/15/78/91/174157891.db2.gz VFBOLJZCSUJOIV-ZDUSSCGKSA-N 1 0 292.810 2.831 40 0 CFABRO Cn1cc[n+](C(F)(F)Br)c1-c1ccccc1 ZINC000043879553 175116307 /nfs/dbraw/zinc/11/63/07/175116307.db2.gz OBTAOGLICIFKEK-UHFFFAOYSA-N 1 0 288.115 2.881 40 0 CFABRO c1coc(-c2nnc([C@H]3CC[N@@H+](CC4CC4)C3)o2)c1 ZINC000049169541 175466394 /nfs/dbraw/zinc/46/63/94/175466394.db2.gz YWVOBVHNVJCFSR-NSHDSACASA-N 1 0 259.309 2.529 40 0 biogenic,in-vitro CFABRO [NH3+]Cc1ccc(OC2CCOCC2)c(C(F)(F)F)c1 ZINC000069289607 175822344 /nfs/dbraw/zinc/82/23/44/175822344.db2.gz IKZYLWJIWNLNKQ-UHFFFAOYSA-N 1 0 275.270 2.722 40 0 CFABRO C[C@@H]1CN(Cc2ccc(Cl)cc2Cl)CC[NH2+]1 ZINC000071585032 176210596 /nfs/dbraw/zinc/21/05/96/176210596.db2.gz NOECMLCJCJDXPU-SECBINFHSA-N 1 0 259.180 2.787 40 0 CFABRO Clc1ccc(CNC[C@H]2CCC[NH2+]2)cc1Cl ZINC000072203618 176341534 /nfs/dbraw/zinc/34/15/34/176341534.db2.gz AXETWNRBRJMSOP-SNVBAGLBSA-N 1 0 259.180 2.835 40 0 CFABRO [NH3+]CCc1c[nH]c2c1cc(F)cc2Br ZINC000072206974 176342654 /nfs/dbraw/zinc/34/26/54/176342654.db2.gz WIOKOFWNFXEQPK-UHFFFAOYSA-N 1 0 257.106 2.571 40 0 CFABRO CCOc1ccc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000072324433 176369847 /nfs/dbraw/zinc/36/98/47/176369847.db2.gz KMWWJLGVBJSXFB-HOCLYGCPSA-N 1 0 274.408 2.754 40 0 CFABRO COc1cccc(-c2nccnc2[C@@H]2CCC[N@H+](C)C2)c1 ZINC000072358367 176376486 /nfs/dbraw/zinc/37/64/86/176376486.db2.gz CLQUUDQEHXXULP-CQSZACIVSA-N 1 0 283.375 2.961 40 0 CFABRO c1ccc([C@@H]2CCC[N@@H+](Cc3ccncc3)C2)nc1 ZINC000072363799 176378183 /nfs/dbraw/zinc/37/81/83/176378183.db2.gz LGLLGQNIMCLDNV-OAHLLOKOSA-N 1 0 253.349 2.856 40 0 CFABRO COc1ccc(Cc2cc([C@@H]3CCC[NH2+]C3)nc(C)n2)cc1 ZINC000072365021 176379980 /nfs/dbraw/zinc/37/99/80/176379980.db2.gz SQQPIIUTWNYSAV-OAHLLOKOSA-N 1 0 297.402 2.851 40 0 CFABRO CC(C)[N@@H+]1CCC[C@@H]1CCc1cc(-c2cncnc2)ncn1 ZINC000072365398 176380461 /nfs/dbraw/zinc/38/04/61/176380461.db2.gz MCRHJOZMENDLRJ-MRXNPFEDSA-N 1 0 297.406 2.739 40 0 CFABRO Cc1cccc(Nc2ccc([C@H]3CCC[NH2+]3)nc2)n1 ZINC000072376693 176384917 /nfs/dbraw/zinc/38/49/17/176384917.db2.gz QZOYTGVJWRMTQT-CYBMUJFWSA-N 1 0 254.337 2.953 40 0 CFABRO Cc1nc(Nc2nccs2)cc(C2C[NH+](C(C)C)C2)n1 ZINC000072382649 176388447 /nfs/dbraw/zinc/38/84/47/176388447.db2.gz IXDYBARVLJLPSJ-UHFFFAOYSA-N 1 0 289.408 2.793 40 0 CFABRO Cc1nc(Cc2ccccc2)cc([C@@H]2CCC[NH2+]2)n1 ZINC000072384565 176388821 /nfs/dbraw/zinc/38/88/21/176388821.db2.gz IATXHAYFDIVVLQ-HNNXBMFYSA-N 1 0 253.349 2.800 40 0 CFABRO COc1cccc(C[N@@H+]2CCCC[C@@H]2c2ccnc(N)n2)c1 ZINC000072385064 176389512 /nfs/dbraw/zinc/38/95/12/176389512.db2.gz NAMSJHWWXRBLER-MRXNPFEDSA-N 1 0 298.390 2.795 40 0 CFABRO COc1ccc(Nc2cc([C@@H]3CC[NH2+]3)nc(C)n2)cc1 ZINC000072386428 176391601 /nfs/dbraw/zinc/39/16/01/176391601.db2.gz JQKPZTFZBINZSI-ZDUSSCGKSA-N 1 0 270.336 2.572 40 0 CFABRO Fc1ccccc1Cc1cnc([C@@H]2CCC[NH2+]2)cn1 ZINC000072386498 176391696 /nfs/dbraw/zinc/39/16/96/176391696.db2.gz MFMQDHHVDYUJPP-AWEZNQCLSA-N 1 0 257.312 2.631 40 0 CFABRO c1nc(NC2CCCCC2)cnc1C[C@@H]1CCC[NH2+]C1 ZINC000072386439 176391781 /nfs/dbraw/zinc/39/17/81/176391781.db2.gz ZZCKBMDOARKGIY-ZDUSSCGKSA-N 1 0 274.412 2.763 40 0 CFABRO Fc1cccc(CNc2cncc([C@H]3CCC[NH2+]3)n2)c1 ZINC000072386765 176392024 /nfs/dbraw/zinc/39/20/24/176392024.db2.gz BHDLDFAGBSTZLU-CYBMUJFWSA-N 1 0 272.327 2.652 40 0 CFABRO Cc1ccc(-c2cnc([C@@H]3CCC[NH2+]C3)cn2)cc1 ZINC000072386732 176392111 /nfs/dbraw/zinc/39/21/11/176392111.db2.gz FQONPLGOGIFOBG-CQSZACIVSA-N 1 0 253.349 2.919 40 0 CFABRO c1ccc(-c2cc(C[NH+]3CCCCC3)c3nnnn3c2)cc1 ZINC000072392292 176394542 /nfs/dbraw/zinc/39/45/42/176394542.db2.gz AFVKDAZCWCLZKY-UHFFFAOYSA-N 1 0 293.374 2.777 40 0 CFABRO CC(C)[NH2+][C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000073652606 176482491 /nfs/dbraw/zinc/48/24/91/176482491.db2.gz HQGWZMHVKLIQIS-HNNXBMFYSA-N 1 0 276.380 2.786 40 0 CFABRO Cc1cccc(CN(C(=O)[C@@H]([NH3+])C(C)C)C(C)C)c1 ZINC000079420647 177487852 /nfs/dbraw/zinc/48/78/52/177487852.db2.gz IXYCNTUYBBQPDY-HNNXBMFYSA-N 1 0 262.397 2.715 40 0 CFABRO O=C(OCc1ccccc1)N(C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000079437915 177490733 /nfs/dbraw/zinc/49/07/33/177490733.db2.gz YEEFRHHLAYRHMW-OAHLLOKOSA-N 1 0 288.391 2.787 40 0 CFABRO Cc1ccc(C(=O)N2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC000096157231 260563821 /nfs/dbraw/zinc/56/38/21/260563821.db2.gz SDAVXPGDFGUQJK-UHFFFAOYSA-N 1 0 272.392 2.601 40 0 CFABRO C[C@@H]([NH2+]Cc1cnc(N2CCCC2)nc1)c1ccccc1 ZINC000062717791 262302903 /nfs/dbraw/zinc/30/29/03/262302903.db2.gz IUQAFRHUUWHGQJ-CQSZACIVSA-N 1 0 282.391 2.928 40 0 CFABRO Brc1ccc2c(c1)C1(CCC1)[NH2+]CC2 ZINC000237989553 275370354 /nfs/dbraw/zinc/37/03/54/275370354.db2.gz BYDAFQFOHQESHU-UHFFFAOYSA-N 1 0 252.155 2.974 40 0 CFABRO CC[NH+](CC)C[C@H](O)c1ccc(Br)cc1 ZINC000001644082 276108936 /nfs/dbraw/zinc/10/89/36/276108936.db2.gz XJWACHWNQSRXKN-LBPRGKRZSA-N 1 0 272.186 2.824 40 0 CFABRO CCO[C@@H](C[NH2+]C)c1ccc(Br)cc1 ZINC000050481955 276335985 /nfs/dbraw/zinc/33/59/85/276335985.db2.gz MLUOAMRUXHHPLC-NSHDSACASA-N 1 0 258.159 2.746 40 0 CFABRO CC[n+]1c(C)n(-c2ccccc2)c(=O)c2ccccc21 ZINC000001653204 276709229 /nfs/dbraw/zinc/70/92/29/276709229.db2.gz HTQWSODKXYGNGX-UHFFFAOYSA-N 1 0 265.336 2.607 40 0 CFABRO CNc1cc(N2Cc3ccccc3C[C@@H]2C)nc(C)[nH+]1 ZINC000328979981 277043317 /nfs/dbraw/zinc/04/33/17/277043317.db2.gz GJTQRFCTGUOYDH-NSHDSACASA-N 1 0 268.364 2.778 40 0 CFABRO C[N@@H+]1[C@H](c2ccccc2F)C[C@]2(C)NC(=O)CCC[C@H]12 ZINC000257210624 277215456 /nfs/dbraw/zinc/21/54/56/277215456.db2.gz BVMDIVZJJSBPTN-DZKIICNBSA-N 1 0 276.355 2.630 40 0 CFABRO CO[C@H]1C[N@@H+](C2CCCCC2)CC[C@@]12CCCO2 ZINC000257256720 277343876 /nfs/dbraw/zinc/34/38/76/277343876.db2.gz KMOKKMOPHWQMSG-GJZGRUSLSA-N 1 0 253.386 2.589 40 0 CFABRO CC(C)(C)[NH2+]C[C@@H](O)COC12CC3CC(CC(C3)C1)C2 ZINC000027533967 278370267 /nfs/dbraw/zinc/37/02/67/278370267.db2.gz DADQGUYAYLFYOR-UZZMVUAXSA-N 1 0 281.440 2.721 40 0 CFABRO Cc1c[nH+]c2ccc(I)cc2c1N ZINC000032501174 281644869 /nfs/dbraw/zinc/64/48/69/281644869.db2.gz RGWCYXINSRHYJZ-UHFFFAOYSA-N 1 0 284.100 2.730 40 0 CFABRO [NH3+]C[C@H](c1ccccc1Br)N1CCCC1 ZINC000019422235 303418033 /nfs/dbraw/zinc/41/80/33/303418033.db2.gz YVWHMADHZSEFOS-GFCCVEGCSA-N 1 0 269.186 2.545 40 0 CFABRO c1csc([C@H]2CCC[N@@H+](Cc3cncs3)C2)n1 ZINC000092788542 327195391 /nfs/dbraw/zinc/19/53/91/327195391.db2.gz YOBQKQMPCTZYKX-JTQLQIEISA-N 1 0 265.407 2.979 40 0 CFABRO C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000498050798 329119109 /nfs/dbraw/zinc/11/91/09/329119109.db2.gz CDNDQGCEQFEPRJ-ZSBIGDGJSA-N 1 0 254.374 2.526 40 0 CFABRO c1ccc(C[NH+]2C[C@H]3CN(c4ccccn4)C[C@@H]3C2)cc1 ZINC000307010285 333011398 /nfs/dbraw/zinc/01/13/98/333011398.db2.gz NSIHZNIMTGCVJZ-IRXDYDNUSA-N 1 0 279.387 2.650 40 0 CFABRO Fc1ccc(N2CC[NH2+][C@@H]3CCCC[C@H]32)c(F)c1 ZINC000218836774 333137072 /nfs/dbraw/zinc/13/70/72/333137072.db2.gz XYHXXKPSDNNGOA-TZMCWYRMSA-N 1 0 252.308 2.686 40 0 CFABRO CCNc1ncc(C[NH2+]CCc2ccc(Cl)cc2)cn1 ZINC000062717568 333175729 /nfs/dbraw/zinc/17/57/29/333175729.db2.gz BQBWYCXJQQUTNU-UHFFFAOYSA-N 1 0 290.798 2.894 40 0 CFABRO Cc1cccc(C[NH2+]CCCNc2nc(C)cc(C)n2)c1 ZINC000062717893 333176094 /nfs/dbraw/zinc/17/60/94/333176094.db2.gz RYNIMCSOAKRCLD-UHFFFAOYSA-N 1 0 284.407 2.994 40 0 CFABRO Cc1cc(C)nc(NCCC[NH2+]CCC(C)C)n1 ZINC000062717887 333176115 /nfs/dbraw/zinc/17/61/15/333176115.db2.gz SLYIVACLCMGWJJ-UHFFFAOYSA-N 1 0 250.390 2.531 40 0 CFABRO CCOC[C@]12CCCO[C@@H]1CC[N@H+](Cc1ccc(C)o1)C2 ZINC000096039327 185068879 /nfs/dbraw/zinc/06/88/79/185068879.db2.gz DEJDKHNIGFFHTQ-IAGOWNOFSA-N 1 0 293.407 2.996 40 0 CFABRO COC[C@]12CCCO[C@@H]1CC[N@H+](Cc1cccs1)C2 ZINC000096038967 185069377 /nfs/dbraw/zinc/06/93/77/185069377.db2.gz PBHNFRYUBRNYML-HUUCEWRRSA-N 1 0 281.421 2.766 40 0 CFABRO c1coc(CN2CC[C@@]3(C2)CCC[N@@H+](CC2CC2)C3)c1 ZINC000096046929 185073539 /nfs/dbraw/zinc/07/35/39/185073539.db2.gz YYUXSBZMXRALSG-KRWDZBQOSA-N 1 0 274.408 2.978 40 0 CFABRO CCOC[C@H]1C[N@H+](CC2CC2)Cc2ncn(CC3CC3)c21 ZINC000096060333 185081201 /nfs/dbraw/zinc/08/12/01/185081201.db2.gz PNZZQNZLIQPRKI-OAHLLOKOSA-N 1 0 289.423 2.639 40 0 CFABRO Cn1ncc2c1C[N@H+](CC1CCC1)C[C@H]2COCC1CC1 ZINC000096068278 185085118 /nfs/dbraw/zinc/08/51/18/185085118.db2.gz SZJYVYSOFAYKMH-HNNXBMFYSA-N 1 0 289.423 2.546 40 0 CFABRO C[NH2+]C1CCC(N(C(=O)OC(C)(C)C)C2CC2)CC1 ZINC000079437712 290637386 /nfs/dbraw/zinc/63/73/86/290637386.db2.gz YXTUHBFFHXRUKJ-UHFFFAOYSA-N 1 0 268.401 2.917 40 0 CFABRO CC[C@@H](CO)[NH2+]Cc1ccc(-c2ccc([C@@H](C)O)cc2)o1 ZINC000007540875 529515083 /nfs/dbraw/zinc/51/50/83/529515083.db2.gz VFCQVIIDFHIXJM-DOMZBBRYSA-N 1 0 289.375 2.860 40 0 CFABRO Clc1ccccc1Cn1cc2c(n1)C[C@@H]1CC[C@H]2[NH2+]1 ZINC000096510264 347702198 /nfs/dbraw/zinc/70/21/98/347702198.db2.gz SWXKFPINAPCBMB-SMDDNHRTSA-N 1 0 273.767 2.934 40 0 CFABRO Cc1nn(-c2ccc(F)cc2)c2c1[C@@H]1CC[C@H](C2)[NH2+]1 ZINC000096510269 347702353 /nfs/dbraw/zinc/70/23/53/347702353.db2.gz JRIJBJBYCYSAPS-YPMHNXCESA-N 1 0 257.312 2.669 40 0 CFABRO CN(C)c1cc[n+](-c2nc3ccccc3s2)cc1 ZINC000115252116 347778056 /nfs/dbraw/zinc/77/80/56/347778056.db2.gz JVRVTAXYLPWCKJ-UHFFFAOYSA-N 1 0 256.354 2.639 40 0 CFABRO [NH3+]C[C@H](c1ccc(N2CCCCC2)o1)N1CCCCC1 ZINC000409438002 348602222 /nfs/dbraw/zinc/60/22/22/348602222.db2.gz BPBHEVOHIBDKKO-CQSZACIVSA-N 1 0 277.412 2.756 40 0 CFABRO CC(C)(C)OC(=O)N(C1CC1)C1(C(=[NH2+])NO)CCCC1 ZINC000409442505 348602626 /nfs/dbraw/zinc/60/26/26/348602626.db2.gz WBUQSXYDWARCFL-UHFFFAOYSA-N 1 0 283.372 2.655 40 0 CFABRO FC(F)(F)c1nc(-c2ccc([C@H]3CCC[NH2+]C3)nc2)no1 ZINC000585290129 348738774 /nfs/dbraw/zinc/73/87/74/348738774.db2.gz SQDQUYXSJGRLSV-QMMMGPOBSA-N 1 0 298.268 2.617 40 0 CFABRO Cc1cccc(O[C@@H]2CCC[C@H]([NH2+]CC(C)C)[C@H]2O)c1 ZINC000585288655 348738810 /nfs/dbraw/zinc/73/88/10/348738810.db2.gz GXBRKQUTWOAORB-GVDBMIGSSA-N 1 0 277.408 2.901 40 0 CFABRO CC[NH+](CC)CC[C@@H]1CN(C2CCC2)Cc2ccnn21 ZINC000585112787 348734265 /nfs/dbraw/zinc/73/42/65/348734265.db2.gz WMVNBCPWPHMIPV-MRXNPFEDSA-N 1 0 276.428 2.524 40 0 CFABRO CCC[n+]1cccc(-c2nc3cc(N)ccc3o2)c1 ZINC000226778082 189778467 /nfs/dbraw/zinc/77/84/67/189778467.db2.gz CVLVSOZQHNZEIW-UHFFFAOYSA-N 1 0 254.313 2.775 40 0 CFABRO O[C@@H](Cc1ccc(Br)cc1)C[NH+]1CCCCC1 ZINC000000055484 371518848 /nfs/dbraw/zinc/51/88/48/371518848.db2.gz ZTAGLHSCOKWIEI-AWEZNQCLSA-N 1 0 298.224 2.838 40 0 CFABRO Cc1ccc(-c2nc(N)s[n+]2-c2ccccc2)cc1 ZINC000001447797 371674620 /nfs/dbraw/zinc/67/46/20/371674620.db2.gz NKSMZDXKRWEVEK-UHFFFAOYSA-O 1 0 268.365 2.977 40 0 CFABRO CC(C)OC[C@@H](O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000001469614 371676808 /nfs/dbraw/zinc/67/68/08/371676808.db2.gz CQIWIJNJSIRDAF-SFHVURJKSA-N 1 0 291.435 2.727 40 0 CFABRO c1ccc2c(c1)[nH+]c1c(c2N2CCOCC2)CCCC1 ZINC000001873628 371710154 /nfs/dbraw/zinc/71/01/54/371710154.db2.gz AEFUUWFATZZAGD-UHFFFAOYSA-N 1 0 268.360 2.950 40 0 CFABRO COc1ccc([C@@H](Cc2ccccc2)[NH2+][C@@H](C)CO)cc1 ZINC000001667042 371694073 /nfs/dbraw/zinc/69/40/73/371694073.db2.gz ULKZYCNOFRSREB-KBXCAEBGSA-N 1 0 285.387 2.949 40 0 CFABRO CCOC(=O)c1ccccc1NC(=O)CC[NH+](CC)CC ZINC000001671434 371695327 /nfs/dbraw/zinc/69/53/27/371695327.db2.gz ZIYLEJRTGNUMRC-UHFFFAOYSA-N 1 0 292.379 2.534 40 0 CFABRO C[NH+](C)Cc1ccccc1CC(=O)Nc1ccccc1 ZINC000001713501 371702385 /nfs/dbraw/zinc/70/23/85/371702385.db2.gz BCUMXRCWIDMHJK-UHFFFAOYSA-N 1 0 268.360 2.929 40 0 CFABRO COc1ccc(OC[C@@H](O)C[NH2+]C(C)C)c(C(C)(C)C)c1 ZINC000002685820 371746316 /nfs/dbraw/zinc/74/63/16/371746316.db2.gz LOEXYOOALPUCKX-ZDUSSCGKSA-N 1 0 295.423 2.730 40 0 CFABRO O[C@@H](COc1ccccc1Cl)C[NH+]1CCCCCC1 ZINC000002699702 371746864 /nfs/dbraw/zinc/74/68/64/371746864.db2.gz VHMQHCCWVGKUSF-CYBMUJFWSA-N 1 0 283.799 2.956 40 0 CFABRO Cc1cccc(OC[C@H](O)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000004276565 371846113 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372569379 /nfs/dbraw/zinc/56/93/79/372569379.db2.gz ODQLPVMSNSBQPO-UHFFFAOYSA-N 1 0 256.752 2.663 40 0 CFABRO COc1ccc(C(C)(C)C)cc1NC(=O)C1CC[NH2+]CC1 ZINC000037015230 372628719 /nfs/dbraw/zinc/62/87/19/372628719.db2.gz WPFUIEQXHCNJNR-UHFFFAOYSA-N 1 0 290.407 2.931 40 0 CFABRO COCC[NH2+]Cc1cccn1Cc1ccccc1C ZINC000037696492 372691258 /nfs/dbraw/zinc/69/12/58/372691258.db2.gz JYKOPIKVJAYBHC-UHFFFAOYSA-N 1 0 258.365 2.581 40 0 CFABRO CC(C)[C@H]([NH3+])C(=O)N(Cc1c(F)cccc1Cl)C1CC1 ZINC000037801848 372714854 /nfs/dbraw/zinc/71/48/54/372714854.db2.gz AHQYKRSGRYRFDY-AWEZNQCLSA-N 1 0 298.789 2.953 40 0 CFABRO COc1ccc(CC[NH2+]C[C@@H](C)C(=O)OC(C)(C)C)cc1 ZINC000047219097 373084898 /nfs/dbraw/zinc/08/48/98/373084898.db2.gz XACBHBFOMAQHAX-CYBMUJFWSA-N 1 0 293.407 2.805 40 0 CFABRO CC(C)(C)OC(=O)CC[NH2+]CCCc1ccccc1 ZINC000047218987 373085228 /nfs/dbraw/zinc/08/52/28/373085228.db2.gz VTOWSIBBCAMLEX-UHFFFAOYSA-N 1 0 263.381 2.941 40 0 CFABRO CC(C)CC[N@@H+]1CC[C@H](c2nnc(-c3cccnc3)o2)C1 ZINC000049169680 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2.598 40 0 CFABRO CCc1nnc(Nc2cccc([C@H]3CCC[NH2+]C3)n2)s1 ZINC000257301178 190030636 /nfs/dbraw/zinc/03/06/36/190030636.db2.gz RXHZAIFTOXRZMX-JTQLQIEISA-N 1 0 289.408 2.706 40 0 CFABRO Cc1cc(C)nc([C@H]2CC[N@H+](CC3(O)CCCCC3)C2)n1 ZINC000257316629 190032413 /nfs/dbraw/zinc/03/24/13/190032413.db2.gz VGJSZIXGPASHIU-HNNXBMFYSA-N 1 0 289.423 2.578 40 0 CFABRO Cc1cc(Nc2cccc([C@@H]3CCC[NH2+]C3)n2)no1 ZINC000257319044 190033661 /nfs/dbraw/zinc/03/36/61/190033661.db2.gz VQKVBOAAQYZLFN-LLVKDONJSA-N 1 0 258.325 2.589 40 0 CFABRO Cc1nc(C2CC[NH2+]CC2)ncc1C(=O)Nc1ccccc1 ZINC000257343104 190037498 /nfs/dbraw/zinc/03/74/98/190037498.db2.gz ZRMSAWQSOGQEKA-UHFFFAOYSA-N 1 0 296.374 2.504 40 0 CFABRO Cc1cccc(Nc2cccc([C@@H]3CCC[NH2+]C3)n2)n1 ZINC000257336294 190036046 /nfs/dbraw/zinc/03/60/46/190036046.db2.gz YNUOCHBFZJAAAP-CYBMUJFWSA-N 1 0 268.364 2.996 40 0 CFABRO CC(C)[NH+]1CCC(Cc2nccnc2-c2cncn2C)CC1 ZINC000257336712 190036169 /nfs/dbraw/zinc/03/61/69/190036169.db2.gz YPRRHLKNOFZPHU-UHFFFAOYSA-N 1 0 299.422 2.540 40 0 CFABRO C[N@@H+]1CCN(CCC(F)(F)F)C[C@@H]1c1ccccc1 ZINC000257341917 190036890 /nfs/dbraw/zinc/03/68/90/190036890.db2.gz ZMLFEKCQVYURQN-CYBMUJFWSA-N 1 0 272.314 2.928 40 0 CFABRO C[C@@H]1C[NH2+]CCC[C@@H]1CNC(=O)OCc1ccccc1 ZINC000261506711 190039820 /nfs/dbraw/zinc/03/98/20/190039820.db2.gz AGEQYCBKWKQTAR-UKRRQHHQSA-N 1 0 276.380 2.549 40 0 CFABRO O[C@@H](C[NH2+][C@H]1CCCC[C@@H]1C(F)(F)F)C(F)(F)F ZINC000124289646 377035662 /nfs/dbraw/zinc/03/56/62/377035662.db2.gz JEJCURJKGQZYBR-FXQIFTODSA-N 1 0 279.224 2.620 40 0 CFABRO [NH3+]C[C@H](c1ccc(Br)cc1)N1CCCC1 ZINC000038809029 295264466 /nfs/dbraw/zinc/26/44/66/295264466.db2.gz AYXDZDZMVWQQLF-GFCCVEGCSA-N 1 0 269.186 2.545 40 0 CFABRO O=C1CC[C@@H]([NH2+]Cc2ccoc2)[C@H](c2cccc(F)c2)N1 ZINC000072398322 296325409 /nfs/dbraw/zinc/32/54/09/296325409.db2.gz QBGSUGSBWCIYTD-ZBFHGGJFSA-N 1 0 288.322 2.528 40 0 CFABRO [NH3+]CCNc1ccnc2cc(Cl)cc(Cl)c21 ZINC000222680776 382803235 /nfs/dbraw/zinc/80/32/35/382803235.db2.gz ASCAFBDLKXSLBF-UHFFFAOYSA-N 1 0 256.136 2.912 40 0 CFABRO C[NH+]1CCC(Oc2ccc(NC(=O)C3CC3)cc2)CC1 ZINC000225385930 382815000 /nfs/dbraw/zinc/81/50/00/382815000.db2.gz OEZHSJZKEBTUHA-UHFFFAOYSA-N 1 0 274.364 2.508 40 0 CFABRO Cc1ccc(NC(=S)NCCC[NH+]2CCCCC2)nc1 ZINC000225411447 382815531 /nfs/dbraw/zinc/81/55/31/382815531.db2.gz LEWVYQGNIMYUSH-UHFFFAOYSA-N 1 0 292.452 2.552 40 0 CFABRO c1cc2n(c1)C[C@H](OCc1ccncc1)C[N@@H+](CC1CC1)C2 ZINC000253588379 383464023 /nfs/dbraw/zinc/46/40/23/383464023.db2.gz APHGROSVTCZNOU-GOSISDBHSA-N 1 0 297.402 2.694 40 0 CFABRO COc1cc([C@@H](C)[NH2+][C@@H](C)[C@@H]2CCOC2)ccc1F ZINC000096489388 533119624 /nfs/dbraw/zinc/11/96/24/533119624.db2.gz FLOAITLRNRQRGY-NTZNESFSSA-N 1 0 267.344 2.910 40 0 CFABRO C[NH2+]Cc1ccc(N2CCc3ccccc32)nc1C ZINC000072224998 256704097 /nfs/dbraw/zinc/70/40/97/256704097.db2.gz QDTZVBTZQGUWMM-UHFFFAOYSA-N 1 0 253.349 2.804 40 0 CFABRO CC(C)(C)OC(=O)Nc1ccc([C@@H]2CCC[NH2+]2)cn1 ZINC000072214300 256711369 /nfs/dbraw/zinc/71/13/69/256711369.db2.gz YJTNVSGDVBKYGE-NSHDSACASA-N 1 0 263.341 2.853 40 0 CFABRO [NH3+]CCCc1nc(C2=Cc3cc(Cl)ccc3OC2)no1 ZINC000062716611 256723548 /nfs/dbraw/zinc/72/35/48/256723548.db2.gz LJQHUZYZKQOBNG-UHFFFAOYSA-N 1 0 291.738 2.547 40 0 CFABRO Cc1ccc(C[N@@H+]2CCc3ncnc(C)c3CC2)cc1 ZINC000096254952 256835403 /nfs/dbraw/zinc/83/54/03/256835403.db2.gz OVJOWHWBRKDRLT-UHFFFAOYSA-N 1 0 267.376 2.694 40 0 CFABRO CCCN(Cc1ccccn1)C[C@H]1CCC[N@@H+]1CC ZINC000023247768 393489968 /nfs/dbraw/zinc/48/99/68/393489968.db2.gz FNKYKDPXUFWVCQ-MRXNPFEDSA-N 1 0 261.413 2.778 40 0 CFABRO c1cn(CC2CC2)c([C@H]2C[NH2+]Cc3ccccc32)n1 ZINC000306130306 285535721 /nfs/dbraw/zinc/53/57/21/285535721.db2.gz JCAPAOAZKSWGMY-HNNXBMFYSA-N 1 0 253.349 2.528 40 0 CFABRO CC(C)c1scnc1NC(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000333349072 393566039 /nfs/dbraw/zinc/56/60/39/393566039.db2.gz REYLKFOPGOFBMK-VIFPVBQESA-N 1 0 282.413 2.529 40 0 CFABRO c1ccc2nc(-c3noc(C4CC[NH2+]CC4)n3)ccc2c1 ZINC000063075226 393628260 /nfs/dbraw/zinc/62/82/60/393628260.db2.gz HHVUKZFRGPJFDT-UHFFFAOYSA-N 1 0 280.331 2.752 40 0 CFABRO Cc1nc(N2CC[NH2+]CC2)ccc1SC(C)(C)C ZINC000072224634 393647734 /nfs/dbraw/zinc/64/77/34/393647734.db2.gz MLKIHQDWTOUKSO-UHFFFAOYSA-N 1 0 265.426 2.690 40 0 CFABRO CC[N@@H+]1CCC[C@@H](Nc2cncc(Br)c2)C1 ZINC000096510505 393835070 /nfs/dbraw/zinc/83/50/70/393835070.db2.gz NNCFNSURBYTISG-LLVKDONJSA-N 1 0 284.201 2.740 40 0 CFABRO CCn1c(C[NH2+]C[C@H]2CCCO2)ccc1CC(C)C ZINC000226020376 393770617 /nfs/dbraw/zinc/77/06/17/393770617.db2.gz KWVZNRKNACYCEB-MRXNPFEDSA-N 1 0 264.413 2.975 40 0 CFABRO O=C(CC1CCCC1)N1CCC2(CCC[NH2+]C2)CC1 ZINC000096157228 393815789 /nfs/dbraw/zinc/81/57/89/393815789.db2.gz KKLLPGZGWQNPMQ-UHFFFAOYSA-N 1 0 264.413 2.559 40 0 CFABRO CC(=O)N1CCC[C@@]2(CC[N@H+](Cc3ccsc3)C2)C1 ZINC000096071587 393815932 /nfs/dbraw/zinc/81/59/32/393815932.db2.gz UHZOXPMPGXAUKE-HNNXBMFYSA-N 1 0 278.421 2.583 40 0 CFABRO CCC(=O)N1N=C2[C@@H]([C@H]1c1ccco1)[C@@H](C)[N@H+](C)C[C@@H]2C ZINC000101236058 393847817 /nfs/dbraw/zinc/84/78/17/393847817.db2.gz URLGZASRDBGECB-FJXFWJLJSA-N 1 0 289.379 2.515 40 0 CFABRO CC[C@H](C)N1C[C@]2(CCC[N@@H+]([C@@H](C)CC)C2)C1=O ZINC000585099309 395100413 /nfs/dbraw/zinc/10/04/13/395100413.db2.gz CMLCFZXWVNFPCH-KCQAQPDRSA-N 1 0 252.402 2.508 40 0 CFABRO CCOC(=O)CCCSc1ncccc1[C@@H]1CCC[NH2+]1 ZINC000095095256 285702552 /nfs/dbraw/zinc/70/25/52/285702552.db2.gz BVIWMUCJEREMNP-ZDUSSCGKSA-N 1 0 294.420 2.942 40 0 CFABRO COc1ccc(Cl)cc1-c1noc([C@H]2CCC[NH2+]C2)n1 ZINC000072209115 397590669 /nfs/dbraw/zinc/59/06/69/397590669.db2.gz ASHLKGQVEUNYDZ-VIFPVBQESA-N 1 0 293.754 2.866 40 0 CFABRO Cc1ccc(-c2nc3ccccn3c2CC[NH3+])cc1 ZINC000002526960 169803141 /nfs/dbraw/zinc/80/31/41/169803141.db2.gz FKLUVZYYEIKMIJ-UHFFFAOYSA-N 1 0 251.333 2.811 40 0 CFABRO COC(=O)c1cc(C[NH2+]C2CCCCC2)ccc1O ZINC000004753935 170012106 /nfs/dbraw/zinc/01/21/06/170012106.db2.gz LLYRKLJALUQPGR-UHFFFAOYSA-N 1 0 263.337 2.601 40 0 CFABRO CC(C)[C@@H](c1nnnn1CCc1ccccc1)[NH+]1CCCC1 ZINC000004860140 170032296 /nfs/dbraw/zinc/03/22/96/170032296.db2.gz ITFKALNXSUPLSL-INIZCTEOSA-N 1 0 299.422 2.709 40 0 CFABRO Fc1ccccc1C[NH2+]CCCSc1ncccn1 ZINC000004984169 170048847 /nfs/dbraw/zinc/04/88/47/170048847.db2.gz NKURDEVFJFQNCA-UHFFFAOYSA-N 1 0 277.368 2.888 40 0 CFABRO CCCC[NH+](CCCC)C[C@@H](O)COCC(C)C ZINC000005419555 170097237 /nfs/dbraw/zinc/09/72/37/170097237.db2.gz KCFFRBVFXFIEMK-OAHLLOKOSA-N 1 0 259.434 2.922 40 0 CFABRO OCCCCCCCCCCC[NH+]1CCOCC1 ZINC000005519518 170107671 /nfs/dbraw/zinc/10/76/71/170107671.db2.gz YJBSSBMFMUWPTG-UHFFFAOYSA-N 1 0 257.418 2.822 40 0 CFABRO C[N@@H+]1CCC(c2ccccc2)(c2ccccc2)[C@H](O)C1 ZINC000005699651 170130453 /nfs/dbraw/zinc/13/04/53/170130453.db2.gz RJCOJCFNNDCSOK-QGZVFWFLSA-N 1 0 267.372 2.669 40 0 CFABRO Cc1ccccc1OC[C@@H](O)C[NH+]1CCCCCC1 ZINC000005756358 170137559 /nfs/dbraw/zinc/13/75/59/170137559.db2.gz TWBJIBXJPURTFT-HNNXBMFYSA-N 1 0 263.381 2.611 40 0 CFABRO CC/C=C\[C@@](O)(C(=O)OC1CC[NH+](C)CC1)C1CCCC1 ZINC000005954606 170162025 /nfs/dbraw/zinc/16/20/25/170162025.db2.gz KZQMQKXFKZZRSP-OSCZDJLXSA-N 1 0 295.423 2.511 40 0 CFABRO CCCCC[NH2+]C[C@@H](O)Cc1ccc(OCC)cc1 ZINC000005973225 170164632 /nfs/dbraw/zinc/16/46/32/170164632.db2.gz RXNGGPWQGKLOGA-HNNXBMFYSA-N 1 0 265.397 2.769 40 0 CFABRO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H](O)COc1ccc(F)cc1 ZINC000006008041 170167647 /nfs/dbraw/zinc/16/76/47/170167647.db2.gz CEASHOGVRDNAAP-VNHYZAJKSA-N 1 0 281.371 2.828 40 0 CFABRO C[NH+](C)CCCNC(=S)Nc1ccc(F)c(Cl)c1 ZINC000007570416 170290941 /nfs/dbraw/zinc/29/09/41/170290941.db2.gz ABGDLKIQPNNTGI-UHFFFAOYSA-N 1 0 289.807 2.717 40 0 CFABRO O=C(Cc1ccccc1)NCCC[NH+]1CCCCCC1 ZINC000013613497 170569712 /nfs/dbraw/zinc/56/97/12/170569712.db2.gz NNCUFSBPLWOMGK-UHFFFAOYSA-N 1 0 274.408 2.611 40 0 CFABRO O=C(CSc1ccccc1)NCCC[NH+]1CCCCC1 ZINC000013632230 170570612 /nfs/dbraw/zinc/57/06/12/170570612.db2.gz TWBCJPZXKNROIS-UHFFFAOYSA-N 1 0 292.448 2.771 40 0 CFABRO CCOc1ccc(C[NH2+]CCN(CC)CC)cc1OCC ZINC000022076052 171352262 /nfs/dbraw/zinc/35/22/62/171352262.db2.gz DWZZKXZBGIDYBW-UHFFFAOYSA-N 1 0 294.439 2.915 40 0 CFABRO [NH3+]C[C@@H]1CCCN(Cc2cc(Br)cs2)C1 ZINC000044471107 175177526 /nfs/dbraw/zinc/17/75/26/175177526.db2.gz MCWUWORQEFEHSJ-VIFPVBQESA-N 1 0 289.242 2.681 40 0 CFABRO Clc1ccc(Cl)c(CN[C@@H]2CCC[NH2+]C2)c1 ZINC000072203579 176341704 /nfs/dbraw/zinc/34/17/04/176341704.db2.gz WZIMEYMDLOHJKJ-LLVKDONJSA-N 1 0 259.180 2.835 40 0 CFABRO OCc1cccc(-c2cccc([C@@H]3CCC[NH2+]C3)n2)c1 ZINC000072348393 176373308 /nfs/dbraw/zinc/37/33/08/176373308.db2.gz IOQIPTSUUJWDHX-OAHLLOKOSA-N 1 0 268.360 2.708 40 0 CFABRO Cc1cc(Nc2ncccn2)cc([C@@H]2CCC[N@@H+](C)C2)n1 ZINC000072354272 176375266 /nfs/dbraw/zinc/37/52/66/176375266.db2.gz BICBSWDWRZJBIN-CYBMUJFWSA-N 1 0 283.379 2.733 40 0 CFABRO COc1ccc(Cc2cncc(CC[C@H]3CCC[NH2+]3)n2)cc1 ZINC000072365018 176379868 /nfs/dbraw/zinc/37/98/68/176379868.db2.gz MNAQXSVSWLKKFR-OAHLLOKOSA-N 1 0 297.402 2.761 40 0 CFABRO Cc1cc(C(=O)Nc2ccccc2)nc(C2CC[NH2+]CC2)n1 ZINC000072365575 176380357 /nfs/dbraw/zinc/38/03/57/176380357.db2.gz FNHMXKXVBAGVGP-UHFFFAOYSA-N 1 0 296.374 2.504 40 0 CFABRO COc1ccccc1Cc1cc(C2CC[NH2+]CC2)nc(C)n1 ZINC000072365278 176380581 /nfs/dbraw/zinc/38/05/81/176380581.db2.gz ZVYWXTMHCHVQOP-UHFFFAOYSA-N 1 0 297.402 2.851 40 0 CFABRO Cn1cc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cn1 ZINC000072367983 176382159 /nfs/dbraw/zinc/38/21/59/176382159.db2.gz YKGVXZZEXJBHLP-CQSZACIVSA-N 1 0 295.390 2.676 40 0 CFABRO Cc1cccnc1Nc1nccnc1[C@@H]1CCC[N@@H+](C)C1 ZINC000072367709 176382599 /nfs/dbraw/zinc/38/25/99/176382599.db2.gz PAPBXSWAAJUKKE-CYBMUJFWSA-N 1 0 283.379 2.733 40 0 CFABRO COc1ccc(-c2nccc([C@H]3CCC[N@@H+]3C)n2)cc1 ZINC000072376468 176385247 /nfs/dbraw/zinc/38/52/47/176385247.db2.gz SHXUEXLHUPHMPP-OAHLLOKOSA-N 1 0 269.348 2.919 40 0 CFABRO Cc1nc(-c2ccccc2)cc([C@H]2CCC[NH2+]C2)n1 ZINC000072384532 176388565 /nfs/dbraw/zinc/38/85/65/176388565.db2.gz HDQOSMRDSMEUGI-AWEZNQCLSA-N 1 0 253.349 2.919 40 0 CFABRO Cc1nc(Cc2ccc(F)cc2)cc([C@H]2CC[NH2+]C2)n1 ZINC000072384574 176388765 /nfs/dbraw/zinc/38/87/65/176388765.db2.gz LGBISMVRFNDJKC-ZDUSSCGKSA-N 1 0 271.339 2.592 40 0 CFABRO c1ccc(C[C@@H]2CCC[N@H+](Cc3ccccn3)C2)nc1 ZINC000072385079 176389378 /nfs/dbraw/zinc/38/93/78/176389378.db2.gz HFKUFNWLCYAPIN-HNNXBMFYSA-N 1 0 267.376 2.931 40 0 CFABRO c1cncc(CNc2cc([C@H]3CCC[NH2+]3)ccn2)c1 ZINC000072386505 176391832 /nfs/dbraw/zinc/39/18/32/176391832.db2.gz JXVKLCSSUSQWPO-CQSZACIVSA-N 1 0 254.337 2.513 40 0 CFABRO Cc1ccc(-c2cnc([C@H]3CCC[NH2+]C3)cn2)cc1 ZINC000072386733 176392374 /nfs/dbraw/zinc/39/23/74/176392374.db2.gz FQONPLGOGIFOBG-AWEZNQCLSA-N 1 0 253.349 2.919 40 0 CFABRO COc1ccc2[nH]c(C[N@@H+]3CCC[C@@H](CO)C3)c(C)c2c1 ZINC000072397811 176395418 /nfs/dbraw/zinc/39/54/18/176395418.db2.gz KKXAXFFGYJHZDY-CYBMUJFWSA-N 1 0 288.391 2.689 40 0 CFABRO [NH3+]CCN(Cc1ccc(Cl)cc1Cl)C1CC1 ZINC000076667940 177052060 /nfs/dbraw/zinc/05/20/60/177052060.db2.gz CPWYJLOZVVWTCM-UHFFFAOYSA-N 1 0 259.180 2.917 40 0 CFABRO CC(C)(C)OC(=O)NC1CCC([NH2+]C2CC2)CC1 ZINC000079437070 177490010 /nfs/dbraw/zinc/49/00/10/177490010.db2.gz NZOKZUFZAZBSAE-UHFFFAOYSA-N 1 0 254.374 2.574 40 0 CFABRO CCCNc1ncc(C[NH2+]Cc2cccs2)cn1 ZINC000062717685 262302413 /nfs/dbraw/zinc/30/24/13/262302413.db2.gz VCLBEJCQZMYGNS-UHFFFAOYSA-N 1 0 262.382 2.650 40 0 CFABRO CC(C)Nc1ncc(C[NH2+]Cc2cccs2)cn1 ZINC000062717611 262302681 /nfs/dbraw/zinc/30/26/81/262302681.db2.gz DGVOQWKOZYCODJ-UHFFFAOYSA-N 1 0 262.382 2.648 40 0 CFABRO Fc1ccc(CN2CCC[NH2+]CC2)c(C(F)(F)F)c1 ZINC000067799871 274910894 /nfs/dbraw/zinc/91/08/94/274910894.db2.gz VCIXBIIEWABJDG-UHFFFAOYSA-N 1 0 276.277 2.640 40 0 CFABRO CC[N@H+](C)Cc1ccc(I)cc1 ZINC000083851288 276075512 /nfs/dbraw/zinc/07/55/12/276075512.db2.gz ADHSFZQKKQUEAI-UHFFFAOYSA-N 1 0 275.133 2.743 40 0 CFABRO CC[NH+](CC)C[C@@H](O)c1ccc(Br)cc1 ZINC000006382479 276105230 /nfs/dbraw/zinc/10/52/30/276105230.db2.gz XJWACHWNQSRXKN-GFCCVEGCSA-N 1 0 272.186 2.824 40 0 CFABRO C[N@@H+]1CC[C@H](c2nnc(-c3ccc(Cl)cc3)o2)C1 ZINC000049169417 277173965 /nfs/dbraw/zinc/17/39/65/277173965.db2.gz ATGBTBUSTXXULE-JTQLQIEISA-N 1 0 263.728 2.809 40 0 biogenic,in-vitro CFABRO COc1ccc(Cl)c2c(N3CC[NH2+]CC3)cc(C)nc12 ZINC000225322126 277903218 /nfs/dbraw/zinc/90/32/18/277903218.db2.gz VQRLSQRMUYSREE-UHFFFAOYSA-N 1 0 291.782 2.615 40 0 CFABRO CC1(C)Oc2cc(O)ccc2[C@H]2O[C@H]3CC[NH2+]C[C@@H]3C[C@@H]21 ZINC000257243130 278417920 /nfs/dbraw/zinc/41/79/20/278417920.db2.gz IFOSIBYLPCAKMZ-LOHUMSBYSA-N 1 0 289.375 2.619 40 0 CFABRO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH3+])C[C@H](C(F)(F)F)C1 ZINC000217653158 278440860 /nfs/dbraw/zinc/44/08/60/278440860.db2.gz IGLQMKSPQXOIJS-YIZRAAEISA-N 1 0 282.306 2.569 40 0 CFABRO CCCC[C@H]([C@@H](O)c1ccccc1)[NH+]1CCOCC1 ZINC000031924021 278739516 /nfs/dbraw/zinc/73/95/16/278739516.db2.gz HVIAOPHTMGCYHY-CVEARBPZSA-N 1 0 263.381 2.611 40 0 CFABRO Cc1ccc(-c2ccc3c(c2)[C@@](C)([NH3+])C(=O)N3)cc1 ZINC000536557754 330365853 /nfs/dbraw/zinc/36/58/53/330365853.db2.gz XUFTXOMKYJJEEM-MRXNPFEDSA-N 1 0 252.317 2.788 40 0 CFABRO C[C@@H]([NH2+]Cc1cnc(N)nc1)C12CC3CC(CC(C3)C1)C2 ZINC000062717350 333175840 /nfs/dbraw/zinc/17/58/40/333175840.db2.gz IWJHAOHPUDWSPH-SFCYXTAJSA-N 1 0 286.423 2.753 40 0 CFABRO CC(C)(C)c1nc(Cl)cc(NCCC2CC[NH2+]CC2)n1 ZINC000329059523 519103518 /nfs/dbraw/zinc/10/35/18/519103518.db2.gz WHGVQVCIMKDQFM-UHFFFAOYSA-N 1 0 296.846 2.651 40 0 CFABRO C[C@@H]([NH3+])c1ccc(N2Cc3ccccc3C2=O)cc1 ZINC000225753495 525029034 /nfs/dbraw/zinc/02/90/34/525029034.db2.gz NWKQIPGRPMTBOK-LLVKDONJSA-N 1 0 252.317 2.867 40 0 CFABRO CC(C)Nc1nc(NCc2cccs2)cc(C2CC2)[nH+]1 ZINC000329065410 570337967 /nfs/dbraw/zinc/33/79/67/570337967.db2.gz XREHVFFWQVJTPQ-UHFFFAOYSA-N 1 0 288.420 2.692 40 0 CFABRO CC(C)(C)OC(=O)N1CCC([NH3+])(Cc2ccccc2)CC1 ZINC000096029493 185066975 /nfs/dbraw/zinc/06/69/75/185066975.db2.gz XVSKTMVTTGWRPE-UHFFFAOYSA-N 1 0 290.407 2.958 40 0 CFABRO CCOC[C@@]12CCCO[C@H]1CC[N@H+](Cc1ccc(C)o1)C2 ZINC000096039328 185069569 /nfs/dbraw/zinc/06/95/69/185069569.db2.gz DEJDKHNIGFFHTQ-IRXDYDNUSA-N 1 0 293.407 2.996 40 0 CFABRO c1csc(C[NH+]2C[C@H]3CN(Cc4ccccn4)C[C@@H]3C2)c1 ZINC000096053781 185074289 /nfs/dbraw/zinc/07/42/89/185074289.db2.gz QAGHXNLTGUOAEA-HUUCEWRRSA-N 1 0 299.443 2.707 40 0 CFABRO C[N@@H+]1CCCCC12CCN(C(=O)c1ccsc1)CC2 ZINC000096051204 185074533 /nfs/dbraw/zinc/07/45/33/185074533.db2.gz TYQNXILNQIENFH-UHFFFAOYSA-N 1 0 278.421 2.839 40 0 CFABRO Cc1ccc(C[N@@H+]2CC[C@H](O)[C@@H]2Cc2ccncc2)s1 ZINC000096061649 185082197 /nfs/dbraw/zinc/08/21/97/185082197.db2.gz XJUROJBWCDLQOY-HOTGVXAUSA-N 1 0 288.416 2.629 40 0 CFABRO CC(C)[N@@H+]1CC[C@]2(CCN(Cc3cccc(F)c3)C2=O)C1 ZINC000096063252 185083842 /nfs/dbraw/zinc/08/38/42/185083842.db2.gz JOOXEALKBMJVRI-QGZVFWFLSA-N 1 0 290.382 2.659 40 0 CFABRO CO[C@H]1CC[N@@H+](C2CCOCC2)C[C@@H]1Cc1ccccc1 ZINC000096110499 185101463 /nfs/dbraw/zinc/10/14/63/185101463.db2.gz XSVIVCMXRSYTIU-WMZOPIPTSA-N 1 0 289.419 2.745 40 0 CFABRO Cc1nc(C[NH3+])cc(-c2cccc(Br)c2)n1 ZINC000096979903 185145499 /nfs/dbraw/zinc/14/54/99/185145499.db2.gz JYJZXSDVDWZJQI-UHFFFAOYSA-N 1 0 278.153 2.673 40 0 CFABRO Cc1nc(N2CCc3ccccc3C2)cc(NC2CC2)[nH+]1 ZINC000242497330 136386165 /nfs/dbraw/zinc/38/61/65/136386165.db2.gz BSWIIVIJCIMZSP-UHFFFAOYSA-N 1 0 280.375 2.922 40 0 CFABRO C[NH2+]Cc1scc(Br)c1Br ZINC000085391239 179047730 /nfs/dbraw/zinc/04/77/30/179047730.db2.gz WRDZZULEFHTJRY-UHFFFAOYSA-N 1 0 285.004 2.993 40 0 CFABRO COC[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccc(C)s2)O1 ZINC000096110737 347701512 /nfs/dbraw/zinc/70/15/12/347701512.db2.gz OCNLNIAPHBZFQU-BPLDGKMQSA-N 1 0 281.421 2.825 40 0 CFABRO C[NH2+][C@H](C)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000214582267 348161633 /nfs/dbraw/zinc/16/16/33/348161633.db2.gz JEDCPSXKKKIRRN-LLVKDONJSA-N 1 0 256.390 2.632 40 0 CFABRO Fc1cc(F)cc(N2CC[NH2+][C@@H]3CCCC[C@H]32)c1 ZINC000218836383 348167829 /nfs/dbraw/zinc/16/78/29/348167829.db2.gz TZHBYZDJUDYFKG-ZIAGYGMSSA-N 1 0 252.308 2.686 40 0 CFABRO C[C@@H]1CCC[C@@H]1OC[C@H](O)C[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000245229231 348251671 /nfs/dbraw/zinc/25/16/71/348251671.db2.gz ROLPJNXSYMGNIP-CWVYHPPDSA-N 1 0 269.429 2.815 40 0 CFABRO [NH3+]C[C@H]1[C@@H](c2ccc(Br)cc2)C1(F)F ZINC000409434598 348601618 /nfs/dbraw/zinc/60/16/18/348601618.db2.gz YPAXIIMFZZSGAY-DTWKUNHWSA-N 1 0 262.097 2.757 40 0 CFABRO Brc1ccccc1[C@@H]1C[NH2+]CC12CC2 ZINC000409434228 348601693 /nfs/dbraw/zinc/60/16/93/348601693.db2.gz VOZFTCXXYLYLGB-JTQLQIEISA-N 1 0 252.155 2.916 40 0 CFABRO Cc1ccccc1O[C@@H]1CCC[C@H]([NH+]2CCCC2)[C@H]1O ZINC000585289557 348738921 /nfs/dbraw/zinc/73/89/21/348738921.db2.gz JULNVJIWNXNXST-USXIJHARSA-N 1 0 275.392 2.752 40 0 CFABRO O[C@H]1[C@H](Oc2ccccc2)CCC[C@@H]1[NH+]1CCCCC1 ZINC000585288885 348738961 /nfs/dbraw/zinc/73/89/61/348738961.db2.gz KWPNZYAARAGDFG-GVDBMIGSSA-N 1 0 275.392 2.833 40 0 CFABRO c1nn2ccccc2c1-c1cccc([C@@H]2CCC[NH2+]C2)n1 ZINC000585263030 348738968 /nfs/dbraw/zinc/73/89/68/348738968.db2.gz VWXBCMBGONKTLH-CYBMUJFWSA-N 1 0 278.359 2.863 40 0 CFABRO COCC[C@@H]1CCOC12CC[NH+](Cc1ccc(C)o1)CC2 ZINC000585102945 348734527 /nfs/dbraw/zinc/73/45/27/348734527.db2.gz LSBQFWUAXNLNLV-OAHLLOKOSA-N 1 0 293.407 2.996 40 0 CFABRO C(O[C@H]1CSC2(C[NH+](C3CCC3)C2)C1)C1CCOCC1 ZINC000585105448 348734700 /nfs/dbraw/zinc/73/47/00/348734700.db2.gz WRUMHOXFCKEYOJ-OAHLLOKOSA-N 1 0 297.464 2.542 40 0 CFABRO c1csc(-c2cc(C[C@H]3CCC[NH2+]C3)ccn2)n1 ZINC000585179637 348737841 /nfs/dbraw/zinc/73/78/41/348737841.db2.gz WQUPLVGZVTXMAI-GFCCVEGCSA-N 1 0 259.378 2.747 40 0 CFABRO Cc1ccc(F)c(C[N@@H+]2CCC[C@]3(CCNC3=O)CC2)c1 ZINC000108527990 186220963 /nfs/dbraw/zinc/22/09/63/186220963.db2.gz GYDGMPWZLLQZMR-KRWDZBQOSA-N 1 0 290.382 2.626 40 0 CFABRO [NH3+]C[C@@H]1CCCN(c2nc3ccc(Cl)cc3o2)C1 ZINC000036532629 283470009 /nfs/dbraw/zinc/47/00/09/283470009.db2.gz RJHQQPQJVNDOAB-VIFPVBQESA-N 1 0 265.744 2.656 40 0 CFABRO CC[NH+](CC)CCC[C@@H](C)Nc1nc(C)cc(COC)n1 ZINC000002042693 371713864 /nfs/dbraw/zinc/71/38/64/371713864.db2.gz SEFHFTAMWTUADR-CYBMUJFWSA-N 1 0 294.443 2.854 40 0 CFABRO CCOC[C@@H](C[NH+](CC)CC)OC(=O)Nc1ccccc1 ZINC000001667346 371693286 /nfs/dbraw/zinc/69/32/86/371693286.db2.gz HRCJSNGIUGVHDW-OAHLLOKOSA-N 1 0 294.395 2.982 40 0 CFABRO C[n+]1cccc(/C=C/c2ccc3cccc(O)c3n2)c1 ZINC000003954145 371825967 /nfs/dbraw/zinc/82/59/67/371825967.db2.gz RCWLCUJWVGJLGB-VQHVLOKHSA-O 1 0 263.320 2.935 40 0 in-vitro CFABRO Cc1cc(C)c2c(=O)[nH]n([C@H]3C[C@@H](C)[N@@H+](C)C[C@@H]3C)c2n1 ZINC000005179516 371879833 /nfs/dbraw/zinc/87/98/33/371879833.db2.gz DNSOMCZSWHTTIF-UHTWSYAYSA-N 1 0 288.395 2.655 40 0 CFABRO [NH3+][C@@H](c1ccc(Br)cc1)c1cccnc1 ZINC000011737285 371927365 /nfs/dbraw/zinc/92/73/65/371927365.db2.gz RUXAKBAMHWCBPS-LBPRGKRZSA-N 1 0 263.138 2.892 40 0 CFABRO Cc1[nH]c2c(cccc2C)c1CC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000012183375 371947552 /nfs/dbraw/zinc/94/75/52/371947552.db2.gz CVMQGMMUYDENET-CQSZACIVSA-N 1 0 299.418 2.538 40 0 CFABRO C[NH2+][C@@H](C)Cc1cc(OC)c(Br)cc1OC ZINC000013450454 372028701 /nfs/dbraw/zinc/02/87/01/372028701.db2.gz GURVSGCCXMIFMQ-QMMMGPOBSA-N 1 0 288.185 2.617 40 0 in-vitro CFABRO CC(C)C[NH+]1CCC2(CC1)Nc1ccccc1C1=NCCN12 ZINC000013568135 372034360 /nfs/dbraw/zinc/03/43/60/372034360.db2.gz MWPRVUONLSTFEV-UHFFFAOYSA-N 1 0 298.434 2.622 40 0 CFABRO C[NH+](C)CCCNC(=S)Nc1cccc(Cl)c1 ZINC000013820715 372050557 /nfs/dbraw/zinc/05/05/57/372050557.db2.gz HMAKMXUWNGHRCE-UHFFFAOYSA-N 1 0 271.817 2.578 40 0 CFABRO OCC[N@@H+](Cc1ccsc1)Cc1cccs1 ZINC000013997445 372057114 /nfs/dbraw/zinc/05/71/14/372057114.db2.gz CUUCXTCWSRQZCL-UHFFFAOYSA-N 1 0 253.392 2.804 40 0 CFABRO Cc1cc(C)cc(NC(=O)COc2ccc(C[NH3+])cc2)c1 ZINC000019254691 372150892 /nfs/dbraw/zinc/15/08/92/372150892.db2.gz RWFLHBQVXBQTNF-UHFFFAOYSA-N 1 0 284.359 2.780 40 0 CFABRO c1c2cccnc2n(CC[NH+]2CCCC2)c1[C@H]1CCCO1 ZINC000019347181 372156645 /nfs/dbraw/zinc/15/66/45/372156645.db2.gz AESXEIQRYKKQCN-MRXNPFEDSA-N 1 0 285.391 2.984 40 0 CFABRO CN(C)CC[NH2+][C@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000019367684 372158695 /nfs/dbraw/zinc/15/86/95/372158695.db2.gz YKMZEBJFTJPMGZ-MSOLQXFVSA-N 1 0 284.403 2.613 40 0 CFABRO COc1ccc(NC2[C@@H]3CCC[C@H]2C[NH2+]C3)c(OC)c1 ZINC000019552584 372173760 /nfs/dbraw/zinc/17/37/60/372173760.db2.gz QFIVDMFKSKLQRA-HBBFGDNQSA-N 1 0 276.380 2.504 40 0 CFABRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc(F)cc(F)c1 ZINC000019575074 372175431 /nfs/dbraw/zinc/17/54/31/372175431.db2.gz HMGJVSIRRKXLRA-ABAIWWIYSA-N 1 0 266.335 2.633 40 0 CFABRO Cc1[nH]c2c(cccc2C(=O)N[C@@H]2CCC[N@@H+](C)C2)c1C ZINC000019576940 372175557 /nfs/dbraw/zinc/17/55/57/372175557.db2.gz HZOOJDRVLXLVBZ-CYBMUJFWSA-N 1 0 285.391 2.609 40 0 CFABRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC1=Cc2ccccc2OC1 ZINC000019575040 372176652 /nfs/dbraw/zinc/17/66/52/372176652.db2.gz RARMCYJKNMCIKH-RHSMWYFYSA-N 1 0 284.403 2.631 40 0 CFABRO C[NH+]1CCN(Cc2c3cccnc3[nH]c2-c2ccco2)CC1 ZINC000019590058 372176820 /nfs/dbraw/zinc/17/68/20/372176820.db2.gz KGMSHQORCJGTCY-UHFFFAOYSA-N 1 0 296.374 2.570 40 0 CFABRO Cc1cc(C)c(C)c(OC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000026780540 372329908 /nfs/dbraw/zinc/32/99/08/372329908.db2.gz VHKKUCOTMUSOHW-MRXNPFEDSA-N 1 0 277.408 2.837 40 0 CFABRO COc1ccc2c(c1)[C@@]13CC[N@H+](C)[C@@H](C2)[C@H]1CCC(=O)C3 ZINC000027729038 372347354 /nfs/dbraw/zinc/34/73/54/372347354.db2.gz FCJHDGUWJDXJKI-BPQIPLTHSA-N 1 0 285.387 2.562 40 0 biogenic,in-vitro CFABRO Cc1ccc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)cc1 ZINC000031666627 372414307 /nfs/dbraw/zinc/41/43/07/372414307.db2.gz YBIHBJLEGXTDCM-IBGZPJMESA-N 1 0 296.414 2.851 40 0 CFABRO C[C@@H]1[C@H]([NH3+])CN1C(c1ccccc1)c1ccccc1 ZINC000034384359 372508773 /nfs/dbraw/zinc/50/87/73/372508773.db2.gz CJCQBRZYAQTEOO-CZUORRHYSA-N 1 0 252.361 2.807 40 0 CFABRO [NH3+]Cc1cccc(OCC(=O)Nc2cccc(Cl)c2)c1 ZINC000036720748 372586644 /nfs/dbraw/zinc/58/66/44/372586644.db2.gz OJALPYNQOXLOIV-UHFFFAOYSA-N 1 0 290.750 2.816 40 0 CFABRO [NH3+][C@@H]1CCCN(Cc2ccc(F)c(Br)c2)C1 ZINC000041027761 372804914 /nfs/dbraw/zinc/80/49/14/372804914.db2.gz QHPJTCAQAMRJBW-SNVBAGLBSA-N 1 0 287.176 2.511 40 0 CFABRO C[C@H](C[NH2+]Cc1cccs1)C(=O)OC(C)(C)C ZINC000047219115 373085427 /nfs/dbraw/zinc/08/54/27/373085427.db2.gz MROWJAXUIUAUGO-SNVBAGLBSA-N 1 0 255.383 2.816 40 0 CFABRO CC(C)(C)OC(=O)N[C@H]1C[NH2+][C@H](c2ccccc2)C1 ZINC000049581917 373313414 /nfs/dbraw/zinc/31/34/14/373313414.db2.gz NYHRWBNVAKQKGY-OLZOCXBDSA-N 1 0 262.353 2.614 40 0 CFABRO Fc1ccccc1[C@H]1C[N@H+](Cc2ccccc2)CCN1 ZINC000056894758 373573899 /nfs/dbraw/zinc/57/38/99/373573899.db2.gz HOPRDLBLTLJYIS-QGZVFWFLSA-N 1 0 270.351 2.972 40 0 CFABRO c1ccc2c(c1)nc(C1CC1)n2C[C@@H]1CCC[NH2+]C1 ZINC000057865714 373616399 /nfs/dbraw/zinc/61/63/99/373616399.db2.gz KGNJGTZIVOKTMW-GFCCVEGCSA-N 1 0 255.365 2.913 40 0 CFABRO FC(F)(F)Oc1ccc(CN2CC[NH2+]CC2)cc1Cl ZINC000067799174 374004515 /nfs/dbraw/zinc/00/45/15/374004515.db2.gz CORFEAHPQZDQBT-UHFFFAOYSA-N 1 0 294.704 2.644 40 0 CFABRO O=C1CC[C@@H]([NH2+]Cc2ccoc2)[C@H](c2ccccc2F)N1 ZINC000072398317 374248977 /nfs/dbraw/zinc/24/89/77/374248977.db2.gz WBGGEXHHGJDPNG-ZBFHGGJFSA-N 1 0 288.322 2.528 40 0 CFABRO CCN(Cc1ccc(Cl)cc1)C(=O)[C@@H]([NH3+])C(C)C ZINC000079420390 374610345 /nfs/dbraw/zinc/61/03/45/374610345.db2.gz GKKXDNNNARVFPV-ZDUSSCGKSA-N 1 0 268.788 2.672 40 0 CFABRO CC(C)N(C(=O)OCc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000079437840 374612116 /nfs/dbraw/zinc/61/21/16/374612116.db2.gz GMWYGDTWTAFLLF-HNNXBMFYSA-N 1 0 276.380 2.786 40 0 CFABRO CC[NH2+]C1CCC(NC(=O)OCc2ccccc2)CC1 ZINC000079437186 374612478 /nfs/dbraw/zinc/61/24/78/374612478.db2.gz QQQFIZSDSWBYDH-UHFFFAOYSA-N 1 0 276.380 2.834 40 0 CFABRO COC1CC2(C1)CC[NH+](Cc1ccc3c(c1)OCO3)CC2 ZINC000096159326 375471532 /nfs/dbraw/zinc/47/15/32/375471532.db2.gz JTCYEKHQHTVEQN-UHFFFAOYSA-N 1 0 289.375 2.806 40 0 CFABRO O=C(c1ccc(F)cc1)N1CC[C@H]2[C@H]1CC[N@@H+]2CC1CC1 ZINC000096184403 375475075 /nfs/dbraw/zinc/47/50/75/375475075.db2.gz LPTYMRCSRLAEGK-JKSUJKDBSA-N 1 0 288.366 2.525 40 0 CFABRO CC(C)[NH+]1CCC2(CCCN(c3cnccn3)C2)CC1 ZINC000096217447 375480039 /nfs/dbraw/zinc/48/00/39/375480039.db2.gz UQRFXFCLVSHNQF-UHFFFAOYSA-N 1 0 274.412 2.567 40 0 CFABRO c1ccc(C[N@@H+]2CCc3ncnc(C4CC4)c3CC2)cc1 ZINC000096255079 375481868 /nfs/dbraw/zinc/48/18/68/375481868.db2.gz LJZAYHWBVPUHQM-UHFFFAOYSA-N 1 0 279.387 2.955 40 0 CFABRO CCCn1nccc1C[NH2+]Cc1cn(C(C)C)nc1C ZINC000256051849 190003699 /nfs/dbraw/zinc/00/36/99/190003699.db2.gz KSVPMBCVJDITBJ-UHFFFAOYSA-N 1 0 275.400 2.669 40 0 CFABRO Cc1nn(C(C)C)cc1C[NH2+]Cc1cnn(CC(C)C)c1 ZINC000256051949 190004017 /nfs/dbraw/zinc/00/40/17/190004017.db2.gz LFUOTCKXEOMOOF-UHFFFAOYSA-N 1 0 289.427 2.915 40 0 CFABRO CN(C)Cc1cncc([C@H]2CCC[N@@H+]2C2CCCC2)n1 ZINC000257205800 190011225 /nfs/dbraw/zinc/01/12/25/190011225.db2.gz BAPIHZBFUPWOBG-MRXNPFEDSA-N 1 0 274.412 2.618 40 0 CFABRO Cc1cc(-c2ncc[nH]2)nc([C@@H]2CCC[N@H+]2C(C)C)n1 ZINC000257204238 190011429 /nfs/dbraw/zinc/01/14/29/190011429.db2.gz ATRIRPQNNNXWHT-ZDUSSCGKSA-N 1 0 271.368 2.720 40 0 CFABRO CCN1CCC([N@@H+]2CCC[C@H]2c2ccnc(NC)c2)CC1 ZINC000257210326 190012554 /nfs/dbraw/zinc/01/25/54/190012554.db2.gz BUCGEQBKKHZNJV-INIZCTEOSA-N 1 0 288.439 2.745 40 0 CFABRO CCn1cc(C[N@@H+]2CCC[C@H]2CCc2ccncc2)cn1 ZINC000257215284 190013515 /nfs/dbraw/zinc/01/35/15/190013515.db2.gz CPLXMUGVENFQJD-KRWDZBQOSA-N 1 0 284.407 2.895 40 0 CFABRO COc1ccccc1Cc1cncc(CC[C@@H]2CCC[NH2+]2)n1 ZINC000257225528 190015798 /nfs/dbraw/zinc/01/57/98/190015798.db2.gz FGPUFHOTDAWQKP-HNNXBMFYSA-N 1 0 297.402 2.761 40 0 CFABRO c1nc(CC[C@@H]2CCC[NH2+]2)cc(NC2CCCCC2)n1 ZINC000257230155 190016269 /nfs/dbraw/zinc/01/62/69/190016269.db2.gz GBBSIGWLPSZELL-ZDUSSCGKSA-N 1 0 274.412 2.906 40 0 CFABRO c1cc(C[NH+]2CCC(c3cnccn3)CC2)cs1 ZINC000257232461 190016720 /nfs/dbraw/zinc/01/67/20/190016720.db2.gz GKXZUDQCHYGCDF-UHFFFAOYSA-N 1 0 259.378 2.918 40 0 CFABRO Cc1nc(Nc2nccs2)cc([C@H]2CCCC[NH2+]2)n1 ZINC000257218341 190014068 /nfs/dbraw/zinc/01/40/68/190014068.db2.gz DCUDEKOUNGRNDW-SNVBAGLBSA-N 1 0 275.381 2.800 40 0 CFABRO c1cc2nccc(C3CC[NH+](Cc4cncs4)CC3)n2n1 ZINC000257216441 190014121 /nfs/dbraw/zinc/01/41/21/190014121.db2.gz CUNOKFVGSSQEHA-UHFFFAOYSA-N 1 0 299.403 2.565 40 0 CFABRO Cc1cncc(C2CC[NH+](Cc3ccccn3)CC2)n1 ZINC000257253144 190020755 /nfs/dbraw/zinc/02/07/55/190020755.db2.gz JXSUAFKIEFSNRL-UHFFFAOYSA-N 1 0 268.364 2.560 40 0 CFABRO CC(C)n1nccc1-c1cc(C[C@@H]2CC[NH2+]C2)ccn1 ZINC000257255140 190020758 /nfs/dbraw/zinc/02/07/58/190020758.db2.gz KGHKTYZZKLVJDS-AWEZNQCLSA-N 1 0 270.380 2.678 40 0 CFABRO Cc1c[nH]c([C@H]2CC[N@H+](Cc3cc(F)cc(F)c3)C2)n1 ZINC000257237224 190017713 /nfs/dbraw/zinc/01/77/13/190017713.db2.gz HFPYISRRAZKQMA-LBPRGKRZSA-N 1 0 277.318 2.986 40 0 CFABRO Cc1cc(-c2cccc([C@@H]3CCC[N@@H+](C)C3)n2)n[nH]1 ZINC000257257378 190021562 /nfs/dbraw/zinc/02/15/62/190021562.db2.gz KPJMQYCBTRQZMQ-GFCCVEGCSA-N 1 0 256.353 2.589 40 0 CFABRO C[NH+](C)CC[C@@H]1CCCCN1C(=O)Cc1ccccc1 ZINC000257256244 190021665 /nfs/dbraw/zinc/02/16/65/190021665.db2.gz KKQVGVIFLSDVTP-INIZCTEOSA-N 1 0 274.408 2.562 40 0 CFABRO Cc1ncsc1-c1cncc(C[C@@H]2CCC[N@@H+](C)C2)n1 ZINC000257262354 190022679 /nfs/dbraw/zinc/02/26/79/190022679.db2.gz LLBVELGJERNPIX-LBPRGKRZSA-N 1 0 288.420 2.793 40 0 CFABRO O=c1c2ccc([C@H]3CCC[NH2+]3)[nH]c-2cn1Cc1ccccc1 ZINC000257286024 190027293 /nfs/dbraw/zinc/02/72/93/190027293.db2.gz PJWJMFZWCPENIX-OAHLLOKOSA-N 1 0 293.370 2.662 40 0 CFABRO CCn1nccc1-c1ccc(C[C@H]2CCC[NH2+]C2)cn1 ZINC000257276012 190024631 /nfs/dbraw/zinc/02/46/31/190024631.db2.gz NRZXXOHRFUKCMT-CYBMUJFWSA-N 1 0 270.380 2.507 40 0 CFABRO Cc1ccnc([C@@H]2CC[N@H+](CCc3ccc(F)cc3)C2)n1 ZINC000257275053 190025005 /nfs/dbraw/zinc/02/50/05/190025005.db2.gz NNSRUPHODNSHMM-OAHLLOKOSA-N 1 0 285.366 2.956 40 0 CFABRO Cc1ccc(C[N@@H+]2CCC[C@@H](c3ccncn3)C2)cn1 ZINC000257292166 190027906 /nfs/dbraw/zinc/02/79/06/190027906.db2.gz QKGSLOWDLUGOSY-OAHLLOKOSA-N 1 0 268.364 2.560 40 0 CFABRO CCn1nccc1-c1cccc(C2CC[NH+](C)CC2)n1 ZINC000257293132 190028669 /nfs/dbraw/zinc/02/86/69/190028669.db2.gz QOGUZENYRZGFIQ-UHFFFAOYSA-N 1 0 270.380 2.774 40 0 CFABRO O=C(Nc1ccc(F)cc1)c1ccc([C@H]2CCC[NH2+]C2)nc1 ZINC000257297069 190029440 /nfs/dbraw/zinc/02/94/40/190029440.db2.gz RFQULUZXLVUJBZ-LBPRGKRZSA-N 1 0 299.349 2.940 40 0 CFABRO CCN1CCC([N@@H+]2CCC[C@H]2CCc2ccncc2)CC1 ZINC000257301964 190030618 /nfs/dbraw/zinc/03/06/18/190030618.db2.gz SATSIBUHTVDBHW-KRWDZBQOSA-N 1 0 287.451 2.963 40 0 CFABRO Cc1c[nH]nc1[C@H]1CCC[N@H+](CCOc2ccccc2)C1 ZINC000257326725 190034636 /nfs/dbraw/zinc/03/46/36/190034636.db2.gz WYJIPYSDTJNCHB-HNNXBMFYSA-N 1 0 285.391 2.977 40 0 CFABRO CCCC[NH+](CCCC)Cc1cc(N)nn1CC ZINC000408716335 380946155 /nfs/dbraw/zinc/94/61/55/380946155.db2.gz LSAMPFMTRQRZMO-UHFFFAOYSA-N 1 0 252.406 2.718 40 0 CFABRO O=C(C[C@@H]1CC2(CC[NH2+]CC2)c2ccccc21)NCC1CC1 ZINC000299849823 382051111 /nfs/dbraw/zinc/05/11/11/382051111.db2.gz BFBCGGUGLGQQCA-OAHLLOKOSA-N 1 0 298.430 2.711 40 0 CFABRO CCC[NH+]1CCC2(Cc3ncc(-c4cccnc4)n3C2)CC1 ZINC000306140012 382452527 /nfs/dbraw/zinc/45/25/27/382452527.db2.gz UHEKIWIOGCSPBV-UHFFFAOYSA-N 1 0 296.418 2.993 40 0 CFABRO C[NH+]1CCC(c2nnc3ccc(-c4cccs4)nn32)CC1 ZINC000306138114 382453086 /nfs/dbraw/zinc/45/30/86/382453086.db2.gz RPMYOFJDQBKXPT-UHFFFAOYSA-N 1 0 299.403 2.662 40 0 CFABRO Cc1noc(C)c1CN1CC[C@@H]2[C@H]1CC[N@H+]2CC(C)C ZINC000306139394 382453462 /nfs/dbraw/zinc/45/34/62/382453462.db2.gz SWBJLSRZBJILMZ-HZPDHXFCSA-N 1 0 277.412 2.596 40 0 CFABRO C1CC(c2nc([C@@H]3CCCSCC3)no2)CC[NH2+]1 ZINC000575415063 382770211 /nfs/dbraw/zinc/77/02/11/382770211.db2.gz NIILIYSKDYTPMS-SNVBAGLBSA-N 1 0 267.398 2.537 40 0 CFABRO [NH3+]Cc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000199523310 382772109 /nfs/dbraw/zinc/77/21/09/382772109.db2.gz SXVLKWWEVKNLGL-UHFFFAOYSA-N 1 0 281.764 2.632 40 0 CFABRO CC(=O)N1CCCCC[C@H]2[NH2+]C[C@@H](c3cccc(F)c3)[C@@H]21 ZINC000219772902 382794751 /nfs/dbraw/zinc/79/47/51/382794751.db2.gz WTRSDHVYLBJJGE-BBWFWOEESA-N 1 0 290.382 2.672 40 0 CFABRO CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCC[NH+](C)C ZINC000216399489 382783661 /nfs/dbraw/zinc/78/36/61/382783661.db2.gz YUSAFTWOVXXYOD-OAHLLOKOSA-N 1 0 292.423 2.529 40 0 CFABRO COCC[NH2+]Cc1cccn1-c1cc(C)cc(C)c1 ZINC000223682964 382806263 /nfs/dbraw/zinc/80/62/63/382806263.db2.gz XKWWRYKFSKNQEC-UHFFFAOYSA-N 1 0 258.365 2.830 40 0 CFABRO CC[NH+]1CCC2(CC1)CC(=O)c1ccc(C)cc1O2 ZINC000225816303 382821997 /nfs/dbraw/zinc/82/19/97/382821997.db2.gz DIIUHOLNJQKTPB-UHFFFAOYSA-N 1 0 259.349 2.815 40 0 CFABRO O=C1c2cc(Br)sc2C[N+]2=C1CCCC2 ZINC000013115474 285014745 /nfs/dbraw/zinc/01/47/45/285014745.db2.gz KCZCWRIXQRWJEP-UHFFFAOYSA-N 1 0 285.186 2.844 40 0 CFABRO C[C@@H]1[C@@H]2[C@@H](C[C@H](C(F)(F)F)C[C@@H]2C[NH3+])O[C@H]1C ZINC000252550341 383419502 /nfs/dbraw/zinc/41/95/02/383419502.db2.gz SJWHBLVDVMHUKH-LVGGVBNSSA-N 1 0 251.292 2.573 40 0 CFABRO Cc1c[nH]nc1[C@H]1CCCCN1Cc1cncs1 ZINC000257319242 383494983 /nfs/dbraw/zinc/49/49/83/383494983.db2.gz VRMCJBOCYCLOGN-GFCCVEGCSA-N 1 0 262.382 2.902 40 0 CFABRO CC(=O)N1CC[N@@H+](C2CCCC2)C[C@H]1c1ccccc1 ZINC000257343393 383495276 /nfs/dbraw/zinc/49/52/76/383495276.db2.gz ZSVNBXYQWJAUNZ-KRWDZBQOSA-N 1 0 272.392 2.834 40 0 CFABRO CC1(C)Oc2ccccc2[C@H]2OCC3(C[NH2+]C3)C[C@@H]21 ZINC000257345095 383495848 /nfs/dbraw/zinc/49/58/48/383495848.db2.gz ZZYDBXWIWBHEKB-GXTWGEPZSA-N 1 0 259.349 2.525 40 0 CFABRO COc1ccc([C@H](C)N2CC[NH2+][C@H]3CCC[C@@H]32)cc1 ZINC000252514574 256690195 /nfs/dbraw/zinc/69/01/95/256690195.db2.gz CWYKHCGVGDOOSN-RCBQFDQVSA-N 1 0 260.381 2.583 40 0 CFABRO [NH3+][C@@H](Cc1ccccc1)c1nc(CNc2ccccc2)n[nH]1 ZINC000095534858 256745205 /nfs/dbraw/zinc/74/52/05/256745205.db2.gz SBCAJQUTIWVARH-HNNXBMFYSA-N 1 0 293.374 2.659 40 0 CFABRO C[NH+](C)CCCNC(=O)c1cc2cc(Cl)ccc2o1 ZINC000247944119 131107756 /nfs/dbraw/zinc/10/77/56/131107756.db2.gz ASHIHGICGVLELY-UHFFFAOYSA-N 1 0 280.755 2.768 40 0 CFABRO CC[C@H]([NH2+]C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000072207688 393642225 /nfs/dbraw/zinc/64/22/25/393642225.db2.gz WHJWREPZZGMRAR-RYUDHWBXSA-N 1 0 256.390 2.632 40 0 CFABRO CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCC[NH2+]2)cn1 ZINC000072214421 393645433 /nfs/dbraw/zinc/64/54/33/393645433.db2.gz WECDTPYEZOKZPF-GFCCVEGCSA-N 1 0 277.368 2.877 40 0 CFABRO [NH3+][C@@H](c1ccccc1)c1ccc(N2CCCC2)nc1 ZINC000072225438 393647808 /nfs/dbraw/zinc/64/78/08/393647808.db2.gz ZGFQWFIKYWFMPF-INIZCTEOSA-N 1 0 253.349 2.730 40 0 CFABRO CC(C)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000076696448 393690484 /nfs/dbraw/zinc/69/04/84/393690484.db2.gz BYDWEDGWCYVSAH-LBPRGKRZSA-N 1 0 256.390 2.774 40 0 CFABRO CN1CC[C@@H]([NH2+]C2CC2)c2cc(Cl)ccc2C1 ZINC000096510461 393834477 /nfs/dbraw/zinc/83/44/77/393834477.db2.gz SXLMTTGGODEZDB-CQSZACIVSA-N 1 0 250.773 2.969 40 0 CFABRO Cc1nn(-c2ccc(F)cc2)c2c1[C@H]1CC[C@@H](C2)[NH2+]1 ZINC000096510270 393835042 /nfs/dbraw/zinc/83/50/42/393835042.db2.gz JRIJBJBYCYSAPS-WCQYABFASA-N 1 0 257.312 2.669 40 0 CFABRO CC1CCN([C@H](C[NH3+])c2cncc(Br)c2)CC1 ZINC000096511151 393836003 /nfs/dbraw/zinc/83/60/03/393836003.db2.gz CPJSKASEMCDTCG-CYBMUJFWSA-N 1 0 298.228 2.576 40 0 CFABRO [NH3+][C@@H]1CCN(c2cc(-c3ccc(F)cc3)nc(C3CC3)n2)C1 ZINC000096517006 393836076 /nfs/dbraw/zinc/83/60/76/393836076.db2.gz YVUUSSIVDMPIQG-CQSZACIVSA-N 1 0 298.365 2.698 40 0 CFABRO CCOC(=O)N1CC2(CC[NH2+]CC2)c2cc(Cl)ccc21 ZINC000096157318 393816069 /nfs/dbraw/zinc/81/60/69/393816069.db2.gz UFGJPYNFOLQOQV-UHFFFAOYSA-N 1 0 294.782 2.938 40 0 CFABRO CC(C)N1C[C@]2(CCC[N@H+](CC3CCCCC3)C2)C1=O ZINC000585099280 395099973 /nfs/dbraw/zinc/09/99/73/395099973.db2.gz ARHUNNLLFWBREA-QGZVFWFLSA-N 1 0 278.440 2.900 40 0 CFABRO CC(C)N1C[C@]2(CCC[N@H+](CCc3ccccc3)C2)C1=O ZINC000585099341 395100247 /nfs/dbraw/zinc/10/02/47/395100247.db2.gz GLIZFSZGGZUPBE-GOSISDBHSA-N 1 0 286.419 2.562 40 0 CFABRO O[C@H]1[C@H]([NH+]2CCCCC2)CCC[C@]12CCCCOC2 ZINC000226077593 296587052 /nfs/dbraw/zinc/58/70/52/296587052.db2.gz CYTIXFBHLGBLCA-PMPSAXMXSA-N 1 0 267.413 2.573 40 0 CFABRO c1cnc(N2CCC3(CC2)CC[NH+](CC2CC2)CC3)nc1 ZINC000096047345 296633212 /nfs/dbraw/zinc/63/32/12/296633212.db2.gz QCGCTORJGXIQNL-UHFFFAOYSA-N 1 0 286.423 2.569 40 0 CFABRO COc1cc2c(cc1OC)[C@H](C1(O)CCCCC1)[NH2+]CC2 ZINC000005844151 286260529 /nfs/dbraw/zinc/26/05/29/286260529.db2.gz AUNGERODPATJIY-MRXNPFEDSA-N 1 0 291.391 2.586 40 0 CFABRO Cn1c(SCc2ccccc2)nnc1[C@H]1CCC[NH2+]C1 ZINC000004411225 169965777 /nfs/dbraw/zinc/96/57/77/169965777.db2.gz CGJMPRKPDIKABT-ZDUSSCGKSA-N 1 0 288.420 2.574 40 0 CFABRO CC[C@]1(c2ccccc2)OC[C@H]([C@@H]2CCCC[NH2+]2)O1 ZINC000004626640 169991739 /nfs/dbraw/zinc/99/17/39/169991739.db2.gz INOYCBNLWYEPSB-XHSDSOJGSA-N 1 0 261.365 2.807 40 0 in-man CFABRO C[n+]1ccc(/C=C\c2ccc3cccc(O)c3n2)cc1 ZINC000004822024 170023526 /nfs/dbraw/zinc/02/35/26/170023526.db2.gz HHGAYQPAYNERKL-UHFFFAOYSA-O 1 0 263.320 2.935 40 0 CFABRO CC[NH2+][C@@H](COC(=O)c1ccc(N)cc1)C1CCCCC1 ZINC000005843541 170146825 /nfs/dbraw/zinc/14/68/25/170146825.db2.gz BJQCHLCEIUSSDR-INIZCTEOSA-N 1 0 290.407 2.984 40 0 CFABRO CCc1ccc(OC[C@@H](O)C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000006356291 170195011 /nfs/dbraw/zinc/19/50/11/170195011.db2.gz HVPKCRPSZRFTBQ-HOCLYGCPSA-N 1 0 277.408 2.863 40 0 CFABRO COc1ccccc1C[C@@H]([NH3+])c1ccccc1OC ZINC000006485123 170205482 /nfs/dbraw/zinc/20/54/82/170205482.db2.gz KXVQWBRFAKVCSY-CQSZACIVSA-N 1 0 257.333 2.946 40 0 CFABRO CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1OC[C@H](O)C[NH+]1CCCC1 ZINC000006617320 170219561 /nfs/dbraw/zinc/21/95/61/170219561.db2.gz XMEQDPKFUATABQ-KLZNWCGWSA-N 1 0 281.440 2.675 40 0 CFABRO Cc1cccc(NC(=S)NC[C@H]2CCC[N@@H+](C)C2)c1C ZINC000009876392 170388112 /nfs/dbraw/zinc/38/81/12/170388112.db2.gz CEUAZABVNKKLGW-CQSZACIVSA-N 1 0 291.464 2.932 40 0 CFABRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc(Cl)cc2)C1 ZINC000009876614 170388233 /nfs/dbraw/zinc/38/82/33/170388233.db2.gz XQFLWSBQSUWLRW-LLVKDONJSA-N 1 0 281.787 2.803 40 0 CFABRO Cc1cc(C)cc(NC(=S)NC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000009876161 170388387 /nfs/dbraw/zinc/38/83/87/170388387.db2.gz QJDPRYCOUYXJFJ-CQSZACIVSA-N 1 0 291.464 2.932 40 0 CFABRO Cc1cccc(NC(=S)NC[C@@H]2CCC[N@@H+](C)C2)c1C ZINC000009876383 170388476 /nfs/dbraw/zinc/38/84/76/170388476.db2.gz CEUAZABVNKKLGW-AWEZNQCLSA-N 1 0 291.464 2.932 40 0 CFABRO CC1CC[NH+](Cc2ccc(NC(N)=S)cc2)CC1 ZINC000020160467 171040076 /nfs/dbraw/zinc/04/00/76/171040076.db2.gz FPSXFIFUXBOTGO-UHFFFAOYSA-N 1 0 263.410 2.574 40 0 CFABRO O=C(OCc1ccccc1)N1CC[NH2+][C@H]2CCCC[C@H]21 ZINC000022015690 171349727 /nfs/dbraw/zinc/34/97/27/171349727.db2.gz GZTLXXIGRCPQDZ-LSDHHAIUSA-N 1 0 274.364 2.540 40 0 CFABRO CCOc1c(CNCC[NH+](CC)CC)cccc1OC ZINC000022075960 171352060 /nfs/dbraw/zinc/35/20/60/171352060.db2.gz JXMCNMYCNXXCNL-UHFFFAOYSA-N 1 0 280.412 2.525 40 0 CFABRO CC(C)[C@H]([NH3+])C(=O)N(C)[C@H](C)c1cccc(Cl)c1 ZINC000038101381 174116775 /nfs/dbraw/zinc/11/67/75/174116775.db2.gz GCKRLGREYLFMIA-MFKMUULPSA-N 1 0 268.788 2.843 40 0 CFABRO [NH3+][C@H]1CCCN(Cc2cccc(Cl)c2Cl)C1 ZINC000038539547 174145575 /nfs/dbraw/zinc/14/55/75/174145575.db2.gz WWUJOOYAAKFGDX-JTQLQIEISA-N 1 0 259.180 2.917 40 0 CFABRO Clc1nc2ccccc2nc1NCC1CC[NH2+]CC1 ZINC000040434726 174261113 /nfs/dbraw/zinc/26/11/13/174261113.db2.gz LMKNHNXAQNOOCD-UHFFFAOYSA-N 1 0 276.771 2.695 40 0 CFABRO CSc1ccc(-c2noc(C3CC[NH2+]CC3)n2)cc1 ZINC000040541748 174322798 /nfs/dbraw/zinc/32/27/98/174322798.db2.gz TUYSKFWCKPFOPY-UHFFFAOYSA-N 1 0 275.377 2.926 40 0 CFABRO CC(C)(C)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000046239345 175395192 /nfs/dbraw/zinc/39/51/92/175395192.db2.gz RMRBDHVXWVSGRK-UHFFFAOYSA-N 1 0 274.408 2.597 40 0 CFABRO CC(C)[NH+]1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000067801231 175793152 /nfs/dbraw/zinc/79/31/52/175793152.db2.gz QSOQTGMDBTXCKG-UHFFFAOYSA-N 1 0 256.390 2.632 40 0 CFABRO Fc1cccc(Cl)c1CNC[C@H]1CCCC[NH2+]1 ZINC000072203664 176341846 /nfs/dbraw/zinc/34/18/46/176341846.db2.gz FSFQEKZOGGVCAY-SNVBAGLBSA-N 1 0 256.752 2.711 40 0 CFABRO CC(C)Oc1ccc(-c2noc([C@H]3CCC[NH2+]C3)n2)cc1 ZINC000072226848 176343360 /nfs/dbraw/zinc/34/33/60/176343360.db2.gz YJSGAOQFTUOONB-ZDUSSCGKSA-N 1 0 287.363 2.991 40 0 CFABRO CCOc1ccccc1CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000072324429 176369698 /nfs/dbraw/zinc/36/96/98/176369698.db2.gz BGYIIFWTODMLGX-HOCLYGCPSA-N 1 0 274.408 2.754 40 0 CFABRO c1cc(C[NH+]2CCC(c3ccncc3)CC2)ccn1 ZINC000072351193 176374163 /nfs/dbraw/zinc/37/41/63/176374163.db2.gz ZPPBAMJQGUNSKH-UHFFFAOYSA-N 1 0 253.349 2.856 40 0 CFABRO COc1ccccc1-c1cnc([C@H]2CCC[N@H+](C)C2)cn1 ZINC000072360683 176376678 /nfs/dbraw/zinc/37/66/78/176376678.db2.gz PKZKEICJWWMWKH-ZDUSSCGKSA-N 1 0 283.375 2.961 40 0 CFABRO CC[N@@H+]1CCC[C@@H](c2cnc(Nc3ccccn3)cn2)C1 ZINC000072361574 176377303 /nfs/dbraw/zinc/37/73/03/176377303.db2.gz XLISKEVNOFIRJO-CYBMUJFWSA-N 1 0 283.379 2.815 40 0 CFABRO C[N@@H+]1CCC[C@H](Cc2cc(Nc3nccs3)ncn2)C1 ZINC000072361555 176377797 /nfs/dbraw/zinc/37/77/97/176377797.db2.gz BYKBGGAKUXNIEZ-LLVKDONJSA-N 1 0 289.408 2.561 40 0 CFABRO c1ccc(CC[NH+]2CCC(c3cnccn3)CC2)cc1 ZINC000072363753 176378239 /nfs/dbraw/zinc/37/82/39/176378239.db2.gz XZLYZSXIOUIFAW-UHFFFAOYSA-N 1 0 267.376 2.899 40 0 CFABRO Fc1ccc(-c2cnc(C[C@H]3CCC[NH2+]C3)cn2)cc1F ZINC000072365097 176379839 /nfs/dbraw/zinc/37/98/39/176379839.db2.gz CHDPHORNTAKRND-LLVKDONJSA-N 1 0 289.329 2.964 40 0 CFABRO Cc1cccc(CNc2cc([C@@H]3CCC[NH2+]C3)ccn2)n1 ZINC000072365289 176380338 /nfs/dbraw/zinc/38/03/38/176380338.db2.gz YQNGBBJRDUAEQU-OAHLLOKOSA-N 1 0 282.391 2.864 40 0 CFABRO O=C(Nc1ccc(F)cc1)c1cccc([C@@H]2CCC[NH2+]2)n1 ZINC000072365611 176380389 /nfs/dbraw/zinc/38/03/89/176380389.db2.gz GXXXTXAMYGKEOL-ZDUSSCGKSA-N 1 0 285.322 2.898 40 0 CFABRO Cc1cccc(CNc2cc([C@H]3CCC[NH2+]C3)ccn2)n1 ZINC000072365290 176380479 /nfs/dbraw/zinc/38/04/79/176380479.db2.gz YQNGBBJRDUAEQU-HNNXBMFYSA-N 1 0 282.391 2.864 40 0 CFABRO c1ccc(CCNc2cccc(C[C@H]3CC[NH2+]C3)n2)cc1 ZINC000072366288 176381192 /nfs/dbraw/zinc/38/11/92/176381192.db2.gz YVOSQMJPYHTNDG-MRXNPFEDSA-N 1 0 281.403 2.888 40 0 CFABRO CC(C)[N@@H+]1CCC[C@H](c2ccnc(Nc3cnccn3)n2)C1 ZINC000072377464 176385567 /nfs/dbraw/zinc/38/55/67/176385567.db2.gz ZHGGZKSUPCWNGV-ZDUSSCGKSA-N 1 0 298.394 2.598 40 0 CFABRO CC(C)[N@@H+]1CCC[C@@H]1c1ccnc(Nc2cnccn2)n1 ZINC000072377460 176386297 /nfs/dbraw/zinc/38/62/97/176386297.db2.gz BPMOIWHHDCBOHJ-CYBMUJFWSA-N 1 0 284.367 2.556 40 0 CFABRO c1cncc(C[C@H]2CCC[N@@H+](CC3CCOCC3)C2)c1 ZINC000072386148 176390857 /nfs/dbraw/zinc/39/08/57/176390857.db2.gz VIMLKNQNJCEIBC-QGZVFWFLSA-N 1 0 274.408 2.763 40 0 CFABRO c1cncc(C[C@@H]2CCC[N@@H+](CC3CCOCC3)C2)c1 ZINC000072386147 176390884 /nfs/dbraw/zinc/39/08/84/176390884.db2.gz VIMLKNQNJCEIBC-KRWDZBQOSA-N 1 0 274.408 2.763 40 0 CFABRO COc1ccc(Nc2cc([C@H]3CC[NH2+]3)nc(C)n2)cc1 ZINC000072386429 176391344 /nfs/dbraw/zinc/39/13/44/176391344.db2.gz JQKPZTFZBINZSI-CYBMUJFWSA-N 1 0 270.336 2.572 40 0 CFABRO C[N@@H+]1CCC[C@@H]1c1ccnc(Nc2ccccn2)c1 ZINC000072386487 176391597 /nfs/dbraw/zinc/39/15/97/176391597.db2.gz GEWFHJHWPBCSHZ-CYBMUJFWSA-N 1 0 254.337 2.987 40 0 CFABRO Cc1c[nH]nc1C1(C)CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000072388905 176393752 /nfs/dbraw/zinc/39/37/52/176393752.db2.gz CBYGERVKSCXMFY-UHFFFAOYSA-N 1 0 285.391 2.977 40 0 CFABRO C[NH+]1CCC(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000074713380 176603106 /nfs/dbraw/zinc/60/31/06/176603106.db2.gz GEPBKYFOQDGRFX-UHFFFAOYSA-N 1 0 286.297 2.986 40 0 CFABRO CCCNc1ncc(C[NH2+]CCc2ccccc2)cn1 ZINC000062717679 262302406 /nfs/dbraw/zinc/30/24/06/262302406.db2.gz TWSGBHKXHHYNFV-UHFFFAOYSA-N 1 0 270.380 2.631 40 0 CFABRO c1cc(-c2ccc3nc(C4CC[NH2+]CC4)nn3c2)cs1 ZINC000096260715 265349542 /nfs/dbraw/zinc/34/95/42/265349542.db2.gz YYXBTUQDGQZFIA-UHFFFAOYSA-N 1 0 284.388 2.925 40 0 CFABRO C[C@@H]1C[NH2+]CCN1Cc1ccc(Cl)cc1Cl ZINC000054373089 274376453 /nfs/dbraw/zinc/37/64/53/274376453.db2.gz VKOSTNKPWZPFIJ-SECBINFHSA-N 1 0 259.180 2.787 40 0 CFABRO Brc1cccc([C@H]2CN(C3CC3)CC[NH2+]2)c1 ZINC000056894808 275373434 /nfs/dbraw/zinc/37/34/34/275373434.db2.gz FEJXCZBOTAVTHF-CYBMUJFWSA-N 1 0 281.197 2.558 40 0 CFABRO CCC1c2cccn2CC[N+]1=CC(=O)c1ccc(C)cc1 ZINC000015961564 275966134 /nfs/dbraw/zinc/96/61/34/275966134.db2.gz XGJAJNTUOGFKSS-UHFFFAOYSA-N 1 0 281.379 2.768 40 0 CFABRO CC(C)c1ccc2nc(N3CC[NH2+]CC3)sc2c1 ZINC000019946381 276059088 /nfs/dbraw/zinc/05/90/88/276059088.db2.gz FKUNPTVIMSJWNR-UHFFFAOYSA-N 1 0 261.394 2.829 40 0 CFABRO CCOC(=O)c1c(N)sc2c1CC[N@H+](CC(C)C)C2 ZINC000035572274 276296767 /nfs/dbraw/zinc/29/67/67/276296767.db2.gz STKSVFKZYPRRAA-UHFFFAOYSA-N 1 0 282.409 2.521 40 0 CFABRO COc1c(Cl)c2c(c(Cl)c1OC)C[NH2+]CC2 ZINC000083255159 277788518 /nfs/dbraw/zinc/78/85/18/277788518.db2.gz FEVXENSHFGENLV-UHFFFAOYSA-N 1 0 262.136 2.656 40 0 CFABRO CC(C)(C)[NH2+]C[C@@H](O)CO[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000009970711 278370321 /nfs/dbraw/zinc/37/03/21/278370321.db2.gz MCHPMJYHXBQWRM-ZOMKSWQUSA-N 1 0 283.456 2.967 40 0 CFABRO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])Cc2ccccc21 ZINC000012957658 278404880 /nfs/dbraw/zinc/40/48/80/278404880.db2.gz FLQKOXNINDFRSF-GFCCVEGCSA-N 1 0 262.353 2.702 40 0 CFABRO Nc1ncc(-c2ccc(Cl)cc2)c([C@H]2CCC[NH2+]2)n1 ZINC000257198185 279709480 /nfs/dbraw/zinc/70/94/80/279709480.db2.gz VLWSPEKJYWESHY-GFCCVEGCSA-N 1 0 274.755 2.804 40 0 CFABRO [NH3+]CCNc1ccnc2c(Cl)cc(Cl)cc12 ZINC000222680514 327934946 /nfs/dbraw/zinc/93/49/46/327934946.db2.gz KMKLPHCIUUUYFD-UHFFFAOYSA-N 1 0 256.136 2.912 40 0 CFABRO CC[NH+](CC)C[C@@H](O)c1cnc(-c2ccccc2)nc1C ZINC000001873630 528170194 /nfs/dbraw/zinc/17/01/94/528170194.db2.gz GACFZNGMCOHKSD-MRXNPFEDSA-N 1 0 285.391 2.827 40 0 CFABRO COc1ccc(-c2nnc([C@H]([NH3+])Cc3ccccc3)[nH]2)cc1 ZINC000095534830 185008502 /nfs/dbraw/zinc/00/85/02/185008502.db2.gz IZBKTISVCIWJGK-OAHLLOKOSA-N 1 0 294.358 2.723 40 0 CFABRO O=C(OCc1cc(Cl)cc(Cl)c1)N1CC[NH2+]CC1 ZINC000095629369 185016848 /nfs/dbraw/zinc/01/68/48/185016848.db2.gz RBPSRPYEBWMAGK-UHFFFAOYSA-N 1 0 289.162 2.535 40 0 CFABRO [NH3+]CCc1ccc(Br)cc1Br ZINC000095934792 185033375 /nfs/dbraw/zinc/03/33/75/185033375.db2.gz XNLOOXUPQJKGLB-UHFFFAOYSA-N 1 0 278.975 2.713 40 0 CFABRO Cc1noc([C@@H]2C[C@H]3OCC[C@H]3[N@H+](CC3CCCC3)C2)n1 ZINC000096038931 185068736 /nfs/dbraw/zinc/06/87/36/185068736.db2.gz IKWIINQNTKQAME-RBSFLKMASA-N 1 0 291.395 2.515 40 0 CFABRO c1cncc(O[C@H]2CC[C@H]3[C@H]2OCC[N@H+]3C2CCCC2)c1 ZINC000096042145 185070590 /nfs/dbraw/zinc/07/05/90/185070590.db2.gz ZYJJHYIVOPHMGE-YESZJQIVSA-N 1 0 288.391 2.635 40 0 CFABRO CCN1C(=O)CC[C@]12CCC[N@H+](Cc1nccs1)CC2 ZINC000096047497 185072740 /nfs/dbraw/zinc/07/27/40/185072740.db2.gz OBNPDFDEQIXXSX-HNNXBMFYSA-N 1 0 293.436 2.510 40 0 CFABRO CC[C@@H]1[N@H+](Cc2ccoc2)CCC[C@]12CCC(=O)N2C ZINC000096052412 185074890 /nfs/dbraw/zinc/07/48/90/185074890.db2.gz PUEHUFVTVIQAEG-HOCLYGCPSA-N 1 0 276.380 2.645 40 0 CFABRO c1csc(C[NH+]2C[C@H]3CN(Cc4cccnc4)C[C@@H]3C2)c1 ZINC000096053725 185075066 /nfs/dbraw/zinc/07/50/66/185075066.db2.gz ACJOLGHVDXJSNP-HZPDHXFCSA-N 1 0 299.443 2.707 40 0 CFABRO CCOC[C@]12CCCO[C@H]1CC[N@H+](Cc1ccco1)C2 ZINC000096056790 185077152 /nfs/dbraw/zinc/07/71/52/185077152.db2.gz XKBHRIAJUFNVCY-JKSUJKDBSA-N 1 0 279.380 2.687 40 0 CFABRO c1coc(C[N@H+]2CC[C@H]3O[C@@H](COCC4CC4)CC[C@H]32)c1 ZINC000096056408 185077676 /nfs/dbraw/zinc/07/76/76/185077676.db2.gz BIRUMVQEQOKOKO-BRWVUGGUSA-N 1 0 291.391 2.828 40 0 CFABRO CCOC[C@H]1C[N@H+](CC2CC2)Cc2cn(CC3CC3)nc21 ZINC000096059977 185080559 /nfs/dbraw/zinc/08/05/59/185080559.db2.gz VDURKSXSACDKCP-MRXNPFEDSA-N 1 0 289.423 2.639 40 0 CFABRO CC[C@H](C)[N@@H+]1CCc2ncnc(-c3ccncc3)c2CC1 ZINC000096066746 185084177 /nfs/dbraw/zinc/08/41/77/185084177.db2.gz DOIMRAFIFFPISM-ZDUSSCGKSA-N 1 0 282.391 2.738 40 0 CFABRO CC(=O)N1CCCC[C@@]12CCC[N@H+](Cc1ccc(C)o1)C2 ZINC000096071905 185087004 /nfs/dbraw/zinc/08/70/04/185087004.db2.gz LRMBTYFMJFDBFG-KRWDZBQOSA-N 1 0 290.407 2.955 40 0 CFABRO CO[C@@H]1CC[N@@H+](C2CCOCC2)C[C@@H]1Cc1ccccc1 ZINC000096110180 185100875 /nfs/dbraw/zinc/10/08/75/185100875.db2.gz XSVIVCMXRSYTIU-FUHWJXTLSA-N 1 0 289.419 2.745 40 0 CFABRO COc1ccccc1C(=O)NCCC[NH+]1CCCCCC1 ZINC000010111117 346226132 /nfs/dbraw/zinc/22/61/32/346226132.db2.gz FDIJCPGRHAIXPD-UHFFFAOYSA-N 1 0 290.407 2.691 40 0 CFABRO Cc1ccc(CC(=O)NCC[NH+]2CCCCCC2)cc1C ZINC000026114475 346263351 /nfs/dbraw/zinc/26/33/51/346263351.db2.gz KBRPLSCIICKOAK-UHFFFAOYSA-N 1 0 288.435 2.838 40 0 CFABRO O=C1O[C@@]2(CN1c1ccc(Cl)cc1)CCC[NH2+]CC2 ZINC000218854597 348167780 /nfs/dbraw/zinc/16/77/80/348167780.db2.gz IDMJNVJQBZXYBD-AWEZNQCLSA-N 1 0 280.755 2.809 40 0 CFABRO [NH3+][C@]1(C(=O)OCc2ccccc2)CC2CCC1CC2 ZINC000253183548 348299880 /nfs/dbraw/zinc/29/98/80/348299880.db2.gz LIRJXNYQDKBOJE-LDZOIKDWSA-N 1 0 259.349 2.637 40 0 CFABRO Cc1nc(C[NH3+])cc(-c2c(F)cccc2Cl)n1 ZINC000409437219 348602357 /nfs/dbraw/zinc/60/23/57/348602357.db2.gz DUFOYELJXDQIEO-UHFFFAOYSA-N 1 0 251.692 2.703 40 0 CFABRO CN(C(=O)OC(C)(C)C)[C@@H](C(=[NH2+])NO)c1ccc(F)cc1 ZINC000409442041 348602553 /nfs/dbraw/zinc/60/25/53/348602553.db2.gz SLNKHRYPDWNRJW-LLVKDONJSA-N 1 0 297.330 2.690 40 0 CFABRO Cc1cc(C)nc(N2CC[C@H]3[C@@H](C[N@H+]3CCC(C)C)C2)n1 ZINC000585107937 348734489 /nfs/dbraw/zinc/73/44/89/348734489.db2.gz GSXICFHFHPAPLS-HOTGVXAUSA-N 1 0 288.439 2.650 40 0 CFABRO c1cnc(N2CC[C@@H]3[C@@H](C[N@H+]3CC3CCCCC3)C2)nc1 ZINC000585107991 348734663 /nfs/dbraw/zinc/73/46/63/348734663.db2.gz QKXAMHGROVEQJB-HZPDHXFCSA-N 1 0 286.423 2.567 40 0 CFABRO Fc1cccc(Cn2cc(C3CC[NH2+]CC3)cn2)c1 ZINC000585142896 348737077 /nfs/dbraw/zinc/73/70/77/348737077.db2.gz LSCKXJVWGMBNOU-UHFFFAOYSA-N 1 0 259.328 2.538 40 0 CFABRO Cc1csc(-c2cc(C)nc(CC3CC[NH2+]CC3)n2)n1 ZINC000585179620 348737585 /nfs/dbraw/zinc/73/75/85/348737585.db2.gz LTQCEWGYOIQKPP-UHFFFAOYSA-N 1 0 288.420 2.759 40 0 CFABRO COCC[NH2+]Cc1cccn1Cc1ccc(Cl)cc1 ZINC000091002127 180084121 /nfs/dbraw/zinc/08/41/21/180084121.db2.gz JYKKEBXFHHQUPI-UHFFFAOYSA-N 1 0 278.783 2.926 40 0 CFABRO O=C(OCc1ccccc1)N1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC000091303273 180129712 /nfs/dbraw/zinc/12/97/12/180129712.db2.gz JHEKXJBJPKHWHN-KRWDZBQOSA-N 1 0 288.391 2.931 40 0 CFABRO Cc1cc(F)ccc1C[N@@H+]1CCC[C@]2(CCNC2=O)CC1 ZINC000108525131 186220960 /nfs/dbraw/zinc/22/09/60/186220960.db2.gz LVYFCSKPIVTKSR-KRWDZBQOSA-N 1 0 290.382 2.626 40 0 CFABRO Cc1ccc(F)cc1C[N@@H+]1CCC[C@]2(CCNC2=O)CC1 ZINC000108527002 186221063 /nfs/dbraw/zinc/22/10/63/186221063.db2.gz NRPAPJLPOQOVGR-KRWDZBQOSA-N 1 0 290.382 2.626 40 0 CFABRO Cc1cccc(CNc2cc(C3CC3)[nH+]c(NC(C)C)n2)c1 ZINC000329024002 202157524 /nfs/dbraw/zinc/15/75/24/202157524.db2.gz OXWQRLREGQTRQT-UHFFFAOYSA-N 1 0 296.418 2.939 40 0 CFABRO Cc1cc(OC[C@H](O)C[NH2+]C(C)(C)C)ccc1Cl ZINC000000166958 371547079 /nfs/dbraw/zinc/54/70/79/371547079.db2.gz ANNILEBRKQUBEL-LLVKDONJSA-N 1 0 271.788 2.776 40 0 CFABRO Cc1cccc(C)c1NC(=O)NCCC[NH2+]C(C)C ZINC000001854708 371708482 /nfs/dbraw/zinc/70/84/82/371708482.db2.gz WHJSFPCTWYLZRC-UHFFFAOYSA-N 1 0 263.385 2.813 40 0 in-man CFABRO CC[NH+](CC)CCCN1CCN(c2ccccc2)CC1 ZINC000002022106 371714048 /nfs/dbraw/zinc/71/40/48/371714048.db2.gz NLJPTKGVXAQZAN-UHFFFAOYSA-N 1 0 275.440 2.541 40 0 CFABRO C[NH2+][C@H](Cc1ccccc1)c1ccc(O)c(OC)c1 ZINC000002048242 371714683 /nfs/dbraw/zinc/71/46/83/371714683.db2.gz HGYZNHBEEFWGHX-CQSZACIVSA-N 1 0 257.333 2.904 40 0 CFABRO C[NH+](C)CC[C@H](C(=O)c1ccccc1)c1ccccn1 ZINC000002045644 371715149 /nfs/dbraw/zinc/71/51/49/371715149.db2.gz XXLOJSFLUAOJBP-HNNXBMFYSA-N 1 0 268.360 3.000 40 0 CFABRO O=C(c1ccc(C(F)(F)F)cc1)C1CC[NH2+]CC1 ZINC000002526439 371733421 /nfs/dbraw/zinc/73/34/21/371733421.db2.gz IZNSIDSQTFZSQP-UHFFFAOYSA-N 1 0 257.255 2.888 40 0 CFABRO CC[C@@](O)(C[NH+]1CCCCC1)[C@@H]1Cc2ccccc2O1 ZINC000001595106 371685054 /nfs/dbraw/zinc/68/50/54/371685054.db2.gz HMQBGFVTOYGQJN-DLBZAZTESA-N 1 0 275.392 2.617 40 0 CFABRO CCNC(=O)C1CC[NH+](Cc2c[nH]c3ccccc23)CC1 ZINC000001668200 371693654 /nfs/dbraw/zinc/69/36/54/371693654.db2.gz QNJNQRPOBNLFHP-UHFFFAOYSA-N 1 0 285.391 2.516 40 0 CFABRO Cc1cccc(Cl)c1NC(=O)C[NH2+]C(C)(C)C ZINC000001671754 371694804 /nfs/dbraw/zinc/69/48/04/371694804.db2.gz FUMLJCDXXMQKGI-UHFFFAOYSA-N 1 0 254.761 2.975 40 0 CFABRO O[C@@H]1CCC[C@@H]1[NH2+]Cc1ccnc2cc(Cl)ccc12 ZINC000001672338 371695483 /nfs/dbraw/zinc/69/54/83/371695483.db2.gz ZUCPGPIGZFLXJY-DZGCQCFKSA-N 1 0 276.767 2.891 40 0 CFABRO CC[NH+](CC)CCNc1ccc(OC)c2cccnc12 ZINC000001686965 371698657 /nfs/dbraw/zinc/69/86/57/371698657.db2.gz WCRSVHSCXVRELD-UHFFFAOYSA-N 1 0 273.380 2.997 40 0 CFABRO O=C(Cn1ccc[n+]1Cc1ccccc1)c1ccccc1 ZINC000001718937 371701894 /nfs/dbraw/zinc/70/18/94/371701894.db2.gz KBDQIBHJIAXHCQ-UHFFFAOYSA-N 1 0 277.347 2.707 40 0 CFABRO Cc1cccc(OC[C@H](O)C[N@H+]2CCCC[C@H]2C)c1 ZINC000002696080 371746706 /nfs/dbraw/zinc/74/67/06/371746706.db2.gz RQGZRNBQLOZLAS-HUUCEWRRSA-N 1 0 263.381 2.609 40 0 CFABRO CC[C@@H](C)[NH2+]C[C@@H](O)COc1ccccc1C(C)C ZINC000002694334 371746716 /nfs/dbraw/zinc/74/67/16/371746716.db2.gz UKVCHQPKNJYQJM-ZIAGYGMSSA-N 1 0 265.397 2.938 40 0 CFABRO COc1ccc([C@H]2[NH2+]CC[C@]3(O)CCCC[C@H]23)cc1 ZINC000002801195 371755414 /nfs/dbraw/zinc/75/54/14/371755414.db2.gz PCTOTSPQXJTUKT-BZUAXINKSA-N 1 0 261.365 2.651 40 0 CFABRO CC(C)[NH2+]C[C@H](O)COc1ccc2c(c1)CCCCS2 ZINC000003604684 371811735 /nfs/dbraw/zinc/81/17/35/371811735.db2.gz HJXXJXTUZFCFEJ-AWEZNQCLSA-N 1 0 295.448 2.853 40 0 CFABRO COc1ccc(C[NH+](C)C)c([C@@H](O)c2ccccc2)c1 ZINC000005599727 371884887 /nfs/dbraw/zinc/88/48/87/371884887.db2.gz SGQKKIQRNPIHQV-KRWDZBQOSA-N 1 0 271.360 2.839 40 0 CFABRO O[C@@H](C[NH2+]Cc1ccco1)COc1ccc2ccccc2c1 ZINC000004393850 371855250 /nfs/dbraw/zinc/85/52/50/371855250.db2.gz ONLCCCNLNUIMPR-INIZCTEOSA-N 1 0 297.354 2.962 40 0 CFABRO C[NH+](C)CCNC(=O)/C=C/c1ccc(C(C)(C)C)cc1 ZINC000013670800 372039049 /nfs/dbraw/zinc/03/90/49/372039049.db2.gz IGGSYRFRBDUGPB-DHZHZOJOSA-N 1 0 274.408 2.675 40 0 CFABRO O=C(/C=C/c1ccc(F)cc1)NCCC[NH+]1CCCCC1 ZINC000013668949 372039908 /nfs/dbraw/zinc/03/99/08/372039908.db2.gz CEKOXCNMLZXSIX-JXMROGBWSA-N 1 0 290.382 2.831 40 0 CFABRO O=c1[nH]c2ccccc2cc1C[NH2+]CCc1ccc(F)cc1 ZINC000013998884 372056608 /nfs/dbraw/zinc/05/66/08/372056608.db2.gz JUMPUSCPVPTVDR-UHFFFAOYSA-N 1 0 296.345 3.000 40 0 CFABRO CNC(=O)c1cc(/C=C\c2c[nH]c3ccccc23)c[n+](C)c1 ZINC000017426327 372133735 /nfs/dbraw/zinc/13/37/35/372133735.db2.gz JCKLVNMKTCAUOJ-FPLPWBNLSA-O 1 0 292.362 2.522 40 0 CFABRO c1cncc(-c2nccc(C[NH+]3CCCCC3)n2)c1 ZINC000019341323 372155686 /nfs/dbraw/zinc/15/56/86/372155686.db2.gz SRHXGSYIDIUNJN-UHFFFAOYSA-N 1 0 254.337 2.525 40 0 CFABRO Nc1ncc(C[NH2+]C2(c3ccccc3F)CCCC2)cn1 ZINC000019347956 372156515 /nfs/dbraw/zinc/15/65/15/372156515.db2.gz KSDOIVLSYORFIG-UHFFFAOYSA-N 1 0 286.354 2.757 40 0 CFABRO CN(C)CC[NH2+][C@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000019367682 372157942 /nfs/dbraw/zinc/15/79/42/372157942.db2.gz YKMZEBJFTJPMGZ-QZTJIDSGSA-N 1 0 284.403 2.613 40 0 CFABRO Cc1cc(NC(=O)C2CC[NH2+]CC2)ccc1Br ZINC000019408609 372159827 /nfs/dbraw/zinc/15/98/27/372159827.db2.gz ZDPBHAYWWATVEI-UHFFFAOYSA-N 1 0 297.196 2.696 40 0 CFABRO O=C(Nc1ccc(Cl)cc1Cl)C1CC[NH2+]CC1 ZINC000019411062 372160090 /nfs/dbraw/zinc/16/00/90/372160090.db2.gz AVFMDQULVXVZPQ-UHFFFAOYSA-N 1 0 273.163 2.932 40 0 CFABRO CCCCn1cc(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)c(C)n1 ZINC000019502432 372170206 /nfs/dbraw/zinc/17/02/06/372170206.db2.gz GBYWSATZDFKLEJ-RHSMWYFYSA-N 1 0 290.455 2.660 40 0 CFABRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C/C=C/c1ccccc1 ZINC000019575682 372175709 /nfs/dbraw/zinc/17/57/09/372175709.db2.gz XTHKJRGQETUNNC-MUMZPTDHSA-N 1 0 256.393 2.868 40 0 CFABRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc2ncccc2c1 ZINC000019575128 372175808 /nfs/dbraw/zinc/17/58/08/372175808.db2.gz RYKPYFFVIMSEPR-RHSMWYFYSA-N 1 0 281.403 2.903 40 0 CFABRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc2ncccc2c1 ZINC000019575130 372176994 /nfs/dbraw/zinc/17/69/94/372176994.db2.gz RYKPYFFVIMSEPR-PBHICJAKSA-N 1 0 281.403 2.903 40 0 CFABRO CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCC[NH+](C)C ZINC000020039294 372221047 /nfs/dbraw/zinc/22/10/47/372221047.db2.gz LGMCSTARBGOMRK-CQSZACIVSA-N 1 0 298.814 2.565 40 0 CFABRO Cc1ccccc1[C@@H]([NH3+])CNC(=O)OC(C)(C)C ZINC000019796160 372190052 /nfs/dbraw/zinc/19/00/52/372190052.db2.gz DOJDUUSAAOLWAQ-LBPRGKRZSA-N 1 0 250.342 2.520 40 0 CFABRO C[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccccc1Cl ZINC000026919741 372331607 /nfs/dbraw/zinc/33/16/07/372331607.db2.gz UKYJCOVBHITCED-CHWSQXEVSA-N 1 0 283.799 2.954 40 0 CFABRO COc1ccc2c(c1)[C@]13CC[N@H+](C)[C@H](C2)[C@@H]1[C@@H](C)CC(=O)C3 ZINC000029477726 372381708 /nfs/dbraw/zinc/38/17/08/372381708.db2.gz FVZCKWRBLLZDHV-JHQYFNNDSA-N 1 0 299.414 2.808 40 0 biogenic,in-vitro CFABRO CCc1ccccc1NC(=O)COc1cccc(C[NH3+])c1 ZINC000036720744 372586865 /nfs/dbraw/zinc/58/68/65/372586865.db2.gz BGXTYQGHFDXIIX-UHFFFAOYSA-N 1 0 284.359 2.725 40 0 CFABRO [NH3+][C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2)C1 ZINC000041027968 372804932 /nfs/dbraw/zinc/80/49/32/372804932.db2.gz BYDYBGYPCVRCEZ-LBPRGKRZSA-N 1 0 259.180 2.917 40 0 CFABRO C[C@H](C[NH2+]Cc1ccc(F)cc1)C(=O)OC(C)(C)C ZINC000047219079 373084797 /nfs/dbraw/zinc/08/47/97/373084797.db2.gz BNLNLNGWCVGSSX-LLVKDONJSA-N 1 0 267.344 2.893 40 0 CFABRO C[C@@H](C[NH2+]CCc1ccccc1)C(=O)OC(C)(C)C ZINC000047219036 373084825 /nfs/dbraw/zinc/08/48/25/373084825.db2.gz LLQALGREUYTJBS-ZDUSSCGKSA-N 1 0 263.381 2.797 40 0 CFABRO C[C@@H](C[NH2+]CCc1ccc(F)cc1)C(=O)OC(C)(C)C ZINC000047219122 373085352 /nfs/dbraw/zinc/08/53/52/373085352.db2.gz IZLVAJMHLNCLQN-LBPRGKRZSA-N 1 0 281.371 2.936 40 0 CFABRO c1ccc2oc([C@H]3CC[N@@H+](C4CCOCC4)C3)nc2c1 ZINC000049168887 373273443 /nfs/dbraw/zinc/27/34/43/373273443.db2.gz WPHHRUXEGGWJLY-LBPRGKRZSA-N 1 0 272.348 2.796 40 0 biogenic,in-vitro CFABRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)OCc1ccccc1 ZINC000060056025 373688277 /nfs/dbraw/zinc/68/82/77/373688277.db2.gz QEUZNHUJODFJRI-CABCVRRESA-N 1 0 276.380 2.786 40 0 CFABRO N[C@H](c1ccc(F)c(F)c1)[C@H]([NH3+])c1ccc(F)c(F)c1 ZINC000067794694 374001554 /nfs/dbraw/zinc/00/15/54/374001554.db2.gz JAHUVZNVYIGQKH-ZIAGYGMSSA-N 1 0 284.256 2.943 40 0 CFABRO FC(F)(F)c1cc(CN2CC[NH2+]CC2)ccc1Cl ZINC000067799203 374005095 /nfs/dbraw/zinc/00/50/95/374005095.db2.gz VSZVCUYLFITCIF-UHFFFAOYSA-N 1 0 278.705 2.764 40 0 CFABRO COCc1cc(C[C@@H]2C[C@H]([NH2+]C3CCC3)C2(C)C)no1 ZINC000067889875 374013858 /nfs/dbraw/zinc/01/38/58/374013858.db2.gz AOZHEDSZWOGHIW-ABAIWWIYSA-N 1 0 278.396 2.920 40 0 biogenic,in-vitro CFABRO Cc1cc(N2CC[NH2+]CC2)nc(-c2cccc(Cl)c2)n1 ZINC000070451656 374177222 /nfs/dbraw/zinc/17/72/22/374177222.db2.gz DNYKVAHJDNSUNL-UHFFFAOYSA-N 1 0 288.782 2.515 40 0 CFABRO Cc1ccc(C)c([C@@H](C)NC(=O)C2CC[NH+](C)CC2)c1 ZINC000072812991 374289818 /nfs/dbraw/zinc/28/98/18/374289818.db2.gz XXPLZRNSWDQDGQ-CQSZACIVSA-N 1 0 274.408 2.822 40 0 CFABRO CC(=O)c1cccc(NC(=O)CC2CC[NH+](C)CC2)c1 ZINC000074921030 374446715 /nfs/dbraw/zinc/44/67/15/374446715.db2.gz DJNYWWPLYQCLCU-UHFFFAOYSA-N 1 0 274.364 2.560 40 0 CFABRO C[C@H](NC(=O)CC1CC[NH+](C)CC1)c1ccccc1 ZINC000074920911 374446768 /nfs/dbraw/zinc/44/67/68/374446768.db2.gz FRMPCDRPTUVJCH-ZDUSSCGKSA-N 1 0 260.381 2.596 40 0 CFABRO O=C(Cc1cccc(Cl)c1)NCCC[NH+]1CCCCC1 ZINC000075629774 374495899 /nfs/dbraw/zinc/49/58/99/374495899.db2.gz KVIYEJNXGHWUCF-UHFFFAOYSA-N 1 0 294.826 2.875 40 0 CFABRO Cc1ccc(C)c(CC(=O)NCCC2CC[NH+](C)CC2)c1 ZINC000076206395 374542334 /nfs/dbraw/zinc/54/23/34/374542334.db2.gz CTUVSMMJSJPPFA-UHFFFAOYSA-N 1 0 288.435 2.694 40 0 CFABRO CCSc1ccc(C2(O)CC[NH+](C)CC2)cc1 ZINC000079030419 374584560 /nfs/dbraw/zinc/58/45/60/374584560.db2.gz ADZSTXBXYRLNBA-UHFFFAOYSA-N 1 0 251.395 2.712 40 0 CFABRO CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H](C)[NH3+] ZINC000079420956 374610708 /nfs/dbraw/zinc/61/07/08/374610708.db2.gz NQZRIFUTUOHQNI-JTQLQIEISA-N 1 0 288.313 2.790 40 0 CFABRO CC(C)N(Cc1ccc(Br)cc1)C(=O)[C@H](C)[NH3+] ZINC000079420569 374610751 /nfs/dbraw/zinc/61/07/51/374610751.db2.gz YVBCTIXEVBLXAS-JTQLQIEISA-N 1 0 299.212 2.533 40 0 CFABRO CC(C)N(C[C@@H]1CCCC[NH2+]1)C(=O)OC(C)(C)C ZINC000079437653 374611731 /nfs/dbraw/zinc/61/17/31/374611731.db2.gz GKIQLOHRVDIZMK-LBPRGKRZSA-N 1 0 256.390 2.774 40 0 CFABRO O=C(OCc1ccccc1)N1CCC(C[NH2+]C2CC2)CC1 ZINC000079437294 374611806 /nfs/dbraw/zinc/61/18/06/374611806.db2.gz KFOIFRFPHCAQAT-UHFFFAOYSA-N 1 0 288.391 2.787 40 0 CFABRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccn1 ZINC000079439708 374612235 /nfs/dbraw/zinc/61/22/35/374612235.db2.gz SHSRBPGOGUWTTM-CHWSQXEVSA-N 1 0 291.395 2.742 40 0 CFABRO O=C(OCc1ccccc1)N1CCC[C@@H]1C[NH2+]C1CC1 ZINC000079437266 374612460 /nfs/dbraw/zinc/61/24/60/374612460.db2.gz MPSUFNGZAGGTIN-OAHLLOKOSA-N 1 0 274.364 2.540 40 0 CFABRO Cc1ccc([C@@H](C)[NH2+]CC[C@@H](C)[S@](C)=O)s1 ZINC000090515896 375017300 /nfs/dbraw/zinc/01/73/00/375017300.db2.gz RKHYJZHXIBQOFN-GLKRBJQHSA-N 1 0 259.440 2.864 40 0 CFABRO CN1C(=O)C2(CC[NH+](CC3CC3)CC2)[C@@H]1c1ccccc1 ZINC000096100257 375468495 /nfs/dbraw/zinc/46/84/95/375468495.db2.gz IRCUNGPONQKDCP-INIZCTEOSA-N 1 0 284.403 2.692 40 0 CFABRO CC(C)[N@H+](C)Cc1cnc2n1CCN(CC1CC1)[C@H]2C ZINC000096061999 375468675 /nfs/dbraw/zinc/46/86/75/375468675.db2.gz UEZLQMJQLAZMKW-ZDUSSCGKSA-N 1 0 276.428 2.510 40 0 CFABRO CC(C)[N@H+](C)Cc1cncc2c1CCN(c1ccccn1)C2 ZINC000096067402 375469125 /nfs/dbraw/zinc/46/91/25/375469125.db2.gz KORDPPRDNVVZDF-UHFFFAOYSA-N 1 0 296.418 2.880 40 0 CFABRO CCCOc1c(C)cc(-c2noc(CC[NH3+])n2)cc1C ZINC000095095361 375413285 /nfs/dbraw/zinc/41/32/85/375413285.db2.gz AHSQYDCQPCCVFX-UHFFFAOYSA-N 1 0 275.352 2.643 40 0 CFABRO CC(C)COC1CC2(C1)CC[NH+](Cc1nccn1C)CC2 ZINC000096159304 375471480 /nfs/dbraw/zinc/47/14/80/375471480.db2.gz YVESYCVNMNWWSO-UHFFFAOYSA-N 1 0 291.439 2.837 40 0 CFABRO O=C1C[C@H]2[C@@H](CC[N@@H+]2Cc2ccsc2)N1c1cccnc1 ZINC000096184088 375474442 /nfs/dbraw/zinc/47/44/42/375474442.db2.gz SSGMXSYYQVFPNS-CABCVRRESA-N 1 0 299.399 2.523 40 0 CFABRO Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3Cc2ccncc2)o1 ZINC000096184670 375475140 /nfs/dbraw/zinc/47/51/40/375475140.db2.gz OSPRPNKBCXTZJW-MSOLQXFVSA-N 1 0 297.402 2.832 40 0 CFABRO O=C1C[C@H](c2ccccc2)C2(CC[NH+](CC3CC3)CC2)N1 ZINC000096199626 375476651 /nfs/dbraw/zinc/47/66/51/375476651.db2.gz GFAYCZCMZYJHMZ-MRXNPFEDSA-N 1 0 284.403 2.535 40 0 CFABRO c1coc(C[NH+]2CCC3(C[C@H](OCC4CC4)CO3)CC2)c1 ZINC000096206315 375477519 /nfs/dbraw/zinc/47/75/19/375477519.db2.gz WDJLKGVIDAMMRJ-INIZCTEOSA-N 1 0 291.391 2.830 40 0 CFABRO CCO[C@@H]1CC[N@H+](Cc2ccoc2)[C@@H]1Cc1cccnc1 ZINC000096200495 375478116 /nfs/dbraw/zinc/47/81/16/375478116.db2.gz YCTPYIBKBBJYBT-IAGOWNOFSA-N 1 0 286.375 2.897 40 0 CFABRO c1coc(C[N@@H+]2CC[C@@]3(C2)CCCN(c2ncccn2)C3)c1 ZINC000096216835 375480407 /nfs/dbraw/zinc/48/04/07/375480407.db2.gz WDKXITFEYSMOQV-QGZVFWFLSA-N 1 0 298.390 2.562 40 0 CFABRO Cc1c(C[NH2+]CCCOC(C)C)cnn1C(C)C ZINC000256053730 190005136 /nfs/dbraw/zinc/00/51/36/190005136.db2.gz SPIOKEIXTQUSJA-UHFFFAOYSA-N 1 0 253.390 2.677 40 0 CFABRO FC(F)(F)Cn1cc(C[NH2+]CCc2ccccc2)cn1 ZINC000256050050 190002839 /nfs/dbraw/zinc/00/28/39/190002839.db2.gz CLFOHCOKTRZIFD-UHFFFAOYSA-N 1 0 283.297 2.778 40 0 CFABRO Cn1ncc(C[NH2+]Cc2ccc(F)cc2)c1C(F)(F)F ZINC000256051925 190003785 /nfs/dbraw/zinc/00/37/85/190003785.db2.gz LCJBTTZLBLBVHH-UHFFFAOYSA-N 1 0 287.260 2.868 40 0 CFABRO CCn1cc(C[NH2+]Cc2cnn(C(C)C)c2C)c(C)n1 ZINC000256052772 190004040 /nfs/dbraw/zinc/00/40/40/190004040.db2.gz OPRRUFXUWWCDOV-UHFFFAOYSA-N 1 0 275.400 2.587 40 0 CFABRO FC(F)(F)Cn1ccc(C[NH2+]CCc2ccccc2)n1 ZINC000256052536 190004245 /nfs/dbraw/zinc/00/42/45/190004245.db2.gz NSPPVADEAOFTFJ-UHFFFAOYSA-N 1 0 283.297 2.778 40 0 CFABRO COc1ccc(C[NH2+]Cc2ccnn2C(C)C)cc1 ZINC000256054683 190005631 /nfs/dbraw/zinc/00/56/31/190005631.db2.gz XIRVYIBAZQBULX-UHFFFAOYSA-N 1 0 259.353 2.762 40 0 CFABRO Cc1c[nH]c([C@H]2CCC[N@H+](CCC(F)(F)F)C2)n1 ZINC000257200722 190011051 /nfs/dbraw/zinc/01/10/51/190011051.db2.gz AEQOABXQWRHISK-JTQLQIEISA-N 1 0 261.291 2.850 40 0 CFABRO CCCn1cc(C[N@@H+]2CCC[C@@H](c3ccnc(C)n3)C2)cn1 ZINC000257232766 190017120 /nfs/dbraw/zinc/01/71/20/190017120.db2.gz GMICZUMVTBAYPJ-MRXNPFEDSA-N 1 0 299.422 2.771 40 0 CFABRO Cc1n[nH]cc1-c1cnc(C[C@@H]2CCC[N@@H+](C(C)C)C2)cn1 ZINC000257223567 190014709 /nfs/dbraw/zinc/01/47/09/190014709.db2.gz DXYJNBPSXGIKHN-AWEZNQCLSA-N 1 0 299.422 2.838 40 0 CFABRO CC(C)c1nccn1-c1ccnc([C@@H]2CCC[NH2+]C2)c1 ZINC000257236425 190017980 /nfs/dbraw/zinc/01/79/80/190017980.db2.gz HCDDEJNDSYZAKL-CYBMUJFWSA-N 1 0 270.380 2.858 40 0 CFABRO CCCCc1ncc(C[N@@H+]2CC[C@H](c3nc(C)c[nH]3)C2)[nH]1 ZINC000257252083 190020238 /nfs/dbraw/zinc/02/02/38/190020238.db2.gz JTMMAZWQWSKAQM-ZDUSSCGKSA-N 1 0 287.411 2.773 40 0 CFABRO Cc1cc(Nc2nccs2)nc([C@H]2CCCC[NH2+]2)n1 ZINC000257265517 190023025 /nfs/dbraw/zinc/02/30/25/190023025.db2.gz LYYXMUMHJZLEMB-SNVBAGLBSA-N 1 0 275.381 2.800 40 0 CFABRO CNc1cc([C@@H]2CCC[N@@H+]2Cc2cccnc2NC)ccn1 ZINC000257266250 190023247 /nfs/dbraw/zinc/02/32/47/190023247.db2.gz MCDRJPFZHCIKLR-HNNXBMFYSA-N 1 0 297.406 2.897 40 0 CFABRO c1cc([C@@H]2CC[N@@H+](CC3=Cc4ccccc4OC3)C2)n[nH]1 ZINC000257260565 190022323 /nfs/dbraw/zinc/02/23/23/190022323.db2.gz LDKCYBNISURFQB-OAHLLOKOSA-N 1 0 281.359 2.675 40 0 CFABRO OCc1ccc(-c2cc(CC[C@H]3CCCC[NH2+]3)ncn2)cc1 ZINC000257280259 190025342 /nfs/dbraw/zinc/02/53/42/190025342.db2.gz OKEQDMORLKIXDK-MRXNPFEDSA-N 1 0 297.402 2.711 40 0 CFABRO Cc1ccc(C[C@@H]2CCC[N@@H+](C3CCN(C)CC3)C2)cn1 ZINC000257280681 190025545 /nfs/dbraw/zinc/02/55/45/190025545.db2.gz OLWWDSCGWSZKIK-KRWDZBQOSA-N 1 0 287.451 2.739 40 0 CFABRO CN(C)c1cc([C@H]2CCC[N@H+](Cc3ccccn3)C2)ccn1 ZINC000257278364 190025879 /nfs/dbraw/zinc/02/58/79/190025879.db2.gz OBYRUEORQBNDNK-INIZCTEOSA-N 1 0 296.418 2.922 40 0 CFABRO c1cc(NC2CC3(C2)CC[N@@H+](CC2CCC2)C3)ncn1 ZINC000257281230 190026393 /nfs/dbraw/zinc/02/63/93/190026393.db2.gz OOFMBQSRLOEYOG-UHFFFAOYSA-N 1 0 272.396 2.543 40 0 CFABRO c1[nH]nc2nc([C@H]3CCC[N@@H+](CC4CC4)C3)ccc12 ZINC000257276044 190024640 /nfs/dbraw/zinc/02/46/40/190024640.db2.gz NSDLEIBAMGXMDJ-ZDUSSCGKSA-N 1 0 256.353 2.547 40 0 CFABRO C[NH+]1CCC2(CO[C@@H](Cc3cccc(F)c3)C2)CC1 ZINC000257311183 190031756 /nfs/dbraw/zinc/03/17/56/190031756.db2.gz UIHWIOAUESFHRG-HNNXBMFYSA-N 1 0 263.356 2.869 40 0 CFABRO Cc1ncsc1C[N@@H+]1CCC[C@H](Cc2cc[nH]n2)C1 ZINC000257296896 190028324 /nfs/dbraw/zinc/02/83/24/190028324.db2.gz REWUFBULRWJFAF-GFCCVEGCSA-N 1 0 276.409 2.629 40 0 CFABRO CC(C)[N@@H+]1CCC[C@@H](Cc2nccnc2-c2ccnn2C)C1 ZINC000257293690 190028502 /nfs/dbraw/zinc/02/85/02/190028502.db2.gz QQSSCJWYLBUGAC-AWEZNQCLSA-N 1 0 299.422 2.540 40 0 CFABRO Cc1c[nH]c([C@@H]2CCC[N@H+](CC3(O)CCCCC3)C2)n1 ZINC000257299630 190029892 /nfs/dbraw/zinc/02/98/92/190029892.db2.gz RQVPDVWDQITBQK-CQSZACIVSA-N 1 0 277.412 2.593 40 0 CFABRO c1ccc(CC[N@@H+]2CCC[C@H](c3ccncn3)C2)cc1 ZINC000257302387 190030432 /nfs/dbraw/zinc/03/04/32/190030432.db2.gz SCSPBNJZVHWPLS-INIZCTEOSA-N 1 0 267.376 2.899 40 0 CFABRO Cc1c[nH]nc1C[C@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000257304344 190030552 /nfs/dbraw/zinc/03/05/52/190030552.db2.gz SLEHMXAMPLHXOZ-CQSZACIVSA-N 1 0 270.380 2.568 40 0 CFABRO CCOCC[N@@H+]1CCC[C@@H](Cc2cccc(C)n2)C1 ZINC000257333759 190035844 /nfs/dbraw/zinc/03/58/44/190035844.db2.gz YCXYJYZQIKFTNZ-HNNXBMFYSA-N 1 0 262.397 2.681 40 0 CFABRO CCCn1nccc1-c1cc([C@@H]2CCC[N@@H+]2C)nc(C)n1 ZINC000257332295 190035925 /nfs/dbraw/zinc/03/59/25/190035925.db2.gz XWQSELRXPYMEME-HNNXBMFYSA-N 1 0 285.395 2.825 40 0 CFABRO c1nc2ccccc2n1-c1cccc(C[C@@H]2CCC[NH2+]C2)n1 ZINC000257335809 190036047 /nfs/dbraw/zinc/03/60/47/190036047.db2.gz YLZQNTIYCAWCIP-AWEZNQCLSA-N 1 0 292.386 2.963 40 0 CFABRO CCn1nccc1-c1cnc([C@@H]2CCC[N@@H+]2C(C)C)cn1 ZINC000257334475 190036267 /nfs/dbraw/zinc/03/62/67/190036267.db2.gz YGBLIMPEFMSUJM-HNNXBMFYSA-N 1 0 285.395 2.905 40 0 CFABRO CNc1cc([C@@H]2CCC[N@H+](Cc3cccn3C)C2)ccn1 ZINC000257334331 190036533 /nfs/dbraw/zinc/03/65/33/190036533.db2.gz YFLHQZYNWZQHKI-OAHLLOKOSA-N 1 0 284.407 2.841 40 0 CFABRO c1cc([C@@H]2CC[N@@H+](Cc3ccc4cc[nH]c4c3)C2)n[nH]1 ZINC000257339865 190037037 /nfs/dbraw/zinc/03/70/37/190037037.db2.gz ZDNBPOHZXKCCJF-CQSZACIVSA-N 1 0 266.348 2.881 40 0 CFABRO C[N@@H+]1CCN(CCC(F)(F)F)C[C@H]1c1ccccc1 ZINC000257341918 190037142 /nfs/dbraw/zinc/03/71/42/190037142.db2.gz ZMLFEKCQVYURQN-ZDUSSCGKSA-N 1 0 272.314 2.928 40 0 CFABRO c1cc(CC[C@H]2CCC[N@@H+]2CC2CCOCC2)ccn1 ZINC000257344448 190037890 /nfs/dbraw/zinc/03/78/90/190037890.db2.gz ZXFNVNYFCXSZBB-QGZVFWFLSA-N 1 0 274.408 2.905 40 0 CFABRO CCSc1ccccc1C(=O)NC1CC[NH+](C)CC1 ZINC000113958570 376045196 /nfs/dbraw/zinc/04/51/96/376045196.db2.gz ZFIZUQVIFGUZHA-UHFFFAOYSA-N 1 0 278.421 2.623 40 0 CFABRO CC[C@H](NC(=O)C1CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000174502365 379899349 /nfs/dbraw/zinc/89/93/49/379899349.db2.gz AYBSJEYBODMEHN-INIZCTEOSA-N 1 0 290.407 2.604 40 0 CFABRO Cc1cccc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2ccccn2)n1 ZINC000306140902 382453061 /nfs/dbraw/zinc/45/30/61/382453061.db2.gz VGMMNRHFPGMNPO-DLBZAZTESA-N 1 0 294.402 2.638 40 0 CFABRO Cc1noc(C)c1CN1CC[C@H]2[C@@H]1CC[N@H+]2CC(C)C ZINC000306139393 382453107 /nfs/dbraw/zinc/45/31/07/382453107.db2.gz SWBJLSRZBJILMZ-HOTGVXAUSA-N 1 0 277.412 2.596 40 0 CFABRO C[NH+]1CCC2(Cc3ncc(-c4ccccc4)n3C2)CC1 ZINC000306137908 382453164 /nfs/dbraw/zinc/45/31/64/382453164.db2.gz RJVASKUIYNHUAM-UHFFFAOYSA-N 1 0 267.376 2.818 40 0 CFABRO CC(C)(C)OC(=O)Nc1ccc2c(c1)OC[C@@]21CC[NH2+]1 ZINC000306145877 382453401 /nfs/dbraw/zinc/45/34/01/382453401.db2.gz UMRFKRRNWFFJEV-HNNXBMFYSA-N 1 0 276.336 2.615 40 0 CFABRO CC(C)(C)OC(=O)Nc1ccc2c(c1)OC[C@]21CC[NH2+]1 ZINC000306145878 382453498 /nfs/dbraw/zinc/45/34/98/382453498.db2.gz UMRFKRRNWFFJEV-OAHLLOKOSA-N 1 0 276.336 2.615 40 0 CFABRO Cc1c(-c2cccc(Br)c2)[nH+]c(N)n1C ZINC000199560163 382772014 /nfs/dbraw/zinc/77/20/14/382772014.db2.gz HCGBPFDAALGTRR-UHFFFAOYSA-N 1 0 266.142 2.740 40 0 CFABRO Clc1ccc(-c2ccc3nnc([C@@H]4CC[NH2+]C4)n3n2)cc1 ZINC000217558410 382786901 /nfs/dbraw/zinc/78/69/01/382786901.db2.gz OPTOEWDAGWYLCC-LLVKDONJSA-N 1 0 299.765 2.522 40 0 CFABRO Cc1ccc(Cl)c(NC(=O)C2CC[NH2+]CC2)c1 ZINC000228845226 382849369 /nfs/dbraw/zinc/84/93/69/382849369.db2.gz PSFZXPPDBFWVFW-UHFFFAOYSA-N 1 0 252.745 2.587 40 0 CFABRO COCCC[NH2+]Cc1cccn1-c1cccc(OC)c1 ZINC000223688699 382806096 /nfs/dbraw/zinc/80/60/96/382806096.db2.gz RMUZNIVBNDKRMV-UHFFFAOYSA-N 1 0 274.364 2.612 40 0 CFABRO O=C1OC[C@@H]2CC[N@H+](C3CCC3)Cc3ccc(F)cc3N12 ZINC000225484379 382817096 /nfs/dbraw/zinc/81/70/96/382817096.db2.gz LUSZLRFYTACNGF-AWEZNQCLSA-N 1 0 290.338 2.909 40 0 biogenic,in-vitro CFABRO Fc1ccc(N2CC[NH2+][C@H]3CCCC[C@@H]32)c(F)c1 ZINC000225714207 382820603 /nfs/dbraw/zinc/82/06/03/382820603.db2.gz XYHXXKPSDNNGOA-JSGCOSHPSA-N 1 0 252.308 2.686 40 0 CFABRO Fc1cccnc1O[C@H]1CSC2(C[NH+](C3CCC3)C2)C1 ZINC000247556134 383183479 /nfs/dbraw/zinc/18/34/79/383183479.db2.gz XKYNEQANERQLOM-GFCCVEGCSA-N 1 0 294.395 2.712 40 0 CFABRO C[C@@]1(C[NH3+])CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000253380277 383453045 /nfs/dbraw/zinc/45/30/45/383453045.db2.gz YRYXNWZNKHBXMA-CHWSQXEVSA-N 1 0 272.314 2.646 40 0 CFABRO c1cncc(CO[C@H]2CSC3(C[NH+](CC4CC4)C3)C2)c1 ZINC000253591417 383464314 /nfs/dbraw/zinc/46/43/14/383464314.db2.gz NCDMCQNNRTXSIO-OAHLLOKOSA-N 1 0 290.432 2.568 40 0 CFABRO CC(C)[N@@H+]1CCC[C@H]1c1cccc(N2CCOC2=O)n1 ZINC000257223734 383493180 /nfs/dbraw/zinc/49/31/80/383493180.db2.gz DYQBUGZGCKSWDT-ZDUSSCGKSA-N 1 0 275.352 2.584 40 0 CFABRO Nc1cc(CC[C@@H]2CN(c3ccccc3)CCO2)cc[nH+]1 ZINC000257225661 383493441 /nfs/dbraw/zinc/49/34/41/383493441.db2.gz FHFMODFOHQIYNB-MRXNPFEDSA-N 1 0 283.375 2.502 40 0 CFABRO [NH3+]C[C@@H]1C[C@]12CCc1cc(Br)ccc12 ZINC000127901383 256700796 /nfs/dbraw/zinc/70/07/96/256700796.db2.gz IDGJGLYHLICIBR-JOYOIKCWSA-N 1 0 252.155 2.612 40 0 CFABRO CC(C)(C)OC(=O)Nc1ncccc1[C@H]1CCC[NH2+]1 ZINC000072214361 256711630 /nfs/dbraw/zinc/71/16/30/256711630.db2.gz LHAPFIGNBMMUDG-LLVKDONJSA-N 1 0 263.341 2.853 40 0 CFABRO Cc1cccc(OC[C@@H](O)C[N@H+]2CCCC[C@H]2C)c1 ZINC000245229238 131084095 /nfs/dbraw/zinc/08/40/95/131084095.db2.gz RQGZRNBQLOZLAS-CABCVRRESA-N 1 0 263.381 2.609 40 0 CFABRO COc1ccc(CN[C@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1OC ZINC000012489648 393474027 /nfs/dbraw/zinc/47/40/27/393474027.db2.gz DAGGEUHIWOTDNG-GUTXKFCHSA-N 1 0 292.423 2.522 40 0 CFABRO CCSc1ncc(C[NH2+]Cc2ccccc2)cn1 ZINC000062717278 393627635 /nfs/dbraw/zinc/62/76/35/393627635.db2.gz LQJOTDQVEOYFJO-UHFFFAOYSA-N 1 0 259.378 2.878 40 0 CFABRO CSc1ncc(C[NH2+]CCc2ccccc2F)cn1 ZINC000062717225 393627644 /nfs/dbraw/zinc/62/76/44/393627644.db2.gz RJUNUEJDDGZXBX-UHFFFAOYSA-N 1 0 277.368 2.670 40 0 CFABRO CCOC(=O)C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000072210294 393643738 /nfs/dbraw/zinc/64/37/38/393643738.db2.gz ZYSMYXBRTYPDGX-LBPRGKRZSA-N 1 0 255.745 2.896 40 0 CFABRO CCOC(=O)C[C@H](c1ccccc1Cl)[NH+](C)C ZINC000072210295 393644137 /nfs/dbraw/zinc/64/41/37/393644137.db2.gz ZYSMYXBRTYPDGX-GFCCVEGCSA-N 1 0 255.745 2.896 40 0 CFABRO [NH3+][C@H](c1ccccc1)c1ccc(Br)nc1 ZINC000072225037 393647706 /nfs/dbraw/zinc/64/77/06/393647706.db2.gz TWEWAAAXFOATKI-GFCCVEGCSA-N 1 0 263.138 2.892 40 0 CFABRO CC(C)[NH2+][C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC000079437068 393718443 /nfs/dbraw/zinc/71/84/43/393718443.db2.gz NLOZWKJOKIDHPP-NWDGAFQWSA-N 1 0 256.390 2.820 40 0 CFABRO CCOC(=O)c1ccc(-c2cccc(C[NH3+])c2)cc1 ZINC000095887538 393813305 /nfs/dbraw/zinc/81/33/05/393813305.db2.gz LGZZAHVAHRCHBS-UHFFFAOYSA-N 1 0 255.317 2.989 40 0 CFABRO [NH3+]CCn1nccc1-c1ccc(Cl)c(Cl)c1 ZINC000096527677 393838362 /nfs/dbraw/zinc/83/83/62/393838362.db2.gz IEZFJHSNDSKYRP-UHFFFAOYSA-N 1 0 256.136 2.816 40 0 CFABRO [NH3+]C[C@H]1C[C@]12CCc1cc(Br)ccc12 ZINC000127900905 394058796 /nfs/dbraw/zinc/05/87/96/394058796.db2.gz IDGJGLYHLICIBR-BXKDBHETSA-N 1 0 252.155 2.612 40 0 CFABRO CC[C@H](C)N1C[C@@]2(CCC[N@@H+]([C@@H](C)CC)C2)C1=O ZINC000585099310 395100394 /nfs/dbraw/zinc/10/03/94/395100394.db2.gz CMLCFZXWVNFPCH-YDHLFZDLSA-N 1 0 252.402 2.508 40 0 CFABRO Cc1ccc(C(=O)N2CCC[C@@]3(CCC[N@H+]3C)CC2)o1 ZINC000585100146 395100465 /nfs/dbraw/zinc/10/04/65/395100465.db2.gz GUKDIZGVTDBDOV-INIZCTEOSA-N 1 0 276.380 2.679 40 0 CFABRO COc1cc2c(cc1OC)[C@@H](c1ccccc1N)[NH2+]CC2 ZINC000027105182 286260266 /nfs/dbraw/zinc/26/02/66/286260266.db2.gz JNIAUZSUTVRQIF-QGZVFWFLSA-N 1 0 284.359 2.521 40 0 CFABRO CCOc1cc([C@H]2[NH2+]CC[C@@]3(O)CCCC[C@H]23)ccc1O ZINC000001323205 286556716 /nfs/dbraw/zinc/55/67/16/286556716.db2.gz FJRAFGQYLIQWHC-XYPHTWIQSA-N 1 0 291.391 2.747 40 0 CFABRO CCOc1cc(/C=C/c2cccc[n+]2C)ccc1O ZINC000005002300 170053271 /nfs/dbraw/zinc/05/32/71/170053271.db2.gz VKOPSUULTURNDZ-UHFFFAOYSA-O 1 0 256.325 2.786 40 0 CFABRO CC[C@@]1(c2ccccc2)OC[C@@H]([C@@H]2CCCC[NH2+]2)O1 ZINC000005431897 170098951 /nfs/dbraw/zinc/09/89/51/170098951.db2.gz INOYCBNLWYEPSB-HRCADAONSA-N 1 0 261.365 2.807 40 0 in-man CFABRO CC[NH+](CC)C[C@@H]1CO[C@@H](/C=C/c2ccccc2)O1 ZINC000005453595 170100498 /nfs/dbraw/zinc/10/04/98/170100498.db2.gz WPIFPOQOKPIPPX-NUPWCOBBSA-N 1 0 261.365 2.783 40 0 CFABRO O=C(OC[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccccc1O ZINC000005679257 170127499 /nfs/dbraw/zinc/12/74/99/170127499.db2.gz FPBZOZUALKCMGP-UKRRQHHQSA-N 1 0 289.375 2.814 40 0 biogenic,in-vitro CFABRO C[C@H]1[C@@H](C(=O)NCCc2ccccc2)C[C@H]2CCCC[N@@H+]21 ZINC000005758908 170137359 /nfs/dbraw/zinc/13/73/59/170137359.db2.gz DWHJHICDODTXMK-UAGQMJEPSA-N 1 0 286.419 2.608 40 0 CFABRO C[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1ccccc1Cl ZINC000006455047 170202361 /nfs/dbraw/zinc/20/23/61/170202361.db2.gz UKYJCOVBHITCED-OLZOCXBDSA-N 1 0 283.799 2.954 40 0 CFABRO COc1cc(C=O)ccc1OCC[N@@H+]1CCC[C@@H](C)C1 ZINC000009261302 170369174 /nfs/dbraw/zinc/36/91/74/170369174.db2.gz NVTIZANZXKWMCV-CYBMUJFWSA-N 1 0 277.364 2.618 40 0 CFABRO Cc1ccc(NC(=O)C2CC[NH2+]CC2)c(Cl)c1 ZINC000020471425 171214219 /nfs/dbraw/zinc/21/42/19/171214219.db2.gz MHAMDMDGVRJIDJ-UHFFFAOYSA-N 1 0 252.745 2.587 40 0 CFABRO O=C(OCc1ccccc1)N1CC[NH2+][C@H]2CCCC[C@@H]21 ZINC000022015682 171349667 /nfs/dbraw/zinc/34/96/67/171349667.db2.gz GZTLXXIGRCPQDZ-GJZGRUSLSA-N 1 0 274.364 2.540 40 0 CFABRO CC(C)c1ccccc1O[C@@H](C)C(=O)NCCC[NH+](C)C ZINC000022518611 171389797 /nfs/dbraw/zinc/38/97/97/171389797.db2.gz OYJKYHUFAUGTDL-AWEZNQCLSA-N 1 0 292.423 2.645 40 0 CFABRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccco1 ZINC000024115149 171432593 /nfs/dbraw/zinc/43/25/93/171432593.db2.gz VSBUKKDQXSNIIX-UHFFFAOYSA-N 1 0 284.359 2.805 40 0 CFABRO OCc1ccc(C[N@@H+]2CC[C@H](c3nc4ccccc4[nH]3)C2)o1 ZINC000035446639 172202938 /nfs/dbraw/zinc/20/29/38/172202938.db2.gz NGCBPZRTJIOLNE-LBPRGKRZSA-N 1 0 297.358 2.638 40 0 biogenic,in-vitro CFABRO COc1ccc2cccc(OC[C@@H](O)C[NH2+]C(C)C)c2c1 ZINC000035645047 172322063 /nfs/dbraw/zinc/32/20/63/172322063.db2.gz SHLYYDPCAGPWOZ-AWEZNQCLSA-N 1 0 289.375 2.586 40 0 in-vitro CFABRO OC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000037263098 173073216 /nfs/dbraw/zinc/07/32/16/173073216.db2.gz ZHDSKQDEYFYQBV-MSOLQXFVSA-N 1 0 267.372 2.895 40 0 CFABRO c1ccc2cc(OCCN3CCC[NH2+]CC3)ccc2c1 ZINC000037400108 173177562 /nfs/dbraw/zinc/17/75/62/173177562.db2.gz ZNBYRCGMQXPFGJ-UHFFFAOYSA-N 1 0 270.376 2.514 40 0 CFABRO O[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000038539843 174145322 /nfs/dbraw/zinc/14/53/22/174145322.db2.gz DMSNRIJBUKGIEE-GFCCVEGCSA-N 1 0 259.271 2.662 40 0 CFABRO [NH3+][C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 ZINC000038539942 174145330 /nfs/dbraw/zinc/14/53/30/174145330.db2.gz GKJOBZRJYXGPDW-SECBINFHSA-N 1 0 259.180 2.917 40 0 CFABRO C[NH+](C)CCCNC(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000072111082 176317614 /nfs/dbraw/zinc/31/76/14/176317614.db2.gz ZUPJIBSPIPGJDI-UHFFFAOYSA-N 1 0 296.414 2.964 40 0 CFABRO [NH3+][C@@H]1CCCN(Cc2cc(Cl)ccc2Cl)C1 ZINC000072203562 176341669 /nfs/dbraw/zinc/34/16/69/176341669.db2.gz PPSBCDZUGUGKHP-LLVKDONJSA-N 1 0 259.180 2.917 40 0 CFABRO CCCc1ccc2nc(N3CC[NH2+]CC3)sc2c1 ZINC000072209856 176342794 /nfs/dbraw/zinc/34/27/94/176342794.db2.gz FKKASEHDIKDFNJ-UHFFFAOYSA-N 1 0 261.394 2.658 40 0 CFABRO OCc1cccc(-c2cccc([C@H]3CCC[NH2+]C3)n2)c1 ZINC000072348394 176373300 /nfs/dbraw/zinc/37/33/00/176373300.db2.gz IOQIPTSUUJWDHX-HNNXBMFYSA-N 1 0 268.360 2.708 40 0 CFABRO CC(=O)Nc1cccc(-c2nccnc2[C@@H]2CCC[NH2+]C2)c1 ZINC000072356386 176375826 /nfs/dbraw/zinc/37/58/26/176375826.db2.gz CETRBRQFCKVKGP-CQSZACIVSA-N 1 0 296.374 2.569 40 0 CFABRO c1ccc(CCNc2cnc([C@H]3CCC[NH2+]C3)cn2)cc1 ZINC000072364924 176379882 /nfs/dbraw/zinc/37/98/82/176379882.db2.gz JPLRKCMNQHTTPH-HNNXBMFYSA-N 1 0 282.391 2.598 40 0 CFABRO c1cncc(CNc2cccc(C[C@@H]3CCC[NH2+]C3)n2)c1 ZINC000072364741 176380151 /nfs/dbraw/zinc/38/01/51/176380151.db2.gz YJOVYXAPEBWCMW-AWEZNQCLSA-N 1 0 282.391 2.631 40 0 CFABRO C[N@@H+]1CCCC[C@H]1c1cncc(NCCc2ccccn2)n1 ZINC000072366326 176381299 /nfs/dbraw/zinc/38/12/99/176381299.db2.gz NOVPYBWMLXGTGH-INIZCTEOSA-N 1 0 297.406 2.683 40 0 CFABRO O[C@@H]1CCCC[C@H]1[NH+]1CCC(Cc2nccs2)CC1 ZINC000072367491 176381957 /nfs/dbraw/zinc/38/19/57/176381957.db2.gz HJIPFWJKVQEDOW-ZIAGYGMSSA-N 1 0 280.437 2.701 40 0 CFABRO CNc1ncccc1C[N@@H+]1CC[C@@H](c2nc(C)cc(C)n2)C1 ZINC000072369809 176383886 /nfs/dbraw/zinc/38/38/86/176383886.db2.gz HSDMHYDCUGGUNU-OAHLLOKOSA-N 1 0 297.406 2.520 40 0 CFABRO Cc1ccc(C[N@@H+]2CCC[C@H](c3cncc(C)n3)C2)cn1 ZINC000072369410 176384089 /nfs/dbraw/zinc/38/40/89/176384089.db2.gz KEZXDQMAYCFLMB-INIZCTEOSA-N 1 0 282.391 2.868 40 0 CFABRO Cc1cccc(C[N@@H+]2CC[C@H](c3nc(C)cc(C)n3)C2)n1 ZINC000072369721 176384385 /nfs/dbraw/zinc/38/43/85/176384385.db2.gz QQROMQMKZRNMCF-HNNXBMFYSA-N 1 0 282.391 2.786 40 0 CFABRO c1cn(-c2cncc([C@@H]3CCC[N@H+]3C3CCCC3)n2)cn1 ZINC000072378703 176385660 /nfs/dbraw/zinc/38/56/60/176385660.db2.gz CVTVPAFAFNGKST-HNNXBMFYSA-N 1 0 283.379 2.742 40 0 CFABRO Cc1nc(-c2ccccc2)cc(C2CC[NH2+]CC2)n1 ZINC000072384533 176388563 /nfs/dbraw/zinc/38/85/63/176388563.db2.gz FNYSBSDXPBCVKI-UHFFFAOYSA-N 1 0 253.349 2.919 40 0 CFABRO Cc1ncccc1Oc1nccnc1[C@@H]1CCC[N@@H+](C)C1 ZINC000072383480 176388995 /nfs/dbraw/zinc/38/89/95/176388995.db2.gz MFTJEHROMOEAFV-CYBMUJFWSA-N 1 0 284.363 2.782 40 0 CFABRO c1nc(CC[C@H]2CCC[NH2+]2)cc(N2CCCCCC2)n1 ZINC000072386541 176391989 /nfs/dbraw/zinc/39/19/89/176391989.db2.gz SRWDNBIWSMCUJZ-CQSZACIVSA-N 1 0 274.412 2.542 40 0 CFABRO COc1ccccc1Cc1cnc([C@@H]2CCC[NH2+]2)cn1 ZINC000072386866 176392154 /nfs/dbraw/zinc/39/21/54/176392154.db2.gz CXZPOSXOXOEHFE-AWEZNQCLSA-N 1 0 269.348 2.501 40 0 CFABRO COCC[NH2+][C@@H](C)c1ccn(Cc2ccccc2)c1 ZINC000078406162 177338466 /nfs/dbraw/zinc/33/84/66/177338466.db2.gz OGRGTVAVJABOGA-AWEZNQCLSA-N 1 0 258.365 2.833 40 0 CFABRO C[NH+]1CCC(NC(=O)CSc2ccc(Cl)cc2)CC1 ZINC000078422962 177340302 /nfs/dbraw/zinc/34/03/02/177340302.db2.gz CVNYOSWXEUGFKA-UHFFFAOYSA-N 1 0 298.839 2.643 40 0 CFABRO CSc1ccc(CN(C(=O)[C@@H]([NH3+])C(C)C)C2CC2)cc1 ZINC000079420667 177487864 /nfs/dbraw/zinc/48/78/64/177487864.db2.gz ZOOLRILSYJFOFV-HNNXBMFYSA-N 1 0 292.448 2.883 40 0 CFABRO Brc1cccc([C@H]2CSCC[NH2+]2)c1 ZINC000070587931 275373240 /nfs/dbraw/zinc/37/32/40/275373240.db2.gz YWMWTUQFDMCQBY-SNVBAGLBSA-N 1 0 258.184 2.827 40 0 CFABRO [NH3+]C[C@@H]1COc2c(Br)cc(Cl)cc2C1 ZINC000095743784 274950310 /nfs/dbraw/zinc/95/03/10/274950310.db2.gz MKQLMYGVDFOVDU-ZCFIWIBFSA-N 1 0 276.561 2.612 40 0 CFABRO Brc1ccc2c(c1)[nH]c1c2CC[NH2+]C1 ZINC000013587967 275372438 /nfs/dbraw/zinc/37/24/38/275372438.db2.gz XAHAQVIJZAMMLO-UHFFFAOYSA-N 1 0 251.127 2.576 40 0 in-vivo CFABRO CCc1nc2sc3c(c2c(NCC[NH3+])n1)CC[C@@H](C)C3 ZINC000013998051 276696117 /nfs/dbraw/zinc/69/61/17/276696117.db2.gz FKHTZDLSYRVVRY-SECBINFHSA-N 1 0 290.436 2.749 40 0 CFABRO CN(C)[C@H](C[NH3+])c1ccc(OCc2ccccc2)cc1 ZINC000038809115 276851018 /nfs/dbraw/zinc/85/10/18/276851018.db2.gz YIVRIGOWKLXVHX-QGZVFWFLSA-N 1 0 270.376 2.827 40 0 CFABRO C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cc2)C1 ZINC000082325498 277053146 /nfs/dbraw/zinc/05/31/46/277053146.db2.gz FJAPXYKIFSJQEJ-SNVBAGLBSA-N 1 0 297.196 2.729 40 0 CFABRO CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N(C[NH+]1CCCCCC1)C2=O ZINC000003154161 278430315 /nfs/dbraw/zinc/43/03/15/278430315.db2.gz QUBSWIBVHFEMFE-DYVFJYSZSA-N 1 0 292.423 2.631 40 0 CFABRO C[C@@H]1C[NH2+]CCN1Cc1ccc(F)cc1C(F)(F)F ZINC000067799461 278838237 /nfs/dbraw/zinc/83/82/37/278838237.db2.gz AVLVXSZSOWBSOW-SECBINFHSA-N 1 0 276.277 2.638 40 0 CFABRO CC[N@@H+]1CCOC[C@]2(CCCN(Cc3ccsc3)C2)C1 ZINC000096049589 279382693 /nfs/dbraw/zinc/38/26/93/279382693.db2.gz FYXTXTIEKNVLCG-MRXNPFEDSA-N 1 0 294.464 2.682 40 0 CFABRO O[C@H]1CCCC[C@@H]1[NH+]1CCC(Cc2nccs2)CC1 ZINC000257238037 327127572 /nfs/dbraw/zinc/12/75/72/327127572.db2.gz HJIPFWJKVQEDOW-KBPBESRZSA-N 1 0 280.437 2.701 40 0 CFABRO Fc1ccc(F)c(N2CC[NH2+][C@H]3CCCC[C@H]32)c1 ZINC000218835866 333137004 /nfs/dbraw/zinc/13/70/04/333137004.db2.gz KBKLCCLOIRIZQD-QWHCGFSZSA-N 1 0 252.308 2.686 40 0 CFABRO c1csc(CCN2CC[NH2+][C@H]3CCCC[C@@H]32)c1 ZINC000225712594 333182137 /nfs/dbraw/zinc/18/21/37/333182137.db2.gz CFVCBVTVWWLKNC-KBPBESRZSA-N 1 0 250.411 2.507 40 0 CFABRO CC(C)(C)c1nnc(CC[NH+]2CCCCCC2)[nH]1 ZINC000062719495 519094146 /nfs/dbraw/zinc/09/41/46/519094146.db2.gz NYTYFSRBSDBLCH-UHFFFAOYSA-N 1 0 250.390 2.521 40 0 CFABRO Cc1ccc(CN2CC[NH2+]C[C@H]2c2ccccc2)cn1 ZINC000086177784 524463590 /nfs/dbraw/zinc/46/35/90/524463590.db2.gz WENINCGHPHGZPN-KRWDZBQOSA-N 1 0 267.376 2.537 40 0 CFABRO C[C@@]1(CO)C[N@H+](Cc2ccccc2)C[C@@H]1C(F)(F)F ZINC000228905389 525855591 /nfs/dbraw/zinc/85/55/91/525855591.db2.gz NEPDTEDKCCEHIC-STQMWFEESA-N 1 0 273.298 2.679 40 0 CFABRO Cc1nn(C)c(C)c1C[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000157024551 230394919 /nfs/dbraw/zinc/39/49/19/230394919.db2.gz HMVNNHOSNVXVEI-ZDUSSCGKSA-N 1 0 290.436 2.873 40 0 CFABRO [NH3+][C@@H](Cc1ccccc1)c1nc(COc2ccccc2)n[nH]1 ZINC000095534824 185008059 /nfs/dbraw/zinc/00/80/59/185008059.db2.gz JXUNOUMUESNONX-HNNXBMFYSA-N 1 0 294.358 2.626 40 0 CFABRO CCOc1cc(-c2nnc([C@H]([NH3+])C(C)C)[nH]2)ccc1OC ZINC000095534808 185008251 /nfs/dbraw/zinc/00/82/51/185008251.db2.gz WVZVVEIPFWMZOR-CYBMUJFWSA-N 1 0 290.367 2.535 40 0 CFABRO CCc1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)N3)[C@@H]2CC)o1 ZINC000096038493 185068654 /nfs/dbraw/zinc/06/86/54/185068654.db2.gz PNONEQFZGDLNNP-RDJZCZTQSA-N 1 0 290.407 2.865 40 0 CFABRO CCOC[C@]12CCCO[C@H]1CC[N@H+](Cc1ccc(C)o1)C2 ZINC000096039329 185069768 /nfs/dbraw/zinc/06/97/68/185069768.db2.gz DEJDKHNIGFFHTQ-DLBZAZTESA-N 1 0 293.407 2.996 40 0 CFABRO CO[C@H]1COC2(C1)CC[NH+](Cc1ccsc1)CC2 ZINC000096048130 185073150 /nfs/dbraw/zinc/07/31/50/185073150.db2.gz RAEPJWAAWBEKTE-CYBMUJFWSA-N 1 0 267.394 2.518 40 0 CFABRO C[N@@H+]1CCCCC12CCN(Cc1ccncc1)CC2 ZINC000096051201 185073718 /nfs/dbraw/zinc/07/37/18/185073718.db2.gz DWTBEAIRRFBODW-UHFFFAOYSA-N 1 0 259.397 2.532 40 0 CFABRO C[N@@H+]1CCCCC12CCN(Cc1cccnc1)CC2 ZINC000096051200 185073950 /nfs/dbraw/zinc/07/39/50/185073950.db2.gz MDUJVDCDDIZZMI-UHFFFAOYSA-N 1 0 259.397 2.532 40 0 CFABRO Cc1noc(C)c1CN1CC[C@H]2[C@H]1CC[N@H+]2CC(C)C ZINC000096055776 185075912 /nfs/dbraw/zinc/07/59/12/185075912.db2.gz SWBJLSRZBJILMZ-JKSUJKDBSA-N 1 0 277.412 2.596 40 0 CFABRO COC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1ccc(F)cc1)C2 ZINC000096056715 185077095 /nfs/dbraw/zinc/07/70/95/185077095.db2.gz SNXMDLDSVAGHFS-SJORKVTESA-N 1 0 293.382 2.843 40 0 CFABRO c1ccc(C[N@H+]2CCC3(CN(Cc4ccccn4)C3)C2)cc1 ZINC000096070801 185086211 /nfs/dbraw/zinc/08/62/11/185086211.db2.gz PMIZXDHMUAYZPS-UHFFFAOYSA-N 1 0 293.414 2.790 40 0 CFABRO c1nnc(N2CCC[C@@]3(CC[N@@H+](CC4CCC4)C3)C2)s1 ZINC000096071637 185087001 /nfs/dbraw/zinc/08/70/01/185087001.db2.gz BNZCKSYOBHVVSI-HNNXBMFYSA-N 1 0 292.452 2.631 40 0 CFABRO c1ccc(C[N@H+]2CCC3(CN(Cc4ccncc4)C3)C2)cc1 ZINC000096070799 185087251 /nfs/dbraw/zinc/08/72/51/185087251.db2.gz OIRHFFGBNQENAY-UHFFFAOYSA-N 1 0 293.414 2.790 40 0 CFABRO CCC(=O)N1CC[C@]2(c3ccccc3)CC[N@@H+](CC)[C@@H]2C1 ZINC000096083407 185092730 /nfs/dbraw/zinc/09/27/30/185092730.db2.gz RIUVUINPIUCPPW-AEFFLSMTSA-N 1 0 286.419 2.661 40 0 CFABRO CC[C@H]1[N@H+](Cc2cccs2)CCC[C@]12CCC(=O)N2 ZINC000096100123 185098213 /nfs/dbraw/zinc/09/82/13/185098213.db2.gz RTKRQVDUPQYPAE-HIFRSBDPSA-N 1 0 278.421 2.771 40 0 CFABRO CO[C@H]1COC2(C1)CC[NH+](Cc1ccc(C)s1)CC2 ZINC000096106523 185098411 /nfs/dbraw/zinc/09/84/11/185098411.db2.gz LJDWJGANVVQYIX-CYBMUJFWSA-N 1 0 281.421 2.826 40 0 CFABRO CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1scnc1C)C2 ZINC000096107457 185099352 /nfs/dbraw/zinc/09/93/52/185099352.db2.gz QEDIBVNZYQSMAD-ZFWWWQNUSA-N 1 0 296.436 2.612 40 0 CFABRO CO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1sccc1C)C2 ZINC000096107195 185099548 /nfs/dbraw/zinc/09/95/48/185099548.db2.gz DPSBOGRFAIEPFT-HIFRSBDPSA-N 1 0 281.421 2.826 40 0 CFABRO COc1ccc(C[C@H]2C[N@@H+](CC3CC3)CC[C@H]2OC)cc1 ZINC000096110268 185101013 /nfs/dbraw/zinc/10/10/13/185101013.db2.gz ZDQRJOPMOKZNJB-FUHWJXTLSA-N 1 0 289.419 2.985 40 0 CFABRO O=C(c1ccco1)N(c1ccccc1)C1CC[NH2+]CC1 ZINC000037560267 346330548 /nfs/dbraw/zinc/33/05/48/346330548.db2.gz DDSUGTXSJFAMIM-UHFFFAOYSA-N 1 0 270.332 2.678 40 0 in-vitro CFABRO COC(=O)c1cc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1F ZINC000096311749 347701114 /nfs/dbraw/zinc/70/11/14/347701114.db2.gz LLCOBIJQTIAJGN-YOGCLGLASA-N 1 0 263.312 2.610 40 0 CFABRO C[C@H]1O[C@H]2C[C@@H](C(F)(F)F)C[C@@H](C[NH3+])[C@@H]2[C@@H]1C ZINC000225761956 348179623 /nfs/dbraw/zinc/17/96/23/348179623.db2.gz SJWHBLVDVMHUKH-VCACHIOZSA-N 1 0 251.292 2.573 40 0 CFABRO CC(C)(C)OC(=O)NC[C@@H]1C[NH2+][C@H]2CCCC[C@H]2C1 ZINC000215711804 348162919 /nfs/dbraw/zinc/16/29/19/348162919.db2.gz NEEFKHAZNNIJIV-AVGNSLFASA-N 1 0 268.401 2.679 40 0 CFABRO C[C@@H]1O[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C[NH3+])[C@@H]2[C@@H]1C ZINC000225761878 348179389 /nfs/dbraw/zinc/17/93/89/348179389.db2.gz SJWHBLVDVMHUKH-HKOMDBLPSA-N 1 0 251.292 2.573 40 0 CFABRO CCOC(=O)[C@@H]1CC[NH2+][C@H]1c1ccccc1C(F)(F)F ZINC000257197842 348305964 /nfs/dbraw/zinc/30/59/64/348305964.db2.gz KQIRECSLHNZWMI-PWSUYJOCSA-N 1 0 287.281 2.919 40 0 CFABRO CC(C)(C)OC(=O)N([C@@H](C(=[NH2+])NO)C1CCCC1)C1CC1 ZINC000409439807 348601946 /nfs/dbraw/zinc/60/19/46/348601946.db2.gz IPTHRWSUHXKIEH-GFCCVEGCSA-N 1 0 297.399 2.901 40 0 CFABRO O[C@H]1[C@H](Oc2ccc(F)cc2)CCC[C@@H]1[NH+]1CCCCC1 ZINC000585286502 348738866 /nfs/dbraw/zinc/73/88/66/348738866.db2.gz ZCNPUQPNZOQHPH-GVDBMIGSSA-N 1 0 293.382 2.972 40 0 CFABRO C[NH+](C)C1CC2(C1)CCN(C(=O)Cc1ccccc1)CC2 ZINC000585102785 348734127 /nfs/dbraw/zinc/73/41/27/348734127.db2.gz FKBSRQHQVYHDLD-UHFFFAOYSA-N 1 0 286.419 2.562 40 0 CFABRO C[N@@H+]1CC[C@]12CCCN(C(=O)c1nccc3ccccc31)C2 ZINC000585102350 348734181 /nfs/dbraw/zinc/73/41/81/348734181.db2.gz XVSVVIKJSOUOHH-SFHVURJKSA-N 1 0 295.386 2.545 40 0 CFABRO c1cc2n(n1)[C@H](CC[NH+]1CCCC1)CN(C1CCCC1)C2 ZINC000585111749 348734727 /nfs/dbraw/zinc/73/47/27/348734727.db2.gz AKUBHLLESIXZLZ-QGZVFWFLSA-N 1 0 288.439 2.668 40 0 CFABRO CCCCn1cc(C[N@@H+]2CC[C@H](c3cc[nH]n3)C2)c(C)n1 ZINC000585181901 348737911 /nfs/dbraw/zinc/73/79/11/348737911.db2.gz GIEKDUGHGZOZBT-AWEZNQCLSA-N 1 0 287.411 2.704 40 0 CFABRO CC(C)[N@@H+]1CC[C@@]2(c3ccccc3)CCN(C)[C@H]2C1 ZINC000107260283 186164525 /nfs/dbraw/zinc/16/45/25/186164525.db2.gz QAUBHKPALPHLRH-DLBZAZTESA-N 1 0 258.409 2.743 40 0 CFABRO CNC(=O)[C@H]1CCC[C@]12CC[N@H+](Cc1ccccc1F)C2 ZINC000108535629 186221739 /nfs/dbraw/zinc/22/17/39/186221739.db2.gz CRHJRCCHXPVQGF-RHSMWYFYSA-N 1 0 290.382 2.564 40 0 CFABRO Cc1ccccc1C[N@H+]1CCC[C@]2(CCN(C)C2=O)CC1 ZINC000108532650 186222069 /nfs/dbraw/zinc/22/20/69/186222069.db2.gz WKFHNNALVZPCSH-SFHVURJKSA-N 1 0 286.419 2.829 40 0 CFABRO CCCOC(=O)[C@@H](c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000606451965 351272160 /nfs/dbraw/zinc/27/21/60/351272160.db2.gz PRMWWEANNQSWAR-GJZGRUSLSA-N 1 0 261.365 2.866 40 0 CFABRO CC(C)(C)Nc1nc(NC[C@@H]2CCCO2)cc(C2CC2)[nH+]1 ZINC000329040218 202164834 /nfs/dbraw/zinc/16/48/34/202164834.db2.gz SBMHJEVOUUDUOZ-LBPRGKRZSA-N 1 0 290.411 2.577 40 0 CFABRO CNc1nc(NCc2ccccc2Cl)cc(C2CC2)[nH+]1 ZINC000329050615 202170747 /nfs/dbraw/zinc/17/07/47/202170747.db2.gz UTWNEXBFOASRJI-UHFFFAOYSA-N 1 0 288.782 2.505 40 0 CFABRO Nc1ccc(-c2cc3ccc(C4=[NH+]CCN4)cc3[nH]2)cc1 ZINC000001587182 283660082 /nfs/dbraw/zinc/66/00/82/283660082.db2.gz WTHNYOLLHUWMGI-UHFFFAOYSA-N 1 0 276.343 2.767 40 0 CFABRO CC(C)c1cc(N2CC[NH+](C)CC2)nc2c(N)cccc12 ZINC000685938640 541450258 /nfs/dbraw/zinc/45/02/58/541450258.db2.gz XWTPTHOZPNKFCM-UHFFFAOYSA-N 1 0 284.407 2.692 40 0 CFABRO CC(C)c1ccccc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000001475850 371677130 /nfs/dbraw/zinc/67/71/30/371677130.db2.gz RVDKJWPICJKRAQ-AWEZNQCLSA-N 1 0 263.381 2.646 40 0 CFABRO CC(=O)Nc1ccc(C(=O)CC[NH+]2CCCCC2)cc1 ZINC000001848505 371708316 /nfs/dbraw/zinc/70/83/16/371708316.db2.gz PNKYXZKNXQZGEF-UHFFFAOYSA-N 1 0 274.364 2.704 40 0 CFABRO C[NH+](C)CC[C@@H](C(=O)c1ccccc1)c1ccccn1 ZINC000001675608 371696446 /nfs/dbraw/zinc/69/64/46/371696446.db2.gz XXLOJSFLUAOJBP-OAHLLOKOSA-N 1 0 268.360 3.000 40 0 CFABRO Cc1ccc(C)c(N2CCN(c3cc[nH+]cc3N)CC2)c1 ZINC000001729467 371703404 /nfs/dbraw/zinc/70/34/04/371703404.db2.gz YJLBBOCNMHAPTM-UHFFFAOYSA-N 1 0 282.391 2.607 40 0 CFABRO O[C@@H](C[NH+]1CCCCC1)c1cc(-c2ccccc2)no1 ZINC000003636719 371814408 /nfs/dbraw/zinc/81/44/08/371814408.db2.gz LWJVXOXWJLSVQO-HNNXBMFYSA-N 1 0 272.348 2.861 40 0 CFABRO O=C(/C=C/c1ccc(Cl)cc1)NCCC[NH+]1CCCC1 ZINC000010450009 371909243 /nfs/dbraw/zinc/90/92/43/371909243.db2.gz AAVAYRPZGRFRSJ-RMKNXTFCSA-N 1 0 292.810 2.955 40 0 CFABRO COc1cc(OC)c(OC)cc1/C=C/C1=CC[N@H+](C)CC1 ZINC000012143032 371945722 /nfs/dbraw/zinc/94/57/22/371945722.db2.gz DIZHBZYKRFPOFA-AATRIKPKSA-N 1 0 289.375 2.988 40 0 CFABRO COc1ccc(C(=O)O[C@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000013756379 372048490 /nfs/dbraw/zinc/04/84/90/372048490.db2.gz DXLIAGZRNHJCQN-ZOWXZIJZSA-N 1 0 277.364 2.581 40 0 CFABRO Cc1ccsc1C[N@H+](CCCO)Cc1ccccn1 ZINC000013997321 372057002 /nfs/dbraw/zinc/05/70/02/372057002.db2.gz NDLUAONVWAGHRO-UHFFFAOYSA-N 1 0 276.405 2.836 40 0 CFABRO C[C@@H]([NH2+]CCN1CCOCC1)c1ccc2ccccc2c1 ZINC000019365971 372156532 /nfs/dbraw/zinc/15/65/32/372156532.db2.gz VDYRCNJMRBJTKR-OAHLLOKOSA-N 1 0 284.403 2.823 40 0 CFABRO [NH3+]CCc1nc2ccccc2n1Cc1ccccc1 ZINC000019734076 372181849 /nfs/dbraw/zinc/18/18/49/372181849.db2.gz LLUUGKYIMWBJGL-UHFFFAOYSA-N 1 0 251.333 2.586 40 0 CFABRO [NH3+]CCCc1nc2ccccc2n1Cc1ccccc1 ZINC000019734011 372182174 /nfs/dbraw/zinc/18/21/74/372182174.db2.gz MHNWMAJRJAJBNR-UHFFFAOYSA-N 1 0 265.360 2.976 40 0 CFABRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1c(F)cccc1F ZINC000019575054 372175615 /nfs/dbraw/zinc/17/56/15/372175615.db2.gz YCTGNUODUMIMEP-NEPJUHHUSA-N 1 0 266.335 2.633 40 0 CFABRO Cc1cccc(OC[C@H](O)C[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000017135477 372127952 /nfs/dbraw/zinc/12/79/52/372127952.db2.gz KGUWUSOKGHJKGH-BZUAXINKSA-N 1 0 277.408 2.713 40 0 CFABRO [NH3+]CCc1nc(-c2ccc(Cl)cc2Cl)no1 ZINC000022119777 372243579 /nfs/dbraw/zinc/24/35/79/372243579.db2.gz YUOLMGBFFZRBON-UHFFFAOYSA-N 1 0 258.108 2.545 40 0 CFABRO c1coc(CN2CC[NH+](C[C@@H]3C[C@H]4C=C[C@@H]3C4)CC2)c1 ZINC000022862527 372245723 /nfs/dbraw/zinc/24/57/23/372245723.db2.gz MPUJOCXZNNCUCE-XHSDSOJGSA-N 1 0 272.392 2.609 40 0 CFABRO OC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000026896709 372331429 /nfs/dbraw/zinc/33/14/29/372331429.db2.gz ZHDSKQDEYFYQBV-ZWKOTPCHSA-N 1 0 267.372 2.895 40 0 CFABRO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH+]1CCCC1 ZINC000031771719 372416945 /nfs/dbraw/zinc/41/69/45/372416945.db2.gz IMOVCMDJFZOMGS-RDJZCZTQSA-N 1 0 258.409 2.993 40 0 CFABRO COCCC[NH2+]Cc1ccc(OCC(C)C)cc1 ZINC000032107284 372427791 /nfs/dbraw/zinc/42/77/91/372427791.db2.gz HTDAIHSMHBLWEA-UHFFFAOYSA-N 1 0 251.370 2.848 40 0 CFABRO [NH3+]C[C@@H]1Cc2ccccc2CN1Cc1ccccc1 ZINC000040448299 372782157 /nfs/dbraw/zinc/78/21/57/372782157.db2.gz CLSTZLUWCPPWLH-KRWDZBQOSA-N 1 0 252.361 2.572 40 0 CFABRO CC(C)O[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000043023094 372973362 /nfs/dbraw/zinc/97/33/62/372973362.db2.gz VXGCNHSBPUNINC-NSHDSACASA-N 1 0 258.159 2.874 40 0 CFABRO C[C@H]1C[C@H](C)C[NH+](CCNC(=O)c2cccc(F)c2)C1 ZINC000046882585 373068533 /nfs/dbraw/zinc/06/85/33/373068533.db2.gz ZAIPCXQIUVHFBS-STQMWFEESA-N 1 0 278.371 2.533 40 0 CFABRO OCC[N@H+](Cc1cccc(C(F)(F)F)c1)C1CC1 ZINC000048065402 373141042 /nfs/dbraw/zinc/14/10/42/373141042.db2.gz FKLLYZIOIFHALT-UHFFFAOYSA-N 1 0 259.271 2.662 40 0 CFABRO FC(F)(F)c1cnc(OC[C@H]2CC[NH2+]C2)c(Cl)c1 ZINC000051889074 373414527 /nfs/dbraw/zinc/41/45/27/373414527.db2.gz ZBAUKANWESDICD-ZETCQYMHSA-N 1 0 280.677 2.742 40 0 CFABRO O=C(NCCC[NH+]1CCCC1)c1ccc(Cl)cc1F ZINC000054460549 373525310 /nfs/dbraw/zinc/52/53/10/373525310.db2.gz BNCMIAHHBHNLRS-UHFFFAOYSA-N 1 0 284.762 2.695 40 0 CFABRO Cc1ccc(C(=O)NCCC[NH+]2CCCC2)cc1C ZINC000061547439 373717985 /nfs/dbraw/zinc/71/79/85/373717985.db2.gz NMWIISBSMZDUGX-UHFFFAOYSA-N 1 0 260.381 2.519 40 0 CFABRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)CCc3ccccc3)C2)C1 ZINC000063527647 373809064 /nfs/dbraw/zinc/80/90/64/373809064.db2.gz QQIQCYVVOWTDFJ-GOSISDBHSA-N 1 0 286.419 2.564 40 0 CFABRO CC(C)(C)OC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000067800804 374004355 /nfs/dbraw/zinc/00/43/55/374004355.db2.gz CMMQYMDKULOWNG-UHFFFAOYSA-N 1 0 291.395 2.571 40 0 CFABRO CCOC(=O)c1c2c(sc1-n1cccc1)C[N@@H+](C)CC2 ZINC000070451589 374177632 /nfs/dbraw/zinc/17/76/32/374177632.db2.gz GOJKLWDYVBATDK-UHFFFAOYSA-N 1 0 290.388 2.703 40 0 CFABRO O[C@@H]([C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000071790109 374224876 /nfs/dbraw/zinc/22/48/76/374224876.db2.gz LPHOHFFMCAPPFF-OLZOCXBDSA-N 1 0 273.298 2.822 40 0 CFABRO CN(C)c1ncc(-c2ccccc2)c([C@H]2CCC[N@@H+]2C)n1 ZINC000072376605 374246752 /nfs/dbraw/zinc/24/67/52/374246752.db2.gz GJRNZGXYNFUHFR-OAHLLOKOSA-N 1 0 282.391 2.976 40 0 CFABRO Cc1ccc(Cl)cc1NC(=O)C1CC[NH+](C)CC1 ZINC000074713350 374434430 /nfs/dbraw/zinc/43/44/30/374434430.db2.gz UPCGKUBFUXDKSU-UHFFFAOYSA-N 1 0 266.772 2.929 40 0 CFABRO CC(C)N(Cc1ccccc1Br)C(=O)[C@H](C)[NH3+] ZINC000079420935 374610764 /nfs/dbraw/zinc/61/07/64/374610764.db2.gz ACSUWCUNKLSXEK-JTQLQIEISA-N 1 0 299.212 2.533 40 0 CFABRO Cc1ccsc1CN(C(=O)[C@@H]([NH3+])C(C)C)C1CC1 ZINC000079436458 374611577 /nfs/dbraw/zinc/61/15/77/374611577.db2.gz XCNSBCWOHNZQMM-ZDUSSCGKSA-N 1 0 266.410 2.531 40 0 CFABRO CC[NH2+][C@@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1 ZINC000079437190 374612268 /nfs/dbraw/zinc/61/22/68/374612268.db2.gz IWDCYRRMPHXLBJ-CABCVRRESA-N 1 0 276.380 2.834 40 0 CFABRO Cc1c(Cl)cccc1NC(=O)[C@@H]1CCC[N@@H+](C)C1 ZINC000082324711 374735004 /nfs/dbraw/zinc/73/50/04/374735004.db2.gz RWTXBUGIQUTXHF-LLVKDONJSA-N 1 0 266.772 2.929 40 0 CFABRO COC(=O)[C@](C)(c1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000085393506 374802638 /nfs/dbraw/zinc/80/26/38/374802638.db2.gz HWRSLXQXYZTRKB-CJNGLKHVSA-N 1 0 261.365 2.807 40 0 CFABRO CN1C(=O)CCC[C@@]12CCC[N@H+](Cc1ccc(F)cc1)C2 ZINC000096049963 375468811 /nfs/dbraw/zinc/46/88/11/375468811.db2.gz XKAMIBCKRNUJLU-KRWDZBQOSA-N 1 0 290.382 2.803 40 0 CFABRO CC(C)CCn1cc(-c2nc(C[NH3+])cs2)cn1 ZINC000095093939 375412741 /nfs/dbraw/zinc/41/27/41/375412741.db2.gz IDFCNURQEIRILN-UHFFFAOYSA-N 1 0 250.371 2.511 40 0 CFABRO CCO[C@@H]1COC2(C1)CC[NH+](Cc1cccc(C)n1)CC2 ZINC000096158736 375472090 /nfs/dbraw/zinc/47/20/90/375472090.db2.gz JINVEPGLBKPJIN-INIZCTEOSA-N 1 0 290.407 2.550 40 0 CFABRO CCO[C@@H]1COC2(C1)CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000096158726 375472105 /nfs/dbraw/zinc/47/21/05/375472105.db2.gz OEACUCNNOQVEQP-INIZCTEOSA-N 1 0 293.382 2.986 40 0 CFABRO c1ccc(CN2C[C@@H]3C[N@H+](CC4CCCC4)C[C@@H]3C2)nc1 ZINC000096161615 375472250 /nfs/dbraw/zinc/47/22/50/375472250.db2.gz SEROEZSOQYMWBY-CALCHBBNSA-N 1 0 285.435 2.635 40 0 CFABRO CO[C@H]1CC[N@H+](Cc2cccc(Cl)c2)[C@H]2CCO[C@@H]21 ZINC000096209756 375476834 /nfs/dbraw/zinc/47/68/34/375476834.db2.gz FFRHTCDPMAPOEV-KKUMJFAQSA-N 1 0 281.783 2.718 40 0 CFABRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)Nc3ccccc3)C2)C1 ZINC000096215243 375477804 /nfs/dbraw/zinc/47/78/04/375477804.db2.gz IAFKXCQCEDZPEP-MRXNPFEDSA-N 1 0 273.380 2.636 40 0 CFABRO CC[N@@H+]1CC[C@]2(C1)CCCN(CCOc1ccccc1)C2 ZINC000096216419 375479084 /nfs/dbraw/zinc/47/90/84/375479084.db2.gz YXZSOCIJBQPNQI-SFHVURJKSA-N 1 0 288.435 2.873 40 0 CFABRO Cc1noc(C)c1C[N@@H+]1CCc2ncnc(C3CC3)c2CC1 ZINC000096255077 375482434 /nfs/dbraw/zinc/48/24/34/375482434.db2.gz RZFHWPLJYQLQII-UHFFFAOYSA-N 1 0 298.390 2.560 40 0 CFABRO CC(C)[NH+]1CCC2(CC1)C(=O)Nc1ccc(F)cc12 ZINC000096261738 375484253 /nfs/dbraw/zinc/48/42/53/375484253.db2.gz BEXGSQCMLFBETC-UHFFFAOYSA-N 1 0 262.328 2.520 40 0 CFABRO Fc1ccc(-c2cc(N3CC[NH2+]CC3)nc(C3CC3)n2)cc1 ZINC000096516926 375489907 /nfs/dbraw/zinc/48/99/07/375489907.db2.gz RRTIBNRHMIEGRJ-UHFFFAOYSA-N 1 0 298.365 2.570 40 0 CFABRO Cc1c(C[NH2+]Cc2ccc(F)s2)cnn1CC(F)F ZINC000256053852 190005057 /nfs/dbraw/zinc/00/50/57/190005057.db2.gz TWXOOYXZZBPAHW-UHFFFAOYSA-N 1 0 289.326 2.947 40 0 CFABRO CCCn1cc(C[NH2+]Cc2ccccc2OC)c(C)n1 ZINC000256053297 190005086 /nfs/dbraw/zinc/00/50/86/190005086.db2.gz QWPWUMLFDAGOPV-UHFFFAOYSA-N 1 0 273.380 2.900 40 0 CFABRO CC(C)n1nc(C2CC2)cc1C[NH2+]C[C@@H]1CCCO1 ZINC000256054342 190005434 /nfs/dbraw/zinc/00/54/34/190005434.db2.gz VYBNOXUKJZHJRI-AWEZNQCLSA-N 1 0 263.385 2.610 40 0 CFABRO COCC[N@@H+]1CCC[C@@H](Cc2ccnc3ccncc23)CC1 ZINC000257209866 190012151 /nfs/dbraw/zinc/01/21/51/190012151.db2.gz BSFJDKZXBBIELP-OAHLLOKOSA-N 1 0 299.418 2.921 40 0 CFABRO CCCn1nccc1-c1ccc(C[C@H]2CC[N@H+](C)C2)cn1 ZINC000257217875 190013965 /nfs/dbraw/zinc/01/39/65/190013965.db2.gz DAYRYAKCNWHCPZ-OAHLLOKOSA-N 1 0 284.407 2.849 40 0 CFABRO CCCn1nccc1-c1cccc(C2CC[NH2+]CC2)n1 ZINC000257228968 190016010 /nfs/dbraw/zinc/01/60/10/190016010.db2.gz FWAQHXRCWHMZIG-UHFFFAOYSA-N 1 0 270.380 2.822 40 0 CFABRO Cc1cn(C)c([C@H]2CC[N@H+](Cc3cccs3)C2)n1 ZINC000257233693 190016648 /nfs/dbraw/zinc/01/66/48/190016648.db2.gz GQGHAQXDHAWGTR-LBPRGKRZSA-N 1 0 261.394 2.780 40 0 CFABRO Cc1c(C[N@@H+]2CCC[C@H](Cc3ccc(C)nc3)C2)cnn1C ZINC000257218259 190014225 /nfs/dbraw/zinc/01/42/25/190014225.db2.gz DCKSYAKJDOGYLH-QGZVFWFLSA-N 1 0 298.434 2.887 40 0 CFABRO c1cn2c(cccc2C2CC[NH+](Cc3cnccn3)CC2)n1 ZINC000257254810 190020782 /nfs/dbraw/zinc/02/07/82/190020782.db2.gz KETOXHRYCHTQKD-UHFFFAOYSA-N 1 0 293.374 2.504 40 0 CFABRO Cc1ccnc([C@@H]2CC[N@@H+](Cc3ccnn3C(C)C)C2)n1 ZINC000257236389 190017426 /nfs/dbraw/zinc/01/74/26/190017426.db2.gz HBYRBFRMHCYMNA-CQSZACIVSA-N 1 0 285.395 2.552 40 0 CFABRO Cc1cnc(Nc2cc(C)nc([C@@H]3CCC[NH2+]3)n2)s1 ZINC000257240629 190018189 /nfs/dbraw/zinc/01/81/89/190018189.db2.gz HUKFDVVHIFIUQI-JTQLQIEISA-N 1 0 275.381 2.718 40 0 CFABRO CN(C)c1nc([C@H]2CCC[N@@H+]2CC2CC2)cn2cccc12 ZINC000257251404 190020407 /nfs/dbraw/zinc/02/04/07/190020407.db2.gz JQQAGPMPXAINOK-OAHLLOKOSA-N 1 0 284.407 2.947 40 0 CFABRO CCCn1nccc1-c1cc([C@@H]2CCCC[NH2+]2)nc(C)n1 ZINC000257253911 190020457 /nfs/dbraw/zinc/02/04/57/190020457.db2.gz KATSCNGHKFITEK-ZDUSSCGKSA-N 1 0 285.395 2.873 40 0 CFABRO Cc1cc(-c2cncc(C[C@@H]3CCC[N@@H+](C(C)C)C3)n2)n[nH]1 ZINC000257262076 190022165 /nfs/dbraw/zinc/02/21/65/190022165.db2.gz LJYKGZQDAVFHQH-AWEZNQCLSA-N 1 0 299.422 2.838 40 0 CFABRO CNc1cncc([C@@H]2CCC[N@@H+]2Cc2cccs2)n1 ZINC000257280713 190025698 /nfs/dbraw/zinc/02/56/98/190025698.db2.gz OMAPXGYJMNMKIG-ZDUSSCGKSA-N 1 0 274.393 2.917 40 0 CFABRO Cc1cccc(Nc2cc(C)nc([C@@H]3CCC[NH2+]3)n2)n1 ZINC000257282756 190026547 /nfs/dbraw/zinc/02/65/47/190026547.db2.gz OVEFSLKDQKDBOZ-LBPRGKRZSA-N 1 0 269.352 2.657 40 0 CFABRO Cc1cccc(Nc2cc(C)nc([C@H]3CCC[NH2+]3)n2)n1 ZINC000257282755 190026620 /nfs/dbraw/zinc/02/66/20/190026620.db2.gz OVEFSLKDQKDBOZ-GFCCVEGCSA-N 1 0 269.352 2.657 40 0 CFABRO c1[nH]nc2nc([C@@H]3CCC[N@@H+](CC4CC4)C3)ccc12 ZINC000257276043 190024430 /nfs/dbraw/zinc/02/44/30/190024430.db2.gz NSDLEIBAMGXMDJ-CYBMUJFWSA-N 1 0 256.353 2.547 40 0 CFABRO Cc1ccc(C[C@@H]2CCC[N@@H+](C3CCOCC3)C2)cn1 ZINC000257290226 190027925 /nfs/dbraw/zinc/02/79/25/190027925.db2.gz QCCDCFRTTQYIDM-INIZCTEOSA-N 1 0 274.408 2.824 40 0 CFABRO Cc1n[nH]cc1-c1nccnc1C1CC[NH+](C(C)C)CC1 ZINC000257289798 190027942 /nfs/dbraw/zinc/02/79/42/190027942.db2.gz QAFNDJONEILOPM-UHFFFAOYSA-N 1 0 285.395 2.763 40 0 CFABRO CCCn1nccc1-c1cc([C@H]2CCC[NH2+]2)ccn1 ZINC000257296574 190028250 /nfs/dbraw/zinc/02/82/50/190028250.db2.gz RDJOZTFRVDDQLN-CYBMUJFWSA-N 1 0 256.353 2.780 40 0 CFABRO CCCn1nccc1-c1ccc(C[C@H]2CC[NH2+]C2)cn1 ZINC000257306751 190030793 /nfs/dbraw/zinc/03/07/93/190030793.db2.gz SVRIDFREDLSJCA-CQSZACIVSA-N 1 0 270.380 2.507 40 0 CFABRO CC(C)n1nccc1-c1cccc(C2CC[NH2+]CC2)n1 ZINC000257308902 190031127 /nfs/dbraw/zinc/03/11/27/190031127.db2.gz TYRBKVKYTFWRBZ-UHFFFAOYSA-N 1 0 270.380 2.993 40 0 CFABRO Cc1ncc(-c2cncc([C@H]3CCC[N@@H+](C(C)C)C3)n2)n1C ZINC000257309183 190031293 /nfs/dbraw/zinc/03/12/93/190031293.db2.gz TZWGQDJMPWESTL-AWEZNQCLSA-N 1 0 299.422 2.773 40 0 CFABRO Nc1nccnc1C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000257311611 190032151 /nfs/dbraw/zinc/03/21/51/190032151.db2.gz UKHKAAJZXRBVFP-OAHLLOKOSA-N 1 0 282.391 2.514 40 0 CFABRO CC1(c2ncc(Cl)s2)CC[NH+]([C@H]2CCOC2)CC1 ZINC000257312922 190032203 /nfs/dbraw/zinc/03/22/03/190032203.db2.gz UQEWJOIDQGNOTN-JTQLQIEISA-N 1 0 286.828 2.939 40 0 CFABRO c1cnc(Nc2cc(CCC3CC[NH2+]CC3)ccn2)nc1 ZINC000257317845 190032937 /nfs/dbraw/zinc/03/29/37/190032937.db2.gz VLKPAEMJSXLSSQ-UHFFFAOYSA-N 1 0 283.379 2.547 40 0 CFABRO Cc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2ncccc2C)C1 ZINC000257337097 190035997 /nfs/dbraw/zinc/03/59/97/190035997.db2.gz YRIJVOHJPJGJMB-CQSZACIVSA-N 1 0 270.380 2.801 40 0 CFABRO Cc1cc(-c2nccs2)nc([C@H]2CCCC[NH2+]2)n1 ZINC000257336990 190036245 /nfs/dbraw/zinc/03/62/45/190036245.db2.gz YQXLSQKDZHNNNH-SNVBAGLBSA-N 1 0 260.366 2.723 40 0 CFABRO Cc1cccc(Nc2cccc([C@H]3CCC[NH2+]C3)n2)n1 ZINC000257336295 190036673 /nfs/dbraw/zinc/03/66/73/190036673.db2.gz YNUOCHBFZJAAAP-ZDUSSCGKSA-N 1 0 268.364 2.996 40 0 CFABRO CCCn1cc(C[NH2+]Cc2ccc(OC)cc2)cn1 ZINC000116912002 376216275 /nfs/dbraw/zinc/21/62/75/376216275.db2.gz XYGOEXKNOBHBSY-UHFFFAOYSA-N 1 0 259.353 2.592 40 0 CFABRO Cn1cc(C[NH2+]Cc2ccccc2)c(C(F)(F)F)n1 ZINC000130775803 377607994 /nfs/dbraw/zinc/60/79/94/377607994.db2.gz MMWCAEVOOQXPIR-UHFFFAOYSA-N 1 0 269.270 2.729 40 0 CFABRO CCN(CC)[C@H](C[NH3+])c1ccccc1OC(F)(F)F ZINC000019255088 284811291 /nfs/dbraw/zinc/81/12/91/284811291.db2.gz ALGYGDZFSQOXAW-LLVKDONJSA-N 1 0 276.302 2.927 40 0 CFABRO CC(C)(C)OC(=O)NC12CCC(C[NH3+])(CC1)CCC2 ZINC000306145550 382452607 /nfs/dbraw/zinc/45/26/07/382452607.db2.gz IGCDKASUBZEOKL-UHFFFAOYSA-N 1 0 268.401 2.953 40 0 CFABRO Cc1ccnc([C@H]2CC[N@H+](Cc3ccsc3)C2)n1 ZINC000205693848 382773727 /nfs/dbraw/zinc/77/37/27/382773727.db2.gz WJNNLNMGHIRLCA-ZDUSSCGKSA-N 1 0 259.378 2.836 40 0 CFABRO COC(=O)[C@@](C)(c1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000216521376 382784081 /nfs/dbraw/zinc/78/40/81/382784081.db2.gz HWRSLXQXYZTRKB-CZUORRHYSA-N 1 0 261.365 2.807 40 0 CFABRO Cc1ccc(-c2ccc3nnc([C@H]([NH3+])C(C)C)n3n2)cc1 ZINC000217564435 382786981 /nfs/dbraw/zinc/78/69/81/382786981.db2.gz YHOZYWWCQNNIOA-OAHLLOKOSA-N 1 0 281.363 2.756 40 0 CFABRO CCCCN1c2ccc(SCC[NH3+])cc2CCC1=O ZINC000218812444 382791118 /nfs/dbraw/zinc/79/11/18/382791118.db2.gz DUBYVVDFDSMVQJ-UHFFFAOYSA-N 1 0 278.421 2.817 40 0 CFABRO CCOc1cccc2c(NCCC[NH3+])cc(C)nc12 ZINC000222690371 382803423 /nfs/dbraw/zinc/80/34/23/382803423.db2.gz TVEBDLXDDPPBLD-UHFFFAOYSA-N 1 0 259.353 2.703 40 0 CFABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)C(C)(C)C ZINC000223985291 382808456 /nfs/dbraw/zinc/80/84/56/382808456.db2.gz CHNKSZMKKMMTFQ-CYBMUJFWSA-N 1 0 254.418 2.803 40 0 CFABRO O=C(OCc1ccccc1)N1CCC[C@]2(CCC[NH2+]C2)C1 ZINC000224679345 382811696 /nfs/dbraw/zinc/81/16/96/382811696.db2.gz CRZQOAJRKFXVGE-KRWDZBQOSA-N 1 0 288.391 2.789 40 0 CFABRO C[NH+](C)CCCNC(=O)c1ccc2nc(Cl)sc2c1 ZINC000225975202 382823992 /nfs/dbraw/zinc/82/39/92/382823992.db2.gz CRCMKXGOYLDREO-UHFFFAOYSA-N 1 0 297.811 2.631 40 0 CFABRO CC(C)(C)OC(=O)NC[C@@H]1C[NH2+][C@@H]2CCCC[C@H]2C1 ZINC000250592745 383377974 /nfs/dbraw/zinc/37/79/74/383377974.db2.gz NEEFKHAZNNIJIV-RWMBFGLXSA-N 1 0 268.401 2.679 40 0 CFABRO OC[C@@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCCC1 ZINC000070453071 285272432 /nfs/dbraw/zinc/27/24/32/285272432.db2.gz BVUQQTRTHFEGGK-LBPRGKRZSA-N 1 0 259.271 2.835 40 0 CFABRO CC(C)[N@@H+]1CCCC[C@H]1c1cccnc1N1CCOCC1 ZINC000072216243 256710726 /nfs/dbraw/zinc/71/07/26/256710726.db2.gz FYMPNMKYTDBKDR-INIZCTEOSA-N 1 0 289.423 2.854 40 0 CFABRO CSc1ncc(C[NH2+]CCc2ccccc2)cn1 ZINC000062717206 256722230 /nfs/dbraw/zinc/72/22/30/256722230.db2.gz CQTUHMDADJQHSA-UHFFFAOYSA-N 1 0 259.378 2.531 40 0 CFABRO [NH3+]CC1(NC(=O)OCc2ccccc2)CCCCCC1 ZINC000096295484 256888652 /nfs/dbraw/zinc/88/86/52/256888652.db2.gz DQQYSRUKJAPMSA-UHFFFAOYSA-N 1 0 276.380 2.965 40 0 CFABRO CCCCOCCC[NH2+]Cc1cnc(NC(C)C)nc1 ZINC000062717642 262302471 /nfs/dbraw/zinc/30/24/71/262302471.db2.gz ARJMDYVPPRMNGS-UHFFFAOYSA-N 1 0 280.416 2.593 40 0 CFABRO C[NH+](C)CC[C@H]1CCCCN1C(=O)[C@@H]1C[C@@H]2C=C[C@H]1C2 ZINC000019582164 393483849 /nfs/dbraw/zinc/48/38/49/393483849.db2.gz PHDFWBRCMSAZGI-QKPAOTATSA-N 1 0 276.424 2.531 40 0 CFABRO C[NH+](C)CCN(CCc1ccccc1)Cc1ccncc1 ZINC000022913735 393490196 /nfs/dbraw/zinc/49/01/96/393490196.db2.gz TVMILAZOPDNKDS-UHFFFAOYSA-N 1 0 283.419 2.688 40 0 CFABRO Fc1ccc(-c2noc([C@@H]3CCC[N@@H+]3C3CCC3)n2)nc1 ZINC000049155429 393611251 /nfs/dbraw/zinc/61/12/51/393611251.db2.gz DFNGADPOVUXUDY-ZDUSSCGKSA-N 1 0 288.326 2.960 40 0 biogenic,in-vitro CFABRO CNc1ncc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cn1 ZINC000062717429 393627770 /nfs/dbraw/zinc/62/77/70/393627770.db2.gz ZWIIQWAUHDBMRF-UHFFFAOYSA-N 1 0 272.396 2.577 40 0 CFABRO CC[C@@H]([NH2+]C)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072207673 393642323 /nfs/dbraw/zinc/64/23/23/393642323.db2.gz CENDFVPDXZUHOW-VXGBXAGGSA-N 1 0 256.390 2.774 40 0 CFABRO [NH3+]CCc1cc(-c2cccc(Br)c2)on1 ZINC000072220701 393646314 /nfs/dbraw/zinc/64/63/14/393646314.db2.gz BZUMPMDZPGZSIG-UHFFFAOYSA-N 1 0 267.126 2.605 40 0 CFABRO [NH3+]Cc1coc(-c2ccc(Br)cc2)n1 ZINC000082556181 393740553 /nfs/dbraw/zinc/74/05/53/393740553.db2.gz NLPRVNFOBHGKFT-UHFFFAOYSA-N 1 0 253.099 2.563 40 0 CFABRO C[C@H]1CCCN([C@@H](C[NH3+])c2cncc(Br)c2)C1 ZINC000096511153 393836284 /nfs/dbraw/zinc/83/62/84/393836284.db2.gz IGLNQGPKWSTJQT-GWCFXTLKSA-N 1 0 298.228 2.576 40 0 CFABRO O=C1Nc2ccccc2C12CC[NH+](Cc1cccnc1)CC2 ZINC000096052479 393814651 /nfs/dbraw/zinc/81/46/51/393814651.db2.gz KOWSRCIRSWPHJQ-UHFFFAOYSA-N 1 0 293.370 2.568 40 0 CFABRO CC(C)[NH2+]C[C@H]1Cn2c(-c3ccc(F)cc3)cnc2CO1 ZINC000096296379 393818049 /nfs/dbraw/zinc/81/80/49/393818049.db2.gz YOYRWKIJGJLKNQ-AWEZNQCLSA-N 1 0 289.354 2.586 40 0 biogenic,in-vitro CFABRO CC(=O)N1CC[N@@H+](C2CCCC2)C[C@@H]1c1ccccc1 ZINC000257343394 393945001 /nfs/dbraw/zinc/94/50/01/393945001.db2.gz ZSVNBXYQWJAUNZ-QGZVFWFLSA-N 1 0 272.392 2.834 40 0 CFABRO C[C@@H](C[NH3+])c1ccc2c(n1)N(C(=O)OC(C)(C)C)CCC2 ZINC000091692660 135073405 /nfs/dbraw/zinc/07/34/05/135073405.db2.gz KIMOBFPUGIGVLQ-NSHDSACASA-N 1 0 291.395 2.832 40 0 CFABRO CCOCC[C@H]1Cn2cccc2C[N@@H+](C2CCC2)C1 ZINC000585095597 395100477 /nfs/dbraw/zinc/10/04/77/395100477.db2.gz ZPILDNFUOMWSLP-AWEZNQCLSA-N 1 0 262.397 2.899 40 0 CFABRO CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]([NH3+])C(C)(C)C ZINC000072208646 397590599 /nfs/dbraw/zinc/59/05/99/397590599.db2.gz HUNFKADRYMPRPW-QWRGUYRKSA-N 1 0 256.390 2.759 40 0 CFABRO COc1ccc(C[NH2+]CCCSc2ncccn2)cc1 ZINC000004984133 170049111 /nfs/dbraw/zinc/04/91/11/170049111.db2.gz IXMHVNMEGDJAOA-UHFFFAOYSA-N 1 0 289.404 2.757 40 0 CFABRO CCCC[NH+](CCCC)C[C@H](O)COCC(C)C ZINC000005419548 170097364 /nfs/dbraw/zinc/09/73/64/170097364.db2.gz KCFFRBVFXFIEMK-HNNXBMFYSA-N 1 0 259.434 2.922 40 0 CFABRO CCCCC[NH2+][C@@H](C)COC(=O)c1ccc(N)cc1 ZINC000005837661 170145522 /nfs/dbraw/zinc/14/55/22/170145522.db2.gz RYYJEDYRQTWXPX-LBPRGKRZSA-N 1 0 264.369 2.594 40 0 CFABRO C[C@H]1CCC[N@H+](C[C@H](O)COc2ccccc2Cl)C1 ZINC000006455766 170202499 /nfs/dbraw/zinc/20/24/99/170202499.db2.gz PZHMKCPFKTYWHY-STQMWFEESA-N 1 0 283.799 2.812 40 0 CFABRO OC[C@@H](Cc1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC000006535769 170211254 /nfs/dbraw/zinc/21/12/54/170211254.db2.gz BDPUIRDJZMADAC-CQSZACIVSA-N 1 0 253.773 2.729 40 0 CFABRO CC1CC[NH+](CCCOc2cccc(C=O)c2)CC1 ZINC000009261543 170369558 /nfs/dbraw/zinc/36/95/58/170369558.db2.gz BTHYDUUQCFPJKV-UHFFFAOYSA-N 1 0 261.365 3.000 40 0 CFABRO COc1cc2ccccc2cc1C(=O)NCCC[NH+](C)C ZINC000020036677 170974617 /nfs/dbraw/zinc/97/46/17/170974617.db2.gz RYHWPZUWVCXVQH-UHFFFAOYSA-N 1 0 286.375 2.530 40 0 CFABRO [NH3+]Cc1cc(-c2ccc(Cl)c(Cl)c2)ncn1 ZINC000020384118 171175035 /nfs/dbraw/zinc/17/50/35/171175035.db2.gz VLUGPGARMCVYQE-UHFFFAOYSA-N 1 0 254.120 2.909 40 0 CFABRO CCOc1ccccc1O[C@H](c1ccccc1)[C@@H](O)C[NH3+] ZINC000022048379 171350885 /nfs/dbraw/zinc/35/08/85/171350885.db2.gz NSRLBJFRMMPGOK-WMLDXEAASA-N 1 0 287.359 2.525 40 0 in-vitro CFABRO COc1ccc2[nH]c([C@H]3CC[N@@H+](C4CCC4)C3)nc2c1 ZINC000035446745 172203165 /nfs/dbraw/zinc/20/31/65/172203165.db2.gz UAEBASDJOLJWLI-NSHDSACASA-N 1 0 271.364 2.913 40 0 biogenic,in-vitro CFABRO COc1ccc2[nH]c([C@H]3CC[N@@H+](C(C)C)C3)nc2c1 ZINC000035446803 172203377 /nfs/dbraw/zinc/20/33/77/172203377.db2.gz OHJODEJZDPCWLM-NSHDSACASA-N 1 0 259.353 2.769 40 0 biogenic,in-vitro CFABRO Cc1cccc(C)c1NC(=O)COc1cccc(C[NH3+])c1 ZINC000036720738 172658081 /nfs/dbraw/zinc/65/80/81/172658081.db2.gz JOVFRJIYBMMPTK-UHFFFAOYSA-N 1 0 284.359 2.780 40 0 CFABRO CC1CCN([C@H](C[NH3+])c2cc(F)ccc2F)CC1 ZINC000037233431 173052199 /nfs/dbraw/zinc/05/21/99/173052199.db2.gz OXNLKJINUHAKGM-CQSZACIVSA-N 1 0 254.324 2.697 40 0 CFABRO Clc1ccc(CN[C@H]2CCC[NH2+]C2)cc1Cl ZINC000072203570 176341443 /nfs/dbraw/zinc/34/14/43/176341443.db2.gz QUPHXMYPFMPSQU-JTQLQIEISA-N 1 0 259.180 2.835 40 0 CFABRO Cc1ccc(CN2C[C@H]3CCC[N@H+]3C[C@@H]2C)s1 ZINC000072324478 176369807 /nfs/dbraw/zinc/36/98/07/176369807.db2.gz PBPRGBZWHZTRBD-WCQYABFASA-N 1 0 250.411 2.725 40 0 CFABRO Cc1nccc([C@H]2CCC[N@H+](Cc3ccncc3)C2)n1 ZINC000072351181 176374202 /nfs/dbraw/zinc/37/42/02/176374202.db2.gz IBKOFXINEPOVQX-HNNXBMFYSA-N 1 0 268.364 2.560 40 0 CFABRO Cc1cccc(C2(O)CC[NH+](Cc3ccncc3)CC2)c1 ZINC000072351165 176374346 /nfs/dbraw/zinc/37/43/46/176374346.db2.gz KEXAGOAYMHVDAU-UHFFFAOYSA-N 1 0 282.387 2.874 40 0 CFABRO Fc1cccc(-c2nccnc2[C@@H]2CCC[NH2+]C2)c1 ZINC000072356378 176375756 /nfs/dbraw/zinc/37/57/56/176375756.db2.gz TVVGYIAWYJEXQL-GFCCVEGCSA-N 1 0 257.312 2.750 40 0 CFABRO CC(C)[N@@H+]1CCC[C@@H](c2nccnc2-c2cncnc2)C1 ZINC000072358411 176376120 /nfs/dbraw/zinc/37/61/20/176376120.db2.gz NDXSQFFCKDNLBC-CYBMUJFWSA-N 1 0 283.379 2.521 40 0 CFABRO c1ccc(CC[N@@H+]2CCC[C@H](c3cnccn3)C2)cc1 ZINC000072363740 176378443 /nfs/dbraw/zinc/37/84/43/176378443.db2.gz MKNNRIARGNGFIV-INIZCTEOSA-N 1 0 267.376 2.899 40 0 CFABRO CNc1cccc(C2CC[NH+](Cc3ccncc3)CC2)n1 ZINC000072363796 176378560 /nfs/dbraw/zinc/37/85/60/176378560.db2.gz JUYDMCJDPKHZHI-UHFFFAOYSA-N 1 0 282.391 2.898 40 0 CFABRO Cc1cc(-c2ccc(CO)cc2)nc([C@H]2CCC[N@@H+](C)C2)n1 ZINC000072365265 176380658 /nfs/dbraw/zinc/38/06/58/176380658.db2.gz VVPXENVZLYOGFJ-INIZCTEOSA-N 1 0 297.402 2.754 40 0 CFABRO Cc1ccccc1NC(=O)c1cncc(C2CC[NH2+]CC2)n1 ZINC000072365595 176380789 /nfs/dbraw/zinc/38/07/89/176380789.db2.gz FROUFYIAIKKDQC-UHFFFAOYSA-N 1 0 296.374 2.504 40 0 CFABRO C[N@@H+]1CCCC[C@@H]1c1ccc(Nc2cnccn2)nc1 ZINC000072372053 176384139 /nfs/dbraw/zinc/38/41/39/176384139.db2.gz JDDGSYJRHQQLGU-CYBMUJFWSA-N 1 0 269.352 2.772 40 0 CFABRO CCc1nccn1-c1cccc([C@@H]2CCC[N@@H+]2C)n1 ZINC000072379095 176385833 /nfs/dbraw/zinc/38/58/33/176385833.db2.gz JEPHHNIZGYLMIY-ZDUSSCGKSA-N 1 0 256.353 2.596 40 0 CFABRO CC(C)[N@@H+]1CCC[C@H]1c1ccnc(Nc2cnccn2)n1 ZINC000072377461 176386086 /nfs/dbraw/zinc/38/60/86/176386086.db2.gz BPMOIWHHDCBOHJ-ZDUSSCGKSA-N 1 0 284.367 2.556 40 0 CFABRO c1ccc(CC[NH+]2CC(c3[nH]nc4ncccc43)C2)cc1 ZINC000072385009 176389365 /nfs/dbraw/zinc/38/93/65/176389365.db2.gz TZPUXCQHJBHWIE-UHFFFAOYSA-N 1 0 278.359 2.600 40 0 CFABRO c1cncc(C[C@@H]2CCC[N@@H+](C3CCOCC3)C2)c1 ZINC000072385944 176391224 /nfs/dbraw/zinc/39/12/24/176391224.db2.gz XLBHDBMHFRPABG-HNNXBMFYSA-N 1 0 260.381 2.515 40 0 CFABRO O=C(NC1CCCCC1)c1cccc([C@H]2CCC[NH2+]2)n1 ZINC000072387008 176392582 /nfs/dbraw/zinc/39/25/82/176392582.db2.gz KTNABSUBXKIURR-CYBMUJFWSA-N 1 0 273.380 2.569 40 0 CFABRO CC(C)[NH2+]C[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000079437216 177490207 /nfs/dbraw/zinc/49/02/07/177490207.db2.gz LWMPHVNVZIXDFR-HNNXBMFYSA-N 1 0 276.380 2.786 40 0 CFABRO O=C(OCc1ccccc1)N1CCCC[C@@H]1C[NH2+]C1CC1 ZINC000079437280 177490227 /nfs/dbraw/zinc/49/02/27/177490227.db2.gz GUFKQXPACGJEIH-MRXNPFEDSA-N 1 0 288.391 2.930 40 0 CFABRO COc1cccc(C[NH2+]CC(=O)N2[C@H](C)CCC[C@@H]2C)c1 ZINC000053598509 260214666 /nfs/dbraw/zinc/21/46/66/260214666.db2.gz MJPOGXNGYJYFPQ-OKILXGFUSA-N 1 0 290.407 2.574 40 0 CFABRO O=C(/C=C/c1ccccc1Cl)NCCC[NH+]1CCCC1 ZINC000010450004 261460901 /nfs/dbraw/zinc/46/09/01/261460901.db2.gz LQPQBALCLJAMPU-CMDGGOBGSA-N 1 0 292.810 2.955 40 0 CFABRO [NH3+][C@H]1CCCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000040435004 274962230 /nfs/dbraw/zinc/96/22/30/274962230.db2.gz DRIYQDMTLIGDRK-QMMMGPOBSA-N 1 0 279.693 2.681 40 0 CFABRO [NH3+][C@H]1CCC[C@H]1Nc1ccc(Br)cc1 ZINC000218681633 274962893 /nfs/dbraw/zinc/96/28/93/274962893.db2.gz DWASZSUOYFWDHH-WDEREUQCSA-N 1 0 255.159 2.741 40 0 CFABRO CCOc1ccc2c(c1)OC1(CC[NH+](C)CC1)CC2=O ZINC000225820396 276377841 /nfs/dbraw/zinc/37/78/41/276377841.db2.gz NDVAXGVNALSRNL-UHFFFAOYSA-N 1 0 275.348 2.515 40 0 CFABRO CC(=O)O[C@@H]1[C@@H]2CC[C@H]1[C@@H]([NH+]1CCCCC1)CC2 ZINC000101994872 277093761 /nfs/dbraw/zinc/09/37/61/277093761.db2.gz WAAWXHBKTWLHRM-CBBWQLFWSA-N 1 0 251.370 2.593 40 0 CFABRO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000038999798 277204344 /nfs/dbraw/zinc/20/43/44/277204344.db2.gz VFOIOFJINUUTMG-NSHDSACASA-N 1 0 254.374 2.528 40 0 CFABRO CC(C)[C@H]([NH3+])C(=O)N(Cc1nccc2ccccc21)C(C)C ZINC000079422215 280271916 /nfs/dbraw/zinc/27/19/16/280271916.db2.gz JELMZQWRRFRPBR-KRWDZBQOSA-N 1 0 299.418 2.955 40 0 CFABRO Cc1cc(C)c(NC(=O)[C@H]2CCC[N@@H+](C)C2)c(C)c1 ZINC000082323754 280393908 /nfs/dbraw/zinc/39/39/08/280393908.db2.gz VBMHSYCQKHSXEZ-AWEZNQCLSA-N 1 0 260.381 2.892 40 0 CFABRO O[C@H]1CCCC[C@@H]1[NH+]1CCC(c2ccccn2)CC1 ZINC000257232702 526304216 /nfs/dbraw/zinc/30/42/16/526304216.db2.gz GMAHBLDSRWHHLL-HOTGVXAUSA-N 1 0 260.381 2.565 40 0 CFABRO Fc1ccc(CNc2cc(C3CC3)[nH+]c(NC3CC3)n2)cc1 ZINC000329063324 526335375 /nfs/dbraw/zinc/33/53/75/526335375.db2.gz XCNSEPULMNIIKF-UHFFFAOYSA-N 1 0 298.365 2.523 40 0 CFABRO [NH3+]C[C@H]1CCCN(Cc2c(F)cccc2Cl)C1 ZINC000049345418 527233195 /nfs/dbraw/zinc/23/31/95/527233195.db2.gz UJYCAZKOJAQSRZ-SNVBAGLBSA-N 1 0 256.752 2.650 40 0 CFABRO CCOc1ccc(-c2nnc([C@@H]([NH3+])C(C)C)[nH]2)cc1OC ZINC000095534813 185008398 /nfs/dbraw/zinc/00/83/98/185008398.db2.gz LIBRBZMGLQFMCP-ZDUSSCGKSA-N 1 0 290.367 2.535 40 0 CFABRO c1cncc([C@@H]2COC3(C2)CC[NH+](CC2CC2)CC3)c1 ZINC000096047785 185072920 /nfs/dbraw/zinc/07/29/20/185072920.db2.gz MRGUTOOQBFMAPF-INIZCTEOSA-N 1 0 272.392 2.830 40 0 CFABRO CC[C@@H]1[N@H+](Cc2ccco2)CCC[C@]12CCC(=O)N2C ZINC000096052410 185073998 /nfs/dbraw/zinc/07/39/98/185073998.db2.gz RLYZBHIIMHWLCC-HOCLYGCPSA-N 1 0 276.380 2.645 40 0 CFABRO Cc1ccc(C[N@@H+]2CCC[C@]3(CCCC(=O)N3)C2)s1 ZINC000096049941 185074671 /nfs/dbraw/zinc/07/46/71/185074671.db2.gz DSXCFCMLQAHBJF-OAHLLOKOSA-N 1 0 278.421 2.691 40 0 CFABRO c1csc(C[NH+]2C[C@@H]3CN(Cc4ccccn4)C[C@H]3C2)c1 ZINC000096053780 185074920 /nfs/dbraw/zinc/07/49/20/185074920.db2.gz QAGHXNLTGUOAEA-GJZGRUSLSA-N 1 0 299.443 2.707 40 0 CFABRO COc1ccc(CN2CC[C@H]3[C@H]2CC[N@@H+]3CC(C)C)cc1 ZINC000096055778 185075441 /nfs/dbraw/zinc/07/54/41/185075441.db2.gz ILWQMVJYGGBARE-ZWKOTPCHSA-N 1 0 288.435 3.000 40 0 CFABRO Cc1ccc(C[NH+]2C[C@H]3CN(Cc4ccccn4)C[C@@H]3C2)o1 ZINC000096053792 185075972 /nfs/dbraw/zinc/07/59/72/185075972.db2.gz FODQKOBDPUAGEG-HZPDHXFCSA-N 1 0 297.402 2.547 40 0 CFABRO Cc1ccc(CN2CC[C@H]3[C@H]2CC[N@H+]3CC(C)C)o1 ZINC000096055774 185076309 /nfs/dbraw/zinc/07/63/09/185076309.db2.gz UJFCPMHKJBXVTC-JKSUJKDBSA-N 1 0 262.397 2.893 40 0 CFABRO CC(C)CN1CC2(C1)CC[N@H+](Cc1ccccc1)C2 ZINC000096070794 185086983 /nfs/dbraw/zinc/08/69/83/185086983.db2.gz MHOOWKDPFUFCPF-UHFFFAOYSA-N 1 0 258.409 2.850 40 0 CFABRO O=C1C[C@@H]2[C@H](CC[N@@H+]2Cc2cccs2)N1c1cccnc1 ZINC000096110716 185100618 /nfs/dbraw/zinc/10/06/18/185100618.db2.gz WWVOHISVKDPBNM-LSDHHAIUSA-N 1 0 299.399 2.523 40 0 CFABRO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCC[C@H]2[NH3+] ZINC000096958590 185142359 /nfs/dbraw/zinc/14/23/59/185142359.db2.gz DCIGOSDVURTNCR-BXUZGUMPSA-N 1 0 254.374 2.515 40 0 CFABRO CNc1nc(N2CCc3ccccc3C2)cc(C(C)C)[nH+]1 ZINC000329034365 136377655 /nfs/dbraw/zinc/37/76/55/136377655.db2.gz QYQHCTOPAMCTHU-UHFFFAOYSA-N 1 0 282.391 2.626 40 0 CFABRO O=C(OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccncc1 ZINC000005705280 346212384 /nfs/dbraw/zinc/21/23/84/346212384.db2.gz KFIZLPOAJRUESW-LSDHHAIUSA-N 1 0 274.364 2.503 40 0 CFABRO C[C@H]1CN([C@@H](C[NH3+])c2c(F)cccc2Cl)C[C@H](C)O1 ZINC000036101124 346322265 /nfs/dbraw/zinc/32/22/65/346322265.db2.gz WWWMEEMLFPNBKO-KWBADKCTSA-N 1 0 286.778 2.588 40 0 CFABRO C[NH2+][C@@H]1CCCC[C@H]1N(C(=O)OC(C)(C)C)C1CC1 ZINC000079437723 290805455 /nfs/dbraw/zinc/80/54/55/290805455.db2.gz ANGWZMALTASHTL-CHWSQXEVSA-N 1 0 268.401 2.917 40 0 CFABRO Cc1cccc(CN2CC[NH2+]C[C@@H]2c2ccccc2)n1 ZINC000086177652 179246817 /nfs/dbraw/zinc/24/68/17/179246817.db2.gz MBGLJBSUOJALGA-QGZVFWFLSA-N 1 0 267.376 2.537 40 0 CFABRO FC[C@@H]1C[NH2+]C[C@H]1c1ccc(Br)cc1 ZINC000409421941 348600480 /nfs/dbraw/zinc/60/04/80/348600480.db2.gz AEJNDIBUEHRHCY-KOLCDFICSA-N 1 0 258.134 2.722 40 0 CFABRO Cc1nc(C[NH3+])cc(-c2ccc(F)cc2Cl)n1 ZINC000409437377 348602461 /nfs/dbraw/zinc/60/24/61/348602461.db2.gz FVTSLOLHLVAWSL-UHFFFAOYSA-N 1 0 251.692 2.703 40 0 CFABRO Cc1ccc(OCC2(O)CC[NH+](C3CCC3)CC2)cc1 ZINC000585281748 348738548 /nfs/dbraw/zinc/73/85/48/348738548.db2.gz QPGAGJOVYUXRFC-UHFFFAOYSA-N 1 0 275.392 2.753 40 0 CFABRO O=C(Nc1nc([C@@H]2CCC[NH2+]2)cs1)c1ccc(F)cc1 ZINC000585266537 348738923 /nfs/dbraw/zinc/73/89/23/348738923.db2.gz CZCJPIBXGSPXGT-NSHDSACASA-N 1 0 291.351 2.959 40 0 CFABRO c1nc2ccccc2n1-c1cccc(CC2CC[NH2+]CC2)n1 ZINC000585263120 348738974 /nfs/dbraw/zinc/73/89/74/348738974.db2.gz MMZOVNNHUYOSIV-UHFFFAOYSA-N 1 0 292.386 2.963 40 0 CFABRO C[N@H+]1C[C@H]2c3ccccc3[C@@H](NC(=O)C(C)(C)C)[C@H]2C1 ZINC000585109331 348734277 /nfs/dbraw/zinc/73/42/77/348734277.db2.gz JQWFYRISVXHERZ-SOUVJXGZSA-N 1 0 272.392 2.549 40 0 CFABRO COCC[C@@H]1CCOC12CC[NH+](Cc1ccoc1)CC2 ZINC000585102607 348734518 /nfs/dbraw/zinc/73/45/18/348734518.db2.gz CABCSTGVFSCAFZ-OAHLLOKOSA-N 1 0 279.380 2.687 40 0 CFABRO c1nn(CCOCc2ccccc2)cc1C1CC[NH2+]CC1 ZINC000585143018 348737315 /nfs/dbraw/zinc/73/73/15/348737315.db2.gz OFFMQDWLSVHUKN-UHFFFAOYSA-N 1 0 285.391 2.567 40 0 CFABRO CCC(=O)N1CC[C@@]2(c3ccccc3)CC[N@@H+](CC)[C@H]2C1 ZINC000107805956 186193103 /nfs/dbraw/zinc/19/31/03/186193103.db2.gz RIUVUINPIUCPPW-FUHWJXTLSA-N 1 0 286.419 2.661 40 0 CFABRO Cc1cc(F)ccc1C[N@@H+]1CCC[C@@]2(CCNC2=O)CC1 ZINC000108525135 186221013 /nfs/dbraw/zinc/22/10/13/186221013.db2.gz LVYFCSKPIVTKSR-QGZVFWFLSA-N 1 0 290.382 2.626 40 0 CFABRO O=C1NCC[C@]12CCC[N@@H+](Cc1ccc(Cl)cc1)CC2 ZINC000108535254 186221890 /nfs/dbraw/zinc/22/18/90/186221890.db2.gz STDMBEIVWXSYQL-INIZCTEOSA-N 1 0 292.810 2.832 40 0 CFABRO CCNc1nc(NCc2ccccc2C)cc(C2CC2)[nH+]1 ZINC000328971276 202135126 /nfs/dbraw/zinc/13/51/26/202135126.db2.gz DPNULFNNSGWJED-UHFFFAOYSA-N 1 0 282.391 2.550 40 0 CFABRO CCNc1nc(NCc2cccc(C)c2)cc(C2CC2)[nH+]1 ZINC000328980817 202139328 /nfs/dbraw/zinc/13/93/28/202139328.db2.gz GPQFBCJGRRWPJX-UHFFFAOYSA-N 1 0 282.391 2.550 40 0 CFABRO CCC[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]1 ZINC000217781923 283974061 /nfs/dbraw/zinc/97/40/61/283974061.db2.gz HWUVXOQVFBHOEH-NEPJUHHUSA-N 1 0 256.390 2.679 40 0 CFABRO CC(C)c1ccccc1OC[C@H](O)C[NH2+]C(C)(C)C ZINC000001475847 371677197 /nfs/dbraw/zinc/67/71/97/371677197.db2.gz OFIYZEPOBFDEAD-CYBMUJFWSA-N 1 0 265.397 2.938 40 0 CFABRO CC[NH+](CC)CCc1c[nH]c2cccc(OC(C)=O)c12 ZINC000002539026 371734769 /nfs/dbraw/zinc/73/47/69/371734769.db2.gz WYEVVQJLTXBMPM-UHFFFAOYSA-N 1 0 274.364 2.978 40 0 in-vitro CFABRO Cc1ccc(C(=O)CSC2=[NH+]CCN2)cc1Cl ZINC000001591220 371684651 /nfs/dbraw/zinc/68/46/51/371684651.db2.gz DZKNLHMLLFLQQO-UHFFFAOYSA-N 1 0 268.769 2.524 40 0 CFABRO CC[NH+](CC)CCCCCOC(=O)c1cccc(N)c1 ZINC000001669884 371694316 /nfs/dbraw/zinc/69/43/16/371694316.db2.gz NDQVIASWDDKZKH-UHFFFAOYSA-N 1 0 278.396 2.938 40 0 CFABRO CC[NH+](CC)CC(=O)Nc1cc(Cl)ccc1C ZINC000001671435 371695299 /nfs/dbraw/zinc/69/52/99/371695299.db2.gz ZBZXTCWTPKUIOB-UHFFFAOYSA-N 1 0 254.761 2.929 40 0 CFABRO CSc1[nH][nH+]c(N(C(C)C)C(C)C)c2ncnc1-2 ZINC000001692106 371699022 /nfs/dbraw/zinc/69/90/22/371699022.db2.gz VWWXNIROLRUVKC-UHFFFAOYSA-N 1 0 265.386 2.698 40 0 CFABRO CC[C@H](OC[C@@H](O)C[NH2+]C(C)C)c1ccccc1 ZINC000002694589 371745929 /nfs/dbraw/zinc/74/59/29/371745929.db2.gz XECFMMKOXGMUIT-GJZGRUSLSA-N 1 0 251.370 2.513 40 0 CFABRO C[C@@H]1CCC[C@H]1OC[C@H](O)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000010434807 371908144 /nfs/dbraw/zinc/90/81/44/371908144.db2.gz YNHPVKYUSWWEAF-YIDVYQOGSA-N 1 0 269.429 2.530 40 0 CFABRO COc1ccccc1C1([NH2+]Cc2cnn(C)c2)CCCC1 ZINC000012292861 371949883 /nfs/dbraw/zinc/94/98/83/371949883.db2.gz CIVWLZFNIVCDKP-UHFFFAOYSA-N 1 0 285.391 2.988 40 0 CFABRO Cc1ccc(C(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000013673776 372039827 /nfs/dbraw/zinc/03/98/27/372039827.db2.gz QDCIYDBPXASEMG-UHFFFAOYSA-N 1 0 260.381 2.601 40 0 CFABRO Cc1ccc(NC(=S)NCCC[NH+]2CCCC2)cc1 ZINC000018168463 372141992 /nfs/dbraw/zinc/14/19/92/372141992.db2.gz HQGQGGHWFFDMJS-UHFFFAOYSA-N 1 0 277.437 2.767 40 0 CFABRO CC(=O)NC1CC[NH+](CC2(c3ccc(C)cc3)CC2)CC1 ZINC000019208323 372151031 /nfs/dbraw/zinc/15/10/31/372151031.db2.gz XOLJXDGMBRUGGE-UHFFFAOYSA-N 1 0 286.419 2.627 40 0 CFABRO Nc1ccccc1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000019399038 372159481 /nfs/dbraw/zinc/15/94/81/372159481.db2.gz HUHUJUYJPUPUFO-UHFFFAOYSA-N 1 0 281.403 2.587 40 0 CFABRO C[C@H](Cn1cccn1)[NH2+]Cc1cn(C)c2cc(F)ccc12 ZINC000019457688 372165257 /nfs/dbraw/zinc/16/52/57/372165257.db2.gz LOIJKOCJTAAEHW-GFCCVEGCSA-N 1 0 286.354 2.692 40 0 CFABRO COc1ccccc1/C=C/CN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000019575034 372176034 /nfs/dbraw/zinc/17/60/34/372176034.db2.gz GSCZTLGLYFMIST-XNHCWWPPSA-N 1 0 286.419 2.877 40 0 CFABRO Cc1ccccc1[C@H]([NH3+])CNC(=O)OC(C)(C)C ZINC000019796163 372189629 /nfs/dbraw/zinc/18/96/29/372189629.db2.gz DOJDUUSAAOLWAQ-GFCCVEGCSA-N 1 0 250.342 2.520 40 0 CFABRO c1ccc2c(c1)CCN[C@H]2[C@H]1[NH2+]CCc2ccccc21 ZINC000023477233 372260712 /nfs/dbraw/zinc/26/07/12/372260712.db2.gz NDHNLLQPMVDMRO-HDICACEKSA-N 1 0 264.372 2.760 40 0 CFABRO c1ccc(O[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)cc1 ZINC000031759380 372417213 /nfs/dbraw/zinc/41/72/13/372417213.db2.gz DVPJJTVPVSGTRA-JKSUJKDBSA-N 1 0 261.365 2.709 40 0 CFABRO CCC(C)(C)OC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000028295252 372364486 /nfs/dbraw/zinc/36/44/86/372364486.db2.gz NOKMVAIAFJMYST-MRXNPFEDSA-N 1 0 277.408 2.611 40 0 CFABRO Fc1ccccc1-c1noc(NCCC[NH+]2CCCC2)n1 ZINC000033265819 372487946 /nfs/dbraw/zinc/48/79/46/372487946.db2.gz OFZOUXYADRTJCN-UHFFFAOYSA-N 1 0 290.342 2.774 40 0 CFABRO CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1OC[C@@H](O)C[NH+]1CCCC1 ZINC000033534710 372495719 /nfs/dbraw/zinc/49/57/19/372495719.db2.gz XMEQDPKFUATABQ-LJIGWXMPSA-N 1 0 281.440 2.675 40 0 CFABRO CCOc1ccccc1[C@@H](C[NH3+])N1CCC[C@H](C)C1 ZINC000036092740 372556503 /nfs/dbraw/zinc/55/65/03/372556503.db2.gz BIRDXGURJZQORM-DZGCQCFKSA-N 1 0 262.397 2.817 40 0 CFABRO [NH3+]Cc1ccc(OCC(=O)Nc2ccccc2Cl)cc1 ZINC000036720724 372586329 /nfs/dbraw/zinc/58/63/29/372586329.db2.gz YVVAXEQIEMJFEC-UHFFFAOYSA-N 1 0 290.750 2.816 40 0 CFABRO FC(F)(F)c1cnc(N[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000040435001 372781974 /nfs/dbraw/zinc/78/19/74/372781974.db2.gz OZXFXEGDSXRVBH-MRVPVSSYSA-N 1 0 279.693 2.918 40 0 CFABRO CC[NH2+][C@H](C)C(=O)c1ccc(Br)cc1 ZINC000041609146 372852507 /nfs/dbraw/zinc/85/25/07/372852507.db2.gz QHHVZFYRRDYLJB-MRVPVSSYSA-N 1 0 256.143 2.630 40 0 in-vitro CFABRO CC(C)(C)OC(=O)CC[NH2+]CCc1ccc(F)cc1 ZINC000047218992 373084269 /nfs/dbraw/zinc/08/42/69/373084269.db2.gz ZYKLBDVUYDGMBM-UHFFFAOYSA-N 1 0 267.344 2.690 40 0 CFABRO c1ccc(-c2nnc([C@H]3CC[N@@H+](C4CCOCC4)C3)o2)cc1 ZINC000049169362 373273143 /nfs/dbraw/zinc/27/31/43/373273143.db2.gz BJGULRSKORFTAA-AWEZNQCLSA-N 1 0 299.374 2.705 40 0 biogenic,in-vitro CFABRO CC(C)(C)c1nnc([C@H]2CC[N@H+](Cc3ccncc3)C2)o1 ZINC000049170660 373275554 /nfs/dbraw/zinc/27/55/54/373275554.db2.gz DKRKHEWOWZXQKY-ZDUSSCGKSA-N 1 0 286.379 2.752 40 0 biogenic,in-vitro CFABRO CCCNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000052816731 373451446 /nfs/dbraw/zinc/45/14/46/373451446.db2.gz GFDVRNSVCRVSPO-UHFFFAOYSA-N 1 0 289.423 2.882 40 0 CFABRO [NH3+][C@@H](c1ccccc1)c1cncc(Br)c1 ZINC000057343887 373587986 /nfs/dbraw/zinc/58/79/86/373587986.db2.gz RJPSANYVKQLMSV-LBPRGKRZSA-N 1 0 263.138 2.892 40 0 CFABRO COc1cccc(C[NH2+]CC(=O)N2[C@H](C)CCC[C@H]2C)c1 ZINC000057466988 373594389 /nfs/dbraw/zinc/59/43/89/373594389.db2.gz MJPOGXNGYJYFPQ-ZIAGYGMSSA-N 1 0 290.407 2.574 40 0 CFABRO Cc1ccc(C[NH2+]CC(=O)NCC2CCCCC2)cc1 ZINC000057698413 373608946 /nfs/dbraw/zinc/60/89/46/373608946.db2.gz ZWWZLCZPSZZCQG-UHFFFAOYSA-N 1 0 274.408 2.781 40 0 CFABRO Fc1ccc(-c2noc(C3CC[NH2+]CC3)n2)c(Cl)c1 ZINC000061845084 373732667 /nfs/dbraw/zinc/73/26/67/373732667.db2.gz LZJIDNDQPDVYDE-UHFFFAOYSA-N 1 0 281.718 2.996 40 0 CFABRO C[NH+]1CCC(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000074713347 374434663 /nfs/dbraw/zinc/43/46/63/374434663.db2.gz HDVFKDCTFBLIGZ-UHFFFAOYSA-N 1 0 252.745 2.620 40 0 CFABRO Cc1cc(N)nc(N2CCC(Cc3ccccc3)CC2)[nH+]1 ZINC000074934114 374447836 /nfs/dbraw/zinc/44/78/36/374447836.db2.gz DKUXBODWPJEZST-UHFFFAOYSA-N 1 0 282.391 2.826 40 0 CFABRO CC(C)[C@H]([NH3+])C(=O)N(C)Cc1c(Cl)cccc1Cl ZINC000079420354 374609251 /nfs/dbraw/zinc/60/92/51/374609251.db2.gz SFAYRJGMRCFOSR-LBPRGKRZSA-N 1 0 289.206 2.935 40 0 CFABRO CC(C)[C@H]([NH3+])C(=O)NCc1c(Cl)cccc1Cl ZINC000079420342 374610550 /nfs/dbraw/zinc/61/05/50/374610550.db2.gz AGLAZYNNNCSGAK-NSHDSACASA-N 1 0 275.179 2.593 40 0 CFABRO O=C(OCc1ccccc1)N1CCC[C@H](C[NH2+]C2CC2)C1 ZINC000079437286 374612721 /nfs/dbraw/zinc/61/27/21/374612721.db2.gz YAERNHAOGDITIU-OAHLLOKOSA-N 1 0 288.391 2.787 40 0 CFABRO CC(C)(C)OC(=O)N1CC[NH2+][C@H](CCc2ccccc2)C1 ZINC000082049757 374724480 /nfs/dbraw/zinc/72/44/80/374724480.db2.gz ZYBNWWDFSZMFFA-OAHLLOKOSA-N 1 0 290.407 2.828 40 0 CFABRO COc1ccc(NC(=O)[C@@H]2CCC[N@H+](C)C2)cc1Cl ZINC000082325285 374735826 /nfs/dbraw/zinc/73/58/26/374735826.db2.gz YSSVMAFHWYJQSN-SNVBAGLBSA-N 1 0 282.771 2.629 40 0 CFABRO Cc1ccsc1[C@@H](C)[NH2+]CC[C@H](C)[S@](C)=O ZINC000090517348 375018446 /nfs/dbraw/zinc/01/84/46/375018446.db2.gz RQXJMLJYZDTQFO-LYOVBCGYSA-N 1 0 259.440 2.864 40 0 CFABRO O=C1N(CC2CC2)c2ccccc2[C@]12CC[N@H+](CC1CC1)C2 ZINC000096100339 375468174 /nfs/dbraw/zinc/46/81/74/375468174.db2.gz CLOHBQFLAQSWHV-LJQANCHMSA-N 1 0 296.414 2.797 40 0 CFABRO CC[N@@H+]1CC[C@]12CCN(C(=O)c1cnc3ccccc3c1)C2 ZINC000096075912 375468220 /nfs/dbraw/zinc/46/82/20/375468220.db2.gz FCHXYHNPZGSQQL-SFHVURJKSA-N 1 0 295.386 2.545 40 0 CFABRO CCCCCn1cc(-c2nc(C[NH3+])cs2)cn1 ZINC000095093935 375413006 /nfs/dbraw/zinc/41/30/06/375413006.db2.gz WUQFFLVOPNDCDQ-UHFFFAOYSA-N 1 0 250.371 2.656 40 0 CFABRO [NH3+]C[C@@H](c1ccc(OC(F)(F)F)cc1)N1CCCC1 ZINC000095098743 375416297 /nfs/dbraw/zinc/41/62/97/375416297.db2.gz JTYBDNYRPPLXEW-LBPRGKRZSA-N 1 0 274.286 2.681 40 0 CFABRO Cc1cccc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2ccccn2)n1 ZINC000096184720 375474765 /nfs/dbraw/zinc/47/47/65/375474765.db2.gz VGMMNRHFPGMNPO-IRXDYDNUSA-N 1 0 294.402 2.638 40 0 CFABRO Cc1ccsc1C(=O)N1CC[C@H]2[C@H]1CC[N@@H+]2CC1CC1 ZINC000096184416 375475184 /nfs/dbraw/zinc/47/51/84/375475184.db2.gz BYAOAOJOFVSJQN-UONOGXRCSA-N 1 0 290.432 2.755 40 0 CFABRO Cc1nc(CN2CC[C@@H]3[C@@H]2CC[N@@H+]3CC2CC2)cs1 ZINC000096184393 375475372 /nfs/dbraw/zinc/47/53/72/375475372.db2.gz TYVSDYQYCMVIRR-CABCVRRESA-N 1 0 277.437 2.510 40 0 CFABRO O=C(N[C@H]1CC[C@H]([NH2+]C2CC2)CC1)OCc1ccccc1 ZINC000100177487 375614956 /nfs/dbraw/zinc/61/49/56/375614956.db2.gz VDKAZZIEOSJCOC-IYBDPMFKSA-N 1 0 288.391 2.976 40 0 CFABRO COc1cc(C[NH2+]Cc2ccc(F)s2)ccc1O ZINC000256054651 190005362 /nfs/dbraw/zinc/00/53/62/190005362.db2.gz XEOQVSOYRIPJPY-UHFFFAOYSA-N 1 0 267.325 2.891 40 0 CFABRO CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+]C2CCOCC2)CC1 ZINC000100809422 375628652 /nfs/dbraw/zinc/62/86/52/375628652.db2.gz ITOPAWCSWDKAHS-BETUJISGSA-N 1 0 298.427 2.591 40 0 CFABRO Cn1nc(C(F)(F)F)cc1C[NH2+]CCc1ccccc1 ZINC000256052218 190004474 /nfs/dbraw/zinc/00/44/74/190004474.db2.gz MLAITPFMSTXTLJ-UHFFFAOYSA-N 1 0 283.297 2.771 40 0 CFABRO Cc1cnc([C@H]2C[N@@H+](C3CCCCCC3)CCO2)cn1 ZINC000257201717 190011133 /nfs/dbraw/zinc/01/11/33/190011133.db2.gz AITACIPVHORDFN-MRXNPFEDSA-N 1 0 275.396 2.881 40 0 CFABRO Cc1n[nH]cc1-c1nccnc1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000257209944 190012332 /nfs/dbraw/zinc/01/23/32/190012332.db2.gz BSMWJZJQMGICDD-CQSZACIVSA-N 1 0 299.422 2.838 40 0 CFABRO Cc1cnc(C2(C)CC[NH+](C3CCOCC3)CC2)s1 ZINC000257225467 190015652 /nfs/dbraw/zinc/01/56/52/190015652.db2.gz FGHYBWBEXDUZSR-UHFFFAOYSA-N 1 0 280.437 2.984 40 0 CFABRO Cc1cc(C)nc([C@H]2CC[N@H+](Cc3ncccc3C)C2)n1 ZINC000257254249 190020775 /nfs/dbraw/zinc/02/07/75/190020775.db2.gz KCIBXFXBRYFYBJ-HNNXBMFYSA-N 1 0 282.391 2.786 40 0 CFABRO Cc1cc(C)nc(Nc2cccc(C3CC[NH2+]CC3)n2)n1 ZINC000257253503 190020837 /nfs/dbraw/zinc/02/08/37/190020837.db2.gz JZELLENZPRBRQQ-UHFFFAOYSA-N 1 0 283.379 2.699 40 0 CFABRO CC(C)[NH+]1CC2(C1)CO[C@H](Cc1cccc(F)c1)C2 ZINC000257235480 190017386 /nfs/dbraw/zinc/01/73/86/190017386.db2.gz GYAQMPVTWAXYIH-OAHLLOKOSA-N 1 0 263.356 2.868 40 0 CFABRO COc1ccccc1[C@@H]1C[NH2+]CCN1Cc1ccc(C)nc1 ZINC000257239199 190017530 /nfs/dbraw/zinc/01/75/30/190017530.db2.gz HOIIARYTTHXBIR-KRWDZBQOSA-N 1 0 297.402 2.545 40 0 CFABRO c1ccc2ncc(C[C@@H]3COC4(C3)CC[NH2+]CC4)cc2c1 ZINC000257253262 190020955 /nfs/dbraw/zinc/02/09/55/190020955.db2.gz JYEKXVBBAUQBDT-HNNXBMFYSA-N 1 0 282.387 2.936 40 0 CFABRO Cc1c[nH]nc1[C@@H]1CC[N@H+](CCOc2ccc(F)cc2)C1 ZINC000257248993 190020275 /nfs/dbraw/zinc/02/02/75/190020275.db2.gz JGFDVILQQOYRBQ-CYBMUJFWSA-N 1 0 289.354 2.726 40 0 CFABRO Cc1csc(Nc2cc(C)nc([C@@H]3CCC[NH2+]C3)n2)n1 ZINC000257283397 190026059 /nfs/dbraw/zinc/02/60/59/190026059.db2.gz OYCXMQYUVJKMDN-LLVKDONJSA-N 1 0 289.408 2.761 40 0 CFABRO Cc1cccnc1Nc1cc([C@@H]2CCC[NH2+]2)ccn1 ZINC000257284225 190026490 /nfs/dbraw/zinc/02/64/90/190026490.db2.gz PBUJJDDKOOELBU-ZDUSSCGKSA-N 1 0 254.337 2.953 40 0 CFABRO c1ncc(C[N@H+]2CCC[C@H](Cc3ccccn3)C2)s1 ZINC000257306991 190031418 /nfs/dbraw/zinc/03/14/18/190031418.db2.gz SWUVDBVJVRDCBA-CYBMUJFWSA-N 1 0 273.405 2.993 40 0 CFABRO CC(C)[NH+]1CCC(Cc2cnc(-c3cn[nH]c3)cn2)CC1 ZINC000257292362 190027796 /nfs/dbraw/zinc/02/77/96/190027796.db2.gz QLDHRVKREVAQOF-UHFFFAOYSA-N 1 0 285.395 2.530 40 0 CFABRO CC(C)n1nccc1C[N@@H+]1CCC[C@@H](c2cnccn2)C1 ZINC000257293263 190028257 /nfs/dbraw/zinc/02/82/57/190028257.db2.gz QOTGAVSTUFHBLN-CQSZACIVSA-N 1 0 285.395 2.634 40 0 CFABRO CC(C)n1ccnc1CN1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000257300056 190029270 /nfs/dbraw/zinc/02/92/70/190029270.db2.gz RSSHOIAWCDJONI-MRXNPFEDSA-N 1 0 284.407 2.611 40 0 CFABRO Cc1ncc(-c2nccnc2[C@@H]2CCC[N@@H+](C(C)C)C2)n1C ZINC000257298572 190029429 /nfs/dbraw/zinc/02/94/29/190029429.db2.gz RMIBPNNTSWYKLT-CQSZACIVSA-N 1 0 299.422 2.773 40 0 CFABRO CCn1cc(C[N@@H+]2CCC[C@H](c3ccnc(NC)c3)C2)cn1 ZINC000257298091 190029699 /nfs/dbraw/zinc/02/96/99/190029699.db2.gz RKCHYZGFQJOMPX-INIZCTEOSA-N 1 0 299.422 2.719 40 0 CFABRO C[N@@H+]1CC[C@@H](Cc2cccc(-c3nccs3)n2)C1 ZINC000257312540 190031984 /nfs/dbraw/zinc/03/19/84/190031984.db2.gz UOLAQFIRKVZIDE-NSHDSACASA-N 1 0 259.378 2.699 40 0 CFABRO Cc1cc(C)nc([C@@H]2CC[N@H+](CC3(O)CCCCC3)C2)n1 ZINC000257316630 190033013 /nfs/dbraw/zinc/03/30/13/190033013.db2.gz VGJSZIXGPASHIU-OAHLLOKOSA-N 1 0 289.423 2.578 40 0 CFABRO Cc1ccnc([C@@H]2CC[N@H+](CCc3ccccc3)C2)n1 ZINC000257316343 190033048 /nfs/dbraw/zinc/03/30/48/190033048.db2.gz VFDYRHKPDYQOEQ-MRXNPFEDSA-N 1 0 267.376 2.817 40 0 CFABRO Cc1cc(-c2cncc([C@H]3CCC[N@@H+](C(C)C)C3)n2)n[nH]1 ZINC000257335656 190036379 /nfs/dbraw/zinc/03/63/79/190036379.db2.gz YLGBBTMOEYORFG-ZDUSSCGKSA-N 1 0 285.395 2.763 40 0 CFABRO CCc1n[n+]2c(nc(-c3ccccc3)cc2C)s1 ZINC000000391055 169627644 /nfs/dbraw/zinc/62/76/44/169627644.db2.gz BYTSRSOFVTZTIA-UHFFFAOYSA-N 1 0 256.354 2.815 40 0 CFABRO COCC[C@H]1CO[C@H]2C[N@H+](Cc3ccccc3Cl)C[C@@H]12 ZINC000306126922 382453215 /nfs/dbraw/zinc/45/32/15/382453215.db2.gz FJEYBPVZVAKOJA-DZKIICNBSA-N 1 0 295.810 2.823 40 0 CFABRO Fc1cccc(NC(=S)NCCC[NH+]2CCCC2)c1 ZINC000225433296 382815925 /nfs/dbraw/zinc/81/59/25/382815925.db2.gz OXTQBQISIKITTQ-UHFFFAOYSA-N 1 0 281.400 2.598 40 0 CFABRO CCOc1ccccc1N1CC[NH2+][C@H]2CCCC[C@@H]21 ZINC000225713368 382820761 /nfs/dbraw/zinc/82/07/61/382820761.db2.gz ZAYGWVLLACKDBC-KBPBESRZSA-N 1 0 260.381 2.806 40 0 CFABRO CCc1ccc2c(c1)C(=O)CC1(CC[NH+](C)CC1)O2 ZINC000225817471 382822253 /nfs/dbraw/zinc/82/22/53/382822253.db2.gz TWQXAHYVIYBDKL-UHFFFAOYSA-N 1 0 259.349 2.679 40 0 CFABRO COc1ccc([C@H](C)N2CC[NH2+][C@H]3CCCC[C@@H]32)cc1 ZINC000242547822 382986540 /nfs/dbraw/zinc/98/65/40/382986540.db2.gz KUSCMGFHXLDZSL-JQFCIGGWSA-N 1 0 274.408 2.973 40 0 CFABRO C[NH2+][C@H]1CC[C@H](N(C(=O)OC(C)(C)C)C2CC2)CC1 ZINC000252518067 383416291 /nfs/dbraw/zinc/41/62/91/383416291.db2.gz YXTUHBFFHXRUKJ-HAQNSBGRSA-N 1 0 268.401 2.917 40 0 CFABRO [NH3+][C@H]1C[C@H](Oc2ccc(OC(F)(F)F)c(F)c2)C1 ZINC000250753287 383379967 /nfs/dbraw/zinc/37/99/67/383379967.db2.gz PKPIAIALGWAQBQ-FKQCQYRASA-N 1 0 265.206 2.593 40 0 CFABRO CC(C)(C)OC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3[NH2+]C2 ZINC000254286915 383466167 /nfs/dbraw/zinc/46/61/67/383466167.db2.gz VXKTZAFQYPVEQY-OZTPJHRESA-N 1 0 266.385 2.526 40 0 CFABRO CNc1nc([C@H]2CC[N@@H+](C(C)C)C2)cn2cccc12 ZINC000257327451 383494342 /nfs/dbraw/zinc/49/43/42/383494342.db2.gz XBKKPDPNYZYADB-LBPRGKRZSA-N 1 0 258.369 2.574 40 0 CFABRO Cc1ncc(-c2nccnc2C2CC[NH+](C(C)C)CC2)n1C ZINC000257288308 383494555 /nfs/dbraw/zinc/49/45/55/383494555.db2.gz PTRZYFKYQYPPKA-UHFFFAOYSA-N 1 0 299.422 2.773 40 0 CFABRO O=C(c1cccc(Cl)c1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000096268811 256793255 /nfs/dbraw/zinc/79/32/55/256793255.db2.gz JABUEGIZYNGFHT-UHFFFAOYSA-N 1 0 292.810 2.946 40 0 CFABRO CCC[NH+]1CCC(c2nc3ccc(C)cn3n2)CC1 ZINC000096260698 256837773 /nfs/dbraw/zinc/83/77/73/256837773.db2.gz ILADCNQVDOSIHG-UHFFFAOYSA-N 1 0 258.369 2.627 40 0 CFABRO CC(C)C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1CC1)C2 ZINC000004886564 393459708 /nfs/dbraw/zinc/45/97/08/393459708.db2.gz LOYQZZHIVVDLCI-GOOCMWNKSA-N 1 0 264.413 2.554 40 0 CFABRO CCCC[N@@H+]1CCC[C@@H]1c1cccnc1N1CCOCC1 ZINC000072216227 393644927 /nfs/dbraw/zinc/64/49/27/393644927.db2.gz GGZJFEUWMFNSKO-MRXNPFEDSA-N 1 0 289.423 2.855 40 0 CFABRO CCC[N@@H+]1CCC[C@H]1c1ccc(N2CCOCC2)nc1C ZINC000072219627 393646321 /nfs/dbraw/zinc/64/63/21/393646321.db2.gz FCYYZFVZEDTKBT-INIZCTEOSA-N 1 0 289.423 2.774 40 0 CFABRO O=C1[C@@H](C2CC[NH2+]CC2)CCCCN1Cc1ccccc1 ZINC000072353589 393650152 /nfs/dbraw/zinc/65/01/52/393650152.db2.gz OEIODIBLEAAOFZ-QGZVFWFLSA-N 1 0 286.419 2.815 40 0 CFABRO O=C1Oc2ccccc2[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000080274214 393725308 /nfs/dbraw/zinc/72/53/08/393725308.db2.gz BSSJUCACDKXHPW-JKSUJKDBSA-N 1 0 279.339 2.821 40 0 CFABRO O=C1OC[C@@H]2CC[N@H+](CC3CC3)Cc3ccccc3N12 ZINC000225482257 393769051 /nfs/dbraw/zinc/76/90/51/393769051.db2.gz OLTCJZPAHRXNGH-AWEZNQCLSA-N 1 0 272.348 2.628 40 0 biogenic,in-vitro CFABRO CC(C)(C)OC(=O)[C@@H](N)CCCCCCCCC[NH3+] ZINC000090609431 393780436 /nfs/dbraw/zinc/78/04/36/393780436.db2.gz ZMSPQQATWLAOSV-ZDUSSCGKSA-N 1 0 272.433 2.735 40 0 CFABRO CC[C@@H]1[N@H+](Cc2ccc(F)cc2)CCC[C@]12CCC(=O)N2 ZINC000096052396 393814903 /nfs/dbraw/zinc/81/49/03/393814903.db2.gz XHVCIJQZOOOMMH-RDJZCZTQSA-N 1 0 290.382 2.849 40 0 CFABRO CC[C@H]([C@@H]([NH3+])c1ccc(Cl)cc1)S(=O)(=O)CC ZINC000096524946 393838295 /nfs/dbraw/zinc/83/82/95/393838295.db2.gz OORNHKPDVJWOLI-NEPJUHHUSA-N 1 0 275.801 2.553 40 0 CFABRO C[C@@H]([C@@H]([NH3+])c1ccc(-c2ccccc2)cc1)S(C)(=O)=O ZINC000096524773 393838484 /nfs/dbraw/zinc/83/84/84/393838484.db2.gz HANFIRGTYIBHNI-BLLLJJGKSA-N 1 0 289.400 2.787 40 0 CFABRO CCCC[NH2+]C[C@H]1COc2cccc(OCC)c2O1 ZINC000005647473 170123527 /nfs/dbraw/zinc/12/35/27/170123527.db2.gz WKRAEDUMAWVCOC-LBPRGKRZSA-N 1 0 265.353 2.615 40 0 in-man CFABRO COC(=O)[C@@H]1C=CC[C@H]2CCCC[C@]12[NH+]1CCCC1 ZINC000005886761 170150340 /nfs/dbraw/zinc/15/03/40/170150340.db2.gz KGVIFVCQEQXNSN-IJEWVQPXSA-N 1 0 263.381 2.760 40 0 CFABRO c1ccc(CC[n+]2ccc(C3CCOCC3)cc2)nc1 ZINC000008701004 170346827 /nfs/dbraw/zinc/34/68/27/170346827.db2.gz NBIPIFNPWRSZMC-UHFFFAOYSA-N 1 0 269.368 2.506 40 0 CFABRO COc1cc(C=O)ccc1OCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000009261308 170369231 /nfs/dbraw/zinc/36/92/31/170369231.db2.gz UHWHRUXWSVWVIU-KBPBESRZSA-N 1 0 291.391 2.864 40 0 CFABRO C[C@@H]1C[C@@H](C)C[NH+](C[C@@H](O)COc2ccc(F)cc2)C1 ZINC000012170046 170471747 /nfs/dbraw/zinc/47/17/47/170471747.db2.gz JFVBJQRIVRCLHX-UMVBOHGHSA-N 1 0 281.371 2.543 40 0 CFABRO C[C@@H](NC(=O)c1ccc(C[NH+]2CCCC2)o1)c1ccncc1 ZINC000019459797 170804008 /nfs/dbraw/zinc/80/40/08/170804008.db2.gz LCIFEEXMIKUWTN-CYBMUJFWSA-N 1 0 299.374 2.761 40 0 CFABRO Cc1ccc(Cl)cc1NC(=O)C1CC[NH2+]CC1 ZINC000019488592 170813884 /nfs/dbraw/zinc/81/38/84/170813884.db2.gz BSPBXVDYXMOHAN-UHFFFAOYSA-N 1 0 252.745 2.587 40 0 CFABRO [NH3+]Cc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 ZINC000020224341 171086791 /nfs/dbraw/zinc/08/67/91/171086791.db2.gz WBMIFWJROHKFCN-UHFFFAOYSA-N 1 0 274.751 2.980 40 0 CFABRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccco1 ZINC000030555710 171618579 /nfs/dbraw/zinc/61/85/79/171618579.db2.gz ZHOLNUGXZSXXIT-UHFFFAOYSA-N 1 0 284.359 2.805 40 0 CFABRO CNc1ccc(-c2noc([C@@H]3CCC[N@@H+]3C3CCC3)n2)cn1 ZINC000035426207 172193908 /nfs/dbraw/zinc/19/39/08/172193908.db2.gz FKBJCNBFCIPZIN-ZDUSSCGKSA-N 1 0 299.378 2.863 40 0 biogenic,in-vitro CFABRO CCN(CC[NH+](CC)CC)C(=O)c1ccc(F)cc1 ZINC000035585791 172284974 /nfs/dbraw/zinc/28/49/74/172284974.db2.gz RFGDESFHCXFMIA-UHFFFAOYSA-N 1 0 266.360 2.630 40 0 CFABRO C[NH+](C)CCNC(=O)CCc1ccc(Cl)cc1Cl ZINC000044596886 175215147 /nfs/dbraw/zinc/21/51/47/175215147.db2.gz ZYDBVOOSVTVXBP-UHFFFAOYSA-N 1 0 289.206 2.604 40 0 CFABRO Clc1ccc(CN[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000072203584 176341678 /nfs/dbraw/zinc/34/16/78/176341678.db2.gz VDYPMCPNIXZKAE-NSHDSACASA-N 1 0 259.180 2.835 40 0 CFABRO CCc1nccn1-c1cncc([C@@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000072355530 176374633 /nfs/dbraw/zinc/37/46/33/176374633.db2.gz YBNNBJFEKAMTQC-CQSZACIVSA-N 1 0 299.422 2.813 40 0 CFABRO Cc1ccccc1-c1cncc(C2CC[NH+](CCO)CC2)n1 ZINC000072359284 176376902 /nfs/dbraw/zinc/37/69/02/176376902.db2.gz NCRMGQKCCBINKG-UHFFFAOYSA-N 1 0 297.402 2.624 40 0 CFABRO COc1ccccc1-c1cncc([C@@H]2CCC[N@H+](C)C2)n1 ZINC000072359273 176376955 /nfs/dbraw/zinc/37/69/55/176376955.db2.gz HFSDQNBLZIXDMW-CYBMUJFWSA-N 1 0 283.375 2.961 40 0 CFABRO Cc1ccc([C@@H]2CCC[N@@H+](Cc3cnn(C)c3)C2)nc1 ZINC000072364262 176378958 /nfs/dbraw/zinc/37/89/58/176378958.db2.gz PESKQNCYWFWMCT-OAHLLOKOSA-N 1 0 270.380 2.503 40 0 CFABRO c1cncc(CNc2cc([C@@H]3CCC[NH2+]3)ccn2)c1 ZINC000072386504 176391390 /nfs/dbraw/zinc/39/13/90/176391390.db2.gz JXVKLCSSUSQWPO-AWEZNQCLSA-N 1 0 254.337 2.513 40 0 CFABRO Fc1ccc(-c2cnc([C@H]3CCC[NH2+]C3)cn2)cc1F ZINC000072386776 176392318 /nfs/dbraw/zinc/39/23/18/176392318.db2.gz LDEKTZQDLVVGAG-NSHDSACASA-N 1 0 275.302 2.889 40 0 CFABRO Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2cccnc2)on1 ZINC000072395097 176394597 /nfs/dbraw/zinc/39/45/97/176394597.db2.gz MMUSCKHLCNDYOC-GOEBONIOSA-N 1 0 271.364 2.879 40 0 CFABRO OC1(c2cccnc2F)CC[NH+](Cc2ccccc2)CC1 ZINC000072398104 176396129 /nfs/dbraw/zinc/39/61/29/176396129.db2.gz FGIDTNBJNGARKC-UHFFFAOYSA-N 1 0 286.350 2.704 40 0 CFABRO OCCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000400950218 270330704 /nfs/dbraw/zinc/33/07/04/270330704.db2.gz FEFVJYKDFKODEW-UHFFFAOYSA-N 1 0 253.773 2.934 40 0 CFABRO C[C@@H](O)CC[NH2+][C@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000001666047 274265247 /nfs/dbraw/zinc/26/52/47/274265247.db2.gz YEUANSOODKQTER-ZTFGCOKTSA-N 1 0 285.387 2.822 40 0 CFABRO Cc1sc2nc(C(C)C)nc(N3CC[NH2+]CC3)c2c1C ZINC000013998672 274878633 /nfs/dbraw/zinc/87/86/33/274878633.db2.gz HFLLYKXUUOQKTF-UHFFFAOYSA-N 1 0 290.436 2.841 40 0 CFABRO O=C1Nc2ccccc2[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000066354625 275026127 /nfs/dbraw/zinc/02/61/27/275026127.db2.gz QDCNAGJMBCPFPL-JKSUJKDBSA-N 1 0 278.355 2.854 40 0 CFABRO CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@]1(CC[NH2+]1)CO2 ZINC000306145496 275830262 /nfs/dbraw/zinc/83/02/62/275830262.db2.gz GWFSTOKHSPYEII-HNNXBMFYSA-N 1 0 276.336 2.615 40 0 CFABRO Brc1ccc2c(c1)CCC[C@]21COCC[NH2+]1 ZINC000306145579 276767808 /nfs/dbraw/zinc/76/78/08/276767808.db2.gz IZTCDRXJLHSVRN-ZDUSSCGKSA-N 1 0 282.181 2.601 40 0 CFABRO CN1C[C@@H](c2ccc(OCc3ccccc3)cc2)[C@H]([NH3+])C1 ZINC000217662740 277195287 /nfs/dbraw/zinc/19/52/87/277195287.db2.gz JIEQVHZTOMPODJ-ZWKOTPCHSA-N 1 0 282.387 2.622 40 0 CFABRO CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1[NH2+]C1CC1 ZINC000079437073 278436780 /nfs/dbraw/zinc/43/67/80/278436780.db2.gz IMSIMDSWINKNOO-NWDGAFQWSA-N 1 0 254.374 2.574 40 0 CFABRO C[C@@H]1O[C@@H]2C[C@H](C(F)(F)F)C[C@H](C[NH3+])[C@H]2[C@@H]1C ZINC000252550342 279057063 /nfs/dbraw/zinc/05/70/63/279057063.db2.gz SJWHBLVDVMHUKH-YKXXYHOCSA-N 1 0 251.292 2.573 40 0 CFABRO Cc1c[nH]c(-c2cc([C@H]3CC[N@@H+](C(C)C)C3)nc(C)n2)n1 ZINC000257255748 280278732 /nfs/dbraw/zinc/27/87/32/280278732.db2.gz KIRUGUVSGTVCDX-ZDUSSCGKSA-N 1 0 285.395 2.681 40 0 CFABRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccc(Cl)cc1)[C@H]2O ZINC000005496148 290317042 /nfs/dbraw/zinc/31/70/42/290317042.db2.gz JHYHQSHIPRRIOZ-IGQOVBAYSA-N 1 0 251.757 2.651 40 0 CFABRO Cn1cc(Cc2ccccc2C(F)(F)F)[nH+]c1N ZINC000199550793 294241876 /nfs/dbraw/zinc/24/18/76/294241876.db2.gz IOPMHRHWGJLUHS-UHFFFAOYSA-N 1 0 255.243 2.612 40 0 CFABRO [NH3+]C[C@@H]1CCCN(Cc2c(F)cccc2Cl)C1 ZINC000049345421 527211687 /nfs/dbraw/zinc/21/16/87/527211687.db2.gz UJYCAZKOJAQSRZ-JTQLQIEISA-N 1 0 256.752 2.650 40 0 CFABRO Cc1c[nH]nc1[C@H]1CCCC[N@@H+]1CC1CCOCC1 ZINC000257296690 301033932 /nfs/dbraw/zinc/03/39/32/301033932.db2.gz RDYNTWPXYQLBSX-CQSZACIVSA-N 1 0 263.385 2.672 40 0 CFABRO Cc1cc(OC[C@H](O)C[NH+]2CCCC2)ccc1C(C)C ZINC000005023371 301377919 /nfs/dbraw/zinc/37/79/19/301377919.db2.gz LSNORDNYLOEQHB-OAHLLOKOSA-N 1 0 277.408 2.954 40 0 CFABRO [NH3+]C[C@@H](c1ccccc1Br)N1CCCC1 ZINC000019422237 303393896 /nfs/dbraw/zinc/39/38/96/303393896.db2.gz YVWHMADHZSEFOS-LBPRGKRZSA-N 1 0 269.186 2.545 40 0 CFABRO [NH3+]C[C@@H](c1ccccc1OC(F)(F)F)N1CCCC1 ZINC000022171620 303393998 /nfs/dbraw/zinc/39/39/98/303393998.db2.gz DBLNMSYTRCDYPT-NSHDSACASA-N 1 0 274.286 2.681 40 0 CFABRO OCC[NH+]1C[C@H]2[C@H](C1)C1c3ccccc3C2c2ccccc21 ZINC000072373696 304825646 /nfs/dbraw/zinc/82/56/46/304825646.db2.gz KUVXZEZFMDEAMY-VCAKUFKGSA-N 1 0 291.394 2.818 40 0 CFABRO CCNc1ncc(C[NH2+]Cc2ccc(C)cc2)cn1 ZINC000062717556 327914754 /nfs/dbraw/zinc/91/47/54/327914754.db2.gz ANICQKQWBZGEKJ-UHFFFAOYSA-N 1 0 256.353 2.507 40 0 CFABRO Cc1cc(C)nc(NCCC[NH2+]Cc2ccccc2)n1 ZINC000062717843 327915041 /nfs/dbraw/zinc/91/50/41/327915041.db2.gz SRUGIISBVFCHBF-UHFFFAOYSA-N 1 0 270.380 2.685 40 0 CFABRO Cc1cc(C)nc(NCC[NH2+]Cc2ccccc2Cl)n1 ZINC000062717864 333176061 /nfs/dbraw/zinc/17/60/61/333176061.db2.gz XUTFWLVOXXAYQY-UHFFFAOYSA-N 1 0 290.798 2.949 40 0 CFABRO O=C(Nc1cc(C(F)(F)F)ccc1F)C1CC[NH2+]CC1 ZINC000062657620 527103721 /nfs/dbraw/zinc/10/37/21/527103721.db2.gz FMKLJUPDEJSYKU-UHFFFAOYSA-N 1 0 290.260 2.783 40 0 CFABRO [NH3+][C@@H](Cc1ccccc1)c1nc(-c2cccs2)n[nH]1 ZINC000054700158 527337347 /nfs/dbraw/zinc/33/73/47/527337347.db2.gz KNHDSJBPQPZUSY-NSHDSACASA-N 1 0 270.361 2.776 40 0 CFABRO CCOc1cc(-c2nnc([C@@H]([NH3+])C(C)C)[nH]2)ccc1OC ZINC000095534809 185007844 /nfs/dbraw/zinc/00/78/44/185007844.db2.gz WVZVVEIPFWMZOR-ZDUSSCGKSA-N 1 0 290.367 2.535 40 0 CFABRO CC(C)CN1CCC2(CC[NH+](Cc3ccco3)CC2)C1=O ZINC000096046764 185071679 /nfs/dbraw/zinc/07/16/79/185071679.db2.gz JLLOVKVBKGDVSA-UHFFFAOYSA-N 1 0 290.407 2.750 40 0 CFABRO O=C1C[C@@]2(CC[N@H+](CC3CC3)C2)CN1c1cccc(F)c1 ZINC000096050752 185074238 /nfs/dbraw/zinc/07/42/38/185074238.db2.gz LONABQRVHGUBDU-QGZVFWFLSA-N 1 0 288.366 2.665 40 0 CFABRO Cc1ccc(C[NH+]2C[C@H]3CN(Cc4cccnc4)C[C@@H]3C2)o1 ZINC000096053730 185074865 /nfs/dbraw/zinc/07/48/65/185074865.db2.gz ZIDDQGPVLYOTBE-IAGOWNOFSA-N 1 0 297.402 2.547 40 0 CFABRO CCOC[C@@H]1C[N@H+](CC2CC2)Cc2ncn(CC3CC3)c21 ZINC000096060332 185081580 /nfs/dbraw/zinc/08/15/80/185081580.db2.gz PNZZQNZLIQPRKI-HNNXBMFYSA-N 1 0 289.423 2.639 40 0 CFABRO c1ncc2c(c1COCC1CC1)CC[N@H+](CC1CC1)C2 ZINC000096059318 185081996 /nfs/dbraw/zinc/08/19/96/185081996.db2.gz UTHHKNZLRVCNTM-UHFFFAOYSA-N 1 0 272.392 2.776 40 0 CFABRO Cc1ccc(C[N@@H+]2CC[C@@H](O)[C@@H]2Cc2ccccc2)o1 ZINC000096061558 185082928 /nfs/dbraw/zinc/08/29/28/185082928.db2.gz SOPZDXWXNDJUQV-DLBZAZTESA-N 1 0 271.360 2.766 40 0 CFABRO CC(C)[N@H+](C)Cc1cnc2n1CCN(CC1CC1)[C@@H]2C ZINC000096061998 185083430 /nfs/dbraw/zinc/08/34/30/185083430.db2.gz UEZLQMJQLAZMKW-CYBMUJFWSA-N 1 0 276.428 2.510 40 0 CFABRO Cn1ncc2c1C[N@H+](CC1CCC1)C[C@@H]2COCC1CC1 ZINC000096068279 185085860 /nfs/dbraw/zinc/08/58/60/185085860.db2.gz SZJYVYSOFAYKMH-OAHLLOKOSA-N 1 0 289.423 2.546 40 0 CFABRO COCC[C@@H]1CO[C@]2(CC[N@H+](Cc3ccccc3F)C2)C1 ZINC000096072045 185086800 /nfs/dbraw/zinc/08/68/00/185086800.db2.gz VQYUXQJJJXPFMF-WMLDXEAASA-N 1 0 293.382 2.843 40 0 CFABRO C[NH+]1CCC2(CCCN(C(=O)c3cccs3)C2)CC1 ZINC000096071782 185087243 /nfs/dbraw/zinc/08/72/43/185087243.db2.gz IFYVQTHVWOAYBJ-UHFFFAOYSA-N 1 0 278.421 2.696 40 0 CFABRO Cc1ccccc1C[NH+]1CC2(C1)CCN(C(=O)C(C)C)C2 ZINC000096070736 185087293 /nfs/dbraw/zinc/08/72/93/185087293.db2.gz RRUAEXHVFDOTGK-UHFFFAOYSA-N 1 0 286.419 2.685 40 0 CFABRO CO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccc(C)s1)C2 ZINC000096107180 185099882 /nfs/dbraw/zinc/09/98/82/185099882.db2.gz MFASKFUXRSOFJH-HIFRSBDPSA-N 1 0 281.421 2.826 40 0 CFABRO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCC[C@@H]2[NH3+] ZINC000096958589 185142132 /nfs/dbraw/zinc/14/21/32/185142132.db2.gz DCIGOSDVURTNCR-FZMZJTMJSA-N 1 0 254.374 2.515 40 0 CFABRO CCNc1nc(N2Cc3ccccc3C[C@H]2C)cc(C)[nH+]1 ZINC000329026534 136377598 /nfs/dbraw/zinc/37/75/98/136377598.db2.gz PMTGPNJGJQBHBA-CYBMUJFWSA-N 1 0 282.391 2.590 40 0 CFABRO CC(C)(C)OC(=O)NC12CCC([NH3+])(CC1)CCC2 ZINC000306145314 201846020 /nfs/dbraw/zinc/84/60/20/201846020.db2.gz BHMCDBJOLOYDLW-UHFFFAOYSA-N 1 0 254.374 2.705 40 0 CFABRO CC(=O)c1ccccc1OC[C@H](O)C[N@H+]1CCCC[C@H]1C ZINC000012438634 346231406 /nfs/dbraw/zinc/23/14/06/346231406.db2.gz SJVQHTYMNXUMKQ-UKRRQHHQSA-N 1 0 291.391 2.503 40 0 CFABRO C/C(=C\c1ccccc1)C[N@@H+]1CC[C@H]2NC(=O)CCC[C@H]21 ZINC000019713248 346242337 /nfs/dbraw/zinc/24/23/37/346242337.db2.gz ZXAJAUGLKPNKCP-SIMUAJLNSA-N 1 0 284.403 2.833 40 0 CFABRO Cc1csc([C@@H]2CCC[N@@H+](C3CCOCC3)C2)n1 ZINC000127583936 187318285 /nfs/dbraw/zinc/31/82/85/187318285.db2.gz GPENOXYBGBLDSE-GFCCVEGCSA-N 1 0 266.410 2.810 40 0 CFABRO c1ccc2[nH]c(CCC[NH2+]Cc3cccnc3)nc2c1 ZINC000062718641 346690721 /nfs/dbraw/zinc/69/07/21/346690721.db2.gz KPVDMFXYYLLJPK-UHFFFAOYSA-N 1 0 266.348 2.680 40 0 CFABRO Cc1cccnc1CN1CC[NH2+]C[C@H]1c1ccccc1 ZINC000086177840 179246727 /nfs/dbraw/zinc/24/67/27/179246727.db2.gz CXWXSZJRKWQXAG-KRWDZBQOSA-N 1 0 267.376 2.537 40 0 CFABRO COC(=O)c1ccc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(F)c1 ZINC000096311745 347701396 /nfs/dbraw/zinc/70/13/96/347701396.db2.gz BOOJHXDEMHXLPH-YOGCLGLASA-N 1 0 263.312 2.610 40 0 CFABRO C[C@H]1CC[NH2+]CC[C@@H]1CNC(=O)OCc1ccccc1 ZINC000110916029 347750851 /nfs/dbraw/zinc/75/08/51/347750851.db2.gz NMZLKIGYIWOAFQ-DZGCQCFKSA-N 1 0 276.380 2.549 40 0 CFABRO CCOC(=O)[C@H]1CC[NH2+][C@H]1c1ccccc1C(F)(F)F ZINC000257197841 348305925 /nfs/dbraw/zinc/30/59/25/348305925.db2.gz KQIRECSLHNZWMI-JQWIXIFHSA-N 1 0 287.281 2.919 40 0 CFABRO c1cc([C@@H](C2CCSCC2)N2CC[NH2+]CC2)cs1 ZINC000409439427 348602525 /nfs/dbraw/zinc/60/25/25/348602525.db2.gz HHVATLLMBKRKQK-CQSZACIVSA-N 1 0 282.478 2.838 40 0 CFABRO Cc1ccccc1O[C@@H]1CCC[C@H]([NH2+]CC(C)C)[C@H]1O ZINC000585288972 348738737 /nfs/dbraw/zinc/73/87/37/348738737.db2.gz LZWGQWWOCPVZIA-USXIJHARSA-N 1 0 277.408 2.901 40 0 CFABRO Cc1cc(C)c2[nH]c(=O)c(C[NH2+][C@H](CO)C(C)C)cc2c1 ZINC000585295120 348738764 /nfs/dbraw/zinc/73/87/64/348738764.db2.gz MLSQMWYZKZKJBU-OAHLLOKOSA-N 1 0 288.391 2.664 40 0 CFABRO Cc1cccc(O[C@@H]2CCC[C@H]([NH2+]C3CCC3)[C@H]2O)c1 ZINC000585289690 348738910 /nfs/dbraw/zinc/73/89/10/348738910.db2.gz VERMOCMQDRSHMO-GVDBMIGSSA-N 1 0 275.392 2.798 40 0 CFABRO CCCC[NH2+][C@H]1CCC[C@@H](Oc2cccc(F)c2)[C@@H]1O ZINC000585290356 348738977 /nfs/dbraw/zinc/73/89/77/348738977.db2.gz VEXAEJCYLBMYNW-ARFHVFGLSA-N 1 0 281.371 2.876 40 0 CFABRO CCOC[C@H]1CC[N@H+](C)C2(CN(Cc3ccsc3)C2)C1 ZINC000585103011 348734465 /nfs/dbraw/zinc/73/44/65/348734465.db2.gz OBFZRFDAPGMJRP-AWEZNQCLSA-N 1 0 294.464 2.681 40 0 CFABRO c1cc2n(n1)[C@@H](CC[NH+]1CCCC1)CN(C1CCCC1)C2 ZINC000585111748 348734589 /nfs/dbraw/zinc/73/45/89/348734589.db2.gz AKUBHLLESIXZLZ-KRWDZBQOSA-N 1 0 288.439 2.668 40 0 CFABRO Cc1ccc([C@@H](C)[NH2+]CC[C@H](C)[S@](C)=O)s1 ZINC000090515901 179996471 /nfs/dbraw/zinc/99/64/71/179996471.db2.gz RKHYJZHXIBQOFN-LYOVBCGYSA-N 1 0 259.440 2.864 40 0 CFABRO COC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1ccc(C)o1)C2 ZINC000107711042 186187672 /nfs/dbraw/zinc/18/76/72/186187672.db2.gz GKOXGLMHTKTTGE-CVEARBPZSA-N 1 0 279.380 2.606 40 0 CFABRO Cc1ccc(F)cc1C[N@@H+]1CCC[C@@]2(CCNC2=O)CC1 ZINC000108527004 186221460 /nfs/dbraw/zinc/22/14/60/186221460.db2.gz NRPAPJLPOQOVGR-QGZVFWFLSA-N 1 0 290.382 2.626 40 0 CFABRO C[NH+]1CCC(CCNC(=O)Cc2ccc(Cl)cc2)CC1 ZINC000156392360 188259642 /nfs/dbraw/zinc/25/96/42/188259642.db2.gz HLRSLJNNSWNGDY-UHFFFAOYSA-N 1 0 294.826 2.731 40 0 CFABRO CNc1nc(NCc2ccc(Cl)cc2)cc(C2CC2)[nH+]1 ZINC000329007560 202148879 /nfs/dbraw/zinc/14/88/79/202148879.db2.gz LKNUAUNMETWNGR-UHFFFAOYSA-N 1 0 288.782 2.505 40 0 CFABRO NC(=[NH2+])c1ccc(Br)c(C(F)(F)F)c1 ZINC000228917819 283262369 /nfs/dbraw/zinc/26/23/69/283262369.db2.gz LFVASSCGFVPLIF-UHFFFAOYSA-N 1 0 267.048 2.752 40 0 CFABRO C[N@@H+]1CCC[C@H](Cc2cccc(Br)n2)C1 ZINC000205698456 540880982 /nfs/dbraw/zinc/88/09/82/540880982.db2.gz KINSITRTXMZDAK-SNVBAGLBSA-N 1 0 269.186 2.728 40 0 CFABRO [NH3+]CCCc1c[nH]c2ccc(Br)cc12 ZINC000002534046 371733241 /nfs/dbraw/zinc/73/32/41/371733241.db2.gz MMVPOSHIIJONDU-UHFFFAOYSA-N 1 0 253.143 2.822 40 0 CFABRO C[N@H+]1[C@@H]2CC[C@H]1CC(OC(=O)/C=C/c1ccccc1)C2 ZINC000001609697 371686502 /nfs/dbraw/zinc/68/65/02/371686502.db2.gz WTIWQHQPUWFUPX-NUUMQCRXSA-N 1 0 271.360 2.868 40 0 biogenic,in-vitro CFABRO CCOc1ccc(C(=[NH2+])N2CCN(C)CC2)c2ccccc12 ZINC000001608873 371686899 /nfs/dbraw/zinc/68/68/99/371686899.db2.gz YLHVWNUOLALUSD-UHFFFAOYSA-N 1 0 297.402 2.811 40 0 CFABRO COc1ccccc1C[C@H]([NH3+])c1ccccc1OC ZINC000001634077 371690463 /nfs/dbraw/zinc/69/04/63/371690463.db2.gz KXVQWBRFAKVCSY-AWEZNQCLSA-N 1 0 257.333 2.946 40 0 CFABRO COc1ccc([C@@H](Cc2ccccc2)[NH2+][C@H](C)CO)cc1 ZINC000001667043 371694169 /nfs/dbraw/zinc/69/41/69/371694169.db2.gz ULKZYCNOFRSREB-RDTXWAMCSA-N 1 0 285.387 2.949 40 0 CFABRO CCCCC[NH2+]C[C@H](O)Cc1ccc(OCC)cc1 ZINC000001672743 371694763 /nfs/dbraw/zinc/69/47/63/371694763.db2.gz RXNGGPWQGKLOGA-OAHLLOKOSA-N 1 0 265.397 2.769 40 0 CFABRO CC[NH+](CC)CC(=O)Nc1cccc(C(=O)OC(C)C)c1 ZINC000001671746 371695248 /nfs/dbraw/zinc/69/52/48/371695248.db2.gz XAZMGXNNCAQFPQ-UHFFFAOYSA-N 1 0 292.379 2.532 40 0 CFABRO COc1ccc(CN[C@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1OC ZINC000004019249 371827797 /nfs/dbraw/zinc/82/77/97/371827797.db2.gz DAGGEUHIWOTDNG-IPYPFGDCSA-N 1 0 292.423 2.522 40 0 CFABRO Cc1cccc(OC[C@@H](O)C[N@H+]2CCCC[C@@H]2C)c1C ZINC000004305013 371848470 /nfs/dbraw/zinc/84/84/70/371848470.db2.gz WCIWGAPSFOBMTR-HOCLYGCPSA-N 1 0 277.408 2.918 40 0 CFABRO C[N@H+]1[C@@H]2CC[C@H]1CC(OC(=O)c1c[nH]c3ccccc13)C2 ZINC000004340278 371851416 /nfs/dbraw/zinc/85/14/16/371851416.db2.gz RIJFNUHYNBVLOZ-YOOVYSLHSA-N 1 0 284.359 2.655 40 0 in-vitro CFABRO CCc1ccc(C[C@@]2(O)C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000004342786 371851808 /nfs/dbraw/zinc/85/18/08/371851808.db2.gz CZHRRKKPZIBEFS-VBQJREDUSA-N 1 0 261.409 2.883 40 0 CFABRO CC(C)Oc1ccc(C(=O)OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000004416757 371855371 /nfs/dbraw/zinc/85/53/71/371855371.db2.gz HNYHPXPHZLQILY-AWEZNQCLSA-N 1 0 291.391 2.972 40 0 CFABRO O=C(C[NH2+]CC1CCCCC1)NCc1cccs1 ZINC000004501802 371861025 /nfs/dbraw/zinc/86/10/25/371861025.db2.gz QKPBGRDWZVYLIM-UHFFFAOYSA-N 1 0 266.410 2.534 40 0 CFABRO CCCC[NH2+]C[C@@H]1COc2cccc(OCC)c2O1 ZINC000004213170 371841884 /nfs/dbraw/zinc/84/18/84/371841884.db2.gz WKRAEDUMAWVCOC-GFCCVEGCSA-N 1 0 265.353 2.615 40 0 in-man CFABRO C[C@H]1CCC[C@@H]1OC[C@H](O)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000010434804 371908655 /nfs/dbraw/zinc/90/86/55/371908655.db2.gz YNHPVKYUSWWEAF-NPJQDHAYSA-N 1 0 269.429 2.530 40 0 CFABRO [NH3+][C@H](c1ccc(Br)cc1)c1cccnc1 ZINC000011737286 371927335 /nfs/dbraw/zinc/92/73/35/371927335.db2.gz RUXAKBAMHWCBPS-GFCCVEGCSA-N 1 0 263.138 2.892 40 0 CFABRO Cc1ccc([C@H]([NH3+])CNC(=O)OC(C)(C)C)cc1 ZINC000012357112 371954930 /nfs/dbraw/zinc/95/49/30/371954930.db2.gz XXAGTFDDCAQYAH-GFCCVEGCSA-N 1 0 250.342 2.520 40 0 CFABRO COc1cc2[nH+]c3c(c(N)c2cc1OC)CCCC3 ZINC000013808493 372049975 /nfs/dbraw/zinc/04/99/75/372049975.db2.gz KZBQUUNPSWNEND-UHFFFAOYSA-N 1 0 258.321 2.713 40 0 CFABRO CCn1cc(-c2cncn2C[C@H](C)[NH+]2CCCCC2)cn1 ZINC000019719618 372180937 /nfs/dbraw/zinc/18/09/37/372180937.db2.gz ARSBDIRQYDVSCL-AWEZNQCLSA-N 1 0 287.411 2.641 40 0 CFABRO Cc1ccc([C@@H](C[NH3+])NC(=O)OC(C)(C)C)cc1 ZINC000019421196 372162408 /nfs/dbraw/zinc/16/24/08/372162408.db2.gz DOGRNNXCMUAJLF-GFCCVEGCSA-N 1 0 250.342 2.520 40 0 CFABRO CC1CC[NH+](Cc2ccnc(-c3ccncc3)n2)CC1 ZINC000019496926 372169873 /nfs/dbraw/zinc/16/98/73/372169873.db2.gz VOVHEETYJRBPGI-UHFFFAOYSA-N 1 0 268.364 2.771 40 0 CFABRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc(F)cc(F)c1 ZINC000019575716 372175355 /nfs/dbraw/zinc/17/53/55/372175355.db2.gz HMGJVSIRRKXLRA-XHDPSFHLSA-N 1 0 266.335 2.633 40 0 CFABRO C[NH+]1CCC(Oc2ccc(C(F)(F)F)cc2N)CC1 ZINC000020352075 372236337 /nfs/dbraw/zinc/23/63/37/372236337.db2.gz BJRXHLPHFDAZMA-UHFFFAOYSA-N 1 0 274.286 2.761 40 0 CFABRO C[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2Cl)C1 ZINC000026919746 372330435 /nfs/dbraw/zinc/33/04/35/372330435.db2.gz PZHMKCPFKTYWHY-CHWSQXEVSA-N 1 0 283.799 2.812 40 0 CFABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)N(C)C)cc2)C1 ZINC000030758688 372397336 /nfs/dbraw/zinc/39/73/36/372397336.db2.gz MWWSADZKYCJNBS-CYBMUJFWSA-N 1 0 260.381 2.620 40 0 CFABRO COCCC[NH2+]Cc1ccc(OCC(C)C)c(OC)c1 ZINC000032127950 372430691 /nfs/dbraw/zinc/43/06/91/372430691.db2.gz RIQMXQYAIRKPHA-UHFFFAOYSA-N 1 0 281.396 2.856 40 0 CFABRO C[C@H]1C[C@H](C)C[NH+](C[C@H](O)COc2ccc(F)cc2)C1 ZINC000035088641 372537279 /nfs/dbraw/zinc/53/72/79/372537279.db2.gz JFVBJQRIVRCLHX-YDHLFZDLSA-N 1 0 281.371 2.543 40 0 CFABRO CC(C)N(CC[NH3+])Cc1cccc(C(F)(F)F)c1 ZINC000041160531 372825305 /nfs/dbraw/zinc/82/53/05/372825305.db2.gz AWYFAIMFGAKFDG-UHFFFAOYSA-N 1 0 260.303 2.875 40 0 CFABRO CN1CCC([N@@H+]2CC[C@H](c3nc4ccccc4o3)C2)CC1 ZINC000049168879 373273587 /nfs/dbraw/zinc/27/35/87/373273587.db2.gz JYKRSVIBYBLVKU-ZDUSSCGKSA-N 1 0 285.391 2.711 40 0 biogenic,in-vitro CFABRO CCCc1nnc([C@H]2CC[N@H+](Cc3ccc(C)o3)C2)o1 ZINC000049170314 373275060 /nfs/dbraw/zinc/27/50/60/373275060.db2.gz RRXVSZQFRLWXSE-LBPRGKRZSA-N 1 0 275.352 2.913 40 0 biogenic,in-vitro CFABRO COc1ccc([C@H]2C[N@H+](Cc3ccccc3)CCN2)cc1 ZINC000056894878 373574101 /nfs/dbraw/zinc/57/41/01/373574101.db2.gz SKMDMYKRKYICEO-GOSISDBHSA-N 1 0 282.387 2.842 40 0 CFABRO CC[C@@H](C)Oc1ccc(C[NH2+]CCCOC)cc1 ZINC000066170353 373918669 /nfs/dbraw/zinc/91/86/69/373918669.db2.gz VWBMLIZGBVPXTR-CYBMUJFWSA-N 1 0 251.370 2.990 40 0 CFABRO CCC[NH2+][C@H]1C[C@@H](Cc2cc(COC)on2)C1(C)C ZINC000067889881 374013984 /nfs/dbraw/zinc/01/39/84/374013984.db2.gz HUBFSBPCIRXXFZ-RISCZKNCSA-N 1 0 266.385 2.778 40 0 biogenic,in-vitro CFABRO O=C(OCc1ccccc1)N1CCC[C@H]([NH2+]C2CC2)C1 ZINC000073652657 374364447 /nfs/dbraw/zinc/36/44/47/374364447.db2.gz ZXXFGEDOFVJCCX-HNNXBMFYSA-N 1 0 274.364 2.540 40 0 CFABRO Cc1c(Cl)cccc1NC(=O)C1CC[NH+](C)CC1 ZINC000074713349 374434219 /nfs/dbraw/zinc/43/42/19/374434219.db2.gz SSQJZJOSLRNUGM-UHFFFAOYSA-N 1 0 266.772 2.929 40 0 CFABRO C[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000074713422 374434457 /nfs/dbraw/zinc/43/44/57/374434457.db2.gz LKXFVAFVNYONFT-UHFFFAOYSA-N 1 0 297.196 2.729 40 0 CFABRO CC(C)Oc1ccc(NC(=O)C2CC[NH+](C)CC2)cc1 ZINC000074713371 374435079 /nfs/dbraw/zinc/43/50/79/374435079.db2.gz QFDCLOJABKIDPS-UHFFFAOYSA-N 1 0 276.380 2.754 40 0 CFABRO COc1ccc(C)cc1NC(=O)CC1CC[NH+](C)CC1 ZINC000074921019 374447522 /nfs/dbraw/zinc/44/75/22/374447522.db2.gz YQAOWXATJOTYKT-UHFFFAOYSA-N 1 0 276.380 2.674 40 0 CFABRO CC(C)N(Cc1c(Cl)cccc1Cl)C(=O)C[NH3+] ZINC000079420235 374609597 /nfs/dbraw/zinc/60/95/97/374609597.db2.gz XRYWYLUBSXAOPR-UHFFFAOYSA-N 1 0 275.179 2.689 40 0 CFABRO C[C@H]([NH3+])C(=O)N(Cc1cccc(C(F)(F)F)c1)C1CC1 ZINC000079420977 374609737 /nfs/dbraw/zinc/60/97/37/374609737.db2.gz BCGWOZZNVYEHLL-VIFPVBQESA-N 1 0 286.297 2.544 40 0 CFABRO C[N@@H+]1CCC[C@H](C(=O)Nc2cccc(Cl)c2)C1 ZINC000082324490 374735728 /nfs/dbraw/zinc/73/57/28/374735728.db2.gz INEYVXLBCQBXJP-JTQLQIEISA-N 1 0 252.745 2.620 40 0 CFABRO Cc1cc(C[N@@H+]2CC[C@H]3[C@H]2CCN3c2ncccn2)oc1C ZINC000096184838 375475207 /nfs/dbraw/zinc/47/52/07/375475207.db2.gz FFLIDQOFWXYPAN-CVEARBPZSA-N 1 0 298.390 2.540 40 0 CFABRO Cc1ccc(C[N@@H+]2CC[C@H]3[C@H]2CCN3Cc2cccnc2)o1 ZINC000096184639 375475536 /nfs/dbraw/zinc/47/55/36/375475536.db2.gz GCUKDJMNKKAZRF-ZWKOTPCHSA-N 1 0 297.402 2.832 40 0 CFABRO Cc1nc(CN2CC[C@H]3[C@@H]2CC[N@H+]3CC(C)C)cs1 ZINC000096184271 375475816 /nfs/dbraw/zinc/47/58/16/375475816.db2.gz DCUUCSAEYIKSSC-GJZGRUSLSA-N 1 0 279.453 2.756 40 0 CFABRO COC[C@@H]1CCC2(CCN(Cc3ccc(C)o3)CC2)[N@@H+]1C ZINC000096208682 375477926 /nfs/dbraw/zinc/47/79/26/375477926.db2.gz DARBQZLZHVZTPA-HNNXBMFYSA-N 1 0 292.423 2.663 40 0 CFABRO C[NH+]1CCC2(CCCN(C(=O)Cc3ccccc3)C2)CC1 ZINC000096217430 375479541 /nfs/dbraw/zinc/47/95/41/375479541.db2.gz KPNLKINCFVKMDD-UHFFFAOYSA-N 1 0 286.419 2.564 40 0 CFABRO CC[N@@H+]1CCCC12CCN(C(=O)c1ccsc1)CC2 ZINC000096227877 375479864 /nfs/dbraw/zinc/47/98/64/375479864.db2.gz HQGUBRMQLWPYTG-UHFFFAOYSA-N 1 0 278.421 2.839 40 0 CFABRO Cc1cccc(C[N@@H+]2CCc3ncnc(C4CC4)c3CC2)n1 ZINC000096255087 375481078 /nfs/dbraw/zinc/48/10/78/375481078.db2.gz JKANFNFAMRRIBL-UHFFFAOYSA-N 1 0 294.402 2.658 40 0 CFABRO Cc1ccc(C[N@@H+]2CCc3ncnc(C)c3CC2)s1 ZINC000096254949 375481697 /nfs/dbraw/zinc/48/16/97/375481697.db2.gz KVLCSKPGQFRZIQ-UHFFFAOYSA-N 1 0 273.405 2.756 40 0 CFABRO CCC[N@@H+]1CCC[C@H]([C@@H]2c3ccccc3NC2=O)C1 ZINC000096260830 375482366 /nfs/dbraw/zinc/48/23/66/375482366.db2.gz BSSYYHRCZMIBOS-SWLSCSKDSA-N 1 0 258.365 2.844 40 0 CFABRO Cc1cccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c1 ZINC000096252434 375482490 /nfs/dbraw/zinc/48/24/90/375482490.db2.gz JMDIPJGMEZNDCF-IYBDPMFKSA-N 1 0 272.392 2.692 40 0 CFABRO CC[NH+](CC)CCCNCc1cnn(C(C)C)c1C ZINC000256051059 190003732 /nfs/dbraw/zinc/00/37/32/190003732.db2.gz HNWYMMWYLNPPSO-UHFFFAOYSA-N 1 0 266.433 2.594 40 0 CFABRO CC[C@@H](C)n1nccc1C[NH2+]Cc1cn(CC)nc1C ZINC000256051275 190003859 /nfs/dbraw/zinc/00/38/59/190003859.db2.gz IMTUBWODTGYPLL-GFCCVEGCSA-N 1 0 275.400 2.669 40 0 CFABRO CCOc1ccc(C[NH2+]Cc2ccnn2CCF)cc1 ZINC000256051412 190003909 /nfs/dbraw/zinc/00/39/09/190003909.db2.gz JBKGLARIMIBZFY-UHFFFAOYSA-N 1 0 277.343 2.541 40 0 CFABRO CC[C@H](C)n1nccc1CNCCC[NH+](CC)CC ZINC000256052379 190004097 /nfs/dbraw/zinc/00/40/97/190004097.db2.gz NCFBQORRRQRYSM-AWEZNQCLSA-N 1 0 266.433 2.676 40 0 CFABRO COc1cc(C[NH2+]Cc2cc(C(C)C)nn2C)ccc1O ZINC000256053655 190004633 /nfs/dbraw/zinc/00/46/33/190004633.db2.gz SHHMEHQMNYMUFY-UHFFFAOYSA-N 1 0 289.379 2.548 40 0 CFABRO CC(C)n1nccc1-c1cnc([C@@H]2CCC[N@H+](C)C2)cn1 ZINC000257203088 190011736 /nfs/dbraw/zinc/01/17/36/190011736.db2.gz AOQLESJILYYMCB-CYBMUJFWSA-N 1 0 285.395 2.730 40 0 CFABRO C[N@@H+]1CCCCC[C@@H]2N(C(=O)c3ccccn3)CC[C@@]21C ZINC000257208715 190012565 /nfs/dbraw/zinc/01/25/65/190012565.db2.gz BNJIAMOVAOHSPE-RDJZCZTQSA-N 1 0 287.407 2.561 40 0 CFABRO Cc1ccc(C[N@@H+]2CCC[C@@H](c3ccnc(C)n3)C2)cn1 ZINC000257216943 190013704 /nfs/dbraw/zinc/01/37/04/190013704.db2.gz CWTZHUWDCALIRP-MRXNPFEDSA-N 1 0 282.391 2.868 40 0 CFABRO Cc1c[nH]c(-c2nccnc2[C@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000257219586 190013887 /nfs/dbraw/zinc/01/38/87/190013887.db2.gz DHIAVYHLACIGIT-ZDUSSCGKSA-N 1 0 285.395 2.763 40 0 CFABRO FC(F)(F)CC[NH+]1CCC(c2ccn3nccc3n2)CC1 ZINC000257225277 190015438 /nfs/dbraw/zinc/01/54/38/190015438.db2.gz FFOJILYRGXTOFZ-UHFFFAOYSA-N 1 0 298.312 2.861 40 0 CFABRO O=C(c1ccsc1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000257231628 190016386 /nfs/dbraw/zinc/01/63/86/190016386.db2.gz GHNSSVUTJNANHJ-CQSZACIVSA-N 1 0 272.373 2.535 40 0 CFABRO Cc1ccnc([C@@H]2CC[N@H+](Cc3ccccc3F)C2)n1 ZINC000257222264 190014893 /nfs/dbraw/zinc/01/48/93/190014893.db2.gz DSPGJPUIDLICDK-CQSZACIVSA-N 1 0 271.339 2.914 40 0 CFABRO Cc1cc(-c2cc[nH]n2)nc(CC2CC[NH+](C(C)C)CC2)n1 ZINC000257238275 190017496 /nfs/dbraw/zinc/01/74/96/190017496.db2.gz HKGSCHXWDRNPRO-UHFFFAOYSA-N 1 0 299.422 2.838 40 0 CFABRO CC(C)[NH+]1CCC(Cc2cncc(-c3ccnn3C)n2)CC1 ZINC000257250856 190020358 /nfs/dbraw/zinc/02/03/58/190020358.db2.gz JOIFQLQPHYSSPE-UHFFFAOYSA-N 1 0 299.422 2.540 40 0 CFABRO c1cc([C@H]2CC[N@@H+](Cc3c[nH]c4ccccc34)C2)n[nH]1 ZINC000257259254 190021354 /nfs/dbraw/zinc/02/13/54/190021354.db2.gz KXNHWPAXVGYBCS-LBPRGKRZSA-N 1 0 266.348 2.881 40 0 CFABRO c1ccc(CCNc2cccc([C@@H]3CCC[NH2+]3)n2)nc1 ZINC000257256874 190021721 /nfs/dbraw/zinc/02/17/21/190021721.db2.gz KNGQQGRZPUJBHM-AWEZNQCLSA-N 1 0 268.364 2.556 40 0 CFABRO Cc1nccc(C[N@@H+]2CCC[C@@H](c3nccs3)C2)n1 ZINC000257263123 190022282 /nfs/dbraw/zinc/02/22/82/190022282.db2.gz LONKPNPGLJOJII-GFCCVEGCSA-N 1 0 274.393 2.621 40 0 CFABRO C[N@@H+]1CCC[C@H]2N(C(=O)c3ccccc3)CCC[C@@]21C ZINC000257278121 190025824 /nfs/dbraw/zinc/02/58/24/190025824.db2.gz OAXJAFOGBVITSO-WBVHZDCISA-N 1 0 272.392 2.776 40 0 CFABRO CC(C)c1cc(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)on1 ZINC000257283622 190026138 /nfs/dbraw/zinc/02/61/38/190026138.db2.gz OZBJFUNGWXTXFE-OAHLLOKOSA-N 1 0 299.374 2.585 40 0 CFABRO Cc1nccc([C@@H]2C[N@@H+](C3CCCCCC3)CCO2)n1 ZINC000257284080 190026514 /nfs/dbraw/zinc/02/65/14/190026514.db2.gz PBEFUXQRPBFSCL-INIZCTEOSA-N 1 0 275.396 2.881 40 0 CFABRO CC(C)n1nccc1C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000257282614 190026589 /nfs/dbraw/zinc/02/65/89/190026589.db2.gz OUMOYNQVSHTDHX-CYBMUJFWSA-N 1 0 273.384 2.567 40 0 CFABRO Cc1c[nH]nc1C1(C)CC[NH+](Cc2cccnc2)CC1 ZINC000257288592 190026676 /nfs/dbraw/zinc/02/66/76/190026676.db2.gz PUWKPUQZOZUERE-UHFFFAOYSA-N 1 0 270.380 2.667 40 0 CFABRO c1cc([C@@H]2CC[N@@H+](Cc3ccc4ccccc4n3)C2)n[nH]1 ZINC000257287947 190026823 /nfs/dbraw/zinc/02/68/23/190026823.db2.gz PSDSMKOVEHPFMW-CQSZACIVSA-N 1 0 278.359 2.947 40 0 CFABRO Cc1cccnc1Nc1cccc([C@H]2CCC[NH2+]C2)n1 ZINC000257292684 190027544 /nfs/dbraw/zinc/02/75/44/190027544.db2.gz QMOJXJGHTLELET-ZDUSSCGKSA-N 1 0 268.364 2.996 40 0 CFABRO Cc1ncc(-c2cc(CC3CC[NH+](C)CC3)ccn2)n1C ZINC000257289704 190028026 /nfs/dbraw/zinc/02/80/26/190028026.db2.gz PZVVSHARDHVHRL-UHFFFAOYSA-N 1 0 284.407 2.675 40 0 CFABRO Cc1nc(-c2ccnn2C(C)C)cc([C@@H]2CCC[NH2+]C2)n1 ZINC000257300041 190029670 /nfs/dbraw/zinc/02/96/70/190029670.db2.gz RSQMVYHWBCWVTE-CYBMUJFWSA-N 1 0 285.395 2.696 40 0 CFABRO COc1ccc(C[N@@H+]2CC[C@H](c3nc(C)c[nH]3)C2)cc1 ZINC000257307622 190030928 /nfs/dbraw/zinc/03/09/28/190030928.db2.gz SZNJFYILPFGHHE-AWEZNQCLSA-N 1 0 271.364 2.716 40 0 CFABRO Cc1ccc(C[NH+]2CCC(c3cncc(C)n3)CC2)cn1 ZINC000257333471 190035416 /nfs/dbraw/zinc/03/54/16/190035416.db2.gz YBSCVPAQVJMGJY-UHFFFAOYSA-N 1 0 282.391 2.868 40 0 CFABRO Cn1nc(N)c2ccc([C@@H]3CCC[N@H+](CC4CCC4)C3)nc21 ZINC000257338067 190036361 /nfs/dbraw/zinc/03/63/61/190036361.db2.gz YVQWDZNKGXDYCJ-CYBMUJFWSA-N 1 0 299.422 2.530 40 0 CFABRO Cn1nc(N)c2ccc([C@H]3CCC[N@H+](CC4CCC4)C3)nc21 ZINC000257338068 190036462 /nfs/dbraw/zinc/03/64/62/190036462.db2.gz YVQWDZNKGXDYCJ-ZDUSSCGKSA-N 1 0 299.422 2.530 40 0 CFABRO CCn1cc(C[N@@H+]2CCC[C@H]2c2ccnc(NC)c2)c(C)n1 ZINC000257336800 190036530 /nfs/dbraw/zinc/03/65/30/190036530.db2.gz YQCFSBWOVXKHEV-INIZCTEOSA-N 1 0 299.422 2.985 40 0 CFABRO c1ccc(O[C@@H]2C[C@H]3C[N@@H+](Cc4cnccn4)C[C@H]3C2)cc1 ZINC000257343741 190037772 /nfs/dbraw/zinc/03/77/72/190037772.db2.gz ZUFOHVQWIBUGDT-HWWDLCQESA-N 1 0 295.386 2.766 40 0 CFABRO CCNc1nc(N2Cc3ccccc3CC2(C)C)cc(C)[nH+]1 ZINC000329041422 378447190 /nfs/dbraw/zinc/44/71/90/378447190.db2.gz SJMBBYPVDREUBO-UHFFFAOYSA-N 1 0 296.418 2.980 40 0 CFABRO O=C(NCC[n+]1ccc2ccccc2c1)c1ccccc1 ZINC000000028223 169508087 /nfs/dbraw/zinc/50/80/87/169508087.db2.gz UTETYNMHBAAZAJ-UHFFFAOYSA-O 1 0 277.347 2.557 40 0 CFABRO C[C@]12C[C@@H](c3cccc(F)c3)[NH2+][C@H]1CCCCC(=O)N2 ZINC000212420491 382776212 /nfs/dbraw/zinc/77/62/12/382776212.db2.gz RUQRRCBIXGQPQS-DZKIICNBSA-N 1 0 276.355 2.678 40 0 CFABRO CC(C)(C)OC(=O)NC[C@H]1C[NH2+][C@H]2CCCC[C@@H]2C1 ZINC000215711846 382780189 /nfs/dbraw/zinc/78/01/89/382780189.db2.gz NEEFKHAZNNIJIV-UPJWGTAASA-N 1 0 268.401 2.679 40 0 CFABRO Clc1ccc(-c2ccc3nnc([C@H]4CC[NH2+]C4)n3n2)cc1 ZINC000217558489 382786866 /nfs/dbraw/zinc/78/68/66/382786866.db2.gz OPTOEWDAGWYLCC-NSHDSACASA-N 1 0 299.765 2.522 40 0 CFABRO Fc1ccc(-c2ccc3nnc([C@H]4CCCC[NH2+]4)n3n2)cc1 ZINC000217563379 382786932 /nfs/dbraw/zinc/78/69/32/382786932.db2.gz IVGJVVWSJZZLBC-CQSZACIVSA-N 1 0 297.337 2.745 40 0 CFABRO CC(C)(C)OC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCS1 ZINC000228962130 382849452 /nfs/dbraw/zinc/84/94/52/382849452.db2.gz KDAQBBPCSOWHFB-CQSZACIVSA-N 1 0 293.432 2.946 40 0 CFABRO COc1ccc([C@H]2CC(N)=[NH+]N2c2ccccc2)cc1OC ZINC000222549166 382802215 /nfs/dbraw/zinc/80/22/15/382802215.db2.gz YKYCLESUBKQYHM-CQSZACIVSA-N 1 0 297.358 2.927 40 0 CFABRO COCCC[NH2+]Cc1cc(C)n(CC(C)C)c1C ZINC000223659929 382806220 /nfs/dbraw/zinc/80/62/20/382806220.db2.gz GSTKEHCMIOEGJO-UHFFFAOYSA-N 1 0 252.402 2.887 40 0 CFABRO O=C(C1CCCC1)N1CC[C@@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000225686604 382820763 /nfs/dbraw/zinc/82/07/63/382820763.db2.gz PAPDUOOZWCGVBW-GOSISDBHSA-N 1 0 298.430 2.836 40 0 CFABRO CCCNC(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000225775323 382821422 /nfs/dbraw/zinc/82/14/22/382821422.db2.gz BWFYEXAVPKBBLA-UHFFFAOYSA-N 1 0 291.395 2.691 40 0 CFABRO Brc1ccc2c(c1)CC[NH2+]C21CCC1 ZINC000237988363 382975882 /nfs/dbraw/zinc/97/58/82/382975882.db2.gz QBWMQUYLTKTLQK-UHFFFAOYSA-N 1 0 252.155 2.974 40 0 CFABRO COC[C@H]1CC[N@H+](C)C2(CN(Cc3ccccc3C)C2)C1 ZINC000248159733 383215521 /nfs/dbraw/zinc/21/55/21/383215521.db2.gz XBMCRFJYKIMYOE-INIZCTEOSA-N 1 0 288.435 2.538 40 0 CFABRO C[N@H+](Cc1cncs1)[C@@H]1CCCN(c2ccccn2)C1 ZINC000257218945 383492791 /nfs/dbraw/zinc/49/27/91/383492791.db2.gz DEZCYOKARMGXDR-CYBMUJFWSA-N 1 0 288.420 2.639 40 0 CFABRO CC1(C)Oc2c(O)cccc2[C@H]2O[C@H]3CC[NH2+]C[C@H]3C[C@@H]21 ZINC000257245263 383493436 /nfs/dbraw/zinc/49/34/36/383493436.db2.gz IORYEVBZNMXJDJ-UEEZHKSASA-N 1 0 289.375 2.619 40 0 CFABRO Cc1nc([C@@H]2CCC[N@@H+](C)C2)cc(C(F)(F)F)n1 ZINC000257212612 383493601 /nfs/dbraw/zinc/49/36/01/383493601.db2.gz CEFKLXVTBNRLJY-SECBINFHSA-N 1 0 259.275 2.613 40 0 CFABRO CC(C)[N@@H+]1CCC[C@@H](c2cccc(N3CCOC3=O)n2)C1 ZINC000257247515 383493784 /nfs/dbraw/zinc/49/37/84/383493784.db2.gz IZICLAJRQATJIC-CYBMUJFWSA-N 1 0 289.379 2.626 40 0 CFABRO [NH3+][C@@H]1CCCN(Cc2cccnc2)[C@H]1c1ccccc1F ZINC000019368254 393482816 /nfs/dbraw/zinc/48/28/16/393482816.db2.gz CVPGHKWFNNWGNL-SJORKVTESA-N 1 0 285.366 2.885 40 0 CFABRO CCOCC[NH2+]Cc1cc2ccccc2c(OC)c1 ZINC000096527836 393837925 /nfs/dbraw/zinc/83/79/25/393837925.db2.gz BJXQDBFEDCLAKL-UHFFFAOYSA-N 1 0 259.349 2.975 40 0 CFABRO C[N@@H+]1CCC[C@@H]2N(C(=O)OC(C)(C)C)CCC[C@@]21C ZINC000254286871 393942665 /nfs/dbraw/zinc/94/26/65/393942665.db2.gz MFURMCJSPLMXDW-WFASDCNBSA-N 1 0 268.401 2.870 40 0 CFABRO CC[C@@H](C)N1C[C@@]2(CCC[N@@H+]([C@@H](C)CC)C2)C1=O ZINC000585099307 395100357 /nfs/dbraw/zinc/10/03/57/395100357.db2.gz CMLCFZXWVNFPCH-GUTXKFCHSA-N 1 0 252.402 2.508 40 0 CFABRO C[C@@H](NC(=O)OC(C)(C)C)[C@H]([NH3+])c1ccccc1 ZINC000072208915 397590459 /nfs/dbraw/zinc/59/04/59/397590459.db2.gz SQWVCBMYWHDLCU-PWSUYJOCSA-N 1 0 250.342 2.600 40 0 CFABRO CC(C)[NH2+]C[C@@H](O)CO[C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000003864469 169917645 /nfs/dbraw/zinc/91/76/45/169917645.db2.gz IXLSSBPTUXEGSB-XUWVNRHRSA-N 1 0 271.445 2.823 40 0 CFABRO CCC(=O)N1N=C2[C@H]([C@@H]1c1ccco1)[C@H](C)[N@H+](C)C[C@@H]2C ZINC000004724368 170006046 /nfs/dbraw/zinc/00/60/46/170006046.db2.gz URLGZASRDBGECB-WYURAEBNSA-N 1 0 289.379 2.515 40 0 CFABRO Cc1ccccc1OC[C@@H](O)C[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000004867321 170033635 /nfs/dbraw/zinc/03/36/35/170033635.db2.gz NPFMVLLMEBJEBL-JYJNAYRXSA-N 1 0 277.408 2.998 40 0 CFABRO C[C@H]1C[C@H](C)C[NH+](C[C@H](O)COCc2ccccc2)C1 ZINC000005051408 170061138 /nfs/dbraw/zinc/06/11/38/170061138.db2.gz ULKRONYQGUYPJU-ZOBUZTSGSA-N 1 0 277.408 2.542 40 0 CFABRO COc1cc(NC(=O)[C@H]2CCC[NH2+]2)cc2ccccc21 ZINC000005273709 170081789 /nfs/dbraw/zinc/08/17/89/170081789.db2.gz MOERTZHMSVIRNL-CQSZACIVSA-N 1 0 270.332 2.539 40 0 CFABRO C[N@H+]1[C@@H]2CC[C@H]1CC(OC(=O)c1ccc(F)cc1)C2 ZINC000005377685 170090994 /nfs/dbraw/zinc/09/09/94/170090994.db2.gz YXDFSLSXLYAAPF-PBWFPOADSA-N 1 0 263.312 2.608 40 0 CFABRO CC(C)(C)C(=O)OC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000005383571 170092897 /nfs/dbraw/zinc/09/28/97/170092897.db2.gz JJYKYGSRKXDFDX-CHWSQXEVSA-N 1 0 253.386 2.840 40 0 biogenic,in-vitro CFABRO CC[NH+](CC)CCCNc1cc(O)cc2ccc(=O)[nH]c21 ZINC000008581446 170341723 /nfs/dbraw/zinc/34/17/23/170341723.db2.gz RQGJIRIFGANFQY-UHFFFAOYSA-N 1 0 289.379 2.790 40 0 CFABRO Cc1ccc(NC(=S)NC[C@H]2CCC[N@@H+](C)C2)cc1C ZINC000009876173 170388155 /nfs/dbraw/zinc/38/81/55/170388155.db2.gz XSVCIOUIWRIACG-CQSZACIVSA-N 1 0 291.464 2.932 40 0 CFABRO Cc1ccc(CCC(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000013613899 170569906 /nfs/dbraw/zinc/56/99/06/170569906.db2.gz PQLXCJOOHUIGLY-UHFFFAOYSA-N 1 0 288.435 2.920 40 0 CFABRO CC(C)OCCC[N@@H+](Cc1ccncc1)C[C@H]1CCOC1 ZINC000013989546 170614292 /nfs/dbraw/zinc/61/42/92/170614292.db2.gz LSSCYRAXBLRYAS-QGZVFWFLSA-N 1 0 292.423 2.735 40 0 CFABRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(F)cc1F ZINC000019575758 170828424 /nfs/dbraw/zinc/82/84/24/170828424.db2.gz GJTSGSCKRTWULI-FZMZJTMJSA-N 1 0 266.335 2.633 40 0 CFABRO O=C(c1cccc(Cl)c1)N1CCC[C@]2(CCC[NH2+]C2)C1 ZINC000033426312 171793391 /nfs/dbraw/zinc/79/33/91/171793391.db2.gz QXCBXSWHPQACJV-INIZCTEOSA-N 1 0 292.810 2.946 40 0 CFABRO COCCC[NH2+]Cc1cccn1Cc1ccccc1C ZINC000035293113 172106028 /nfs/dbraw/zinc/10/60/28/172106028.db2.gz DSZHVRDSHNBDBT-UHFFFAOYSA-N 1 0 272.392 2.971 40 0 CFABRO COc1ccc(-c2noc([C@@H]3CCC[N@@H+]3C(C)C)n2)cn1 ZINC000035425891 172193262 /nfs/dbraw/zinc/19/32/62/172193262.db2.gz NNEFDBBKAUUVTN-LBPRGKRZSA-N 1 0 288.351 2.686 40 0 biogenic,in-vitro CFABRO C[NH2+][C@@H](CO)c1ccc(OCc2ccccc2)cc1 ZINC000038121267 174128494 /nfs/dbraw/zinc/12/84/94/174128494.db2.gz VROGAWZEUHSRCU-INIZCTEOSA-N 1 0 257.333 2.518 40 0 CFABRO CC(C)CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038832378 174157318 /nfs/dbraw/zinc/15/73/18/174157318.db2.gz SHEBZWYOKDSFAP-INIZCTEOSA-N 1 0 274.408 2.671 40 0 CFABRO CCCC[C@@H]1C[NH2+]CCN1C(=O)OCc1ccccc1 ZINC000039952230 174176776 /nfs/dbraw/zinc/17/67/76/174176776.db2.gz OJXHYMSDRJRRRV-OAHLLOKOSA-N 1 0 276.380 2.787 40 0 CFABRO COC(=O)c1ccc([C@H]2CCC[NH2+]C2)c(Br)c1 ZINC000039952475 174176804 /nfs/dbraw/zinc/17/68/04/174176804.db2.gz ZBGHTPCOWYYCAW-JTQLQIEISA-N 1 0 298.180 2.703 40 0 CFABRO CC(C)C[C@H]1C[NH2+]CCN1C(=O)OCc1ccccc1 ZINC000039952235 174177101 /nfs/dbraw/zinc/17/71/01/174177101.db2.gz FBBZPXWNBZIIRN-HNNXBMFYSA-N 1 0 276.380 2.643 40 0 CFABRO CC(C)(C)OC(=O)N1C[C@H]([NH3+])C[C@H](c2ccccc2)C1 ZINC000044136107 175146135 /nfs/dbraw/zinc/14/61/35/175146135.db2.gz BUYRRQKPBSWKQI-UONOGXRCSA-N 1 0 276.380 2.738 40 0 CFABRO [NH3+][C@@H](c1ccccc1)c1ccc(Br)cn1 ZINC000044138888 175146337 /nfs/dbraw/zinc/14/63/37/175146337.db2.gz QZJYXNOQPSAICI-LBPRGKRZSA-N 1 0 263.138 2.892 40 0 CFABRO Clc1ccc(CNC[C@H]2CCC[NH2+]2)c(Cl)c1 ZINC000072203623 176341539 /nfs/dbraw/zinc/34/15/39/176341539.db2.gz JRBJVDKYXRKKMM-LLVKDONJSA-N 1 0 259.180 2.835 40 0 CFABRO C[C@@H]1CN(Cc2c(Cl)cccc2Cl)CC[NH2+]1 ZINC000072203612 176341677 /nfs/dbraw/zinc/34/16/77/176341677.db2.gz UIEKZCFOHJLDJN-SECBINFHSA-N 1 0 259.180 2.787 40 0 CFABRO CC(C)Oc1ccc(-c2noc(C3CC[NH2+]CC3)n2)cc1 ZINC000072226841 176343438 /nfs/dbraw/zinc/34/34/38/176343438.db2.gz DXCGHCHTBOTHJD-UHFFFAOYSA-N 1 0 287.363 2.991 40 0 CFABRO C[N@@H+]1CCC[C@H]1c1ccc(-c2cccc(C(N)=O)c2)cn1 ZINC000072352977 176374576 /nfs/dbraw/zinc/37/45/76/176374576.db2.gz ZBKJARRUDTWKMB-INIZCTEOSA-N 1 0 281.359 2.614 40 0 CFABRO COc1cccc(-c2nccnc2[C@H]2CCC[NH2+]C2)c1 ZINC000072356383 176375598 /nfs/dbraw/zinc/37/55/98/176375598.db2.gz MSGQYNCRZMNWIG-ZDUSSCGKSA-N 1 0 269.348 2.619 40 0 CFABRO Fc1cccc(-c2nccnc2[C@H]2CCC[NH2+]C2)c1 ZINC000072356379 176375754 /nfs/dbraw/zinc/37/57/54/176375754.db2.gz TVVGYIAWYJEXQL-LBPRGKRZSA-N 1 0 257.312 2.750 40 0 CFABRO COc1cccc(-c2nccnc2[C@H]2CCC[N@H+](C)C2)c1 ZINC000072358366 176376202 /nfs/dbraw/zinc/37/62/02/176376202.db2.gz CLQUUDQEHXXULP-AWEZNQCLSA-N 1 0 283.375 2.961 40 0 CFABRO c1ccc(CC[N@@H+]2CCC[C@@H](c3cnccn3)C2)cc1 ZINC000072363741 176378195 /nfs/dbraw/zinc/37/81/95/176378195.db2.gz MKNNRIARGNGFIV-MRXNPFEDSA-N 1 0 267.376 2.899 40 0 CFABRO Cn1ccnc1CC1CC[NH+](CCc2ccccc2)CC1 ZINC000072363737 176378357 /nfs/dbraw/zinc/37/83/57/176378357.db2.gz IYZRKBMQNFGXIF-UHFFFAOYSA-N 1 0 283.419 2.917 40 0 CFABRO Fc1cccc(CNc2cnc([C@@H]3CCC[NH2+]C3)cn2)c1 ZINC000072365077 176379993 /nfs/dbraw/zinc/37/99/93/176379993.db2.gz GPGSQNKDIXNKSC-CYBMUJFWSA-N 1 0 286.354 2.695 40 0 CFABRO COc1cccc(-c2cc(C3CC[NH2+]CC3)nc(C)n2)c1 ZINC000072365133 176380066 /nfs/dbraw/zinc/38/00/66/176380066.db2.gz ZLRMFJLHUCYWKU-UHFFFAOYSA-N 1 0 283.375 2.928 40 0 CFABRO C[N@@H+]1CCC[C@@H](Cc2ccc(-c3cccnc3)nn2)CC1 ZINC000072365139 176380098 /nfs/dbraw/zinc/38/00/98/176380098.db2.gz IBRQJZNUSBNEMK-CQSZACIVSA-N 1 0 282.391 2.813 40 0 CFABRO C[NH+]1CCC(c2cccc(NC[C@]3(C)CCCO3)n2)CC1 ZINC000072365475 176380604 /nfs/dbraw/zinc/38/06/04/176380604.db2.gz CVXYYIRTIFQNNX-KRWDZBQOSA-N 1 0 289.423 2.872 40 0 CFABRO COc1ccccc1Cc1cc([C@@H]2CCC[NH2+]C2)nc(C)n1 ZINC000072365276 176380816 /nfs/dbraw/zinc/38/08/16/176380816.db2.gz VQEMZCJHKPDKAN-OAHLLOKOSA-N 1 0 297.402 2.851 40 0 CFABRO Fc1cccc(CNc2cccc(C[C@@H]3CC[NH2+]C3)n2)c1 ZINC000072366289 176380868 /nfs/dbraw/zinc/38/08/68/176380868.db2.gz CMQPAMGDGHBHED-AWEZNQCLSA-N 1 0 285.366 2.985 40 0 CFABRO Cc1nccnc1C1CC[NH+](CC2(O)CCCCC2)CC1 ZINC000072366736 176381676 /nfs/dbraw/zinc/38/16/76/176381676.db2.gz LITLDLYMGXBDGT-UHFFFAOYSA-N 1 0 289.423 2.660 40 0 CFABRO Cc1cncc(C2CC[NH+](CC3(O)CCCCC3)CC2)n1 ZINC000072366735 176382008 /nfs/dbraw/zinc/38/20/08/176382008.db2.gz ATBZMTOWHAUPDD-UHFFFAOYSA-N 1 0 289.423 2.660 40 0 CFABRO COc1ccc(-c2nccc([C@@H]3CCC[N@@H+]3C)n2)cc1 ZINC000072376469 176385063 /nfs/dbraw/zinc/38/50/63/176385063.db2.gz SHXUEXLHUPHMPP-HNNXBMFYSA-N 1 0 269.348 2.919 40 0 CFABRO CC(C)[N@@H+]1CCC[C@@H](c2ccnc(Nc3cncnc3)n2)C1 ZINC000072377469 176385736 /nfs/dbraw/zinc/38/57/36/176385736.db2.gz RWHLAYPWGIVUOE-CYBMUJFWSA-N 1 0 298.394 2.598 40 0 CFABRO Cc1nc(Nc2ncccc2C)cc([C@@H]2CCC[NH2+]2)n1 ZINC000072382155 176388025 /nfs/dbraw/zinc/38/80/25/176388025.db2.gz FKEOHPJMWHGPCA-LBPRGKRZSA-N 1 0 269.352 2.657 40 0 CFABRO Cc1cccnc1Nc1cc([C@@H]2CCC[N@H+]2C)nc(C)n1 ZINC000072382612 176388027 /nfs/dbraw/zinc/38/80/27/176388027.db2.gz KDCZHALSNXKKPH-AWEZNQCLSA-N 1 0 283.379 2.999 40 0 CFABRO Cc1nc(Nc2ncccn2)cc([C@H]2CCC[N@H+]2C(C)C)n1 ZINC000072382645 176388297 /nfs/dbraw/zinc/38/82/97/176388297.db2.gz GAAWHYBTLMLRQF-CQSZACIVSA-N 1 0 298.394 2.864 40 0 CFABRO Cc1cccc(Nc2cc(C[C@H]3CCC[N@@H+](C)C3)ncn2)n1 ZINC000072383483 176388723 /nfs/dbraw/zinc/38/87/23/176388723.db2.gz KZFPOAYJSJNHSR-CQSZACIVSA-N 1 0 297.406 2.808 40 0 CFABRO c1nc(CC[C@@H]2CCC[NH2+]2)cc(N2CCCCCC2)n1 ZINC000072386540 176392328 /nfs/dbraw/zinc/39/23/28/176392328.db2.gz SRWDNBIWSMCUJZ-AWEZNQCLSA-N 1 0 274.412 2.542 40 0 CFABRO C[NH+]1CCN(Cc2c3cccnc3[nH]c2C2CCCC2)CC1 ZINC000072393679 176394448 /nfs/dbraw/zinc/39/44/48/176394448.db2.gz FGNHVJZJRLFFOH-UHFFFAOYSA-N 1 0 298.434 2.968 40 0 CFABRO Cc1cc(C[N@@H+]2CCC[C@H](CO)C2)c(C)n1-c1cccnc1 ZINC000072397802 176395791 /nfs/dbraw/zinc/39/57/91/176395791.db2.gz SQFMGNJCUBYVOI-INIZCTEOSA-N 1 0 299.418 2.693 40 0 CFABRO CCCCCC[NH2+]Cc1cnc(NCCC)nc1 ZINC000062717691 262302536 /nfs/dbraw/zinc/30/25/36/262302536.db2.gz UROBEMBWLKHBAX-UHFFFAOYSA-N 1 0 250.390 2.968 40 0 CFABRO CC(C)c1[nH]c2ncccc2c1C[NH+]1CCC(O)CC1 ZINC000072398464 275720288 /nfs/dbraw/zinc/72/02/88/275720288.db2.gz RBLNGGAGBYIUOO-UHFFFAOYSA-N 1 0 273.380 2.643 40 0 CFABRO CCC[N@@H+]1CC[C@H]2COC(=O)N2c2cc(F)ccc2C1 ZINC000225486925 276014134 /nfs/dbraw/zinc/01/41/34/276014134.db2.gz SHEGFGCSPGOEOY-ZDUSSCGKSA-N 1 0 278.327 2.767 40 0 biogenic,in-vitro CFABRO CC[NH+]1CCC2(CC1)CC(=O)c1ccc(OC)cc1O2 ZINC000164946708 276152510 /nfs/dbraw/zinc/15/25/10/276152510.db2.gz BMPBRUZJSFRMQX-UHFFFAOYSA-N 1 0 275.348 2.515 40 0 CFABRO CC[NH+](CC)CCCNC(=O)Nc1ccc(C)cc1 ZINC000006462728 276325301 /nfs/dbraw/zinc/32/53/01/276325301.db2.gz GGLZFQHMSXOBKH-UHFFFAOYSA-N 1 0 263.385 2.848 40 0 CFABRO Brc1ccc2c(c1)CCC1(CC[NH2+]CC1)O2 ZINC000036141506 276767886 /nfs/dbraw/zinc/76/78/86/276767886.db2.gz MIYSWCGJEOTEKT-UHFFFAOYSA-N 1 0 282.181 2.896 40 0 CFABRO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])Cc2ccccc21 ZINC000002518329 277192869 /nfs/dbraw/zinc/19/28/69/277192869.db2.gz FLQKOXNINDFRSF-LBPRGKRZSA-N 1 0 262.353 2.702 40 0 CFABRO C[C@H]([NH3+])C(=O)N(Cc1c(Cl)cccc1Cl)C1CC1 ZINC000079420332 278223451 /nfs/dbraw/zinc/22/34/51/278223451.db2.gz SAPDZFXIIDRKRD-QMMMGPOBSA-N 1 0 287.190 2.832 40 0 CFABRO CC(C)(C)[NH2+]C[C@H](O)COC12CC3CC(CC(C3)C1)C2 ZINC000027533969 278370359 /nfs/dbraw/zinc/37/03/59/278370359.db2.gz DADQGUYAYLFYOR-RDVIWEACSA-N 1 0 281.440 2.721 40 0 CFABRO CC1CCN([C@@H](C[NH3+])c2cc(F)ccc2F)CC1 ZINC000037233429 278550004 /nfs/dbraw/zinc/55/00/04/278550004.db2.gz OXNLKJINUHAKGM-AWEZNQCLSA-N 1 0 254.324 2.697 40 0 CFABRO CC(C)[NH2+][C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000079437057 279626969 /nfs/dbraw/zinc/62/69/69/279626969.db2.gz NLOZWKJOKIDHPP-NEPJUHHUSA-N 1 0 256.390 2.820 40 0 CFABRO Cc1ccc(-c2ccc3c(c2)[C@](C)([NH3+])C(=O)N3)cc1 ZINC000536557753 330365830 /nfs/dbraw/zinc/36/58/30/330365830.db2.gz XUFTXOMKYJJEEM-INIZCTEOSA-N 1 0 252.317 2.788 40 0 CFABRO COc1ccc([C@H](C)N2CC[NH2+][C@@H]3CCC[C@@H]32)cc1 ZINC000225718240 333182095 /nfs/dbraw/zinc/18/20/95/333182095.db2.gz CWYKHCGVGDOOSN-MAZHCROVSA-N 1 0 260.381 2.583 40 0 CFABRO COc1ccc(-c2nnc([C@@H]([NH3+])Cc3ccccc3)[nH]2)cc1 ZINC000095534831 185007923 /nfs/dbraw/zinc/00/79/23/185007923.db2.gz IZBKTISVCIWJGK-HNNXBMFYSA-N 1 0 294.358 2.723 40 0 CFABRO Cc1occc1-c1n[nH]c([C@H]([NH3+])Cc2ccccc2)n1 ZINC000095534852 185008689 /nfs/dbraw/zinc/00/86/89/185008689.db2.gz ZLMZZAWFJYNRCB-CYBMUJFWSA-N 1 0 268.320 2.616 40 0 CFABRO CCOC[C@@]12CCCO[C@H]1CC[N@H+](Cc1ccoc1)C2 ZINC000096039312 185069345 /nfs/dbraw/zinc/06/93/45/185069345.db2.gz KRLYSIGFBFAJGL-HOTGVXAUSA-N 1 0 279.380 2.687 40 0 CFABRO CCOC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1ccoc1)C2 ZINC000096039310 185069556 /nfs/dbraw/zinc/06/95/56/185069556.db2.gz KRLYSIGFBFAJGL-CVEARBPZSA-N 1 0 279.380 2.687 40 0 CFABRO c1ccc(CN2CCC3(CCC[N@H+]3CC3CC3)CC2)nc1 ZINC000096049301 185072367 /nfs/dbraw/zinc/07/23/67/185072367.db2.gz BDNDKUGMEDBUDB-UHFFFAOYSA-N 1 0 285.435 2.922 40 0 CFABRO Cc1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)N3)CC2)s1 ZINC000096047449 185073116 /nfs/dbraw/zinc/07/31/16/185073116.db2.gz TWWBFMKWGQFZNH-HNNXBMFYSA-N 1 0 278.421 2.691 40 0 CFABRO c1coc(CN2CC[C@]3(C2)CCC[N@@H+](CC2CC2)C3)c1 ZINC000096046930 185073464 /nfs/dbraw/zinc/07/34/64/185073464.db2.gz YYUXSBZMXRALSG-QGZVFWFLSA-N 1 0 274.408 2.978 40 0 CFABRO Cc1ccc(C[N@H+]2C[C@H]3CN(Cc4ccccn4)C[C@H]3C2)o1 ZINC000096053791 185074780 /nfs/dbraw/zinc/07/47/80/185074780.db2.gz FODQKOBDPUAGEG-IYBDPMFKSA-N 1 0 297.402 2.547 40 0 CFABRO CCn1cc2c(n1)C[N@@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC000096060437 185079897 /nfs/dbraw/zinc/07/98/97/185079897.db2.gz WCKTXCKUECPZJM-HNNXBMFYSA-N 1 0 289.423 2.639 40 0 CFABRO CO[C@H]1CC[N@H+](Cc2cccs2)[C@H]1Cc1ccncc1 ZINC000096069979 185085598 /nfs/dbraw/zinc/08/55/98/185085598.db2.gz PWNJBGLCXNCAIQ-HOTGVXAUSA-N 1 0 288.416 2.975 40 0 CFABRO COCC[C@@H]1CO[C@@]2(CC[N@H+](Cc3ccccc3F)C2)C1 ZINC000096072047 185086485 /nfs/dbraw/zinc/08/64/85/185086485.db2.gz VQYUXQJJJXPFMF-YOEHRIQHSA-N 1 0 293.382 2.843 40 0 CFABRO COC[C@H]1C[N@H+](Cc2sccc2C)Cc2cn(C)nc21 ZINC000096100571 185098252 /nfs/dbraw/zinc/09/82/52/185098252.db2.gz DWKJZSKPKHYJRG-CYBMUJFWSA-N 1 0 291.420 2.536 40 0 CFABRO CO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1sccc1C)C2 ZINC000096107430 185100311 /nfs/dbraw/zinc/10/03/11/185100311.db2.gz DPSBOGRFAIEPFT-ZFWWWQNUSA-N 1 0 281.421 2.826 40 0 CFABRO O=S(=O)(c1c(Cl)cccc1Cl)C1CC[NH2+]CC1 ZINC000083308857 178380231 /nfs/dbraw/zinc/38/02/31/178380231.db2.gz NGIRHLCRBNAHES-UHFFFAOYSA-N 1 0 294.203 2.519 40 0 CFABRO C[N@@H+]1CCC[C@@H](C(=O)NC2CCCCCCC2)C1 ZINC000096629263 185108175 /nfs/dbraw/zinc/10/81/75/185108175.db2.gz URDKMSJTMJZRMR-CYBMUJFWSA-N 1 0 252.402 2.557 40 0 CFABRO CCc1cc(N2Cc3ccccc3CC2(C)C)nc(NC)[nH+]1 ZINC000329026913 136377484 /nfs/dbraw/zinc/37/74/84/136377484.db2.gz PPIYJPIATRERQV-UHFFFAOYSA-N 1 0 296.418 2.844 40 0 CFABRO CC(C)[C@H]([NH3+])c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000096510448 347702117 /nfs/dbraw/zinc/70/21/17/347702117.db2.gz OKGCQZMVWGAKHE-QMMMGPOBSA-N 1 0 258.247 2.633 40 0 CFABRO CC(C)(C)OC(=O)N[C@H]1C[NH2+]C[C@H]1C1CCCCC1 ZINC000143487600 347937571 /nfs/dbraw/zinc/93/75/71/347937571.db2.gz JKFONBAELDEELK-STQMWFEESA-N 1 0 268.401 2.679 40 0 CFABRO C[C@@H]1O[C@H]2C[C@@H](C(F)(F)F)C[C@@H](C[NH3+])[C@@H]2[C@@H]1C ZINC000225761939 348179620 /nfs/dbraw/zinc/17/96/20/348179620.db2.gz SJWHBLVDVMHUKH-UPLHKLGHSA-N 1 0 251.292 2.573 40 0 CFABRO C[C@H]([NH2+]Cc1ccccc1)C(=O)c1ccc2c(c1)OCO2 ZINC000231158601 348207845 /nfs/dbraw/zinc/20/78/45/348207845.db2.gz KRNIYOJEASBDDP-LBPRGKRZSA-N 1 0 283.327 2.776 40 0 in-vitro CFABRO CC(C)[N@@H+]1CCC[C@H](Cc2ccc(Cl)nn2)C1 ZINC000259564457 348308923 /nfs/dbraw/zinc/30/89/23/348308923.db2.gz WTPDJVQYOUNOPY-LLVKDONJSA-N 1 0 253.777 2.793 40 0 CFABRO FC[C@@H]1C[NH2+]C[C@@H]1c1ccc(Br)cc1 ZINC000409421942 348600271 /nfs/dbraw/zinc/60/02/71/348600271.db2.gz AEJNDIBUEHRHCY-MWLCHTKSSA-N 1 0 258.134 2.722 40 0 CFABRO CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCCO1 ZINC000409439045 348602092 /nfs/dbraw/zinc/60/20/92/348602092.db2.gz GADIDLUFQJHZAH-MELADBBJSA-N 1 0 298.427 2.591 40 0 CFABRO [NH3+]Cc1cc(-c2cc(Cl)cc(Cl)c2)ncn1 ZINC000409436734 348602545 /nfs/dbraw/zinc/60/25/45/348602545.db2.gz YTPOAAKCCHSCAN-UHFFFAOYSA-N 1 0 254.120 2.909 40 0 CFABRO Cc1cc(OC[C@]2(O)CCC[NH2+]CC2)cc(C)c1Cl ZINC000399675518 348570172 /nfs/dbraw/zinc/57/01/72/348570172.db2.gz PQJWCOSKNDAIGB-HNNXBMFYSA-N 1 0 283.799 2.840 40 0 CFABRO c1nc2ccccn2c1-c1cccc(C[C@@H]2CCC[NH2+]C2)n1 ZINC000585263320 348738721 /nfs/dbraw/zinc/73/87/21/348738721.db2.gz VRVSXFNJQYLMFU-AWEZNQCLSA-N 1 0 292.386 2.938 40 0 CFABRO C[N@@H+]1CC[C@@]12CCCN(C(=O)c1cc(Cl)ccc1F)C2 ZINC000585101824 348734165 /nfs/dbraw/zinc/73/41/65/348734165.db2.gz HNEQBEYCVDYJAB-OAHLLOKOSA-N 1 0 296.773 2.789 40 0 CFABRO CC(=O)N1C[C@@H](c2ccccc2)[C@@H]2[NH2+]CCCCC[C@@H]21 ZINC000585164517 348738035 /nfs/dbraw/zinc/73/80/35/348738035.db2.gz PMMJOUYHQAXQGW-ULQDDVLXSA-N 1 0 272.392 2.533 40 0 CFABRO CC(C)(C)OC(=O)N1CC(C[NH2+]Cc2cccc(F)c2)C1 ZINC000090558593 180004455 /nfs/dbraw/zinc/00/44/55/180004455.db2.gz MNENDYIKEJNZRD-UHFFFAOYSA-N 1 0 294.370 2.782 40 0 CFABRO [NH3+]CC1(Cc2ccc(Br)cc2)CCOCC1 ZINC000061673947 283425753 /nfs/dbraw/zinc/42/57/53/283425753.db2.gz UIVKQEIEDZRCFM-UHFFFAOYSA-N 1 0 284.197 2.747 40 0 CFABRO CCN(C(=O)OC(C)(C)C)C1CCC([NH2+]C)CC1 ZINC000079437614 284193379 /nfs/dbraw/zinc/19/33/79/284193379.db2.gz KZLJSRHVNFIZQB-UHFFFAOYSA-N 1 0 256.390 2.774 40 0 CFABRO CCN(CC)C(=O)C1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000000378361 371600779 /nfs/dbraw/zinc/60/07/79/371600779.db2.gz DUOZLOOJPMIWGO-HNNXBMFYSA-N 1 0 278.440 2.923 40 0 CFABRO CCOC(=O)[C@@H](C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000002511913 371731455 /nfs/dbraw/zinc/73/14/55/371731455.db2.gz AKNWUQFEDZTSPA-QMMMGPOBSA-N 1 0 262.136 2.599 40 0 CFABRO CC[C@](O)(C[NH+]1CCCCC1)[C@H]1Cc2ccccc2O1 ZINC000001595105 371685151 /nfs/dbraw/zinc/68/51/51/371685151.db2.gz HMQBGFVTOYGQJN-SJORKVTESA-N 1 0 275.392 2.617 40 0 CFABRO C(CN1CCOCC1)C[NH+]1CCC2(CCCCC2)CC1 ZINC000001603884 371686393 /nfs/dbraw/zinc/68/63/93/371686393.db2.gz XCSBDQYNYZYPSX-UHFFFAOYSA-N 1 0 280.456 2.755 40 0 CFABRO CC[NH2+][C@H]1C2(CCCCC2)NC(=O)C12CCCCC2 ZINC000001618992 371688815 /nfs/dbraw/zinc/68/88/15/371688815.db2.gz FIVJYMCKWGPQTN-CYBMUJFWSA-N 1 0 264.413 2.748 40 0 CFABRO COCC[NH2+][C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000001667126 371694251 /nfs/dbraw/zinc/69/42/51/371694251.db2.gz ACUVMRHAWWNSHA-DLBZAZTESA-N 1 0 271.360 2.697 40 0 CFABRO C[C@@H](O)C[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000001666284 371694358 /nfs/dbraw/zinc/69/43/58/371694358.db2.gz JXHMGLPMZUHEPR-RHSMWYFYSA-N 1 0 255.361 2.941 40 0 CFABRO CC1([NH3+])COC(c2ccccc2)(c2ccccc2)OC1 ZINC000001671118 371694826 /nfs/dbraw/zinc/69/48/26/371694826.db2.gz RLPLHKXMMADQKQ-UHFFFAOYSA-N 1 0 269.344 2.652 40 0 CFABRO CC[C@@H](C)c1ccccc1OC[C@H](O)C[NH2+]C(C)C ZINC000002694435 371746745 /nfs/dbraw/zinc/74/67/45/371746745.db2.gz JXVADECHNQDHFV-ZIAGYGMSSA-N 1 0 265.397 2.938 40 0 CFABRO Cc1cccc(OC[C@@H](O)C[N@H+]2CCCC[C@@H]2C)c1 ZINC000004276569 371846046 /nfs/dbraw/zinc/84/60/46/371846046.db2.gz RQGZRNBQLOZLAS-GJZGRUSLSA-N 1 0 263.381 2.609 40 0 CFABRO Cc1cccc(OC[C@@H](O)C[N@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000004333107 371850563 /nfs/dbraw/zinc/85/05/63/371850563.db2.gz SSKLSJSAMGIPNT-XHSDSOJGSA-N 1 0 277.408 2.998 40 0 CFABRO Cc1ccc(C)c(CSc2nc(N)cc(N)[nH+]2)c1 ZINC000006255782 371889141 /nfs/dbraw/zinc/88/91/41/371889141.db2.gz DSWMSNQIJVBDBI-UHFFFAOYSA-N 1 0 260.366 2.550 40 0 CFABRO Cc1sc2[nH]c([C@@H](C)[NH2+]C(C)C)nc(=O)c2c1C ZINC000007738684 371895806 /nfs/dbraw/zinc/89/58/06/371895806.db2.gz FRZQCPITXSVWSW-MRVPVSSYSA-N 1 0 265.382 2.660 40 0 CFABRO C[C@H]1CCC[C@H](C)[NH+]1C[C@@H](O)COc1ccccc1 ZINC000013510426 372030271 /nfs/dbraw/zinc/03/02/71/372030271.db2.gz RMVNPEWAEINXLO-SOUVJXGZSA-N 1 0 263.381 2.689 40 0 CFABRO Cc1ccc(S[C@@H](C)C(=O)NCCC[NH+](C)C)cc1 ZINC000013648018 372037367 /nfs/dbraw/zinc/03/73/67/372037367.db2.gz IFTFDMKMBQYWHP-ZDUSSCGKSA-N 1 0 280.437 2.544 40 0 CFABRO COc1ccccc1C(=O)O[C@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000013756273 372047838 /nfs/dbraw/zinc/04/78/38/372047838.db2.gz KTZCSPSWFXRDPE-ZOWXZIJZSA-N 1 0 277.364 2.581 40 0 CFABRO CN1CC=CC[C@H](C2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000019695736 372180868 /nfs/dbraw/zinc/18/08/68/372180868.db2.gz CLPUOUALGYOFDW-GOSISDBHSA-N 1 0 298.430 2.933 40 0 CFABRO Cc1nnc2n1[C@H]1C[N@@H+](Cc3ccc(C)c(C)c3)C[C@H]1CC2 ZINC000019214032 372151982 /nfs/dbraw/zinc/15/19/82/372151982.db2.gz HUFUTFDCDKWSCZ-SJORKVTESA-N 1 0 296.418 2.823 40 0 CFABRO COc1ccc(COc2cccc(C(N)=[NH2+])c2)cc1 ZINC000019441018 372164505 /nfs/dbraw/zinc/16/45/05/372164505.db2.gz NJFDUQWVQWWHRV-UHFFFAOYSA-N 1 0 256.305 2.558 40 0 CFABRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccc2cccnc21 ZINC000019575148 372175899 /nfs/dbraw/zinc/17/58/99/372175899.db2.gz VBLAPMAKWRBCTI-RHSMWYFYSA-N 1 0 281.403 2.903 40 0 CFABRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1cccnc1 ZINC000024189709 372272146 /nfs/dbraw/zinc/27/21/46/372272146.db2.gz VVBSLDDUCDIVTK-UHFFFAOYSA-N 1 0 295.386 2.607 40 0 CFABRO CCCC[C@H]([C@H](O)c1ccccc1)[NH+]1CCOCC1 ZINC000031924026 372421929 /nfs/dbraw/zinc/42/19/29/372421929.db2.gz HVIAOPHTMGCYHY-HZPDHXFCSA-N 1 0 263.381 2.611 40 0 CFABRO COC(=O)C[C@H](C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000034741738 372515027 /nfs/dbraw/zinc/51/50/27/372515027.db2.gz LIRQRHLOJKKLFB-MRVPVSSYSA-N 1 0 262.136 2.599 40 0 CFABRO CC(C)(C)OC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000036533638 372580740 /nfs/dbraw/zinc/58/07/40/372580740.db2.gz JTAWTLNMZFQPJE-UHFFFAOYSA-N 1 0 254.374 2.528 40 0 CFABRO O=C(c1cc2c(s1)CCCC2)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000036613025 372582444 /nfs/dbraw/zinc/58/24/44/372582444.db2.gz KQCWFILTVIABPN-CYBMUJFWSA-N 1 0 290.432 2.547 40 0 CFABRO C[NH+](C)C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000036631472 372584125 /nfs/dbraw/zinc/58/41/25/372584125.db2.gz MVBSCHOLWMUJFM-MRXNPFEDSA-N 1 0 271.360 2.655 40 0 CFABRO Cc1ccc(NC(=O)COc2cccc(C[NH3+])c2)cc1C ZINC000036720742 372587113 /nfs/dbraw/zinc/58/71/13/372587113.db2.gz JQXRCDIRMWMBME-UHFFFAOYSA-N 1 0 284.359 2.780 40 0 CFABRO [NH3+]CCc1noc(-c2ccc(Cl)cc2Cl)n1 ZINC000041062019 372806512 /nfs/dbraw/zinc/80/65/12/372806512.db2.gz NLPUWYHDVDXIHZ-UHFFFAOYSA-N 1 0 258.108 2.545 40 0 CFABRO Cc1ccc(NC(=O)C2CC[NH2+]CC2)cc1Br ZINC000041496474 372844271 /nfs/dbraw/zinc/84/42/71/372844271.db2.gz MBTSUPYYFMOHQP-UHFFFAOYSA-N 1 0 297.196 2.696 40 0 CFABRO COc1ccc(C[NH2+]C[C@@H](C)C(=O)OC(C)(C)C)cc1 ZINC000047219119 373084598 /nfs/dbraw/zinc/08/45/98/373084598.db2.gz UAMUFQAHVFIHJJ-GFCCVEGCSA-N 1 0 279.380 2.763 40 0 CFABRO COc1ccc(CC[NH2+]CCC(=O)OC(C)(C)C)cc1 ZINC000047218978 373085469 /nfs/dbraw/zinc/08/54/69/373085469.db2.gz MHHYZKKYZNAJJU-UHFFFAOYSA-N 1 0 279.380 2.559 40 0 CFABRO c1coc(-c2nnc([C@H]3CC[N@@H+](C4CCC4)C3)o2)c1 ZINC000049169475 373273090 /nfs/dbraw/zinc/27/30/90/373273090.db2.gz FENGWRVJKLSFTG-JTQLQIEISA-N 1 0 259.309 2.671 40 0 biogenic,in-vitro CFABRO Cc1nnc([C@H]2CC[N@H+](Cc3ccccc3F)C2)o1 ZINC000049169193 373273178 /nfs/dbraw/zinc/27/31/78/373273178.db2.gz VGLWVVBTQXQPKB-LBPRGKRZSA-N 1 0 261.300 2.507 40 0 biogenic,in-vitro CFABRO COc1ccc(Cl)cc1C(=O)NCCC[NH+]1CCCC1 ZINC000061547755 373719100 /nfs/dbraw/zinc/71/91/00/373719100.db2.gz IJXUYOFDVSMWFW-UHFFFAOYSA-N 1 0 296.798 2.564 40 0 CFABRO FC(F)(F)c1ccccc1CNC1CC[NH2+]CC1 ZINC000061626299 373723535 /nfs/dbraw/zinc/72/35/35/373723535.db2.gz GWXOMSLRFLTKFF-UHFFFAOYSA-N 1 0 258.287 2.547 40 0 CFABRO C[C@@H]1Cc2ccccc2N1C(=O)CC1CC[NH+](C)CC1 ZINC000074921071 374447154 /nfs/dbraw/zinc/44/71/54/374447154.db2.gz SVIFNEOAUUSHTP-CYBMUJFWSA-N 1 0 272.392 2.696 40 0 CFABRO CC(C)[C@H]([NH3+])C(=O)NCc1cc(Cl)ccc1Cl ZINC000079420339 374609303 /nfs/dbraw/zinc/60/93/03/374609303.db2.gz IRBNLAAKOJWRIN-NSHDSACASA-N 1 0 275.179 2.593 40 0 CFABRO O=C(N[C@@H]1CCCC[C@H]1[NH2+]C1CC1)OCc1ccccc1 ZINC000079437310 374612170 /nfs/dbraw/zinc/61/21/70/374612170.db2.gz ZUACXMKULIHSCY-HZPDHXFCSA-N 1 0 288.391 2.976 40 0 CFABRO O=C(OCc1ccccc1)N(C[C@@H]1CCCC[NH2+]1)C1CC1 ZINC000079437908 374612345 /nfs/dbraw/zinc/61/23/45/374612345.db2.gz SPUSJMCVHODGHE-HNNXBMFYSA-N 1 0 288.391 2.930 40 0 CFABRO Cc1ccc([C@@H](C)NC(=O)C2CC[NH+](C)CC2)cc1 ZINC000081247636 374689486 /nfs/dbraw/zinc/68/94/86/374689486.db2.gz PRRPSKTZWNFBJZ-CYBMUJFWSA-N 1 0 260.381 2.514 40 0 CFABRO C[C@H]1CN(c2ccc(F)cc2C(F)(F)F)CC[NH2+]1 ZINC000083451838 374746597 /nfs/dbraw/zinc/74/65/97/374746597.db2.gz FWOLXOXRFXNWLP-QMMMGPOBSA-N 1 0 262.250 2.643 40 0 CFABRO Cc1c(Cl)cccc1NC(=O)[C@H]1CCC[N@@H+](C)C1 ZINC000082324712 374735172 /nfs/dbraw/zinc/73/51/72/374735172.db2.gz RWTXBUGIQUTXHF-NSHDSACASA-N 1 0 266.772 2.929 40 0 CFABRO CC(C)Oc1ccc(NC(=O)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000082331901 374737621 /nfs/dbraw/zinc/73/76/21/374737621.db2.gz QOCDGQAIQKSARF-ZDUSSCGKSA-N 1 0 276.380 2.754 40 0 CFABRO [NH3+]C1CCC(Oc2cc(C(F)(F)F)ccn2)CC1 ZINC000090396922 375010633 /nfs/dbraw/zinc/01/06/33/375010633.db2.gz MCUKMLJCTWVHRX-UHFFFAOYSA-N 1 0 260.259 2.749 40 0 CFABRO COC(=O)CCC1=CC[N@H+](Cc2ccccc2)CC1 ZINC000090514167 375017793 /nfs/dbraw/zinc/01/77/93/375017793.db2.gz OJEAIPGFIXPUDP-UHFFFAOYSA-N 1 0 259.349 2.772 40 0 CFABRO Cc1ccc(C[N@H+]2CCC[C@]3(CCCC(=O)N3C)C2)o1 ZINC000096049959 375467975 /nfs/dbraw/zinc/46/79/75/375467975.db2.gz WWHDQHNEDJQHQT-MRXNPFEDSA-N 1 0 276.380 2.565 40 0 CFABRO C(OC[C@]12CCCO[C@H]1CC[N@H+](CC1CC1)C2)C1CC1 ZINC000096057027 375469225 /nfs/dbraw/zinc/46/92/25/375469225.db2.gz WSYAFLMYEMLSBV-DLBZAZTESA-N 1 0 279.424 2.694 40 0 CFABRO CO[C@H]1CC[N@H+](Cc2nccs2)[C@H]1Cc1ccccc1 ZINC000096200378 375478059 /nfs/dbraw/zinc/47/80/59/375478059.db2.gz KOMBJEOJWYDIRC-GJZGRUSLSA-N 1 0 288.416 2.975 40 0 CFABRO CCc1ncnc2c1CC[N@H+](Cc1cccs1)CC2 ZINC000096255011 375481164 /nfs/dbraw/zinc/48/11/64/375481164.db2.gz CDGDBLYNUJDPRL-UHFFFAOYSA-N 1 0 273.405 2.701 40 0 CFABRO O=C(c1ccco1)N1CCC2(CC1)C[NH2+]Cc1ccccc12 ZINC000096242532 375481187 /nfs/dbraw/zinc/48/11/87/375481187.db2.gz WGNUGAJOIHVKBN-UHFFFAOYSA-N 1 0 296.370 2.557 40 0 CFABRO CC(C)c1cc(C[NH2+]Cc2cccc(O)c2)n(C)n1 ZINC000256054686 190005404 /nfs/dbraw/zinc/00/54/04/190005404.db2.gz XIXFHMOJEFXSKK-UHFFFAOYSA-N 1 0 259.353 2.539 40 0 CFABRO O[C@H]([C@H]1CCC[N@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000100482117 375623514 /nfs/dbraw/zinc/62/35/14/375623514.db2.gz LPHOHFFMCAPPFF-QWHCGFSZSA-N 1 0 273.298 2.822 40 0 CFABRO FC(F)(F)Cn1nccc1C[NH2+]Cc1cccs1 ZINC000256049634 190002770 /nfs/dbraw/zinc/00/27/70/190002770.db2.gz ASIAPLQVYOLRJE-UHFFFAOYSA-N 1 0 275.299 2.797 40 0 CFABRO COc1ccc(C[NH2+]Cc2cnn(CC(F)(F)F)c2)cc1 ZINC000256050762 190003005 /nfs/dbraw/zinc/00/30/05/190003005.db2.gz GKCSPSQZGBOWMT-UHFFFAOYSA-N 1 0 299.296 2.744 40 0 CFABRO FC(F)n1ccc(C[NH2+]CCc2ccccc2)n1 ZINC000256051813 190003965 /nfs/dbraw/zinc/00/39/65/190003965.db2.gz KORGELDBPHXNKB-UHFFFAOYSA-N 1 0 251.280 2.611 40 0 CFABRO CCCCC[C@H]1[C@@H](CC(=O)OC)CC[C@H]1[NH2+]CCN(C)C ZINC000101848670 375656647 /nfs/dbraw/zinc/65/66/47/375656647.db2.gz XFNDXCULCBDGRM-OWCLPIDISA-N 1 0 298.471 2.676 40 0 CFABRO CCCn1cc(C[NH2+]Cc2cn(C(C)C)nc2C)cn1 ZINC000256054687 190005707 /nfs/dbraw/zinc/00/57/07/190005707.db2.gz XJCVOILTMOVRJU-UHFFFAOYSA-N 1 0 275.400 2.669 40 0 CFABRO CC(=O)N1[C@@H]2CCC[C@@H]3[NH2+][C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257209397 190012008 /nfs/dbraw/zinc/01/20/08/190012008.db2.gz BQESTLXRTGIMDE-FKSLSLAPSA-N 1 0 298.430 2.749 40 0 CFABRO Cc1cc(CC[C@@H]2CCC[N@@H+]2Cc2cnc[nH]2)ccn1 ZINC000257211914 190012710 /nfs/dbraw/zinc/01/27/10/190012710.db2.gz CBAZOJOLUUFDCK-INIZCTEOSA-N 1 0 270.380 2.710 40 0 CFABRO Cc1c[nH]c([C@@H]2CC[N@H+](Cc3ccccc3F)C2)n1 ZINC000257225059 190015772 /nfs/dbraw/zinc/01/57/72/190015772.db2.gz FEQBNLSJSLWKMQ-CYBMUJFWSA-N 1 0 259.328 2.847 40 0 CFABRO O=C1CCC[C@]2(C[N@H+](CC3CCC3)C[C@H]2c2ccccc2)N1 ZINC000257232405 190016762 /nfs/dbraw/zinc/01/67/62/190016762.db2.gz GKSVPYBBKBWWEP-PKOBYXMFSA-N 1 0 298.430 2.925 40 0 CFABRO c1cncc(O[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccncc4)C[C@H]23)c1 ZINC000257234644 190016823 /nfs/dbraw/zinc/01/68/23/190016823.db2.gz GUMYAPSFVNBOCC-BPQIPLTHSA-N 1 0 295.386 2.766 40 0 CFABRO CCCCC[C@]1(O)CC[NH2+]C[C@@H]1Oc1ccccc1 ZINC000257259138 190021902 /nfs/dbraw/zinc/02/19/02/190021902.db2.gz KXAWPHUIITUDEM-HOTGVXAUSA-N 1 0 263.381 2.739 40 0 CFABRO CC/C=C(/C)C(=O)N1CC[C@@H]2CC[C@H](C1)[N@@H+]2C(C)C ZINC000104187159 375771699 /nfs/dbraw/zinc/77/16/99/375771699.db2.gz YCGMPHXTWRYMTJ-TUJBUDNFSA-N 1 0 264.413 2.816 40 0 CFABRO CC(=O)N1CCCCC[C@@H]2[NH2+]C[C@@H](c3ccccc3)[C@@H]21 ZINC000257263978 190022304 /nfs/dbraw/zinc/02/23/04/190022304.db2.gz LSJAEMWPFXCQTQ-ULQDDVLXSA-N 1 0 272.392 2.533 40 0 CFABRO Fc1ccc(C[N@@H+]2CC[C@H](c3ccnc4nccn43)C2)cc1 ZINC000257278432 190025835 /nfs/dbraw/zinc/02/58/35/190025835.db2.gz OCGGTVNQUYLLDJ-AWEZNQCLSA-N 1 0 296.349 2.858 40 0 CFABRO CC(C)n1nccc1C[N@@H+]1CCC[C@H](Cc2cc[nH]n2)C1 ZINC000257284757 190026092 /nfs/dbraw/zinc/02/60/92/190026092.db2.gz PEEKKGGUBSKORB-CQSZACIVSA-N 1 0 287.411 2.642 40 0 CFABRO Cc1cc(C)nc(Nc2cccc(CC3CC[NH2+]CC3)n2)n1 ZINC000257282013 190026629 /nfs/dbraw/zinc/02/66/29/190026629.db2.gz ORXMENLGOGGRHW-UHFFFAOYSA-N 1 0 297.406 2.774 40 0 CFABRO CC(C)[N@@H+]1CCC[C@@H](Cc2cnc(-c3nccn3C)cn2)C1 ZINC000257285807 190026963 /nfs/dbraw/zinc/02/69/63/190026963.db2.gz PIZCFAXEJGDEJK-AWEZNQCLSA-N 1 0 299.422 2.540 40 0 CFABRO O=C(CCc1cccs1)N1CCC[C@H]2[NH2+]CCCC[C@@H]21 ZINC000257305636 190031379 /nfs/dbraw/zinc/03/13/79/190031379.db2.gz SQVUFVMXQZDUJB-CABCVRRESA-N 1 0 292.448 2.814 40 0 CFABRO c1cc([C@H]2CC[N@@H+](Cc3ccnc4ccccc34)C2)n[nH]1 ZINC000257311862 190031915 /nfs/dbraw/zinc/03/19/15/190031915.db2.gz ULHXLYHNIRBPQK-AWEZNQCLSA-N 1 0 278.359 2.947 40 0 CFABRO Cc1nc(-c2ccnn2C(C)C)cc([C@@H]2CCC[N@@H+]2C)n1 ZINC000257319882 190033371 /nfs/dbraw/zinc/03/33/71/190033371.db2.gz VULCYOLBBIOKFH-HNNXBMFYSA-N 1 0 285.395 2.996 40 0 CFABRO Cc1cc(-c2nccnc2[C@@H]2CCC[N@@H+](C(C)C)C2)n[nH]1 ZINC000257319333 190033718 /nfs/dbraw/zinc/03/37/18/190033718.db2.gz VRXYLUFQQRUVGN-CYBMUJFWSA-N 1 0 285.395 2.763 40 0 CFABRO Cc1cc(-c2cncc([C@@H]3CCC[N@@H+](C(C)C)C3)n2)n[nH]1 ZINC000257335655 190036731 /nfs/dbraw/zinc/03/67/31/190036731.db2.gz YLGBBTMOEYORFG-CYBMUJFWSA-N 1 0 285.395 2.763 40 0 CFABRO CCn1nccc1-c1cnc([C@@H]2CCC[N@@H+](C(C)C)C2)cn1 ZINC000257342776 190037754 /nfs/dbraw/zinc/03/77/54/190037754.db2.gz ZQDDFDBVNHNFQS-CQSZACIVSA-N 1 0 299.422 2.948 40 0 CFABRO CCNc1cc(N2CCc3ccccc3C2)nc(C)[nH+]1 ZINC000127664398 377294814 /nfs/dbraw/zinc/29/48/14/377294814.db2.gz HFXLPOFNWNPXSB-UHFFFAOYSA-N 1 0 268.364 2.780 40 0 CFABRO O=C(c1ccsc1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000257231627 296278591 /nfs/dbraw/zinc/27/85/91/296278591.db2.gz GHNSSVUTJNANHJ-AWEZNQCLSA-N 1 0 272.373 2.535 40 0 CFABRO CCCn1nccc1C[NH2+]Cc1cccc(OC)c1 ZINC000160090850 378749084 /nfs/dbraw/zinc/74/90/84/378749084.db2.gz BFTLYLSKGOODNQ-UHFFFAOYSA-N 1 0 259.353 2.592 40 0 CFABRO C[NH+]1CCC(C(=O)NCCCc2ccc(Cl)cc2)CC1 ZINC000172730766 379635180 /nfs/dbraw/zinc/63/51/80/379635180.db2.gz QGCYXRVNYDFIJM-UHFFFAOYSA-N 1 0 294.826 2.731 40 0 CFABRO [NH3+][C@H]1CC[C@H](Oc2ncccc2C(F)(F)F)CC1 ZINC000299909432 382053335 /nfs/dbraw/zinc/05/33/35/382053335.db2.gz MWAYOKSFXIIINO-KYZUINATSA-N 1 0 260.259 2.749 40 0 CFABRO [NH3+]Cc1nnc2ccc(-c3ccc(Cl)cc3Cl)nn21 ZINC000217554038 382786858 /nfs/dbraw/zinc/78/68/58/382786858.db2.gz YGHIMZHGKLVZGS-UHFFFAOYSA-N 1 0 294.145 2.557 40 0 CFABRO Cc1ccc(-c2ccc3nnc([C@H]4CCC[NH2+]4)n3n2)cc1C ZINC000217555915 382786953 /nfs/dbraw/zinc/78/69/53/382786953.db2.gz RHNLDBZEGDRHHM-OAHLLOKOSA-N 1 0 293.374 2.833 40 0 CFABRO COc1ccc(Cl)c2c(NCCC[NH3+])cc(C)nc12 ZINC000222691893 382803157 /nfs/dbraw/zinc/80/31/57/382803157.db2.gz QLIFAMZPGAKJAK-UHFFFAOYSA-N 1 0 279.771 2.966 40 0 CFABRO COCCCn1c(C)cc(C[NH2+]CC(C)C)c1C ZINC000223661054 382806184 /nfs/dbraw/zinc/80/61/84/382806184.db2.gz NWEHIPSAMAJHBD-UHFFFAOYSA-N 1 0 252.402 2.887 40 0 CFABRO COCC[NH2+]Cc1cccn1-c1ccc(C)c(C)c1 ZINC000223682327 382806274 /nfs/dbraw/zinc/80/62/74/382806274.db2.gz FZXGQXXSNPOHHE-UHFFFAOYSA-N 1 0 258.365 2.830 40 0 CFABRO COc1ccc(C(=O)NCCC[NH+]2CCCCC2)cc1C ZINC000225124231 382813141 /nfs/dbraw/zinc/81/31/41/382813141.db2.gz LJHOIGHOFSDZNC-UHFFFAOYSA-N 1 0 290.407 2.609 40 0 CFABRO CCC[n+]1cccc(-c2nc3ccc(N)cc3o2)c1 ZINC000226777885 382831727 /nfs/dbraw/zinc/83/17/27/382831727.db2.gz SKYDRKDSOKDXDC-UHFFFAOYSA-N 1 0 254.313 2.775 40 0 CFABRO [NH3+]C[C@@H](Cc1nc2ccccc2s1)C(F)(F)F ZINC000256052623 383488776 /nfs/dbraw/zinc/48/87/76/383488776.db2.gz OBUXHTWCYXTCLM-SSDOTTSWSA-N 1 0 260.284 2.976 40 0 CFABRO CNc1nc([C@@H]2CC[N@@H+](C(C)C)C2)cn2cccc12 ZINC000257327450 383494548 /nfs/dbraw/zinc/49/45/48/383494548.db2.gz XBKKPDPNYZYADB-GFCCVEGCSA-N 1 0 258.369 2.574 40 0 CFABRO CC1(C)Oc2c(O)cccc2[C@H]2O[C@H]3CCC[NH2+][C@H]3C[C@@H]21 ZINC000257345030 383495836 /nfs/dbraw/zinc/49/58/36/383495836.db2.gz ZZQNZZAWRCRELY-NZBPQXDJSA-N 1 0 289.375 2.761 40 0 CFABRO Fc1cc(F)cc(N2CC[NH2+][C@H]3CCCC[C@@H]32)c1 ZINC000225714089 256699841 /nfs/dbraw/zinc/69/98/41/256699841.db2.gz TZHBYZDJUDYFKG-KBPBESRZSA-N 1 0 252.308 2.686 40 0 CFABRO CCC[C@@H]([NH2+]CC)C(=O)c1ccc(OC)c(OC)c1 ZINC000299817340 393463793 /nfs/dbraw/zinc/46/37/93/393463793.db2.gz WZVCLFAACAERMB-GFCCVEGCSA-N 1 0 265.353 2.665 40 0 in-vitro CFABRO Cc1cc2cc(C(=O)N[C@@H]3CCC[N@@H+](C)C3)ccc2o1 ZINC000019126464 393483573 /nfs/dbraw/zinc/48/35/73/393483573.db2.gz CAABTFKRUCALLJ-CQSZACIVSA-N 1 0 272.348 2.565 40 0 CFABRO Cc1cccc(OC[C@H](O)C[N@H+]2CCCC[C@H]2C)c1C ZINC000017135696 393484028 /nfs/dbraw/zinc/48/40/28/393484028.db2.gz WCIWGAPSFOBMTR-GDBMZVCRSA-N 1 0 277.408 2.918 40 0 CFABRO CC(C)c1scnc1NC(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000333349071 393566126 /nfs/dbraw/zinc/56/61/26/393566126.db2.gz REYLKFOPGOFBMK-SECBINFHSA-N 1 0 282.413 2.529 40 0 CFABRO Brc1cccc(C[C@@H]2CCC[NH2+]C2)c1 ZINC000057958088 393623225 /nfs/dbraw/zinc/62/32/25/393623225.db2.gz OQMGNSSAEYCFRL-NSHDSACASA-N 1 0 254.171 2.991 40 0 CFABRO CCSc1ncc(C[NH2+]Cc2cccs2)cn1 ZINC000062717294 393627190 /nfs/dbraw/zinc/62/71/90/393627190.db2.gz KCRWTEUQKPUPPG-UHFFFAOYSA-N 1 0 265.407 2.940 40 0 CFABRO CNc1ncc(C[NH2+]CCc2ccc(Cl)cc2)cn1 ZINC000062717483 393627276 /nfs/dbraw/zinc/62/72/76/393627276.db2.gz MNWDAVASDHRTNN-UHFFFAOYSA-N 1 0 276.771 2.504 40 0 CFABRO CCC[C@H]([NH2+]Cc1cnc(N)nc1)c1ccccc1 ZINC000062717394 393627722 /nfs/dbraw/zinc/62/77/22/393627722.db2.gz KRDFBXROQNLRHK-AWEZNQCLSA-N 1 0 256.353 2.690 40 0 CFABRO CCOC(=O)C[C@H]([NH2+]C1CC1)c1ccc(F)cc1 ZINC000072210280 393643484 /nfs/dbraw/zinc/64/34/84/393643484.db2.gz RVEHGMQQNKBGJX-ZDUSSCGKSA-N 1 0 251.301 2.572 40 0 CFABRO CCCC[N@@H+]1CCC[C@@H]1c1ccc(N2CCOCC2)nc1 ZINC000072216167 393644976 /nfs/dbraw/zinc/64/49/76/393644976.db2.gz NHSHSYMGWXTPSS-MRXNPFEDSA-N 1 0 289.423 2.855 40 0 CFABRO Cc1cc(N2CCc3ccccc3C2)ncc1[C@H](C)[NH3+] ZINC000072223896 393647257 /nfs/dbraw/zinc/64/72/57/393647257.db2.gz UGLGDLLWTSMBTB-ZDUSSCGKSA-N 1 0 267.376 2.972 40 0 CFABRO CCS(=O)(=O)C[C@H]([NH3+])c1ccc(-c2ccccc2)cc1 ZINC000081925054 393738116 /nfs/dbraw/zinc/73/81/16/393738116.db2.gz MYHIVYAFEOZZGI-INIZCTEOSA-N 1 0 289.400 2.788 40 0 CFABRO CC[C@H]([C@@H]([NH3+])c1cccc(Cl)c1)S(=O)(=O)CC ZINC000096524934 393838129 /nfs/dbraw/zinc/83/81/29/393838129.db2.gz NBWHWZSVHBJGPG-NEPJUHHUSA-N 1 0 275.801 2.553 40 0 CFABRO CC(C)CC[N@@H+]1C[C@@H]2C[C@H]1C(=O)N(C)c1ccccc1O2 ZINC000096111909 393816123 /nfs/dbraw/zinc/81/61/23/393816123.db2.gz QHWOZMCOTQFICZ-ZFWWWQNUSA-N 1 0 288.391 2.531 40 0 biogenic,in-vitro CFABRO COCCn1cc([C@H](C[NH3+])C(F)(F)F)c2ccccc21 ZINC000096529475 393839015 /nfs/dbraw/zinc/83/90/15/393839015.db2.gz XUSKBGZATDJZNB-LBPRGKRZSA-N 1 0 286.297 2.892 40 0 CFABRO Cc1ccc(C[N@@H+]2CC[C@H]3[C@H]2CCN3c2ncc(C)cn2)o1 ZINC000107709558 393871241 /nfs/dbraw/zinc/87/12/41/393871241.db2.gz IZMZZAPECJEEMO-CVEARBPZSA-N 1 0 298.390 2.540 40 0 CFABRO [NH3+][C@@H](c1ccccc1)c1ccnc(Br)c1 ZINC000098181679 393842819 /nfs/dbraw/zinc/84/28/19/393842819.db2.gz UCNTZLPVZOLGNW-LBPRGKRZSA-N 1 0 263.138 2.892 40 0 CFABRO CC(C)[C@H](NC(=O)OC(C)(C)C)[C@H]([NH3+])C(C)(C)C ZINC000072208956 397590596 /nfs/dbraw/zinc/59/05/96/397590596.db2.gz AOFPFNVVWPZLMO-QWRGUYRKSA-N 1 0 258.406 2.909 40 0 CFABRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccc(Cl)nc1 ZINC000001725041 169750753 /nfs/dbraw/zinc/75/07/53/169750753.db2.gz NDRNTIUILXDCAC-LBPRGKRZSA-N 1 0 297.830 2.975 40 0 CFABRO C[n+]1ccc(/C=C\c2ccnc3c(O)cccc23)cc1 ZINC000004830544 170025297 /nfs/dbraw/zinc/02/52/97/170025297.db2.gz RMVPFZCWARVGPA-UHFFFAOYSA-O 1 0 263.320 2.935 40 0 CFABRO CCOc1ccc(Br)cc1CSC(N)=[NH2+] ZINC000005017752 170056279 /nfs/dbraw/zinc/05/62/79/170056279.db2.gz KQYMEUWGNWTQNR-UHFFFAOYSA-N 1 0 289.198 2.974 40 0 CFABRO Cn1cccc1C[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000005066045 170063008 /nfs/dbraw/zinc/06/30/08/170063008.db2.gz NFCLHGXZFMHDTD-UHFFFAOYSA-N 1 0 283.419 2.779 40 0 CFABRO CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)c1cc[n+](C)cc1 ZINC000005496289 170104407 /nfs/dbraw/zinc/10/44/07/170104407.db2.gz IOONLHCKDARESF-FVQBIDKESA-O 1 0 275.416 2.702 40 0 CFABRO Cc1ccc(NC(=S)NCCC[NH+](C)C)cc1Cl ZINC000007353978 170279303 /nfs/dbraw/zinc/27/93/03/170279303.db2.gz NGXPYUSLGBRSJM-UHFFFAOYSA-N 1 0 285.844 2.887 40 0 CFABRO C[C@H]([NH2+]C[C@H](O)COC(C)(C)C)c1ccccc1 ZINC000007636334 170294298 /nfs/dbraw/zinc/29/42/98/170294298.db2.gz SDDLOZBXFNVCLQ-JSGCOSHPSA-N 1 0 251.370 2.513 40 0 CFABRO CC1CC[NH+](CCCOc2ccccc2C=O)CC1 ZINC000008731566 170351245 /nfs/dbraw/zinc/35/12/45/170351245.db2.gz GGLVZEXAPNQCRG-UHFFFAOYSA-N 1 0 261.365 3.000 40 0 CFABRO COc1cc(C=O)ccc1OCC[N@@H+]1CCC[C@H](C)C1 ZINC000009261305 170369504 /nfs/dbraw/zinc/36/95/04/170369504.db2.gz NVTIZANZXKWMCV-ZDUSSCGKSA-N 1 0 277.364 2.618 40 0 CFABRO Cc1ccc(NC(=S)NC[C@H]2CCC[N@@H+](C)C2)c(C)c1 ZINC000009876134 170388524 /nfs/dbraw/zinc/38/85/24/170388524.db2.gz NJSQGKUYWSNBJS-CQSZACIVSA-N 1 0 291.464 2.932 40 0 CFABRO O=C(NCC[C@@H](c1ccco1)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000012181864 170471884 /nfs/dbraw/zinc/47/18/84/170471884.db2.gz SGBSNYIIOCOZHR-CVEARBPZSA-N 1 0 298.386 2.670 40 0 CFABRO C[NH2+]CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000019471082 170804820 /nfs/dbraw/zinc/80/48/20/170804820.db2.gz ZMJDETMWXGXYGL-UHFFFAOYSA-N 1 0 256.305 2.637 40 0 CFABRO COc1ccc([C@@H]2C[NH2+][C@H]3CCCC[C@H]23)cc1OC ZINC000019560308 170827314 /nfs/dbraw/zinc/82/73/14/170827314.db2.gz OPRYKPBAEBDSPG-RDBSUJKOSA-N 1 0 261.365 2.949 40 0 CFABRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(F)cc1F ZINC000019575756 170828478 /nfs/dbraw/zinc/82/84/78/170828478.db2.gz GJTSGSCKRTWULI-SMDDNHRTSA-N 1 0 266.335 2.633 40 0 CFABRO c1ccc(CN2CC[NH+]([C@H]3C[C@H]4CC[C@@H]3C4)CC2)cc1 ZINC000019636963 170832977 /nfs/dbraw/zinc/83/29/77/170832977.db2.gz NFMXUROKUTYOGX-KSZLIROESA-N 1 0 270.420 2.993 40 0 CFABRO Cc1ccc2ncccc2c1NC(=O)CC1CC[NH2+]CC1 ZINC000019746066 170852148 /nfs/dbraw/zinc/85/21/48/170852148.db2.gz IIHQKIKQQFQDLJ-UHFFFAOYSA-N 1 0 283.375 2.871 40 0 CFABRO CCOc1ccc(-c2noc(C3CC[NH2+]CC3)n2)cc1 ZINC000020268755 171125028 /nfs/dbraw/zinc/12/50/28/171125028.db2.gz PMEKHVAIZQGYNC-UHFFFAOYSA-N 1 0 273.336 2.602 40 0 CFABRO CCn1cc(C[NH2+]Cc2ccccc2OC)c(C)n1 ZINC000020349217 171155391 /nfs/dbraw/zinc/15/53/91/171155391.db2.gz DYUMBSAIOLSMJD-UHFFFAOYSA-N 1 0 259.353 2.510 40 0 CFABRO O=C(OCc1ccccc1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000021982907 171344616 /nfs/dbraw/zinc/34/46/16/171344616.db2.gz ARGCRCXTJMQKNA-ILXRZTDVSA-N 1 0 259.349 2.651 40 0 CFABRO Cc1cccc(NC(=O)COc2ccc(C[NH3+])cc2)c1C ZINC000022220768 171377982 /nfs/dbraw/zinc/37/79/82/171377982.db2.gz CBWUTMPUZIVSRO-UHFFFAOYSA-N 1 0 284.359 2.780 40 0 CFABRO O[C@H](c1ccccc1)[C@@H](Cc1ccccc1)[NH+]1CCOCC1 ZINC000031923834 171662962 /nfs/dbraw/zinc/66/29/62/171662962.db2.gz BWITYFGGGWKHRC-RTBURBONSA-N 1 0 297.398 2.664 40 0 CFABRO [NH3+][C@H]1CCCN(Cc2ccc(Cl)c(Cl)c2)C1 ZINC000038539772 174145205 /nfs/dbraw/zinc/14/52/05/174145205.db2.gz XAWXXOULXFCLHF-JTQLQIEISA-N 1 0 259.180 2.917 40 0 CFABRO CCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000038832138 174157102 /nfs/dbraw/zinc/15/71/02/174157102.db2.gz XPTGMZYOINEEDB-CYBMUJFWSA-N 1 0 280.799 2.688 40 0 CFABRO Cc1cccc(OC[C@@H](O)C[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000004276566 292572594 /nfs/dbraw/zinc/57/25/94/292572594.db2.gz KGUWUSOKGHJKGH-JYJNAYRXSA-N 1 0 277.408 2.713 40 0 CFABRO C[C@H]1C[NH2+]CCN1C(=O)c1ccc(-c2ccccc2)cc1 ZINC000071978926 176307574 /nfs/dbraw/zinc/30/75/74/176307574.db2.gz IQOAXPHLAHQTIB-AWEZNQCLSA-N 1 0 280.371 2.788 40 0 CFABRO CN(Cc1c(F)cccc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000072203586 176341377 /nfs/dbraw/zinc/34/13/77/176341377.db2.gz ZFGDFDHBPFSXKB-SNVBAGLBSA-N 1 0 256.752 2.663 40 0 CFABRO Cc1ccsc1CN1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000072324474 176369718 /nfs/dbraw/zinc/36/97/18/176369718.db2.gz HBMBWBRSPONVQT-QWHCGFSZSA-N 1 0 250.411 2.725 40 0 CFABRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(Br)o1 ZINC000072324568 176369813 /nfs/dbraw/zinc/36/98/13/176369813.db2.gz KJAVUNFFXFBSSK-QWRGUYRKSA-N 1 0 299.212 2.711 40 0 CFABRO Clc1cccc(OCCc2cc([C@@H]3CC[NH2+]C3)[nH]n2)c1 ZINC000072344103 176372565 /nfs/dbraw/zinc/37/25/65/176372565.db2.gz KEOWHFISTJISJH-LLVKDONJSA-N 1 0 291.782 2.762 40 0 CFABRO CC(C)[NH+]1CCC(c2ccnc(Nc3cncnc3)n2)CC1 ZINC000072354961 176375012 /nfs/dbraw/zinc/37/50/12/176375012.db2.gz UIJNUNCDSLKHEJ-UHFFFAOYSA-N 1 0 298.394 2.598 40 0 CFABRO CN(C)c1ccc(C2CC[NH+](Cc3ccncc3)CC2)nc1 ZINC000072363780 176378519 /nfs/dbraw/zinc/37/85/19/176378519.db2.gz WEZNKHQBQZNIOF-UHFFFAOYSA-N 1 0 296.418 2.922 40 0 CFABRO Cc1cc(NCc2ccccn2)nc([C@H]2CCC[N@@H+](C)C2)n1 ZINC000072364718 176379781 /nfs/dbraw/zinc/37/97/81/176379781.db2.gz DDEZYYRSGIVHJX-AWEZNQCLSA-N 1 0 297.406 2.601 40 0 CFABRO COc1ccccc1Cc1cnc([C@H]2CCC[NH2+]C2)cn1 ZINC000072365272 176380674 /nfs/dbraw/zinc/38/06/74/176380674.db2.gz IJZXINBYVYDHJX-AWEZNQCLSA-N 1 0 283.375 2.543 40 0 CFABRO O[C@@H]1CCCC[C@H]1[NH+]1CCC(c2ccccn2)CC1 ZINC000072367459 176381579 /nfs/dbraw/zinc/38/15/79/176381579.db2.gz GMAHBLDSRWHHLL-HZPDHXFCSA-N 1 0 260.381 2.565 40 0 CFABRO Cc1nc(Nc2ncccn2)cc([C@@H]2CCC[N@H+]2C(C)C)n1 ZINC000072382644 176388372 /nfs/dbraw/zinc/38/83/72/176388372.db2.gz GAAWHYBTLMLRQF-AWEZNQCLSA-N 1 0 298.394 2.864 40 0 CFABRO CN(c1ccccc1)c1ccc(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000072384575 176388751 /nfs/dbraw/zinc/38/87/51/176388751.db2.gz BYLHPCYREDYYMO-AWEZNQCLSA-N 1 0 282.391 2.787 40 0 CFABRO Fc1ccccc1C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000072384961 176389021 /nfs/dbraw/zinc/38/90/21/176389021.db2.gz ZOUJGORIBRJOIA-CYBMUJFWSA-N 1 0 259.328 2.928 40 0 CFABRO Cc1nc(-c2ccccc2)cc([C@@H]2CCC[NH2+]C2)n1 ZINC000072384531 176389034 /nfs/dbraw/zinc/38/90/34/176389034.db2.gz HDQOSMRDSMEUGI-CQSZACIVSA-N 1 0 253.349 2.919 40 0 CFABRO Cc1nc(NC2CCCCC2)cc([C@@H]2CCC[NH2+]C2)n1 ZINC000072386442 176391604 /nfs/dbraw/zinc/39/16/04/176391604.db2.gz BJNMNGOOVXZNDK-CYBMUJFWSA-N 1 0 274.412 2.997 40 0 CFABRO Cc1cc(NC2CCCCC2)nc(C2CC[NH2+]CC2)n1 ZINC000072386441 176391650 /nfs/dbraw/zinc/39/16/50/176391650.db2.gz ODKWNOLGNABOHP-UHFFFAOYSA-N 1 0 274.412 2.997 40 0 CFABRO C[N@@H+]1CCC[C@H]1c1cccc(NCc2ccncc2)n1 ZINC000072386713 176392232 /nfs/dbraw/zinc/39/22/32/176392232.db2.gz IZIOCNRMGFPVNW-HNNXBMFYSA-N 1 0 268.364 2.855 40 0 CFABRO c1cc(C[NH+]2CCC(c3[nH]nc4nccnc43)CC2)cs1 ZINC000072393759 176394401 /nfs/dbraw/zinc/39/44/01/176394401.db2.gz ZYUJWEAYHPYIMT-UHFFFAOYSA-N 1 0 299.403 2.794 40 0 CFABRO [NH3+]CCN(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000076667942 177052126 /nfs/dbraw/zinc/05/21/26/177052126.db2.gz OOAUDUJVHFLBBU-UHFFFAOYSA-N 1 0 259.180 2.917 40 0 CFABRO C[NH+]1CCC(NC(=O)/C=C/c2ccccc2Cl)CC1 ZINC000078472905 177344387 /nfs/dbraw/zinc/34/43/87/177344387.db2.gz DDZZZZBMQPGMPJ-VOTSOKGWSA-N 1 0 278.783 2.564 40 0 CFABRO O[C@@H](C[NH+]1CCCCC1)c1ccc(Br)cc1 ZINC000001668337 275050997 /nfs/dbraw/zinc/05/09/97/275050997.db2.gz FHJSNJBZHDUZSG-ZDUSSCGKSA-N 1 0 284.197 2.968 40 0 CFABRO Brc1ccc2c(c1)[C@@]1(CC[NH2+]1)CCC2 ZINC000306145831 275372037 /nfs/dbraw/zinc/37/20/37/275372037.db2.gz RUUGQAKZPZKLBQ-LBPRGKRZSA-N 1 0 252.155 2.974 40 0 CFABRO CC(C)[C@H]1CC[C@H](C)C[C@H]1NC(=O)c1cc[n+](C)cc1 ZINC000005496290 275709367 /nfs/dbraw/zinc/70/93/67/275709367.db2.gz IOONLHCKDARESF-NUEKZKHPSA-O 1 0 275.416 2.702 40 0 CFABRO CC(C)(C)OC(=O)NCC12CCC(C[NH3+])(CC1)CC2 ZINC000306145438 278427668 /nfs/dbraw/zinc/42/76/68/278427668.db2.gz FKXAWIRSELSCGL-UHFFFAOYSA-N 1 0 268.401 2.810 40 0 CFABRO CC[NH+]1CCC2(CC1)CC(=O)c1cc(OC)ccc1O2 ZINC000165303124 279262819 /nfs/dbraw/zinc/26/28/19/279262819.db2.gz IUKQBXUORRJKSZ-UHFFFAOYSA-N 1 0 275.348 2.515 40 0 CFABRO CC(C)[C@H]([NH3+])C(=O)N([C@H](C)c1ccc(F)cc1)C1CC1 ZINC000079418805 280271618 /nfs/dbraw/zinc/27/16/18/280271618.db2.gz BHRGMOAHEGGWFH-ABAIWWIYSA-N 1 0 278.371 2.861 40 0 CFABRO Cc1cc(C(F)(F)F)n2nc(C3CC[NH2+]CC3)cc2n1 ZINC000257198260 280377349 /nfs/dbraw/zinc/37/73/49/280377349.db2.gz XLIHTJWNOPDGRJ-UHFFFAOYSA-N 1 0 284.285 2.524 40 0 CFABRO Cc1ccc2c(c1)nc1n2[C@@H](C[NH2+]C2CCC2)COC1 ZINC000096112807 281132266 /nfs/dbraw/zinc/13/22/66/281132266.db2.gz NXOKTKMMCANEFD-ZDUSSCGKSA-N 1 0 271.364 2.558 40 0 biogenic,in-vitro CFABRO CN1C(=O)c2ccccc2[C@H](C[NH3+])[C@H]1c1ccccc1 ZINC000033413931 289860088 /nfs/dbraw/zinc/86/00/88/289860088.db2.gz ACCZWCMYOMVCAQ-JKSUJKDBSA-N 1 0 266.344 2.556 40 0 CFABRO C[C@H](NC(=O)[C@@H]1CCC[NH2+]C1)C12CC3CC(CC(C3)C1)C2 ZINC000019410294 289902290 /nfs/dbraw/zinc/90/22/90/289902290.db2.gz LLBDCHCNWSXLKN-ZHGJIWRESA-N 1 0 290.451 2.707 40 0 CFABRO COc1ccc(C[NH2+]Cc2cnc(NC(C)C)nc2)cc1 ZINC000062717634 333175808 /nfs/dbraw/zinc/17/58/08/333175808.db2.gz BBEYJGXKBXTSMJ-UHFFFAOYSA-N 1 0 286.379 2.595 40 0 CFABRO C[NH+]1CCC(CC(=O)N2CCCc3ccccc32)CC1 ZINC000074920985 536335892 /nfs/dbraw/zinc/33/58/92/536335892.db2.gz VJGGBWLDFBQPMO-UHFFFAOYSA-N 1 0 272.392 2.698 40 0 CFABRO COc1cccc(-c2nnc([C@H]([NH3+])Cc3ccccc3)[nH]2)c1 ZINC000095534840 185008530 /nfs/dbraw/zinc/00/85/30/185008530.db2.gz JXEJTKZINGXWBC-OAHLLOKOSA-N 1 0 294.358 2.723 40 0 CFABRO COC[C@]12CCCO[C@H]1CC[N@H+](Cc1ccc(C)o1)C2 ZINC000096038985 185068874 /nfs/dbraw/zinc/06/88/74/185068874.db2.gz GKOXGLMHTKTTGE-JKSUJKDBSA-N 1 0 279.380 2.606 40 0 CFABRO COC[C@]12CCCO[C@@H]1CC[N@H+](Cc1ccc(C)o1)C2 ZINC000096038984 185069605 /nfs/dbraw/zinc/06/96/05/185069605.db2.gz GKOXGLMHTKTTGE-HZPDHXFCSA-N 1 0 279.380 2.606 40 0 CFABRO Cc1ccc(C[NH+]2CCC3(CCN(C)C3=O)CC2)s1 ZINC000096046713 185071308 /nfs/dbraw/zinc/07/13/08/185071308.db2.gz QKLQYWRDAJHHJY-UHFFFAOYSA-N 1 0 278.421 2.501 40 0 CFABRO CCO[C@H]1COC2(C1)CC[NH+](Cc1ccc(C)o1)CC2 ZINC000096048102 185072380 /nfs/dbraw/zinc/07/23/80/185072380.db2.gz MLHHEWQTODOAIP-OAHLLOKOSA-N 1 0 279.380 2.748 40 0 CFABRO CN1C(=O)CCC[C@]12CCC[N@H+](Cc1cccs1)C2 ZINC000096049950 185073830 /nfs/dbraw/zinc/07/38/30/185073830.db2.gz XCHVUMMIKRIEPD-OAHLLOKOSA-N 1 0 278.421 2.725 40 0 CFABRO c1ccc(CO[C@@H]2CO[C@@]3(CC[N@H+](CC4CC4)C3)C2)cc1 ZINC000096072381 185088199 /nfs/dbraw/zinc/08/81/99/185088199.db2.gz HYELJXGNOUSMAT-ROUUACIJSA-N 1 0 287.403 2.847 40 0 CFABRO CO[C@@H]1COC2(C1)CC[NH+](Cc1ccccc1C)CC2 ZINC000096106532 185098655 /nfs/dbraw/zinc/09/86/55/185098655.db2.gz SWLACDBJMBICLK-INIZCTEOSA-N 1 0 275.392 2.765 40 0 CFABRO CCO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1cccs1)C2 ZINC000096107212 185099218 /nfs/dbraw/zinc/09/92/18/185099218.db2.gz QATINGISQUSVMP-HIFRSBDPSA-N 1 0 281.421 2.908 40 0 CFABRO Cc1nccn1-c1cncc([C@@H]2CCC[N@H+]2C(C)C)n1 ZINC000072355534 282200121 /nfs/dbraw/zinc/20/01/21/282200121.db2.gz AWKHXCBVFOZQIX-AWEZNQCLSA-N 1 0 271.368 2.516 40 0 CFABRO CCNc1nc(N2Cc3ccccc3C[C@@H]2C)cc(C)[nH+]1 ZINC000329026537 136377855 /nfs/dbraw/zinc/37/78/55/136377855.db2.gz PMTGPNJGJQBHBA-ZDUSSCGKSA-N 1 0 282.391 2.590 40 0 CFABRO CCC1(CC)CCN(C(=O)[C@@H]2CC=CC[NH2+][C@@H]2C)C1 ZINC000019500834 282353808 /nfs/dbraw/zinc/35/38/08/282353808.db2.gz OHFZZYREJMHWOS-ZIAGYGMSSA-N 1 0 264.413 2.579 40 0 CFABRO Cc1csc([C@H]2CCC[N@@H+](C3CCOCC3)C2)n1 ZINC000127584170 187317526 /nfs/dbraw/zinc/31/75/26/187317526.db2.gz GPENOXYBGBLDSE-LBPRGKRZSA-N 1 0 266.410 2.810 40 0 CFABRO CC(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000100012635 185701239 /nfs/dbraw/zinc/70/12/39/185701239.db2.gz ABOGULQHPLDMLL-OSYLJGHBSA-N 1 0 286.419 2.954 40 0 in-vitro CFABRO CCCCCC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000014258617 136571391 /nfs/dbraw/zinc/57/13/91/136571391.db2.gz UOIRYZGHNUEWKC-UHFFFAOYSA-N 1 0 289.423 2.957 40 0 CFABRO CC(C)N(Cc1ccccc1)[C@H]1CCCC[C@H]1[NH2+]CCO ZINC000101674338 347715973 /nfs/dbraw/zinc/71/59/73/347715973.db2.gz STFFLKBXHRZMAC-MSOLQXFVSA-N 1 0 290.451 2.790 40 0 CFABRO CC(C)(C)OC(=O)N[C@H]1C[NH2+]C[C@@H]1C1CCCCC1 ZINC000143487221 347937540 /nfs/dbraw/zinc/93/75/40/347937540.db2.gz JKFONBAELDEELK-OLZOCXBDSA-N 1 0 268.401 2.679 40 0 CFABRO C[C@H]1O[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C[NH3+])[C@@H]2[C@@H]1C ZINC000225761906 348179470 /nfs/dbraw/zinc/17/94/70/348179470.db2.gz SJWHBLVDVMHUKH-ZBJKAAEASA-N 1 0 251.292 2.573 40 0 CFABRO FC[C@H]1C[NH2+]C[C@H]1c1ccc(Br)cc1 ZINC000409421943 348600512 /nfs/dbraw/zinc/60/05/12/348600512.db2.gz AEJNDIBUEHRHCY-ONGXEEELSA-N 1 0 258.134 2.722 40 0 CFABRO CN(C(=O)OC(C)(C)C)[C@H](C(=[NH2+])NO)c1ccc(F)cc1 ZINC000409442044 348602374 /nfs/dbraw/zinc/60/23/74/348602374.db2.gz SLNKHRYPDWNRJW-NSHDSACASA-N 1 0 297.330 2.690 40 0 CFABRO c1ccc(COc2cccc3c2CC[NH2+]CC3)cc1 ZINC000409434633 348602477 /nfs/dbraw/zinc/60/24/77/348602477.db2.gz ZOBOXHMZEJJCKS-UHFFFAOYSA-N 1 0 253.345 2.954 40 0 CFABRO [NH3+]C[C@H]1[C@H](c2ccc(Br)cc2)C1(F)F ZINC000409434599 348602632 /nfs/dbraw/zinc/60/26/32/348602632.db2.gz YPAXIIMFZZSGAY-IUCAKERBSA-N 1 0 262.097 2.757 40 0 CFABRO OC1(COc2ccccc2F)CC[NH+](C2CCC2)CC1 ZINC000585281103 348738726 /nfs/dbraw/zinc/73/87/26/348738726.db2.gz DWWRSSQVRQWSCY-UHFFFAOYSA-N 1 0 279.355 2.584 40 0 CFABRO Cc1ccc2cc(C[NH2+][C@H]3CCCC[C@@H]3O)c(=O)[nH]c2c1 ZINC000585292775 348738788 /nfs/dbraw/zinc/73/87/88/348738788.db2.gz NYQANPRPOYLYEN-HOCLYGCPSA-N 1 0 286.375 2.642 40 0 CFABRO O[C@H]1[C@H](Oc2ccc(Cl)cc2)CCC[C@@H]1[NH2+]C1CC1 ZINC000585289250 348738918 /nfs/dbraw/zinc/73/89/18/348738918.db2.gz GRODDKNXSWDKMN-RRFJBIMHSA-N 1 0 281.783 2.753 40 0 CFABRO OC1(COc2ccc(F)cc2)CC[NH+](C2CCC2)CC1 ZINC000585281110 348738951 /nfs/dbraw/zinc/73/89/51/348738951.db2.gz FCPUYGOMZVGRKV-UHFFFAOYSA-N 1 0 279.355 2.584 40 0 CFABRO CC(C)C[NH2+][C@H]1CCC[C@@H](Oc2ccc(F)cc2)[C@@H]1O ZINC000585285388 348738953 /nfs/dbraw/zinc/73/89/53/348738953.db2.gz OZHPUPQAAWAMAG-ARFHVFGLSA-N 1 0 281.371 2.732 40 0 CFABRO Cc1ccc(C2(C(=O)N3CCC[C@@]4(CC[N@H+]4C)C3)CC2)cc1 ZINC000585102320 348734122 /nfs/dbraw/zinc/73/41/22/348734122.db2.gz WZKMACVATXKCRZ-GOSISDBHSA-N 1 0 298.430 2.723 40 0 CFABRO c1cncc(O[C@@H]2CSC3(C[NH+](C4CCCC4)C3)C2)c1 ZINC000585104667 348734211 /nfs/dbraw/zinc/73/42/11/348734211.db2.gz KTHWLESZDJUTIX-HNNXBMFYSA-N 1 0 290.432 2.963 40 0 CFABRO CCOC[C@@H]1CC[N@H+](C)C2(CN(Cc3ccc(C)o3)C2)C1 ZINC000585103474 348734295 /nfs/dbraw/zinc/73/42/95/348734295.db2.gz XCMFPJIQDFLVMD-OAHLLOKOSA-N 1 0 292.423 2.521 40 0 CFABRO O=C1NCC[C@]12CCC[N@@H+](Cc1ccccc1Cl)CC2 ZINC000108527754 186221230 /nfs/dbraw/zinc/22/12/30/186221230.db2.gz YMLKADPSIDJVDM-INIZCTEOSA-N 1 0 292.810 2.832 40 0 CFABRO CCc1ccc(C[NH+]2CCC3(CCC(=O)NC3)CC2)cc1 ZINC000108532477 186222759 /nfs/dbraw/zinc/22/27/59/186222759.db2.gz AWSIAHVJPFCIGH-UHFFFAOYSA-N 1 0 286.419 2.741 40 0 CFABRO Cc1ccc(CCC(=O)NCCC2CC[NH+](C)CC2)cc1 ZINC000156331926 188256264 /nfs/dbraw/zinc/25/62/64/188256264.db2.gz ZMGGCZCBMSLZFP-UHFFFAOYSA-N 1 0 288.435 2.776 40 0 CFABRO C[N@@H+]1CC[C@@](O)(c2ccccc2)[C@H]([C@H](O)c2ccccc2)C1 ZINC000001769226 283101663 /nfs/dbraw/zinc/10/16/63/283101663.db2.gz BGKCTMYJKSVGSD-IPMKNSEASA-N 1 0 297.398 2.560 40 0 CFABRO Brc1ccc2c(c1)CCC[C@@]21COCC[NH2+]1 ZINC000306145578 540166111 /nfs/dbraw/zinc/16/61/11/540166111.db2.gz IZTCDRXJLHSVRN-CYBMUJFWSA-N 1 0 282.181 2.601 40 0 CFABRO Fc1ccccc1CNc1cc(C2CC2)[nH+]c(NC2CC2)n1 ZINC000329004811 202149303 /nfs/dbraw/zinc/14/93/03/202149303.db2.gz KUBCDCMOYWWASI-UHFFFAOYSA-N 1 0 298.365 2.523 40 0 CFABRO C[C@@H](NC(=O)[C@@H]1CCC[NH2+]C1)C12CC3CC(CC(C3)C1)C2 ZINC000019410293 296096711 /nfs/dbraw/zinc/09/67/11/296096711.db2.gz LLBDCHCNWSXLKN-CDJLDAARSA-N 1 0 290.451 2.707 40 0 CFABRO CCn1c(C)[n+](-c2ccccc2)c2ccc(N)cc21 ZINC000000176865 371549239 /nfs/dbraw/zinc/54/92/39/371549239.db2.gz MNMYLXJEKABFNX-UHFFFAOYSA-N 1 0 252.341 2.829 40 0 CFABRO CC(C)c1ccccc1OC[C@@H](O)C[NH2+]C(C)(C)C ZINC000001475848 371677085 /nfs/dbraw/zinc/67/70/85/371677085.db2.gz OFIYZEPOBFDEAD-ZDUSSCGKSA-N 1 0 265.397 2.938 40 0 CFABRO COc1cc([C@H](C)O)c[n+](CCc2c[nH]c3ccccc23)c1 ZINC000001630255 371690399 /nfs/dbraw/zinc/69/03/99/371690399.db2.gz CPFMCRHJMHTACX-ZDUSSCGKSA-N 1 0 297.378 2.760 40 0 CFABRO C[C@@H](CO)[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000001667124 371693485 /nfs/dbraw/zinc/69/34/85/371693485.db2.gz GRCWULRRKAJPKL-WMLDXEAASA-N 1 0 255.361 2.941 40 0 CFABRO C[C@H](CO)[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000001667125 371693967 /nfs/dbraw/zinc/69/39/67/371693967.db2.gz GRCWULRRKAJPKL-RHSMWYFYSA-N 1 0 255.361 2.941 40 0 CFABRO C[NH+](C)CC[C@](O)(Cc1ccccc1)c1ccco1 ZINC000003594309 371811810 /nfs/dbraw/zinc/81/18/10/371811810.db2.gz WXKXEUZGIUCOTI-INIZCTEOSA-N 1 0 259.349 2.662 40 0 CFABRO CC(C)[NH2+]C[C@@H](O)CO[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000003864467 371819969 /nfs/dbraw/zinc/81/99/69/371819969.db2.gz IXLSSBPTUXEGSB-ZJIFWQFVSA-N 1 0 271.445 2.823 40 0 CFABRO O=C(C[NH2+]C1CCCC1)Nc1ccc(N2CCCC2)cc1 ZINC000004441010 371857324 /nfs/dbraw/zinc/85/73/24/371857324.db2.gz IUZIHTCFEHBSHG-UHFFFAOYSA-N 1 0 287.407 2.758 40 0 CFABRO CSc1ccc(C[NH2+]CCNC(=O)c2ccco2)cc1 ZINC000004498129 371858886 /nfs/dbraw/zinc/85/88/86/371858886.db2.gz LZAHCWFBJNVPTQ-UHFFFAOYSA-N 1 0 290.388 2.521 40 0 CFABRO CC(C)(C)NC(=O)C[NH+]1CCC(c2ccc(F)cc2)CC1 ZINC000012113958 371945205 /nfs/dbraw/zinc/94/52/05/371945205.db2.gz HNIJHHWFIGRFKF-UHFFFAOYSA-N 1 0 292.398 2.920 40 0 CFABRO C[C@H]1CCC[C@H]1OC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000010434847 371908448 /nfs/dbraw/zinc/90/84/48/371908448.db2.gz KSIMRCJXVNOUTP-BMGDILEWSA-N 1 0 289.419 2.611 40 0 CFABRO CCc1ccc(OC[C@@H](O)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000012170178 371948576 /nfs/dbraw/zinc/94/85/76/371948576.db2.gz IHWQFPMIIUIMNO-UXLLHSPISA-N 1 0 291.435 2.967 40 0 CFABRO Cn1nc(C(F)(F)F)cc1-c1ccccc1C[NH3+] ZINC000012370701 371954861 /nfs/dbraw/zinc/95/48/61/371954861.db2.gz LAEYZMDFNCMFNX-UHFFFAOYSA-N 1 0 255.243 2.565 40 0 CFABRO O=Cc1ccc(OC[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1O ZINC000013425086 372026996 /nfs/dbraw/zinc/02/69/96/372026996.db2.gz ZHLARUGYDIKKSN-HOCLYGCPSA-N 1 0 289.375 2.848 40 0 CFABRO O=c1[nH]c2ccccc2cc1C[NH2+]Cc1cccs1 ZINC000013561518 372032082 /nfs/dbraw/zinc/03/20/82/372032082.db2.gz PACOTKUWYYSKHB-UHFFFAOYSA-N 1 0 270.357 2.879 40 0 CFABRO O=C(NCCC[NH+]1CCCCCC1)c1ccc(F)cc1 ZINC000013675310 372040057 /nfs/dbraw/zinc/04/00/57/372040057.db2.gz UMZYMQXSGARGRA-UHFFFAOYSA-N 1 0 278.371 2.822 40 0 CFABRO O=C(OC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccncc1 ZINC000017466978 372134657 /nfs/dbraw/zinc/13/46/57/372134657.db2.gz KFIZLPOAJRUESW-GJZGRUSLSA-N 1 0 274.364 2.503 40 0 CFABRO Cc1nnc2n1[C@H]1C[N@@H+](Cc3ccccc3C)C[C@H]1CC2 ZINC000019237269 372151561 /nfs/dbraw/zinc/15/15/61/372151561.db2.gz VXBYBRMLYMHQIY-CVEARBPZSA-N 1 0 282.391 2.514 40 0 CFABRO c1cnc([C@H]2CCC[N@@H+](Cc3ccc4c(c3)OCO4)C2)cn1 ZINC000019345758 372157052 /nfs/dbraw/zinc/15/70/52/372157052.db2.gz HPERNZVJVRDLLH-AWEZNQCLSA-N 1 0 297.358 2.585 40 0 CFABRO C[C@@H]1CCCC[N@@H+]1Cc1ccnc(-c2ccncc2)n1 ZINC000019496385 372168701 /nfs/dbraw/zinc/16/87/01/372168701.db2.gz GOMYFQALSFXUTP-CYBMUJFWSA-N 1 0 268.364 2.913 40 0 CFABRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc(F)ccc1F ZINC000019575728 372176879 /nfs/dbraw/zinc/17/68/79/372176879.db2.gz DOUVFOWPBNBIAS-SMDDNHRTSA-N 1 0 266.335 2.633 40 0 CFABRO CC[NH+](CC)CCNCc1c(F)cccc1Cl ZINC000019919602 372209713 /nfs/dbraw/zinc/20/97/13/372209713.db2.gz UBIBLVPQSKAGJN-UHFFFAOYSA-N 1 0 258.768 2.911 40 0 CFABRO COc1cc(C[NH2+]CC(C)C)cc(Br)c1O ZINC000019882930 372201702 /nfs/dbraw/zinc/20/17/02/372201702.db2.gz BOUFNDVPOGBLKE-UHFFFAOYSA-N 1 0 288.185 2.909 40 0 CFABRO O=Cc1ccc(OCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000023228006 372254366 /nfs/dbraw/zinc/25/43/66/372254366.db2.gz LOWZPKPAXFEBGP-UHFFFAOYSA-N 1 0 281.355 2.936 40 0 CFABRO CCOC(=O)[C@H](C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000026895765 372330622 /nfs/dbraw/zinc/33/06/22/372330622.db2.gz AKNWUQFEDZTSPA-MRVPVSSYSA-N 1 0 262.136 2.599 40 0 CFABRO COc1ccc2ccccc2c1[C@@H](C[NH3+])N1CCCC1 ZINC000032048749 372425420 /nfs/dbraw/zinc/42/54/20/372425420.db2.gz WLRYWRAJTKGBBT-OAHLLOKOSA-N 1 0 270.376 2.944 40 0 CFABRO COCCC[NH2+]Cc1ccccc1OCC(C)C ZINC000032107267 372427153 /nfs/dbraw/zinc/42/71/53/372427153.db2.gz AGWQDHNLJQFSBR-UHFFFAOYSA-N 1 0 251.370 2.848 40 0 CFABRO CCOc1ccc([C@@H](C[NH3+])N2CCC[C@H](C)C2)cc1 ZINC000036092743 372556045 /nfs/dbraw/zinc/55/60/45/372556045.db2.gz YLHITQLEVOFUJB-XJKSGUPXSA-N 1 0 262.397 2.817 40 0 CFABRO O=C(c1cc2c(s1)CCCC2)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000036613026 372582169 /nfs/dbraw/zinc/58/21/69/372582169.db2.gz KQCWFILTVIABPN-ZDUSSCGKSA-N 1 0 290.432 2.547 40 0 CFABRO Cc1cc(C)cc(NC(=O)COc2cccc(C[NH3+])c2)c1 ZINC000036720740 372587193 /nfs/dbraw/zinc/58/71/93/372587193.db2.gz WMJGEJSXHFTAOL-UHFFFAOYSA-N 1 0 284.359 2.780 40 0 CFABRO [NH3+][C@H]1CCCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000038539851 372774587 /nfs/dbraw/zinc/77/45/87/372774587.db2.gz NXZNYVSRFFRKCX-LBPRGKRZSA-N 1 0 258.287 2.629 40 0 CFABRO CCN(CC)[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000038860414 372775682 /nfs/dbraw/zinc/77/56/82/372775682.db2.gz PXWLPGDCHNEVJU-GFCCVEGCSA-N 1 0 271.202 2.791 40 0 CFABRO Cc1c(Cl)ccc2c(N3CC[NH2+]CC3)ccnc12 ZINC000040165622 372780231 /nfs/dbraw/zinc/78/02/31/372780231.db2.gz RTKLOCMGIXMEIJ-UHFFFAOYSA-N 1 0 261.756 2.606 40 0 CFABRO COc1ccc(C[NH2+]C[C@H](C)C(=O)OC(C)(C)C)cc1 ZINC000047219118 373084057 /nfs/dbraw/zinc/08/40/57/373084057.db2.gz UAMUFQAHVFIHJJ-LBPRGKRZSA-N 1 0 279.380 2.763 40 0 CFABRO C[C@@H](C[NH2+]Cc1ccc(F)cc1)C(=O)OC(C)(C)C ZINC000047219078 373084076 /nfs/dbraw/zinc/08/40/76/373084076.db2.gz BNLNLNGWCVGSSX-NSHDSACASA-N 1 0 267.344 2.893 40 0 CFABRO O=C(Cc1ccccc1)N1CC[NH+]([C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000049573698 373312763 /nfs/dbraw/zinc/31/27/63/373312763.db2.gz DQNAQBKFOYXNKF-RCCFBDPRSA-N 1 0 298.430 2.562 40 0 CFABRO CCOC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC000057354207 373589779 /nfs/dbraw/zinc/58/97/79/373589779.db2.gz LILXUELARXKULD-HNNXBMFYSA-N 1 0 261.365 2.852 40 0 CFABRO COc1cccc([C@H]2C[N@H+](Cc3ccccc3)CCN2)c1 ZINC000056894893 373574172 /nfs/dbraw/zinc/57/41/72/373574172.db2.gz JHMOTEPUZBNHLR-GOSISDBHSA-N 1 0 282.387 2.842 40 0 CFABRO Cc1cc(C)nc(NCC[NH2+]Cc2ccc(Cl)cc2)n1 ZINC000062717846 373764124 /nfs/dbraw/zinc/76/41/24/373764124.db2.gz XFAKBXVMCFTDQX-UHFFFAOYSA-N 1 0 290.798 2.949 40 0 CFABRO O=C(OCc1ccccc1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000073632964 374361167 /nfs/dbraw/zinc/36/11/67/374361167.db2.gz OSZLLPOULCKUCI-KRWDZBQOSA-N 1 0 296.370 2.970 40 0 CFABRO Cn1cc([C@@H](CNC(=O)C2CCC2)[NH+](C)C)c2ccccc21 ZINC000075149119 374464211 /nfs/dbraw/zinc/46/42/11/374464211.db2.gz WQGVTONDKHMVEV-QGZVFWFLSA-N 1 0 299.418 2.697 40 0 CFABRO Cc1cccc(C)c1NC(=O)CC1CC[NH+](C)CC1 ZINC000074920990 374447651 /nfs/dbraw/zinc/44/76/51/374447651.db2.gz GVGLISDSFUHHRI-UHFFFAOYSA-N 1 0 260.381 2.974 40 0 CFABRO CCN(C[C@@H]1CCC[NH2+]C1)C(=O)OCc1ccccc1 ZINC000079437800 374611881 /nfs/dbraw/zinc/61/18/81/374611881.db2.gz VAIRXANURFGACA-OAHLLOKOSA-N 1 0 276.380 2.645 40 0 CFABRO O=C(OCc1ccccc1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000079437877 374612202 /nfs/dbraw/zinc/61/22/02/374612202.db2.gz CACUCJMUOJXKAP-AWEZNQCLSA-N 1 0 274.364 2.540 40 0 CFABRO CCN(C[C@H]1CCC[NH2+]C1)C(=O)OCc1ccccc1 ZINC000079437803 374612492 /nfs/dbraw/zinc/61/24/92/374612492.db2.gz VAIRXANURFGACA-HNNXBMFYSA-N 1 0 276.380 2.645 40 0 CFABRO [NH3+]C[C@@H](CCO)C1c2ccccc2-c2ccccc21 ZINC000085388790 374802519 /nfs/dbraw/zinc/80/25/19/374802519.db2.gz ULBBLUVDQRJFSJ-GFCCVEGCSA-N 1 0 253.345 2.756 40 0 CFABRO Cc1ccc(C[N@H+]2CCN(C)c3ncccc3C2)s1 ZINC000096060906 375468406 /nfs/dbraw/zinc/46/84/06/375468406.db2.gz RMSKHLRZONKXHJ-UHFFFAOYSA-N 1 0 273.405 2.904 40 0 CFABRO C[N@@H+]1CCC[C@@]2(CCC(=O)N2Cc2ccccc2)CC1 ZINC000096071968 375468477 /nfs/dbraw/zinc/46/84/77/375468477.db2.gz VOZSBUXCKYWSFA-QGZVFWFLSA-N 1 0 272.392 2.664 40 0 CFABRO CC(C)CCCn1cc(-c2nc(C[NH3+])cs2)cn1 ZINC000095093936 375412836 /nfs/dbraw/zinc/41/28/36/375412836.db2.gz YUZHLPIJRDJIJZ-UHFFFAOYSA-N 1 0 264.398 2.902 40 0 CFABRO CCOC1CC2(C1)CC[NH+](Cc1cccn1C)CC2 ZINC000096159282 375471997 /nfs/dbraw/zinc/47/19/97/375471997.db2.gz YGTPAESZRWSSLF-UHFFFAOYSA-N 1 0 262.397 2.806 40 0 CFABRO CCO[C@H]1COC2(C1)CC[NH+](Cc1cccc(C)n1)CC2 ZINC000096158735 375472188 /nfs/dbraw/zinc/47/21/88/375472188.db2.gz JINVEPGLBKPJIN-MRXNPFEDSA-N 1 0 290.407 2.550 40 0 CFABRO c1coc(C[N@H+]2C[C@@H]3COC[C@]3(COCC3CCC3)C2)c1 ZINC000096208861 375478161 /nfs/dbraw/zinc/47/81/61/375478161.db2.gz YPXWSZYDCJLYEC-NVXWUHKLSA-N 1 0 291.391 2.545 40 0 CFABRO O=C(C1CCCCC1)N1C[C@@H]2[NH2+]Cc3ccccc3[C@@H]2C1 ZINC000096268307 375483370 /nfs/dbraw/zinc/48/33/70/375483370.db2.gz DKYSLPWUVWCWFD-IRXDYDNUSA-N 1 0 284.403 2.665 40 0 CFABRO CC(C)[NH+]1CCC2(CC1)c1cccc(F)c1N(C)C2=O ZINC000096261758 375483471 /nfs/dbraw/zinc/48/34/71/375483471.db2.gz SDVMVCYIUXHCTG-UHFFFAOYSA-N 1 0 276.355 2.544 40 0 CFABRO CCn1cc(C[NH2+]Cc2cnn(C3CCCC3)c2)c(C)n1 ZINC000256054870 190005328 /nfs/dbraw/zinc/00/53/28/190005328.db2.gz YCZQNNSTZUOLKZ-UHFFFAOYSA-N 1 0 287.411 2.813 40 0 CFABRO CCOc1ccc(C(=O)O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000100662439 375625656 /nfs/dbraw/zinc/62/56/56/375625656.db2.gz SECVMSAYDWBWJD-FOLVSLTJSA-N 1 0 289.375 2.867 40 0 CFABRO Cc1nn(C)cc1C[NH2+]Cc1cn(C2CCCC2)nc1C ZINC000256050495 190003023 /nfs/dbraw/zinc/00/30/23/190003023.db2.gz FFZFPPXFPAZVOO-UHFFFAOYSA-N 1 0 287.411 2.638 40 0 CFABRO [NH3+]Cc1ccc(OC(F)(F)[C@@H](F)OC(F)(F)F)cc1 ZINC000098211044 375610113 /nfs/dbraw/zinc/61/01/13/375610113.db2.gz AIRFBGGCVQLNNJ-QMMMGPOBSA-N 1 0 289.175 2.949 40 0 CFABRO Fc1cccc(Oc2cncc([C@H]3CCC[NH2+]C3)n2)c1 ZINC000257197927 190010079 /nfs/dbraw/zinc/01/00/79/190010079.db2.gz NNGAVVJPHQJWSC-NSHDSACASA-N 1 0 273.311 2.875 40 0 CFABRO CC(C)n1cc(C[NH2+]Cc2ccc(F)s2)cn1 ZINC000256054641 190005497 /nfs/dbraw/zinc/00/54/97/190005497.db2.gz XDUDFJVFAHJICG-UHFFFAOYSA-N 1 0 253.346 2.954 40 0 CFABRO Cc1ccc(C[C@@H]2CCC[N@@H+](Cc3ccn(C)n3)C2)cn1 ZINC000257207511 190011508 /nfs/dbraw/zinc/01/15/08/190011508.db2.gz BICFGFSVEZESAL-INIZCTEOSA-N 1 0 284.407 2.578 40 0 CFABRO CC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)[NH2+]2 ZINC000257209396 190012697 /nfs/dbraw/zinc/01/26/97/190012697.db2.gz BQESTLXRTGIMDE-APAFKAMOSA-N 1 0 298.430 2.749 40 0 CFABRO COc1cc(C[N@@H+]2CC[C@@H](c3cc[nH]n3)C2)ccc1F ZINC000257234059 190017123 /nfs/dbraw/zinc/01/71/23/190017123.db2.gz GRXHPBIRCZFQJB-GFCCVEGCSA-N 1 0 275.327 2.547 40 0 CFABRO c1ncc(C[N@H+]2CCC[C@@H](Cc3cccnc3)C2)s1 ZINC000257227320 190015116 /nfs/dbraw/zinc/01/51/16/190015116.db2.gz FOSIBNJSSOBLNO-AWEZNQCLSA-N 1 0 273.405 2.993 40 0 CFABRO C[N@@H+]1CCN(Cc2ccccn2)C[C@@H]1c1ccccc1 ZINC000257255633 190020907 /nfs/dbraw/zinc/02/09/07/190020907.db2.gz KIGPFSWDMQJTPP-QGZVFWFLSA-N 1 0 267.376 2.570 40 0 CFABRO CCCn1nccc1-c1cc([C@H]2CCCC[NH2+]2)nc(C)n1 ZINC000257253910 190020944 /nfs/dbraw/zinc/02/09/44/190020944.db2.gz KATSCNGHKFITEK-CYBMUJFWSA-N 1 0 285.395 2.873 40 0 CFABRO Cc1ccc(Nc2nccc(C3C[NH+](C(C)C)C3)n2)nc1 ZINC000257237610 190017893 /nfs/dbraw/zinc/01/78/93/190017893.db2.gz HHGXCTJTMCCJSB-UHFFFAOYSA-N 1 0 283.379 2.731 40 0 CFABRO Cc1n[nH]cc1-c1cnc([C@@H]2CCC[N@@H+](C(C)C)C2)cn1 ZINC000257251942 190020136 /nfs/dbraw/zinc/02/01/36/190020136.db2.gz JSXZUVQHSMZDKW-CYBMUJFWSA-N 1 0 285.395 2.763 40 0 CFABRO Cc1c[nH]nc1[C@H]1CC[N@H+](CCOc2ccc(F)cc2)C1 ZINC000257248994 190020194 /nfs/dbraw/zinc/02/01/94/190020194.db2.gz JGFDVILQQOYRBQ-ZDUSSCGKSA-N 1 0 289.354 2.726 40 0 CFABRO Cc1c[nH]c([C@@H]2CC[N@H+](CC3=Cc4ccccc4OC3)C2)n1 ZINC000257265686 190023489 /nfs/dbraw/zinc/02/34/89/190023489.db2.gz LZWBXKOHMCPWRU-MRXNPFEDSA-N 1 0 295.386 2.983 40 0 CFABRO CNc1cc([C@H]2CCC[N@H+](Cc3cnn(C)c3C)C2)ccn1 ZINC000257267897 190023566 /nfs/dbraw/zinc/02/35/66/190023566.db2.gz MJICTHDBAWBGCP-HNNXBMFYSA-N 1 0 299.422 2.545 40 0 CFABRO Cc1cccc(Nc2cc(C)nc([C@H]3CCC[NH2+]C3)n2)n1 ZINC000257257559 190021478 /nfs/dbraw/zinc/02/14/78/190021478.db2.gz KQCRJWOLQMEYEN-ZDUSSCGKSA-N 1 0 283.379 2.699 40 0 CFABRO Fc1ccc(C[N@@H+]2CC[C@@H](c3ccnc4nccn43)C2)cc1 ZINC000257278433 190025358 /nfs/dbraw/zinc/02/53/58/190025358.db2.gz OCGGTVNQUYLLDJ-CQSZACIVSA-N 1 0 296.349 2.858 40 0 CFABRO Cc1c[nH]nc1[C@@H]1CC[N@H+](CC2=Cc3ccccc3OC2)C1 ZINC000257281786 190026063 /nfs/dbraw/zinc/02/60/63/190026063.db2.gz OQZWXJCMXNAJOH-MRXNPFEDSA-N 1 0 295.386 2.983 40 0 CFABRO CC(C)[NH+]1CCC(Cc2cncc(-c3cn[nH]c3)n2)CC1 ZINC000257282396 190026116 /nfs/dbraw/zinc/02/61/16/190026116.db2.gz OTPCBMNMJBDFII-UHFFFAOYSA-N 1 0 285.395 2.530 40 0 CFABRO Cc1cccnc1Nc1ccc(C2CC[NH2+]CC2)nc1 ZINC000257282767 190026425 /nfs/dbraw/zinc/02/64/25/190026425.db2.gz OVEZSWIQTZXMON-UHFFFAOYSA-N 1 0 268.364 2.996 40 0 CFABRO COc1ccc([C@H]2C[NH2+]CCN2Cc2ccc(C)nc2)cc1 ZINC000257295130 190028741 /nfs/dbraw/zinc/02/87/41/190028741.db2.gz QXBQTNIBAYPFHC-GOSISDBHSA-N 1 0 297.402 2.545 40 0 CFABRO Cc1nn(C)c(C)c1C[N@@H+]1CCC[C@@H](Cc2cccnc2)C1 ZINC000257298118 190029221 /nfs/dbraw/zinc/02/92/21/190029221.db2.gz RKFRCMGKDQJCFP-KRWDZBQOSA-N 1 0 298.434 2.887 40 0 CFABRO O[C@@H]1CCCOC12CC[NH+](Cc1cccc(Cl)c1)CC2 ZINC000257302344 190030510 /nfs/dbraw/zinc/03/05/10/190030510.db2.gz SCOFDIXQKCDJNC-OAHLLOKOSA-N 1 0 295.810 2.846 40 0 CFABRO C[N@@H+]1CCC[C@@H]1c1cccc(N2C(=O)OCC2(C)C)n1 ZINC000257311986 190032032 /nfs/dbraw/zinc/03/20/32/190032032.db2.gz ULXGWTVFCIZZGW-GFCCVEGCSA-N 1 0 275.352 2.584 40 0 CFABRO Cc1cccc(Nc2cncc([C@H]3CCC[N@@H+](C)C3)n2)n1 ZINC000257328824 190034813 /nfs/dbraw/zinc/03/48/13/190034813.db2.gz XHFXPNITPWKAPC-ZDUSSCGKSA-N 1 0 283.379 2.733 40 0 CFABRO Cc1cnc(-c2cc([C@@H]3CCC[N@H+]3C)nc(C)n2)s1 ZINC000257333001 190035395 /nfs/dbraw/zinc/03/53/95/190035395.db2.gz XZPMTFRREWBZQC-ZDUSSCGKSA-N 1 0 274.393 2.984 40 0 CFABRO Cc1nc[nH]c1C[N@H+]1CCC[C@@H](c2ccnc(N(C)C)c2)C1 ZINC000257331597 190035411 /nfs/dbraw/zinc/03/54/11/190035411.db2.gz XTNQDOYKNBABIS-OAHLLOKOSA-N 1 0 299.422 2.559 40 0 CFABRO Cc1ccnc([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000257332928 190035471 /nfs/dbraw/zinc/03/54/71/190035471.db2.gz XZJHOSBOVYFPJO-HNNXBMFYSA-N 1 0 253.349 2.775 40 0 CFABRO C[C@H]1C[NH2+]CCC[C@H]1CNC(=O)OCc1ccccc1 ZINC000261506712 190039695 /nfs/dbraw/zinc/03/96/95/190039695.db2.gz AGEQYCBKWKQTAR-ZFWWWQNUSA-N 1 0 276.380 2.549 40 0 CFABRO c1cc(CC[C@@H]2CCC[N@@H+]2CC2CCOCC2)ccn1 ZINC000257344447 190037631 /nfs/dbraw/zinc/03/76/31/190037631.db2.gz ZXFNVNYFCXSZBB-KRWDZBQOSA-N 1 0 274.408 2.905 40 0 CFABRO Cc1ccccc1C(=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000000055271 169519927 /nfs/dbraw/zinc/51/99/27/169519927.db2.gz BSPTUJWADWOYRC-RDJZCZTQSA-N 1 0 286.419 2.989 40 0 CFABRO C[N@@H+]1CCC[C@@H](c2nc3ccc(-c4ccncc4)cn3n2)C1 ZINC000306137679 382452347 /nfs/dbraw/zinc/45/23/47/382452347.db2.gz RCZLZJQWRJLCLV-OAHLLOKOSA-N 1 0 293.374 2.601 40 0 CFABRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)OCc1ccccc1 ZINC000306145676 382452872 /nfs/dbraw/zinc/45/28/72/382452872.db2.gz NGAGLLKONFYUIP-GOOCMWNKSA-N 1 0 274.364 2.667 40 0 CFABRO c1ccc(-c2ccc3nnc([C@@H]4CCCC[NH2+]4)n3n2)cc1 ZINC000217562848 382786884 /nfs/dbraw/zinc/78/68/84/382786884.db2.gz CKFQYIPETRGZKQ-AWEZNQCLSA-N 1 0 279.347 2.606 40 0 CFABRO Cc1ccc(C(=O)NCCC[NH+]2CCCC2)c(Cl)c1 ZINC000225002654 382812415 /nfs/dbraw/zinc/81/24/15/382812415.db2.gz KBTBITWAOOEMAB-UHFFFAOYSA-N 1 0 280.799 2.864 40 0 CFABRO C(C[C@H]1CCOC12CC[NH2+]CC2)OCC1CCCC1 ZINC000247816119 383196959 /nfs/dbraw/zinc/19/69/59/383196959.db2.gz BFTHIARZYUZEIH-HNNXBMFYSA-N 1 0 267.413 2.742 40 0 CFABRO CC(C)[N@H+]1Cc2cccn2C[C@@H](OCc2cccnc2)C1 ZINC000248005556 383206390 /nfs/dbraw/zinc/20/63/90/383206390.db2.gz PKADCLNMPYTTFH-QGZVFWFLSA-N 1 0 285.391 2.693 40 0 CFABRO C[C@]1(CO)C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000253380243 383453214 /nfs/dbraw/zinc/45/32/14/383453214.db2.gz NEPDTEDKCCEHIC-CHWSQXEVSA-N 1 0 273.298 2.679 40 0 CFABRO CC[N@@H+]1CC[C@@H](c2cc(Nc3nccs3)nc(C)n2)C1 ZINC000257344338 383495178 /nfs/dbraw/zinc/49/51/78/383495178.db2.gz ZWTQBVZGNYMTRD-LLVKDONJSA-N 1 0 289.408 2.794 40 0 CFABRO c1ccc2c(c1)Cc1ccccc1N1CC[NH2+]C[C@H]21 ZINC000005162701 285518196 /nfs/dbraw/zinc/51/81/96/285518196.db2.gz ZBILSSSEXRZGKS-QGZVFWFLSA-N 1 0 250.345 2.742 40 0 in-vitro CFABRO CCC(=O)N1N=C2[C@H]([C@H]1c1ccco1)[C@H](C)[N@H+](C)C[C@@H]2C ZINC000004724367 393458816 /nfs/dbraw/zinc/45/88/16/393458816.db2.gz URLGZASRDBGECB-FNNPODNZSA-N 1 0 289.379 2.515 40 0 CFABRO CC(C)c1[nH]c2ncccc2c1CN1CCOCC1 ZINC000019451530 393483889 /nfs/dbraw/zinc/48/38/89/393483889.db2.gz LZILSEJFKJAGBZ-UHFFFAOYSA-N 1 0 259.353 2.519 40 0 CFABRO CCN(C)c1cc(C)c([C@@H]([NH3+])c2ccccc2)cn1 ZINC000072223245 393646582 /nfs/dbraw/zinc/64/65/82/393646582.db2.gz NGNGSZDOTXWYFI-INIZCTEOSA-N 1 0 255.365 2.894 40 0 CFABRO CCN(C)c1cc(C)c([C@H]([NH3+])c2ccccc2)cn1 ZINC000072223244 393646616 /nfs/dbraw/zinc/64/66/16/393646616.db2.gz NGNGSZDOTXWYFI-MRXNPFEDSA-N 1 0 255.365 2.894 40 0 CFABRO CC[C@H]([C@H]([NH3+])c1ccc(Cl)cc1)S(=O)(=O)CC ZINC000096524944 393838007 /nfs/dbraw/zinc/83/80/07/393838007.db2.gz OORNHKPDVJWOLI-VXGBXAGGSA-N 1 0 275.801 2.553 40 0 CFABRO CC(C)C[N@@H+]1CCCC2(CCN(c3cnccn3)CC2)C1 ZINC000096217543 393817447 /nfs/dbraw/zinc/81/74/47/393817447.db2.gz WHGRYVYJYWLWHI-UHFFFAOYSA-N 1 0 288.439 2.815 40 0 CFABRO Cc1ccc(C(=O)N2CCC[C@]3(CCC[N@H+]3C)CC2)o1 ZINC000585100147 395100203 /nfs/dbraw/zinc/10/02/03/395100203.db2.gz GUKDIZGVTDBDOV-MRXNPFEDSA-N 1 0 276.380 2.679 40 0 CFABRO CC[C@H](C)[N@@H+]1CCC[C@@]2(CCC(=O)N2CCF)CC1 ZINC000585099805 395100456 /nfs/dbraw/zinc/10/04/56/395100456.db2.gz CCEYTXOJVXLRTB-DZGCQCFKSA-N 1 0 270.392 2.602 40 0 CFABRO Cc1ccc(-c2noc(C3CC[NH2+]CC3)n2)c(Cl)n1 ZINC000199754669 397614527 /nfs/dbraw/zinc/61/45/27/397614527.db2.gz SIJWVJAGOGITTI-UHFFFAOYSA-N 1 0 278.743 2.560 40 0 CFABRO Cc1ccc(OC[C@@H](O)C[NH+]2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000010384243 292167618 /nfs/dbraw/zinc/16/76/18/292167618.db2.gz JRDUHCQHWWEBQK-JYJNAYRXSA-N 1 0 277.408 2.998 40 0 CFABRO COc1cc2c(cc1OC)[C@@H](c1ccc(O)c(C)c1)C[NH2+]C2 ZINC000003847189 286259831 /nfs/dbraw/zinc/25/98/31/286259831.db2.gz OELWKTXQKFEKFJ-OAHLLOKOSA-N 1 0 299.370 2.953 40 0 CFABRO COc1cc2c(cc1OC)[C@@H](c1cc(C)ccc1N)[NH2+]CC2 ZINC000005337251 286259854 /nfs/dbraw/zinc/25/98/54/286259854.db2.gz HGOFUSCHJKPINM-SFHVURJKSA-N 1 0 298.386 2.830 40 0 CFABRO CCOc1ccccc1[C@H](C[NH3+])N1CCC(C)CC1 ZINC000038827594 286582319 /nfs/dbraw/zinc/58/23/19/286582319.db2.gz MUEVFWSYYQFHSU-HNNXBMFYSA-N 1 0 262.397 2.817 40 0 CFABRO Nc1ccc(C(=O)OCCCC[C@H]2CCC[C@H]2[NH3+])cc1 ZINC000001709165 169747240 /nfs/dbraw/zinc/74/72/40/169747240.db2.gz DRKITQCJEFDPLR-SWLSCSKDSA-N 1 0 276.380 2.723 40 0 CFABRO C[NH2+][C@@H](Cc1ccccc1)c1ccc2c(c1)OCO2 ZINC000002048243 169772091 /nfs/dbraw/zinc/77/20/91/169772091.db2.gz LQAMXVPCEQEUGG-AWEZNQCLSA-N 1 0 255.317 2.919 40 0 CFABRO Cc1ccccc1OC[C@H](O)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000004248003 169948572 /nfs/dbraw/zinc/94/85/72/169948572.db2.gz SMBKZOQPNGCSEO-OFQRWUPVSA-N 1 0 277.408 2.713 40 0 CFABRO OC[C@H]1C[C@H](c2ccccn2)C[N@H+](Cc2ccccc2)C1 ZINC000004707533 170003118 /nfs/dbraw/zinc/00/31/18/170003118.db2.gz LDDTWGVJUHYAPN-IRXDYDNUSA-N 1 0 282.387 2.680 40 0 CFABRO COC(=O)[C@H]1CCC[N@H+](Cc2c[nH]c3ccccc23)C1 ZINC000004769363 170013782 /nfs/dbraw/zinc/01/37/82/170013782.db2.gz XANXIGGTTWJFID-LBPRGKRZSA-N 1 0 272.348 2.553 40 0 CFABRO CCOC(=O)c1[nH]c(C)c(/C=C/c2cc[n+](C)cc2)c1C ZINC000005002293 170053119 /nfs/dbraw/zinc/05/31/19/170053119.db2.gz DERQINVFHSDOAH-UHFFFAOYSA-O 1 0 285.367 2.803 40 0 CFABRO CC[C@@]1(c2ccccc2)OC[C@H]([C@@H]2CCCC[NH2+]2)O1 ZINC000005431894 170099060 /nfs/dbraw/zinc/09/90/60/170099060.db2.gz INOYCBNLWYEPSB-ARFHVFGLSA-N 1 0 261.365 2.807 40 0 in-man CFABRO COc1cc(NCCC[C@@H](C)[NH3+])c2ncccc2c1OC ZINC000005551276 170112344 /nfs/dbraw/zinc/11/23/44/170112344.db2.gz NKMGACBNLCCUES-LLVKDONJSA-N 1 0 289.379 2.791 40 0 CFABRO O=C(NCC[NH+]1CCCCC1)c1ccccc1Cl ZINC000005636680 170122643 /nfs/dbraw/zinc/12/26/43/170122643.db2.gz COOZGDXBKPIYQP-UHFFFAOYSA-N 1 0 266.772 2.556 40 0 CFABRO CC[NH+](CC)C[C@H](O)c1cnc(-c2ccccc2)nc1C ZINC000006382427 170196682 /nfs/dbraw/zinc/19/66/82/170196682.db2.gz GACFZNGMCOHKSD-INIZCTEOSA-N 1 0 285.391 2.827 40 0 CFABRO CC[C@H](C)[NH2+]C[C@@H](O)CO[C@@H](CC)c1ccccc1 ZINC000006440693 170201302 /nfs/dbraw/zinc/20/13/02/170201302.db2.gz GKKSTNFFRRFMHC-IMJJTQAJSA-N 1 0 265.397 2.903 40 0 CFABRO CC[NH+](CC)CCCOc1ccc(C=O)cc1OC ZINC000008731596 170351046 /nfs/dbraw/zinc/35/10/46/170351046.db2.gz NILAFWHCIHXRRU-UHFFFAOYSA-N 1 0 265.353 2.618 40 0 CFABRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc(Cl)c2)C1 ZINC000009876586 170388393 /nfs/dbraw/zinc/38/83/93/170388393.db2.gz NQCWEVMXQLOYNU-LLVKDONJSA-N 1 0 281.787 2.803 40 0 CFABRO CCOc1ccc([C@@H](C[NH3+])N2CCC[C@@H](C)C2)cc1 ZINC000022172590 171368820 /nfs/dbraw/zinc/36/88/20/171368820.db2.gz YLHITQLEVOFUJB-CZUORRHYSA-N 1 0 262.397 2.817 40 0 CFABRO O=C(NC1CC1)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000038850079 174158070 /nfs/dbraw/zinc/15/80/70/174158070.db2.gz VFBOLJZCSUJOIV-CYBMUJFWSA-N 1 0 292.810 2.831 40 0 CFABRO OCCC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000039043260 174161884 /nfs/dbraw/zinc/16/18/84/174161884.db2.gz RFZNFCJWJCJGGJ-UHFFFAOYSA-N 1 0 253.773 2.934 40 0 CFABRO Clc1cc(Br)ccc1OCC1C[NH2+]C1 ZINC000039953921 174177980 /nfs/dbraw/zinc/17/79/80/174177980.db2.gz IWYHOENULAHDEP-UHFFFAOYSA-N 1 0 276.561 2.701 40 0 CFABRO [NH3+]C[C@H]1CCCN(Cc2cc(Br)cs2)C1 ZINC000044471104 175177604 /nfs/dbraw/zinc/17/76/04/175177604.db2.gz MCWUWORQEFEHSJ-SECBINFHSA-N 1 0 289.242 2.681 40 0 CFABRO CCCCOCCC[NH2+]CCC(=O)OC(C)(C)C ZINC000047218952 175405045 /nfs/dbraw/zinc/40/50/45/175405045.db2.gz SDYYJHHKFONNJR-UHFFFAOYSA-N 1 0 259.390 2.515 40 0 CFABRO CCOc1cc(C[NH2+]CCOC)ccc1OCC(C)C ZINC000057901166 175603369 /nfs/dbraw/zinc/60/33/69/175603369.db2.gz GQZMXWGXEUGXKZ-UHFFFAOYSA-N 1 0 281.396 2.856 40 0 CFABRO CC(C)N(C(=O)OCc1ccccc1)C1CC[NH2+]CC1 ZINC000060041997 175635474 /nfs/dbraw/zinc/63/54/74/175635474.db2.gz HQMJWOQSIWBTKI-UHFFFAOYSA-N 1 0 276.380 2.786 40 0 CFABRO C[C@@H]1CN(Cc2ccc(Cl)c(Cl)c2)CC[NH2+]1 ZINC000071585035 176210613 /nfs/dbraw/zinc/21/06/13/176210613.db2.gz CVGOCRPUJIBFGL-SECBINFHSA-N 1 0 259.180 2.787 40 0 CFABRO Clc1ccc(Cl)c(CNC[C@@H]2CCC[NH2+]2)c1 ZINC000072203577 176341458 /nfs/dbraw/zinc/34/14/58/176341458.db2.gz TWTJMYAVJDBOTF-NSHDSACASA-N 1 0 259.180 2.835 40 0 CFABRO CCCOc1ccc(-c2noc([C@@H]3CCC[NH2+]C3)n2)cc1 ZINC000072226845 176343315 /nfs/dbraw/zinc/34/33/15/176343315.db2.gz AQEUOSQBQJVCAH-CYBMUJFWSA-N 1 0 287.363 2.992 40 0 CFABRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1c(F)cccc1F ZINC000072324489 176369789 /nfs/dbraw/zinc/36/97/89/176369789.db2.gz YCTGNUODUMIMEP-RYUDHWBXSA-N 1 0 266.335 2.633 40 0 CFABRO NC(=O)c1sc2ccccc2c1C[C@@H]1CCCC[NH2+]1 ZINC000072343636 176372022 /nfs/dbraw/zinc/37/20/22/176372022.db2.gz HTYGXNFWBHVTOJ-JTQLQIEISA-N 1 0 274.389 2.685 40 0 CFABRO CNc1ncccc1C[N@@H+]1CCC[C@H](c2cncc(C)n2)C1 ZINC000072364459 176379308 /nfs/dbraw/zinc/37/93/08/176379308.db2.gz GIJCPULEUOCXPY-AWEZNQCLSA-N 1 0 297.406 2.601 40 0 CFABRO COc1cccc(-c2nccc([C@H]3CCC[N@@H+]3C)n2)c1 ZINC000072376466 176384988 /nfs/dbraw/zinc/38/49/88/176384988.db2.gz WWHHPRIYMVUYBR-OAHLLOKOSA-N 1 0 269.348 2.919 40 0 CFABRO CC(C)[N@@H+]1CCC[C@H](c2ccnc(Nc3cncnc3)n2)C1 ZINC000072377468 176385678 /nfs/dbraw/zinc/38/56/78/176385678.db2.gz RWHLAYPWGIVUOE-ZDUSSCGKSA-N 1 0 298.394 2.598 40 0 CFABRO c1csc([C@@H]2CCC[N@@H+](Cc3cccnc3)C2)n1 ZINC000072381587 176387472 /nfs/dbraw/zinc/38/74/72/176387472.db2.gz SROBICZNHDSNON-CYBMUJFWSA-N 1 0 259.378 2.918 40 0 CFABRO c1csc([C@H]2CCC[N@@H+](Cc3cccnc3)C2)n1 ZINC000072381586 176387708 /nfs/dbraw/zinc/38/77/08/176387708.db2.gz SROBICZNHDSNON-ZDUSSCGKSA-N 1 0 259.378 2.918 40 0 CFABRO Cc1nc(Nc2ncccc2C)cc([C@H]2CCC[NH2+]2)n1 ZINC000072382156 176388209 /nfs/dbraw/zinc/38/82/09/176388209.db2.gz FKEOHPJMWHGPCA-GFCCVEGCSA-N 1 0 269.352 2.657 40 0 CFABRO Cc1cccc(Nc2cc(C[C@@H]3CCC[N@@H+](C)C3)ncn2)n1 ZINC000072383482 176388534 /nfs/dbraw/zinc/38/85/34/176388534.db2.gz KZFPOAYJSJNHSR-AWEZNQCLSA-N 1 0 297.406 2.808 40 0 CFABRO Cc1ncccc1Oc1nccnc1[C@H]1CCC[N@@H+](C)C1 ZINC000072383481 176389044 /nfs/dbraw/zinc/38/90/44/176389044.db2.gz MFTJEHROMOEAFV-ZDUSSCGKSA-N 1 0 284.363 2.782 40 0 CFABRO Cc1c(C[N@@H+]2CCC[C@@H](Cc3ccccn3)C2)cnn1C ZINC000072385661 176390487 /nfs/dbraw/zinc/39/04/87/176390487.db2.gz NBKFVNDXEMQTGX-HNNXBMFYSA-N 1 0 284.407 2.578 40 0 CFABRO CN(C)c1nc2ccccc2cc1C[N@@H+]1CCC[C@@H](CO)C1 ZINC000072397807 176395470 /nfs/dbraw/zinc/39/54/70/176395470.db2.gz XWKKTJFMPCKDQT-CQSZACIVSA-N 1 0 299.418 2.505 40 0 CFABRO CC(C)N(C(=O)OCc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000079437837 177491044 /nfs/dbraw/zinc/49/10/44/177491044.db2.gz GMWYGDTWTAFLLF-OAHLLOKOSA-N 1 0 276.380 2.786 40 0 CFABRO [NH2+]=C(NO)[C@@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000409419428 262351794 /nfs/dbraw/zinc/35/17/94/262351794.db2.gz DIXIVBWOMMFYSA-NXEZZACHSA-N 1 0 263.728 2.760 40 0 CFABRO C[NH+]1CCC2(COc3cc(Br)ccc32)CC1 ZINC000095629290 273873098 /nfs/dbraw/zinc/87/30/98/273873098.db2.gz NVESTSXXEOETFN-UHFFFAOYSA-N 1 0 282.181 2.805 40 0 CFABRO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)N2N=CC[C@@H]2c2ccccc2)C1 ZINC000017024820 274384139 /nfs/dbraw/zinc/38/41/39/274384139.db2.gz ZUUATDISHOXEKE-BFYDXBDKSA-N 1 0 299.418 2.924 40 0 CFABRO Clc1cc(Cl)c2nccc(N3CC[NH2+]CC3)c2c1 ZINC000068136456 274880243 /nfs/dbraw/zinc/88/02/43/274880243.db2.gz IZFLQZHSZQERHS-UHFFFAOYSA-N 1 0 282.174 2.951 40 0 CFABRO c1cc(C[NH+]2CCC3(CCN(c4ncccn4)C3)CC2)co1 ZINC000096046592 275063989 /nfs/dbraw/zinc/06/39/89/275063989.db2.gz VJNKOJLOQNNQIU-UHFFFAOYSA-N 1 0 298.390 2.562 40 0 CFABRO CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@@]1(CC[NH2+]1)CO2 ZINC000306145497 275830254 /nfs/dbraw/zinc/83/02/54/275830254.db2.gz GWFSTOKHSPYEII-OAHLLOKOSA-N 1 0 276.336 2.615 40 0 CFABRO CC[NH+](CC)[C@@H]1CN(Cc2ccsc2)[C@@H]2CCCO[C@H]12 ZINC000096056321 276337911 /nfs/dbraw/zinc/33/79/11/276337911.db2.gz VJFRUDMAFHNFBB-OAGGEKHMSA-N 1 0 294.464 2.822 40 0 CFABRO CCO[C@@H]1COC2(C1)CC[NH+](Cc1cccs1)CC2 ZINC000096048097 276339772 /nfs/dbraw/zinc/33/97/72/276339772.db2.gz PHCCTQHKROHACS-ZDUSSCGKSA-N 1 0 281.421 2.908 40 0 CFABRO CC[N@H+](CCO)[C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000004777539 276349534 /nfs/dbraw/zinc/34/95/34/276349534.db2.gz MYDYCGXRWBPVSR-ZWKOTPCHSA-N 1 0 285.387 2.776 40 0 CFABRO CC(C)(C)OC(=O)N1CCC(C)([NH2+]C2CC2)CC1 ZINC000095083460 277180353 /nfs/dbraw/zinc/18/03/53/277180353.db2.gz VJWBCKAMSHBOIL-UHFFFAOYSA-N 1 0 254.374 2.528 40 0 CFABRO CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+]C2CC2)CC1 ZINC000100177491 277204548 /nfs/dbraw/zinc/20/45/48/277204548.db2.gz NZOKZUFZAZBSAE-TXEJJXNPSA-N 1 0 254.374 2.574 40 0 CFABRO COc1cc2c(cc1OC)[C@@H](c1ccccc1)C[NH2+]C2 ZINC000014984322 277855040 /nfs/dbraw/zinc/85/50/40/277855040.db2.gz VNEDJZCVRIKACP-OAHLLOKOSA-N 1 0 269.344 2.939 40 0 CFABRO CC(C)(C)[NH2+]C[C@H](O)COC1C2CC3CC(C2)CC1C3 ZINC000005258389 278370349 /nfs/dbraw/zinc/37/03/49/278370349.db2.gz GINNCMYCNXCCKK-CGAUPDFVSA-N 1 0 281.440 2.577 40 0 CFABRO CC(C)(C)OC(=O)N1CCC2(CC[C@@H]([NH3+])C2)CC1 ZINC000091304149 278384398 /nfs/dbraw/zinc/38/43/98/278384398.db2.gz MYLCOFZLZPQHOR-LLVKDONJSA-N 1 0 254.374 2.515 40 0 CFABRO CC(C)(C)OC(=O)N1CCCC[C@]12CCCC[NH2+]C2 ZINC000064033696 278388805 /nfs/dbraw/zinc/38/88/05/278388805.db2.gz XAJGVXDLOMQPNC-HNNXBMFYSA-N 1 0 268.401 2.920 40 0 CFABRO CC(C)(C)OC(=O)N1CCC[C@@](C)([NH2+]C2CC2)C1 ZINC000095084666 278392141 /nfs/dbraw/zinc/39/21/41/278392141.db2.gz HMRMIIBSYRBPSD-CQSZACIVSA-N 1 0 254.374 2.528 40 0 CFABRO C[n+]1cccc(/C=C\c2ccc3cccc(O)c3n2)c1 ZINC000012672216 278574679 /nfs/dbraw/zinc/57/46/79/278574679.db2.gz RCWLCUJWVGJLGB-CLFYSBASSA-O 1 0 263.320 2.935 40 0 in-vitro CFABRO C[C@@H]1C[NH2+]CCN1Cc1c(Cl)cccc1Cl ZINC000054373860 278838032 /nfs/dbraw/zinc/83/80/32/278838032.db2.gz FQVGPPQCSVLFRD-SECBINFHSA-N 1 0 259.180 2.787 40 0 CFABRO O=C(c1ccccc1)C(CN1CCCC1)C[NH+]1CCCC1 ZINC000001576482 280211964 /nfs/dbraw/zinc/21/19/64/280211964.db2.gz PFDGTUINFCULIZ-UHFFFAOYSA-N 1 0 286.419 2.677 40 0 CFABRO CC1(C)[C@H]2CC[C@]1(C)c1nc(NC(N)=[NH2+])sc12 ZINC000035655782 281541375 /nfs/dbraw/zinc/54/13/75/281541375.db2.gz BAAJTJALKQDPJB-PWCHPLFNSA-N 1 0 250.371 2.623 40 0 CFABRO COc1ccc([C@@H]2CC(N)=[NH+]N2c2ccccc2)cc1 ZINC000222547329 295218291 /nfs/dbraw/zinc/21/82/91/295218291.db2.gz XCOYDYDKPIBMIT-HNNXBMFYSA-N 1 0 267.332 2.919 40 0 CFABRO Fc1cccc(F)c1N1CC[NH2+][C@@H]2CCCC[C@H]21 ZINC000218835974 333137052 /nfs/dbraw/zinc/13/70/52/333137052.db2.gz FHICKLROPSPFMF-CHWSQXEVSA-N 1 0 252.308 2.686 40 0 CFABRO Fc1ccc(F)c(N2CC[NH2+][C@@H]3CCCC[C@H]32)c1 ZINC000218835783 333137095 /nfs/dbraw/zinc/13/70/95/333137095.db2.gz KBKLCCLOIRIZQD-CHWSQXEVSA-N 1 0 252.308 2.686 40 0 CFABRO C[C@]12CC3CC([NH2+]Cc4cnc(N)nc4)(C1)C[C@@](C)(C3)C2 ZINC000062717352 333175751 /nfs/dbraw/zinc/17/57/51/333175751.db2.gz WXGXUSILLOQKCU-TWDRJXRQSA-N 1 0 286.423 2.897 40 0 CFABRO c1csc(CCN2CC[NH2+][C@@H]3CCCC[C@@H]32)c1 ZINC000225712569 333182156 /nfs/dbraw/zinc/18/21/56/333182156.db2.gz CFVCBVTVWWLKNC-KGLIPLIRSA-N 1 0 250.411 2.507 40 0 CFABRO CC(C)Nc1cc(-c2ccccc2)nc(NCC[NH+](C)C)n1 ZINC000242761048 519741025 /nfs/dbraw/zinc/74/10/25/519741025.db2.gz DMKIXLVRTAYVIB-UHFFFAOYSA-N 1 0 299.422 2.937 40 0 CFABRO NC(=[NH2+])Cc1cc(C(F)(F)F)cc(Cl)c1F ZINC000228917176 526817657 /nfs/dbraw/zinc/81/76/57/526817657.db2.gz JOSWSRQTANXLRD-UHFFFAOYSA-N 1 0 254.614 2.976 40 0 CFABRO O[C@@H]1CCCC[C@@H]1[NH+]1CCC(c2ccccn2)CC1 ZINC000257232703 527668522 /nfs/dbraw/zinc/66/85/22/527668522.db2.gz GMAHBLDSRWHHLL-JKSUJKDBSA-N 1 0 260.381 2.565 40 0 CFABRO COc1cccc(-c2nnc([C@@H]([NH3+])Cc3ccccc3)[nH]2)c1 ZINC000095534841 185008313 /nfs/dbraw/zinc/00/83/13/185008313.db2.gz JXEJTKZINGXWBC-HNNXBMFYSA-N 1 0 294.358 2.723 40 0 CFABRO [NH3+]CCCc1ccnc2cc(Br)ccc12 ZINC000095930486 185032290 /nfs/dbraw/zinc/03/22/90/185032290.db2.gz PTSTVOQGJAEHRL-UHFFFAOYSA-N 1 0 265.154 2.889 40 0 CFABRO COC[C@]12CCCO[C@H]1CC[N@H+](Cc1cccs1)C2 ZINC000096038969 185069209 /nfs/dbraw/zinc/06/92/09/185069209.db2.gz PBHNFRYUBRNYML-LSDHHAIUSA-N 1 0 281.421 2.766 40 0 CFABRO Cc1ccc(C[N@@H+]2CC[C@H]3C[C@@H](c4ccncn4)O[C@@H]3C2)o1 ZINC000096046323 185071583 /nfs/dbraw/zinc/07/15/83/185071583.db2.gz COLWVRCYUMORJY-RRQGHBQHSA-N 1 0 299.374 2.730 40 0 CFABRO c1csc(CN2CC3(C2)CC[N@H+](Cc2ccncc2)C3)c1 ZINC000096046426 185072101 /nfs/dbraw/zinc/07/21/01/185072101.db2.gz UOKCSNVBHSYJFM-UHFFFAOYSA-N 1 0 299.443 2.851 40 0 CFABRO c1ccc(CN2CCC[C@@]3(CC[N@@H+](CC4CC4)C3)C2)nc1 ZINC000096046966 185073295 /nfs/dbraw/zinc/07/32/95/185073295.db2.gz NXGNKVGMDDHSCF-GOSISDBHSA-N 1 0 285.435 2.780 40 0 CFABRO CCO[C@H]1COC2(C1)CC[NH+](Cc1ccsc1)CC2 ZINC000096048100 185073611 /nfs/dbraw/zinc/07/36/11/185073611.db2.gz VTOBFROBQVVSTA-CQSZACIVSA-N 1 0 281.421 2.908 40 0 CFABRO c1cc(C[N@@H+]2C[C@H]3CN(Cc4cccnc4)C[C@H]3C2)cs1 ZINC000096053726 185074171 /nfs/dbraw/zinc/07/41/71/185074171.db2.gz ZKJRVYIHLDIHNC-CALCHBBNSA-N 1 0 299.443 2.707 40 0 CFABRO COC[C@@H]1CCC[C@@]12C[N@H+](Cc1cccs1)CCO2 ZINC000096051837 185074240 /nfs/dbraw/zinc/07/42/40/185074240.db2.gz RVUIBHVQGAJHQC-DZGCQCFKSA-N 1 0 281.421 2.766 40 0 CFABRO c1cnc2c(c1)C[N@@H+](CC1CC1)CCN2CC1CC1 ZINC000096060983 185082204 /nfs/dbraw/zinc/08/22/04/185082204.db2.gz HUDQFZUXTKUHAE-UHFFFAOYSA-N 1 0 257.381 2.524 40 0 CFABRO COCC[C@H]1CO[C@@]2(CC[N@H+](Cc3ccccc3F)C2)C1 ZINC000096072046 185087018 /nfs/dbraw/zinc/08/70/18/185087018.db2.gz VQYUXQJJJXPFMF-PBHICJAKSA-N 1 0 293.382 2.843 40 0 CFABRO CCC(CC)[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000067800935 282185561 /nfs/dbraw/zinc/18/55/61/282185561.db2.gz NPMARACPIAWBSP-LLVKDONJSA-N 1 0 256.390 2.774 40 0 CFABRO CC[C@@H](OC[C@H](O)C[NH2+][C@@H](C)CC)c1ccccc1 ZINC000002694585 346207266 /nfs/dbraw/zinc/20/72/66/346207266.db2.gz GKKSTNFFRRFMHC-NUEKZKHPSA-N 1 0 265.397 2.903 40 0 CFABRO Nc1cccc(OC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000005394805 346211376 /nfs/dbraw/zinc/21/13/76/346211376.db2.gz HDXSSQBGRXLIOW-XJKSGUPXSA-N 1 0 260.381 2.912 40 0 CFABRO CCN(CC)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010332421 346226332 /nfs/dbraw/zinc/22/63/32/346226332.db2.gz RBYFLECDOMUDBO-UHFFFAOYSA-N 1 0 260.381 2.764 40 0 CFABRO CC1CC(C[NH3+])([C@H](O)c2ccccc2Br)C1 ZINC000085395712 179049147 /nfs/dbraw/zinc/04/91/47/179049147.db2.gz LJMXCBPPOABJMK-BKDHPRRPSA-N 1 0 284.197 2.858 40 0 CFABRO C[NH2+][C@H]1CC[C@H](N(C)C(=O)OCc2ccccc2)CC1 ZINC000100178479 185708161 /nfs/dbraw/zinc/70/81/61/185708161.db2.gz FSUUAUQGTHSDRB-GASCZTMLSA-N 1 0 276.380 2.786 40 0 CFABRO Fc1ccc(-c2cnc3nccc([C@H]4CCC[NH2+]4)n23)cc1 ZINC000257320404 282970195 /nfs/dbraw/zinc/97/01/95/282970195.db2.gz VWQOBPBTXVFIIK-CYBMUJFWSA-N 1 0 282.322 2.960 40 0 CFABRO O=C(c1cccc(F)c1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000062672502 346690987 /nfs/dbraw/zinc/69/09/87/346690987.db2.gz KWJVIWSVESMIRR-MRXNPFEDSA-N 1 0 284.334 2.612 40 0 CFABRO CCc1ccc(OC[C@@H](O)C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000245253862 348251464 /nfs/dbraw/zinc/25/14/64/348251464.db2.gz HVPKCRPSZRFTBQ-ZBFHGGJFSA-N 1 0 277.408 2.863 40 0 CFABRO CCOC(=O)[C@H]1CC[NH2+][C@@H]1c1ccccc1C(F)(F)F ZINC000257197840 348306209 /nfs/dbraw/zinc/30/62/09/348306209.db2.gz KQIRECSLHNZWMI-CMPLNLGQSA-N 1 0 287.281 2.919 40 0 CFABRO CCc1ccc([C@H]2C[NH2+]C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC000409423369 348600397 /nfs/dbraw/zinc/60/03/97/348600397.db2.gz QHWKGZOOXVZJPV-HUUCEWRRSA-N 1 0 290.407 2.829 40 0 CFABRO C[C@H](C(=[NH2+])NO)N(C(=O)OC(C)(C)C)C1CCCC1 ZINC000409440389 348602597 /nfs/dbraw/zinc/60/25/97/348602597.db2.gz KSSUYPKZWAZTLQ-SECBINFHSA-N 1 0 271.361 2.511 40 0 CFABRO CC(C)(C)OC(=O)NC[C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC000575623971 348670315 /nfs/dbraw/zinc/67/03/15/348670315.db2.gz DMABNFJPEWECKW-UONOGXRCSA-N 1 0 254.374 2.563 40 0 CFABRO CC(C)(C)OC(=O)NC[C@@]12CC[C@@](C[NH3+])(C1)CCC2 ZINC000575624005 348670336 /nfs/dbraw/zinc/67/03/36/348670336.db2.gz QHPVZRZSVBHQIQ-CABCVRRESA-N 1 0 268.401 2.810 40 0 CFABRO O=C(Nc1nc([C@H]2CCC[NH2+]2)cs1)c1ccc(F)cc1 ZINC000585266534 348738532 /nfs/dbraw/zinc/73/85/32/348738532.db2.gz CZCJPIBXGSPXGT-LLVKDONJSA-N 1 0 291.351 2.959 40 0 CFABRO Cc1ccc2cc(C[NH2+][C@@H](CO)CC(C)C)c(=O)[nH]c2c1 ZINC000585293742 348738686 /nfs/dbraw/zinc/73/86/86/348738686.db2.gz LOELAQVGPNEZBB-OAHLLOKOSA-N 1 0 288.391 2.745 40 0 CFABRO Cc1ccc(C2(C(=O)N3CCC[C@]4(CC[N@H+]4C)C3)CC2)cc1 ZINC000585102322 348734255 /nfs/dbraw/zinc/73/42/55/348734255.db2.gz WZKMACVATXKCRZ-SFHVURJKSA-N 1 0 298.430 2.723 40 0 CFABRO Cc1nc(C(=O)N2CCC3(CCCC[N@H+]3C)CC2)cs1 ZINC000585102451 348734603 /nfs/dbraw/zinc/73/46/03/348734603.db2.gz OZHXMZPBCDODKA-UHFFFAOYSA-N 1 0 293.436 2.542 40 0 CFABRO CC(C)[NH+]1CC2(C1)C[C@@H](OCc1ccccn1)CS2 ZINC000585105269 348734735 /nfs/dbraw/zinc/73/47/35/348734735.db2.gz RTCWAXJLUGWQKZ-CQSZACIVSA-N 1 0 278.421 2.567 40 0 CFABRO Cc1cc(-c2ccnn2C(C)C)nc(CC2CC[NH2+]CC2)n1 ZINC000585180159 348738071 /nfs/dbraw/zinc/73/80/71/348738071.db2.gz WYOXZHXQJOHYKT-UHFFFAOYSA-N 1 0 299.422 2.772 40 0 CFABRO O=C1NCC[C@@]12CCC[N@@H+](Cc1ccccc1Cl)CC2 ZINC000108527758 186220691 /nfs/dbraw/zinc/22/06/91/186220691.db2.gz YMLKADPSIDJVDM-MRXNPFEDSA-N 1 0 292.810 2.832 40 0 CFABRO COCCO[C@H]1CCC2(CC[NH2+]CC2)c2ccccc21 ZINC000306140248 540166200 /nfs/dbraw/zinc/16/62/00/540166200.db2.gz UNXVGIWPFIDYQU-INIZCTEOSA-N 1 0 275.392 2.806 40 0 CFABRO Nc1ccc(C(=O)OC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000000035910 371512536 /nfs/dbraw/zinc/51/25/36/371512536.db2.gz SOGHCSKBULRSRK-GOEBONIOSA-N 1 0 288.391 2.690 40 0 CFABRO CC[C@@]1(C)OC(=O)N(C2CC(C)(C)[NH2+]C(C)(C)C2)[C@]1(C)O ZINC000000036879 371514352 /nfs/dbraw/zinc/51/43/52/371514352.db2.gz MMHJMCRZTPXTHP-HZPDHXFCSA-N 1 0 298.427 2.625 40 0 CFABRO CC[NH+](CC)C[C@H](O)COC1C2CC3CC(C2)CC1C3 ZINC000001462631 371677288 /nfs/dbraw/zinc/67/72/88/371677288.db2.gz RMVWGVQVZNOYIK-IKXAHOJESA-N 1 0 281.440 2.530 40 0 CFABRO COc1ccc2c(c1)C[C@@H]1[NH2+]CCc3cc4c(c-2c31)OCO4 ZINC000001565063 371680926 /nfs/dbraw/zinc/68/09/26/371680926.db2.gz RFWCCZDSXIZJMF-AWEZNQCLSA-N 1 0 295.338 2.834 40 0 biogenic,in-vitro CFABRO NC(=O)c1cc2cc(C[NH+]3CCCCC3)ccc2o1 ZINC000001760375 371706710 /nfs/dbraw/zinc/70/67/10/371706710.db2.gz HFSRAJMZYZBTDK-UHFFFAOYSA-N 1 0 258.321 2.518 40 0 CFABRO COc1cc(N[C@H](C)CCC[NH3+])c2ncccc2c1OC ZINC000001843143 371708606 /nfs/dbraw/zinc/70/86/06/371708606.db2.gz BKJXJTYXBUSXTA-LLVKDONJSA-N 1 0 289.379 2.791 40 0 CFABRO [NH2+]=C(c1ccccc1)N1CCN(Cc2ccccc2)CC1 ZINC000001583664 371683407 /nfs/dbraw/zinc/68/34/07/371683407.db2.gz WIAJORNXMOAWQJ-UHFFFAOYSA-N 1 0 279.387 2.830 40 0 CFABRO CC/C=C/[C@@](O)(C(=O)OC1CC[NH+](C)CC1)C1CCCC1 ZINC000001640749 371689859 /nfs/dbraw/zinc/68/98/59/371689859.db2.gz KZQMQKXFKZZRSP-ITHMCKDVSA-N 1 0 295.423 2.511 40 0 CFABRO CCC[NH+](CCC)CCCOC(=O)c1ccc(N)cc1 ZINC000001641293 371690513 /nfs/dbraw/zinc/69/05/13/371690513.db2.gz XGTXEEQYQARXBX-UHFFFAOYSA-N 1 0 278.396 2.938 40 0 CFABRO CCCC[NH2+]CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000001671750 371695780 /nfs/dbraw/zinc/69/57/80/371695780.db2.gz GJSLNIQQKZQLPR-UHFFFAOYSA-N 1 0 254.761 2.977 40 0 CFABRO COC(=O)C[C@H](c1ccc2c(c1)OCO2)[NH+]1CCCCC1 ZINC000001698269 371698623 /nfs/dbraw/zinc/69/86/23/371698623.db2.gz GBDXJARTMOJPFP-CYBMUJFWSA-N 1 0 291.347 2.505 40 0 CFABRO CN(Cc1ccccc1)CC(O)C[N@H+](C)Cc1ccccc1 ZINC000001729589 371703474 /nfs/dbraw/zinc/70/34/74/371703474.db2.gz XKIQVOMLRXPKJW-UHFFFAOYSA-N 1 0 298.430 2.611 40 0 CFABRO CC[C@H](C)c1ccccc1OC[C@H](O)C[NH2+]C(C)C ZINC000002694436 371746237 /nfs/dbraw/zinc/74/62/37/371746237.db2.gz JXVADECHNQDHFV-UONOGXRCSA-N 1 0 265.397 2.938 40 0 CFABRO CC(C)(C)OC(=O)/C=C/c1csc(CC[NH3+])c1 ZINC000002599331 371741934 /nfs/dbraw/zinc/74/19/34/371741934.db2.gz CWLQBIQWUIALLE-SNAWJCMRSA-N 1 0 253.367 2.604 40 0 CFABRO C=C(c1ccccc1)[n+]1cccc(C(=O)OCC)c1 ZINC000003667140 371814247 /nfs/dbraw/zinc/81/42/47/371814247.db2.gz FOTLZYWAOZSXEW-UHFFFAOYSA-N 1 0 254.309 2.670 40 0 CFABRO CCc1ccc(OC[C@H](O)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000005961852 371887170 /nfs/dbraw/zinc/88/71/70/371887170.db2.gz IHWQFPMIIUIMNO-HLLBOEOZSA-N 1 0 291.435 2.967 40 0 CFABRO CCCCC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000006516122 371890352 /nfs/dbraw/zinc/89/03/52/371890352.db2.gz PGGYJWYDTAHEBI-UHFFFAOYSA-N 1 0 289.423 2.957 40 0 CFABRO OCC[N@H+](Cc1cccs1)Cc1cccc(F)c1 ZINC000013997410 372057221 /nfs/dbraw/zinc/05/72/21/372057221.db2.gz LRAOOEMXJZODSN-UHFFFAOYSA-N 1 0 265.353 2.882 40 0 CFABRO C[C@@H]1CCC[N@H+](Cc2ccnc(-c3cccnc3)n2)C1 ZINC000019496572 372168901 /nfs/dbraw/zinc/16/89/01/372168901.db2.gz ZPWSVYDCLXMRRH-CYBMUJFWSA-N 1 0 268.364 2.771 40 0 CFABRO O=Cc1ccccc1OCC[N@@H+]1CCc2ccccc2C1 ZINC000023228009 372254285 /nfs/dbraw/zinc/25/42/85/372254285.db2.gz SDELVJVUHLDQBO-UHFFFAOYSA-N 1 0 281.355 2.936 40 0 CFABRO Cc1ccc(OC[C@@H](O)C[NH2+]C2CCCCC2)cc1C ZINC000032123176 372431147 /nfs/dbraw/zinc/43/11/47/372431147.db2.gz KBJONHXDXDGGRR-INIZCTEOSA-N 1 0 277.408 2.965 40 0 CFABRO Cc1ccc(COC[C@@H](O)C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000035075006 372535345 /nfs/dbraw/zinc/53/53/45/372535345.db2.gz CTVNKDWSXDCUMW-BQFCYCMXSA-N 1 0 291.435 2.850 40 0 CFABRO C[C@@H]1CCC[C@@H]1OC[C@H](O)C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000035093055 372537256 /nfs/dbraw/zinc/53/72/56/372537256.db2.gz ROLPJNXSYMGNIP-LJIZCISZSA-N 1 0 269.429 2.815 40 0 CFABRO C[C@@H]1CCC[C@H]1OC[C@H](O)C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000035093058 372537343 /nfs/dbraw/zinc/53/73/43/372537343.db2.gz ROLPJNXSYMGNIP-IBEHDNSVSA-N 1 0 269.429 2.815 40 0 CFABRO OCCOCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000034759415 372514059 /nfs/dbraw/zinc/51/40/59/372514059.db2.gz QLMUDNFDCHOWRU-UHFFFAOYSA-N 1 0 285.387 2.698 40 0 CFABRO FC(F)(F)c1cccc(CN2CCC[NH2+]CC2)c1 ZINC000034963804 372522829 /nfs/dbraw/zinc/52/28/29/372522829.db2.gz HZKKJRGALXURLA-UHFFFAOYSA-N 1 0 258.287 2.501 40 0 CFABRO C[C@@H]1C[C@H](C)C[N@@H+](CCNC(=O)c2cccc(F)c2)C1 ZINC000046882583 373068281 /nfs/dbraw/zinc/06/82/81/373068281.db2.gz ZAIPCXQIUVHFBS-BETUJISGSA-N 1 0 278.371 2.533 40 0 CFABRO CSc1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000046091345 373042830 /nfs/dbraw/zinc/04/28/30/373042830.db2.gz IHEBHNIGTIBTLE-UHFFFAOYSA-N 1 0 251.395 2.613 40 0 CFABRO CC(C)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000052399545 373442271 /nfs/dbraw/zinc/44/22/71/373442271.db2.gz RPGMCRFTIMZCQM-UHFFFAOYSA-N 1 0 260.381 2.555 40 0 CFABRO C[C@H]1C[NH2+]CCN1Cc1ccc(Cl)cc1Cl ZINC000054373091 373522617 /nfs/dbraw/zinc/52/26/17/373522617.db2.gz VKOSTNKPWZPFIJ-VIFPVBQESA-N 1 0 259.180 2.787 40 0 CFABRO [NH3+][C@H](c1ccccc1)c1cncc(Br)c1 ZINC000057343889 373588343 /nfs/dbraw/zinc/58/83/43/373588343.db2.gz RJPSANYVKQLMSV-GFCCVEGCSA-N 1 0 263.138 2.892 40 0 CFABRO Cc1nnc([C@H]2CCC[NH2+]2)n1Cc1ccc(Cl)cc1 ZINC000066339728 373925730 /nfs/dbraw/zinc/92/57/30/373925730.db2.gz VJEBLYRZZRUHKU-CYBMUJFWSA-N 1 0 276.771 2.713 40 0 CFABRO C[C@H]1C[NH2+]CCN1Cc1ccc(F)cc1C(F)(F)F ZINC000067799462 374003595 /nfs/dbraw/zinc/00/35/95/374003595.db2.gz AVLVXSZSOWBSOW-VIFPVBQESA-N 1 0 276.277 2.638 40 0 CFABRO CN(C)Cc1cc(C[C@@H]2C[C@H]([NH2+]CC3CC3)C2(C)C)no1 ZINC000067890217 374013893 /nfs/dbraw/zinc/01/38/93/374013893.db2.gz ZJTYQCODULVCST-CJNGLKHVSA-N 1 0 291.439 2.693 40 0 biogenic,in-vitro CFABRO OC[C@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCCC1 ZINC000070453124 374179712 /nfs/dbraw/zinc/17/97/12/374179712.db2.gz QFPCKGBFIFVKBY-GFCCVEGCSA-N 1 0 275.270 2.714 40 0 CFABRO C[NH+]1CCC(C(=O)Nc2ccccc2Cl)CC1 ZINC000073152932 374326463 /nfs/dbraw/zinc/32/64/63/374326463.db2.gz VKENIZSCGQBYCU-UHFFFAOYSA-N 1 0 252.745 2.620 40 0 CFABRO COc1cc(C)c(C(=O)NCCC[NH+](C)C)cc1C(C)C ZINC000074948322 374449865 /nfs/dbraw/zinc/44/98/65/374449865.db2.gz DIZDNBGECSOKMP-UHFFFAOYSA-N 1 0 292.423 2.809 40 0 CFABRO O=C1N(Cc2ccccc2)c2ccccc2C12CC[NH2+]CC2 ZINC000079031815 374585741 /nfs/dbraw/zinc/58/57/41/374585741.db2.gz DGMAWXSGXUKIKJ-UHFFFAOYSA-N 1 0 292.382 2.855 40 0 CFABRO C[NH2+][C@H]1CCCC[C@H]1N(C)C(=O)OCc1ccccc1 ZINC000079437766 374611985 /nfs/dbraw/zinc/61/19/85/374611985.db2.gz ZYRONJPZIAYFBW-LSDHHAIUSA-N 1 0 276.380 2.786 40 0 CFABRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2cccc(F)c2)C1 ZINC000083552695 374752692 /nfs/dbraw/zinc/75/26/92/374752692.db2.gz KXNBOTFAXPBDBA-AWEZNQCLSA-N 1 0 294.370 2.925 40 0 CFABRO CCCn1c2ccccc2nc1N1CC[NH+](CC)CC1 ZINC000082086994 374726430 /nfs/dbraw/zinc/72/64/30/374726430.db2.gz DPWFVCFNHLEGIJ-UHFFFAOYSA-N 1 0 272.396 2.588 40 0 CFABRO C[C@H]([NH3+])c1nnc(-c2ccc(C(F)(F)F)cc2)[nH]1 ZINC000082752528 374739463 /nfs/dbraw/zinc/73/94/63/374739463.db2.gz BRMVUALUFNFWEW-LURJTMIESA-N 1 0 256.231 2.510 40 0 CFABRO CSc1ccc(C(=O)C(C)(C)[C@H]2C[NH2+]CCO2)cc1 ZINC000087491446 374824231 /nfs/dbraw/zinc/82/42/31/374824231.db2.gz RWUFUAMIIVQPBW-CYBMUJFWSA-N 1 0 279.405 2.606 40 0 CFABRO Cc1ccc(C[N@@H+]2CCC[C@@]3(CCCC(=O)N3)C2)s1 ZINC000096049942 375468318 /nfs/dbraw/zinc/46/83/18/375468318.db2.gz DSXCFCMLQAHBJF-HNNXBMFYSA-N 1 0 278.421 2.691 40 0 CFABRO CN1c2ccccc2C2(CC[NH+](Cc3ccco3)CC2)C1=O ZINC000096052490 375468556 /nfs/dbraw/zinc/46/85/56/375468556.db2.gz TUAADKFSWAVDAC-UHFFFAOYSA-N 1 0 296.370 2.790 40 0 CFABRO CN1c2ccccc2C2(CC[NH+](Cc3ccoc3)CC2)C1=O ZINC000096052491 375468937 /nfs/dbraw/zinc/46/89/37/375468937.db2.gz RXGBCMLCVFEAJX-UHFFFAOYSA-N 1 0 296.370 2.790 40 0 CFABRO Cc1nc(CN2CC[C@H]3[C@@H]2CC[N@@H+]3CC2CC2)cs1 ZINC000096184394 375475332 /nfs/dbraw/zinc/47/53/32/375475332.db2.gz TYVSDYQYCMVIRR-GJZGRUSLSA-N 1 0 277.437 2.510 40 0 CFABRO CC(C)CC[N@@H+]1CCc2ncnc(-c3ccncc3)c2CC1 ZINC000096187635 375475611 /nfs/dbraw/zinc/47/56/11/375475611.db2.gz PKKIYLZZEPNIMK-UHFFFAOYSA-N 1 0 296.418 2.985 40 0 CFABRO c1cnc(N2CCC[C@@]3(CC[N@@H+](CC4CCC4)C3)C2)nc1 ZINC000096216944 375479406 /nfs/dbraw/zinc/47/94/06/375479406.db2.gz QRAPNJXEBBIZTA-KRWDZBQOSA-N 1 0 286.423 2.569 40 0 CFABRO Cc1ccc(CN2CCO[C@H]3C[N@@H+](CCC(C)C)C[C@H]32)o1 ZINC000096248807 375481958 /nfs/dbraw/zinc/48/19/58/375481958.db2.gz VUPCNUABYUSLPH-SJORKVTESA-N 1 0 292.423 2.519 40 0 CFABRO CCc1ncnc2c1CC[N@H+](Cc1ccc(F)cc1)CC2 ZINC000096255018 375482225 /nfs/dbraw/zinc/48/22/25/375482225.db2.gz LTQJKGRXPHCSAY-UHFFFAOYSA-N 1 0 285.366 2.779 40 0 CFABRO [NH3+]CC1(NC(=O)OCc2ccccc2)CCCCC1 ZINC000096295483 375484106 /nfs/dbraw/zinc/48/41/06/375484106.db2.gz OGMHAOLNNDYFSK-UHFFFAOYSA-N 1 0 262.353 2.574 40 0 CFABRO CC(C)Cn1cc(C[NH2+]Cc2ccc(F)cc2)cn1 ZINC000256053509 190004862 /nfs/dbraw/zinc/00/48/62/190004862.db2.gz RSHNCIKTFGLWIP-UHFFFAOYSA-N 1 0 261.344 2.968 40 0 CFABRO Cc1c(C[NH2+]Cc2ccc(F)cc2)cnn1CC(F)F ZINC000256053592 190004941 /nfs/dbraw/zinc/00/49/41/190004941.db2.gz SAWATGGYILOIAO-UHFFFAOYSA-N 1 0 283.297 2.886 40 0 CFABRO Cn1nc(C(F)(F)F)cc1C[NH2+]Cc1cccc(F)c1 ZINC000256051115 190003936 /nfs/dbraw/zinc/00/39/36/190003936.db2.gz HTXHHHIEOFJOJF-UHFFFAOYSA-N 1 0 287.260 2.868 40 0 CFABRO CCn1ncc(C[NH2+]Cc2ccc(F)s2)c1C ZINC000256052577 190004078 /nfs/dbraw/zinc/00/40/78/190004078.db2.gz NWXWUTDGUXQJTN-UHFFFAOYSA-N 1 0 253.346 2.702 40 0 CFABRO CC(C)c1cc(C[NH2+]CCc2ccccc2)n(C)n1 ZINC000256052334 190004397 /nfs/dbraw/zinc/00/43/97/190004397.db2.gz MXVZYHBRZSAKHX-UHFFFAOYSA-N 1 0 257.381 2.876 40 0 CFABRO COc1cccc(-c2cncc([C@H]3CCC[NH2+]C3)n2)c1 ZINC000257198158 190010860 /nfs/dbraw/zinc/01/08/60/190010860.db2.gz VAXOTRYBYSXQQU-ZDUSSCGKSA-N 1 0 269.348 2.619 40 0 CFABRO CC(C)n1cc(-c2cnc(CC3CC[NH+](C)CC3)cn2)cn1 ZINC000257213395 190013507 /nfs/dbraw/zinc/01/35/07/190013507.db2.gz CHKGJHUELAEGEQ-UHFFFAOYSA-N 1 0 299.422 2.805 40 0 CFABRO CCc1nccn1-c1ccc([C@H]2CCCC[N@@H+]2C)cn1 ZINC000257229304 190015924 /nfs/dbraw/zinc/01/59/24/190015924.db2.gz FXOSRZPCBZWDLD-CQSZACIVSA-N 1 0 270.380 2.987 40 0 CFABRO COc1ccccc1[C@H]1C[NH2+]CCN1Cc1ncccc1C ZINC000257222965 190014933 /nfs/dbraw/zinc/01/49/33/190014933.db2.gz DVHYQTYFYMUPKW-QGZVFWFLSA-N 1 0 297.402 2.545 40 0 CFABRO Nc1nccc([C@H]2CCCC[N@@H+]2Cc2cccs2)n1 ZINC000257224543 190015145 /nfs/dbraw/zinc/01/51/45/190015145.db2.gz FCFWYQOERTVGFN-CYBMUJFWSA-N 1 0 274.393 2.848 40 0 CFABRO Cc1ncsc1C[N@H+]1CCN(C)[C@@H](c2ccccc2)C1 ZINC000257253259 190020626 /nfs/dbraw/zinc/02/06/26/190020626.db2.gz JYECSQTWMWCTRY-OAHLLOKOSA-N 1 0 287.432 2.940 40 0 CFABRO c1ccc(C[N@@H+]2CCC[C@H](c3ccncn3)C2)cc1 ZINC000257253446 190020881 /nfs/dbraw/zinc/02/08/81/190020881.db2.gz JYYONUDUALXNEX-HNNXBMFYSA-N 1 0 253.349 2.856 40 0 CFABRO C[NH+](C)Cc1ccc([C@@H]2CCCN2C(=O)CC2CC2)nc1 ZINC000257237143 190018084 /nfs/dbraw/zinc/01/80/84/190018084.db2.gz HFIJZDNDHZZZCL-INIZCTEOSA-N 1 0 287.407 2.607 40 0 CFABRO Cc1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2ccnn2C(C)C)C1 ZINC000257252603 190020960 /nfs/dbraw/zinc/02/09/60/190020960.db2.gz JVJXCMCYLVBWEY-CQSZACIVSA-N 1 0 287.411 2.875 40 0 CFABRO Cc1nc[nH]c1C[NH+]1CCC(Cc2ccncc2)CC1 ZINC000257246246 190019073 /nfs/dbraw/zinc/01/90/73/190019073.db2.gz ITGWPROSFXLUTA-UHFFFAOYSA-N 1 0 270.380 2.568 40 0 CFABRO c1ccc2ncc(C[C@H]3COC4(C3)CC[NH2+]CC4)cc2c1 ZINC000257253263 190020471 /nfs/dbraw/zinc/02/04/71/190020471.db2.gz JYEKXVBBAUQBDT-OAHLLOKOSA-N 1 0 282.387 2.936 40 0 CFABRO C[N@@H+]1CCC[C@@H]1c1ccnc(C(=O)NCC(C)(C)C)c1 ZINC000257264070 190022995 /nfs/dbraw/zinc/02/29/95/190022995.db2.gz LSUFUNYGZAYXDH-CQSZACIVSA-N 1 0 275.396 2.624 40 0 CFABRO CC(C)n1nccc1-c1cnc(C[C@H]2CCC[N@H+](C)C2)cn1 ZINC000257271777 190024195 /nfs/dbraw/zinc/02/41/95/190024195.db2.gz MZTBTBLNDMJYLT-CQSZACIVSA-N 1 0 299.422 2.805 40 0 CFABRO CC(C)[N@@H+]1CCC[C@H](Cc2cncc(-c3ccnn3C)n2)C1 ZINC000257252807 190021060 /nfs/dbraw/zinc/02/10/60/190021060.db2.gz JWESAIUYWAXYAW-CQSZACIVSA-N 1 0 299.422 2.540 40 0 CFABRO CN(C)Cc1ccnc([C@@H]2CCC[N@@H+]2C2CCCC2)n1 ZINC000257258749 190021597 /nfs/dbraw/zinc/02/15/97/190021597.db2.gz KVISGWGBKPZYNN-HNNXBMFYSA-N 1 0 274.412 2.618 40 0 CFABRO O=c1nccc([C@@H]2CCC[N@H+](CCc3ccccc3)C2)[nH]1 ZINC000257280424 190025507 /nfs/dbraw/zinc/02/55/07/190025507.db2.gz OKUGVVCEHKZSEZ-OAHLLOKOSA-N 1 0 283.375 2.604 40 0 CFABRO CC(C)n1nccc1C[N@@H+]1CCC[C@@](C)(c2cc[nH]n2)C1 ZINC000257312346 190031708 /nfs/dbraw/zinc/03/17/08/190031708.db2.gz UNMPQSIJIIADNF-MRXNPFEDSA-N 1 0 287.411 2.741 40 0 CFABRO Nc1nccnc1C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000257311610 190031796 /nfs/dbraw/zinc/03/17/96/190031796.db2.gz UKHKAAJZXRBVFP-HNNXBMFYSA-N 1 0 282.391 2.514 40 0 CFABRO Cc1c(C[NH+]2CCC(C)(c3nccs3)CC2)cnn1C ZINC000257295935 190028651 /nfs/dbraw/zinc/02/86/51/190028651.db2.gz RAMWPZFUMQHKCD-UHFFFAOYSA-N 1 0 290.436 2.739 40 0 CFABRO CCn1cc(-c2cnc(C3CC[NH+](C(C)C)CC3)cn2)cn1 ZINC000257301428 190030229 /nfs/dbraw/zinc/03/02/29/190030229.db2.gz RYKFFXKOKWKOLC-UHFFFAOYSA-N 1 0 299.422 2.948 40 0 CFABRO Cc1ccc(Nc2nccc(C3CC[NH+](C)CC3)n2)nc1 ZINC000257301149 190030289 /nfs/dbraw/zinc/03/02/89/190030289.db2.gz RXEGOERPMIURGR-UHFFFAOYSA-N 1 0 283.379 2.733 40 0 CFABRO CCCn1nccc1-c1cc(CC2CC[NH2+]CC2)ccn1 ZINC000257302328 190030763 /nfs/dbraw/zinc/03/07/63/190030763.db2.gz SCMSYABXFGKLRG-UHFFFAOYSA-N 1 0 284.407 2.897 40 0 CFABRO Cc1c[nH]c([C@H]2CC[N@H+](CCOc3ccc(F)cc3)C2)n1 ZINC000257344924 190037455 /nfs/dbraw/zinc/03/74/55/190037455.db2.gz ZZGKFXQFVUJXHT-ZDUSSCGKSA-N 1 0 289.354 2.726 40 0 CFABRO c1cc([C@@H]2CC[N@@H+](Cc3ccnc4ccccc34)C2)n[nH]1 ZINC000257311863 190032019 /nfs/dbraw/zinc/03/20/19/190032019.db2.gz ULHXLYHNIRBPQK-CQSZACIVSA-N 1 0 278.359 2.947 40 0 CFABRO CNc1cc([C@H]2CCC[N@H+](Cc3[nH]cnc3C)C2)ccn1 ZINC000257320759 190033252 /nfs/dbraw/zinc/03/32/52/190033252.db2.gz VYMFUCFZRJIUFB-AWEZNQCLSA-N 1 0 285.395 2.534 40 0 CFABRO C[NH+]1CCC(c2cccc(N3C(=O)OCC3(C)C)n2)CC1 ZINC000257329295 190034655 /nfs/dbraw/zinc/03/46/55/190034655.db2.gz XJFHIPMZOGJDNQ-UHFFFAOYSA-N 1 0 289.379 2.626 40 0 CFABRO Cc1cc(-c2cncc(CC3CC[NH+](C(C)C)CC3)n2)n[nH]1 ZINC000257326396 190034831 /nfs/dbraw/zinc/03/48/31/190034831.db2.gz WXBPJXLJEZHNPZ-UHFFFAOYSA-N 1 0 299.422 2.838 40 0 CFABRO Cc1cccc(C(=O)N2CCC[C@]3(C)[NH2+]CCCC[C@H]23)n1 ZINC000257330904 190035315 /nfs/dbraw/zinc/03/53/15/190035315.db2.gz XQMWMNRZNPTXNF-RDJZCZTQSA-N 1 0 287.407 2.527 40 0 CFABRO c1ccc(O[C@@H]2C[C@H]3C[N@@H+](Cc4cncnc4)C[C@H]3C2)cc1 ZINC000257332032 190035496 /nfs/dbraw/zinc/03/54/96/190035496.db2.gz XVLPYDSDCQPPOJ-VQFNDLOPSA-N 1 0 295.386 2.766 40 0 CFABRO c1cn(Cc2ccccn2)c([C@@H]2C[NH2+]Cc3ccccc32)n1 ZINC000306137762 382452469 /nfs/dbraw/zinc/45/24/69/382452469.db2.gz RFFSXBVQGBZRJP-QGZVFWFLSA-N 1 0 290.370 2.562 40 0 CFABRO C[N@@H+]1CCC[C@H](c2nc3ccc(-c4cccnc4)cn3n2)C1 ZINC000306138525 382453553 /nfs/dbraw/zinc/45/35/53/382453553.db2.gz RZTQQNRQFDVBLE-HNNXBMFYSA-N 1 0 293.374 2.601 40 0 CFABRO C[n+]1ccc(/C=C/c2cccn2-c2cccnc2)cc1 ZINC000004932978 184532320 /nfs/dbraw/zinc/53/23/20/184532320.db2.gz PBKDSFGWWXCDSS-UHFFFAOYSA-N 1 0 262.336 2.867 40 0 CFABRO CCOC(=O)[C@@H](C[NH3+])[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000216350990 382783140 /nfs/dbraw/zinc/78/31/40/382783140.db2.gz MHWVLKHJFWLYSC-UUIJZJDISA-N 1 0 253.386 2.587 40 0 CFABRO CCCN1c2ccc(SCCC[NH3+])cc2CCC1=O ZINC000218804434 382790917 /nfs/dbraw/zinc/79/09/17/382790917.db2.gz JVSSMKLASDINNZ-UHFFFAOYSA-N 1 0 278.421 2.817 40 0 CFABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)C1CCCC1 ZINC000223532660 382805621 /nfs/dbraw/zinc/80/56/21/382805621.db2.gz WSEAOXNYJUYCQM-OAHLLOKOSA-N 1 0 266.429 2.947 40 0 CFABRO COCC[NH2+]Cc1cccn1-c1ccccc1Cl ZINC000223684493 382806246 /nfs/dbraw/zinc/80/62/46/382806246.db2.gz BEHANTRDLQIPSO-UHFFFAOYSA-N 1 0 264.756 2.867 40 0 CFABRO Fc1cccc(NC(=S)NCCC[NH+]2CCCCC2)c1 ZINC000225409945 382815323 /nfs/dbraw/zinc/81/53/23/382815323.db2.gz KPUGYKOWJWCQCW-UHFFFAOYSA-N 1 0 295.427 2.988 40 0 CFABRO COc1c2c(c(C(C)(F)F)c3c1C[N@H+](C)CC3)OCO2 ZINC000242548823 382986571 /nfs/dbraw/zinc/98/65/71/382986571.db2.gz LVBPYJXXGKWKIY-UHFFFAOYSA-N 1 0 285.290 2.524 40 0 CFABRO c1cc2n(c1)C[C@H](Oc1cccnc1)C[N@@H+](CC1CC1)C2 ZINC000253588754 383464208 /nfs/dbraw/zinc/46/42/08/383464208.db2.gz QTHVYINPHYCHJV-QGZVFWFLSA-N 1 0 283.375 2.556 40 0 CFABRO Cc1cncc([C@H]2CCCN(c3cc[nH+]cc3)C2)n1 ZINC000257240720 383493075 /nfs/dbraw/zinc/49/30/75/383493075.db2.gz HUVFXEFVXPLRFF-ZDUSSCGKSA-N 1 0 254.337 2.564 40 0 CFABRO Cc1cc2c[nH+]cn2c([C@@H]2CCCCN2C(=O)C2CCC2)n1 ZINC000257237099 383493489 /nfs/dbraw/zinc/49/34/89/383493489.db2.gz HFECOXMDKDOUQZ-HNNXBMFYSA-N 1 0 298.390 2.891 40 0 CFABRO C[N@H+](Cc1ccncc1)[C@@H]1CCCN(c2ccccn2)C1 ZINC000257205137 383493688 /nfs/dbraw/zinc/49/36/88/383493688.db2.gz AXVGNLNPBNLUKQ-MRXNPFEDSA-N 1 0 282.391 2.577 40 0 CFABRO COc1ccccc1[C@H]1CN(c2cc[nH+]cc2)CCN1C ZINC000257268376 383495126 /nfs/dbraw/zinc/49/51/26/383495126.db2.gz MLKRHBJSNVIMSO-MRXNPFEDSA-N 1 0 283.375 2.583 40 0 CFABRO [NH3+][C@H](CC1CCCCC1)C(=O)N[C@H]1C[C@H]1c1ccccc1 ZINC000261746738 383552315 /nfs/dbraw/zinc/55/23/15/383552315.db2.gz SSNWCEZBVVDBRS-BBWFWOEESA-N 1 0 286.419 2.956 40 0 CFABRO CC(C)(C)n1nc(C(F)(F)F)c(C[NH3+])c1Cl ZINC000057354238 256724187 /nfs/dbraw/zinc/72/41/87/256724187.db2.gz HNLVBDAHSSXVBY-UHFFFAOYSA-N 1 0 255.671 2.769 40 0 CFABRO CC[NH+]1CCC2(C[C@@H](Oc3ccccc3)CO2)CC1 ZINC000096221849 256827955 /nfs/dbraw/zinc/82/79/55/256827955.db2.gz POXOUFADDNJVMR-OAHLLOKOSA-N 1 0 261.365 2.709 40 0 CFABRO CCC(=O)N1N=C2[C@@H]([C@H]1c1ccco1)[C@H](C)[N@H+](C)C[C@@H]2C ZINC000004724369 393459162 /nfs/dbraw/zinc/45/91/62/393459162.db2.gz URLGZASRDBGECB-KFYUAXIPSA-N 1 0 289.379 2.515 40 0 CFABRO Cc1cc2cc(C(=O)N[C@H]3CCC[N@@H+](C)C3)ccc2o1 ZINC000019126467 393483141 /nfs/dbraw/zinc/48/31/41/393483141.db2.gz CAABTFKRUCALLJ-AWEZNQCLSA-N 1 0 272.348 2.565 40 0 CFABRO CCC[C@H]([NH2+]CC)C(=O)c1ccc(OC)c(OC)c1 ZINC000299817341 393463827 /nfs/dbraw/zinc/46/38/27/393463827.db2.gz WZVCLFAACAERMB-LBPRGKRZSA-N 1 0 265.353 2.665 40 0 in-vitro CFABRO COc1ccc2c(c1O)-c1cc(O)cc3c1[C@@H](C2)[NH2+]CC3 ZINC000006484945 393464035 /nfs/dbraw/zinc/46/40/35/393464035.db2.gz ZSRHWFGUMVUQOV-CYBMUJFWSA-N 1 0 283.327 2.516 40 0 CFABRO CCC[N@@H+]1CCCC[C@@H]1c1cccnc1N1CCOCC1 ZINC000072216240 393645357 /nfs/dbraw/zinc/64/53/57/393645357.db2.gz XMWLTUXNRDTALY-MRXNPFEDSA-N 1 0 289.423 2.855 40 0 CFABRO Cc1cc(N2CCOCC2)ncc1[C@H]1CCC[N@H+]1C(C)C ZINC000072219400 393646608 /nfs/dbraw/zinc/64/66/08/393646608.db2.gz LYRPPAMAOURZKN-MRXNPFEDSA-N 1 0 289.423 2.772 40 0 CFABRO CCn1c(C[NH2+]C[C@@H]2CCCO2)ccc1CC(C)C ZINC000226020365 393770310 /nfs/dbraw/zinc/77/03/10/393770310.db2.gz KWVZNRKNACYCEB-INIZCTEOSA-N 1 0 264.413 2.975 40 0 CFABRO O=C1Nc2ccccc2C12CC[NH+](Cc1ccoc1)CC2 ZINC000096052473 393814819 /nfs/dbraw/zinc/81/48/19/393814819.db2.gz ZPAPKBFCMZIVFW-UHFFFAOYSA-N 1 0 282.343 2.766 40 0 CFABRO Cc1cnc(N2CCC3(CCC[N@@H+]3CC3CC3)CC2)nc1 ZINC000096159384 393815753 /nfs/dbraw/zinc/81/57/53/393815753.db2.gz GBMPOHZMCJKJPQ-UHFFFAOYSA-N 1 0 286.423 2.630 40 0 CFABRO CC(C)N1CCCC[C@@H]1c1ncc(C(=O)N(C)C)s1 ZINC000257297933 393945091 /nfs/dbraw/zinc/94/50/91/393945091.db2.gz RJKSCTQPQWZXQA-LLVKDONJSA-N 1 0 281.425 2.780 40 0 CFABRO CC(C)N1C[C@@]2(CCC[N@H+](CC3CCCCC3)C2)C1=O ZINC000585099279 395100501 /nfs/dbraw/zinc/10/05/01/395100501.db2.gz ARHUNNLLFWBREA-KRWDZBQOSA-N 1 0 278.440 2.900 40 0 CFABRO O=C(N1CCCC1)C1(c2cccc(Cl)c2)CC[NH2+]CC1 ZINC000001698746 169744624 /nfs/dbraw/zinc/74/46/24/169744624.db2.gz CNLLZFMYHPQEGU-UHFFFAOYSA-N 1 0 292.810 2.584 40 0 CFABRO CC1([NH2+]CCOC(=O)c2ccc(N)cc2)CCCCC1 ZINC000001710477 169747729 /nfs/dbraw/zinc/74/77/29/169747729.db2.gz PHVSKXCCPRJVCN-UHFFFAOYSA-N 1 0 276.380 2.738 40 0 CFABRO Cc1ccc(OC[C@@H](O)C[NH2+]C(C)(C)C)c(C(C)(C)C)n1 ZINC000005330673 170086123 /nfs/dbraw/zinc/08/61/23/170086123.db2.gz IPSUZYFHLPZCTI-ZDUSSCGKSA-N 1 0 294.439 2.815 40 0 CFABRO CCCc1c(CC)cc2n1C(=[NH2+])C(C(N)=O)=C2SCC ZINC000005591528 170117047 /nfs/dbraw/zinc/11/70/47/170117047.db2.gz MKIPPAHOWMBFIF-UHFFFAOYSA-N 1 0 291.420 2.791 40 0 CFABRO CCCCc1n[n+]2c(ncc3c2CC[C@@H](C)C3)s1 ZINC000005671712 170126279 /nfs/dbraw/zinc/12/62/79/170126279.db2.gz IIYHSVQHUXWJFW-SNVBAGLBSA-N 1 0 262.402 2.744 40 0 CFABRO C[NH+](C)C[C@@H](Oc1ccccc1)C(=O)c1ccccc1 ZINC000006437146 170201324 /nfs/dbraw/zinc/20/13/24/170201324.db2.gz ARJIYYSWFUYCFV-MRXNPFEDSA-N 1 0 269.344 2.879 40 0 CFABRO C[C@@H]1CCC[N@H+](C[C@H](O)COc2ccccc2Cl)C1 ZINC000006455116 170202314 /nfs/dbraw/zinc/20/23/14/170202314.db2.gz PZHMKCPFKTYWHY-OLZOCXBDSA-N 1 0 283.799 2.812 40 0 CFABRO CC[NH+](CC)CCCNC(=O)Nc1ccccc1F ZINC000006462737 170203101 /nfs/dbraw/zinc/20/31/01/170203101.db2.gz DXDROMTWNHVYAD-UHFFFAOYSA-N 1 0 267.348 2.679 40 0 CFABRO Cc1cccc(NC(=S)NCCC[NH+]2CCCC2)c1 ZINC000007026923 170262779 /nfs/dbraw/zinc/26/27/79/170262779.db2.gz PCXHYVJRYSYFJE-UHFFFAOYSA-N 1 0 277.437 2.767 40 0 CFABRO Cc1ccccc1NC(=S)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000009876105 170387882 /nfs/dbraw/zinc/38/78/82/170387882.db2.gz GAXRISRXIXCFMB-ZDUSSCGKSA-N 1 0 277.437 2.623 40 0 CFABRO Cc1ccccc1NC(=S)NC[C@H]1CCC[N@@H+](C)C1 ZINC000009876112 170388021 /nfs/dbraw/zinc/38/80/21/170388021.db2.gz GAXRISRXIXCFMB-CYBMUJFWSA-N 1 0 277.437 2.623 40 0 CFABRO C[N@@H+]1CCC[C@@H](CNC(=S)Nc2ccccc2Cl)C1 ZINC000009876185 170388346 /nfs/dbraw/zinc/38/83/46/170388346.db2.gz OPCOMJLSVVXKPT-NSHDSACASA-N 1 0 297.855 2.968 40 0 CFABRO Cc1ccc(C)c(NC(=O)COc2ccc(C[NH3+])cc2)c1 ZINC000019261785 170762408 /nfs/dbraw/zinc/76/24/08/170762408.db2.gz MHZPHGUHIDHZPU-UHFFFAOYSA-N 1 0 284.359 2.780 40 0 CFABRO C[C@@H]([NH2+]Cc1ccc2c(c1)OCO2)C(=O)Nc1ccccc1 ZINC000035312108 172122891 /nfs/dbraw/zinc/12/28/91/172122891.db2.gz XPJJLRRNCWGTFV-GFCCVEGCSA-N 1 0 298.342 2.532 40 0 CFABRO Cc1ccnc(Nc2cc([C@H]3CCC[NH2+]C3)nc(C)n2)c1 ZINC000665887193 414469255 /nfs/dbraw/zinc/46/92/55/414469255.db2.gz RFOBNRSPMIYYIS-ZDUSSCGKSA-N 1 0 283.379 2.699 40 0 CFABRO CC(C)[C@H]([NH3+])C(=O)N(C)[C@@H](C)c1cccc(Cl)c1 ZINC000038101379 174117004 /nfs/dbraw/zinc/11/70/04/174117004.db2.gz GCKRLGREYLFMIA-GWCFXTLKSA-N 1 0 268.788 2.843 40 0 CFABRO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038857542 174158384 /nfs/dbraw/zinc/15/83/84/174158384.db2.gz YLJHDGLJSGSBFV-INIZCTEOSA-N 1 0 274.408 2.815 40 0 CFABRO CC(C)C[C@@H]1C[NH2+]CCN1C(=O)OCc1ccccc1 ZINC000039952234 174177314 /nfs/dbraw/zinc/17/73/14/174177314.db2.gz FBBZPXWNBZIIRN-OAHLLOKOSA-N 1 0 276.380 2.643 40 0 CFABRO CC[NH2+][C@@H](C)C(=O)c1ccc(Br)cc1 ZINC000041609145 174577158 /nfs/dbraw/zinc/57/71/58/174577158.db2.gz QHHVZFYRRDYLJB-QMMMGPOBSA-N 1 0 256.143 2.630 40 0 in-vitro CFABRO [NH3+]CCc1cc(C(F)(F)F)ccc1Br ZINC000044250306 175156309 /nfs/dbraw/zinc/15/63/09/175156309.db2.gz QSCKSYSFRDZEQZ-UHFFFAOYSA-N 1 0 268.076 2.969 40 0 CFABRO C[C@@H]1C[NH2+]CCN1CCCCOc1cccc(Cl)c1 ZINC000071978852 176307808 /nfs/dbraw/zinc/30/78/08/176307808.db2.gz CHYPSKHXLYRVHX-CYBMUJFWSA-N 1 0 282.815 2.793 40 0 CFABRO Cc1nccc([C@@H]2CCC[N@H+](Cc3ccncc3)C2)n1 ZINC000072351180 176374260 /nfs/dbraw/zinc/37/42/60/176374260.db2.gz IBKOFXINEPOVQX-OAHLLOKOSA-N 1 0 268.364 2.560 40 0 CFABRO c1cn(-c2cccc([C@@H]3CCC[N@@H+]3C3CCOCC3)n2)cn1 ZINC000072355622 176374750 /nfs/dbraw/zinc/37/47/50/176374750.db2.gz LCQSYFDOJUZUNW-INIZCTEOSA-N 1 0 298.390 2.583 40 0 CFABRO CC[N@@H+]1CCC[C@@H](c2cc(Nc3cnccn3)nc(C)n2)C1 ZINC000072363449 176378460 /nfs/dbraw/zinc/37/84/60/176378460.db2.gz CXSRCWCPMBLBCO-CYBMUJFWSA-N 1 0 298.394 2.518 40 0 CFABRO Fc1ccccc1Cc1ccc(CC2CC[NH2+]CC2)nn1 ZINC000072364735 176379872 /nfs/dbraw/zinc/37/98/72/176379872.db2.gz OFBOWBIPLMHANJ-UHFFFAOYSA-N 1 0 285.366 2.749 40 0 CFABRO Fc1ccccc1CNc1nccnc1C1CC[NH2+]CC1 ZINC000072365042 176380079 /nfs/dbraw/zinc/38/00/79/176380079.db2.gz WTABKRVABVEEGH-UHFFFAOYSA-N 1 0 286.354 2.695 40 0 CFABRO c1cn2c(n1)nccc2[C@@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000072367945 176382652 /nfs/dbraw/zinc/38/26/52/176382652.db2.gz LXAVOKATFPROSI-OAHLLOKOSA-N 1 0 293.374 2.504 40 0 CFABRO Cc1c(C[N@@H+]2CCC[C@H](Cc3ccccn3)C2)cnn1C ZINC000072385660 176390504 /nfs/dbraw/zinc/39/05/04/176390504.db2.gz NBKFVNDXEMQTGX-OAHLLOKOSA-N 1 0 284.407 2.578 40 0 CFABRO COc1ccccc1Cc1cnc([C@H]2CCC[NH2+]2)cn1 ZINC000072386867 176392165 /nfs/dbraw/zinc/39/21/65/176392165.db2.gz CXZPOSXOXOEHFE-CQSZACIVSA-N 1 0 269.348 2.501 40 0 CFABRO COc1cccc(-c2cnc(C3CC[NH2+]CC3)cn2)c1 ZINC000072386797 176392219 /nfs/dbraw/zinc/39/22/19/176392219.db2.gz NVFZQCCMTUYPOH-UHFFFAOYSA-N 1 0 269.348 2.619 40 0 CFABRO OCc1ccc(-c2ccnc(C3CC[NH2+]CC3)c2)cc1 ZINC000072386859 176392404 /nfs/dbraw/zinc/39/24/04/176392404.db2.gz HFFAHCONGDQKCY-UHFFFAOYSA-N 1 0 268.360 2.708 40 0 CFABRO Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2ccncc2)on1 ZINC000072395098 176394592 /nfs/dbraw/zinc/39/45/92/176394592.db2.gz ATWORGMKEVMVEU-GOEBONIOSA-N 1 0 271.364 2.879 40 0 CFABRO COCC[NH2+][C@H](C)c1ccn(Cc2ccccc2)c1 ZINC000078406167 177338654 /nfs/dbraw/zinc/33/86/54/177338654.db2.gz OGRGTVAVJABOGA-CQSZACIVSA-N 1 0 258.365 2.833 40 0 CFABRO [NH3+]CCCc1ccc(OC(F)F)cc1OC(F)F ZINC000078406413 177338956 /nfs/dbraw/zinc/33/89/56/177338956.db2.gz ZSYZFISEBKKTFA-UHFFFAOYSA-N 1 0 267.222 2.781 40 0 CFABRO Cc1ccc(C(=O)N2CCC3(CCC[NH2+]C3)CC2)cc1 ZINC000096157230 260563885 /nfs/dbraw/zinc/56/38/85/260563885.db2.gz VQNWCSCONJWUEU-UHFFFAOYSA-N 1 0 272.392 2.601 40 0 CFABRO [NH2+]=C(NO)[C@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000409419430 262351749 /nfs/dbraw/zinc/35/17/49/262351749.db2.gz DIXIVBWOMMFYSA-VHSXEESVSA-N 1 0 263.728 2.760 40 0 CFABRO Cc1ccc2c(c1)C1(CN2C(=O)c2ccco2)CC[NH2+]CC1 ZINC000096160999 265333099 /nfs/dbraw/zinc/33/30/99/265333099.db2.gz ZEEQBUKWZYPIRK-UHFFFAOYSA-N 1 0 296.370 2.870 40 0 CFABRO COc1ccc2c(c1O)-c1cc(O)cc3c1[C@H](C2)[NH2+]CC3 ZINC000001859099 274140748 /nfs/dbraw/zinc/14/07/48/274140748.db2.gz ZSRHWFGUMVUQOV-ZDUSSCGKSA-N 1 0 283.327 2.516 40 0 CFABRO CCc1nc2sc3c(c2c(NCC[NH3+])n1)CC[C@H](C)C3 ZINC000013998054 276696071 /nfs/dbraw/zinc/69/60/71/276696071.db2.gz FKHTZDLSYRVVRY-VIFPVBQESA-N 1 0 290.436 2.749 40 0 CFABRO CN(C)C(=O)c1sc2ccccc2c1[C@@H]1CC[NH2+]C1 ZINC000257235036 276750235 /nfs/dbraw/zinc/75/02/35/276750235.db2.gz GWDZAGVYNXTPQS-SNVBAGLBSA-N 1 0 274.389 2.680 40 0 CFABRO C[NH+]1CCC(C(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000174384453 277025017 /nfs/dbraw/zinc/02/50/17/277025017.db2.gz UOSZKSAXUNGNTG-INIZCTEOSA-N 1 0 272.392 2.522 40 0 CFABRO CC(C)(C)OC(=O)N1CCC[C@](C)([NH2+]C2CC2)C1 ZINC000095084665 277187104 /nfs/dbraw/zinc/18/71/04/277187104.db2.gz HMRMIIBSYRBPSD-AWEZNQCLSA-N 1 0 254.374 2.528 40 0 CFABRO CC(C)(C)OC(=O)N1CCC[C@@]12CCC[NH2+]CC2 ZINC000091304164 278392713 /nfs/dbraw/zinc/39/27/13/278392713.db2.gz MGZOCYLFFOCYGH-CQSZACIVSA-N 1 0 254.374 2.530 40 0 CFABRO CC(C)(C)OC(=O)NC12CCC(C[NH3+])(CC1)CC2 ZINC000306145516 278424983 /nfs/dbraw/zinc/42/49/83/278424983.db2.gz HKIFFGIMDKXVHB-UHFFFAOYSA-N 1 0 254.374 2.563 40 0 CFABRO C[C@@]1(CSC(N)=[NH2+])COc2ccccc2S1 ZINC000005534880 279164348 /nfs/dbraw/zinc/16/43/48/279164348.db2.gz XTUIVTALSVMCNX-NSHDSACASA-N 1 0 254.380 2.556 40 0 CFABRO CC(C)[NH2+][C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC000100177517 279627417 /nfs/dbraw/zinc/62/74/17/279627417.db2.gz DGOMFIXMWCIEBX-TXEJJXNPSA-N 1 0 256.390 2.820 40 0 CFABRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC1=Cc2ccccc2OC1 ZINC000019575042 288313394 /nfs/dbraw/zinc/31/33/94/288313394.db2.gz RARMCYJKNMCIKH-PBHICJAKSA-N 1 0 284.403 2.631 40 0 CFABRO Cc1cc(N)nc([C@@]2(C)CCC[N@@H+]2C2CCCC2)n1 ZINC000072388358 301330979 /nfs/dbraw/zinc/33/09/79/301330979.db2.gz DTYKTJMZDBJTMT-OAHLLOKOSA-N 1 0 260.385 2.621 40 0 CFABRO O=[S@@](c1ccc(Cl)cc1Cl)C1CC[NH2+]CC1 ZINC000083297489 327147823 /nfs/dbraw/zinc/14/78/23/327147823.db2.gz SACLOLKDPZCCFZ-INIZCTEOSA-N 1 0 278.204 2.853 40 0 CFABRO Cc1ccc(C[NH2+]CCCNc2nc(C)cc(C)n2)o1 ZINC000062717891 333176050 /nfs/dbraw/zinc/17/60/50/333176050.db2.gz BQZKBZOXRFUWJA-UHFFFAOYSA-N 1 0 274.368 2.587 40 0 CFABRO Cc1cccc(OC[C@@H](O)C[N@H+]2CCCC[C@H]2C)c1C ZINC000245229376 334185476 /nfs/dbraw/zinc/18/54/76/334185476.db2.gz WCIWGAPSFOBMTR-ZBFHGGJFSA-N 1 0 277.408 2.918 40 0 CFABRO Cc1ccc(NC(=S)NC2CC[NH+](C)CC2)c(C)c1 ZINC000013775570 230371202 /nfs/dbraw/zinc/37/12/02/230371202.db2.gz VOJJLAQHGIHPEI-UHFFFAOYSA-N 1 0 277.437 2.684 40 0 CFABRO CC(C)[C@@H]([NH3+])c1nnc(-c2cccc(Cl)c2)[nH]1 ZINC000095534711 185006816 /nfs/dbraw/zinc/00/68/16/185006816.db2.gz JZDVIUPTTQZPLG-SNVBAGLBSA-N 1 0 250.733 2.781 40 0 CFABRO c1csc(CN2CCC3(CCC[N@H+]3CC3CC3)CC2)n1 ZINC000096049296 185073015 /nfs/dbraw/zinc/07/30/15/185073015.db2.gz YIVBETALBXYBPV-UHFFFAOYSA-N 1 0 291.464 2.984 40 0 CFABRO c1cc(C[NH+]2C[C@@H]3CN(Cc4ccccn4)C[C@H]3C2)cs1 ZINC000096053786 185073756 /nfs/dbraw/zinc/07/37/56/185073756.db2.gz LQLMHLPVDPXAMO-HZPDHXFCSA-N 1 0 299.443 2.707 40 0 CFABRO CCOC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1ccco1)C2 ZINC000096056787 185077371 /nfs/dbraw/zinc/07/73/71/185077371.db2.gz XKBHRIAJUFNVCY-CVEARBPZSA-N 1 0 279.380 2.687 40 0 CFABRO C[N@@H+]1CCC[C@]2(CCC(=O)N2Cc2ccccc2)CC1 ZINC000096071969 185086807 /nfs/dbraw/zinc/08/68/07/185086807.db2.gz VOZSBUXCKYWSFA-KRWDZBQOSA-N 1 0 272.392 2.664 40 0 CFABRO c1ccc(CO[C@H]2CO[C@@]3(CC[N@H+](CC4CC4)C3)C2)cc1 ZINC000096072380 185088020 /nfs/dbraw/zinc/08/80/20/185088020.db2.gz HYELJXGNOUSMAT-MSOLQXFVSA-N 1 0 287.403 2.847 40 0 CFABRO c1ccc(CO[C@H]2CO[C@]3(CC[N@H+](CC4CC4)C3)C2)cc1 ZINC000096072378 185088304 /nfs/dbraw/zinc/08/83/04/185088304.db2.gz HYELJXGNOUSMAT-QZTJIDSGSA-N 1 0 287.403 2.847 40 0 CFABRO c1nc(C[NH+]2CCC3(C[C@@H](c4ccccc4)CO3)CC2)c[nH]1 ZINC000096089760 185095250 /nfs/dbraw/zinc/09/52/50/185095250.db2.gz NVITVIHPGSVTCW-MRXNPFEDSA-N 1 0 297.402 2.948 40 0 CFABRO CO[C@H]1COC2(C1)CC[NH+](Cc1ccccc1C)CC2 ZINC000096106533 185098589 /nfs/dbraw/zinc/09/85/89/185098589.db2.gz SWLACDBJMBICLK-MRXNPFEDSA-N 1 0 275.392 2.765 40 0 CFABRO CCCC[N@H+](Cc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000071006065 346919197 /nfs/dbraw/zinc/91/91/97/346919197.db2.gz UFBMVINGYKJHLF-INIZCTEOSA-N 1 0 295.448 2.784 40 0 CFABRO Cc1noc(C)c1-c1ccc([C@@H]2CCC[NH2+]C2)nc1 ZINC000257211630 282378680 /nfs/dbraw/zinc/37/86/80/282378680.db2.gz BZPQTVFJSQULAN-GFCCVEGCSA-N 1 0 257.337 2.820 40 0 CFABRO Clc1ccccc1Cn1cc2c(n1)C[C@H]1CC[C@@H]2[NH2+]1 ZINC000096510263 347702295 /nfs/dbraw/zinc/70/22/95/347702295.db2.gz SWXKFPINAPCBMB-RISCZKNCSA-N 1 0 273.767 2.934 40 0 CFABRO C[NH2+][C@H]1CCCC[C@H]1N(C(=O)OC(C)(C)C)C1CC1 ZINC000079437715 290829580 /nfs/dbraw/zinc/82/95/80/290829580.db2.gz ANGWZMALTASHTL-QWHCGFSZSA-N 1 0 268.401 2.917 40 0 CFABRO CC1(C)[C@H](OC[C@H](O)C[NH+]2CCCC2)[C@]2(C)CC[C@H]1C2 ZINC000245318921 348251540 /nfs/dbraw/zinc/25/15/40/348251540.db2.gz XMEQDPKFUATABQ-QSJFSLAZSA-N 1 0 281.440 2.675 40 0 CFABRO CC(C)(C)OC(=O)N(CC1CC1)[C@H]1CCC[C@H]1[NH3+] ZINC000409440003 348602609 /nfs/dbraw/zinc/60/26/09/348602609.db2.gz JHQAHJBTJCUJQT-NEPJUHHUSA-N 1 0 254.374 2.513 40 0 CFABRO O[C@H]1[C@H](Oc2ccc(F)cc2)CCC[C@@H]1[NH+]1CCCC1 ZINC000585286548 348738821 /nfs/dbraw/zinc/73/88/21/348738821.db2.gz ZZGQKOPYOYSTFT-ARFHVFGLSA-N 1 0 279.355 2.582 40 0 CFABRO Cc1ccccc1CNc1cc(C2CC2)[nH+]c(NC(C)C)n1 ZINC000329018333 202153419 /nfs/dbraw/zinc/15/34/19/202153419.db2.gz NPNBHMRYLJOEKM-UHFFFAOYSA-N 1 0 296.418 2.939 40 0 CFABRO [NH3+]C1CCN(Cc2ccccc2C(F)(F)F)CC1 ZINC000020521657 283415766 /nfs/dbraw/zinc/41/57/66/283415766.db2.gz OSRTXGKCWCMGGR-UHFFFAOYSA-N 1 0 258.287 2.629 40 0 CFABRO C=C(C(=O)OC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000000000961 371507824 /nfs/dbraw/zinc/50/78/24/371507824.db2.gz WPUIZWXOSDVQJU-XYPWUTKMSA-N 1 0 271.360 2.868 40 0 biogenic,in-vitro CFABRO CC(C)(C)[NH2+]C[C@@H](O)COc1cccc2c1SCCC2 ZINC000000000748 371508128 /nfs/dbraw/zinc/50/81/28/371508128.db2.gz HTWFXPCUFWKXOP-CYBMUJFWSA-N 1 0 295.448 2.853 40 0 world CFABRO C[NH+](C)C[C@H]1CCCC[C@@H]1OC(=O)c1ccccc1 ZINC000000392590 371603552 /nfs/dbraw/zinc/60/35/52/371603552.db2.gz OYIQBJVQPZHJHK-CABCVRRESA-N 1 0 261.365 2.964 40 0 CFABRO COc1cc2c(cc1OC)[N+](=O)C(c1ccccc1)C2=O ZINC000001574876 371682456 /nfs/dbraw/zinc/68/24/56/371682456.db2.gz IKSZKMFNGWQMHC-UHFFFAOYSA-N 1 0 283.283 2.531 40 0 CFABRO C[NH2+][C@H]([C@H](C)OC(=O)c1ccc(N)cc1)C1CCCCC1 ZINC000001710501 371700827 /nfs/dbraw/zinc/70/08/27/371700827.db2.gz LHSHUWZYCPAWMO-BLLLJJGKSA-N 1 0 290.407 2.982 40 0 CFABRO Nc1nc(N)c2c([nH+]1)CCc1c(Cl)cc(Cl)cc1-2 ZINC000001722907 371703704 /nfs/dbraw/zinc/70/37/04/371703704.db2.gz DMVAZGDNALLUNJ-UHFFFAOYSA-N 1 0 281.146 2.713 40 0 CFABRO CC[C@@H](OC[C@H](O)C[NH2+]C(C)(C)C)c1ccccc1 ZINC000002694593 371746229 /nfs/dbraw/zinc/74/62/29/371746229.db2.gz YPOIOMRSTNTUEO-HUUCEWRRSA-N 1 0 265.397 2.903 40 0 CFABRO CC1(C)[C@H]2CC[C@]1(C)C(=O)N(C[NH+]1CCCCCC1)C2=O ZINC000003154160 371776320 /nfs/dbraw/zinc/77/63/20/371776320.db2.gz QUBSWIBVHFEMFE-SUMWQHHRSA-N 1 0 292.423 2.631 40 0 CFABRO CC(C)[NH2+]C[C@@H](O)COc1ccc2c(c1)CCCCS2 ZINC000003604685 371812139 /nfs/dbraw/zinc/81/21/39/371812139.db2.gz HJXXJXTUZFCFEJ-CQSZACIVSA-N 1 0 295.448 2.853 40 0 CFABRO C[NH+](C)CCCNC(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000010339116 371905723 /nfs/dbraw/zinc/90/57/23/371905723.db2.gz XAMSTSATZRBIAO-UHFFFAOYSA-N 1 0 290.451 2.985 40 0 CFABRO Cc1c(C[NH+]2CCC(O)(c3ccc(C)cc3)CC2)cnn1C ZINC000012344297 371952068 /nfs/dbraw/zinc/95/20/68/371952068.db2.gz OTSMKSUQBLMSCO-UHFFFAOYSA-N 1 0 299.418 2.521 40 0 CFABRO c1cn(CCC[N@@H+](Cc2cnc[nH]2)C[C@H]2CC=CCC2)cn1 ZINC000013991195 372057061 /nfs/dbraw/zinc/05/70/61/372057061.db2.gz QHOAOEPWGOZWAB-INIZCTEOSA-N 1 0 299.422 2.855 40 0 CFABRO O=c1[nH]c2ccccc2[n+]2c1S[C@@H](c1ccccc1)[C@@H]2O ZINC000016478213 372107038 /nfs/dbraw/zinc/10/70/38/372107038.db2.gz FZVZNKSBFIFNKU-ZFWWWQNUSA-O 1 0 297.359 2.566 40 0 CFABRO Cc1ccccc1OC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000016758580 372119539 /nfs/dbraw/zinc/11/95/39/372119539.db2.gz UOIGYKBOEWYLBQ-GOSISDBHSA-N 1 0 297.398 2.793 40 0 CFABRO CC[C@@H](C[NH+]1CCCC1)n1cncc1-c1cn(C)nc1C ZINC000019719430 372179887 /nfs/dbraw/zinc/17/98/87/372179887.db2.gz YUQNMNZQESRYLL-AWEZNQCLSA-N 1 0 287.411 2.639 40 0 CFABRO Cc1nc2ccccn2c1CN1CCC([NH+]2CCCC2)CC1 ZINC000019714580 372180394 /nfs/dbraw/zinc/18/03/94/372180394.db2.gz PQOJDAJJKWSICK-UHFFFAOYSA-N 1 0 298.434 2.703 40 0 CFABRO [NH3+][C@@H]1CCCN(C(=O)c2cccnc2)[C@H]1c1ccccc1F ZINC000019368246 372158253 /nfs/dbraw/zinc/15/82/53/372158253.db2.gz GUTWUDGAALFPSX-CVEARBPZSA-N 1 0 299.349 2.525 40 0 CFABRO CC(C)c1ncc(CN2CCC([NH+]3CCCC3)CC2)cn1 ZINC000019454010 372164116 /nfs/dbraw/zinc/16/41/16/372164116.db2.gz KTRGPRDGFMTEOH-UHFFFAOYSA-N 1 0 288.439 2.660 40 0 CFABRO COc1ccc(/C=C/CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000019575028 372173871 /nfs/dbraw/zinc/17/38/71/372173871.db2.gz XKPYGZIQFOIGTK-LDHYMBSASA-N 1 0 286.419 2.877 40 0 CFABRO CCOc1cc(C[NH2+]CCN(CC)CC)ccc1OC ZINC000020089708 372229025 /nfs/dbraw/zinc/22/90/25/372229025.db2.gz KJGBEJMBAGVAHD-UHFFFAOYSA-N 1 0 280.412 2.525 40 0 CFABRO Clc1ccc(-c2nnc(C3CC[NH2+]CC3)o2)cc1 ZINC000019780358 372186342 /nfs/dbraw/zinc/18/63/42/372186342.db2.gz XRCLALYWUKGUMH-UHFFFAOYSA-N 1 0 263.728 2.857 40 0 CFABRO [NH3+]C[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000019843440 372198351 /nfs/dbraw/zinc/19/83/51/372198351.db2.gz RSEZOEOSDRNJIW-JTQLQIEISA-N 1 0 256.752 2.650 40 0 CFABRO NC(=[NH2+])SCc1ccc(OC(F)(F)F)cc1 ZINC000024937622 372284051 /nfs/dbraw/zinc/28/40/51/372284051.db2.gz OCEDKYMPFSVWCD-UHFFFAOYSA-N 1 0 250.245 2.712 40 0 CFABRO Fc1cccc(Cl)c1COC[C@@H]1CCC[NH2+]C1 ZINC000028521977 372366431 /nfs/dbraw/zinc/36/64/31/372366431.db2.gz HSPUUSGXELBZFF-SNVBAGLBSA-N 1 0 257.736 2.995 40 0 CFABRO O[C@@H](c1ccccc1)[C@@H](Cc1ccccc1)[NH+]1CCOCC1 ZINC000031923836 372422276 /nfs/dbraw/zinc/42/22/76/372422276.db2.gz BWITYFGGGWKHRC-MOPGFXCFSA-N 1 0 297.398 2.664 40 0 CFABRO COCC[NH2+]Cc1ccc(OC2CCCC2)c(OC)c1 ZINC000032126102 372430655 /nfs/dbraw/zinc/43/06/55/372430655.db2.gz MUABQQKXFPRSPP-UHFFFAOYSA-N 1 0 279.380 2.753 40 0 CFABRO CC(C)N(CC[NH3+])Cc1ccc(Br)cc1 ZINC000032118446 372431454 /nfs/dbraw/zinc/43/14/54/372431454.db2.gz UWSGPDSZYITUAK-UHFFFAOYSA-N 1 0 271.202 2.618 40 0 CFABRO CC(C)(C)OC(=O)NC1[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000033995612 372503581 /nfs/dbraw/zinc/50/35/81/372503581.db2.gz JYIFMNXUMIYQHE-YIONKMFJSA-N 1 0 288.391 2.642 40 0 CFABRO [NH3+]CCc1nc(-c2cc(Cl)ccc2Cl)no1 ZINC000034797663 372514295 /nfs/dbraw/zinc/51/42/95/372514295.db2.gz NNUMQUCOPJHAEF-UHFFFAOYSA-N 1 0 258.108 2.545 40 0 CFABRO Brc1ccc2[nH]c([C@@H]3CCC[NH2+]C3)nc2c1 ZINC000037441103 372665067 /nfs/dbraw/zinc/66/50/67/372665067.db2.gz UUVYRPYGICUZDK-MRVPVSSYSA-N 1 0 280.169 2.792 40 0 CFABRO [NH3+][C@H]1CCCN(Cc2ccc(F)c(Br)c2)C1 ZINC000041027760 372804209 /nfs/dbraw/zinc/80/42/09/372804209.db2.gz QHPJTCAQAMRJBW-JTQLQIEISA-N 1 0 287.176 2.511 40 0 CFABRO OC[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000041391162 372835618 /nfs/dbraw/zinc/83/56/18/372835618.db2.gz FBQWXTVKTFSVFH-GFCCVEGCSA-N 1 0 270.170 2.578 40 0 CFABRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]Cc2cccnc2)C1 ZINC000043324832 372989461 /nfs/dbraw/zinc/98/94/61/372989461.db2.gz JXBUOGOUJLTBTC-AWEZNQCLSA-N 1 0 291.395 2.571 40 0 CFABRO [NH3+]CCCn1cc(-c2cccc(Br)c2)cn1 ZINC000049876464 373328107 /nfs/dbraw/zinc/32/81/07/373328107.db2.gz SASCFEBAFIRFQV-UHFFFAOYSA-N 1 0 280.169 2.661 40 0 CFABRO Fc1cccc([C@H]2CN(Cc3ccccc3)CC[NH2+]2)c1 ZINC000056894958 373574436 /nfs/dbraw/zinc/57/44/36/373574436.db2.gz HIHFSVKKVHQRQF-QGZVFWFLSA-N 1 0 270.351 2.972 40 0 CFABRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1 ZINC000060056022 373688520 /nfs/dbraw/zinc/68/85/20/373688520.db2.gz QEUZNHUJODFJRI-LSDHHAIUSA-N 1 0 276.380 2.786 40 0 CFABRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)OCc1ccccc1 ZINC000060056024 373688627 /nfs/dbraw/zinc/68/86/27/373688627.db2.gz QEUZNHUJODFJRI-HUUCEWRRSA-N 1 0 276.380 2.786 40 0 CFABRO CC(C)C[NH+]1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000060320472 373690859 /nfs/dbraw/zinc/69/08/59/373690859.db2.gz SRNSDGBFKQUICG-UHFFFAOYSA-N 1 0 270.417 2.879 40 0 CFABRO CC[C@@H](C)Oc1ccc(C[NH2+]CCOC)cc1OC ZINC000062731919 373765854 /nfs/dbraw/zinc/76/58/54/373765854.db2.gz JDQNHLZZXAJIEO-GFCCVEGCSA-N 1 0 267.369 2.609 40 0 CFABRO Cc1noc(C2CC[NH+](CCc3ccccc3)CC2)n1 ZINC000064940016 373839684 /nfs/dbraw/zinc/83/96/84/373839684.db2.gz KWTQEHUNHLQYOR-UHFFFAOYSA-N 1 0 271.364 2.800 40 0 CFABRO Clc1ccccc1OCCCCN1CCC[NH2+]CC1 ZINC000067799503 374004058 /nfs/dbraw/zinc/00/40/58/374004058.db2.gz HLJRCLKMSPNCEW-UHFFFAOYSA-N 1 0 282.815 2.794 40 0 CFABRO CC(C)[NH2+][C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000073652603 374365097 /nfs/dbraw/zinc/36/50/97/374365097.db2.gz HQGWZMHVKLIQIS-OAHLLOKOSA-N 1 0 276.380 2.786 40 0 CFABRO Cn1cc([C@H](CNC(=O)C2CCC2)[NH+](C)C)c2ccccc21 ZINC000075149124 374463818 /nfs/dbraw/zinc/46/38/18/374463818.db2.gz WQGVTONDKHMVEV-KRWDZBQOSA-N 1 0 299.418 2.697 40 0 CFABRO CC(C)N(Cc1cccc(Br)c1)C(=O)[C@H](C)[NH3+] ZINC000079420576 374609278 /nfs/dbraw/zinc/60/92/78/374609278.db2.gz BVWLQXYGYKBWNX-JTQLQIEISA-N 1 0 299.212 2.533 40 0 CFABRO CC(C)N(C(=O)C[NH3+])[C@@H](C)c1cccc(Cl)c1 ZINC000079421123 374610528 /nfs/dbraw/zinc/61/05/28/374610528.db2.gz STQZXHUKEHJJNW-JTQLQIEISA-N 1 0 254.761 2.597 40 0 CFABRO CC[NH2+]C[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000079437168 374611511 /nfs/dbraw/zinc/61/15/11/374611511.db2.gz YIGVBCYJJOKHCM-HNNXBMFYSA-N 1 0 276.380 2.787 40 0 CFABRO O=C(OCc1ccccc1)N1CCCC[C@H]1C[NH2+]C1CC1 ZINC000079437283 374612536 /nfs/dbraw/zinc/61/25/36/374612536.db2.gz GUFKQXPACGJEIH-INIZCTEOSA-N 1 0 288.391 2.930 40 0 CFABRO CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)OCc1ccccc1 ZINC000079437200 374612709 /nfs/dbraw/zinc/61/27/09/374612709.db2.gz IWDCYRRMPHXLBJ-HUUCEWRRSA-N 1 0 276.380 2.834 40 0 CFABRO Cc1ccc([C@H](C)NC(=O)C2CC[NH+](C)CC2)cc1 ZINC000081247637 374689530 /nfs/dbraw/zinc/68/95/30/374689530.db2.gz PRRPSKTZWNFBJZ-ZDUSSCGKSA-N 1 0 260.381 2.514 40 0 CFABRO CCc1cccc(C)c1NC(=O)[C@@H]1CCC[N@H+](C)C1 ZINC000082323481 374735863 /nfs/dbraw/zinc/73/58/63/374735863.db2.gz MBUQYRGQOJQMLB-CQSZACIVSA-N 1 0 260.381 2.838 40 0 CFABRO COc1ccc(Cl)cc1NC(=O)[C@@H]1CCC[N@H+](C)C1 ZINC000082325397 374736106 /nfs/dbraw/zinc/73/61/06/374736106.db2.gz GLQJLRBLJYULNM-SNVBAGLBSA-N 1 0 282.771 2.629 40 0 CFABRO C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2Br)C1 ZINC000082335784 374737958 /nfs/dbraw/zinc/73/79/58/374737958.db2.gz ATRJKBLUSWHVIT-JTQLQIEISA-N 1 0 297.196 2.729 40 0 CFABRO CC[C@H]([NH3+])COCc1ccccc1Br ZINC000089261759 374892540 /nfs/dbraw/zinc/89/25/40/374892540.db2.gz SVDHJBNLSXLZTR-JTQLQIEISA-N 1 0 258.159 2.703 40 0 CFABRO C(OC[C@@]12CCCO[C@H]1CC[N@H+](CC1CC1)C2)C1CC1 ZINC000096057028 375468579 /nfs/dbraw/zinc/46/85/79/375468579.db2.gz WSYAFLMYEMLSBV-IRXDYDNUSA-N 1 0 279.424 2.694 40 0 CFABRO C[N@@H+]1CCCC[C@@]12CCCN(Cc1cccnc1)C2 ZINC000096217564 375479440 /nfs/dbraw/zinc/47/94/40/375479440.db2.gz BTHYKMLGLYSEDA-INIZCTEOSA-N 1 0 259.397 2.532 40 0 CFABRO COC[C@H]1COCCC12CC[NH+](Cc1ccccc1)CC2 ZINC000096215258 375479577 /nfs/dbraw/zinc/47/95/77/375479577.db2.gz YGHMZNYOLVDCOE-KRWDZBQOSA-N 1 0 289.419 2.952 40 0 CFABRO CC(C)CN1C(=O)CCC12CC[NH+](Cc1ccoc1)CC2 ZINC000096228029 375480131 /nfs/dbraw/zinc/48/01/31/375480131.db2.gz ZOTWWEFHGDOVBI-UHFFFAOYSA-N 1 0 290.407 2.893 40 0 CFABRO CCn1nc(C)c(C[NH2+]CCc2cccc(OC)c2)c1F ZINC000256051618 190003666 /nfs/dbraw/zinc/00/36/66/190003666.db2.gz JWVHARQUNIRJPP-UHFFFAOYSA-N 1 0 291.370 2.691 40 0 CFABRO Fc1ccc(C[NH2+]Cc2cnn(CC(F)F)c2)s1 ZINC000256051433 190003803 /nfs/dbraw/zinc/00/38/03/190003803.db2.gz JDKSCSPBVIPYRH-UHFFFAOYSA-N 1 0 275.299 2.639 40 0 CFABRO CC[C@@H](C)n1nccc1C[NH2+]CCCOC(C)C ZINC000256051347 190004027 /nfs/dbraw/zinc/00/40/27/190004027.db2.gz IUIJIBDAJVYVLQ-CYBMUJFWSA-N 1 0 253.390 2.759 40 0 CFABRO Cn1ncc(C[NH2+]CCc2ccccc2)c1C(F)(F)F ZINC000256052799 190004512 /nfs/dbraw/zinc/00/45/12/190004512.db2.gz OSVSVLGABAXKDX-UHFFFAOYSA-N 1 0 283.297 2.771 40 0 CFABRO Cc1c(C[NH2+]CCc2ccccc2)cnn1CC(F)F ZINC000256054412 190005646 /nfs/dbraw/zinc/00/56/46/190005646.db2.gz WDVLWLSKQSWKMX-UHFFFAOYSA-N 1 0 279.334 2.789 40 0 CFABRO CN(C)Cc1cncc([C@@H]2CCC[N@@H+]2C2CCCC2)n1 ZINC000257205799 190011470 /nfs/dbraw/zinc/01/14/70/190011470.db2.gz BAPIHZBFUPWOBG-INIZCTEOSA-N 1 0 274.412 2.618 40 0 CFABRO C[N@@H+]1CCN(Cc2cccnc2)C[C@@H]1c1ccccc1 ZINC000257213852 190012893 /nfs/dbraw/zinc/01/28/93/190012893.db2.gz CJIHGDYHLSQVLV-QGZVFWFLSA-N 1 0 267.376 2.570 40 0 CFABRO CC(C)[N@@H+]1CCC[C@H](Cc2cncc(-c3cncn3C)n2)C1 ZINC000257213364 190012988 /nfs/dbraw/zinc/01/29/88/190012988.db2.gz CHGCINJTATUXQI-CQSZACIVSA-N 1 0 299.422 2.540 40 0 CFABRO Nc1nccnc1C[C@@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC000257212045 190013150 /nfs/dbraw/zinc/01/31/50/190013150.db2.gz CBRRADULQKEIBW-LBPRGKRZSA-N 1 0 288.420 2.575 40 0 CFABRO CN(Cc1ccccc1)c1ccc(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000257216756 190013994 /nfs/dbraw/zinc/01/39/94/190013994.db2.gz CVXSEFSPKYSKBU-INIZCTEOSA-N 1 0 296.418 2.655 40 0 CFABRO Clc1cccc(O[C@@H]2COC3(C2)CC[NH2+]CC3)c1 ZINC000257197760 190010155 /nfs/dbraw/zinc/01/01/55/190010155.db2.gz IOYWYUQNSYTVKL-ZDUSSCGKSA-N 1 0 267.756 2.630 40 0 CFABRO Cc1n[nH]cc1C[NH+]1CCC(C)(c2nccs2)CC1 ZINC000257226672 190015442 /nfs/dbraw/zinc/01/54/42/190015442.db2.gz FLQLIGZRSKWCFB-UHFFFAOYSA-N 1 0 276.409 2.728 40 0 CFABRO CC(C)n1cc(-c2cnc(C[C@H]3CCC[N@H+](C)C3)cn2)cn1 ZINC000257222311 190014742 /nfs/dbraw/zinc/01/47/42/190014742.db2.gz DSUUNAUCCZWGHI-CQSZACIVSA-N 1 0 299.422 2.805 40 0 CFABRO c1csc(C[N@H+]2CCC[C@H](Cc3cc[nH]n3)C2)c1 ZINC000257234789 190017309 /nfs/dbraw/zinc/01/73/09/190017309.db2.gz GVCSGCRSWJWDGF-GFCCVEGCSA-N 1 0 261.394 2.926 40 0 CFABRO C[N@@H+]1CCC[C@@]2(C)[C@H]1CCCN2Cc1cccnc1 ZINC000257243583 190018555 /nfs/dbraw/zinc/01/85/55/190018555.db2.gz IHQIFQXQRPAJRW-CVEARBPZSA-N 1 0 259.397 2.530 40 0 CFABRO CN(C)c1nc([C@@H]2CCC[N@@H+]2CC2CC2)cn2cccc12 ZINC000257251403 190019967 /nfs/dbraw/zinc/01/99/67/190019967.db2.gz JQQAGPMPXAINOK-HNNXBMFYSA-N 1 0 284.407 2.947 40 0 CFABRO CCCCc1ncc(C[N@@H+]2CC[C@@H](c3n[nH]cc3C)C2)[nH]1 ZINC000257266189 190022958 /nfs/dbraw/zinc/02/29/58/190022958.db2.gz MBYAGTNQOJWXMH-CYBMUJFWSA-N 1 0 287.411 2.773 40 0 CFABRO CN(C)Cc1c[nH]c([C@H]2CC[N@H+](CCc3ccccc3)C2)n1 ZINC000257263118 190022640 /nfs/dbraw/zinc/02/26/40/190022640.db2.gz LOMVTHGBABEOCA-INIZCTEOSA-N 1 0 298.434 2.503 40 0 CFABRO Cc1csc(Nc2cc(C)nc([C@H]3CCC[NH2+]C3)n2)n1 ZINC000257283398 190026205 /nfs/dbraw/zinc/02/62/05/190026205.db2.gz OYCXMQYUVJKMDN-NSHDSACASA-N 1 0 289.408 2.761 40 0 CFABRO CC(C)(C)OC(=O)N1CCCC[C@@H]2[NH2+]CCC[C@@]21C ZINC000257283305 190026484 /nfs/dbraw/zinc/02/64/84/190026484.db2.gz OXSLIWGQDGJMFK-WFASDCNBSA-N 1 0 268.401 2.918 40 0 CFABRO CCn1nccc1-c1cc(C)nc(CC2CC[NH+](C)CC2)n1 ZINC000257309339 190031479 /nfs/dbraw/zinc/03/14/79/190031479.db2.gz UAOMCPUBUJHDDH-UHFFFAOYSA-N 1 0 299.422 2.553 40 0 CFABRO Cc1ccc(C[N@@H+]2CCC[C@H](c3ccncn3)C2)cn1 ZINC000257292165 190027817 /nfs/dbraw/zinc/02/78/17/190027817.db2.gz QKGSLOWDLUGOSY-HNNXBMFYSA-N 1 0 268.364 2.560 40 0 CFABRO COc1ccc(C[N@@H+]2CC[C@H](c3nc(C)c[nH]3)C2)c(F)c1 ZINC000257293283 190028405 /nfs/dbraw/zinc/02/84/05/190028405.db2.gz QOWOLKIBNJYCPC-ZDUSSCGKSA-N 1 0 289.354 2.855 40 0 CFABRO COc1ccc(C[C@@H]2CC3(CO2)CC[NH+](C)CC3)cc1 ZINC000257293444 190028649 /nfs/dbraw/zinc/02/86/49/190028649.db2.gz QPLLGFIYINJIAX-MRXNPFEDSA-N 1 0 275.392 2.739 40 0 CFABRO CC(C)n1ccnc1CN1CC[NH2+]C[C@H]1c1ccccc1 ZINC000257300055 190029192 /nfs/dbraw/zinc/02/91/92/190029192.db2.gz RSSHOIAWCDJONI-INIZCTEOSA-N 1 0 284.407 2.611 40 0 CFABRO Cc1noc(C)c1-c1ccnc(C2CC[NH2+]CC2)c1 ZINC000257320762 190033237 /nfs/dbraw/zinc/03/32/37/190033237.db2.gz VYMJMXJRBXDRLP-UHFFFAOYSA-N 1 0 257.337 2.820 40 0 CFABRO Cc1ncsc1C(=O)N1CCC[C@H]2[N@H+](C)CCC[C@@]21C ZINC000257319130 190033602 /nfs/dbraw/zinc/03/36/02/190033602.db2.gz VQXQMIXJFIZCLL-DOMZBBRYSA-N 1 0 293.436 2.540 40 0 CFABRO C[N@H+]1[C@H](c2ccccc2F)C[C@H]2NC(=O)CCCC[C@@H]21 ZINC000257334776 190036182 /nfs/dbraw/zinc/03/61/82/190036182.db2.gz YHIRBEGNWRDTSH-ILXRZTDVSA-N 1 0 276.355 2.630 40 0 CFABRO CCn1nccc1-c1nccnc1[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000257341197 190037095 /nfs/dbraw/zinc/03/70/95/190037095.db2.gz ZJGTWBINSQQIPP-AWEZNQCLSA-N 1 0 299.422 2.948 40 0 CFABRO C[C@@H]1C[NH2+]CCC[C@H]1CNC(=O)OCc1ccccc1 ZINC000261506710 190039708 /nfs/dbraw/zinc/03/97/08/190039708.db2.gz AGEQYCBKWKQTAR-HIFRSBDPSA-N 1 0 276.380 2.549 40 0 CFABRO CC[N@@H+]1CC[C@H](c2cc(Nc3nccs3)nc(C)n2)C1 ZINC000257344339 190037843 /nfs/dbraw/zinc/03/78/43/190037843.db2.gz ZWTQBVZGNYMTRD-NSHDSACASA-N 1 0 289.408 2.794 40 0 CFABRO Brc1ccc2c(CN3CCOCC3)c[nH]c2c1 ZINC000258169931 190038089 /nfs/dbraw/zinc/03/80/89/190038089.db2.gz YANMTTYSQLFRTB-UHFFFAOYSA-N 1 0 295.180 2.763 40 0 CFABRO CCc1ccc(CC(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000172823673 379654210 /nfs/dbraw/zinc/65/42/10/379654210.db2.gz NAWRYEUZUXGQNJ-UHFFFAOYSA-N 1 0 288.435 2.784 40 0 CFABRO c1nc([C@H]2CCC[NH2+]2)c2ccc(-c3cccnc3)cn12 ZINC000306138670 382452811 /nfs/dbraw/zinc/45/28/11/382452811.db2.gz SDXBCWCHXSOYKH-CQSZACIVSA-N 1 0 264.332 2.821 40 0 CFABRO C/C(=C\c1ccccc1)C[N@@H+](C)[C@@H](C)C[S@](C)=O ZINC000192973492 382714223 /nfs/dbraw/zinc/71/42/23/382714223.db2.gz INVMYADMEPOTCW-JZCOREKGSA-N 1 0 265.422 2.789 40 0 CFABRO C1C[NH2+]C[C@@H](c2nc([C@@H]3CCCSCC3)no2)C1 ZINC000575415205 382770223 /nfs/dbraw/zinc/77/02/23/382770223.db2.gz ZWUUFUZAOIZTDM-MNOVXSKESA-N 1 0 267.398 2.537 40 0 CFABRO Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1CCC[NH2+]1 ZINC000217458862 382787021 /nfs/dbraw/zinc/78/70/21/382787021.db2.gz QCHALUNMFLWMBH-HNNXBMFYSA-N 1 0 255.365 2.973 40 0 CFABRO COc1ccc(Cl)c2c(NCC[NH3+])cc(C)nc12 ZINC000222691805 382803229 /nfs/dbraw/zinc/80/32/29/382803229.db2.gz DPHTYBYXGSMTKL-UHFFFAOYSA-N 1 0 265.744 2.576 40 0 CFABRO CC(C)[N@@H+]1CC[C@H]2COC(=O)N2c2cc(F)ccc2C1 ZINC000225484755 382817042 /nfs/dbraw/zinc/81/70/42/382817042.db2.gz UBQNUYCYKMRRNF-ZDUSSCGKSA-N 1 0 278.327 2.765 40 0 biogenic,in-vitro CFABRO CC(C)[N@@H+]1CC[C@H]2COC(=O)N2c2ccccc2C1 ZINC000225482198 382817356 /nfs/dbraw/zinc/81/73/56/382817356.db2.gz UAMSHBMLEGPHGI-ZDUSSCGKSA-N 1 0 260.337 2.626 40 0 biogenic,in-vitro CFABRO Cc1ccccc1CN1CC2(C1)OCC[C@@H]2CC[NH+](C)C ZINC000248131926 383213420 /nfs/dbraw/zinc/21/34/20/383213420.db2.gz QQMGMGQASWJZJW-KRWDZBQOSA-N 1 0 288.435 2.538 40 0 CFABRO C[C@@H]1CCCN([C@H](C[NH3+])c2ccc(F)cc2F)C1 ZINC000252221653 383406037 /nfs/dbraw/zinc/40/60/37/383406037.db2.gz ZERAQKLSEVJDKP-QMTHXVAHSA-N 1 0 254.324 2.697 40 0 CFABRO CC[N@@H+]1CC[C@]2(c3ccccc3)CCN(C(=O)C3CC3)C[C@@H]12 ZINC000249694631 383356877 /nfs/dbraw/zinc/35/68/77/383356877.db2.gz PHBHBAPCLDGUFX-IEBWSBKVSA-N 1 0 298.430 2.661 40 0 CFABRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]3(C)[C@@H](CCC[C@@H]13)[NH2+]2 ZINC000254286888 383465987 /nfs/dbraw/zinc/46/59/87/383465987.db2.gz OVXDMFYUNZUGHD-YFCNSXCBSA-N 1 0 266.385 2.526 40 0 CFABRO COc1ccccc1[C@@H]1CN(c2cc[nH+]cc2)CCN1C ZINC000257268375 383495418 /nfs/dbraw/zinc/49/54/18/383495418.db2.gz MLKRHBJSNVIMSO-INIZCTEOSA-N 1 0 283.375 2.583 40 0 CFABRO [NH3+][C@H](CC1CCCCC1)C(=O)N[C@H]1C[C@@H]1c1ccccc1 ZINC000261746744 383552280 /nfs/dbraw/zinc/55/22/80/383552280.db2.gz SSNWCEZBVVDBRS-ZACQAIPSSA-N 1 0 286.419 2.956 40 0 CFABRO c1ccc(C[NH2+]C[C@H]2COCc3nc4ccccc4n32)cc1 ZINC000096112703 285478041 /nfs/dbraw/zinc/47/80/41/285478041.db2.gz XGSNUJOURZMNAQ-HNNXBMFYSA-N 1 0 293.370 2.897 40 0 biogenic,in-vitro CFABRO COCC[NH2+]Cc1cccn1Cc1ccc(C)cc1 ZINC000035293081 393520973 /nfs/dbraw/zinc/52/09/73/393520973.db2.gz KVKZHFMDBKDVCL-UHFFFAOYSA-N 1 0 258.365 2.581 40 0 CFABRO CCNc1ncc(C[NH2+][C@H](C)c2ccccc2)cn1 ZINC000062717519 393627467 /nfs/dbraw/zinc/62/74/67/393627467.db2.gz AMCKPWQAICUHGL-GFCCVEGCSA-N 1 0 256.353 2.759 40 0 CFABRO C[C@H]1C[NH2+]CCN1Cc1cc(Cl)ccc1Cl ZINC000072203564 393642067 /nfs/dbraw/zinc/64/20/67/393642067.db2.gz YLHUTYKILDDOAZ-VIFPVBQESA-N 1 0 259.180 2.787 40 0 CFABRO CC[C@H]([NH2+]C)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072207672 393642670 /nfs/dbraw/zinc/64/26/70/393642670.db2.gz CENDFVPDXZUHOW-NWDGAFQWSA-N 1 0 256.390 2.774 40 0 CFABRO Cc1cc([C@@H](C)[NH3+])cnc1N1CCc2ccccc2C1 ZINC000072222851 393646087 /nfs/dbraw/zinc/64/60/87/393646087.db2.gz ZBKRXJVHAGNFBQ-CYBMUJFWSA-N 1 0 267.376 2.972 40 0 CFABRO C[NH2+]Cc1cnc(N2CCc3ccccc3C2)cc1C ZINC000072223902 393647695 /nfs/dbraw/zinc/64/76/95/393647695.db2.gz VPJFGAVJJMRLQU-UHFFFAOYSA-N 1 0 267.376 2.672 40 0 CFABRO CCN(C)c1ccc([C@H]([NH3+])c2ccccc2)c(C)n1 ZINC000072224287 393647869 /nfs/dbraw/zinc/64/78/69/393647869.db2.gz ZLFAKSKLVQQWNY-MRXNPFEDSA-N 1 0 255.365 2.894 40 0 CFABRO COc1ccccc1-c1n[nH]c([C@@H]([NH3+])Cc2ccccc2)n1 ZINC000095534889 393812903 /nfs/dbraw/zinc/81/29/03/393812903.db2.gz PHEPCKLSWUZSPO-AWEZNQCLSA-N 1 0 294.358 2.723 40 0 CFABRO CCOc1cc(C[NH2+]CCOC)cc2ccccc21 ZINC000096527833 393838094 /nfs/dbraw/zinc/83/80/94/393838094.db2.gz QTNWJENYEXXTJW-UHFFFAOYSA-N 1 0 259.349 2.975 40 0 CFABRO Cc1ccc(C(=O)N2CC[C@H]3[C@H]2CC[N@H+]3CC(C)C)o1 ZINC000096055787 393814127 /nfs/dbraw/zinc/81/41/27/393814127.db2.gz QUARSKKOMDYIIQ-UONOGXRCSA-N 1 0 276.380 2.533 40 0 CFABRO Cc1ccc(-c2cn3c(n2)CO[C@@H](C[NH2+]C2CCC2)C3)cc1 ZINC000096269400 393818664 /nfs/dbraw/zinc/81/86/64/393818664.db2.gz DBTCIBPBCMEOOT-INIZCTEOSA-N 1 0 297.402 2.899 40 0 biogenic,in-vitro CFABRO CN1C(=O)CC[C@]12CCC[N@H+](CCc1ccccc1)CC2 ZINC000585100635 395100141 /nfs/dbraw/zinc/10/01/41/395100141.db2.gz RALYJKIIWOCDQL-SFHVURJKSA-N 1 0 286.419 2.706 40 0 CFABRO CC[C@@H](C)[N@@H+]1CCC[C@@]2(CCC(=O)N2CCF)CC1 ZINC000585099807 395100348 /nfs/dbraw/zinc/10/03/48/395100348.db2.gz CCEYTXOJVXLRTB-UKRRQHHQSA-N 1 0 270.392 2.602 40 0 CFABRO CC(C)[C@@H](NC(=O)OC(C)(C)C)[C@H]([NH3+])C(C)(C)C ZINC000072208957 397590629 /nfs/dbraw/zinc/59/06/29/397590629.db2.gz AOFPFNVVWPZLMO-MNOVXSKESA-N 1 0 258.406 2.909 40 0 CFABRO CCC(CC)[NH2+][C@H](CC)COC(=O)c1ccc(N)cc1 ZINC000001709169 169746924 /nfs/dbraw/zinc/74/69/24/169746924.db2.gz WDGAXBKMTIFEFX-OAHLLOKOSA-N 1 0 278.396 2.982 40 0 CFABRO C[C@@H](O)CC[NH2+][C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000004777571 170015475 /nfs/dbraw/zinc/01/54/75/170015475.db2.gz YEUANSOODKQTER-FHLIZLRMSA-N 1 0 285.387 2.822 40 0 CFABRO C[NH2+]C[C@@H]1COC(c2ccccc2)(c2ccccc2)O1 ZINC000004791834 170017531 /nfs/dbraw/zinc/01/75/31/170017531.db2.gz BHLPBEHXCUEMOP-MRXNPFEDSA-N 1 0 269.344 2.523 40 0 CFABRO COc1ccc2c3c1O[C@@H]1C(C)=CC[C@H]4[C@H](C2)[N@@H+](C)CC[C@@]314 ZINC000004972550 170047224 /nfs/dbraw/zinc/04/72/24/170047224.db2.gz NNYZBNCSKHLPBE-YXUGBTPSSA-N 1 0 297.398 2.920 40 0 CFABRO c1ccc(C[NH2+]CCCSc2ncccn2)cc1 ZINC000004983976 170048958 /nfs/dbraw/zinc/04/89/58/170048958.db2.gz QVLDRUHNDMNAQD-UHFFFAOYSA-N 1 0 259.378 2.749 40 0 CFABRO CC[NH+](CC)CCC(=O)c1ccc2c(c1)OCCCO2 ZINC000005469518 170102374 /nfs/dbraw/zinc/10/23/74/170102374.db2.gz XJFAWDMTZRPFNY-UHFFFAOYSA-N 1 0 277.364 2.763 40 0 CFABRO COc1ccccc1C(=O)O[C@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000005574321 170115175 /nfs/dbraw/zinc/11/51/75/170115175.db2.gz KTZCSPSWFXRDPE-HUBLWGQQSA-N 1 0 277.364 2.581 40 0 CFABRO CC[NH2+][C@@H]1C2(CCCCC2)NC(=O)C12CCCCC2 ZINC000005807779 170142111 /nfs/dbraw/zinc/14/21/11/170142111.db2.gz FIVJYMCKWGPQTN-ZDUSSCGKSA-N 1 0 264.413 2.748 40 0 CFABRO CC[C@@H](C)[NH2+]C[C@H](O)CO[C@@H](CC)c1ccccc1 ZINC000006440081 170201303 /nfs/dbraw/zinc/20/13/03/170201303.db2.gz GKKSTNFFRRFMHC-KBMXLJTQSA-N 1 0 265.397 2.903 40 0 CFABRO CC[C@H](C)[NH2+]C[C@H](O)CO[C@@H](CC)c1ccccc1 ZINC000006440688 170201576 /nfs/dbraw/zinc/20/15/76/170201576.db2.gz GKKSTNFFRRFMHC-BPUTZDHNSA-N 1 0 265.397 2.903 40 0 CFABRO [NH3+]CCc1c2cc(F)ccc2[nH]c1-c1ccccn1 ZINC000006732121 170236041 /nfs/dbraw/zinc/23/60/41/170236041.db2.gz UJTFAWBUMXGEOU-UHFFFAOYSA-N 1 0 255.296 2.870 40 0 CFABRO Cc1ccc(C)c(NC(=S)NC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000009876143 170388240 /nfs/dbraw/zinc/38/82/40/170388240.db2.gz GDCFZJUDLBRQIH-AWEZNQCLSA-N 1 0 291.464 2.932 40 0 CFABRO COc1ccc(OCc2cccc(C(N)=[NH2+])c2)cc1 ZINC000019431739 170797567 /nfs/dbraw/zinc/79/75/67/170797567.db2.gz PPEQKNAVJLXHDH-UHFFFAOYSA-N 1 0 256.305 2.558 40 0 CFABRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1c(F)cccc1F ZINC000019575052 170827764 /nfs/dbraw/zinc/82/77/64/170827764.db2.gz YCTGNUODUMIMEP-VXGBXAGGSA-N 1 0 266.335 2.633 40 0 CFABRO Cc1ccc(C(C)C)c(OCCCN2CC[NH2+]CC2)c1 ZINC000020121486 171001051 /nfs/dbraw/zinc/00/10/51/171001051.db2.gz KXXMMDALHSVPRJ-UHFFFAOYSA-N 1 0 276.424 2.793 40 0 CFABRO [NH3+]Cc1ccc(NC(=O)CCc2ccccc2)cc1 ZINC000020224342 171086584 /nfs/dbraw/zinc/08/65/84/171086584.db2.gz CYAJMHQLYFWWAZ-UHFFFAOYSA-N 1 0 254.333 2.717 40 0 CFABRO Cc1ccnc(Nc2cc([C@@H]3CCC[NH2+]C3)nc(C)n2)c1 ZINC000665887192 414468998 /nfs/dbraw/zinc/46/89/98/414468998.db2.gz RFOBNRSPMIYYIS-CYBMUJFWSA-N 1 0 283.379 2.699 40 0 CFABRO CN(C)[C@@H](C[NH3+])c1ccc(OCc2ccccc2)cc1 ZINC000038809112 174155952 /nfs/dbraw/zinc/15/59/52/174155952.db2.gz YIVRIGOWKLXVHX-KRWDZBQOSA-N 1 0 270.376 2.827 40 0 CFABRO CC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038832230 174157230 /nfs/dbraw/zinc/15/72/30/174157230.db2.gz KZLDTOGBBKPWKT-GOEBONIOSA-N 1 0 274.408 2.813 40 0 CFABRO CCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000038832139 174157246 /nfs/dbraw/zinc/15/72/46/174157246.db2.gz XPTGMZYOINEEDB-ZDUSSCGKSA-N 1 0 280.799 2.688 40 0 CFABRO Clc1nc2ccccc2nc1NC[C@H]1CCC[NH2+]C1 ZINC000040434389 174261075 /nfs/dbraw/zinc/26/10/75/174261075.db2.gz WWVJFVJVQQBPFY-JTQLQIEISA-N 1 0 276.771 2.695 40 0 CFABRO CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCC[NH+](C)C ZINC000044904894 175274883 /nfs/dbraw/zinc/27/48/83/175274883.db2.gz NDYCXCULJLEMPC-INIZCTEOSA-N 1 0 292.423 2.529 40 0 CFABRO Cc1ccc(C(=O)NCC[NH+]2CCCCC2)c(C)c1 ZINC000046855137 175399712 /nfs/dbraw/zinc/39/97/12/175399712.db2.gz CGVZBQYASJYHAC-UHFFFAOYSA-N 1 0 260.381 2.519 40 0 CFABRO Cc1ccc(C)c(C(=O)NCC[NH+]2CCCCC2)c1 ZINC000046855215 175399745 /nfs/dbraw/zinc/39/97/45/175399745.db2.gz ASISNOHJVAQQNC-UHFFFAOYSA-N 1 0 260.381 2.519 40 0 CFABRO CC(C)[NH2+]C1(Cc2cc(-c3ccc(F)cc3)on2)COC1 ZINC000072321919 176369270 /nfs/dbraw/zinc/36/92/70/176369270.db2.gz AYIDMBXZTLWJCT-UHFFFAOYSA-N 1 0 290.338 2.790 40 0 biogenic,in-vitro CFABRO c1cn(-c2nccnc2[C@H]2CCC[N@@H+](C3CCCC3)C2)cn1 ZINC000072350472 176373923 /nfs/dbraw/zinc/37/39/23/176373923.db2.gz GZECJIYXSBKEFK-AWEZNQCLSA-N 1 0 297.406 2.784 40 0 CFABRO COc1ccccc1-c1cnc([C@@H]2CCC[N@H+](C)C2)cn1 ZINC000072360684 176377024 /nfs/dbraw/zinc/37/70/24/176377024.db2.gz PKZKEICJWWMWKH-CYBMUJFWSA-N 1 0 283.375 2.961 40 0 CFABRO CC(C)[N@@H+]1CCC[C@H](c2cnc(Nc3ncccn3)cn2)C1 ZINC000072361659 176377379 /nfs/dbraw/zinc/37/73/79/176377379.db2.gz JFDSTESDHLTCAZ-ZDUSSCGKSA-N 1 0 298.394 2.598 40 0 CFABRO CC(C)[N@@H+]1CCC[C@@H](c2cnc(Nc3ncccn3)cn2)C1 ZINC000072361660 176377679 /nfs/dbraw/zinc/37/76/79/176377679.db2.gz JFDSTESDHLTCAZ-CYBMUJFWSA-N 1 0 298.394 2.598 40 0 CFABRO c1ccc(CC2CC[NH+](Cc3ccncc3)CC2)nc1 ZINC000072363807 176378082 /nfs/dbraw/zinc/37/80/82/176378082.db2.gz FCDCQESIDIHBOF-UHFFFAOYSA-N 1 0 267.376 2.931 40 0 CFABRO Cc1ccc([C@H]2CCC[N@@H+](Cc3cnn(C)c3)C2)nc1 ZINC000072364263 176378868 /nfs/dbraw/zinc/37/88/68/176378868.db2.gz PESKQNCYWFWMCT-HNNXBMFYSA-N 1 0 270.380 2.503 40 0 CFABRO COc1ccccc1-c1cc([C@H]2CCC[NH2+]C2)nc(C)n1 ZINC000072365115 176379995 /nfs/dbraw/zinc/37/99/95/176379995.db2.gz YXARLVICGKQVSR-ZDUSSCGKSA-N 1 0 283.375 2.928 40 0 CFABRO COc1ccc(Cc2cc([C@H]3CCC[NH2+]C3)nc(C)n2)cc1 ZINC000072365022 176380226 /nfs/dbraw/zinc/38/02/26/176380226.db2.gz SQQPIIUTWNYSAV-HNNXBMFYSA-N 1 0 297.402 2.851 40 0 CFABRO c1cc(C[N@@H+]2CCC[C@H](c3ccncc3)C2)ccn1 ZINC000072367929 176382178 /nfs/dbraw/zinc/38/21/78/176382178.db2.gz YIPRVTYOJGXJTI-INIZCTEOSA-N 1 0 253.349 2.856 40 0 CFABRO c1cncc(C[N@@H+]2CCC[C@@H](c3ccncc3)C2)c1 ZINC000072367963 176382345 /nfs/dbraw/zinc/38/23/45/176382345.db2.gz UJISCIFCYZQGBE-MRXNPFEDSA-N 1 0 253.349 2.856 40 0 CFABRO Cc1ccc(C[N@@H+]2CCC[C@@H](c3cncc(C)n3)C2)cn1 ZINC000072369411 176384086 /nfs/dbraw/zinc/38/40/86/176384086.db2.gz KEZXDQMAYCFLMB-MRXNPFEDSA-N 1 0 282.391 2.868 40 0 CFABRO Cc1cccnc1Nc1cccc([C@H]2CCC[NH2+]2)n1 ZINC000072376491 176385239 /nfs/dbraw/zinc/38/52/39/176385239.db2.gz BDOLSXKLGPYYBY-GFCCVEGCSA-N 1 0 254.337 2.953 40 0 CFABRO Cc1ccc(Nc2nccc([C@@H]3CCC[N@@H+](C)C3)n2)nc1 ZINC000072377374 176385894 /nfs/dbraw/zinc/38/58/94/176385894.db2.gz LJUGXJNLBITZRS-CYBMUJFWSA-N 1 0 283.379 2.733 40 0 CFABRO Fc1ccc(-c2cc(C[C@@H]3CCC[NH2+]C3)ncn2)cc1 ZINC000072384545 176388711 /nfs/dbraw/zinc/38/87/11/176388711.db2.gz ZCXCZHAFQPEQEU-LBPRGKRZSA-N 1 0 271.339 2.825 40 0 CFABRO C[N@@H+]1CCC[C@@H](c2ccc(NCC(F)F)cn2)C1 ZINC000072383422 176388942 /nfs/dbraw/zinc/38/89/42/176388942.db2.gz IAXGPXJCHMJSQL-SNVBAGLBSA-N 1 0 255.312 2.568 40 0 CFABRO c1ccc(C[N@H+]2CCC[C@H](Cc3cccnc3)C2)nc1 ZINC000072385072 176389404 /nfs/dbraw/zinc/38/94/04/176389404.db2.gz XNUPQOPYEVOEFH-MRXNPFEDSA-N 1 0 267.376 2.931 40 0 CFABRO c1ccc(C[N@H+]2CCC[C@@H](Cc3cccnc3)C2)nc1 ZINC000072385073 176389565 /nfs/dbraw/zinc/38/95/65/176389565.db2.gz XNUPQOPYEVOEFH-INIZCTEOSA-N 1 0 267.376 2.931 40 0 CFABRO Fc1ccc(CNc2cnc([C@H]3CCC[NH2+]3)cn2)cc1 ZINC000072386530 176391459 /nfs/dbraw/zinc/39/14/59/176391459.db2.gz CEINFGBBEZELPO-CYBMUJFWSA-N 1 0 272.327 2.652 40 0 CFABRO Fc1ccc(-c2cc(C[NH+]3CCCC3)c3nnnn3c2)cc1 ZINC000072392327 176394521 /nfs/dbraw/zinc/39/45/21/176394521.db2.gz FLFGAWFUUBUZNO-UHFFFAOYSA-N 1 0 297.337 2.526 40 0 CFABRO CCCCCC[NH2+]Cc1cnc(NC(C)C)nc1 ZINC000062717617 262302346 /nfs/dbraw/zinc/30/23/46/262302346.db2.gz GXDZMBFMRPOMCX-UHFFFAOYSA-N 1 0 250.390 2.967 40 0 CFABRO CC(C)Nc1ncc(C[NH2+]CCc2ccc(F)cc2)cn1 ZINC000062717623 262302466 /nfs/dbraw/zinc/30/24/66/262302466.db2.gz KXLQBXFBTPIJJI-UHFFFAOYSA-N 1 0 288.370 2.768 40 0 CFABRO CCCCCC[NH2+]Cc1cnc(N2CCCC2)nc1 ZINC000062717803 262303046 /nfs/dbraw/zinc/30/30/46/262303046.db2.gz KECAHLODNFCRON-UHFFFAOYSA-N 1 0 262.401 2.747 40 0 CFABRO 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ZINC000096074255 185087912 /nfs/dbraw/zinc/08/79/12/185087912.db2.gz YTYVLAMSFQEHAA-HNNXBMFYSA-N 1 0 287.407 2.527 40 0 CFABRO Cn1cc(C[N@@H+]2CC[C@@]3(C[C@H](c4ccccc4)CO3)C2)cn1 ZINC000096072151 185088795 /nfs/dbraw/zinc/08/87/95/185088795.db2.gz NISGUEIHBYIOBH-ZWKOTPCHSA-N 1 0 297.402 2.569 40 0 CFABRO COC[C@H]1CC2(CO1)CC[NH+](CCc1ccccc1)CC2 ZINC000096105793 185098374 /nfs/dbraw/zinc/09/83/74/185098374.db2.gz IUYQIRWWOHTPQU-QGZVFWFLSA-N 1 0 289.419 2.747 40 0 CFABRO Cc1cc(N2Cc3ccccc3C[C@@H]2C)nc(NC(C)C)[nH+]1 ZINC000328966671 136377438 /nfs/dbraw/zinc/37/74/38/136377438.db2.gz CNSHTBKUMDKDHT-AWEZNQCLSA-N 1 0 296.418 2.978 40 0 CFABRO Cc1nnc2n1[C@H]1C[N@@H+](CC3CCCCC3)C[C@H]1CC2 ZINC000019288360 282365600 /nfs/dbraw/zinc/36/56/00/282365600.db2.gz IKCHVKAIYUJMEP-CABCVRRESA-N 1 0 274.412 2.586 40 0 CFABRO CCC(CC)NC(=O)c1cnc([C@H]2CCCC[NH2+]2)nc1C ZINC000019766770 346242480 /nfs/dbraw/zinc/24/24/80/346242480.db2.gz FKIVLZMMYLMLCZ-CQSZACIVSA-N 1 0 290.411 2.518 40 0 CFABRO COC(=O)[C@@](C)(c1ccccc1)[NH+]1CCC(C)CC1 ZINC000085393503 179048676 /nfs/dbraw/zinc/04/86/76/179048676.db2.gz XQFVYNHHRYMGIW-MRXNPFEDSA-N 1 0 261.365 2.807 40 0 CFABRO CC[NH2+][C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1 ZINC000100177499 185707110 /nfs/dbraw/zinc/70/71/10/185707110.db2.gz QQQFIZSDSWBYDH-GASCZTMLSA-N 1 0 276.380 2.834 40 0 CFABRO COCC[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000053400154 346545594 /nfs/dbraw/zinc/54/55/94/346545594.db2.gz MWQZZVGKDNDBNS-AWEZNQCLSA-N 1 0 277.364 2.631 40 0 CFABRO CCNc1ncc(C[NH2+]CCc2c[nH]c3ccccc23)cn1 ZINC000062717549 346690385 /nfs/dbraw/zinc/69/03/85/346690385.db2.gz LASRZSIQHROQOL-UHFFFAOYSA-N 1 0 295.390 2.722 40 0 CFABRO COc1cc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc(OC)c1OC ZINC000096311716 347701453 /nfs/dbraw/zinc/70/14/53/347701453.db2.gz JDTRJWMZHYLZIA-VGPLMAKISA-N 1 0 277.364 2.710 40 0 CFABRO Cn1c2ccccc2nc1C[C@@H](CC[NH3+])C(F)(F)F ZINC000382141734 348528695 /nfs/dbraw/zinc/52/86/95/348528695.db2.gz CVLXMRYTWTYCCG-SECBINFHSA-N 1 0 271.286 2.643 40 0 CFABRO FC[C@H]1C[NH2+]C[C@@H]1c1cc(Br)cs1 ZINC000409423117 348600502 /nfs/dbraw/zinc/60/05/02/348600502.db2.gz OWBLPHWJHMUKFF-XPUUQOCRSA-N 1 0 264.163 2.783 40 0 CFABRO CC(C)C[NH2+][C@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000585288701 348738646 /nfs/dbraw/zinc/73/86/46/348738646.db2.gz IADQFVPCDJNVEO-ARFHVFGLSA-N 1 0 263.381 2.593 40 0 CFABRO COc1cccc2c1OC1(CC[NH2+]CC1)[C@@H]1CCCO[C@@H]21 ZINC000585263551 348738916 /nfs/dbraw/zinc/73/89/16/348738916.db2.gz HWEGARMSQVYKEN-HIFRSBDPSA-N 1 0 289.375 2.678 40 0 CFABRO CCOC[C@H]1CC[N@H+](C)C2(CN(Cc3ccc(C)o3)C2)C1 ZINC000585103461 348734139 /nfs/dbraw/zinc/73/41/39/348734139.db2.gz XCMFPJIQDFLVMD-HNNXBMFYSA-N 1 0 292.423 2.521 40 0 CFABRO C[N@@H+]1CC[C@]12CCCN(C(=O)c1cc(Cl)ccc1F)C2 ZINC000585101822 348734175 /nfs/dbraw/zinc/73/41/75/348734175.db2.gz HNEQBEYCVDYJAB-HNNXBMFYSA-N 1 0 296.773 2.789 40 0 CFABRO C[NH+](C)C1CC2(C1)CCN(C(=O)c1ccccc1)CC2 ZINC000585102756 348734320 /nfs/dbraw/zinc/73/43/20/348734320.db2.gz DOOFKISLNUHHBB-UHFFFAOYSA-N 1 0 272.392 2.633 40 0 CFABRO O=C(N1CCC2(CC([NH+]3CCCC3)C2)CC1)C1(F)CCC1 ZINC000585101506 348734545 /nfs/dbraw/zinc/73/45/45/348734545.db2.gz GUEPWOAULIJNKR-UHFFFAOYSA-N 1 0 294.414 2.746 40 0 CFABRO O=C(OCc1ccccc1)N1CCC[C@]2(CCC[NH2+]2)CC1 ZINC000091303274 180129626 /nfs/dbraw/zinc/12/96/26/180129626.db2.gz JHEKXJBJPKHWHN-QGZVFWFLSA-N 1 0 288.391 2.931 40 0 CFABRO C[C@H](NC(=O)[C@@H]1CCCC[NH2+]1)C12CC3CC(CC(C3)C1)C2 ZINC000019806841 299205975 /nfs/dbraw/zinc/20/59/75/299205975.db2.gz YBIMVCRJKAICAR-HANOVZDXSA-N 1 0 290.451 2.850 40 0 CFABRO CCN(C(=O)OC(C)(C)C)[C@@H]1CCCC[C@@H]1[NH2+]C ZINC000079437615 284193365 /nfs/dbraw/zinc/19/33/65/284193365.db2.gz PCMJKANNIJUKKE-NWDGAFQWSA-N 1 0 256.390 2.774 40 0 CFABRO CCCCNc1[nH][nH+]c(NCCCC)c2ncnc1-2 ZINC000001601375 371686753 /nfs/dbraw/zinc/68/67/53/371686753.db2.gz YTLHJRSAUCFWPQ-UHFFFAOYSA-N 1 0 262.361 2.777 40 0 CFABRO CC[N@H+](CCO)[C@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000001666011 371694229 /nfs/dbraw/zinc/69/42/29/371694229.db2.gz MYDYCGXRWBPVSR-QZTJIDSGSA-N 1 0 285.387 2.776 40 0 CFABRO C[NH2+]C[C@H]1COC(c2ccccc2)(c2ccccc2)O1 ZINC000001671119 371694874 /nfs/dbraw/zinc/69/48/74/371694874.db2.gz BHLPBEHXCUEMOP-INIZCTEOSA-N 1 0 269.344 2.523 40 0 CFABRO CC[NH+](CC)CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000001671424 371695714 /nfs/dbraw/zinc/69/57/14/371695714.db2.gz IGDZLIWIPXNFPC-UHFFFAOYSA-N 1 0 254.761 2.929 40 0 CFABRO CC[NH+](CC)CCOC(=O)c1ccc(N)c2ccccc12 ZINC000001673510 371695765 /nfs/dbraw/zinc/69/57/65/371695765.db2.gz ZSYWYFNJKDJHKS-UHFFFAOYSA-N 1 0 286.375 2.921 40 0 CFABRO CC(C)[NH+](CCSc1ncnc2[nH]cnc21)C(C)C ZINC000001721161 371701785 /nfs/dbraw/zinc/70/17/85/371701785.db2.gz XOKQRKYYBDYYHN-UHFFFAOYSA-N 1 0 279.413 2.564 40 0 CFABRO O[C@H](C[NH2+][C@@H]1CCc2ccccc21)COc1ccccc1 ZINC000001718124 371702113 /nfs/dbraw/zinc/70/21/13/371702113.db2.gz MXUUOMBREIUEQT-CRAIPNDOSA-N 1 0 283.371 2.703 40 0 CFABRO CC[C@@H](C)[NH2+]C[C@H](O)COc1ccccc1C(C)C ZINC000002694331 371746573 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Cc1ccccc1C(=O)NC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000004170676 371839152 /nfs/dbraw/zinc/83/91/52/371839152.db2.gz BSPTUJWADWOYRC-NVXWUHKLSA-N 1 0 286.419 2.989 40 0 CFABRO O=C(CCc1ccccc1)NCCC[NH+]1CCCCC1 ZINC000010277139 371904476 /nfs/dbraw/zinc/90/44/76/371904476.db2.gz PXTUMQGCFZDDDN-UHFFFAOYSA-N 1 0 274.408 2.611 40 0 CFABRO O=C(CSCc1ccccc1)NCCC[NH+]1CCCC1 ZINC000013676290 372039348 /nfs/dbraw/zinc/03/93/48/372039348.db2.gz RRZFRSNVJGQBDL-UHFFFAOYSA-N 1 0 292.448 2.522 40 0 CFABRO O=C(NCCC[NH+]1CCCCCC1)c1ccccc1F ZINC000013672535 372039850 /nfs/dbraw/zinc/03/98/50/372039850.db2.gz CMBUTMUNEMSNNS-UHFFFAOYSA-N 1 0 278.371 2.822 40 0 CFABRO O[C@@H]1CCC[N@H+](Cc2c3cccnc3[nH]c2-c2ccco2)C1 ZINC000019345215 372156440 /nfs/dbraw/zinc/15/64/40/372156440.db2.gz KREMQPAXYZWGNZ-GFCCVEGCSA-N 1 0 297.358 2.780 40 0 CFABRO c1ccc(CN2CC[NH+]([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)cc1 ZINC000019359690 372156599 /nfs/dbraw/zinc/15/65/99/372156599.db2.gz NFMXUROKUTYOGX-RCCFBDPRSA-N 1 0 270.420 2.993 40 0 CFABRO OCC[C@H]1CCCC[N@@H+]1Cc1ccc2ccccc2n1 ZINC000019376330 372158388 /nfs/dbraw/zinc/15/83/88/372158388.db2.gz QSSJZSUBDVVDEH-MRXNPFEDSA-N 1 0 270.376 2.972 40 0 CFABRO C[C@@H]1CCC[N@H+](Cc2ccnc(-c3ccncc3)n2)C1 ZINC000019496574 372168670 /nfs/dbraw/zinc/16/86/70/372168670.db2.gz YSOQIJBAYDAWOY-CYBMUJFWSA-N 1 0 268.364 2.771 40 0 CFABRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCCc1ccccc1 ZINC000019575704 372176188 /nfs/dbraw/zinc/17/61/88/372176188.db2.gz JGUVTYVSQLFMCM-DOTOQJQBSA-N 1 0 258.409 2.788 40 0 CFABRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc(F)ccc1F ZINC000019575076 372176781 /nfs/dbraw/zinc/17/67/81/372176781.db2.gz DOUVFOWPBNBIAS-BXUZGUMPSA-N 1 0 266.335 2.633 40 0 CFABRO C[C@@H](NC(=O)C1C[NH+](C2CCCCC2)C1)c1ccccn1 ZINC000019747531 372184103 /nfs/dbraw/zinc/18/41/03/372184103.db2.gz XXPTXWRZQCCNLN-CYBMUJFWSA-N 1 0 287.407 2.523 40 0 CFABRO CC(C)COc1ccccc1C[NH2+]C[C@H]1CCCO1 ZINC000032113242 372429421 /nfs/dbraw/zinc/42/94/21/372429421.db2.gz BETPWKCOUJVJEL-OAHLLOKOSA-N 1 0 263.381 2.990 40 0 CFABRO COc1cc(C[NH2+]C[C@H]2CCCO2)ccc1OCC(C)C ZINC000032156546 372434285 /nfs/dbraw/zinc/43/42/85/372434285.db2.gz PNGCBQOVOLXFDZ-OAHLLOKOSA-N 1 0 293.407 2.999 40 0 CFABRO CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]([NH3+])C(C)C ZINC000037808706 372719251 /nfs/dbraw/zinc/71/92/51/372719251.db2.gz NGRJYVPGQHAPAC-ZDUSSCGKSA-N 1 0 268.788 2.672 40 0 CFABRO NC(=[NH2+])SCc1ccc(Br)cc1F ZINC000041466591 372841152 /nfs/dbraw/zinc/84/11/52/372841152.db2.gz WXZWWYKIWKCVRE-UHFFFAOYSA-N 1 0 263.135 2.715 40 0 CFABRO C[C@H](C[NH2+]CCc1ccc(F)cc1)C(=O)OC(C)(C)C ZINC000047219123 373084258 /nfs/dbraw/zinc/08/42/58/373084258.db2.gz IZLVAJMHLNCLQN-GFCCVEGCSA-N 1 0 281.371 2.936 40 0 CFABRO COc1ccccc1C[NH2+]C[C@@H](C)C(=O)OC(C)(C)C ZINC000047219117 373085142 /nfs/dbraw/zinc/08/51/42/373085142.db2.gz XDRIGUFYNGHEEQ-GFCCVEGCSA-N 1 0 279.380 2.763 40 0 CFABRO C[C@H]1CCC[N@H+](CCCNC(=O)Cc2ccccc2F)C1 ZINC000046967378 373072842 /nfs/dbraw/zinc/07/28/42/373072842.db2.gz MAEYZJDNOZYXKL-AWEZNQCLSA-N 1 0 292.398 2.606 40 0 CFABRO Cc1nn(C)cc1C[N@@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000057605199 373602315 /nfs/dbraw/zinc/60/23/15/373602315.db2.gz XDSBBFCWIABRKY-SFHVURJKSA-N 1 0 299.418 2.910 40 0 CFABRO Cc1ccc(C[NH2+]CCNc2nc(C)cc(C)n2)cc1 ZINC000062717844 373763553 /nfs/dbraw/zinc/76/35/53/373763553.db2.gz FJCRIXKGXXXBJW-UHFFFAOYSA-N 1 0 270.380 2.604 40 0 CFABRO Cn1nc(C2CCCCC2)cc1NC(=O)[C@H]([NH3+])C1CCC1 ZINC000333876585 205794638 /nfs/dbraw/zinc/79/46/38/205794638.db2.gz VKRKOFIUUWIAKA-OAHLLOKOSA-N 1 0 290.411 2.534 40 0 CFABRO Cc1ccc(C)c([C@H](C)NC(=O)C2CC[NH+](C)CC2)c1 ZINC000072812992 374289016 /nfs/dbraw/zinc/28/90/16/374289016.db2.gz XXPLZRNSWDQDGQ-AWEZNQCLSA-N 1 0 274.408 2.822 40 0 CFABRO C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2Cl)C1 ZINC000073152935 374326399 /nfs/dbraw/zinc/32/63/99/374326399.db2.gz VBBVYEKKKDLULD-JTQLQIEISA-N 1 0 252.745 2.620 40 0 CFABRO O=C(OCc1ccccc1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000073632961 374360624 /nfs/dbraw/zinc/36/06/24/374360624.db2.gz OSZLLPOULCKUCI-QGZVFWFLSA-N 1 0 296.370 2.970 40 0 CFABRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2cccc(F)c2)C1 ZINC000083552697 374752923 /nfs/dbraw/zinc/75/29/23/374752923.db2.gz KXNBOTFAXPBDBA-CQSZACIVSA-N 1 0 294.370 2.925 40 0 CFABRO C[N@@H+]1CCC[C@@H]1C1=CCCN(Cc2ccccc2)C1 ZINC000095097613 375415964 /nfs/dbraw/zinc/41/59/64/375415964.db2.gz BGINDFUNNUXUQT-QGZVFWFLSA-N 1 0 256.393 2.913 40 0 CFABRO COC1CC2(C1)CC[NH+](Cc1c(C)noc1C)CC2 ZINC000096159325 375472045 /nfs/dbraw/zinc/47/20/45/375472045.db2.gz LHMWBXDIYZLAEX-UHFFFAOYSA-N 1 0 264.369 2.682 40 0 CFABRO Cc1cccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3Cc2ccoc2)n1 ZINC000096184738 375475883 /nfs/dbraw/zinc/47/58/83/375475883.db2.gz OSYLPGAYQITIDT-MSOLQXFVSA-N 1 0 297.402 2.832 40 0 CFABRO COC[C@@H]1Cn2cncc2C[N@H+](Cc2ccc(C)s2)C1 ZINC000096207204 375477296 /nfs/dbraw/zinc/47/72/96/375477296.db2.gz QSCPFSUMJGTWEZ-ZDUSSCGKSA-N 1 0 291.420 2.531 40 0 CFABRO O=C1C[C@@H](c2ccccc2)C2(CC[NH+](CC3CC3)CC2)N1 ZINC000096199625 375477314 /nfs/dbraw/zinc/47/73/14/375477314.db2.gz GFAYCZCMZYJHMZ-INIZCTEOSA-N 1 0 284.403 2.535 40 0 CFABRO O=C(C1CCC1)N1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC000096227898 375479211 /nfs/dbraw/zinc/47/92/11/375479211.db2.gz BODVHFMNVWSDIE-UHFFFAOYSA-N 1 0 276.424 2.654 40 0 CFABRO C[NH+]1CCC2(CCCN(C(=O)CC3CCCC3)C2)CC1 ZINC000096217440 375479234 /nfs/dbraw/zinc/47/92/34/375479234.db2.gz KUZIUDFOHNOXKQ-UHFFFAOYSA-N 1 0 278.440 2.901 40 0 CFABRO Fc1ccccc1OC[C@H]1CO[C@@H]2C[N@@H+](C3CCC3)C[C@H]12 ZINC000096216003 375479266 /nfs/dbraw/zinc/47/92/66/375479266.db2.gz VDJSBZCHQGGJBN-DXCKQFNASA-N 1 0 291.366 2.704 40 0 CFABRO CCO[C@@H]1COC2(C1)CC[NH+](Cc1cccc(F)c1)CC2 ZINC000096220605 375479489 /nfs/dbraw/zinc/47/94/89/375479489.db2.gz XGRMODUKDWRDOL-INIZCTEOSA-N 1 0 293.382 2.986 40 0 CFABRO C[NH+]1CCC2(C=C(C(=O)NCC3CC3)c3ccccc32)CC1 ZINC000096241602 375481016 /nfs/dbraw/zinc/48/10/16/375481016.db2.gz QMLUXNKSWYCPPU-UHFFFAOYSA-N 1 0 296.414 2.573 40 0 CFABRO Cc1ccc(C[N@H+]2CC[C@@]3(C2)c2ccccc2N(C)C3=O)o1 ZINC000096244803 375481027 /nfs/dbraw/zinc/48/10/27/375481027.db2.gz PRIJEEJFLAIHRS-GOSISDBHSA-N 1 0 296.370 2.708 40 0 CFABRO Cc1ccc2nc(C3CC[NH+](CC(C)C)CC3)nn2c1 ZINC000096260699 375482244 /nfs/dbraw/zinc/48/22/44/375482244.db2.gz LRBCGTBKHLINGM-UHFFFAOYSA-N 1 0 272.396 2.873 40 0 CFABRO CC(C)[NH+]1CCC2(CC1)CN(C)C(=O)C[C@H]2C(F)(F)F ZINC000096261794 375483028 /nfs/dbraw/zinc/48/30/28/375483028.db2.gz IIVVZMAEVCHGOR-LLVKDONJSA-N 1 0 292.345 2.518 40 0 CFABRO c1ccc(N[C@@H]2C[N@H+](C3CCC3)C[C@@H]3CCCO[C@H]23)nc1 ZINC000097953514 375588463 /nfs/dbraw/zinc/58/84/63/375588463.db2.gz GGLUJOIBLTVCGW-LXZKKBNFSA-N 1 0 287.407 2.525 40 0 CFABRO CCCn1cc(C[NH2+]CCCOC(C)C)c(C)n1 ZINC000256050877 190002947 /nfs/dbraw/zinc/00/29/47/190002947.db2.gz GVKMEMAICIDGRU-UHFFFAOYSA-N 1 0 253.390 2.506 40 0 CFABRO Fc1ccc(C[NH2+]Cc2cnn(CC(F)F)c2)cc1 ZINC000256050198 190002976 /nfs/dbraw/zinc/00/29/76/190002976.db2.gz DDAHXKBZIHPLGI-UHFFFAOYSA-N 1 0 269.270 2.577 40 0 CFABRO Fc1cccc(C[NH2+]Cc2ccnn2C(F)F)c1 ZINC000256050382 190003386 /nfs/dbraw/zinc/00/33/86/190003386.db2.gz DUYMGPZIRMAYBD-UHFFFAOYSA-N 1 0 255.243 2.707 40 0 CFABRO Cc1c(C[NH2+]Cc2cc(C(C)C)nn2C)cnn1C(C)C ZINC000256052566 190004191 /nfs/dbraw/zinc/00/41/91/190004191.db2.gz NVSMKUCBJUVWNC-UHFFFAOYSA-N 1 0 289.427 2.919 40 0 CFABRO Cc1cc(Oc2ccccc2C)nc([C@H]2CC[NH2+]C2)n1 ZINC000257197880 190009974 /nfs/dbraw/zinc/00/99/74/190009974.db2.gz LZVJDLNFPOCBNR-ZDUSSCGKSA-N 1 0 269.348 2.963 40 0 CFABRO c1ccc(C[C@@H]2CCC[N@@H+](CC3CCOCC3)C2)nc1 ZINC000257206546 190011389 /nfs/dbraw/zinc/01/13/89/190011389.db2.gz BDXQVQFPYBTZPR-INIZCTEOSA-N 1 0 274.408 2.763 40 0 CFABRO O[C@H]1CC[N@H+](Cc2cc3ccccc3o2)C[C@@]12CCCO2 ZINC000257211508 190012687 /nfs/dbraw/zinc/01/26/87/190012687.db2.gz BZCSGXCKAGDUGA-IRXDYDNUSA-N 1 0 287.359 2.549 40 0 CFABRO Cc1cc(-c2cc[nH]n2)nc([C@@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000257226964 190015521 /nfs/dbraw/zinc/01/55/21/190015521.db2.gz FNAIKZYVQNADBL-CYBMUJFWSA-N 1 0 285.395 2.763 40 0 CFABRO Cc1n[nH]cc1-c1nccnc1CC1CC[NH+](C(C)C)CC1 ZINC000257228418 190016045 /nfs/dbraw/zinc/01/60/45/190016045.db2.gz FTUBEDDNIUPREX-UHFFFAOYSA-N 1 0 299.422 2.838 40 0 CFABRO CN(C)c1cc([C@H]2CCC[N@@H+]2Cc2ccccn2)ccn1 ZINC000257228392 190016090 /nfs/dbraw/zinc/01/60/90/190016090.db2.gz FTQDOWDIQZDZJM-MRXNPFEDSA-N 1 0 282.391 2.880 40 0 CFABRO Cc1nc(NC2CCCCC2)cc([C@H]2CCC[NH2+]2)n1 ZINC000257233654 190016705 /nfs/dbraw/zinc/01/67/05/190016705.db2.gz GQDKFBWNIRWGOL-CYBMUJFWSA-N 1 0 260.385 2.954 40 0 CFABRO CCn1nccc1-c1ccc(CC2CC[NH2+]CC2)cn1 ZINC000257235128 190017119 /nfs/dbraw/zinc/01/71/19/190017119.db2.gz GWPAANPLYZWAOL-UHFFFAOYSA-N 1 0 270.380 2.507 40 0 CFABRO CC(C)n1cc(-c2cnc(C[C@@H]3CCC[N@H+](C)C3)cn2)cn1 ZINC000257222310 190014410 /nfs/dbraw/zinc/01/44/10/190014410.db2.gz DSUUNAUCCZWGHI-AWEZNQCLSA-N 1 0 299.422 2.805 40 0 CFABRO Cc1c[nH]c([C@H]2CC[N@H+](Cc3ccccc3F)C2)n1 ZINC000257225060 190015140 /nfs/dbraw/zinc/01/51/40/190015140.db2.gz FEQBNLSJSLWKMQ-ZDUSSCGKSA-N 1 0 259.328 2.847 40 0 CFABRO CCCn1nccc1-c1ncccc1C[C@@H]1CC[NH2+]C1 ZINC000257253394 190020561 /nfs/dbraw/zinc/02/05/61/190020561.db2.gz JYTKMBRQDHQCGQ-ZDUSSCGKSA-N 1 0 270.380 2.507 40 0 CFABRO CCCn1nccc1-c1cc(C)nc([C@@H]2CCC[NH2+]C2)n1 ZINC000257252792 190020942 /nfs/dbraw/zinc/02/09/42/190020942.db2.gz JWEBPZREENCGIY-CYBMUJFWSA-N 1 0 285.395 2.526 40 0 CFABRO CC(C)n1nccc1CN1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000257237367 190017732 /nfs/dbraw/zinc/01/77/32/190017732.db2.gz HGCXXQGOYKARBT-QGZVFWFLSA-N 1 0 284.407 2.611 40 0 CFABRO CCCn1nccc1-c1cc(C)nc([C@@H]2CCCC[NH2+]2)n1 ZINC000257241174 190018889 /nfs/dbraw/zinc/01/88/89/190018889.db2.gz HWXMXUDGUVNCJE-ZDUSSCGKSA-N 1 0 285.395 2.873 40 0 CFABRO CC(C)[NH+]1CCC(Cc2cncc(-c3cncn3C)n2)CC1 ZINC000257251780 190019758 /nfs/dbraw/zinc/01/97/58/190019758.db2.gz JSEDROZYUDHDHW-UHFFFAOYSA-N 1 0 299.422 2.540 40 0 CFABRO CCCCc1ncc(C[N@@H+]2CC[C@@H](c3nc(C)c[nH]3)C2)[nH]1 ZINC000257252082 190020218 /nfs/dbraw/zinc/02/02/18/190020218.db2.gz JTMMAZWQWSKAQM-CYBMUJFWSA-N 1 0 287.411 2.773 40 0 CFABRO Cc1cc(-c2cnc([C@H]3CCC[N@@H+](C(C)C)C3)cn2)n[nH]1 ZINC000257266711 190023599 /nfs/dbraw/zinc/02/35/99/190023599.db2.gz MEDKNPCCUAQHCA-ZDUSSCGKSA-N 1 0 285.395 2.763 40 0 CFABRO CNc1cc([C@H]2CCC[N@H+](Cc3cccnc3)C2)ccn1 ZINC000257272184 190023624 /nfs/dbraw/zinc/02/36/24/190023624.db2.gz NBIVUYDFPQCYJW-INIZCTEOSA-N 1 0 282.391 2.898 40 0 CFABRO Cc1c[nH]c(-c2cc(C[C@H]3CCC[N@@H+](C(C)C)C3)ncn2)n1 ZINC000257280532 190025701 /nfs/dbraw/zinc/02/57/01/190025701.db2.gz OLGBVMNORJKLLI-CQSZACIVSA-N 1 0 299.422 2.838 40 0 CFABRO c1cc(C[C@H]2CCC[N@H+](Cc3ccccc3)C2)n[nH]1 ZINC000257287766 190027261 /nfs/dbraw/zinc/02/72/61/190027261.db2.gz PRKIFHLSEWDWTJ-OAHLLOKOSA-N 1 0 255.365 2.864 40 0 CFABRO CCCn1nccc1-c1cc([C@@H]2CCC[NH2+]C2)ccn1 ZINC000257291531 190027534 /nfs/dbraw/zinc/02/75/34/190027534.db2.gz QHJOUGHYGCEAJG-CQSZACIVSA-N 1 0 270.380 2.822 40 0 CFABRO c1ncc(C[N@H+]2CCC[C@@H](Cc3ccccn3)C2)s1 ZINC000257306992 190031462 /nfs/dbraw/zinc/03/14/62/190031462.db2.gz SWUVDBVJVRDCBA-ZDUSSCGKSA-N 1 0 273.405 2.993 40 0 CFABRO CCn1nccc1-c1cc(C2CC[NH+](C)CC2)ccn1 ZINC000257300890 190028933 /nfs/dbraw/zinc/02/89/33/190028933.db2.gz RWBOVLICVQEJIC-UHFFFAOYSA-N 1 0 270.380 2.774 40 0 CFABRO Cc1nn(C)c(C)c1C[N@@H+]1CCN(C)[C@@H](c2ccccc2)C1 ZINC000257297969 190029900 /nfs/dbraw/zinc/02/99/00/190029900.db2.gz RJOHCVKBIQDJTJ-GOSISDBHSA-N 1 0 298.434 2.526 40 0 CFABRO Cc1cnc(C2(C)CC[NH+](C3CCN(C)CC3)CC2)s1 ZINC000257331273 190035768 /nfs/dbraw/zinc/03/57/68/190035768.db2.gz XSCJBAJPCHTXJM-UHFFFAOYSA-N 1 0 293.480 2.899 40 0 CFABRO O[C@@H](C[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F)C(F)(F)F ZINC000124289906 377034988 /nfs/dbraw/zinc/03/49/88/377034988.db2.gz JEJCURJKGQZYBR-RNJXMRFFSA-N 1 0 279.224 2.620 40 0 CFABRO COc1cc(N2CCC3(CC2)CC[NH+](C)CC3)ccc1N ZINC000306145870 382452623 /nfs/dbraw/zinc/45/26/23/382452623.db2.gz UHRVNTWMSOLZCG-UHFFFAOYSA-N 1 0 289.423 2.590 40 0 CFABRO Cc1ccc(-c2ccc3nnc([C@@H]4CCCC[NH2+]4)n3n2)cc1 ZINC000217562947 382786950 /nfs/dbraw/zinc/78/69/50/382786950.db2.gz MSFFFYJKTDBRJS-HNNXBMFYSA-N 1 0 293.374 2.914 40 0 CFABRO COc1cc(C=O)ccc1OCCCC[NH+]1CCCC1 ZINC000217796909 382788059 /nfs/dbraw/zinc/78/80/59/382788059.db2.gz JCADYFZHCROGKK-UHFFFAOYSA-N 1 0 277.364 2.763 40 0 CFABRO CCOc1cccc2c(NCCC[NH2+]C)cc(C)nc12 ZINC000222690456 382803503 /nfs/dbraw/zinc/80/35/03/382803503.db2.gz XDNBFRAWHOHPID-UHFFFAOYSA-N 1 0 273.380 2.963 40 0 CFABRO CN1C[C@H]([NH3+])[C@@H](c2ccc(OCc3ccccc3)cc2)C1 ZINC000225606939 382818978 /nfs/dbraw/zinc/81/89/78/382818978.db2.gz JIEQVHZTOMPODJ-MSOLQXFVSA-N 1 0 282.387 2.622 40 0 CFABRO CC(C)[N@H+]1Cc2cccn2C[C@H](OCc2cccnc2)C1 ZINC000248005552 383206527 /nfs/dbraw/zinc/20/65/27/383206527.db2.gz PKADCLNMPYTTFH-KRWDZBQOSA-N 1 0 285.391 2.693 40 0 CFABRO C[C@]1(C(F)(F)F)C[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000253380213 383453660 /nfs/dbraw/zinc/45/36/60/383453660.db2.gz GDPKXXOYAFTTGT-STQMWFEESA-N 1 0 273.298 2.679 40 0 CFABRO CC[NH2+][C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1 ZINC000252517762 383416898 /nfs/dbraw/zinc/41/68/98/383416898.db2.gz QQQFIZSDSWBYDH-SHTZXODSSA-N 1 0 276.380 2.834 40 0 CFABRO C[N@H+](Cc1cccnc1)[C@@H]1CCCN(c2ccccn2)C1 ZINC000257200584 383493559 /nfs/dbraw/zinc/49/35/59/383493559.db2.gz ADXNZWQAFNHYNW-MRXNPFEDSA-N 1 0 282.391 2.577 40 0 CFABRO [NH3+][C@H](CC1CCCCC1)C(=O)N[C@@H]1C[C@H]1c1ccccc1 ZINC000261746742 383551953 /nfs/dbraw/zinc/55/19/53/383551953.db2.gz SSNWCEZBVVDBRS-GVDBMIGSSA-N 1 0 286.419 2.956 40 0 CFABRO Fc1ccc(N2CC[NH2+][C@H]3CCCC[C@@H]32)cc1F ZINC000225714378 256700278 /nfs/dbraw/zinc/70/02/78/256700278.db2.gz ZFYNMLCZUGFDGS-KBPBESRZSA-N 1 0 252.308 2.686 40 0 CFABRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCOCC2)nc1 ZINC000072216181 393644988 /nfs/dbraw/zinc/64/49/88/393644988.db2.gz JWYMRMPQLBZNJU-INIZCTEOSA-N 1 0 289.423 2.855 40 0 CFABRO Fc1ccc(C[N@@H+]2CCC[C@H](c3cnccn3)C2)cc1 ZINC000072363724 393650391 /nfs/dbraw/zinc/65/03/91/393650391.db2.gz AHXVBWUIIAMNCK-AWEZNQCLSA-N 1 0 271.339 2.995 40 0 CFABRO CC(C)[N@H+](CCO)C[C@@H]1CCCCN1Cc1ccccc1 ZINC000079394009 393718459 /nfs/dbraw/zinc/71/84/59/393718459.db2.gz CTDPVZTYXGLOQM-SFHVURJKSA-N 1 0 290.451 2.744 40 0 CFABRO CC1CCN([C@@H](C[NH3+])c2cncc(Br)c2)CC1 ZINC000096511150 393835710 /nfs/dbraw/zinc/83/57/10/393835710.db2.gz CPJSKASEMCDTCG-ZDUSSCGKSA-N 1 0 298.228 2.576 40 0 CFABRO [NH3+][C@H](c1ccccc1)c1ccnc(Br)c1 ZINC000098181680 393842732 /nfs/dbraw/zinc/84/27/32/393842732.db2.gz UCNTZLPVZOLGNW-GFCCVEGCSA-N 1 0 263.138 2.892 40 0 CFABRO CN1C(=O)CC[C@]12CCC[N@H+](Cc1cccc(F)c1)CC2 ZINC000585100221 395099902 /nfs/dbraw/zinc/09/99/02/395099902.db2.gz IBBJLTQOXFDWFS-KRWDZBQOSA-N 1 0 290.382 2.803 40 0 CFABRO CCC(CC)C[N@@H+]1CCC[C@@]2(CN(C(C)C)C2=O)C1 ZINC000585099271 395100192 /nfs/dbraw/zinc/10/01/92/395100192.db2.gz ACWZTYLRAFHHDA-INIZCTEOSA-N 1 0 266.429 2.755 40 0 CFABRO COc1ccc(Cl)cc1-c1noc([C@H]2CCC[NH2+]2)n1 ZINC000072209119 397590516 /nfs/dbraw/zinc/59/05/16/397590516.db2.gz XBAPPTOUJYCSBH-SNVBAGLBSA-N 1 0 279.727 2.823 40 0 CFABRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]([NH3+])c1ccccc1 ZINC000072208916 397590556 /nfs/dbraw/zinc/59/05/56/397590556.db2.gz SQWVCBMYWHDLCU-CMPLNLGQSA-N 1 0 250.342 2.600 40 0 CFABRO C[C@H](NC(=O)OC(C)(C)C)[C@H]([NH3+])c1ccccc1 ZINC000072208914 397590575 /nfs/dbraw/zinc/59/05/75/397590575.db2.gz SQWVCBMYWHDLCU-JQWIXIFHSA-N 1 0 250.342 2.600 40 0 CFABRO COc1ccc(Cl)cc1-c1noc([C@@H]2CCC[NH2+]2)n1 ZINC000072209118 397590653 /nfs/dbraw/zinc/59/06/53/397590653.db2.gz XBAPPTOUJYCSBH-JTQLQIEISA-N 1 0 279.727 2.823 40 0 CFABRO CSc1nn(CCC2CC[NH2+]CC2)c(=S)s1 ZINC000005919206 170155338 /nfs/dbraw/zinc/15/53/38/170155338.db2.gz WDRCKYCVLVNYOJ-UHFFFAOYSA-N 1 0 275.468 2.786 40 0 CFABRO CC1CC[NH+](C[C@@H](O)COc2ccccc2Cl)CC1 ZINC000006308215 170189700 /nfs/dbraw/zinc/18/97/00/170189700.db2.gz AMIYIGFMENZNOQ-CYBMUJFWSA-N 1 0 283.799 2.812 40 0 CFABRO O=Cc1c(=O)[nH]c2ccccc2c1NCC[NH+]1CCCCC1 ZINC000006681856 170225887 /nfs/dbraw/zinc/22/58/87/170225887.db2.gz LJTCRSOBGDUNLG-UHFFFAOYSA-N 1 0 299.374 2.651 40 0 CFABRO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000008406962 170335250 /nfs/dbraw/zinc/33/52/50/170335250.db2.gz RNEQQIJSHKHNLC-KRWDZBQOSA-N 1 0 298.361 2.830 40 0 CFABRO COc1cc(C=O)ccc1OCC[N@@H+]1CCCC[C@H]1C ZINC000009237626 170367965 /nfs/dbraw/zinc/36/79/65/170367965.db2.gz BVCFZEKIVNKCMA-CYBMUJFWSA-N 1 0 277.364 2.761 40 0 CFABRO COc1cccc(C=O)c1OCC[N@@H+]1CCCC[C@H]1C ZINC000009261349 170369261 /nfs/dbraw/zinc/36/92/61/170369261.db2.gz XIWOLSYHNAJMDG-CYBMUJFWSA-N 1 0 277.364 2.761 40 0 CFABRO Clc1cccc(-c2nnc(C3CC[NH2+]CC3)o2)c1 ZINC000019780357 170861792 /nfs/dbraw/zinc/86/17/92/170861792.db2.gz DGYOLSRKMQMLOU-UHFFFAOYSA-N 1 0 263.728 2.857 40 0 CFABRO [NH3+]Cc1ccc(NC(=O)c2ccc(F)cc2F)cc1 ZINC000021955770 171341276 /nfs/dbraw/zinc/34/12/76/171341276.db2.gz OBUXUCVWEOZXIN-UHFFFAOYSA-N 1 0 262.259 2.676 40 0 CFABRO CCc1ccc(NC(=O)COc2ccc(C[NH3+])cc2)cc1 ZINC000022178352 171371639 /nfs/dbraw/zinc/37/16/39/171371639.db2.gz MBVQAQUXYGBGEH-UHFFFAOYSA-N 1 0 284.359 2.725 40 0 CFABRO Cc1nc2cc(-c3cccc(F)c3)nn2c(NCC[NH3+])c1C ZINC000035314982 172122901 /nfs/dbraw/zinc/12/29/01/172122901.db2.gz YDNKLUHFJUPKEV-UHFFFAOYSA-N 1 0 299.353 2.523 40 0 CFABRO C[NH2+][C@H](CO)c1ccc(OCc2ccccc2)cc1 ZINC000038121268 174128329 /nfs/dbraw/zinc/12/83/29/174128329.db2.gz VROGAWZEUHSRCU-MRXNPFEDSA-N 1 0 257.333 2.518 40 0 CFABRO Clc1nccc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000038579679 174147524 /nfs/dbraw/zinc/14/75/24/174147524.db2.gz PCPRHTBVUIMFTD-CYBMUJFWSA-N 1 0 288.782 2.816 40 0 CFABRO O=C([C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCCC1 ZINC000038832662 174157145 /nfs/dbraw/zinc/15/71/45/174157145.db2.gz YYSNZHMVXQDNNU-INIZCTEOSA-N 1 0 272.392 2.521 40 0 CFABRO Brc1ccc(OCC[NH+]2CCCCC2)nc1 ZINC000042389947 174706352 /nfs/dbraw/zinc/70/63/52/174706352.db2.gz OAUWSGPSNVEATK-UHFFFAOYSA-N 1 0 285.185 2.709 40 0 CFABRO C[NH+](C)CCOc1ccc(NC(=O)C(C)(C)C)cc1 ZINC000046722086 175398448 /nfs/dbraw/zinc/39/84/48/175398448.db2.gz NTGUGINPVIMAHK-UHFFFAOYSA-N 1 0 264.369 2.612 40 0 CFABRO C[NH+]1CCC(O)(c2ccc(Cl)c(Cl)c2)CC1 ZINC000053146763 175543217 /nfs/dbraw/zinc/54/32/17/175543217.db2.gz MHFYJIRKWCTGPC-UHFFFAOYSA-N 1 0 260.164 2.907 40 0 CFABRO C[C@H]1CN(Cc2ccc(Cl)c(Cl)c2)CC[NH2+]1 ZINC000071585036 176210311 /nfs/dbraw/zinc/21/03/11/176210311.db2.gz CVGOCRPUJIBFGL-VIFPVBQESA-N 1 0 259.180 2.787 40 0 CFABRO C[C@@H]1CN(Cc2cc(Cl)ccc2Cl)CC[NH2+]1 ZINC000072203565 176341758 /nfs/dbraw/zinc/34/17/58/176341758.db2.gz KKQOOHOCAZGGLB-SECBINFHSA-N 1 0 259.180 2.787 40 0 CFABRO Fc1cc(-c2noc([C@H]3CCC[NH2+]C3)n2)ccc1Cl ZINC000072226852 176343481 /nfs/dbraw/zinc/34/34/81/176343481.db2.gz NGMIWLLDFSTKIG-VIFPVBQESA-N 1 0 281.718 2.996 40 0 CFABRO COCC[N@@H+]1CCC[C@@H]1c1ccnc(-c2ccccc2)n1 ZINC000072355796 176375175 /nfs/dbraw/zinc/37/51/75/176375175.db2.gz KVPMACSBIQTAFT-MRXNPFEDSA-N 1 0 283.375 2.927 40 0 CFABRO COc1cccc(-c2cnc([C@@H]3CCC[N@H+](C)C3)cn2)c1 ZINC000072360687 176377169 /nfs/dbraw/zinc/37/71/69/176377169.db2.gz VTXOTHKUBAMTHS-CQSZACIVSA-N 1 0 283.375 2.961 40 0 CFABRO CC(C)[NH+]1CCC(c2nccnc2Nc2ncccn2)CC1 ZINC000072363468 176378537 /nfs/dbraw/zinc/37/85/37/176378537.db2.gz RLAZYLFLGKVWPV-UHFFFAOYSA-N 1 0 298.394 2.598 40 0 CFABRO Cc1cc(NCc2ccccn2)nc([C@@H]2CCC[N@@H+](C)C2)n1 ZINC000072364717 176379476 /nfs/dbraw/zinc/37/94/76/176379476.db2.gz DDEZYYRSGIVHJX-CQSZACIVSA-N 1 0 297.406 2.601 40 0 CFABRO C[N@@H+]1CCC[C@H](Cc2cnc(-c3ccc(CO)cc3)cn2)C1 ZINC000072365262 176380608 /nfs/dbraw/zinc/38/06/08/176380608.db2.gz GTQXTCIHWSGOOJ-OAHLLOKOSA-N 1 0 297.402 2.520 40 0 CFABRO Cc1cnc(Nc2nccnc2[C@@H]2CCC[N@@H+](C)C2)s1 ZINC000072365545 176380811 /nfs/dbraw/zinc/38/08/11/176380811.db2.gz XPNKSKMQIZYVPZ-LLVKDONJSA-N 1 0 289.408 2.794 40 0 CFABRO c1ccc(CCNc2ncccc2CC[C@H]2CCC[NH2+]2)nc1 ZINC000072366324 176381153 /nfs/dbraw/zinc/38/11/53/176381153.db2.gz HRCCNCWLIFABBE-MRXNPFEDSA-N 1 0 296.418 2.816 40 0 CFABRO Cc1cccnc1Nc1cccc([C@@H]2CCC[NH2+]2)n1 ZINC000072376490 176385325 /nfs/dbraw/zinc/38/53/25/176385325.db2.gz BDOLSXKLGPYYBY-LBPRGKRZSA-N 1 0 254.337 2.953 40 0 CFABRO Fc1ccccc1Cc1cnc([C@@H]2CCC[NH2+]C2)cn1 ZINC000072386500 176391509 /nfs/dbraw/zinc/39/15/09/176391509.db2.gz JNFVUEUAZYNDBC-CYBMUJFWSA-N 1 0 271.339 2.674 40 0 CFABRO CC(C)Nc1ncc(C[NH2+]Cc2ccccc2)cn1 ZINC000062717595 262300234 /nfs/dbraw/zinc/30/02/34/262300234.db2.gz AGVULDXDYXDDCO-UHFFFAOYSA-N 1 0 256.353 2.587 40 0 CFABRO Cc1cc(C)nc(NCCC[NH2+]Cc2ccsc2)n1 ZINC000062717895 262302106 /nfs/dbraw/zinc/30/21/06/262302106.db2.gz VQRMOJFYRSUOKF-UHFFFAOYSA-N 1 0 276.409 2.747 40 0 CFABRO CCCNc1ncc(C[NH2+]Cc2ccc(F)cc2)cn1 ZINC000062717698 262302640 /nfs/dbraw/zinc/30/26/40/262302640.db2.gz CGSGANWMQZCXHY-UHFFFAOYSA-N 1 0 274.343 2.727 40 0 CFABRO Clc1ccc2c(N3CC[NH2+]CC3)ccnc2c1Cl ZINC000068136458 274882123 /nfs/dbraw/zinc/88/21/23/274882123.db2.gz JQPKNYGDRHOJRZ-UHFFFAOYSA-N 1 0 282.174 2.951 40 0 CFABRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC000083552563 275520325 /nfs/dbraw/zinc/52/03/25/275520325.db2.gz AOGFCANIWBCDTA-CQSZACIVSA-N 1 0 294.370 2.925 40 0 CFABRO CC[C@H](C[NH+]1CCCC1)n1cncc1-c1cn(C)nc1C ZINC000019719431 287847331 /nfs/dbraw/zinc/84/73/31/287847331.db2.gz YUQNMNZQESRYLL-CQSZACIVSA-N 1 0 287.411 2.639 40 0 CFABRO CCOc1ccc2c(c1)OC1(CC[NH+](CC)CC1)CC2=O ZINC000225820417 276377801 /nfs/dbraw/zinc/37/78/01/276377801.db2.gz CBNUKNNVKVYWET-UHFFFAOYSA-N 1 0 289.375 2.905 40 0 CFABRO CCOc1ncnc2c1CC[N@H+](Cc1ccsc1)CC2 ZINC000096058757 276386365 /nfs/dbraw/zinc/38/63/65/276386365.db2.gz LCPHDLIZLMWVAC-UHFFFAOYSA-N 1 0 289.404 2.538 40 0 CFABRO CC(C)(C)[NH2+]C[C@@H](O)COC1C2CC3CC(C2)CC1C3 ZINC000005258392 277173057 /nfs/dbraw/zinc/17/30/57/277173057.db2.gz GINNCMYCNXCCKK-BAPHQMLMSA-N 1 0 281.440 2.577 40 0 CFABRO C[N@@H+]1CCc2cc3c(c4c2[C@@H]1CC41CCC(=O)CC1)OCO3 ZINC000004610555 277187463 /nfs/dbraw/zinc/18/74/63/277187463.db2.gz PNRVHNMGNLQXPN-ZDUSSCGKSA-N 1 0 299.370 2.729 40 0 biogenic,in-vitro CFABRO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000038979051 277204349 /nfs/dbraw/zinc/20/43/49/277204349.db2.gz OWXMMRQDSKAHST-LBPRGKRZSA-N 1 0 268.401 2.918 40 0 CFABRO CCN(C(=O)OC(C)(C)C)[C@H]1CCCC[C@H]1[NH2+]C ZINC000079437623 279004833 /nfs/dbraw/zinc/00/48/33/279004833.db2.gz PCMJKANNIJUKKE-NEPJUHHUSA-N 1 0 256.390 2.774 40 0 CFABRO CC(=O)Oc1ccc(C[C@@H]([NH3+])c2ccccc2)cc1 ZINC000225749852 519759120 /nfs/dbraw/zinc/75/91/20/519759120.db2.gz JILLVXYQHQALRF-MRXNPFEDSA-N 1 0 255.317 2.854 40 0 CFABRO CCO[C@@H](C[NH2+]C)c1cccc(Br)c1 ZINC000050482037 520313073 /nfs/dbraw/zinc/31/30/73/520313073.db2.gz YTWPVCMNWZXZDW-NSHDSACASA-N 1 0 258.159 2.746 40 0 CFABRO COC[N@H+](Cc1ccc(OC)cc1)C[Si](C)(C)C ZINC000197882410 522157331 /nfs/dbraw/zinc/15/73/31/522157331.db2.gz MYMIAGKKDMXTGP-UHFFFAOYSA-N 1 0 267.445 2.979 40 0 CFABRO CC[C@H](C)Nc1nc(NCc2ccco2)cc(C2CC2)[nH+]1 ZINC000329071647 570338086 /nfs/dbraw/zinc/33/80/86/570338086.db2.gz ZSENVGDXQHOIPC-NSHDSACASA-N 1 0 286.379 2.613 40 0 CFABRO CC(C)[C@H]([NH3+])c1nnc(-c2cccc(Cl)c2)[nH]1 ZINC000095534710 185006411 /nfs/dbraw/zinc/00/64/11/185006411.db2.gz JZDVIUPTTQZPLG-JTQLQIEISA-N 1 0 250.733 2.781 40 0 CFABRO [NH3+][C@@H](Cc1ccccc1)c1nnc(-c2cccc(F)c2)[nH]1 ZINC000095534914 185008698 /nfs/dbraw/zinc/00/86/98/185008698.db2.gz HTIVRSIMHUHJOD-AWEZNQCLSA-N 1 0 282.322 2.853 40 0 CFABRO CCN1CCC2(CC[NH+](Cc3ccc(C)s3)CC2)C1=O ZINC000096046740 185071756 /nfs/dbraw/zinc/07/17/56/185071756.db2.gz YPSJXWOXWSSZHR-UHFFFAOYSA-N 1 0 292.448 2.891 40 0 CFABRO COC[C@]12CCCO[C@H]1CC[N@H+](Cc1ccc(F)cc1)C2 ZINC000096056718 185077456 /nfs/dbraw/zinc/07/74/56/185077456.db2.gz SNXMDLDSVAGHFS-DLBZAZTESA-N 1 0 293.382 2.843 40 0 CFABRO O=C1C[C@@H]2[C@H](CC[N@@H+]2Cc2cccnc2)N1c1ccsc1 ZINC000096055733 185076734 /nfs/dbraw/zinc/07/67/34/185076734.db2.gz PXSNPKIOXWHSLK-LSDHHAIUSA-N 1 0 299.399 2.523 40 0 CFABRO CCO[C@H]1C[N@H+](Cc2ccc(C)s2)[C@@H]2CCCO[C@@H]21 ZINC000096057434 185077374 /nfs/dbraw/zinc/07/73/74/185077374.db2.gz XAISABIVFDIVKI-ILXRZTDVSA-N 1 0 281.421 2.825 40 0 CFABRO CC(C)(C)OC(=O)/C=C\c1csc(CC[NH3+])c1 ZINC000071603266 346922295 /nfs/dbraw/zinc/92/22/95/346922295.db2.gz CWLQBIQWUIALLE-PLNGDYQASA-N 1 0 253.367 2.604 40 0 CFABRO CCc1cc(N2Cc3ccccc3C(C)(C)C2)nc(NC)[nH+]1 ZINC000329041387 136377632 /nfs/dbraw/zinc/37/76/32/136377632.db2.gz SJFHVAMXGKTYIA-UHFFFAOYSA-N 1 0 296.418 2.800 40 0 CFABRO C[NH2+]CCCNc1cc(C)nc2c(OC)cccc12 ZINC000222689908 529971620 /nfs/dbraw/zinc/97/16/20/529971620.db2.gz CRSBRMSFBGUADW-UHFFFAOYSA-N 1 0 259.353 2.573 40 0 CFABRO CCCCC(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000006569735 346215127 /nfs/dbraw/zinc/21/51/27/346215127.db2.gz CEMZAZSWBRVDMN-UHFFFAOYSA-N 1 0 275.396 2.567 40 0 CFABRO CC[NH2+][C@@H]1CN(C(=O)CC(C)C)C2(C1)CCCCC2 ZINC000019703800 346241877 /nfs/dbraw/zinc/24/18/77/346241877.db2.gz SPODABILJNKDRU-AWEZNQCLSA-N 1 0 266.429 2.946 40 0 CFABRO O=C1C[C@H]([NH2+]Cc2ccccc2)CN1Cc1ccccc1 ZINC000034419131 346316955 /nfs/dbraw/zinc/31/69/55/346316955.db2.gz KGFPCNVJJUDZEQ-KRWDZBQOSA-N 1 0 280.371 2.577 40 0 CFABRO COC(=O)[C@](C)(c1ccccc1)[NH+]1CCCCCC1 ZINC000085393540 179048329 /nfs/dbraw/zinc/04/83/29/179048329.db2.gz WKTCUUAOTFBDPE-INIZCTEOSA-N 1 0 261.365 2.951 40 0 CFABRO COC(=O)[C@](C)(c1ccccc1)[NH+]1CCC(C)CC1 ZINC000085393498 179048549 /nfs/dbraw/zinc/04/85/49/179048549.db2.gz XQFVYNHHRYMGIW-INIZCTEOSA-N 1 0 261.365 2.807 40 0 CFABRO COCC[NH2+]CCOCc1ccc2ccccc2c1 ZINC000085391296 179048737 /nfs/dbraw/zinc/04/87/37/179048737.db2.gz XTMBTOMMLCBJHO-UHFFFAOYSA-N 1 0 259.349 2.592 40 0 CFABRO c1ccc(C[NH2+]CCCc2nc3ccccc3[nH]2)nc1 ZINC000062718669 346690303 /nfs/dbraw/zinc/69/03/03/346690303.db2.gz DSTYNUQAHDQMOV-UHFFFAOYSA-N 1 0 266.348 2.680 40 0 CFABRO Clc1ccc(C[NH+]2CCC3(COC3)CC2)cc1 ZINC000096051230 282507928 /nfs/dbraw/zinc/50/79/28/282507928.db2.gz CJSKVFPKLIISDI-UHFFFAOYSA-N 1 0 251.757 2.952 40 0 CFABRO CC(C)N(Cc1ccccc1)[C@@H]1CCCC[C@H]1[NH2+]CCO ZINC000101674343 347716010 /nfs/dbraw/zinc/71/60/10/347716010.db2.gz STFFLKBXHRZMAC-QZTJIDSGSA-N 1 0 290.451 2.790 40 0 CFABRO C[C@H]1CCCN([C@H](C[NH3+])c2ccc(F)cc2F)C1 ZINC000108349995 347740423 /nfs/dbraw/zinc/74/04/23/347740423.db2.gz ZERAQKLSEVJDKP-IINYFYTJSA-N 1 0 254.324 2.697 40 0 CFABRO Cc1nc(NCc2ccc(Br)cc2)cc(N)[nH+]1 ZINC000127349329 347841078 /nfs/dbraw/zinc/84/10/78/347841078.db2.gz XQOPRODKIIEEAT-UHFFFAOYSA-N 1 0 293.168 2.742 40 0 CFABRO CC(C)[N@@H+]1CCC[C@@H](Cc2ccc(Cl)nn2)C1 ZINC000259564460 348308694 /nfs/dbraw/zinc/30/86/94/348308694.db2.gz WTPDJVQYOUNOPY-NSHDSACASA-N 1 0 253.777 2.793 40 0 CFABRO [NH3+]CC[C@@H](Cc1nc2ccccc2[nH]1)C(F)(F)F ZINC000385328226 348533671 /nfs/dbraw/zinc/53/36/71/348533671.db2.gz OLRDQICFSDMLBJ-QMMMGPOBSA-N 1 0 257.259 2.633 40 0 CFABRO FC[C@H]1C[NH2+]C[C@H]1c1cc(Br)cs1 ZINC000409423115 348600576 /nfs/dbraw/zinc/60/05/76/348600576.db2.gz OWBLPHWJHMUKFF-POYBYMJQSA-N 1 0 264.163 2.783 40 0 CFABRO CC(C)(C)OC(=O)N(CC1CC1)[C@H]1CCC[C@@H]1[NH3+] ZINC000409440010 348601983 /nfs/dbraw/zinc/60/19/83/348601983.db2.gz JHQAHJBTJCUJQT-RYUDHWBXSA-N 1 0 254.374 2.513 40 0 CFABRO C[C@@H](C(=[NH2+])NO)N(C(=O)OC(C)(C)C)C1CCCC1 ZINC000409440391 348601992 /nfs/dbraw/zinc/60/19/92/348601992.db2.gz KSSUYPKZWAZTLQ-VIFPVBQESA-N 1 0 271.361 2.511 40 0 CFABRO CN(C(=O)OC(C)(C)C)[C@@H](C(=[NH2+])NO)c1cccc(F)c1 ZINC000409442353 348602439 /nfs/dbraw/zinc/60/24/39/348602439.db2.gz UYAXQSFCLJULBL-LLVKDONJSA-N 1 0 297.330 2.690 40 0 CFABRO CO[C@H]1C[N@H+](Cc2c[nH]nc2C)CC[C@@H]1Cc1ccccc1 ZINC000585279428 348738938 /nfs/dbraw/zinc/73/89/38/348738938.db2.gz MDDDGYJCJUQLJH-AEFFLSMTSA-N 1 0 299.418 2.798 40 0 CFABRO CCOC[C@H]1CC[N@H+](C)C2(CN(Cc3cccs3)C2)C1 ZINC000585103308 348734336 /nfs/dbraw/zinc/73/43/36/348734336.db2.gz UKMPVSFHSNBBMM-AWEZNQCLSA-N 1 0 294.464 2.681 40 0 CFABRO c1csc(-c2cc(C[C@@H]3CCC[NH2+]C3)ccn2)n1 ZINC000585179638 348738119 /nfs/dbraw/zinc/73/81/19/348738119.db2.gz WQUPLVGZVTXMAI-LBPRGKRZSA-N 1 0 259.378 2.747 40 0 CFABRO O=C(OCc1ccccc1)N1CCC2(CCCC[NH2+]2)CC1 ZINC000091303272 180129817 /nfs/dbraw/zinc/12/98/17/180129817.db2.gz XPZOSNMGIILVJJ-UHFFFAOYSA-N 1 0 288.391 2.931 40 0 CFABRO CNC(=O)[C@@H]1CCC[C@@]12CC[N@H+](Cc1ccccc1F)C2 ZINC000108535631 186221854 /nfs/dbraw/zinc/22/18/54/186221854.db2.gz CRHJRCCHXPVQGF-YOEHRIQHSA-N 1 0 290.382 2.564 40 0 CFABRO CCCOc1ccc(Cl)cc1-c1noc(CC[NH3+])n1 ZINC000256053603 540072863 /nfs/dbraw/zinc/07/28/63/540072863.db2.gz SBQNIOFXKIDWEX-UHFFFAOYSA-N 1 0 281.743 2.680 40 0 CFABRO CC(C)OC(=O)[C@@H](c1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000204472881 540785088 /nfs/dbraw/zinc/78/50/88/540785088.db2.gz AZVPADMEIMLODT-CABCVRRESA-N 1 0 261.365 2.864 40 0 in-vitro CFABRO C[C@@H]1C[C@H](C(F)(F)F)n2nc(C3CC[NH2+]CC3)cc2N1 ZINC000231303615 540997459 /nfs/dbraw/zinc/99/74/59/540997459.db2.gz AOZLIJCAWRUZCA-LDYMZIIASA-N 1 0 288.317 2.658 40 0 CFABRO C[NH+](C)[C@H]1CCc2[nH]c3c(cc(F)cc3F)c2C1 ZINC000000000312 371507658 /nfs/dbraw/zinc/50/76/58/371507658.db2.gz FXNCRITWFOVSEP-VIFPVBQESA-N 1 0 250.292 2.865 40 0 in-man CFABRO CC(=O)O[C@H]1CC[N@@H+](CCc2ccccc2)[C@H](C)[C@@H]1C ZINC000001080751 371661979 /nfs/dbraw/zinc/66/19/79/371661979.db2.gz YNNDIBSJMPQCKB-VBQJREDUSA-N 1 0 275.392 2.891 40 0 CFABRO C[C@@H](CCC[NH3+])Nc1cc2c(c3cccnc13)OCCO2 ZINC000001568053 371681594 /nfs/dbraw/zinc/68/15/94/371681594.db2.gz XSLIEAUSZIZUDK-NSHDSACASA-N 1 0 287.363 2.545 40 0 CFABRO CC[NH+](CC)CCCNc1cc(OC)cc2nccnc21 ZINC000001593221 371685498 /nfs/dbraw/zinc/68/54/98/371685498.db2.gz RXLGZQKBOPHDAF-UHFFFAOYSA-N 1 0 288.395 2.782 40 0 CFABRO C/C=C/[C@](O)(C(=O)OC1CC[NH+](C)CC1)C1CCCCC1 ZINC000001640730 371690554 /nfs/dbraw/zinc/69/05/54/371690554.db2.gz MGXDQTQGWGFXKM-PLKPZQPFSA-N 1 0 295.423 2.511 40 0 CFABRO C[C@H](O)C[NH2+][C@@H](Cc1ccccc1)c1ccc2c(c1)OCO2 ZINC000001666293 371693736 /nfs/dbraw/zinc/69/37/36/371693736.db2.gz OZMCZZMHGXRKFP-BBRMVZONSA-N 1 0 299.370 2.670 40 0 CFABRO COCC[NH2+][C@@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000001667128 371694003 /nfs/dbraw/zinc/69/40/03/371694003.db2.gz ACUVMRHAWWNSHA-IRXDYDNUSA-N 1 0 271.360 2.697 40 0 CFABRO CC[NH+](CC)CCOc1cc2c(cc1OC)CCC2=O ZINC000001668213 371694122 /nfs/dbraw/zinc/69/41/22/371694122.db2.gz HJSOKCXFCZOGFQ-UHFFFAOYSA-N 1 0 277.364 2.545 40 0 CFABRO CCC[NH2+]CCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000001671703 371695516 /nfs/dbraw/zinc/69/55/16/371695516.db2.gz PRVUMXOAJVLLLA-UHFFFAOYSA-N 1 0 254.761 2.977 40 0 CFABRO C[NH2+][C@@H]([C@@H](C)OC(=O)c1ccc(N)cc1)C1CCCCC1 ZINC000001710500 371700728 /nfs/dbraw/zinc/70/07/28/371700728.db2.gz LHSHUWZYCPAWMO-WBMJQRKESA-N 1 0 290.407 2.982 40 0 CFABRO CC[C@H](C)c1ccccc1OC[C@@H](O)C[NH2+]C(C)C ZINC000002694439 371746292 /nfs/dbraw/zinc/74/62/92/371746292.db2.gz JXVADECHNQDHFV-KBPBESRZSA-N 1 0 265.397 2.938 40 0 CFABRO Cc1ccc(C)c(NC(=O)C[NH+]2CCC(C)CC2)c1 ZINC000003538699 371807420 /nfs/dbraw/zinc/80/74/20/371807420.db2.gz KECKOXVFYIPYLQ-UHFFFAOYSA-N 1 0 260.381 2.974 40 0 CFABRO CC(=O)O[C@@H]1[C@@H]2CCC[C@H]1CC[C@H]2[NH+]1CCCC1 ZINC000004142457 371836282 /nfs/dbraw/zinc/83/62/82/371836282.db2.gz LCESFZPIVFLOLG-YJNKXOJESA-N 1 0 251.370 2.593 40 0 CFABRO CCn1cc(C[NH+]2CCC(O)(c3ccc(C)cc3)CC2)cn1 ZINC000012344246 371953378 /nfs/dbraw/zinc/95/33/78/371953378.db2.gz YOLZEAPQUFMDFJ-UHFFFAOYSA-N 1 0 299.418 2.695 40 0 CFABRO O=Cc1ccc(OC[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1O ZINC000013425087 372025945 /nfs/dbraw/zinc/02/59/45/372025945.db2.gz ZHLARUGYDIKKSN-ZBFHGGJFSA-N 1 0 289.375 2.848 40 0 CFABRO CCSc1cc(OC)c(C[C@H](C)[NH3+])cc1OC ZINC000013641730 372038180 /nfs/dbraw/zinc/03/81/80/372038180.db2.gz MCYCODJKXUJSAT-VIFPVBQESA-N 1 0 255.383 2.706 40 0 in-vitro CFABRO OCC[N@H+](CCc1ccccc1)Cc1cccs1 ZINC000013997385 372056533 /nfs/dbraw/zinc/05/65/33/372056533.db2.gz IHLIFAOCXSALEK-UHFFFAOYSA-N 1 0 261.390 2.785 40 0 CFABRO CC1(C)Cc2nc(-c3cccnc3)ncc2[C@@H]([NH3+])C1 ZINC000019461419 372166102 /nfs/dbraw/zinc/16/61/02/372166102.db2.gz IGFKEKOGXPSIGS-LBPRGKRZSA-N 1 0 254.337 2.511 40 0 CFABRO CCn1nc(C)c(C[N@@H+]2CCC[C@H](c3cnccn3)C2)c1C ZINC000019523831 372174612 /nfs/dbraw/zinc/17/46/12/372174612.db2.gz JPTODEVEJYTLKZ-HNNXBMFYSA-N 1 0 299.422 2.689 40 0 CFABRO COc1ccc(F)c(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000019575732 372175695 /nfs/dbraw/zinc/17/56/95/372175695.db2.gz LOBHCSUIXCUREU-JSGCOSHPSA-N 1 0 278.371 2.503 40 0 CFABRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc(F)cc(F)c1 ZINC000019575718 372176298 /nfs/dbraw/zinc/17/62/98/372176298.db2.gz HMGJVSIRRKXLRA-NHYWBVRUSA-N 1 0 266.335 2.633 40 0 CFABRO C[C@@H](CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)c1ccccc1 ZINC000019575692 372176942 /nfs/dbraw/zinc/17/69/42/372176942.db2.gz DARBCOQPEQLZDT-ZOBUZTSGSA-N 1 0 258.409 2.959 40 0 CFABRO COc1ccc(/C=C/CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000019575030 372176975 /nfs/dbraw/zinc/17/69/75/372176975.db2.gz XKPYGZIQFOIGTK-YEICVZNQSA-N 1 0 286.419 2.877 40 0 CFABRO CCOc1ccc(C[NH2+]CCN(CC)CC)cc1 ZINC000019919154 372210402 /nfs/dbraw/zinc/21/04/02/372210402.db2.gz VMAXOMSOUPYYBG-UHFFFAOYSA-N 1 0 250.386 2.517 40 0 CFABRO CCOc1ccc(C[NH2+]CCN(CC)CC)cc1OC ZINC000020089720 372228968 /nfs/dbraw/zinc/22/89/68/372228968.db2.gz KROGGIMLXDKWQE-UHFFFAOYSA-N 1 0 280.412 2.525 40 0 CFABRO CC(C)(C)OC(=O)NC[C@@H]([NH3+])c1ccc(Cl)cc1 ZINC000019796180 372190824 /nfs/dbraw/zinc/19/08/24/372190824.db2.gz DLXYTYBSFHTRKZ-LLVKDONJSA-N 1 0 270.760 2.865 40 0 CFABRO [NH3+]C[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000019843441 372197538 /nfs/dbraw/zinc/19/75/38/372197538.db2.gz RSEZOEOSDRNJIW-SNVBAGLBSA-N 1 0 256.752 2.650 40 0 CFABRO [NH3+]C[C@H]1Cc2ccccc2CN1Cc1ccccc1 ZINC000022028354 372244835 /nfs/dbraw/zinc/24/48/35/372244835.db2.gz CLSTZLUWCPPWLH-QGZVFWFLSA-N 1 0 252.361 2.572 40 0 CFABRO COc1cc2c(cc1OC)[C@H](c1ccccc1N)[NH2+]CC2 ZINC000027105179 372334912 /nfs/dbraw/zinc/33/49/12/372334912.db2.gz JNIAUZSUTVRQIF-KRWDZBQOSA-N 1 0 284.359 2.521 40 0 CFABRO COc1ccc2c(c1)[C@]13CC[N@H+](C)[C@H](C2)[C@@H]1[C@H](C)CC(=O)C3 ZINC000034347840 372506674 /nfs/dbraw/zinc/50/66/74/372506674.db2.gz FVZCKWRBLLZDHV-GBRSUSRYSA-N 1 0 299.414 2.808 40 0 biogenic,in-vitro CFABRO OCCNc1cc[nH+]c2ccc(C(F)(F)F)cc12 ZINC000036533615 372581024 /nfs/dbraw/zinc/58/10/24/372581024.db2.gz LHOBLSYHNTWLJU-UHFFFAOYSA-N 1 0 256.227 2.658 40 0 CFABRO [NH3+]C[C@@H](c1ccc(Br)cc1)N1CCCCC1 ZINC000038860364 372775309 /nfs/dbraw/zinc/77/53/09/372775309.db2.gz NSRCIPSOSWUQSE-ZDUSSCGKSA-N 1 0 283.213 2.935 40 0 CFABRO C[C@H]1CCC[N@H+](CCCNC(=O)Cc2cccs2)C1 ZINC000046958825 373072038 /nfs/dbraw/zinc/07/20/38/373072038.db2.gz ZUAZZRGWSDQKDO-ZDUSSCGKSA-N 1 0 280.437 2.529 40 0 CFABRO CC(C)C[N@@H+]1CC[C@H](c2nnc(-c3ccco3)o2)C1 ZINC000049169497 373272993 /nfs/dbraw/zinc/27/29/93/373272993.db2.gz PMRJFPGQSPKGJO-NSHDSACASA-N 1 0 261.325 2.775 40 0 biogenic,in-vitro CFABRO [NH3+]C1CCC(Oc2cccc(C(F)(F)F)n2)CC1 ZINC000055143343 373541112 /nfs/dbraw/zinc/54/11/12/373541112.db2.gz QQAFSCDJQDGVKW-UHFFFAOYSA-N 1 0 260.259 2.749 40 0 CFABRO Brc1ccc([C@@H]2CN(C3CC3)CC[NH2+]2)cc1 ZINC000056894793 373574213 /nfs/dbraw/zinc/57/42/13/373574213.db2.gz ANPKZVQZVZJDNP-ZDUSSCGKSA-N 1 0 281.197 2.558 40 0 CFABRO CCOc1cc(C[NH2+]CCOC)ccc1O[C@@H](C)CC ZINC000062731215 373765835 /nfs/dbraw/zinc/76/58/35/373765835.db2.gz RTMLIZHZWZLYNY-ZDUSSCGKSA-N 1 0 281.396 2.999 40 0 CFABRO CC(C)C[NH2+]C1(Cc2cc(-c3ccccc3)on2)COC1 ZINC000067898020 374013531 /nfs/dbraw/zinc/01/35/31/374013531.db2.gz QIXQCYQBFXCXMF-UHFFFAOYSA-N 1 0 286.375 2.899 40 0 biogenic,in-vitro CFABRO C[C@@H]1C[NH2+]CCN1Cc1cc(Cl)ccc1Cl ZINC000072203563 374235733 /nfs/dbraw/zinc/23/57/33/374235733.db2.gz YLHUTYKILDDOAZ-SECBINFHSA-N 1 0 259.180 2.787 40 0 CFABRO CN(C)c1ncc(-c2ccccc2)c([C@@H]2CCC[N@@H+]2C)n1 ZINC000072376606 374245933 /nfs/dbraw/zinc/24/59/33/374245933.db2.gz GJRNZGXYNFUHFR-HNNXBMFYSA-N 1 0 282.391 2.976 40 0 CFABRO C[NH+]1CCC(c2cc(C(F)(F)F)nc3nccn32)CC1 ZINC000072367701 374246229 /nfs/dbraw/zinc/24/62/29/374246229.db2.gz SZIDMVKIEHKXIM-UHFFFAOYSA-N 1 0 284.285 2.557 40 0 CFABRO CN(C)c1cc([C@@H]2CCCN(c3cc[nH+]cc3)C2)ccn1 ZINC000072380925 374249447 /nfs/dbraw/zinc/24/94/47/374249447.db2.gz VHEYDSIKZTZEMH-OAHLLOKOSA-N 1 0 282.391 2.927 40 0 CFABRO CCOc1ccc2ncn(C[NH+]3CCCCC3)c2c1 ZINC000073634254 374360449 /nfs/dbraw/zinc/36/04/49/374360449.db2.gz SAFDTQCOBVQMKB-UHFFFAOYSA-N 1 0 259.353 2.878 40 0 CFABRO COc1ccc(Cl)cc1NC(=O)C1CC[NH+](C)CC1 ZINC000074713359 374435031 /nfs/dbraw/zinc/43/50/31/374435031.db2.gz BDDRQIAHNNAISO-UHFFFAOYSA-N 1 0 282.771 2.629 40 0 CFABRO CCN(Cc1cc(Cl)ccc1Cl)C(=O)[C@H](C)[NH3+] ZINC000079420274 374609862 /nfs/dbraw/zinc/60/98/62/374609862.db2.gz PJQLQYQHGWFXAF-QMMMGPOBSA-N 1 0 275.179 2.689 40 0 CFABRO CC(C)[N@@H+](Cc1ccccc1)C[C@H]1CCCN(CCO)C1 ZINC000079414307 374610652 /nfs/dbraw/zinc/61/06/52/374610652.db2.gz FIQOVIZBRXHEGB-SFHVURJKSA-N 1 0 290.451 2.601 40 0 CFABRO C[C@H](C[NH3+])c1ccc2c(n1)N(C(=O)OC(C)(C)C)CCC2 ZINC000091692661 375058637 /nfs/dbraw/zinc/05/86/37/375058637.db2.gz KIMOBFPUGIGVLQ-LLVKDONJSA-N 1 0 291.395 2.832 40 0 CFABRO COc1c(C)cc(-c2noc([C@@H]3CCC[NH2+]3)n2)cc1C ZINC000095095413 375414456 /nfs/dbraw/zinc/41/44/56/375414456.db2.gz DYNIWNFNWPVEJO-LBPRGKRZSA-N 1 0 273.336 2.787 40 0 CFABRO CCOC[C@H]1CC[C@H]2[C@H](CC[N@@H+]2Cc2cccs2)O1 ZINC000096186633 375475318 /nfs/dbraw/zinc/47/53/18/375475318.db2.gz BFVLFXYFTIMFHL-SNPRPXQTSA-N 1 0 281.421 2.907 40 0 CFABRO C[NH+](C)Cc1cncc2c1CCN(Cc1ccsc1)C2 ZINC000096189446 375476032 /nfs/dbraw/zinc/47/60/32/375476032.db2.gz DSIBYDFSBVGYEB-UHFFFAOYSA-N 1 0 287.432 2.763 40 0 CFABRO Cc1ccc(CN2CC[C@@H]([NH+](C)C)[C@@H]2Cc2cccnc2)o1 ZINC000096200835 375477054 /nfs/dbraw/zinc/47/70/54/375477054.db2.gz XGQXDTMWSITLFF-MSOLQXFVSA-N 1 0 299.418 2.730 40 0 CFABRO Cc1nc(C[N@@H+]2CC[C@H](O)[C@@H]2Cc2ccccc2)cs1 ZINC000096200340 375477538 /nfs/dbraw/zinc/47/75/38/375477538.db2.gz BOSPHYZPMSAPNB-HOTGVXAUSA-N 1 0 288.416 2.629 40 0 CFABRO c1ccc(C[C@H]2C[NH2+]CC[C@@H]2OCc2cccnc2)cc1 ZINC000096216444 375479120 /nfs/dbraw/zinc/47/91/20/375479120.db2.gz HPKRNRRXCPPWLY-ROUUACIJSA-N 1 0 282.387 2.819 40 0 CFABRO CC[N@@H+]1C[C@@H](COC)[C@]2(CCN(Cc3cccs3)C2)C1 ZINC000096220294 375479524 /nfs/dbraw/zinc/47/95/24/375479524.db2.gz QJPZPSHNZKPRCW-GOEBONIOSA-N 1 0 294.464 2.538 40 0 CFABRO c1nc2c(c(C3CC3)n1)CC[N@H+](CC1CCC1)CC2 ZINC000096255121 375481851 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ZINC000256054237 190004920 /nfs/dbraw/zinc/00/49/20/190004920.db2.gz VNNBHZBESXWGDR-UHFFFAOYSA-N 1 0 299.296 2.737 40 0 CFABRO CC(C)n1nc(C2CC2)cc1C[NH2+]C[C@H]1CCCO1 ZINC000256054343 190005372 /nfs/dbraw/zinc/00/53/72/190005372.db2.gz VYBNOXUKJZHJRI-CQSZACIVSA-N 1 0 263.385 2.610 40 0 CFABRO CC(C)Cn1cc(C[NH2+]Cc2cccc(F)c2)cn1 ZINC000256049774 190002336 /nfs/dbraw/zinc/00/23/36/190002336.db2.gz BJTRWTAFMLPPPW-UHFFFAOYSA-N 1 0 261.344 2.968 40 0 CFABRO Cn1cc(C[NH2+]CCc2ccccc2)c(C(F)(F)F)n1 ZINC000256050548 190002859 /nfs/dbraw/zinc/00/28/59/190002859.db2.gz FLARVBGQTFLRDG-UHFFFAOYSA-N 1 0 283.297 2.771 40 0 CFABRO CCCn1nccc1C[NH2+]Cc1cnn(C(C)C)c1C ZINC000256049833 190003255 /nfs/dbraw/zinc/00/32/55/190003255.db2.gz BQZFYDSYPRPNSR-UHFFFAOYSA-N 1 0 275.400 2.669 40 0 CFABRO COc1ccc(C[NH2+]Cc2cnn(CC(C)C)c2)cc1 ZINC000256051741 190003594 /nfs/dbraw/zinc/00/35/94/190003594.db2.gz KJYABNRDLBPRMY-UHFFFAOYSA-N 1 0 273.380 2.838 40 0 CFABRO CCOc1ccc(C[NH2+]Cc2ccnn2CC)cc1 ZINC000256051286 190003897 /nfs/dbraw/zinc/00/38/97/190003897.db2.gz INPCCFZVROXXPB-UHFFFAOYSA-N 1 0 259.353 2.592 40 0 CFABRO CCCn1cc(C[NH2+]Cc2ccc(O)c(OC)c2)c(C)n1 ZINC000256052426 190004564 /nfs/dbraw/zinc/00/45/64/190004564.db2.gz NFSIEDQZCGWOIU-UHFFFAOYSA-N 1 0 289.379 2.606 40 0 CFABRO COCC[N@@H+]1CCC[C@H](Cc2ccnc3ccncc23)CC1 ZINC000257209865 190012376 /nfs/dbraw/zinc/01/23/76/190012376.db2.gz BSFJDKZXBBIELP-HNNXBMFYSA-N 1 0 299.418 2.921 40 0 CFABRO Cc1cc(CC[C@H]2CCC[N@@H+]2Cc2cnc[nH]2)ccn1 ZINC000257211915 190012465 /nfs/dbraw/zinc/01/24/65/190012465.db2.gz CBAZOJOLUUFDCK-MRXNPFEDSA-N 1 0 270.380 2.710 40 0 CFABRO COc1ccc([C@@H]2C[NH2+]CCN2CCC(F)(F)F)cc1 ZINC000257208384 190012581 /nfs/dbraw/zinc/01/25/81/190012581.db2.gz BLYSEEHHULDAFX-ZDUSSCGKSA-N 1 0 288.313 2.594 40 0 CFABRO Cc1ccc(C[C@H]2CCC[N@@H+](Cc3nccn3C)C2)cn1 ZINC000257218140 190013598 /nfs/dbraw/zinc/01/35/98/190013598.db2.gz DBZNJOZJICNKOT-MRXNPFEDSA-N 1 0 284.407 2.578 40 0 CFABRO Nc1nccc([C@@H]2CCCC[N@@H+]2Cc2cccs2)n1 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CCn1cc(C[N@@H+]2CCC[C@H](c3nc(C)c[nH]3)C2)c(C)n1 ZINC000257238786 190017464 /nfs/dbraw/zinc/01/74/64/190017464.db2.gz HMNGQUMLNNJYFP-AWEZNQCLSA-N 1 0 287.411 2.623 40 0 CFABRO c1cncc(CNc2cccc([C@@H]3CCC[NH2+]3)n2)c1 ZINC000257246459 190019175 /nfs/dbraw/zinc/01/91/75/190019175.db2.gz IUFMRWNZFKTJEA-ZDUSSCGKSA-N 1 0 254.337 2.513 40 0 CFABRO CO[C@H]1C[N@H+](Cc2cccc3[nH]ccc32)C[C@@]12CCCO2 ZINC000257265123 190023338 /nfs/dbraw/zinc/02/33/38/190023338.db2.gz LXKHXAUJMDPNPW-IRXDYDNUSA-N 1 0 286.375 2.548 40 0 CFABRO Cc1cc(-c2cccc(CC3CC[NH+](C)CC3)n2)n[nH]1 ZINC000257268608 190023607 /nfs/dbraw/zinc/02/36/07/190023607.db2.gz MMKMDRGNAVBIFF-UHFFFAOYSA-N 1 0 270.380 2.664 40 0 CFABRO Cc1c[nH]c(-c2cc(CC3CC[NH+](C(C)C)CC3)ncn2)n1 ZINC000257269379 190023689 /nfs/dbraw/zinc/02/36/89/190023689.db2.gz MPSKZSYGEGNLHP-UHFFFAOYSA-N 1 0 299.422 2.838 40 0 CFABRO CCC[N@@H+]1CCC[C@@H]([C@H]2c3ccccc3NC2=O)C1 ZINC000107271383 375806656 /nfs/dbraw/zinc/80/66/56/375806656.db2.gz BSSYYHRCZMIBOS-DOMZBBRYSA-N 1 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/nfs/dbraw/zinc/45/22/72/382452272.db2.gz IHTFJBWXSSUCHS-JKSUJKDBSA-N 1 0 288.366 2.525 40 0 CFABRO c1cc2n(n1)[C@H](CCOCC1CC1)C[N@H+](CC1CCC1)C2 ZINC000306126164 382452842 /nfs/dbraw/zinc/45/28/42/382452842.db2.gz DOPKVTGNFQLZFU-QGZVFWFLSA-N 1 0 289.423 2.857 40 0 CFABRO c1csc(C[NH+]2CCC(c3nnc4ncccn43)CC2)c1 ZINC000306140493 382453195 /nfs/dbraw/zinc/45/31/95/382453195.db2.gz UUWZJBKWJBYASM-UHFFFAOYSA-N 1 0 299.403 2.565 40 0 CFABRO Cn1cc(Cc2ccc(C(F)(F)F)cc2)[nH+]c1N ZINC000199550984 382772019 /nfs/dbraw/zinc/77/20/19/382772019.db2.gz TYBGSDYIOVOHED-UHFFFAOYSA-N 1 0 255.243 2.612 40 0 CFABRO O=C1NC[C@@H](C[NH+](Cc2ccccc2)Cc2ccccc2)O1 ZINC000202544471 382772999 /nfs/dbraw/zinc/77/29/99/382772999.db2.gz GIRPMUCDUGOEJF-KRWDZBQOSA-N 1 0 296.370 2.797 40 0 CFABRO Cc1ccnc([C@@H]2CC[N@H+](Cc3ccsc3)C2)n1 ZINC000205693829 382773758 /nfs/dbraw/zinc/77/37/58/382773758.db2.gz WJNNLNMGHIRLCA-CYBMUJFWSA-N 1 0 259.378 2.836 40 0 CFABRO CC(C)(C)OC(=O)NC[C@H]1C[NH2+][C@@H]2CCCC[C@@H]2C1 ZINC000216595349 382784122 /nfs/dbraw/zinc/78/41/22/382784122.db2.gz NEEFKHAZNNIJIV-JHJVBQTASA-N 1 0 268.401 2.679 40 0 CFABRO CCOc1cccc2c(NCCC[NH2+]C)ccnc12 ZINC000222681412 382803350 /nfs/dbraw/zinc/80/33/50/382803350.db2.gz AGSOFRIYRAAPGJ-UHFFFAOYSA-N 1 0 259.353 2.655 40 0 CFABRO COCCC[NH2+]Cc1cccn1Cc1cccc(C)c1 ZINC000223678759 382806137 /nfs/dbraw/zinc/80/61/37/382806137.db2.gz RZMVIOZFIXGVIV-UHFFFAOYSA-N 1 0 272.392 2.971 40 0 CFABRO O=C1[C@@H]2C[N@H+](Cc3cccs3)C[C@H]2CN1c1ccccc1 ZINC000247752358 383195281 /nfs/dbraw/zinc/19/52/81/383195281.db2.gz UDGWCHVTEADHMY-XJKSGUPXSA-N 1 0 298.411 2.843 40 0 CFABRO c1cncc(CO[C@@H]2CSC3(C[NH+](C4CCC4)C3)C2)c1 ZINC000247954836 383201994 /nfs/dbraw/zinc/20/19/94/383201994.db2.gz NPUAEWWBTTXPQA-HNNXBMFYSA-N 1 0 290.432 2.711 40 0 CFABRO c1cncc(CO[C@H]2CSC3(C[NH+](C4CCC4)C3)C2)c1 ZINC000247954838 383202283 /nfs/dbraw/zinc/20/22/83/383202283.db2.gz NPUAEWWBTTXPQA-OAHLLOKOSA-N 1 0 290.432 2.711 40 0 CFABRO CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CC[NH2+]C[C@H]3C[C@H]21 ZINC000257217691 383493522 /nfs/dbraw/zinc/49/35/22/383493522.db2.gz DADVRBYZWQOFFB-MEWXFMAXSA-N 1 0 273.376 2.913 40 0 CFABRO Fc1cc(F)cc(N2CC[NH2+][C@@H]3CCCC[C@@H]32)c1 ZINC000225714059 256699839 /nfs/dbraw/zinc/69/98/39/256699839.db2.gz TZHBYZDJUDYFKG-KGLIPLIRSA-N 1 0 252.308 2.686 40 0 CFABRO CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCC[NH2+]2)cn1 ZINC000072214420 256711599 /nfs/dbraw/zinc/71/15/99/256711599.db2.gz WECDTPYEZOKZPF-LBPRGKRZSA-N 1 0 277.368 2.877 40 0 CFABRO CCOC[C@@H]1CC[C@H]2[C@H](CC[N@@H+]2Cc2cccs2)O1 ZINC000096186044 256815863 /nfs/dbraw/zinc/81/58/63/256815863.db2.gz BFVLFXYFTIMFHL-QEJZJMRPSA-N 1 0 281.421 2.907 40 0 CFABRO COCc1ccc(C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)o1 ZINC000245227799 131084518 /nfs/dbraw/zinc/08/45/18/131084518.db2.gz VNYDKHHKVGBFDB-XJKSGUPXSA-N 1 0 279.380 2.553 40 0 CFABRO CCOc1ccccc1[C@H](C[NH3+])N1CCC[C@@H](C)C1 ZINC000022211914 393487936 /nfs/dbraw/zinc/48/79/36/393487936.db2.gz BIRDXGURJZQORM-HIFRSBDPSA-N 1 0 262.397 2.817 40 0 CFABRO CCOc1ccccc1[C@@H](C[NH3+])N1CCC(C)CC1 ZINC000038827593 393538786 /nfs/dbraw/zinc/53/87/86/393538786.db2.gz MUEVFWSYYQFHSU-OAHLLOKOSA-N 1 0 262.397 2.817 40 0 CFABRO CSc1ncc(C[NH2+]Cc2ccc(C)cc2)cn1 ZINC000062717239 393627157 /nfs/dbraw/zinc/62/71/57/393627157.db2.gz YNFWNPINVQUHJX-UHFFFAOYSA-N 1 0 259.378 2.797 40 0 CFABRO CCNc1ncc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cn1 ZINC000062717514 393627388 /nfs/dbraw/zinc/62/73/88/393627388.db2.gz ARNOMOXTNNURBZ-UHFFFAOYSA-N 1 0 286.423 2.967 40 0 CFABRO C[NH2+][C@@H](c1ccccc1)[C@@H](C)NC(=O)OC(C)(C)C ZINC000072207619 393642355 /nfs/dbraw/zinc/64/23/55/393642355.db2.gz HRJGSVRQCMDHNZ-DGCLKSJQSA-N 1 0 264.369 2.860 40 0 CFABRO CC(C)(C)OC(=O)Nc1ccc([C@H]2CCC[NH2+]2)cn1 ZINC000072214301 393644996 /nfs/dbraw/zinc/64/49/96/393644996.db2.gz YJTNVSGDVBKYGE-LLVKDONJSA-N 1 0 263.341 2.853 40 0 CFABRO Cc1nc(N2CCOCC2)ccc1[C@H]1CCC[N@H+]1C(C)C ZINC000072219625 393646612 /nfs/dbraw/zinc/64/66/12/393646612.db2.gz VCAHMKNAEDZVLX-MRXNPFEDSA-N 1 0 289.423 2.772 40 0 CFABRO CCS(=O)(=O)C[C@@H]([NH3+])c1ccc(-c2ccccc2)cc1 ZINC000081925057 393737889 /nfs/dbraw/zinc/73/78/89/393737889.db2.gz MYHIVYAFEOZZGI-MRXNPFEDSA-N 1 0 289.400 2.788 40 0 CFABRO CC(C)(C)OC(=O)N[C@H]1C[C@H](C(F)(F)F)C[C@H]([NH3+])C1 ZINC000225605825 393768999 /nfs/dbraw/zinc/76/89/99/393768999.db2.gz IGLQMKSPQXOIJS-VGMNWLOBSA-N 1 0 282.306 2.569 40 0 CFABRO CC[C@@H]([C@H]([NH3+])c1ccc(Cl)cc1Cl)S(C)(=O)=O ZINC000096524903 393837722 /nfs/dbraw/zinc/83/77/22/393837722.db2.gz LCYHSDRUEJQHOS-WDEREUQCSA-N 1 0 296.219 2.816 40 0 CFABRO CC[C@@H]1[N@H+](Cc2cc(C)c(C)o2)CCC[C@]12CCC(=O)N2 ZINC000096038498 393814490 /nfs/dbraw/zinc/81/44/90/393814490.db2.gz XQVWPCRXPTWVKJ-RDJZCZTQSA-N 1 0 290.407 2.920 40 0 CFABRO CCS(=O)(=O)[C@H](C)[C@H]([NH3+])c1ccc(Cl)cc1Cl ZINC000096524844 393838392 /nfs/dbraw/zinc/83/83/92/393838392.db2.gz XVOKHOAGONDZMG-HQJQHLMTSA-N 1 0 296.219 2.816 40 0 CFABRO CC[C@@H](C)N1C[C@]2(CCC[N@@H+]([C@@H](C)CC)C2)C1=O ZINC000585099308 395100155 /nfs/dbraw/zinc/10/01/55/395100155.db2.gz CMLCFZXWVNFPCH-GZBFAFLISA-N 1 0 252.402 2.508 40 0 CFABRO CC[C@@H](C)[N@@H+]1CCC[C@]2(CCC(=O)N2CCF)CC1 ZINC000585099806 395100252 /nfs/dbraw/zinc/10/02/52/395100252.db2.gz CCEYTXOJVXLRTB-HIFRSBDPSA-N 1 0 270.392 2.602 40 0 CFABRO CCC(CC)C[N@@H+]1CCC[C@]2(CN(C(C)C)C2=O)C1 ZINC000585099272 395100305 /nfs/dbraw/zinc/10/03/05/395100305.db2.gz ACWZTYLRAFHHDA-MRXNPFEDSA-N 1 0 266.429 2.755 40 0 CFABRO CC(C)[C@@H]([NH3+])c1nocc1C(=O)Nc1ccccc1 ZINC000072208417 397590333 /nfs/dbraw/zinc/59/03/33/397590333.db2.gz LXXRPNRDXOTGLE-GFCCVEGCSA-N 1 0 259.309 2.583 40 0 CFABRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]([NH3+])C(C)(C)C ZINC000072208647 397590497 /nfs/dbraw/zinc/59/04/97/397590497.db2.gz HUNFKADRYMPRPW-GHMZBOCLSA-N 1 0 256.390 2.759 40 0 CFABRO C[N@H+]1CC=C(c2c(N)onc2-c2ccccc2)CC1 ZINC000196234773 397612386 /nfs/dbraw/zinc/61/23/86/397612386.db2.gz MZENEVNEAMHADG-UHFFFAOYSA-N 1 0 255.321 2.643 40 0 CFABRO COc1ccc2c(c1)C[N@H+](C(C)C)CC[C@H]1COC(=O)N21 ZINC000225490850 286398931 /nfs/dbraw/zinc/39/89/31/286398931.db2.gz QCLDLIOIQRZYOM-ZDUSSCGKSA-N 1 0 290.363 2.635 40 0 biogenic,in-vitro CFABRO COc1ccc(C(=O)O[C@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000004785704 170017044 /nfs/dbraw/zinc/01/70/44/170017044.db2.gz DXLIAGZRNHJCQN-JMSVASOKSA-N 1 0 277.364 2.581 40 0 CFABRO O=C(NC1CCCCC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000005152306 170071004 /nfs/dbraw/zinc/07/10/04/170071004.db2.gz TXDZQFLPESVHIZ-UHFFFAOYSA-N 1 0 293.455 2.979 40 0 CFABRO CC[NH+](CC)CCNC(=O)Nc1cccc(Cl)c1 ZINC000006462764 170202935 /nfs/dbraw/zinc/20/29/35/170202935.db2.gz KHLXAFRUFSLWLG-UHFFFAOYSA-N 1 0 269.776 2.803 40 0 CFABRO [NH3+]CCc1c2cc(F)ccc2[nH]c1-c1ccncc1 ZINC000006732132 170235948 /nfs/dbraw/zinc/23/59/48/170235948.db2.gz RZHACSRYJNBVMO-UHFFFAOYSA-N 1 0 255.296 2.870 40 0 CFABRO Cc1ccc(NC(=S)NCCC[NH+](C)C)cc1C ZINC000007526505 170289342 /nfs/dbraw/zinc/28/93/42/170289342.db2.gz ADSGAGZSAWHAMV-UHFFFAOYSA-N 1 0 265.426 2.542 40 0 CFABRO O=C(c1ccccc1C(F)(F)F)C1CC[NH2+]CC1 ZINC000008699549 170346464 /nfs/dbraw/zinc/34/64/64/170346464.db2.gz BPLGBCKXEFRESP-UHFFFAOYSA-N 1 0 257.255 2.888 40 0 CFABRO Cc1ccccc1C[NH+]1CCC(C(=O)NC(C)C)CC1 ZINC000009062865 170362852 /nfs/dbraw/zinc/36/28/52/170362852.db2.gz VIILBXJAGRVICQ-UHFFFAOYSA-N 1 0 274.408 2.732 40 0 CFABRO COC(=O)CC1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000015423819 170665671 /nfs/dbraw/zinc/66/56/71/170665671.db2.gz UVSUZLNRSQQFNL-UHFFFAOYSA-N 1 0 261.365 2.770 40 0 CFABRO C[C@@H]([NH2+]CCc1ccc(O)cc1)C(=O)c1ccc(O)cc1 ZINC000021985145 171345332 /nfs/dbraw/zinc/34/53/32/171345332.db2.gz WNCXDNZVUJLFPD-GFCCVEGCSA-N 1 0 285.343 2.501 40 0 CFABRO [NH3+]CCc1nc(-c2ccc(Cl)c(Cl)c2)no1 ZINC000022119780 171353454 /nfs/dbraw/zinc/35/34/54/171353454.db2.gz HRIMEAGSLCTZQL-UHFFFAOYSA-N 1 0 258.108 2.545 40 0 CFABRO O=C(c1ccc(Cl)cc1)N1CCC[C@]2(CCC[NH2+]C2)C1 ZINC000033426314 171793423 /nfs/dbraw/zinc/79/34/23/171793423.db2.gz SVKUIIAVAWHVQZ-INIZCTEOSA-N 1 0 292.810 2.946 40 0 CFABRO C[C@H]1C[C@H](C)C[NH+](C[C@H](O)COC2CCCCC2)C1 ZINC000035360293 172151801 /nfs/dbraw/zinc/15/18/01/172151801.db2.gz KDIJQKVDTOMHMR-KKUMJFAQSA-N 1 0 269.429 2.675 40 0 CFABRO C[C@H]1C[NH2+]CCN1CCCCOc1cccc(Cl)c1 ZINC000071978853 176307552 /nfs/dbraw/zinc/30/75/52/176307552.db2.gz CHYPSKHXLYRVHX-ZDUSSCGKSA-N 1 0 282.815 2.793 40 0 CFABRO Clc1ccc(Cl)c(CNC[C@H]2CCC[NH2+]2)c1 ZINC000072203578 176341385 /nfs/dbraw/zinc/34/13/85/176341385.db2.gz TWTJMYAVJDBOTF-LLVKDONJSA-N 1 0 259.180 2.835 40 0 CFABRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1c(F)cccc1F ZINC000072324488 176369622 /nfs/dbraw/zinc/36/96/22/176369622.db2.gz YCTGNUODUMIMEP-NWDGAFQWSA-N 1 0 266.335 2.633 40 0 CFABRO Fc1ccccc1-c1nccnc1[C@@H]1CCC[NH2+]C1 ZINC000072356376 176375825 /nfs/dbraw/zinc/37/58/25/176375825.db2.gz QIXLLKSSAVKBMW-LLVKDONJSA-N 1 0 257.312 2.750 40 0 CFABRO Cc1nc(Nc2nccs2)cc([C@H]2CCC[N@H+]2C)n1 ZINC000072360116 176377063 /nfs/dbraw/zinc/37/70/63/176377063.db2.gz HPZBMMGVXLWMBI-LLVKDONJSA-N 1 0 275.381 2.752 40 0 CFABRO C[N@@H+]1CCC[C@@H](Cc2cc(Nc3nccs3)ncn2)C1 ZINC000072361556 176377440 /nfs/dbraw/zinc/37/74/40/176377440.db2.gz BYKBGGAKUXNIEZ-NSHDSACASA-N 1 0 289.408 2.561 40 0 CFABRO c1ccc(CCNc2cnc([C@@H]3CCC[NH2+]C3)cn2)cc1 ZINC000072364923 176380235 /nfs/dbraw/zinc/38/02/35/176380235.db2.gz JPLRKCMNQHTTPH-OAHLLOKOSA-N 1 0 282.391 2.598 40 0 CFABRO Nc1ncc(-c2ccccc2F)c([C@@H]2CCCC[NH2+]2)n1 ZINC000072376715 176384925 /nfs/dbraw/zinc/38/49/25/176384925.db2.gz LATXTCYCTARWDT-ZDUSSCGKSA-N 1 0 272.327 2.680 40 0 CFABRO c1csc([C@@H]2CCC[N@H+](C3CCOCC3)C2)n1 ZINC000072381926 176387460 /nfs/dbraw/zinc/38/74/60/176387460.db2.gz MIDYUSJFBGYAHD-LLVKDONJSA-N 1 0 252.383 2.502 40 0 CFABRO Cc1cccnc1Nc1cc([C@H]2CCC[N@H+]2C)nc(C)n1 ZINC000072382613 176388452 /nfs/dbraw/zinc/38/84/52/176388452.db2.gz KDCZHALSNXKKPH-CQSZACIVSA-N 1 0 283.379 2.999 40 0 CFABRO Fc1ccc(C[NH+]2CCC(c3cnccn3)CC2)cc1 ZINC000072384971 176388550 /nfs/dbraw/zinc/38/85/50/176388550.db2.gz BOKUNAPDFBOXIL-UHFFFAOYSA-N 1 0 271.339 2.995 40 0 CFABRO CC(C)C[N@@H+]1CCC[C@@H]1c1nccnc1Nc1cnccn1 ZINC000072384601 176388637 /nfs/dbraw/zinc/38/86/37/176388637.db2.gz IZOCJYNFFHTEHL-CYBMUJFWSA-N 1 0 298.394 2.803 40 0 CFABRO Fc1ccccc1C[N@@H+]1CCC[C@@H](c2cnccn2)C1 ZINC000072384963 176389008 /nfs/dbraw/zinc/38/90/08/176389008.db2.gz GISZCPCZLGOGTB-CQSZACIVSA-N 1 0 271.339 2.995 40 0 CFABRO Fc1ccccc1C[NH+]1CCC(c2cnccn2)CC1 ZINC000072384968 176389063 /nfs/dbraw/zinc/38/90/63/176389063.db2.gz JCTVFXIWETUOIW-UHFFFAOYSA-N 1 0 271.339 2.995 40 0 CFABRO c1csc(C[C@@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000072385049 176389553 /nfs/dbraw/zinc/38/95/53/176389553.db2.gz VPMKXDBGTNYNMV-ZDUSSCGKSA-N 1 0 273.405 2.993 40 0 CFABRO c1cncc(C[C@H]2CCC[N@@H+](C3CCOCC3)C2)c1 ZINC000072385945 176391137 /nfs/dbraw/zinc/39/11/37/176391137.db2.gz XLBHDBMHFRPABG-OAHLLOKOSA-N 1 0 260.381 2.515 40 0 CFABRO Cc1nc(NC2CCCCC2)cc([C@H]2CCC[NH2+]C2)n1 ZINC000072386443 176391778 /nfs/dbraw/zinc/39/17/78/176391778.db2.gz BJNMNGOOVXZNDK-ZDUSSCGKSA-N 1 0 274.412 2.997 40 0 CFABRO C[N@@H+]1CCC[C@H]1c1ccnc(Nc2ccccn2)c1 ZINC000072386488 176391803 /nfs/dbraw/zinc/39/18/03/176391803.db2.gz GEWFHJHWPBCSHZ-ZDUSSCGKSA-N 1 0 254.337 2.987 40 0 CFABRO S=c1ncc2c([nH]1)CC[N@@H+](Cc1ccccc1)C2 ZINC000072415048 176399834 /nfs/dbraw/zinc/39/98/34/176399834.db2.gz UQPJIBSCYICCQL-UHFFFAOYSA-N 1 0 257.362 2.697 40 0 CFABRO C[N@@H+]1CCC[C@@H](C(=O)NCCSC2CCCCC2)C1 ZINC000078578527 177356247 /nfs/dbraw/zinc/35/62/47/177356247.db2.gz NADSEXWCSVZDFB-CYBMUJFWSA-N 1 0 284.469 2.510 40 0 CFABRO O=C(OCc1ccccc1)N(C1CC1)[C@H]1CCC[NH2+]C1 ZINC000079437896 177491158 /nfs/dbraw/zinc/49/11/58/177491158.db2.gz UMTXEPOPQRZXII-HNNXBMFYSA-N 1 0 274.364 2.540 40 0 CFABRO Fc1ccc(C[NH2+]Cc2cnc(N3CCCC3)nc2)cc1 ZINC000062717807 262303166 /nfs/dbraw/zinc/30/31/66/262303166.db2.gz AXTSWSKGMZYJDG-UHFFFAOYSA-N 1 0 286.354 2.506 40 0 CFABRO COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)cc1)[NH2+]CC2 ZINC000024717725 274102693 /nfs/dbraw/zinc/10/26/93/274102693.db2.gz NKBBUUNAVOMVER-MRXNPFEDSA-N 1 0 299.370 2.839 40 0 biogenic,in-vitro CFABRO O=C(c1ccco1)N1CCCC12CC[NH+](CC1CC1)CC2 ZINC000096049338 275014316 /nfs/dbraw/zinc/01/43/16/275014316.db2.gz IVAYZOSEGBWYCF-UHFFFAOYSA-N 1 0 288.391 2.760 40 0 CFABRO O=C1N(CC2CC2)c2ccccc2[C@@]12CC[N@H+](CC1CC1)C2 ZINC000096100338 275021412 /nfs/dbraw/zinc/02/14/12/275021412.db2.gz CLOHBQFLAQSWHV-IBGZPJMESA-N 1 0 296.414 2.797 40 0 CFABRO c1nc(C[NH+]2CCC3(C[C@H](c4ccccc4)CO3)CC2)c[nH]1 ZINC000096089761 275076938 /nfs/dbraw/zinc/07/69/38/275076938.db2.gz NVITVIHPGSVTCW-INIZCTEOSA-N 1 0 297.402 2.948 40 0 CFABRO CC(C)(C)c1ccc([C@H](O)C2(C[NH3+])CCOCC2)cc1 ZINC000085395728 275536599 /nfs/dbraw/zinc/53/65/99/275536599.db2.gz WVGQBPXVISMIRM-HNNXBMFYSA-N 1 0 277.408 2.773 40 0 CFABRO CC[NH+](CC)CC(=O)Nc1nc2ccc(OC)cc2s1 ZINC000004969073 276095412 /nfs/dbraw/zinc/09/54/12/276095412.db2.gz VGDJUAXKQWKSLB-UHFFFAOYSA-N 1 0 293.392 2.585 40 0 CFABRO C[NH+]1CCC2(CC1)CC(=O)c1cc(Cl)ccc1O2 ZINC000012113655 276889926 /nfs/dbraw/zinc/88/99/26/276889926.db2.gz OQYRQRBZDLLCDH-UHFFFAOYSA-N 1 0 265.740 2.770 40 0 CFABRO CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]3[NH2+]C[C@@H]1C[C@@]23C ZINC000254286914 278420404 /nfs/dbraw/zinc/42/04/04/278420404.db2.gz VXKTZAFQYPVEQY-FUTJPDQTSA-N 1 0 266.385 2.526 40 0 CFABRO CCN(C(=O)OC(C)(C)C)[C@H]1CC[C@H]([NH2+]C)CC1 ZINC000100178440 279004989 /nfs/dbraw/zinc/00/49/89/279004989.db2.gz KZLJSRHVNFIZQB-TXEJJXNPSA-N 1 0 256.390 2.774 40 0 CFABRO CC(C)[C@@H]1CC[C@H](C)C[C@H]1NC(=O)c1cc[n+](C)cc1 ZINC000005496292 279995370 /nfs/dbraw/zinc/99/53/70/279995370.db2.gz IOONLHCKDARESF-CWRNSKLLSA-O 1 0 275.416 2.702 40 0 CFABRO C[C@H]1C[C@H](OC[C@H](O)C[NH2+]C(C)(C)C)CC(C)(C)C1 ZINC000002692846 280015782 /nfs/dbraw/zinc/01/57/82/280015782.db2.gz SYMRXAKJCMBHJY-MJBXVCDLSA-N 1 0 271.445 2.967 40 0 CFABRO C[C@@H]1CN([C@H](C[NH3+])c2c(F)cccc2Cl)C[C@@H](C)O1 ZINC000022222624 297073851 /nfs/dbraw/zinc/07/38/51/297073851.db2.gz WWWMEEMLFPNBKO-GIPNMCIBSA-N 1 0 286.778 2.588 40 0 CFABRO COc1ccccc1-c1nccnc1[C@H]1CCC[N@H+](C)C1 ZINC000072358364 295344787 /nfs/dbraw/zinc/34/47/87/295344787.db2.gz HWOMGZYOEPKVLI-ZDUSSCGKSA-N 1 0 283.375 2.961 40 0 CFABRO C[C@@]12C[C@H]3[NH2+][C@H]1CCCC[C@H]2N[C@@H]3Cc1ccccc1 ZINC000536553485 330365869 /nfs/dbraw/zinc/36/58/69/330365869.db2.gz JTXKOFRBDGVSQW-DZVNLGKHSA-N 1 0 270.420 2.880 40 0 CFABRO C[C@H]([NH2+]Cc1cnc(N)nc1)C12CC3CC(CC(C3)C1)C2 ZINC000062717349 333175877 /nfs/dbraw/zinc/17/58/77/333175877.db2.gz IWJHAOHPUDWSPH-GVMDUPDNSA-N 1 0 286.423 2.753 40 0 CFABRO COc1ccc(Cl)c2c(NCCC[NH3+])ccnc12 ZINC000222682888 533830550 /nfs/dbraw/zinc/83/05/50/533830550.db2.gz UZGZTYVTIBPQQL-UHFFFAOYSA-N 1 0 265.744 2.658 40 0 CFABRO [NH3+]Cc1coc(-c2cccc(Br)c2)n1 ZINC000082556179 178092908 /nfs/dbraw/zinc/09/29/08/178092908.db2.gz JTMAWQSWIFLMHR-UHFFFAOYSA-N 1 0 253.099 2.563 40 0 CFABRO Cc1ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N3)CC2)s1 ZINC000096047448 185072732 /nfs/dbraw/zinc/07/27/32/185072732.db2.gz TWWBFMKWGQFZNH-OAHLLOKOSA-N 1 0 278.421 2.691 40 0 CFABRO Cc1ccc(C[NH+]2CCC3(CCCC(=O)N3)CC2)s1 ZINC000096047388 185073251 /nfs/dbraw/zinc/07/32/51/185073251.db2.gz HJZNSWBPACNKSJ-UHFFFAOYSA-N 1 0 278.421 2.691 40 0 CFABRO C[N@@H+]1CCCCC12CCN(Cc1nccs1)CC2 ZINC000096051194 185074519 /nfs/dbraw/zinc/07/45/19/185074519.db2.gz QUGJYMPJMFRXDA-UHFFFAOYSA-N 1 0 265.426 2.593 40 0 CFABRO CCOC[C@@]12CCCO[C@H]1CC[N@H+](Cc1ccco1)C2 ZINC000096056789 185078112 /nfs/dbraw/zinc/07/81/12/185078112.db2.gz XKBHRIAJUFNVCY-HOTGVXAUSA-N 1 0 279.380 2.687 40 0 CFABRO CCOC[C@H]1C[N@H+](CC2CC2)Cc2nn(CC3CC3)cc21 ZINC000096060491 185080190 /nfs/dbraw/zinc/08/01/90/185080190.db2.gz KWDGKBQFXQXLCL-OAHLLOKOSA-N 1 0 289.423 2.639 40 0 CFABRO CCn1cc2c(n1)[C@@H](COCC1CC1)C[N@@H+](CC1CC1)C2 ZINC000096059951 185080220 /nfs/dbraw/zinc/08/02/20/185080220.db2.gz ZMUSRLVFLBAWNH-MRXNPFEDSA-N 1 0 289.423 2.639 40 0 CFABRO COC[C@H]1C[N@H+](Cc2ccc(C)s2)Cc2cnn(C)c21 ZINC000096060013 185081701 /nfs/dbraw/zinc/08/17/01/185081701.db2.gz XZHSTAAGGRYQPN-CYBMUJFWSA-N 1 0 291.420 2.536 40 0 CFABRO COC[C@H]1C[N@H+](Cc2ccc(C)s2)Cc2cn(C)nc21 ZINC000096059811 185081490 /nfs/dbraw/zinc/08/14/90/185081490.db2.gz UYGTYEYVDIFZKC-CYBMUJFWSA-N 1 0 291.420 2.536 40 0 CFABRO c1nnc(N2CCC[C@]3(CC[N@@H+](CC4CCC4)C3)C2)s1 ZINC000096071636 185086478 /nfs/dbraw/zinc/08/64/78/185086478.db2.gz BNZCKSYOBHVVSI-OAHLLOKOSA-N 1 0 292.452 2.631 40 0 CFABRO CC(C)CN1CCC2(CC[NH+](Cc3ccoc3)CC2)C1=O ZINC000096071150 185087096 /nfs/dbraw/zinc/08/70/96/185087096.db2.gz CYMDJQLFUJKENI-UHFFFAOYSA-N 1 0 290.407 2.750 40 0 CFABRO CC(C)[NH+]1CCC2(C[C@H](OCc3ccncc3)CO2)CC1 ZINC000096106854 185100018 /nfs/dbraw/zinc/10/00/18/185100018.db2.gz LBSKWKVRBWIIHH-INIZCTEOSA-N 1 0 290.407 2.630 40 0 CFABRO CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1cccs1)C2 ZINC000096107444 185100162 /nfs/dbraw/zinc/10/01/62/185100162.db2.gz QATINGISQUSVMP-ZFWWWQNUSA-N 1 0 281.421 2.908 40 0 CFABRO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCC[C@@H]2[NH3+] ZINC000096958588 185142617 /nfs/dbraw/zinc/14/26/17/185142617.db2.gz DCIGOSDVURTNCR-SMDDNHRTSA-N 1 0 254.374 2.515 40 0 CFABRO CN(C)Cc1ccnc([C@H]2CCC[N@@H+]2C2CCCC2)n1 ZINC000257258750 282150427 /nfs/dbraw/zinc/15/04/27/282150427.db2.gz KVISGWGBKPZYNN-OAHLLOKOSA-N 1 0 274.412 2.618 40 0 CFABRO CCc1cc(N2CCc3ccccc3C2)nc(NC(C)C)[nH+]1 ZINC000328959479 136377096 /nfs/dbraw/zinc/37/70/96/136377096.db2.gz AUKJKMIZJCESGC-UHFFFAOYSA-N 1 0 296.418 2.844 40 0 CFABRO O=C(Cc1ccc(Cl)cc1)NCC[NH+]1CCCCCC1 ZINC000010368940 346227289 /nfs/dbraw/zinc/22/72/89/346227289.db2.gz KMXVJGZCJHZBGA-UHFFFAOYSA-N 1 0 294.826 2.875 40 0 CFABRO CC1CC(C[NH3+])([C@@H](O)c2cccc(Br)c2)C1 ZINC000085395711 179049202 /nfs/dbraw/zinc/04/92/02/179049202.db2.gz WMBPOQDOXNIVSO-YHECAPGISA-N 1 0 284.197 2.858 40 0 CFABRO Cc1sc2[nH]c([C@H](C)[NH2+]C(C)C)nc(=O)c2c1C ZINC000007738685 282485732 /nfs/dbraw/zinc/48/57/32/282485732.db2.gz FRZQCPITXSVWSW-QMMMGPOBSA-N 1 0 265.382 2.660 40 0 CFABRO Fc1ccc(-c2cnc3nccc([C@@H]4CCC[NH2+]4)n23)cc1 ZINC000257320405 282970424 /nfs/dbraw/zinc/97/04/24/282970424.db2.gz VWQOBPBTXVFIIK-ZDUSSCGKSA-N 1 0 282.322 2.960 40 0 CFABRO CC(C)(C)OC(=O)N[C@@H]1C[NH2+]C[C@H]1C1CCCCC1 ZINC000143487431 347937667 /nfs/dbraw/zinc/93/76/67/347937667.db2.gz JKFONBAELDEELK-QWHCGFSZSA-N 1 0 268.401 2.679 40 0 CFABRO O=C1O[C@@]2(CN1c1cccc(Cl)c1)CCC[NH2+]CC2 ZINC000218854773 348167893 /nfs/dbraw/zinc/16/78/93/348167893.db2.gz AADUANBFZSDFFR-AWEZNQCLSA-N 1 0 280.755 2.809 40 0 CFABRO CCOC(=O)[C@H]1CC[NH2+][C@H]1c1ccccc1Cl ZINC000257197756 348305934 /nfs/dbraw/zinc/30/59/34/348305934.db2.gz INRVMGBUEDMVTR-JQWIXIFHSA-N 1 0 253.729 2.554 40 0 CFABRO CCOC(=O)[C@@H]1CC[NH2+][C@H]1c1ccccc1Cl ZINC000257197757 348306000 /nfs/dbraw/zinc/30/60/00/348306000.db2.gz INRVMGBUEDMVTR-PWSUYJOCSA-N 1 0 253.729 2.554 40 0 CFABRO CCOC(=O)[C@H]1CC[NH2+][C@@H]1c1cccc(Cl)c1 ZINC000257197713 348306011 /nfs/dbraw/zinc/30/60/11/348306011.db2.gz GWHBQUVPHPDSTR-NWDGAFQWSA-N 1 0 253.729 2.554 40 0 CFABRO [NH3+]CC[C@H](Cc1nc2ccccc2o1)C(F)(F)F ZINC000311006286 348411562 /nfs/dbraw/zinc/41/15/62/348411562.db2.gz PUWKNXIOMKMUOP-MRVPVSSYSA-N 1 0 258.243 2.898 40 0 CFABRO CC(C)(C)OC(=O)N(CC1CC1)[C@@H]1CCC[C@@H]1[NH3+] ZINC000409440009 348602354 /nfs/dbraw/zinc/60/23/54/348602354.db2.gz JHQAHJBTJCUJQT-NWDGAFQWSA-N 1 0 254.374 2.513 40 0 CFABRO CC(C)(C)OC(=O)N(CC(F)(F)F)[C@H]1CCC[C@@H]1[NH3+] ZINC000409442510 348602391 /nfs/dbraw/zinc/60/23/91/348602391.db2.gz WDYUJROINIVUEA-IUCAKERBSA-N 1 0 282.306 2.666 40 0 CFABRO CC(C)(C)OC(=O)N([C@H](C(=[NH2+])NO)C1CCCC1)C1CC1 ZINC000409439808 348602580 /nfs/dbraw/zinc/60/25/80/348602580.db2.gz IPTHRWSUHXKIEH-LBPRGKRZSA-N 1 0 297.399 2.901 40 0 CFABRO CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCO1 ZINC000409439043 348602595 /nfs/dbraw/zinc/60/25/95/348602595.db2.gz GADIDLUFQJHZAH-BFHYXJOUSA-N 1 0 298.427 2.591 40 0 CFABRO Cc1ccc(C)c2[nH]c(=O)c(C[NH2+][C@H](CO)C(C)C)cc12 ZINC000585292838 348738905 /nfs/dbraw/zinc/73/89/05/348738905.db2.gz OXZMPFPHZAOFNU-OAHLLOKOSA-N 1 0 288.391 2.664 40 0 CFABRO Cc1cccc(CO[C@H]2CSC3(C[NH+](C(C)C)C3)C2)n1 ZINC000585103853 348734446 /nfs/dbraw/zinc/73/44/46/348734446.db2.gz DJNHXSWLMKFGMY-OAHLLOKOSA-N 1 0 292.448 2.875 40 0 CFABRO COCC[C@H]1CCOC12CC[NH+](Cc1ccco1)CC2 ZINC000585103750 348734695 /nfs/dbraw/zinc/73/46/95/348734695.db2.gz ZUVRQLVJDOGZOM-AWEZNQCLSA-N 1 0 279.380 2.687 40 0 CFABRO CCC(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224702349 539994471 /nfs/dbraw/zinc/99/44/71/539994471.db2.gz GBKIAORAZLPIAT-UHFFFAOYSA-N 1 0 260.381 2.699 40 0 CFABRO Brc1ccc2c(c1)[C@@]1(CCC2)COCC[NH2+]1 ZINC000306145426 540166098 /nfs/dbraw/zinc/16/60/98/540166098.db2.gz FBWJHXXBLQHYNF-CYBMUJFWSA-N 1 0 282.181 2.601 40 0 CFABRO CC[C@H](OC[C@@H](O)C[NH+]1CCCC1)c1ccccc1 ZINC000002694617 169820606 /nfs/dbraw/zinc/82/06/06/169820606.db2.gz NMHSHAPLNHLFCO-HOTGVXAUSA-N 1 0 263.381 2.611 40 0 CFABRO CC(C)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000224519558 189742172 /nfs/dbraw/zinc/74/21/72/189742172.db2.gz OVGWNNTYUBKNTK-UHFFFAOYSA-N 1 0 260.381 2.555 40 0 CFABRO S=C(NCCC[NH+]1CCCCCC1)Nc1cccnc1 ZINC000225401799 189749509 /nfs/dbraw/zinc/74/95/09/189749509.db2.gz TWKXMFBPTURENK-UHFFFAOYSA-N 1 0 292.452 2.634 40 0 CFABRO CCN(C(=O)C(C)C)[C@@H](c1ccccc1)C(C)(C)[NH3+] ZINC000225750894 284138946 /nfs/dbraw/zinc/13/89/46/284138946.db2.gz VSRZSFDRZMXHPI-AWEZNQCLSA-N 1 0 262.397 2.970 40 0 CFABRO Cc1cc(OC[C@@H](O)C[NH2+]C(C)(C)C)ccc1Cl ZINC000000166962 371547122 /nfs/dbraw/zinc/54/71/22/371547122.db2.gz ANNILEBRKQUBEL-NSHDSACASA-N 1 0 271.788 2.776 40 0 CFABRO CC(=O)O[C@H]1[C@@H]2CCC[C@H]1CC[C@@H]2[NH+]1CCCCC1 ZINC000000517732 371633471 /nfs/dbraw/zinc/63/34/71/371633471.db2.gz KSJDJOYKEJTGAN-XUWVNRHRSA-N 1 0 265.397 2.983 40 0 CFABRO COCCC[PH+](CCCOC)CCCOC ZINC000002570833 371738622 /nfs/dbraw/zinc/73/86/22/371738622.db2.gz APRCRSUXFGXHEL-UHFFFAOYSA-N 1 0 250.319 2.578 40 0 in-man CFABRO CC[NH+](CC)CCNc1ccc(CO)c(Cl)c1 ZINC000001655654 371692401 /nfs/dbraw/zinc/69/24/01/371692401.db2.gz JGZJGBJXPBBFOE-UHFFFAOYSA-N 1 0 256.777 2.586 40 0 CFABRO C[C@@H](CO)[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000001667122 371693691 /nfs/dbraw/zinc/69/36/91/371693691.db2.gz GRCWULRRKAJPKL-YOEHRIQHSA-N 1 0 255.361 2.941 40 0 CFABRO O=C1CN(C23CCC(c4ccccc42)c2ccccc23)N=[O+]1 ZINC000005124854 371880860 /nfs/dbraw/zinc/88/08/60/371880860.db2.gz OYFSEHLBEKPMNA-UHFFFAOYSA-O 1 0 291.330 2.699 40 0 CFABRO C[C@H](Sc1ccccc1)C(=O)NCCC[NH+]1CCCC1 ZINC000010450015 371909278 /nfs/dbraw/zinc/90/92/78/371909278.db2.gz JNTHZBPFUPEWOV-AWEZNQCLSA-N 1 0 292.448 2.769 40 0 CFABRO C[C@@H]([NH3+])Cc1c[nH]c2ccc(Br)cc12 ZINC000012401814 371960293 /nfs/dbraw/zinc/96/02/93/371960293.db2.gz IGHWRFCBYBVCLC-SSDOTTSWSA-N 1 0 253.143 2.820 40 0 CFABRO Cc1cc(C)nc(N2CCC[N@H+](Cc3ccccc3)CC2)n1 ZINC000013225802 372020489 /nfs/dbraw/zinc/02/04/89/372020489.db2.gz ZRYRPNLLRADXPE-UHFFFAOYSA-N 1 0 296.418 2.806 40 0 CFABRO CC(C)(C)c1noc([C@@H]2CC[N@H+](Cc3cccnc3)C2)n1 ZINC000019084660 372147027 /nfs/dbraw/zinc/14/70/27/372147027.db2.gz ZLFWAVBSZVBQDP-CYBMUJFWSA-N 1 0 286.379 2.752 40 0 CFABRO COc1ccc([C@H]2C[NH2+][C@@H]3CCCC[C@@H]32)cc1OC ZINC000019560305 372173346 /nfs/dbraw/zinc/17/33/46/372173346.db2.gz OPRYKPBAEBDSPG-MGPQQGTHSA-N 1 0 261.365 2.949 40 0 CFABRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccc(F)c1F ZINC000019575784 372175789 /nfs/dbraw/zinc/17/57/89/372175789.db2.gz ZWXRDBBIZKRVRP-WCQYABFASA-N 1 0 266.335 2.633 40 0 CFABRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(F)c(F)c1 ZINC000019575090 372176498 /nfs/dbraw/zinc/17/64/98/372176498.db2.gz BKFFKTJHSZTRRI-YPMHNXCESA-N 1 0 266.335 2.633 40 0 CFABRO CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(-c2ccccc2)cc1 ZINC000017039558 372126124 /nfs/dbraw/zinc/12/61/24/372126124.db2.gz SENQYKYYGUQWBP-UHFFFAOYSA-N 1 0 293.374 2.539 40 0 CFABRO C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000024321267 372274734 /nfs/dbraw/zinc/27/47/34/372274734.db2.gz GZMPSKSJUFCIND-UHFFFAOYSA-N 1 0 264.332 2.654 40 0 CFABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)N(C)C)cc2)C1 ZINC000030758690 372397315 /nfs/dbraw/zinc/39/73/15/372397315.db2.gz MWWSADZKYCJNBS-ZDUSSCGKSA-N 1 0 260.381 2.620 40 0 CFABRO Cc1cccc(C)c1OC[C@H](O)C[NH2+]C1CCCC1 ZINC000032113128 372428449 /nfs/dbraw/zinc/42/84/49/372428449.db2.gz JPSUEUFSIDUFGZ-OAHLLOKOSA-N 1 0 263.381 2.575 40 0 CFABRO COC(=O)COc1ccc(C[NH2+]CCc2ccccc2)cc1 ZINC000036612775 372581888 /nfs/dbraw/zinc/58/18/88/372581888.db2.gz KFEJQDBSLMOQMK-UHFFFAOYSA-N 1 0 299.370 2.571 40 0 CFABRO Cc1ccc(C)c(CC(=O)NCCC[NH+]2CCCCC2)c1 ZINC000044947675 373012998 /nfs/dbraw/zinc/01/29/98/373012998.db2.gz NHKRCLNYSNXDSD-UHFFFAOYSA-N 1 0 288.435 2.838 40 0 CFABRO CC(C)(C)OC(=O)CC[NH2+]Cc1ccc(F)cc1 ZINC000047218971 373084463 /nfs/dbraw/zinc/08/44/63/373084463.db2.gz WEOUHNANUODXQT-UHFFFAOYSA-N 1 0 253.317 2.647 40 0 CFABRO COc1ccccc1-c1nnc([C@H]2CC[N@@H+](C(C)C)C2)o1 ZINC000049170060 373273334 /nfs/dbraw/zinc/27/33/34/373273334.db2.gz UNCXTYWTHBTLCX-LBPRGKRZSA-N 1 0 287.363 2.943 40 0 biogenic,in-vitro CFABRO Cn1c2ccccc2nc1[C@H]1CC[N@H+](CC2CC2)C1 ZINC000049171217 373275777 /nfs/dbraw/zinc/27/57/77/373275777.db2.gz RAOIFFGLVCVSRJ-ZDUSSCGKSA-N 1 0 255.365 2.773 40 0 biogenic,in-vitro CFABRO [NH3+]CCCn1cc(-c2ccc(Br)cc2)cn1 ZINC000049876465 373327611 /nfs/dbraw/zinc/32/76/11/373327611.db2.gz BRFDTWLLWXUKQU-UHFFFAOYSA-N 1 0 280.169 2.661 40 0 CFABRO CCOC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC000057354206 373589953 /nfs/dbraw/zinc/58/99/53/373589953.db2.gz LILXUELARXKULD-OAHLLOKOSA-N 1 0 261.365 2.852 40 0 CFABRO Fc1ccccc1[C@@H]1C[N@H+](Cc2ccccc2)CCN1 ZINC000056894756 373574622 /nfs/dbraw/zinc/57/46/22/373574622.db2.gz HOPRDLBLTLJYIS-KRWDZBQOSA-N 1 0 270.351 2.972 40 0 CFABRO Cc1ccc(C(=O)NCCC[NH+]2CCCC2)c(C)c1 ZINC000061547419 373719297 /nfs/dbraw/zinc/71/92/97/373719297.db2.gz JHIBSMIACAFMBI-UHFFFAOYSA-N 1 0 260.381 2.519 40 0 CFABRO Cc1ccc(NC(=O)CC2CC[NH+](C)CC2)c(C)c1 ZINC000074920986 374447016 /nfs/dbraw/zinc/44/70/16/374447016.db2.gz LZSFLHIXRCQIMJ-UHFFFAOYSA-N 1 0 260.381 2.974 40 0 CFABRO C[C@H]([NH3+])C(=O)N([C@@H](C)c1cccc(Cl)c1)C1CC1 ZINC000079421229 374610204 /nfs/dbraw/zinc/61/02/04/374610204.db2.gz RDUONKUAOXUNKB-UWVGGRQHSA-N 1 0 266.772 2.739 40 0 CFABRO C[NH2+][C@@H]1CCCC[C@@H]1N(C)C(=O)OCc1ccccc1 ZINC000079437757 374611915 /nfs/dbraw/zinc/61/19/15/374611915.db2.gz ZYRONJPZIAYFBW-CABCVRRESA-N 1 0 276.380 2.786 40 0 CFABRO CC(C)[NH2+]C[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079437225 374612055 /nfs/dbraw/zinc/61/20/55/374612055.db2.gz FQXMKEDPXZOHJL-OAHLLOKOSA-N 1 0 276.380 2.643 40 0 CFABRO C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cc2)C1 ZINC000082324602 374735244 /nfs/dbraw/zinc/73/52/44/374735244.db2.gz VIPFVTVHVOHXRM-JTQLQIEISA-N 1 0 252.745 2.620 40 0 CFABRO C[NH2+][C@H]1COc2c(Br)cc(Cl)cc2C1 ZINC000090505511 375018504 /nfs/dbraw/zinc/01/85/04/375018504.db2.gz NXDKMWPYEGPPRI-MRVPVSSYSA-N 1 0 276.561 2.625 40 0 CFABRO c1cc(C[N@@H+]2CC[C@@]3(C2)CCCN(c2ncccn2)C3)co1 ZINC000096047145 375468377 /nfs/dbraw/zinc/46/83/77/375468377.db2.gz HDMAZXKOHUFCLQ-QGZVFWFLSA-N 1 0 298.390 2.562 40 0 CFABRO CC(C)[C@@H]1CO[C@]2(CC[N@H+](Cc3cccnc3)C2)C1 ZINC000096072027 375468614 /nfs/dbraw/zinc/46/86/14/375468614.db2.gz OKIOQHKJNOSDFC-JKSUJKDBSA-N 1 0 260.381 2.719 40 0 CFABRO c1cc(C[N@H+]2CC[C@H]3[C@H]2CCN3Cc2cccnc2)cs1 ZINC000096184638 375474645 /nfs/dbraw/zinc/47/46/45/375474645.db2.gz OZNIWHVZJXVQAR-DLBZAZTESA-N 1 0 299.443 2.992 40 0 CFABRO CCOC[C@H]1CC[C@H]2[C@H](CC[N@@H+]2Cc2ccsc2)O1 ZINC000096186634 375475389 /nfs/dbraw/zinc/47/53/89/375475389.db2.gz QTZCVHWBZNTRQW-ILXRZTDVSA-N 1 0 281.421 2.907 40 0 CFABRO Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[N@@H+]3CC2CC2)o1 ZINC000096205755 375477322 /nfs/dbraw/zinc/47/73/22/375477322.db2.gz XVRLLMAZTPJPDO-CVEARBPZSA-N 1 0 260.381 2.647 40 0 CFABRO c1ccc(N[C@@H]2CCO[C@]3(CC[N@@H+](CC4CC4)C3)C2)nc1 ZINC000096209200 375477974 /nfs/dbraw/zinc/47/79/74/375477974.db2.gz HBISVXAWTFDWKW-NVXWUHKLSA-N 1 0 287.407 2.527 40 0 CFABRO COC[C@@H]1CCC2(CCN(Cc3ccsc3)CC2)[N@@H+]1C ZINC000096207875 375477999 /nfs/dbraw/zinc/47/79/99/375477999.db2.gz VLXQNCBPJRWXHV-HNNXBMFYSA-N 1 0 294.464 2.823 40 0 CFABRO CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](CCc1ccccc1)C2 ZINC000096209408 375478014 /nfs/dbraw/zinc/47/80/14/375478014.db2.gz FRQLTTQLPHRJEJ-ROUUACIJSA-N 1 0 289.419 2.889 40 0 CFABRO c1cc(C[N@H+]2C[C@@H]3COC[C@]3(COCC3CC3)C2)cs1 ZINC000096208925 375478074 /nfs/dbraw/zinc/47/80/74/375478074.db2.gz NHWHLGJYSQVEEW-HZPDHXFCSA-N 1 0 293.432 2.623 40 0 CFABRO O=C1N(CC2CC2)CC12CC[NH+](Cc1ccccc1)CC2 ZINC000096202853 375478126 /nfs/dbraw/zinc/47/81/26/375478126.db2.gz GBLUVIYCEQJGFI-UHFFFAOYSA-N 1 0 284.403 2.521 40 0 CFABRO COc1cccc(C[NH2+]Cc2cc(C(C)C)nn2C)c1 ZINC000256054001 190004997 /nfs/dbraw/zinc/00/49/97/190004997.db2.gz UNQRVRARDLAJKN-UHFFFAOYSA-N 1 0 273.380 2.842 40 0 CFABRO CCCn1cc(C[NH2+]Cc2ccnn2CC(C)C)c(C)n1 ZINC000256054456 190005421 /nfs/dbraw/zinc/00/54/21/190005421.db2.gz WIIGYCHQZUPVSQ-UHFFFAOYSA-N 1 0 289.427 2.744 40 0 CFABRO Cn1cc(C[NH2+]Cc2ccc(F)s2)c(C2CC2)n1 ZINC000256049674 190002554 /nfs/dbraw/zinc/00/25/54/190002554.db2.gz AXAYWKJFIDKZLH-UHFFFAOYSA-N 1 0 265.357 2.788 40 0 CFABRO CCCn1cc(C[NH2+]Cc2ccc(OC)cc2)c(C)n1 ZINC000256050142 190003207 /nfs/dbraw/zinc/00/32/07/190003207.db2.gz CXEXMSYIZQMSMC-UHFFFAOYSA-N 1 0 273.380 2.900 40 0 CFABRO CCCn1nc(C)cc1C[NH2+]CCCOC(C)C ZINC000256051039 190003614 /nfs/dbraw/zinc/00/36/14/190003614.db2.gz HMEGJKLQHVNBIW-UHFFFAOYSA-N 1 0 253.390 2.506 40 0 CFABRO Fc1ccc(C[NH2+]Cc2cnn(CC(F)(F)F)c2)cc1 ZINC000256052934 190004493 /nfs/dbraw/zinc/00/44/93/190004493.db2.gz PFZCUYTZKHXNIE-UHFFFAOYSA-N 1 0 287.260 2.874 40 0 CFABRO FC(F)(F)Cn1cc(C[NH2+]Cc2ccccc2)cn1 ZINC000256054348 190005553 /nfs/dbraw/zinc/00/55/53/190005553.db2.gz VYQSVSGTPOEAHL-UHFFFAOYSA-N 1 0 269.270 2.735 40 0 CFABRO CCOc1ccc(C[NH2+]Cc2ccnn2C(F)F)cc1 ZINC000256054569 190005668 /nfs/dbraw/zinc/00/56/68/190005668.db2.gz WVVFYYQYSSLSTD-UHFFFAOYSA-N 1 0 281.306 2.967 40 0 CFABRO c1cncc(Oc2cccc([C@H]3CCC[NH2+]C3)n2)c1 ZINC000257198250 190010653 /nfs/dbraw/zinc/01/06/53/190010653.db2.gz XDQWGFRYRSMNFS-LBPRGKRZSA-N 1 0 255.321 2.736 40 0 CFABRO Cc1ccc(C[N@@H+]2CC[C@@H](c3nc(C)cc(C)n3)C2)cn1 ZINC000257202393 190011023 /nfs/dbraw/zinc/01/10/23/190011023.db2.gz ALPAWPJXUMZXBG-MRXNPFEDSA-N 1 0 282.391 2.786 40 0 CFABRO Cc1cccc(C[C@H]2CCC[N@H+](Cc3ccnc(C)n3)C2)n1 ZINC000257207054 190011202 /nfs/dbraw/zinc/01/12/02/190011202.db2.gz BGEHFJLLJRLRBX-MRXNPFEDSA-N 1 0 296.418 2.943 40 0 CFABRO CC(C)n1nccc1-c1cncc(CC2CC[NH+](C)CC2)n1 ZINC000257212860 190013394 /nfs/dbraw/zinc/01/33/94/190013394.db2.gz CFGDDFDJMUIGJQ-UHFFFAOYSA-N 1 0 299.422 2.805 40 0 CFABRO Cn1cnc(C[N@@H+]2C[C@@H]3C[C@@H](Oc4ccccc4)C[C@@H]3C2)c1 ZINC000257218797 190013586 /nfs/dbraw/zinc/01/35/86/190013586.db2.gz DELDUNFFSXSTTM-HWWDLCQESA-N 1 0 297.402 2.710 40 0 CFABRO CO[C@H]1C[N@H+](Cc2ccc3ncccc3c2)C[C@@]12CCCO2 ZINC000257217613 190013803 /nfs/dbraw/zinc/01/38/03/190013803.db2.gz CZTHCBIODYQEEP-ROUUACIJSA-N 1 0 298.386 2.615 40 0 CFABRO Cc1ccc(C[C@@H]2CCC[N@@H+](Cc3nccn3C)C2)cn1 ZINC000257218139 190014168 /nfs/dbraw/zinc/01/41/68/190014168.db2.gz DBZNJOZJICNKOT-INIZCTEOSA-N 1 0 284.407 2.578 40 0 CFABRO O[C@H]1CCCOC12CC[NH+](CCCc1ccccc1)CC2 ZINC000257215994 190014234 /nfs/dbraw/zinc/01/42/34/190014234.db2.gz CSPHONXGXUUPGW-KRWDZBQOSA-N 1 0 289.419 2.625 40 0 CFABRO Cc1cc(CC[C@H]2CCC[N@@H+]2C2CCOCC2)ccn1 ZINC000257251278 190020388 /nfs/dbraw/zinc/02/03/88/190020388.db2.gz JQBYDFMKDVHZIJ-MRXNPFEDSA-N 1 0 274.408 2.966 40 0 CFABRO Cc1c[nH]nc1[C@H]1CC[N@H+](CCOc2ccccc2)C1 ZINC000257265433 190022974 /nfs/dbraw/zinc/02/29/74/190022974.db2.gz LYQFJNQCQHRKRS-AWEZNQCLSA-N 1 0 271.364 2.586 40 0 CFABRO CCCCc1ncc(C[N@@H+]2CC[C@H](c3n[nH]cc3C)C2)[nH]1 ZINC000257266190 190023441 /nfs/dbraw/zinc/02/34/41/190023441.db2.gz MBYAGTNQOJWXMH-ZDUSSCGKSA-N 1 0 287.411 2.773 40 0 CFABRO Cc1cnc(Nc2cc([C@H]3CC[N@@H+](C)C3)nc(C)n2)s1 ZINC000257270301 190023744 /nfs/dbraw/zinc/02/37/44/190023744.db2.gz MTPRTFMZJRGACY-NSHDSACASA-N 1 0 289.408 2.713 40 0 CFABRO Cc1c[nH]nc1[C@H]1CCC[N@@H+](Cc2ccnn2C(C)C)C1 ZINC000257252602 190021215 /nfs/dbraw/zinc/02/12/15/190021215.db2.gz JVJXCMCYLVBWEY-AWEZNQCLSA-N 1 0 287.411 2.875 40 0 CFABRO Cc1cccc(C[C@H]2CCC[N@@H+](Cc3ccn(C)n3)C2)n1 ZINC000257261313 190022446 /nfs/dbraw/zinc/02/24/46/190022446.db2.gz LGRPEWJOEBQMMA-OAHLLOKOSA-N 1 0 284.407 2.578 40 0 CFABRO Cc1cnccc1C[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000257261771 190022479 /nfs/dbraw/zinc/02/24/79/190022479.db2.gz LISJXHZTSOKLIN-OAHLLOKOSA-N 1 0 268.364 2.560 40 0 CFABRO [NH3+]CC1CCC(c2ccnc(Nc3ccccn3)n2)CC1 ZINC000257278192 190025753 /nfs/dbraw/zinc/02/57/53/190025753.db2.gz OBFYJAMKYDIRJF-UHFFFAOYSA-N 1 0 283.379 2.848 40 0 CFABRO CC(C)n1cc(-c2cncc(C[C@H]3CCC[N@H+](C)C3)n2)cn1 ZINC000257282004 190025973 /nfs/dbraw/zinc/02/59/73/190025973.db2.gz ORWIHYVEJIUGSL-CQSZACIVSA-N 1 0 299.422 2.805 40 0 CFABRO CCC[N@@H+]1CCC[C@H]([C@H]2c3ccccc3NC2=O)C1 ZINC000107271379 375806183 /nfs/dbraw/zinc/80/61/83/375806183.db2.gz BSSYYHRCZMIBOS-WFASDCNBSA-N 1 0 258.365 2.844 40 0 CFABRO Cc1ccnc([C@H]2CC[N@H+](CCc3ccc(F)cc3)C2)n1 ZINC000257275052 190024668 /nfs/dbraw/zinc/02/46/68/190024668.db2.gz NNSRUPHODNSHMM-HNNXBMFYSA-N 1 0 285.366 2.956 40 0 CFABRO CCCn1nccc1-c1cncc(CC2CC[NH+](C)CC2)n1 ZINC000257274167 190025063 /nfs/dbraw/zinc/02/50/63/190025063.db2.gz NJVKIKIBBYXYNB-UHFFFAOYSA-N 1 0 299.422 2.634 40 0 CFABRO Cc1n[nH]cc1-c1cnc(CC2CC[NH+](C(C)C)CC2)cn1 ZINC000257298221 190029107 /nfs/dbraw/zinc/02/91/07/190029107.db2.gz RKRXFTCRPDEMDW-UHFFFAOYSA-N 1 0 299.422 2.838 40 0 CFABRO Cc1c[nH]c([C@H]2CCC[N@@H+](Cc3ccnn3C(C)C)C2)n1 ZINC000257315700 190032452 /nfs/dbraw/zinc/03/24/52/190032452.db2.gz VCLQDCNLQORPCV-AWEZNQCLSA-N 1 0 287.411 2.875 40 0 CFABRO Cc1nc(-c2ccnn2C(C)C)cc([C@H]2CCC[N@@H+]2C)n1 ZINC000257319883 190033146 /nfs/dbraw/zinc/03/31/46/190033146.db2.gz VULCYOLBBIOKFH-OAHLLOKOSA-N 1 0 285.395 2.996 40 0 CFABRO CCn1cc(-c2nccnc2C2CC[NH+](C(C)C)CC2)cn1 ZINC000257340506 190037218 /nfs/dbraw/zinc/03/72/18/190037218.db2.gz ZGKXUTFWOZFFQT-UHFFFAOYSA-N 1 0 299.422 2.948 40 0 CFABRO C[C@H]1C[NH2+]CCC[C@@H]1CNC(=O)OCc1ccccc1 ZINC000261506709 190039884 /nfs/dbraw/zinc/03/98/84/190039884.db2.gz AGEQYCBKWKQTAR-DZGCQCFKSA-N 1 0 276.380 2.549 40 0 CFABRO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccccc1)C2 ZINC000261507944 190040052 /nfs/dbraw/zinc/04/00/52/190040052.db2.gz OBEVUCFVGFDTEN-PHZGNYQRSA-N 1 0 288.391 2.928 40 0 CFABRO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccccc1)C2 ZINC000261507943 190040371 /nfs/dbraw/zinc/04/03/71/190040371.db2.gz OBEVUCFVGFDTEN-MUJYYYPQSA-N 1 0 288.391 2.928 40 0 CFABRO Cn1cc(Cc2cccc(C(F)(F)F)c2)[nH+]c1N ZINC000199550893 382771924 /nfs/dbraw/zinc/77/19/24/382771924.db2.gz FFDDWMXGULXGOW-UHFFFAOYSA-N 1 0 255.243 2.612 40 0 CFABRO CCn1cc(Cc2ccc(Br)cc2)[nH+]c1N ZINC000199550219 382772114 /nfs/dbraw/zinc/77/21/14/382772114.db2.gz MHFUCVRIGVJWFI-UHFFFAOYSA-N 1 0 280.169 2.839 40 0 CFABRO CCn1c2cc(Cl)c(Cl)cc2nc1CC[NH3+] ZINC000225295206 382814075 /nfs/dbraw/zinc/81/40/75/382814075.db2.gz HFJQXOFKSCXRJC-UHFFFAOYSA-N 1 0 258.152 2.864 40 0 CFABRO CN1C[C@@H]([NH3+])[C@@H](c2ccc(OCc3ccccc3)cc2)C1 ZINC000225606908 382819008 /nfs/dbraw/zinc/81/90/08/382819008.db2.gz JIEQVHZTOMPODJ-QZTJIDSGSA-N 1 0 282.387 2.622 40 0 CFABRO Fc1cccc(F)c1N1CC[NH2+][C@@H]2CCCC[C@@H]21 ZINC000225713935 382820523 /nfs/dbraw/zinc/82/05/23/382820523.db2.gz FHICKLROPSPFMF-OLZOCXBDSA-N 1 0 252.308 2.686 40 0 CFABRO CCCc1ccc(C[NH2+]C[C@@H]2CCCO2)n1CC ZINC000226020913 382824426 /nfs/dbraw/zinc/82/44/26/382824426.db2.gz IHEJXLJYCMOIEZ-HNNXBMFYSA-N 1 0 250.386 2.729 40 0 CFABRO Cc1ccc(C[N@H+]2C[C@@H]3C(=O)N(c4ccccc4)C[C@H]3C2)o1 ZINC000248130790 383213286 /nfs/dbraw/zinc/21/32/86/383213286.db2.gz YMRVJIYUICGOAF-PBHICJAKSA-N 1 0 296.370 2.683 40 0 CFABRO COc1ccc([C@H](C)N2CC[NH2+][C@H]3CCC[C@H]32)cc1 ZINC000252514577 383416388 /nfs/dbraw/zinc/41/63/88/383416388.db2.gz CWYKHCGVGDOOSN-VBNZEHGJSA-N 1 0 260.381 2.583 40 0 CFABRO Cc1c[nH]nc1[C@@H]1CCCCN1Cc1cncs1 ZINC000257319243 383494866 /nfs/dbraw/zinc/49/48/66/383494866.db2.gz VRMCJBOCYCLOGN-LBPRGKRZSA-N 1 0 262.382 2.902 40 0 CFABRO CN1C(=O)CC[C@]12CCC[N@H+](Cc1cccs1)CC2 ZINC000096217652 256825834 /nfs/dbraw/zinc/82/58/34/256825834.db2.gz FYTYCXDTVBJZIN-HNNXBMFYSA-N 1 0 278.421 2.725 40 0 CFABRO c1ccc(C[C@H]2CCCN(c3cc[nH+]cc3)C2)nc1 ZINC000257243610 285479899 /nfs/dbraw/zinc/47/98/99/285479899.db2.gz IHUFVAVUTPTHSN-CQSZACIVSA-N 1 0 253.349 2.936 40 0 CFABRO CCCCCC[N@@H+]1CCC[C@@H](OC(=O)N(C)C)C1 ZINC000005203234 393461126 /nfs/dbraw/zinc/46/11/26/393461126.db2.gz LIDIEESTMCMGMQ-CYBMUJFWSA-N 1 0 256.390 2.729 40 0 CFABRO CCSc1ncc(C[NH2+]CCc2ccccc2)cn1 ZINC000062717288 393627434 /nfs/dbraw/zinc/62/74/34/393627434.db2.gz ONFLFXLFHNTJJV-UHFFFAOYSA-N 1 0 273.405 2.921 40 0 CFABRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCOCC2)nc1 ZINC000072216180 393645106 /nfs/dbraw/zinc/64/51/06/393645106.db2.gz JWYMRMPQLBZNJU-MRXNPFEDSA-N 1 0 289.423 2.855 40 0 CFABRO CN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCC[NH2+]1 ZINC000072214480 393645164 /nfs/dbraw/zinc/64/51/64/393645164.db2.gz KVRZVLOPJSUHAZ-LBPRGKRZSA-N 1 0 277.368 2.877 40 0 CFABRO [NH3+][C@@H]1CCN(c2cc(-c3ccccc3)nc(C3CC3)n2)C1 ZINC000096517000 393835703 /nfs/dbraw/zinc/83/57/03/393835703.db2.gz PZUJHMQUDLXNLZ-CQSZACIVSA-N 1 0 280.375 2.558 40 0 CFABRO COc1ccccc1-c1n[nH]c([C@H]([NH3+])Cc2ccccc2)n1 ZINC000095534888 393813080 /nfs/dbraw/zinc/81/30/80/393813080.db2.gz PHEPCKLSWUZSPO-CQSZACIVSA-N 1 0 294.358 2.723 40 0 CFABRO CCOC(=O)CCCSc1ncccc1[C@H]1CCC[NH2+]1 ZINC000095095257 285702490 /nfs/dbraw/zinc/70/24/90/285702490.db2.gz BVIWMUCJEREMNP-CYBMUJFWSA-N 1 0 294.420 2.942 40 0 CFABRO COc1cc2c(cc1OC)[C@H](c1ccc(O)c(C)c1)C[NH2+]C2 ZINC000003847188 286260809 /nfs/dbraw/zinc/26/08/09/286260809.db2.gz OELWKTXQKFEKFJ-HNNXBMFYSA-N 1 0 299.370 2.953 40 0 CFABRO Cc1cc(OCC2=[NH+]CCN2)c(C)c(C)c1Cl ZINC000001688477 169742376 /nfs/dbraw/zinc/74/23/76/169742376.db2.gz QSDKQDBAWOUCDL-UHFFFAOYSA-N 1 0 252.745 2.646 40 0 CFABRO CCC[C@@H](CC1CC[NH2+]CC1)C(=O)C(F)(F)F ZINC000002044396 169771908 /nfs/dbraw/zinc/77/19/08/169771908.db2.gz DVJFQSXXKZKCRF-JTQLQIEISA-N 1 0 251.292 2.924 40 0 CFABRO Cc1ccc(C(C)C)c(OCC(=O)NCCC[NH+](C)C)c1 ZINC000003624093 169904475 /nfs/dbraw/zinc/90/44/75/169904475.db2.gz WWZGEFNZSZZXMB-UHFFFAOYSA-N 1 0 292.423 2.565 40 0 CFABRO C[C@H]1CCC[C@H](C)[NH+]1C[C@H](O)COc1ccccc1 ZINC000004729413 170007192 /nfs/dbraw/zinc/00/71/92/170007192.db2.gz RMVNPEWAEINXLO-KKUMJFAQSA-N 1 0 263.381 2.689 40 0 CFABRO O=C(c1ccccc1)N1CC[NH+](C[C@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000004745999 170010239 /nfs/dbraw/zinc/01/02/39/170010239.db2.gz VXXFRTLOMBXMOB-BPQIPLTHSA-N 1 0 296.414 2.657 40 0 CFABRO CC(C)(C)[NH2+]C[C@H](O)COc1cccc2c1SCCC2 ZINC000005352943 170089050 /nfs/dbraw/zinc/08/90/50/170089050.db2.gz HTWFXPCUFWKXOP-ZDUSSCGKSA-N 1 0 295.448 2.853 40 0 world CFABRO C[NH+](C)CCn1nc(-c2ccccc2)c2ccccc2c1=O ZINC000005535387 170110151 /nfs/dbraw/zinc/11/01/51/170110151.db2.gz HHMQGHYYPKZRCN-UHFFFAOYSA-N 1 0 293.370 2.625 40 0 CFABRO Cc1ccc(C(N)=O)c[n+]1Cc1cccc2ccccc21 ZINC000005543036 170111382 /nfs/dbraw/zinc/11/13/82/170111382.db2.gz XEZJIBHGTPKYDF-UHFFFAOYSA-O 1 0 277.347 2.583 40 0 CFABRO C[C@@H]([NH2+]C[C@H](O)COC(C)(C)C)c1ccccc1 ZINC000007636335 170294307 /nfs/dbraw/zinc/29/43/07/170294307.db2.gz SDDLOZBXFNVCLQ-OCCSQVGLSA-N 1 0 251.370 2.513 40 0 CFABRO COc1cc(C=O)ccc1OCC[NH+]1CCCCCC1 ZINC000009237638 170368066 /nfs/dbraw/zinc/36/80/66/170368066.db2.gz FZYBEYQDGAZZKK-UHFFFAOYSA-N 1 0 277.364 2.763 40 0 CFABRO CC1(C)[C@H]2CC[C@]1(C)[C@H](OC[C@H](O)C[NH+]1CCCC1)C2 ZINC000009970709 170392446 /nfs/dbraw/zinc/39/24/46/170392446.db2.gz QQBJUDBLFGXHQW-KLZNWCGWSA-N 1 0 281.440 2.675 40 0 CFABRO C[NH+](C)CCCNC(=O)/C(=C/c1ccco1)c1ccccc1 ZINC000010111343 170397785 /nfs/dbraw/zinc/39/77/85/170397785.db2.gz BZPWSZHBDAFJPD-SAPNQHFASA-N 1 0 298.386 2.888 40 0 CFABRO [NH3+]CCc1cc(-c2ccc(Br)cc2)on1 ZINC000020270382 171126562 /nfs/dbraw/zinc/12/65/62/171126562.db2.gz OOCIVMDHCWEUNI-UHFFFAOYSA-N 1 0 267.126 2.605 40 0 CFABRO CCOc1ccccc1O[C@H](c1ccccc1)[C@H](O)C[NH3+] ZINC000022048388 171350645 /nfs/dbraw/zinc/35/06/45/171350645.db2.gz NSRLBJFRMMPGOK-RHSMWYFYSA-N 1 0 287.359 2.525 40 0 in-vitro CFABRO CCOc1ccccc1O[C@@H](c1ccccc1)[C@@H](O)C[NH3+] ZINC000022048384 171350662 /nfs/dbraw/zinc/35/06/62/171350662.db2.gz NSRLBJFRMMPGOK-YOEHRIQHSA-N 1 0 287.359 2.525 40 0 in-vitro CFABRO CC1CCN([C@H](C[NH3+])c2ccc(F)cc2F)CC1 ZINC000022170615 171367743 /nfs/dbraw/zinc/36/77/43/171367743.db2.gz FTDXKKBDPWCKMV-CQSZACIVSA-N 1 0 254.324 2.697 40 0 CFABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NC3CC3)cc2)C1 ZINC000038772590 174154834 /nfs/dbraw/zinc/15/48/34/174154834.db2.gz BQVZVXPPRZUGLR-ZDUSSCGKSA-N 1 0 272.392 2.811 40 0 CFABRO O=C(NCc1ccco1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038849016 174157834 /nfs/dbraw/zinc/15/78/34/174157834.db2.gz RMTPFTMJDLLYBO-MRXNPFEDSA-N 1 0 298.386 2.808 40 0 CFABRO COC(=O)c1ccc([C@@H]2CCC[NH2+]C2)c(Br)c1 ZINC000039952474 174177001 /nfs/dbraw/zinc/17/70/01/174177001.db2.gz ZBGHTPCOWYYCAW-SNVBAGLBSA-N 1 0 298.180 2.703 40 0 CFABRO Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCC[NH+](C)C)c1 ZINC000045584942 175381809 /nfs/dbraw/zinc/38/18/09/175381809.db2.gz BNJJZWTWADJUGI-AWEZNQCLSA-N 1 0 292.423 2.564 40 0 CFABRO CC(C)(C)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000046375573 175395999 /nfs/dbraw/zinc/39/59/99/175395999.db2.gz RLTAPYMIHPZMDQ-UHFFFAOYSA-N 1 0 274.408 2.945 40 0 CFABRO COc1ccc(CC[NH2+]C[C@H](C)C(=O)OC(C)(C)C)cc1 ZINC000047219096 175405514 /nfs/dbraw/zinc/40/55/14/175405514.db2.gz XACBHBFOMAQHAX-ZDUSSCGKSA-N 1 0 293.407 2.805 40 0 CFABRO CC(C)[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000072194533 176336971 /nfs/dbraw/zinc/33/69/71/176336971.db2.gz CQFQMIIBFSWUDK-LBPRGKRZSA-N 1 0 256.390 2.632 40 0 CFABRO Fc1cc(-c2noc(C3CC[NH2+]CC3)n2)ccc1Cl ZINC000072226842 176343352 /nfs/dbraw/zinc/34/33/52/176343352.db2.gz UKOMLZQQUBHWBV-UHFFFAOYSA-N 1 0 281.718 2.996 40 0 CFABRO Cc1ccc(CN2C[C@@H]3CCC[N@H+]3C[C@H]2C)s1 ZINC000072324646 176369733 /nfs/dbraw/zinc/36/97/33/176369733.db2.gz PBPRGBZWHZTRBD-YPMHNXCESA-N 1 0 250.411 2.725 40 0 CFABRO CC(C)[N@@H+]1CCC[C@@H](c2cncc(Nc3ncccn3)n2)C1 ZINC000072354317 176375276 /nfs/dbraw/zinc/37/52/76/176375276.db2.gz CUCCEJQOJYACKK-CYBMUJFWSA-N 1 0 298.394 2.598 40 0 CFABRO CC(=O)Nc1cccc(-c2nccnc2[C@H]2CCC[NH2+]C2)c1 ZINC000072356387 176375636 /nfs/dbraw/zinc/37/56/36/176375636.db2.gz CETRBRQFCKVKGP-AWEZNQCLSA-N 1 0 296.374 2.569 40 0 CFABRO CC(C)[N@@H+]1CCC[C@H](c2nccnc2-c2cncnc2)C1 ZINC000072358410 176376336 /nfs/dbraw/zinc/37/63/36/176376336.db2.gz NDXSQFFCKDNLBC-ZDUSSCGKSA-N 1 0 283.379 2.521 40 0 CFABRO c1ccc(Cc2nccnc2C[C@H]2CCC[NH2+]CC2)cc1 ZINC000072363324 176377411 /nfs/dbraw/zinc/37/74/11/176377411.db2.gz RUFUUUMRFLSSKE-INIZCTEOSA-N 1 0 281.403 3.000 40 0 CFABRO c1cncc(CNc2cc(CC[C@H]3CCCC[NH2+]3)ncn2)c1 ZINC000072364746 176379838 /nfs/dbraw/zinc/37/98/38/176379838.db2.gz LPOMALKGLJTZCN-OAHLLOKOSA-N 1 0 297.406 2.558 40 0 CFABRO COc1ccccc1-c1cc(C2CC[NH2+]CC2)nc(C)n1 ZINC000072365116 176380103 /nfs/dbraw/zinc/38/01/03/176380103.db2.gz SMCKPBWNECFVME-UHFFFAOYSA-N 1 0 283.375 2.928 40 0 CFABRO COc1ccc(Cc2ccc(CC3CC[NH2+]CC3)nn2)cc1 ZINC000072365016 176380165 /nfs/dbraw/zinc/38/01/65/176380165.db2.gz CJGYGLPJOYWKPU-UHFFFAOYSA-N 1 0 297.402 2.618 40 0 CFABRO C[NH+]1CCC(c2ccnc(NC[C@@]3(C)CCCO3)c2)CC1 ZINC000072365476 176380726 /nfs/dbraw/zinc/38/07/26/176380726.db2.gz GXIPZLADIWYBEU-QGZVFWFLSA-N 1 0 289.423 2.872 40 0 CFABRO Nc1ncc(-c2ccccc2F)c([C@H]2CCCC[NH2+]2)n1 ZINC000072376716 176384971 /nfs/dbraw/zinc/38/49/71/176384971.db2.gz LATXTCYCTARWDT-CYBMUJFWSA-N 1 0 272.327 2.680 40 0 CFABRO Cc1ccc(Nc2nccc([C@H]3CCC[N@@H+](C)C3)n2)nc1 ZINC000072377375 176385764 /nfs/dbraw/zinc/38/57/64/176385764.db2.gz LJUGXJNLBITZRS-ZDUSSCGKSA-N 1 0 283.379 2.733 40 0 CFABRO Cc1cc(C(F)(F)F)nc(C2CC[NH+](C)CC2)n1 ZINC000072382225 176388429 /nfs/dbraw/zinc/38/84/29/176388429.db2.gz BYLBEIABTIOZRG-UHFFFAOYSA-N 1 0 259.275 2.613 40 0 CFABRO c1cncc(C[C@@H]2CCC[N@H+](Cc3ccncc3)C2)c1 ZINC000072385025 176389298 /nfs/dbraw/zinc/38/92/98/176389298.db2.gz DXCRRMMNHZAMCW-KRWDZBQOSA-N 1 0 267.376 2.931 40 0 CFABRO Fc1ccc(-c2cncc(C3CC[NH2+]CC3)n2)cc1F ZINC000072386774 176392121 /nfs/dbraw/zinc/39/21/21/176392121.db2.gz MHUXYBQLTIEHPL-UHFFFAOYSA-N 1 0 275.302 2.889 40 0 CFABRO Cc1ccc(C)c(C(=O)NCCC[NH+]2CCCCC2)c1 ZINC000072781858 176429481 /nfs/dbraw/zinc/42/94/81/176429481.db2.gz ULNRWFNDHDLSKO-UHFFFAOYSA-N 1 0 274.408 2.909 40 0 CFABRO CC(C)[C@H]([NH3+])C(=O)N(C)Cc1cccc(C(F)(F)F)c1 ZINC000079420989 177487903 /nfs/dbraw/zinc/48/79/03/177487903.db2.gz XVSJZWJFCLCDQB-LBPRGKRZSA-N 1 0 288.313 2.647 40 0 CFABRO [NH3+]CCN(Cc1cccc(Cl)c1Cl)C1CC1 ZINC000079420722 177487927 /nfs/dbraw/zinc/48/79/27/177487927.db2.gz DDBRVYAYCAESDG-UHFFFAOYSA-N 1 0 259.180 2.917 40 0 CFABRO CC(C)(C)OC(=O)N1CC2(C[NH2+]C2)c2ccc(Cl)cc21 ZINC000306145531 273499614 /nfs/dbraw/zinc/49/96/14/273499614.db2.gz HWOGCXLGMHWLBX-UHFFFAOYSA-N 1 0 294.782 2.936 40 0 CFABRO CCOC(=O)c1[nH]c2ccccc2c1C1CC[NH2+]CC1 ZINC000004202646 273691743 /nfs/dbraw/zinc/69/17/43/273691743.db2.gz BWMCGZQHMKYQIS-UHFFFAOYSA-N 1 0 272.348 2.812 40 0 CFABRO Clc1ccc(CN2C[C@H]3C[C@@H]2C[NH2+]3)cc1Cl ZINC000019796105 274881412 /nfs/dbraw/zinc/88/14/12/274881412.db2.gz QMHAFTBHMIHEOX-NXEZZACHSA-N 1 0 257.164 2.540 40 0 CFABRO CN(C)c1ncc(-c2ccccc2)c([C@@H]2CCC[NH2+]C2)n1 ZINC000257197686 276897277 /nfs/dbraw/zinc/89/72/77/276897277.db2.gz GLZCYFWJLVQIAY-CQSZACIVSA-N 1 0 282.391 2.677 40 0 CFABRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C2CCCC2)C1 ZINC000043323705 277186626 /nfs/dbraw/zinc/18/66/26/277186626.db2.gz SLQZVJMDTYZQFT-ZDUSSCGKSA-N 1 0 268.401 2.918 40 0 CFABRO CN1CCc2c1[nH+]c(-c1ccccc1)c1c2N(C)CC1 ZINC000001616082 277187172 /nfs/dbraw/zinc/18/71/72/277187172.db2.gz QVQFTJNZZABFBJ-UHFFFAOYSA-N 1 0 265.360 2.733 40 0 CFABRO C[C@@H](C[NH2+][C@H]1C[C@@H](c2ccccc2)C1(C)C)[S@@](C)=O ZINC000195565471 278287269 /nfs/dbraw/zinc/28/72/69/278287269.db2.gz HXSVPSZVPPTQOA-VFSPDHHESA-N 1 0 279.449 2.925 40 0 CFABRO CC(C)(C)OC(=O)N[C@H]1C[NH2+][C@@H](c2ccccc2)C1 ZINC000049581914 278444215 /nfs/dbraw/zinc/44/42/15/278444215.db2.gz NYHRWBNVAKQKGY-CHWSQXEVSA-N 1 0 262.353 2.614 40 0 CFABRO C[C@@H]1CCN(c2nc3cc(Cl)ccc3o2)CC[NH2+]1 ZINC000091692546 278559004 /nfs/dbraw/zinc/55/90/04/278559004.db2.gz RADJSLVGESASMK-SECBINFHSA-N 1 0 265.744 2.669 40 0 CFABRO Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCC[NH+](C)C)c1 ZINC000045584945 278796102 /nfs/dbraw/zinc/79/61/02/278796102.db2.gz BNJJZWTWADJUGI-CQSZACIVSA-N 1 0 292.423 2.564 40 0 CFABRO Cc1ccc(OC[C@@H](O)C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000007166521 278837161 /nfs/dbraw/zinc/83/71/61/278837161.db2.gz YQOVOYVJMBRRQX-JYJNAYRXSA-N 1 0 277.408 2.713 40 0 CFABRO NNc1[nH+]cc(C(Cl)(Cl)Cl)cc1Cl ZINC000199542974 279660369 /nfs/dbraw/zinc/66/03/69/279660369.db2.gz MMYPXPKUGDIICW-UHFFFAOYSA-N 1 0 260.939 2.847 40 0 CFABRO C[C@H]1CCN(c2nc3cc(Cl)ccc3o2)CC[NH2+]1 ZINC000091692547 279730275 /nfs/dbraw/zinc/73/02/75/279730275.db2.gz RADJSLVGESASMK-VIFPVBQESA-N 1 0 265.744 2.669 40 0 CFABRO Cc1cc(N)nc([C@]2(C)CCC[N@@H+]2C2CCCC2)n1 ZINC000072388357 301330616 /nfs/dbraw/zinc/33/06/16/301330616.db2.gz DTYKTJMZDBJTMT-HNNXBMFYSA-N 1 0 260.385 2.621 40 0 CFABRO Fc1cccc(-c2cc3ncc4c(n3n2)C[C@H]2CC[C@@H]4[NH2+]2)c1 ZINC000072398213 327110325 /nfs/dbraw/zinc/11/03/25/327110325.db2.gz LYKIWTOYPIJSDR-OCCSQVGLSA-N 1 0 294.333 2.885 40 0 CFABRO O[C@H]1CCCC[C@H]1[NH+]1CCC(Cc2nccs2)CC1 ZINC000257238038 327127507 /nfs/dbraw/zinc/12/75/07/327127507.db2.gz HJIPFWJKVQEDOW-KGLIPLIRSA-N 1 0 280.437 2.701 40 0 CFABRO Cc1ccc(C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)nc1 ZINC000257250262 327129362 /nfs/dbraw/zinc/12/93/62/327129362.db2.gz JLUJSJLOOPMYSQ-SJORKVTESA-N 1 0 274.408 2.873 40 0 CFABRO Cc1cc(C)nc(NCCC[NH2+]Cc2ccccc2C)n1 ZINC000062717869 333175987 /nfs/dbraw/zinc/17/59/87/333175987.db2.gz YSDNMBGZXAPAJP-UHFFFAOYSA-N 1 0 284.407 2.994 40 0 CFABRO c1nc(N2CCCC2)ncc1C[NH2+]C1CCCCCC1 ZINC000062717810 333176136 /nfs/dbraw/zinc/17/61/36/333176136.db2.gz OQOVIEZPIBJCHP-UHFFFAOYSA-N 1 0 274.412 2.889 40 0 CFABRO Cc1cc(N2CCc3ccccc3C2)nc(NC2CC2)[nH+]1 ZINC000242761789 525094910 /nfs/dbraw/zinc/09/49/10/525094910.db2.gz DMUZKOJXPPTVGS-UHFFFAOYSA-N 1 0 280.375 2.922 40 0 CFABRO CC(C)n1ccc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)n1 ZINC000096444353 528595179 /nfs/dbraw/zinc/59/51/79/528595179.db2.gz SVPHSOMHFYHSLV-SJORKVTESA-N 1 0 290.455 2.911 40 0 CFABRO [NH3+][C@@H](Cc1ccccc1)c1nnc(-c2ccc(F)cc2)[nH]1 ZINC000095534818 185008556 /nfs/dbraw/zinc/00/85/56/185008556.db2.gz XFMIYJLMQSWBML-AWEZNQCLSA-N 1 0 282.322 2.853 40 0 CFABRO c1cncc([C@H]2COC3(C2)CC[NH+](CC2CC2)CC3)c1 ZINC000096047784 185072362 /nfs/dbraw/zinc/07/23/62/185072362.db2.gz MRGUTOOQBFMAPF-MRXNPFEDSA-N 1 0 272.392 2.830 40 0 CFABRO Cc1cccc(CN2CC[C@@]3(CC[N@H+](CC4CC4)C3)C2=O)c1 ZINC000096050598 185074529 /nfs/dbraw/zinc/07/45/29/185074529.db2.gz APNMDVSXTJHSTC-LJQANCHMSA-N 1 0 298.430 2.829 40 0 CFABRO c1coc(C[N@H+]2CC[C@H]3[C@H]2CCN3Cc2cccnc2)c1 ZINC000096055834 185075372 /nfs/dbraw/zinc/07/53/72/185075372.db2.gz BWPMJWSUXHZEBA-DLBZAZTESA-N 1 0 283.375 2.523 40 0 CFABRO Fc1cccc(CN2C[C@@H]3C[NH+](CC4CC4)C[C@H]3C2)c1 ZINC000096053902 185076054 /nfs/dbraw/zinc/07/60/54/185076054.db2.gz OHHSYLQWTGNDPL-HOTGVXAUSA-N 1 0 274.383 2.599 40 0 CFABRO CCOC[C@]12CCCO[C@@H]1CC[N@H+](Cc1ccco1)C2 ZINC000096056788 185077494 /nfs/dbraw/zinc/07/74/94/185077494.db2.gz XKBHRIAJUFNVCY-HZPDHXFCSA-N 1 0 279.380 2.687 40 0 CFABRO c1coc(C[N@@H+]2CCc3ncnc(C4CC4)c3CC2)c1 ZINC000096058618 185079188 /nfs/dbraw/zinc/07/91/88/185079188.db2.gz OQHSYTRSOTXYPE-UHFFFAOYSA-N 1 0 269.348 2.548 40 0 CFABRO CCO[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1ccc(C)s1 ZINC000096057792 185079309 /nfs/dbraw/zinc/07/93/09/185079309.db2.gz PIDAICQSZSNKSF-RRFJBIMHSA-N 1 0 281.421 2.825 40 0 CFABRO COC[C@@H]1C[N@H+](Cc2ccc(C)s2)Cc2cn(C)nc21 ZINC000096059810 185081383 /nfs/dbraw/zinc/08/13/83/185081383.db2.gz UYGTYEYVDIFZKC-ZDUSSCGKSA-N 1 0 291.420 2.536 40 0 CFABRO O=C1C[C@@H]2[C@H](CC[N@@H+]2Cc2ccco2)N1c1ccsc1 ZINC000096110719 185100571 /nfs/dbraw/zinc/10/05/71/185100571.db2.gz LGDRNMAQTVMAGX-UONOGXRCSA-N 1 0 288.372 2.721 40 0 CFABRO COc1ccc(C[C@H]2C[N@@H+](CC3CC3)CC[C@@H]2OC)cc1 ZINC000096110580 185101101 /nfs/dbraw/zinc/10/11/01/185101101.db2.gz ZDQRJOPMOKZNJB-WMZOPIPTSA-N 1 0 289.419 2.985 40 0 CFABRO Fc1ccc2nc(C[NH2+]CCN3CCCC3)ccc2c1 ZINC000096836640 185115843 /nfs/dbraw/zinc/11/58/43/185115843.db2.gz POZDJNYLPZBQSU-UHFFFAOYSA-N 1 0 273.355 2.559 40 0 CFABRO CCNc1nc(N2Cc3ccccc3C[C@@H]2C)cc(CC)[nH+]1 ZINC000328967213 136377322 /nfs/dbraw/zinc/37/73/22/136377322.db2.gz CQXSGNJJXYRORS-ZDUSSCGKSA-N 1 0 296.418 2.844 40 0 CFABRO CC(C)(C)OC(=O)N[C@@H](CC[NH3+])c1ccccc1 ZINC000014628534 346234064 /nfs/dbraw/zinc/23/40/64/346234064.db2.gz UWVGACXUNLBOAQ-LBPRGKRZSA-N 1 0 250.342 2.601 40 0 CFABRO CC(C)[C@@H]([NH3+])c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000096510449 347702077 /nfs/dbraw/zinc/70/20/77/347702077.db2.gz OKGCQZMVWGAKHE-MRVPVSSYSA-N 1 0 258.247 2.633 40 0 CFABRO Fc1cccc(F)c1N1CC[NH2+][C@H]2CCCC[C@H]21 ZINC000218836062 348167784 /nfs/dbraw/zinc/16/77/84/348167784.db2.gz FHICKLROPSPFMF-QWHCGFSZSA-N 1 0 252.308 2.686 40 0 CFABRO Cc1cn2c(C[NH2+]Cc3ccccc3)cnc2s1 ZINC000256055253 348306025 /nfs/dbraw/zinc/30/60/25/348306025.db2.gz ZXMKHSUNLZETRG-UHFFFAOYSA-N 1 0 257.362 2.994 40 0 CFABRO CC(C)(C)OC(=O)Cc1ccc(C[NH2+]C2CC2)cc1 ZINC000409431416 348601496 /nfs/dbraw/zinc/60/14/96/348601496.db2.gz JXWZOJJDPLPXJH-UHFFFAOYSA-N 1 0 261.365 2.823 40 0 CFABRO Cc1ccc(Cl)c(OC[C@]2(O)CCC[NH2+]CC2)c1 ZINC000399513382 348569446 /nfs/dbraw/zinc/56/94/46/348569446.db2.gz LPQXATKEGNWPTM-AWEZNQCLSA-N 1 0 269.772 2.532 40 0 CFABRO CC(C)(C)OC(=O)N[C@@]12CC[C@@](C[NH3+])(C1)CCC2 ZINC000575624018 348670269 /nfs/dbraw/zinc/67/02/69/348670269.db2.gz URKWXHSEQLORSW-KGLIPLIRSA-N 1 0 254.374 2.563 40 0 CFABRO Cc1ccc2[nH]c(=O)c(C[NH2+][C@H]3CCCC[C@@H]3O)cc2c1 ZINC000585292682 348738757 /nfs/dbraw/zinc/73/87/57/348738757.db2.gz NGTPVBFZXWENIL-HOTGVXAUSA-N 1 0 286.375 2.642 40 0 CFABRO c1cnc(N2CC[C@H]3[C@H](C[N@H+]3CC3CCCCC3)C2)nc1 ZINC000585107990 348734347 /nfs/dbraw/zinc/73/43/47/348734347.db2.gz QKXAMHGROVEQJB-HOTGVXAUSA-N 1 0 286.423 2.567 40 0 CFABRO CC(C)[NH+]1CC2(C1)C[C@@H](Oc1ncccc1F)CS2 ZINC000585105358 348734429 /nfs/dbraw/zinc/73/44/29/348734429.db2.gz UZCXTJSCYVGWAI-LLVKDONJSA-N 1 0 282.384 2.568 40 0 CFABRO CC1CC(C(=O)N2CCC3(CCCC[N@@H+]3C)CC2)C1 ZINC000585102464 348734495 /nfs/dbraw/zinc/73/44/95/348734495.db2.gz UCHFRPWHZDZJAO-UHFFFAOYSA-N 1 0 264.413 2.509 40 0 CFABRO Cc1ccc(C(=O)N2CCC[C@]3(CC[N@H+]3C)C2)c(C)c1 ZINC000585102376 348734687 /nfs/dbraw/zinc/73/46/87/348734687.db2.gz YPRZPJTVLCJTST-KRWDZBQOSA-N 1 0 272.392 2.614 40 0 CFABRO Fc1ccccc1Cn1cc(C2CC[NH2+]CC2)cn1 ZINC000585142914 348737029 /nfs/dbraw/zinc/73/70/29/348737029.db2.gz MYPHHQILEOTTAQ-UHFFFAOYSA-N 1 0 259.328 2.538 40 0 CFABRO c1nn(CCc2ccccc2)cc1C1CC[NH2+]CC1 ZINC000585143047 348737109 /nfs/dbraw/zinc/73/71/09/348737109.db2.gz POJLBHPJZQRSOK-UHFFFAOYSA-N 1 0 255.365 2.593 40 0 CFABRO Fc1ccc(Cn2cc(C3CC[NH2+]CC3)cn2)cc1 ZINC000585142865 348737237 /nfs/dbraw/zinc/73/72/37/348737237.db2.gz JPZHWFSBNKIAQT-UHFFFAOYSA-N 1 0 259.328 2.538 40 0 CFABRO C[N@@H+]1CCCC[C@H](CNC(=O)NC[C@@H]2CCC[C@@H](F)C2)C1 ZINC000685939057 539988431 /nfs/dbraw/zinc/98/84/31/539988431.db2.gz BXMBZPLOZWNGCA-RBSFLKMASA-N 1 0 299.434 2.546 40 0 CFABRO CN1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3[NH2+][C@H]2Cc1ccccc1 ZINC000257250350 283261728 /nfs/dbraw/zinc/26/17/28/283261728.db2.gz JMEHRFDHLFGCOF-IECFSIQFSA-N 1 0 270.420 2.832 40 0 CFABRO O[C@](Cc1ccccc1)(C1CCCCC1)[C@H]1C[NH2+]CCO1 ZINC000242687268 541005821 /nfs/dbraw/zinc/00/58/21/541005821.db2.gz UCXZRTLZAKLHBM-QZTJIDSGSA-N 1 0 289.419 2.529 40 0 CFABRO OC[C@@H]1CC[N@@H+]1C(c1ccccc1)c1ccccc1 ZINC000001756999 371706846 /nfs/dbraw/zinc/70/68/46/371706846.db2.gz ZQFMLZHAZJYUOD-INIZCTEOSA-N 1 0 253.345 2.843 40 0 CFABRO C[NH+](C)CCSCC(=O)Nc1ccccc1Cl ZINC000001587102 371685249 /nfs/dbraw/zinc/68/52/49/371685249.db2.gz NXBCTRCHXFWOQX-UHFFFAOYSA-N 1 0 272.801 2.573 40 0 CFABRO CC[NH+](CC)CCOC(=O)c1c[nH]c2ccccc21 ZINC000001620729 371688924 /nfs/dbraw/zinc/68/89/24/371688924.db2.gz RUSMTRSNLRPIRK-UHFFFAOYSA-N 1 0 260.337 2.667 40 0 CFABRO C/C=C/[C@@](O)(C(=O)OC1CC[NH+](C)CC1)C1CCCCC1 ZINC000001640732 371690265 /nfs/dbraw/zinc/69/02/65/371690265.db2.gz MGXDQTQGWGFXKM-KONMPUBISA-N 1 0 295.423 2.511 40 0 CFABRO CC/C=C/[C@](O)(C(=O)OC1CC[NH+](C)CC1)C1CCCC1 ZINC000001640747 371690430 /nfs/dbraw/zinc/69/04/30/371690430.db2.gz KZQMQKXFKZZRSP-DPTHPHEISA-N 1 0 295.423 2.511 40 0 CFABRO C[C@H](O)C[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000001666283 371694013 /nfs/dbraw/zinc/69/40/13/371694013.db2.gz JXHMGLPMZUHEPR-WMLDXEAASA-N 1 0 255.361 2.941 40 0 CFABRO O=C(CC[n+]1ccncc1)c1ccc2ccccc2c1 ZINC000001667279 371694038 /nfs/dbraw/zinc/69/40/38/371694038.db2.gz ZSRSEVAHLGXRTM-UHFFFAOYSA-N 1 0 263.320 2.795 40 0 CFABRO CC[n+]1ccccc1/C=C/c1ccc(O)c(OC)c1 ZINC000001665092 371694047 /nfs/dbraw/zinc/69/40/47/371694047.db2.gz QFMYOVANVGKGKS-UHFFFAOYSA-O 1 0 256.325 2.879 40 0 CFABRO Cc1ccc(NC(=O)C[NH2+]CC(C)C)cc1Cl ZINC000001671416 371695561 /nfs/dbraw/zinc/69/55/61/371695561.db2.gz FKEPQFAHUOEBJK-UHFFFAOYSA-N 1 0 254.761 2.833 40 0 CFABRO CC[C@@H](OC[C@H](O)C[NH+]1CCCC1)c1ccccc1 ZINC000002694616 371746132 /nfs/dbraw/zinc/74/61/32/371746132.db2.gz NMHSHAPLNHLFCO-HZPDHXFCSA-N 1 0 263.381 2.611 40 0 CFABRO [NH3+][C@H](c1ccncc1)c1ccc(Br)cc1 ZINC000011737342 371927000 /nfs/dbraw/zinc/92/70/00/371927000.db2.gz IBQJLEZOJQAQTL-LBPRGKRZSA-N 1 0 263.138 2.892 40 0 CFABRO O=C(OC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccccc1O ZINC000013424959 372026642 /nfs/dbraw/zinc/02/66/42/372026642.db2.gz FPBZOZUALKCMGP-ZFWWWQNUSA-N 1 0 289.375 2.814 40 0 CFABRO COCc1ccc(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)o1 ZINC000013568223 372034470 /nfs/dbraw/zinc/03/44/70/372034470.db2.gz VNYDKHHKVGBFDB-CZUORRHYSA-N 1 0 279.380 2.553 40 0 CFABRO c1ccc(-c2nn[nH]c2C[NH2+]C2CCCCC2)cc1 ZINC000016491752 372108940 /nfs/dbraw/zinc/10/89/40/372108940.db2.gz MHNUCOOWRLKAJK-UHFFFAOYSA-N 1 0 256.353 2.894 40 0 CFABRO Cc1cccc(-c2noc([C@@H]3C[C@@H](O)C[N@@H+]3CC3CC3)n2)c1 ZINC000015674414 372089474 /nfs/dbraw/zinc/08/94/74/372089474.db2.gz AOXDUVDIPPZGGB-CABCVRRESA-N 1 0 299.374 2.563 40 0 biogenic,in-vitro CFABRO Cc1cccc(-c2noc([C@@H]3C[C@@H](O)C[N@H+]3C(C)C)n2)c1 ZINC000015674402 372090194 /nfs/dbraw/zinc/09/01/94/372090194.db2.gz SOHGLTFRTGJLEC-KGLIPLIRSA-N 1 0 287.363 2.561 40 0 biogenic,in-vitro CFABRO CC(C)(C)c1noc([C@H]2CC[N@H+](Cc3cccnc3)C2)n1 ZINC000019084663 372147785 /nfs/dbraw/zinc/14/77/85/372147785.db2.gz ZLFWAVBSZVBQDP-ZDUSSCGKSA-N 1 0 286.379 2.752 40 0 CFABRO C[C@H]1CCC[N@H+](Cc2ccnc(-c3cccnc3)n2)C1 ZINC000019496573 372168200 /nfs/dbraw/zinc/16/82/00/372168200.db2.gz ZPWSVYDCLXMRRH-ZDUSSCGKSA-N 1 0 268.364 2.771 40 0 CFABRO CC[C@@H](Oc1ccccc1Cl)C(=O)NCCC[NH+](C)C ZINC000020049432 372223029 /nfs/dbraw/zinc/22/30/29/372223029.db2.gz CVBDXEFUDIRWAD-CYBMUJFWSA-N 1 0 298.814 2.565 40 0 CFABRO CCOP(=O)(OCC)[C@H]([NH3+])c1ccc(OC)cc1 ZINC000031938879 372423924 /nfs/dbraw/zinc/42/39/24/372423924.db2.gz LUCBUBZCLGCAFD-LBPRGKRZSA-N 1 0 273.269 2.919 40 0 CFABRO C[C@H]1[C@H]([NH3+])CN1C(c1ccccc1)c1ccccc1 ZINC000034384360 372508659 /nfs/dbraw/zinc/50/86/59/372508659.db2.gz CJCQBRZYAQTEOO-XJKSGUPXSA-N 1 0 252.361 2.807 40 0 CFABRO CCc1ccc(NC(=O)COc2cccc(C[NH3+])c2)cc1 ZINC000036720762 372586623 /nfs/dbraw/zinc/58/66/23/372586623.db2.gz RVTXHURUOUETIF-UHFFFAOYSA-N 1 0 284.359 2.725 40 0 CFABRO COCCC[NH2+]Cc1cccn1Cc1ccc(C)cc1 ZINC000037696239 372690604 /nfs/dbraw/zinc/69/06/04/372690604.db2.gz HFHNTVGUIBUTIU-UHFFFAOYSA-N 1 0 272.392 2.971 40 0 CFABRO Cc1cc(OCCN2CCC[NH2+]CC2)cc(C)c1Cl ZINC000041440102 372837613 /nfs/dbraw/zinc/83/76/13/372837613.db2.gz XXDJMLCACAVWJM-UHFFFAOYSA-N 1 0 282.815 2.631 40 0 CFABRO Cc1n(C)c2ccccc2[n+]1C(F)(F)Br ZINC000043879550 372997327 /nfs/dbraw/zinc/99/73/27/372997327.db2.gz IDEHXDDVGLAGRO-UHFFFAOYSA-N 1 0 276.104 2.676 40 0 CFABRO CC(C)CC[N@@H+]1CC[C@H](c2nnc(-c3ccncc3)o2)C1 ZINC000049169587 373273014 /nfs/dbraw/zinc/27/30/14/373273014.db2.gz FRXPXTQWMWHWAD-AWEZNQCLSA-N 1 0 286.379 2.967 40 0 biogenic,in-vitro CFABRO C[N@@H+]1CC[C@H](c2nnc(Cc3c[nH]c4ccccc34)o2)C1 ZINC000049169752 373273101 /nfs/dbraw/zinc/27/31/01/373273101.db2.gz OSTSSIVHAKPLAD-NSHDSACASA-N 1 0 282.347 2.561 40 0 biogenic,in-vitro CFABRO CC(C)[N@H+](CCO)Cc1ccccc1Br ZINC000049826151 373318752 /nfs/dbraw/zinc/31/87/52/373318752.db2.gz JVYBMSOQYQPDCA-UHFFFAOYSA-N 1 0 272.186 2.652 40 0 CFABRO C[C@@H]1C[NH2+]CCN1Cc1ccc(Cl)c(Cl)c1 ZINC000054372575 373523387 /nfs/dbraw/zinc/52/33/87/373523387.db2.gz VVGBFBOFYWEASV-SECBINFHSA-N 1 0 259.180 2.787 40 0 CFABRO COc1cccc(C[NH2+]CC(=O)N2[C@@H](C)CCC[C@@H]2C)c1 ZINC000057466987 373594342 /nfs/dbraw/zinc/59/43/42/373594342.db2.gz MJPOGXNGYJYFPQ-KBPBESRZSA-N 1 0 290.407 2.574 40 0 CFABRO Fc1ccc([C@@H]2C[N@H+](Cc3ccccc3)CCN2)cc1 ZINC000056894873 373573447 /nfs/dbraw/zinc/57/34/47/373573447.db2.gz SMWIICFQVYKFRT-KRWDZBQOSA-N 1 0 270.351 2.972 40 0 CFABRO C[C@@H]1CCC[N@H+](CCCNC(=O)NC2CCCCC2)C1 ZINC000060894506 373706186 /nfs/dbraw/zinc/70/61/86/373706186.db2.gz YQQOOXGHECOKRS-CQSZACIVSA-N 1 0 281.444 2.740 40 0 CFABRO CC[C@H](C)Oc1ccc(C[NH2+]CCOC)cc1OC ZINC000062731920 373765336 /nfs/dbraw/zinc/76/53/36/373765336.db2.gz JDQNHLZZXAJIEO-LBPRGKRZSA-N 1 0 267.369 2.609 40 0 CFABRO CC(C)(C)OC(=O)N1CCC[NH2+][C@H](c2ccccc2)C1 ZINC000066348119 373925862 /nfs/dbraw/zinc/92/58/62/373925862.db2.gz ZBGZCHPIZQCUQC-AWEZNQCLSA-N 1 0 276.380 2.958 40 0 CFABRO Cc1cccc(NC(=O)CC2CC[NH+](C)CC2)c1C ZINC000074920991 374447282 /nfs/dbraw/zinc/44/72/82/374447282.db2.gz JJSVEYHZIXQAFK-UHFFFAOYSA-N 1 0 260.381 2.974 40 0 CFABRO CC(C)[N@H+](CCO)C[C@H]1CCCCN1Cc1ccccc1 ZINC000079394011 374607429 /nfs/dbraw/zinc/60/74/29/374607429.db2.gz CTDPVZTYXGLOQM-GOSISDBHSA-N 1 0 290.451 2.744 40 0 CFABRO OCC[NH2+][C@H]1CCCC[C@@H]1N(Cc1ccccc1)C1CC1 ZINC000079414447 374610016 /nfs/dbraw/zinc/61/00/16/374610016.db2.gz NCPOXUMGAARBKR-ROUUACIJSA-N 1 0 288.435 2.544 40 0 CFABRO CC(C)N(Cc1ccccc1)[C@@H]1CCCC[C@@H]1[NH2+]CCO ZINC000079414332 374610319 /nfs/dbraw/zinc/61/03/19/374610319.db2.gz STFFLKBXHRZMAC-ZWKOTPCHSA-N 1 0 290.451 2.790 40 0 CFABRO C[C@H](c1cccc(Cl)c1)N(C(=O)[C@H](C)[NH3+])C1CC1 ZINC000079421235 374610360 /nfs/dbraw/zinc/61/03/60/374610360.db2.gz RDUONKUAOXUNKB-VHSXEESVSA-N 1 0 266.772 2.739 40 0 CFABRO CC(C)N(Cc1c(F)cccc1Cl)C(=O)[C@H](C)[NH3+] ZINC000079420305 374610730 /nfs/dbraw/zinc/61/07/30/374610730.db2.gz YNXOAGMQEDUGGT-VIFPVBQESA-N 1 0 272.751 2.563 40 0 CFABRO O=C(NC1CCC([NH2+]C2CC2)CC1)OCc1ccccc1 ZINC000079437298 374612041 /nfs/dbraw/zinc/61/20/41/374612041.db2.gz VDKAZZIEOSJCOC-UHFFFAOYSA-N 1 0 288.391 2.976 40 0 CFABRO [NH3+]C[C@H](CCO)C1c2ccccc2-c2ccccc21 ZINC000085388787 374802712 /nfs/dbraw/zinc/80/27/12/374802712.db2.gz ULBBLUVDQRJFSJ-LBPRGKRZSA-N 1 0 253.345 2.756 40 0 CFABRO COc1c(C)cc(-c2noc([C@H]3CCC[NH2+]C3)n2)cc1C ZINC000095095378 375414497 /nfs/dbraw/zinc/41/44/97/375414497.db2.gz DREPSMOMOLBJMU-LBPRGKRZSA-N 1 0 287.363 2.829 40 0 CFABRO CC(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)c1cccs1 ZINC000096184295 375475727 /nfs/dbraw/zinc/47/57/27/375475727.db2.gz CFOJRPVUWKYOCB-QWHCGFSZSA-N 1 0 278.421 2.693 40 0 CFABRO c1cc(C[N@H+]2C[C@@H]3COC[C@]3(COCC3CCC3)C2)co1 ZINC000096209398 375476857 /nfs/dbraw/zinc/47/68/57/375476857.db2.gz VKLGIQJYXQZTQQ-IAGOWNOFSA-N 1 0 291.391 2.545 40 0 CFABRO COCC[N@@H+]1CCC[C@]12CCCN(Cc1ccc(C)o1)C2 ZINC000096203222 375477177 /nfs/dbraw/zinc/47/71/77/375477177.db2.gz FEHYIHOEKAXMNY-KRWDZBQOSA-N 1 0 292.423 2.665 40 0 CFABRO CCO[C@H]1CC[N@H+](Cc2cnn(C)c2)[C@H]1Cc1ccccc1 ZINC000096200394 375477675 /nfs/dbraw/zinc/47/76/75/375477675.db2.gz UIXJEDHFEHPISR-ROUUACIJSA-N 1 0 299.418 2.642 40 0 CFABRO CCO[C@@H]1CC[N@H+](Cc2ccc(C)s2)[C@H]2CCO[C@@H]21 ZINC000096218594 375479051 /nfs/dbraw/zinc/47/90/51/375479051.db2.gz JSLMFMWURCDCNS-ZNMIVQPWSA-N 1 0 281.421 2.825 40 0 CFABRO C[NH+]1CCC2(C=C(C(=O)N3CCCC3)c3ccccc32)CC1 ZINC000096241614 375481497 /nfs/dbraw/zinc/48/14/97/375481497.db2.gz IITWSPUQAWQWOA-UHFFFAOYSA-N 1 0 296.414 2.669 40 0 CFABRO COc1cccc(CN2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000096268570 375483443 /nfs/dbraw/zinc/48/34/43/375483443.db2.gz XAGFZMNLSNXKAI-KRWDZBQOSA-N 1 0 274.408 2.613 40 0 CFABRO COc1ccc(CN2CCC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000096268545 375484222 /nfs/dbraw/zinc/48/42/22/375484222.db2.gz NHFAWALQZBGJNW-KRWDZBQOSA-N 1 0 274.408 2.613 40 0 CFABRO CCCn1nc(C)cc1C[NH2+]CCc1ccccc1 ZINC000256054016 190005033 /nfs/dbraw/zinc/00/50/33/190005033.db2.gz UQDSCVMSLAHYGL-UHFFFAOYSA-N 1 0 257.381 2.934 40 0 CFABRO CC(C)c1cc(C[NH2+]Cc2cccc(F)c2)n(C)n1 ZINC000256054689 190005351 /nfs/dbraw/zinc/00/53/51/190005351.db2.gz XJIRQNUSGCIPPM-UHFFFAOYSA-N 1 0 261.344 2.972 40 0 CFABRO Cn1nc(C(F)(F)F)cc1C[NH2+]Cc1ccccc1 ZINC000256050074 190003034 /nfs/dbraw/zinc/00/30/34/190003034.db2.gz CNFCFPRDVTUJAM-UHFFFAOYSA-N 1 0 269.270 2.729 40 0 CFABRO CC(C)Cn1ccc(C[NH2+]CCc2ccccc2)n1 ZINC000256050284 190003224 /nfs/dbraw/zinc/00/32/24/190003224.db2.gz DMCUEXMEMXRWPR-UHFFFAOYSA-N 1 0 257.381 2.871 40 0 CFABRO CC(C)Cn1cc(C[NH2+]Cc2cnn(CC(C)C)c2)cn1 ZINC000256050710 190003245 /nfs/dbraw/zinc/00/32/45/190003245.db2.gz GEXWHZUFUJGWKX-UHFFFAOYSA-N 1 0 289.427 2.681 40 0 CFABRO CC(C)Cn1nccc1C[NH2+]Cc1ccc(F)cc1 ZINC000256049875 190003360 /nfs/dbraw/zinc/00/33/60/190003360.db2.gz BUXMQEBSHWMETJ-UHFFFAOYSA-N 1 0 261.344 2.968 40 0 CFABRO Cc1c(C[NH2+]Cc2cc(C3CC3)nn2C(C)C)cnn1C ZINC000256052673 190004462 /nfs/dbraw/zinc/00/44/62/190004462.db2.gz OGMJGDRQYKLHDY-UHFFFAOYSA-N 1 0 287.411 2.673 40 0 CFABRO Cc1cc(Oc2ccccc2C)nc([C@@H]2CC[NH2+]C2)n1 ZINC000257197879 190009990 /nfs/dbraw/zinc/00/99/90/190009990.db2.gz LZVJDLNFPOCBNR-CYBMUJFWSA-N 1 0 269.348 2.963 40 0 CFABRO COc1cccc(-c2cncc([C@@H]3CCC[NH2+]C3)n2)c1 ZINC000257198157 190010937 /nfs/dbraw/zinc/01/09/37/190010937.db2.gz VAXOTRYBYSXQQU-CYBMUJFWSA-N 1 0 269.348 2.619 40 0 CFABRO Cc1cccc(CN2C(=O)CCCC[C@@H]3[NH2+]CC[C@H]32)c1 ZINC000257207258 190011705 /nfs/dbraw/zinc/01/17/05/190011705.db2.gz BHAIHEAVKXDUPR-JKSUJKDBSA-N 1 0 272.392 2.628 40 0 CFABRO Cc1cccnc1Nc1nccc(C2CC[NH+](C)CC2)n1 ZINC000257214858 190013508 /nfs/dbraw/zinc/01/35/08/190013508.db2.gz CNSNVTBYVKJTQA-UHFFFAOYSA-N 1 0 283.379 2.733 40 0 CFABRO CCc1nc(C)c(C[N@@H+]2CCC[C@@H](c3n[nH]cc3C)C2)[nH]1 ZINC000257216257 190013842 /nfs/dbraw/zinc/01/38/42/190013842.db2.gz CTSJOXXEHIYPNV-CYBMUJFWSA-N 1 0 287.411 2.692 40 0 CFABRO Cc1cc(C)nc([C@H]2CC[N@H+](CCOc3ccccc3)C2)n1 ZINC000257231435 190015842 /nfs/dbraw/zinc/01/58/42/190015842.db2.gz GGQSPZRKXDLPGQ-INIZCTEOSA-N 1 0 297.402 2.962 40 0 CFABRO CC(C)[N@@H+]1CCC[C@@H](Cc2nccnc2-c2cn[nH]c2)C1 ZINC000257221177 190014313 /nfs/dbraw/zinc/01/43/13/190014313.db2.gz DNUYGZOKYRMSKN-ZDUSSCGKSA-N 1 0 285.395 2.530 40 0 CFABRO Cc1nc(Nc2ccccn2)cc([C@@H]2CCCC[NH2+]2)n1 ZINC000257223463 190014797 /nfs/dbraw/zinc/01/47/97/190014797.db2.gz DXLUMQSAZHIDRK-LBPRGKRZSA-N 1 0 269.352 2.738 40 0 CFABRO CCCn1nccc1-c1cc(C)nc([C@H]2CCCC[NH2+]2)n1 ZINC000257241173 190018411 /nfs/dbraw/zinc/01/84/11/190018411.db2.gz HWXMXUDGUVNCJE-CYBMUJFWSA-N 1 0 285.395 2.873 40 0 CFABRO c1ccc(Nc2cccc([C@@H]3CCC[NH2+]C3)n2)nc1 ZINC000257251526 190020048 /nfs/dbraw/zinc/02/00/48/190020048.db2.gz JRCSUMWHSCPIQJ-GFCCVEGCSA-N 1 0 254.337 2.687 40 0 CFABRO c1ccc(CCNc2cccc([C@H]3CCC[NH2+]3)n2)nc1 ZINC000257256875 190021270 /nfs/dbraw/zinc/02/12/70/190021270.db2.gz KNGQQGRZPUJBHM-CQSZACIVSA-N 1 0 268.364 2.556 40 0 CFABRO Cc1cnc(C2(C)CC[NH+](Cc3cnn(C)c3)CC2)s1 ZINC000257258932 190021565 /nfs/dbraw/zinc/02/15/65/190021565.db2.gz KWDDVQCCGPQZSZ-UHFFFAOYSA-N 1 0 290.436 2.739 40 0 CFABRO CC(C)[N@@H+]1CCC[C@@H](Cc2cnc(-c3cc[nH]n3)cn2)C1 ZINC000257265277 190022816 /nfs/dbraw/zinc/02/28/16/190022816.db2.gz LXYUPKLWGKUZEJ-ZDUSSCGKSA-N 1 0 285.395 2.530 40 0 CFABRO Cc1cc(-c2ccc(C[C@@H]3CCC[N@@H+](C)C3)cn2)n[nH]1 ZINC000257287446 190026903 /nfs/dbraw/zinc/02/69/03/190026903.db2.gz PQAINDGHXRLAGW-AWEZNQCLSA-N 1 0 270.380 2.664 40 0 CFABRO c1cc([C@H]2CC[N@@H+](Cc3ccc4ccccc4n3)C2)n[nH]1 ZINC000257287946 190027135 /nfs/dbraw/zinc/02/71/35/190027135.db2.gz PSDSMKOVEHPFMW-AWEZNQCLSA-N 1 0 278.359 2.947 40 0 CFABRO Cc1cccnc1Nc1cccc([C@@H]2CCC[NH2+]C2)n1 ZINC000257292683 190027618 /nfs/dbraw/zinc/02/76/18/190027618.db2.gz QMOJXJGHTLELET-CYBMUJFWSA-N 1 0 268.364 2.996 40 0 CFABRO Cc1c(C[N@@H+]2CCC[C@@H](Cc3cccc(C)n3)C2)cnn1C ZINC000257291787 190027863 /nfs/dbraw/zinc/02/78/63/190027863.db2.gz QIPRWENYUQMMJM-INIZCTEOSA-N 1 0 298.434 2.887 40 0 CFABRO c1cncc(O[C@@H]2CC[C@@H]3C[N@@H+](CC4CC4)C[C@H]23)c1 ZINC000257340622 190037151 /nfs/dbraw/zinc/03/71/51/190037151.db2.gz ZGXQUJTUBGOLSE-VNQPRFMTSA-N 1 0 258.365 2.581 40 0 CFABRO Cc1c[nH]c([C@@H]2CC[N@H+](CCOc3ccc(F)cc3)C2)n1 ZINC000257344923 190037717 /nfs/dbraw/zinc/03/77/17/190037717.db2.gz ZZGKFXQFVUJXHT-CYBMUJFWSA-N 1 0 289.354 2.726 40 0 CFABRO CCNc1nc(N2CCc3ccccc3C2)cc(C)[nH+]1 ZINC000127671466 377295193 /nfs/dbraw/zinc/29/51/93/377295193.db2.gz GBXSNLARPAIQQB-UHFFFAOYSA-N 1 0 268.364 2.780 40 0 CFABRO C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)OCc1ccccc1 ZINC000306145810 382453503 /nfs/dbraw/zinc/45/35/03/382453503.db2.gz QXNYDGDGCRFDBF-MQVJKMGUSA-N 1 0 288.391 2.928 40 0 CFABRO O=C1NC[C@H](C[NH+](Cc2ccccc2)Cc2ccccc2)O1 ZINC000202547184 382773049 /nfs/dbraw/zinc/77/30/49/382773049.db2.gz GIRPMUCDUGOEJF-QGZVFWFLSA-N 1 0 296.370 2.797 40 0 CFABRO CCC[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]1 ZINC000217781824 382787965 /nfs/dbraw/zinc/78/79/65/382787965.db2.gz HWUVXOQVFBHOEH-VXGBXAGGSA-N 1 0 256.390 2.679 40 0 CFABRO COCCC[NH2+]Cc1cccn1-c1ccccc1OC ZINC000223688135 382806103 /nfs/dbraw/zinc/80/61/03/382806103.db2.gz VGQBETHPLYYTGX-UHFFFAOYSA-N 1 0 274.364 2.612 40 0 CFABRO COCCC[NH2+]Cc1cccn1-c1cccc(C)c1 ZINC000223680039 382806176 /nfs/dbraw/zinc/80/61/76/382806176.db2.gz LEWGYBZBECQQEA-UHFFFAOYSA-N 1 0 258.365 2.912 40 0 CFABRO Cc1cc(C)c(C(=O)NCCC[NH+]2CCCC2)cc1C ZINC000225645937 382819796 /nfs/dbraw/zinc/81/97/96/382819796.db2.gz NSYPQAQSSPHVRM-UHFFFAOYSA-N 1 0 274.408 2.828 40 0 CFABRO Cc1ccc(C[NH+]2CCC(CO)CC2)c(Cl)c1 ZINC000235870249 382889704 /nfs/dbraw/zinc/88/97/04/382889704.db2.gz ZRYSXKBXIUSACP-UHFFFAOYSA-N 1 0 253.773 2.853 40 0 CFABRO COCC[C@H]1CCOC12CN(Cc1cc(C)ccc1C)C2 ZINC000247918807 383200056 /nfs/dbraw/zinc/20/00/56/383200056.db2.gz ZYRRDWCNIQEKSG-KRWDZBQOSA-N 1 0 289.419 2.931 40 0 CFABRO COC[C@@H]1CC[N@H+](C)C2(CN(Cc3ccccc3C)C2)C1 ZINC000248159735 383215719 /nfs/dbraw/zinc/21/57/19/383215719.db2.gz XBMCRFJYKIMYOE-MRXNPFEDSA-N 1 0 288.435 2.538 40 0 CFABRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)[NH2+]2 ZINC000254286887 383465799 /nfs/dbraw/zinc/46/57/99/383465799.db2.gz OVXDMFYUNZUGHD-OHTBPHCPSA-N 1 0 266.385 2.526 40 0 CFABRO Cc1nc(C2CCN(c3ccccn3)CC2)cc2c[nH+]cn21 ZINC000257338334 383495450 /nfs/dbraw/zinc/49/54/50/383495450.db2.gz YWXYLASWOHLFDN-UHFFFAOYSA-N 1 0 293.374 2.817 40 0 CFABRO CCO[C@H]1COC2(C1)CC[NH+](Cc1cccc(F)c1)CC2 ZINC000096220603 256826833 /nfs/dbraw/zinc/82/68/33/256826833.db2.gz XGRMODUKDWRDOL-MRXNPFEDSA-N 1 0 293.382 2.986 40 0 CFABRO [NH3+]C[C@H](O)c1c2ccccc2[nH]c1-c1ccccc1 ZINC000095098370 184945028 /nfs/dbraw/zinc/94/50/28/184945028.db2.gz MBKCRQFWZZFDAD-AWEZNQCLSA-N 1 0 252.317 2.827 40 0 CFABRO [NH3+]CCSc1ccc2c(c1)CCC(=O)N2CC1CCC1 ZINC000218812350 130771208 /nfs/dbraw/zinc/77/12/08/130771208.db2.gz OAJSCOIFDNVMNY-UHFFFAOYSA-N 1 0 290.432 2.817 40 0 CFABRO c1cnc(N2CCC3(C=C[C@@H]([NH+]4CCCC4)CC3)CC2)nc1 ZINC000096240263 285543665 /nfs/dbraw/zinc/54/36/65/285543665.db2.gz ZVVWHQAPQHUBFC-MRXNPFEDSA-N 1 0 298.434 2.878 40 0 CFABRO FC(F)(F)c1cccc(-c2n[nH]c(C3CC[NH2+]CC3)n2)c1 ZINC000064875552 393630781 /nfs/dbraw/zinc/63/07/81/393630781.db2.gz LEHSBMVAIFZZCN-UHFFFAOYSA-N 1 0 296.296 2.958 40 0 CFABRO CC(C)C[N@@H+]1CCC[C@@H]1c1ccc(N2CCOCC2)nc1 ZINC000072216165 393645296 /nfs/dbraw/zinc/64/52/96/393645296.db2.gz CYWNRTMOAODLSW-MRXNPFEDSA-N 1 0 289.423 2.711 40 0 CFABRO CN1CC[C@H]([NH2+]C2CC2)c2cc(Cl)ccc2C1 ZINC000096510460 393835103 /nfs/dbraw/zinc/83/51/03/393835103.db2.gz SXLMTTGGODEZDB-AWEZNQCLSA-N 1 0 250.773 2.969 40 0 CFABRO COC[C@@H]1C[N@H+](Cc2ccc(C)s2)Cc2cnn(C)c21 ZINC000096060012 393815972 /nfs/dbraw/zinc/81/59/72/393815972.db2.gz XZHSTAAGGRYQPN-ZDUSSCGKSA-N 1 0 291.420 2.536 40 0 CFABRO CC(C)CC[N@@H+]1C[C@@H]2C[C@H]1C(=O)Nc1ccccc1O2 ZINC000096111767 393816094 /nfs/dbraw/zinc/81/60/94/393816094.db2.gz OEFGAPMWQVSMRB-JSGCOSHPSA-N 1 0 274.364 2.507 40 0 biogenic,in-vitro CFABRO CN(C)C(=O)NC1CC2(C1)CC[NH+](CC1CCCC1)CC2 ZINC000108536693 393875257 /nfs/dbraw/zinc/87/52/57/393875257.db2.gz NKKRWHBNZICKRJ-UHFFFAOYSA-N 1 0 293.455 2.692 40 0 CFABRO C[N@@H+]1CCC[C@H]2N(C(=O)OC(C)(C)C)CCC[C@@]21C ZINC000254286870 393942649 /nfs/dbraw/zinc/94/26/49/393942649.db2.gz MFURMCJSPLMXDW-DOMZBBRYSA-N 1 0 268.401 2.870 40 0 CFABRO CC[N@@H+]1CCC[C@@]2(CN(CC3CCCCC3)C2=O)C1 ZINC000585099295 395100180 /nfs/dbraw/zinc/10/01/80/395100180.db2.gz CBBBMIKESFWHBY-INIZCTEOSA-N 1 0 264.413 2.511 40 0 CFABRO OCC[NH2+]C[C@@H]1COC2(CCCCCCCCCCC2)O1 ZINC000003141610 296545494 /nfs/dbraw/zinc/54/54/94/296545494.db2.gz UMZNBWMCHMFBEZ-MRXNPFEDSA-N 1 0 299.455 2.985 40 0 CFABRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]([NH3+])C(C)(C)C ZINC000072208648 397590500 /nfs/dbraw/zinc/59/05/00/397590500.db2.gz HUNFKADRYMPRPW-MNOVXSKESA-N 1 0 256.390 2.759 40 0 CFABRO Nc1ccc(C(=O)OCCCC[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000001709166 169747093 /nfs/dbraw/zinc/74/70/93/169747093.db2.gz DRKITQCJEFDPLR-IUODEOHRSA-N 1 0 276.380 2.723 40 0 CFABRO CCCCc1n[n+]2c(ncc3c2CC[C@H](C)C3)s1 ZINC000005671714 170126335 /nfs/dbraw/zinc/12/63/35/170126335.db2.gz IIYHSVQHUXWJFW-JTQLQIEISA-N 1 0 262.402 2.744 40 0 CFABRO COC(=O)[C@@H]1C=CC[C@@H]2CCCC[C@]12[NH+]1CCCC1 ZINC000005886768 170150579 /nfs/dbraw/zinc/15/05/79/170150579.db2.gz KGVIFVCQEQXNSN-OFQRWUPVSA-N 1 0 263.381 2.760 40 0 CFABRO CC[NH+](CC)CCCNC(=S)NC1CCCCC1 ZINC000006462738 170202998 /nfs/dbraw/zinc/20/29/98/170202998.db2.gz AKAXNPGCLTXJGZ-UHFFFAOYSA-N 1 0 271.474 2.515 40 0 CFABRO CCOc1cc([C@H]2[NH2+]CC[C@@]3(O)CCCC[C@@H]23)ccc1O ZINC000006464500 170203202 /nfs/dbraw/zinc/20/32/02/170203202.db2.gz FJRAFGQYLIQWHC-XKQJLSEDSA-N 1 0 291.391 2.747 40 0 CFABRO Fc1ccc(NC(=S)NCCC[NH+]2CCCC2)cc1 ZINC000007026916 170262919 /nfs/dbraw/zinc/26/29/19/170262919.db2.gz VCEVZMGTLINAOS-UHFFFAOYSA-N 1 0 281.400 2.598 40 0 CFABRO COc1cccc(C=O)c1OCC[N@@H+]1CCCC[C@@H]1C ZINC000009261352 170369458 /nfs/dbraw/zinc/36/94/58/170369458.db2.gz XIWOLSYHNAJMDG-ZDUSSCGKSA-N 1 0 277.364 2.761 40 0 CFABRO Cc1cc(C)cc(NC(=S)NC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000009876154 170388206 /nfs/dbraw/zinc/38/82/06/170388206.db2.gz QJDPRYCOUYXJFJ-AWEZNQCLSA-N 1 0 291.464 2.932 40 0 CFABRO Cc1cccc(C)c1NC(=O)COc1ccc(C[NH3+])cc1 ZINC000022178571 171371947 /nfs/dbraw/zinc/37/19/47/171371947.db2.gz JRRYQHPBERXFTM-UHFFFAOYSA-N 1 0 284.359 2.780 40 0 CFABRO CC(C)[C@@H]([NH3+])c1nc2cc(Br)ccc2[nH]1 ZINC000037441200 173211171 /nfs/dbraw/zinc/21/11/71/173211171.db2.gz NGMMILUGFRSYMD-SNVBAGLBSA-N 1 0 268.158 2.981 40 0 CFABRO [NH3+]CC1(Cc2cccc(Br)c2)CCOCC1 ZINC000061673946 175652689 /nfs/dbraw/zinc/65/26/89/175652689.db2.gz DRMIWYJJHCVQOK-UHFFFAOYSA-N 1 0 284.197 2.747 40 0 CFABRO C[C@@H]1C[NH2+]CCN1CCCCOc1ccccc1Cl ZINC000071978828 176307845 /nfs/dbraw/zinc/30/78/45/176307845.db2.gz SWRGWYDKOUJRAS-CYBMUJFWSA-N 1 0 282.815 2.793 40 0 CFABRO Cc1nccn1-c1cncc([C@H]2CCC[N@H+]2C(C)C)n1 ZINC000072355535 176374940 /nfs/dbraw/zinc/37/49/40/176374940.db2.gz AWKHXCBVFOZQIX-CQSZACIVSA-N 1 0 271.368 2.516 40 0 CFABRO Cc1cccc(-c2nccnc2[C@@H]2CCC[NH2+]C2)c1 ZINC000072356372 176375829 /nfs/dbraw/zinc/37/58/29/176375829.db2.gz KWDVRUCEQGJVAS-CQSZACIVSA-N 1 0 253.349 2.919 40 0 CFABRO COc1cccc(-c2cncc([C@H]3CCC[N@H+](C)C3)n2)c1 ZINC000072359275 176376965 /nfs/dbraw/zinc/37/69/65/176376965.db2.gz WWBODDUZVVHKJI-AWEZNQCLSA-N 1 0 283.375 2.961 40 0 CFABRO COc1cccc(-c2cc(C)nc(C3CC[NH2+]CC3)n2)c1 ZINC000072365130 176380025 /nfs/dbraw/zinc/38/00/25/176380025.db2.gz SQHSVQZLYCELHR-UHFFFAOYSA-N 1 0 283.375 2.928 40 0 CFABRO CC(=O)Nc1nc(C2CC[NH+](C(C)C)CC2)cs1 ZINC000072367744 176382853 /nfs/dbraw/zinc/38/28/53/176382853.db2.gz KGRICJKBAWYFEP-UHFFFAOYSA-N 1 0 267.398 2.689 40 0 CFABRO Cc1cc(N(C)C)cc([C@@H]2CCCN2Cc2ncc[nH]2)[nH+]1 ZINC000072380957 176387049 /nfs/dbraw/zinc/38/70/49/176387049.db2.gz FKQACOPJTZQANO-HNNXBMFYSA-N 1 0 285.395 2.516 40 0 CFABRO c1nc(CC[C@H]2CCCC[NH2+]2)cc(NC2CCCC2)n1 ZINC000072386468 176391630 /nfs/dbraw/zinc/39/16/30/176391630.db2.gz FJXXEEAUHFAHTH-CYBMUJFWSA-N 1 0 274.412 2.906 40 0 CFABRO c1nc(CC[C@@H]2CCCC[NH2+]2)cc(NC2CCCC2)n1 ZINC000072386467 176391771 /nfs/dbraw/zinc/39/17/71/176391771.db2.gz FJXXEEAUHFAHTH-ZDUSSCGKSA-N 1 0 274.412 2.906 40 0 CFABRO COc1cccc(-c2cnc([C@H]3CCC[NH2+]C3)cn2)c1 ZINC000072386796 176392208 /nfs/dbraw/zinc/39/22/08/176392208.db2.gz ATAYVHXHTVNLDQ-ZDUSSCGKSA-N 1 0 269.348 2.619 40 0 CFABRO c1cc([C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]2c2ccccc2)n[nH]1 ZINC000072395182 176394575 /nfs/dbraw/zinc/39/45/75/176394575.db2.gz VGZOQMJYIXXCQC-HYVNUMGLSA-N 1 0 297.402 2.629 40 0 CFABRO Cc1cc(C)n(-c2cccc(C[N@@H+]3CCC[C@H](CO)C3)c2)n1 ZINC000072397852 176395626 /nfs/dbraw/zinc/39/56/26/176395626.db2.gz BYNJAADZIQNUMU-KRWDZBQOSA-N 1 0 299.418 2.693 40 0 CFABRO FC(F)(F)c1ccc2c(c1)nccc2N1CC[NH2+]CC1 ZINC000044628743 274906776 /nfs/dbraw/zinc/90/67/76/274906776.db2.gz BVERGOAQAVGIGE-UHFFFAOYSA-N 1 0 281.281 2.663 40 0 CFABRO CCO[C@H]1C[N@H+](Cc2cccs2)[C@@H]2CCCO[C@@H]21 ZINC000096057430 276359903 /nfs/dbraw/zinc/35/99/03/276359903.db2.gz JVYLMSSRDYMCKS-RDBSUJKOSA-N 1 0 267.394 2.516 40 0 CFABRO CO[C@@H]1COC2(C1)CC[NH+](Cc1ccsc1)CC2 ZINC000096048131 277301335 /nfs/dbraw/zinc/30/13/35/277301335.db2.gz RAEPJWAAWBEKTE-ZDUSSCGKSA-N 1 0 267.394 2.518 40 0 CFABRO COc1cc2c(cc1OC)C(CC(C)C)=[N+](C)CC2 ZINC000001732824 277853031 /nfs/dbraw/zinc/85/30/31/277853031.db2.gz RIMXKTANJWWXHP-UHFFFAOYSA-N 1 0 262.373 2.737 40 0 CFABRO CC1CCN([C@@H](C[NH3+])c2ccc(F)cc2F)CC1 ZINC000022170612 278549932 /nfs/dbraw/zinc/54/99/32/278549932.db2.gz FTDXKKBDPWCKMV-AWEZNQCLSA-N 1 0 254.324 2.697 40 0 CFABRO [NH3+]CC1(c2ccc(C(F)(F)F)cc2)CCOCC1 ZINC000066055040 279623931 /nfs/dbraw/zinc/62/39/31/279623931.db2.gz JGLUGLOJKIXUNJ-UHFFFAOYSA-N 1 0 259.271 2.712 40 0 CFABRO Cc1c(Br)cc(C=O)n1-c1cc[nH+]cc1 ZINC000225300476 280199697 /nfs/dbraw/zinc/19/96/97/280199697.db2.gz AVMSLDLALJTYNR-UHFFFAOYSA-N 1 0 265.110 2.756 40 0 CFABRO Cc1cc(N(C)C)cc([C@H]2CCCN2c2cnccn2)[nH+]1 ZINC000072356654 280537104 /nfs/dbraw/zinc/53/71/04/280537104.db2.gz KHKBTCZZHQIBMG-OAHLLOKOSA-N 1 0 283.379 2.588 40 0 CFABRO [NH3+]C[C@@H](c1ccc(Br)cc1)N1CCCC1 ZINC000038809032 295244175 /nfs/dbraw/zinc/24/41/75/295244175.db2.gz AYXDZDZMVWQQLF-LBPRGKRZSA-N 1 0 269.186 2.545 40 0 CFABRO COc1ccccc1CN(CC[NH+](C)C)Cc1ccncc1 ZINC000022913742 295360445 /nfs/dbraw/zinc/36/04/45/295360445.db2.gz HKUBDLFKZBGQHX-UHFFFAOYSA-N 1 0 299.418 2.654 40 0 CFABRO [NH3+]CCCNc1ccnc2ccc(Br)cc21 ZINC000222679006 327935107 /nfs/dbraw/zinc/93/51/07/327935107.db2.gz OFYVTEWJWKBTDU-UHFFFAOYSA-N 1 0 280.169 2.758 40 0 CFABRO C[NH+](C)CCNC(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000013670478 326841372 /nfs/dbraw/zinc/84/13/72/326841372.db2.gz GTFMITWRLRNWDT-UHFFFAOYSA-N 1 0 276.424 2.595 40 0 CFABRO CCCNc1ncc(C[NH2+]Cc2ccccc2)cn1 ZINC000062717669 333176029 /nfs/dbraw/zinc/17/60/29/333176029.db2.gz HIFHCLDKGPKDRQ-UHFFFAOYSA-N 1 0 256.353 2.588 40 0 CFABRO Cc1ccc(CN2CC[NH2+]C[C@@H]2c2ccccc2)cn1 ZINC000086177783 524461741 /nfs/dbraw/zinc/46/17/41/524461741.db2.gz WENINCGHPHGZPN-QGZVFWFLSA-N 1 0 267.376 2.537 40 0 CFABRO C[C@@H]([NH3+])c1nc(COc2ccc(C(C)(C)C)cc2)n[nH]1 ZINC000095534673 185007296 /nfs/dbraw/zinc/00/72/96/185007296.db2.gz ICTRETXBXYCSLL-SNVBAGLBSA-N 1 0 274.368 2.701 40 0 CFABRO [NH3+][C@@H](Cc1ccccc1)c1nc(-c2ccccc2F)n[nH]1 ZINC000095534884 185008538 /nfs/dbraw/zinc/00/85/38/185008538.db2.gz WYWJXNBIDMUTPB-AWEZNQCLSA-N 1 0 282.322 2.853 40 0 CFABRO [NH3+][C@H](Cc1ccccc1)c1nnc(-c2cccc(F)c2)[nH]1 ZINC000095534915 185008573 /nfs/dbraw/zinc/00/85/73/185008573.db2.gz HTIVRSIMHUHJOD-CQSZACIVSA-N 1 0 282.322 2.853 40 0 CFABRO [NH3+]C[C@@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1 ZINC000095743879 185025191 /nfs/dbraw/zinc/02/51/91/185025191.db2.gz UCWFSUNQYKZJPE-KRWDZBQOSA-N 1 0 296.370 2.709 40 0 CFABRO Cc1nccc([C@H]2C[C@@H]3CC[N@H+](Cc4ccco4)C[C@H]3O2)n1 ZINC000096046150 185071732 /nfs/dbraw/zinc/07/17/32/185071732.db2.gz UQCMRECCSUIFNS-IAOVAPTHSA-N 1 0 299.374 2.730 40 0 CFABRO CCN1C(=O)CC[C@]12CCC[N@H+](Cc1ccc(C)o1)CC2 ZINC000096047499 185072785 /nfs/dbraw/zinc/07/27/85/185072785.db2.gz MAXQWBYLKDUZNI-KRWDZBQOSA-N 1 0 290.407 2.955 40 0 CFABRO O=C1[C@H]2C[N@H+](Cc3cccs3)C[C@H]2CN1c1ccccc1 ZINC000096053572 185074775 /nfs/dbraw/zinc/07/47/75/185074775.db2.gz UDGWCHVTEADHMY-BBRMVZONSA-N 1 0 298.411 2.843 40 0 CFABRO CN1C(=O)CCC[C@@]12CCC[N@H+](Cc1cccs1)C2 ZINC000096049949 185074979 /nfs/dbraw/zinc/07/49/79/185074979.db2.gz XCHVUMMIKRIEPD-HNNXBMFYSA-N 1 0 278.421 2.725 40 0 CFABRO O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2cccs2)N1CC1CC1 ZINC000096056543 185077952 /nfs/dbraw/zinc/07/79/52/185077952.db2.gz IHPYPKBSOJYQQN-HUUCEWRRSA-N 1 0 290.432 2.723 40 0 CFABRO O[C@@H]1CC[N@H+](Cc2cccs2)[C@H]1Cc1ccccc1 ZINC000096061554 185082523 /nfs/dbraw/zinc/08/25/23/185082523.db2.gz HUTFJVHLFWGYFM-JKSUJKDBSA-N 1 0 273.401 2.926 40 0 CFABRO COC[C@@]12CCO[C@@H]1CC[N@H+](Cc1ccc(C)s1)C2 ZINC000096110318 185100959 /nfs/dbraw/zinc/10/09/59/185100959.db2.gz YCZHMDCNHYFLQX-CABCVRRESA-N 1 0 281.421 2.684 40 0 CFABRO O=C1C[C@@H]2[C@H](CC[N@@H+]2Cc2ccoc2)N1c1ccsc1 ZINC000096110720 185101398 /nfs/dbraw/zinc/10/13/98/185101398.db2.gz WQTMPBBKYLMUNJ-UONOGXRCSA-N 1 0 288.372 2.721 40 0 CFABRO Cc1cc(N2Cc3ccccc3C[C@H]2C)nc(NC(C)C)[nH+]1 ZINC000328966672 136377226 /nfs/dbraw/zinc/37/72/26/136377226.db2.gz CNSHTBKUMDKDHT-CQSZACIVSA-N 1 0 296.418 2.978 40 0 CFABRO CCc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000005556926 346211798 /nfs/dbraw/zinc/21/17/98/346211798.db2.gz HVPKCRPSZRFTBQ-GDBMZVCRSA-N 1 0 277.408 2.863 40 0 CFABRO Fc1ccc(CN2CC[C@@H]3[NH2+]CCCCC[C@H]32)cc1 ZINC000019712144 346242476 /nfs/dbraw/zinc/24/24/76/346242476.db2.gz SSKKIXBBWJVSAS-JKSUJKDBSA-N 1 0 262.372 2.932 40 0 CFABRO [NH3+]CCCn1cc(-c2ccccc2Br)cn1 ZINC000085390840 179047820 /nfs/dbraw/zinc/04/78/20/179047820.db2.gz ZAMGKBMCVDXTLY-UHFFFAOYSA-N 1 0 280.169 2.661 40 0 CFABRO CCn1c(C)c(-c2noc(CCC[NH3+])n2)c2ccccc21 ZINC000085397308 179050140 /nfs/dbraw/zinc/05/01/40/179050140.db2.gz AGCTWYFIMGUUPV-UHFFFAOYSA-N 1 0 284.363 2.911 40 0 CFABRO O=C(c1cccc(F)c1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000062672501 346690754 /nfs/dbraw/zinc/69/07/54/346690754.db2.gz KWJVIWSVESMIRR-INIZCTEOSA-N 1 0 284.334 2.612 40 0 CFABRO C[NH2+][C@@H](C)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000214582210 348161801 /nfs/dbraw/zinc/16/18/01/348161801.db2.gz JEDCPSXKKKIRRN-NSHDSACASA-N 1 0 256.390 2.632 40 0 CFABRO CC1(C)[C@H](OC[C@@H](O)C[NH+]2CCCC2)[C@]2(C)CC[C@H]1C2 ZINC000245318920 348251483 /nfs/dbraw/zinc/25/14/83/348251483.db2.gz XMEQDPKFUATABQ-QBYUYEEZSA-N 1 0 281.440 2.675 40 0 CFABRO CC(C)(C)OC(=O)N(CC(F)(F)F)[C@@H]1CCC[C@@H]1[NH3+] ZINC000409442509 348602472 /nfs/dbraw/zinc/60/24/72/348602472.db2.gz WDYUJROINIVUEA-DTWKUNHWSA-N 1 0 282.306 2.666 40 0 CFABRO [NH3+]Cc1cc(-c2cc(Cl)ccc2Cl)ncn1 ZINC000409436635 348602600 /nfs/dbraw/zinc/60/26/00/348602600.db2.gz ONZUMYRENFKBQJ-UHFFFAOYSA-N 1 0 254.120 2.909 40 0 CFABRO CN(C(=O)OC(C)(C)C)C1(C(=[NH2+])NO)CCCCC1 ZINC000409442008 348602605 /nfs/dbraw/zinc/60/26/05/348602605.db2.gz SFVAWRRXDUUKJP-UHFFFAOYSA-N 1 0 271.361 2.512 40 0 CFABRO CC(C)(C)OC(=O)N(CC(F)(F)F)[C@@H]1CCC[C@H]1[NH3+] ZINC000409442511 348602611 /nfs/dbraw/zinc/60/26/11/348602611.db2.gz WDYUJROINIVUEA-RKDXNWHRSA-N 1 0 282.306 2.666 40 0 CFABRO CC(C)[NH2+][C@H]1CCC[C@@H](Oc2ccc(Cl)cc2)[C@@H]1O ZINC000585288441 348738729 /nfs/dbraw/zinc/73/87/29/348738729.db2.gz AOXABRYDFZDQAT-RRFJBIMHSA-N 1 0 283.799 2.999 40 0 CFABRO CO[C@@H]1CC[N@H+](Cc2c[nH]nc2C)C[C@H]1Cc1ccccc1 ZINC000585273363 348738795 /nfs/dbraw/zinc/73/87/95/348738795.db2.gz CWROKGOPRPPCQK-SJLPKXTDSA-N 1 0 299.418 2.798 40 0 CFABRO Cc1cc(C)nc(N2CC[C@H]3[C@H](C[N@H+]3CCC(C)C)C2)n1 ZINC000585107936 348734325 /nfs/dbraw/zinc/73/43/25/348734325.db2.gz GSXICFHFHPAPLS-CVEARBPZSA-N 1 0 288.439 2.650 40 0 CFABRO c1cncc(O[C@@H]2CSC3(C[NH+](C4CCC4)C3)C2)c1 ZINC000585103296 348734550 /nfs/dbraw/zinc/73/45/50/348734550.db2.gz AQYIKEJVQJFWTC-AWEZNQCLSA-N 1 0 276.405 2.573 40 0 CFABRO CCCC[N@@H+]1CCC[C@@]2(CCC(=O)N2CC)CC1 ZINC000585100767 348734681 /nfs/dbraw/zinc/73/46/81/348734681.db2.gz VTVBEVZEUAMBAG-OAHLLOKOSA-N 1 0 252.402 2.654 40 0 CFABRO Cc1cc(C)nc(N2CC[C@@H]3[C@H](C[N@H+]3CCC(C)C)C2)n1 ZINC000585107938 348734753 /nfs/dbraw/zinc/73/47/53/348734753.db2.gz GSXICFHFHPAPLS-HZPDHXFCSA-N 1 0 288.439 2.650 40 0 CFABRO COc1ccc(CC[NH2+]Cc2cccc(C)n2)cc1OC ZINC000092428038 180383459 /nfs/dbraw/zinc/38/34/59/180383459.db2.gz DNHOHQUFBDGYDL-UHFFFAOYSA-N 1 0 286.375 2.740 40 0 CFABRO Cc1nc(CN2CC[C@H]3[C@H]2CC[N@H+]3CC(C)C)cs1 ZINC000107198851 186162706 /nfs/dbraw/zinc/16/27/06/186162706.db2.gz DCUUCSAEYIKSSC-LSDHHAIUSA-N 1 0 279.453 2.756 40 0 CFABRO CC(C)(C)Nc1nc(NC[C@H]2CCCO2)cc(C2CC2)[nH+]1 ZINC000329040217 202163754 /nfs/dbraw/zinc/16/37/54/202163754.db2.gz SBMHJEVOUUDUOZ-GFCCVEGCSA-N 1 0 290.411 2.577 40 0 CFABRO CC[C@H](C)[NH2+]C[C@@H](O)COc1ccccc1C(C)C ZINC000002694335 169820610 /nfs/dbraw/zinc/82/06/10/169820610.db2.gz UKVCHQPKNJYQJM-UONOGXRCSA-N 1 0 265.397 2.938 40 0 CFABRO NC(=[NH2+])c1cc(C(F)(F)F)ccc1Br ZINC000199752765 283262021 /nfs/dbraw/zinc/26/20/21/283262021.db2.gz PFCPJVMIESOEQW-UHFFFAOYSA-N 1 0 267.048 2.752 40 0 CFABRO CCN(C(=O)C(C)C)[C@H](c1ccccc1)C(C)(C)[NH3+] ZINC000225750915 284138653 /nfs/dbraw/zinc/13/86/53/284138653.db2.gz VSRZSFDRZMXHPI-CQSZACIVSA-N 1 0 262.397 2.970 40 0 CFABRO CCOc1ccc(OCC)c([C@H](O)[C@@H](C)[NH2+]C(C)C)c1 ZINC000001565241 371680688 /nfs/dbraw/zinc/68/06/88/371680688.db2.gz OJISRTSIAOBZGQ-MLGOLLRUSA-N 1 0 281.396 2.904 40 0 CFABRO Cc1ccc(S(=O)(=O)C[n+]2ccc3ccccc3c2)cc1 ZINC000001767809 371706273 /nfs/dbraw/zinc/70/62/73/371706273.db2.gz AYDULONHWGMTHF-UHFFFAOYSA-N 1 0 298.387 2.867 40 0 CFABRO COc1ccc([C@H](Cc2ccccc2)[NH2+][C@@H](C)CO)cc1 ZINC000001667040 371693559 /nfs/dbraw/zinc/69/35/59/371693559.db2.gz ULKZYCNOFRSREB-KSSFIOAISA-N 1 0 285.387 2.949 40 0 CFABRO COc1ccc([C@H](Cc2ccccc2)[NH2+][C@H](C)CO)cc1 ZINC000001667041 371694286 /nfs/dbraw/zinc/69/42/86/371694286.db2.gz ULKZYCNOFRSREB-KDOFPFPSSA-N 1 0 285.387 2.949 40 0 CFABRO CCC[NH2+]CCC(=O)Nc1ccc(Cl)cc1C ZINC000001671740 371694847 /nfs/dbraw/zinc/69/48/47/371694847.db2.gz MWPZEQKAOZTPJJ-UHFFFAOYSA-N 1 0 254.761 2.977 40 0 CFABRO CCCC[NH2+]CC(=O)Nc1ccc(C(=O)OC(C)C)cc1 ZINC000001671730 371695189 /nfs/dbraw/zinc/69/51/89/371695189.db2.gz BUWVWEPRLRAUHW-UHFFFAOYSA-N 1 0 292.379 2.580 40 0 CFABRO C[NH+](C)CC[C@@H](C(=O)c1ccccc1)c1ccncc1 ZINC000001675610 371697145 /nfs/dbraw/zinc/69/71/45/371697145.db2.gz AKVBROPYAOUTQJ-MRXNPFEDSA-N 1 0 268.360 3.000 40 0 CFABRO CCC[C@H](CC1CC[NH2+]CC1)C(=O)C(F)(F)F ZINC000001688780 371698553 /nfs/dbraw/zinc/69/85/53/371698553.db2.gz DVJFQSXXKZKCRF-SNVBAGLBSA-N 1 0 251.292 2.924 40 0 CFABRO CC[NH+](CC)CCNC(=O)c1cc2ccccc2s1 ZINC000001701105 371700306 /nfs/dbraw/zinc/70/03/06/371700306.db2.gz BKZZNGOVLXIRQR-UHFFFAOYSA-N 1 0 276.405 2.973 40 0 CFABRO CCCN(CC[NH+](CC)CC)C(=O)N(CC)CC ZINC000001730334 371702912 /nfs/dbraw/zinc/70/29/12/371702912.db2.gz ZRHBHOIOCCDJHW-UHFFFAOYSA-N 1 0 257.422 2.502 40 0 CFABRO Cc1cccc(OC[C@@H](O)C[NH+]2CCCCC2)c1C ZINC000004304971 371849746 /nfs/dbraw/zinc/84/97/46/371849746.db2.gz YMIPAHJVTDIEJR-HNNXBMFYSA-N 1 0 263.381 2.529 40 0 CFABRO NNc1ccc(-c2ccc(Cl)cc2Cl)n[nH+]1 ZINC000011567896 371921445 /nfs/dbraw/zinc/92/14/45/371921445.db2.gz YTYONMMSNLKZKH-UHFFFAOYSA-N 1 0 255.108 2.736 40 0 CFABRO c1ccc([C@H]2[NH2+]CCc3cc4c(cc32)OCCO4)cc1 ZINC000011599078 371921639 /nfs/dbraw/zinc/92/16/39/371921639.db2.gz SMOKRLYMPVJFHB-QGZVFWFLSA-N 1 0 267.328 2.693 40 0 CFABRO C[C@@H]1C[C@H](C)C[N@@H+](C[C@@H](O)COc2ccc(F)cc2)C1 ZINC000012170053 371947600 /nfs/dbraw/zinc/94/76/00/371947600.db2.gz JFVBJQRIVRCLHX-VNHYZAJKSA-N 1 0 281.371 2.543 40 0 CFABRO c1cn(CCC[N@@H+](Cc2cnc[nH]2)C[C@@H]2CC=CCC2)cn1 ZINC000013991198 372055985 /nfs/dbraw/zinc/05/59/85/372055985.db2.gz QHOAOEPWGOZWAB-MRXNPFEDSA-N 1 0 299.422 2.855 40 0 CFABRO C[NH2+]CC(=O)Nc1ccccc1Oc1ccccc1 ZINC000016477831 372106976 /nfs/dbraw/zinc/10/69/76/372106976.db2.gz FKTHDJXGIXMGFA-UHFFFAOYSA-N 1 0 256.305 2.637 40 0 CFABRO C[N@@H+]1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000016189034 372101626 /nfs/dbraw/zinc/10/16/26/372101626.db2.gz RGGCEMJNHKZCSS-UHFFFAOYSA-N 1 0 267.760 2.509 40 0 CFABRO C[C@H]1CCC[N@H+](Cc2ccnc(-c3ccncc3)n2)C1 ZINC000019496575 372167846 /nfs/dbraw/zinc/16/78/46/372167846.db2.gz YSOQIJBAYDAWOY-ZDUSSCGKSA-N 1 0 268.364 2.771 40 0 CFABRO [NH3+]C[C@H]1CCCN(Cc2ccc(Br)s2)C1 ZINC000019843413 372197271 /nfs/dbraw/zinc/19/72/71/372197271.db2.gz IEKPCSPITOZRTG-SECBINFHSA-N 1 0 289.242 2.681 40 0 CFABRO COc1cc(C[NH2+]C(C)C)cc(Br)c1O ZINC000019880366 372201368 /nfs/dbraw/zinc/20/13/68/372201368.db2.gz WYRDKLSIXIYOSR-UHFFFAOYSA-N 1 0 274.158 2.661 40 0 CFABRO CC1(C)[C@H]2C[C@@H]1CC[C@@]2(O)C[NH2+]Cc1ccccc1 ZINC000026897877 372331451 /nfs/dbraw/zinc/33/14/51/372331451.db2.gz AYJGCJVCDZDTSP-ZMSDIMECSA-N 1 0 259.393 2.963 40 0 CFABRO COc1cc(SC(C)C)c(OC)cc1CC[NH3+] ZINC000027302895 372336918 /nfs/dbraw/zinc/33/69/18/372336918.db2.gz HDYZSVKZKDPLDT-UHFFFAOYSA-N 1 0 255.383 2.706 40 0 in-vitro CFABRO CCNC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000030756536 372397621 /nfs/dbraw/zinc/39/76/21/372397621.db2.gz RPAPKPGQKYYIQP-UHFFFAOYSA-N 1 0 260.381 2.668 40 0 CFABRO Cc1ccc(N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)cc1 ZINC000031666625 372414102 /nfs/dbraw/zinc/41/41/02/372414102.db2.gz YBIHBJLEGXTDCM-LJQANCHMSA-N 1 0 296.414 2.851 40 0 CFABRO COc1cccc(C=O)c1OCC[NH+]1CCCCCC1 ZINC000031978734 372424011 /nfs/dbraw/zinc/42/40/11/372424011.db2.gz IIPUZHORXNSNFQ-UHFFFAOYSA-N 1 0 277.364 2.763 40 0 CFABRO C[C@@H]1C[C@H](C)C[N@@H+](C[C@H](O)COc2ccc(F)cc2)C1 ZINC000035088638 372537234 /nfs/dbraw/zinc/53/72/34/372537234.db2.gz JFVBJQRIVRCLHX-GUTXKFCHSA-N 1 0 281.371 2.543 40 0 CFABRO [NH3+]C[C@H]1CCCN(c2nc3ccc(Cl)cc3o2)C1 ZINC000036532627 372580753 /nfs/dbraw/zinc/58/07/53/372580753.db2.gz RJHQQPQJVNDOAB-SECBINFHSA-N 1 0 265.744 2.656 40 0 CFABRO Fc1ccc(-c2ccccc2CN2CC[NH2+]CC2)cc1 ZINC000040537970 372783829 /nfs/dbraw/zinc/78/38/29/372783829.db2.gz MABCZFMHCAOTPA-UHFFFAOYSA-N 1 0 270.351 2.898 40 0 CFABRO c1cc2c(s1)CCN(CC[C@@H]1CCCC[NH2+]1)C2 ZINC000043498772 372991841 /nfs/dbraw/zinc/99/18/41/372991841.db2.gz RCBFCAMDOCJTBL-ZDUSSCGKSA-N 1 0 250.411 2.638 40 0 CFABRO C[C@H]1CCC[N@H+](CCCNC(=O)Cc2ccc(F)cc2)C1 ZINC000046958821 373072685 /nfs/dbraw/zinc/07/26/85/373072685.db2.gz QNKQUIBNSCPPHH-AWEZNQCLSA-N 1 0 292.398 2.606 40 0 CFABRO c1coc(C[N@@H+]2CC[C@H](c3nnc(-c4ccncc4)o3)C2)c1 ZINC000049169577 373273188 /nfs/dbraw/zinc/27/31/88/373273188.db2.gz WDIKTXQEXNCWOV-ZDUSSCGKSA-N 1 0 296.330 2.714 40 0 biogenic,in-vitro CFABRO COc1ccc(-c2nnc([C@H]3CC[N@H+](CC4CC4)C3)o2)cc1 ZINC000049170164 373275807 /nfs/dbraw/zinc/27/58/07/373275807.db2.gz JMGGZOCBRQMWTE-AWEZNQCLSA-N 1 0 299.374 2.945 40 0 biogenic,in-vitro CFABRO CC(C)(C)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000052399657 373441867 /nfs/dbraw/zinc/44/18/67/373441867.db2.gz VJTMESQUUXIIKN-UHFFFAOYSA-N 1 0 274.408 2.945 40 0 CFABRO CCCCOC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000052710526 373447015 /nfs/dbraw/zinc/44/70/15/373447015.db2.gz PFPSMCZPIRFDNZ-UHFFFAOYSA-N 1 0 290.407 2.542 40 0 CFABRO CCCCn1c2ccc(Cl)cc2nc1CC[NH3+] ZINC000064874475 373837774 /nfs/dbraw/zinc/83/77/74/373837774.db2.gz GXXDASZKXYANOI-UHFFFAOYSA-N 1 0 251.761 2.991 40 0 CFABRO CC[C@@H](C)Oc1ccc(C[NH2+]CCCOC)cc1OC ZINC000066116231 373912507 /nfs/dbraw/zinc/91/25/07/373912507.db2.gz IGLUWSPTIOTYIC-CYBMUJFWSA-N 1 0 281.396 2.999 40 0 CFABRO CC[NH+](CC)CCCN1CCc2cc3c(cc2C1)OCO3 ZINC000068602040 374034684 /nfs/dbraw/zinc/03/46/84/374034684.db2.gz DMMFQCFOZKJPIX-UHFFFAOYSA-N 1 0 290.407 2.505 40 0 CFABRO OC[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCCC1 ZINC000070453070 374179794 /nfs/dbraw/zinc/17/97/94/374179794.db2.gz BVUQQTRTHFEGGK-GFCCVEGCSA-N 1 0 259.271 2.835 40 0 CFABRO Clc1cccc(Cl)c1CNC1CC[NH2+]CC1 ZINC000072203576 374235473 /nfs/dbraw/zinc/23/54/73/374235473.db2.gz CSZUUZAHVYGBQY-UHFFFAOYSA-N 1 0 259.180 2.835 40 0 CFABRO CC(C)[N@@H+]1CCC[C@H]1c1cccc(N2CCC(O)CC2)n1 ZINC000072364933 374246605 /nfs/dbraw/zinc/24/66/05/374246605.db2.gz LNTKWZHKNCZIKS-INIZCTEOSA-N 1 0 289.423 2.588 40 0 CFABRO Cc1nnc(Nc2cccc([C@@H]3CCC[N@@H+](C)C3)n2)s1 ZINC000072375911 374246627 /nfs/dbraw/zinc/24/66/27/374246627.db2.gz YBOBPTXQUIYEHL-LLVKDONJSA-N 1 0 289.408 2.794 40 0 CFABRO C[NH+]1CCC(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000074713381 374434417 /nfs/dbraw/zinc/43/44/17/374434417.db2.gz BFUDCCVPRJFXOZ-UHFFFAOYSA-N 1 0 286.297 2.986 40 0 CFABRO CC(C)N(C[C@@H]1CCC[NH2+]1)C(=O)OCc1ccccc1 ZINC000079437824 374611527 /nfs/dbraw/zinc/61/15/27/374611527.db2.gz NKPKKALLTFSNHX-HNNXBMFYSA-N 1 0 276.380 2.786 40 0 CFABRO CC(C)N(C[C@H]1CC[NH2+]C1)C(=O)OCc1ccccc1 ZINC000079437834 374611934 /nfs/dbraw/zinc/61/19/34/374611934.db2.gz RLXUDAWFGAJFDX-HNNXBMFYSA-N 1 0 276.380 2.643 40 0 CFABRO Cc1ccc(C)c([C@H](C)NC(=O)[C@H]2CCC[N@H+](C)C2)c1 ZINC000081230100 374689763 /nfs/dbraw/zinc/68/97/63/374689763.db2.gz GUYHWWFUCVDRIW-GJZGRUSLSA-N 1 0 274.408 2.822 40 0 CFABRO CCO[C@H]1CC[N@H+](CC2CC2)[C@H]1Cc1ccncc1 ZINC000096087474 375468005 /nfs/dbraw/zinc/46/80/05/375468005.db2.gz JVELBOFNNWZSLX-HOTGVXAUSA-N 1 0 260.381 2.514 40 0 CFABRO COC[C@H]1Cn2nccc2C[N@H+](CC2CCCCC2)C1 ZINC000096188917 375474269 /nfs/dbraw/zinc/47/42/69/375474269.db2.gz SXKGFLMBAFVEDV-OAHLLOKOSA-N 1 0 277.412 2.542 40 0 CFABRO c1csc(CN2CC3(C2)CC[N@H+](Cc2cccnc2)C3)c1 ZINC000096202507 375477238 /nfs/dbraw/zinc/47/72/38/375477238.db2.gz UBAZWRZAUKCPSV-UHFFFAOYSA-N 1 0 299.443 2.851 40 0 CFABRO C[NH+](C)[C@@H]1CCN(C(=O)c2ccoc2)[C@H]1Cc1ccccc1 ZINC000096200801 375478181 /nfs/dbraw/zinc/47/81/81/375478181.db2.gz IZGUEOVZBUSVEB-SJORKVTESA-N 1 0 298.386 2.667 40 0 CFABRO CO[C@H]1CC[N@H+](Cc2cc(C)cc(C)c2)[C@H]2CCO[C@@H]21 ZINC000096220591 375479358 /nfs/dbraw/zinc/47/93/58/375479358.db2.gz VAIYVHLKRFIDCO-ULQDDVLXSA-N 1 0 275.392 2.682 40 0 CFABRO CO[C@@H]1CC[N@H+](Cc2cc(C)cc(C)c2)[C@H]2CCO[C@@H]21 ZINC000096219641 375479911 /nfs/dbraw/zinc/47/99/11/375479911.db2.gz VAIYVHLKRFIDCO-BBWFWOEESA-N 1 0 275.392 2.682 40 0 CFABRO CC(C)C[N@@H+]1CCc2ncnc(-c3ccncc3)c2CC1 ZINC000096255258 375481546 /nfs/dbraw/zinc/48/15/46/375481546.db2.gz WPKXPKHIVOLNJH-UHFFFAOYSA-N 1 0 282.391 2.595 40 0 CFABRO Cc1nc(-c2ccccc2)nc2c1COC[C@@]21CC[N@@H+](C)C1 ZINC000096244671 375481745 /nfs/dbraw/zinc/48/17/45/375481745.db2.gz LFCZHMIIXTXOHR-SFHVURJKSA-N 1 0 295.386 2.556 40 0 CFABRO CC(=O)N1CCC12CC[NH+](Cc1ccc(C)s1)CC2 ZINC000096239457 375482314 /nfs/dbraw/zinc/48/23/14/375482314.db2.gz ITONFQFEWJURQA-UHFFFAOYSA-N 1 0 278.421 2.643 40 0 CFABRO CCCn1cc(C[NH2+]Cc2cccc(O)c2)c(C)n1 ZINC000256054002 190005049 /nfs/dbraw/zinc/00/50/49/190005049.db2.gz UOBCYSYLFWJYFY-UHFFFAOYSA-N 1 0 259.353 2.597 40 0 CFABRO Cc1nn(C(C)C)cc1C[NH2+]Cc1ccnn1C(C)C ZINC000256054720 190005292 /nfs/dbraw/zinc/00/52/92/190005292.db2.gz XMHULBYGACSATF-UHFFFAOYSA-N 1 0 275.400 2.840 40 0 CFABRO CCCn1cc(C[NH2+]Cc2ccc(F)s2)cn1 ZINC000256050002 190002882 /nfs/dbraw/zinc/00/28/82/190002882.db2.gz CFPGHLOLNNWQBO-UHFFFAOYSA-N 1 0 253.346 2.784 40 0 CFABRO CCCn1cc(C[NH2+]Cc2ccnn2C(C)C)c(C)n1 ZINC000256051855 190003799 /nfs/dbraw/zinc/00/37/99/190003799.db2.gz KTPHPECBUUJEIP-UHFFFAOYSA-N 1 0 275.400 2.669 40 0 CFABRO COc1ccc(C[NH2+]Cc2cc(C(F)(F)F)nn2C)cc1 ZINC000256051289 190004025 /nfs/dbraw/zinc/00/40/25/190004025.db2.gz INVVGIGSVPKAIP-UHFFFAOYSA-N 1 0 299.296 2.737 40 0 CFABRO CC(C)(C)OC(=O)N1CCC([NH3+])(c2ccccc2)CC1 ZINC000098213839 375610461 /nfs/dbraw/zinc/61/04/61/375610461.db2.gz QNGLEJHPGWKPSB-UHFFFAOYSA-N 1 0 276.380 2.872 40 0 CFABRO FC(F)n1nccc1C[NH2+]CCc1ccccc1 ZINC000256052302 190004458 /nfs/dbraw/zinc/00/44/58/190004458.db2.gz MUIGJJGUWZWLGO-UHFFFAOYSA-N 1 0 251.280 2.611 40 0 CFABRO CCn1cc(C[NH2+]Cc2ccc(F)s2)c(C)n1 ZINC000256052370 190004576 /nfs/dbraw/zinc/00/45/76/190004576.db2.gz NAYPBIURROPIBS-UHFFFAOYSA-N 1 0 253.346 2.702 40 0 CFABRO COc1cccc(CC[NH2+]Cc2cnn(CC(C)C)c2)c1 ZINC000256052152 190004592 /nfs/dbraw/zinc/00/45/92/190004592.db2.gz MBZWOZVXCOZDHJ-UHFFFAOYSA-N 1 0 287.407 2.880 40 0 CFABRO C[N@H+]1[C@@H]2CC[C@H]1CC(OC(=O)c1c[nH]c3ccccc13)C2 ZINC000100012129 375612148 /nfs/dbraw/zinc/61/21/48/375612148.db2.gz RIJFNUHYNBVLOZ-RLCAUIQDSA-N 1 0 284.359 2.655 40 0 in-vitro CFABRO COc1ccc(Oc2nccnc2C2CC[NH2+]CC2)cc1 ZINC000257197783 190010208 /nfs/dbraw/zinc/01/02/08/190010208.db2.gz JDUTUZPXTYUKJY-UHFFFAOYSA-N 1 0 285.347 2.745 40 0 CFABRO c1ccc(Nc2cc([C@H]3CCC[NH2+]C3)ccn2)nc1 ZINC000257205153 190011492 /nfs/dbraw/zinc/01/14/92/190011492.db2.gz AXWJKFSHUAVAKT-ZDUSSCGKSA-N 1 0 254.337 2.687 40 0 CFABRO Cc1cccc(C[C@@H]2CCC[N@H+](Cc3ccnc(C)n3)C2)n1 ZINC000257207053 190011889 /nfs/dbraw/zinc/01/18/89/190011889.db2.gz BGEHFJLLJRLRBX-INIZCTEOSA-N 1 0 296.418 2.943 40 0 CFABRO NC(=O)c1ccc(-c2ccc([C@H]3CCCC[NH2+]3)cn2)cc1 ZINC000257212619 190012856 /nfs/dbraw/zinc/01/28/56/190012856.db2.gz CEFSRPOUQSAYGE-OAHLLOKOSA-N 1 0 281.359 2.662 40 0 CFABRO O[C@@H]1CCCOC12CC[NH+](CCCc1ccccc1)CC2 ZINC000257215995 190013701 /nfs/dbraw/zinc/01/37/01/190013701.db2.gz CSPHONXGXUUPGW-QGZVFWFLSA-N 1 0 289.419 2.625 40 0 CFABRO c1nc(CC[C@H]2CCC[NH2+]2)cc(NC2CCCCC2)n1 ZINC000257230154 190016498 /nfs/dbraw/zinc/01/64/98/190016498.db2.gz GBBSIGWLPSZELL-CYBMUJFWSA-N 1 0 274.412 2.906 40 0 CFABRO Cc1cccc(CN2C(=O)CCCC[C@@H]3[C@@H]2CC[N@H+]3C)c1 ZINC000257216780 190014084 /nfs/dbraw/zinc/01/40/84/190014084.db2.gz CWACNMUQYQZCNE-SJORKVTESA-N 1 0 286.419 2.970 40 0 CFABRO Cc1c[nH]c(-c2nccnc2[C@@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000257219585 190014231 /nfs/dbraw/zinc/01/42/31/190014231.db2.gz DHIAVYHLACIGIT-CYBMUJFWSA-N 1 0 285.395 2.763 40 0 CFABRO Cc1noc(C)c1-c1nc(C)cc([C@@H]2CCCC[NH2+]2)n1 ZINC000257253434 190020753 /nfs/dbraw/zinc/02/07/53/190020753.db2.gz JYYAJFQVBBZVSV-LBPRGKRZSA-N 1 0 272.352 2.871 40 0 CFABRO CC(C)[N@@H+]1CCC[C@H](c2cccc(N3CCOC3=O)n2)C1 ZINC000257247516 190019139 /nfs/dbraw/zinc/01/91/39/190019139.db2.gz IZICLAJRQATJIC-ZDUSSCGKSA-N 1 0 289.379 2.626 40 0 CFABRO C[N@@H+]1CCC[C@@]2(C)[C@@H]1CCCCN2C(=O)c1ccccn1 ZINC000257264186 190023014 /nfs/dbraw/zinc/02/30/14/190023014.db2.gz LTGPTOOOZLNDEM-RDJZCZTQSA-N 1 0 287.407 2.561 40 0 CFABRO Cc1cn(-c2ccnc([C@H]3CCC[N@@H+](C)C3)c2)c(C)n1 ZINC000257264944 190023282 /nfs/dbraw/zinc/02/32/82/190023282.db2.gz LWPYRBNOOSZBOH-AWEZNQCLSA-N 1 0 270.380 2.693 40 0 CFABRO CC(C)C[N@@H+]1CC[C@H](O)[C@@H](Oc2ccc(F)cc2)CC1 ZINC000257268525 190024163 /nfs/dbraw/zinc/02/41/63/190024163.db2.gz MMCQLAPSZKYYKC-HOTGVXAUSA-N 1 0 281.371 2.686 40 0 CFABRO CC(C)n1nccc1-c1cc(C[C@H]2CC[NH2+]C2)ccn1 ZINC000257255141 190021169 /nfs/dbraw/zinc/02/11/69/190021169.db2.gz KGHKTYZZKLVJDS-CQSZACIVSA-N 1 0 270.380 2.678 40 0 CFABRO Fc1ccc(C[N@@H+]2CCC[C@@H](c3ccncn3)C2)cc1 ZINC000257256412 190021260 /nfs/dbraw/zinc/02/12/60/190021260.db2.gz KLJSEQYDWVLZOD-CQSZACIVSA-N 1 0 271.339 2.995 40 0 CFABRO O=C1[C@@H](C2CC[NH2+]CC2)CC=CCN1Cc1ccccc1 ZINC000257261733 190022313 /nfs/dbraw/zinc/02/23/13/190022313.db2.gz LIOMDFISUDOKQW-QGZVFWFLSA-N 1 0 284.403 2.591 40 0 CFABRO CC(C)n1nccc1C[N@@H+]1CCC[C@@H](Cc2cc[nH]n2)C1 ZINC000257284756 190026230 /nfs/dbraw/zinc/02/62/30/190026230.db2.gz PEEKKGGUBSKORB-AWEZNQCLSA-N 1 0 287.411 2.642 40 0 CFABRO CCCn1nccc1-c1cc(C[C@H]2CC[NH2+]C2)ccn1 ZINC000257288103 190027365 /nfs/dbraw/zinc/02/73/65/190027365.db2.gz PSVVGUHSTZXXPR-CQSZACIVSA-N 1 0 270.380 2.507 40 0 CFABRO CN1CCC([N@@H+]2CCC[C@H]2CCc2ccncc2)CC1 ZINC000257269123 190024265 /nfs/dbraw/zinc/02/42/65/190024265.db2.gz MORBFJPBLUNIBE-INIZCTEOSA-N 1 0 273.424 2.573 40 0 CFABRO CCn1nccc1-c1ccc(C[C@@H]2CCC[NH2+]C2)cn1 ZINC000257276013 190024497 /nfs/dbraw/zinc/02/44/97/190024497.db2.gz NRZXXOHRFUKCMT-ZDUSSCGKSA-N 1 0 270.380 2.507 40 0 CFABRO Cc1ncsc1C[N@@H+]1CC[C@H](c2nc(C)cc(C)n2)C1 ZINC000257292844 190027884 /nfs/dbraw/zinc/02/78/84/190027884.db2.gz QNECJCRMIGUYHG-ZDUSSCGKSA-N 1 0 288.420 2.848 40 0 CFABRO COc1ccc(C[C@H]2CC3(CO2)CC[NH+](C)CC3)cc1 ZINC000257293443 190028660 /nfs/dbraw/zinc/02/86/60/190028660.db2.gz QPLLGFIYINJIAX-INIZCTEOSA-N 1 0 275.392 2.739 40 0 CFABRO c1ccc(CC[N@@H+]2CCC[C@@H](c3ccncn3)C2)cc1 ZINC000257302388 190030173 /nfs/dbraw/zinc/03/01/73/190030173.db2.gz SCSPBNJZVHWPLS-MRXNPFEDSA-N 1 0 267.376 2.899 40 0 CFABRO Cc1cccc(Nc2cccc(C3CC[NH2+]CC3)n2)n1 ZINC000257308413 190030862 /nfs/dbraw/zinc/03/08/62/190030862.db2.gz TWPWMVMPFDQAFZ-UHFFFAOYSA-N 1 0 268.364 2.996 40 0 CFABRO C[N@@H+]1CCC[C@H](c2cccc(NCc3ccccn3)n2)C1 ZINC000257331933 190035804 /nfs/dbraw/zinc/03/58/04/190035804.db2.gz XUYOVMLFNDYUFZ-AWEZNQCLSA-N 1 0 282.391 2.898 40 0 CFABRO CCn1nccc1-c1cnc([C@H]2CCC[N@@H+]2C(C)C)cn1 ZINC000257334476 190036665 /nfs/dbraw/zinc/03/66/65/190036665.db2.gz YGBLIMPEFMSUJM-OAHLLOKOSA-N 1 0 285.395 2.905 40 0 CFABRO CCn1cc(C[N@@H+]2CCC[C@@H](c3ccnc(C)n3)C2)c(C)n1 ZINC000257334495 190036688 /nfs/dbraw/zinc/03/66/88/190036688.db2.gz YGEUNEUSAQGTJD-OAHLLOKOSA-N 1 0 299.422 2.689 40 0 CFABRO CCn1nccc1-c1nccnc1[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000257341198 190036855 /nfs/dbraw/zinc/03/68/55/190036855.db2.gz ZJGTWBINSQQIPP-CQSZACIVSA-N 1 0 299.422 2.948 40 0 CFABRO CNc1cc([C@H]2CCC[N@@H+]2Cc2cccnc2)ccn1 ZINC000257340217 190037346 /nfs/dbraw/zinc/03/73/46/190037346.db2.gz ZFCLNCQETPYXLN-OAHLLOKOSA-N 1 0 268.364 2.855 40 0 CFABRO C[C@@]1(CNC(=O)OCc2ccccc2)CCC[NH2+]CC1 ZINC000261508488 190040010 /nfs/dbraw/zinc/04/00/10/190040010.db2.gz TWBGIUOWKLGALC-MRXNPFEDSA-N 1 0 276.380 2.693 40 0 CFABRO [NH3+][C@H]1CC[C@H](Oc2ccc(C(F)(F)F)cn2)CC1 ZINC000299910026 382052144 /nfs/dbraw/zinc/05/21/44/382052144.db2.gz PSKDPLYVBXKMIY-MGCOHNPYSA-N 1 0 260.259 2.749 40 0 CFABRO Cc1ccc(C(=O)NCC[NH+]2CCCCC2)c(Cl)c1 ZINC000191181107 382694613 /nfs/dbraw/zinc/69/46/13/382694613.db2.gz FYQFSHLLNOHKNQ-UHFFFAOYSA-N 1 0 280.799 2.864 40 0 CFABRO CCn1cc(Cc2ccccc2Br)[nH+]c1N ZINC000199550039 382771967 /nfs/dbraw/zinc/77/19/67/382771967.db2.gz MKPZJVPOVBGJOZ-UHFFFAOYSA-N 1 0 280.169 2.839 40 0 CFABRO CCOC(=O)[C@H](C[NH3+])[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000216351030 382783076 /nfs/dbraw/zinc/78/30/76/382783076.db2.gz MHWVLKHJFWLYSC-FUTJPDQTSA-N 1 0 253.386 2.587 40 0 CFABRO Cc1nn(Cc2ccccc2)c(C)c1[C@H]1CCC[NH2+]1 ZINC000217458941 382786707 /nfs/dbraw/zinc/78/67/07/382786707.db2.gz QCHALUNMFLWMBH-OAHLLOKOSA-N 1 0 255.365 2.973 40 0 CFABRO Cc1ccc(-c2ccc3nnc([C@@H]4CCC[NH2+]4)n3n2)cc1 ZINC000217555623 382786753 /nfs/dbraw/zinc/78/67/53/382786753.db2.gz LICQPXMVCKXMLA-AWEZNQCLSA-N 1 0 279.347 2.524 40 0 CFABRO CC(C)[C@@H]([NH3+])c1nnc2ccc(-c3ccc(F)cc3)nn21 ZINC000217564775 382786905 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/nfs/dbraw/zinc/78/35/34/327783534.db2.gz LMCGCCHIWQIUAS-UHFFFAOYSA-N 1 0 281.363 2.618 40 0 CFABRO O=C(O[C@H]1CC[NH2+][C@H]2CCCC[C@@H]21)c1ccccc1 ZINC000004015790 326809249 /nfs/dbraw/zinc/80/92/49/326809249.db2.gz MHURPUBOKOVYBH-KKUMJFAQSA-N 1 0 259.349 2.764 40 0 CFABRO C[C@@H](CN1C[C@H]2CCC[N@@H+]2C[C@@H]1C)c1ccccc1 ZINC000248143673 334296003 /nfs/dbraw/zinc/29/60/03/334296003.db2.gz DARBCOQPEQLZDT-YQQAZPJKSA-N 1 0 258.409 2.959 40 0 CFABRO CC(C)c1cc(N2CC[NH+](C)CC2)nc2c(O)cccc12 ZINC000685938489 545575986 /nfs/dbraw/zinc/57/59/86/545575986.db2.gz VIGOUHVFASKREO-UHFFFAOYSA-N 1 0 285.391 2.816 40 0 CFABRO COCC[NH2+]Cc1ccc(-c2ccc([C@H](C)O)cc2)o1 ZINC000007541201 230370191 /nfs/dbraw/zinc/37/01/91/230370191.db2.gz AYNHHXLHOHWHMZ-LBPRGKRZSA-N 1 0 275.348 2.736 40 0 CFABRO [NH3+]Cc1coc(-c2ccccc2Br)n1 ZINC000082556184 178092913 /nfs/dbraw/zinc/09/29/13/178092913.db2.gz BQLZVHZBEXKIGJ-UHFFFAOYSA-N 1 0 253.099 2.563 40 0 CFABRO CCN1C(=O)CC[C@@]12CCC[N@H+](Cc1ccco1)CC2 ZINC000096047488 185073568 /nfs/dbraw/zinc/07/35/68/185073568.db2.gz VGCGCMXCVMEBBU-MRXNPFEDSA-N 1 0 276.380 2.647 40 0 CFABRO c1cc(C[N@H+]2CC[C@H]3[C@H]2CCN3Cc2cccnc2)co1 ZINC000096055835 185075715 /nfs/dbraw/zinc/07/57/15/185075715.db2.gz XEBKOEJBUBNAGX-DLBZAZTESA-N 1 0 283.375 2.523 40 0 CFABRO Cc1occc1C(=O)N1CC[C@H]2[C@H]1CC[N@H+]2CC(C)C ZINC000096055782 185075767 /nfs/dbraw/zinc/07/57/67/185075767.db2.gz BWVCNFGIVYELQT-LSDHHAIUSA-N 1 0 276.380 2.533 40 0 CFABRO COC[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccc(F)cc2)O1 ZINC000096056379 185078080 /nfs/dbraw/zinc/07/80/80/185078080.db2.gz OGHVEFSYHCSWDB-BZUAXINKSA-N 1 0 279.355 2.594 40 0 CFABRO O[C@@H]1CC[N@H+](Cc2ccsc2)[C@H]1Cc1ccccc1 ZINC000096061556 185082905 /nfs/dbraw/zinc/08/29/05/185082905.db2.gz YSHAPCJUJUUQQQ-JKSUJKDBSA-N 1 0 273.401 2.926 40 0 CFABRO CO[C@@H]1CC[N@H+](Cc2cccnc2)[C@H]1Cc1ccccc1 ZINC000096061578 185083142 /nfs/dbraw/zinc/08/31/42/185083142.db2.gz UNXRSVALSSFAIS-ZWKOTPCHSA-N 1 0 282.387 2.914 40 0 CFABRO COC[C@H]1COCCC12CC[NH+](Cc1ccc(C)o1)CC2 ZINC000096106256 185098472 /nfs/dbraw/zinc/09/84/72/185098472.db2.gz FTIPOCJYFJVOPF-HNNXBMFYSA-N 1 0 293.407 2.853 40 0 CFABRO COc1ccc(C[C@H]2C[NH2+]CC[C@@H]2OCC2CC2)cc1 ZINC000096110616 185100803 /nfs/dbraw/zinc/10/08/03/185100803.db2.gz IYBHNONYNBCVCZ-RDJZCZTQSA-N 1 0 275.392 2.642 40 0 CFABRO COc1ccc(C[C@H]2C[N@H+](C)CC[C@H]2OCC2CC2)cc1 ZINC000096110309 185101181 /nfs/dbraw/zinc/10/11/81/185101181.db2.gz YKZMTDUCAUVMRZ-FUHWJXTLSA-N 1 0 289.419 2.985 40 0 CFABRO CCC(CC)C(=O)N1CCC2(CCC[N@@H+]2C)CC1 ZINC000096075204 282146125 /nfs/dbraw/zinc/14/61/25/282146125.db2.gz OPUGOWWOEMDTLJ-UHFFFAOYSA-N 1 0 252.402 2.509 40 0 CFABRO O[C@H]1C[N@@H+]2CC[C@H]1C/C2=C/c1ccnc2ccccc12 ZINC000008628935 346224934 /nfs/dbraw/zinc/22/49/34/346224934.db2.gz YHQXMUZXDKRFTL-VGRKNPAPSA-N 1 0 266.344 2.662 40 0 CFABRO COCC[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000053400153 346545518 /nfs/dbraw/zinc/54/55/18/346545518.db2.gz MWQZZVGKDNDBNS-CQSZACIVSA-N 1 0 277.364 2.631 40 0 CFABRO Brc1ccc([C@@H]2C[C@H]2C[NH+]2CCOCC2)cc1 ZINC000217808153 348165034 /nfs/dbraw/zinc/16/50/34/348165034.db2.gz IPELTGMLRHJEAJ-JSGCOSHPSA-N 1 0 296.208 2.885 40 0 CFABRO C[C@@H]([NH2+]Cc1ccccc1)C(=O)c1ccc2c(c1)OCO2 ZINC000231158620 348207974 /nfs/dbraw/zinc/20/79/74/348207974.db2.gz KRNIYOJEASBDDP-GFCCVEGCSA-N 1 0 283.327 2.776 40 0 in-vitro CFABRO [NH3+][C@@]1(C(=O)OCc2ccccc2)CC2CCC1CC2 ZINC000253183550 348300150 /nfs/dbraw/zinc/30/01/50/348300150.db2.gz LIRJXNYQDKBOJE-PXCJXSSVSA-N 1 0 259.349 2.637 40 0 CFABRO CC(C)(C)OC(=O)N(CC(F)(F)F)[C@H]1CCC[C@H]1[NH3+] ZINC000409442508 348602422 /nfs/dbraw/zinc/60/24/22/348602422.db2.gz WDYUJROINIVUEA-BDAKNGLRSA-N 1 0 282.306 2.666 40 0 CFABRO Cc1ccc(Cl)c(OC[C@@]2(O)CCC[NH2+]CC2)c1 ZINC000399513385 348569518 /nfs/dbraw/zinc/56/95/18/348569518.db2.gz LPQXATKEGNWPTM-CQSZACIVSA-N 1 0 269.772 2.532 40 0 CFABRO Cc1n[nH]cc1C[N@@H+]1CCC[C@H](O)[C@@H]1Cc1ccc(C)cc1 ZINC000585274833 348738652 /nfs/dbraw/zinc/73/86/52/348738652.db2.gz PAWIESMOTPQGOJ-ROUUACIJSA-N 1 0 299.418 2.595 40 0 CFABRO CCOC[C@@H]1CC[N@H+](C)C2(CN(Cc3cccs3)C2)C1 ZINC000585103311 348734203 /nfs/dbraw/zinc/73/42/03/348734203.db2.gz UKMPVSFHSNBBMM-CQSZACIVSA-N 1 0 294.464 2.681 40 0 CFABRO COCC[C@H]1CCOC12CC[NH+](Cc1ccoc1)CC2 ZINC000585102606 348734313 /nfs/dbraw/zinc/73/43/13/348734313.db2.gz CABCSTGVFSCAFZ-HNNXBMFYSA-N 1 0 279.380 2.687 40 0 CFABRO CCOC[C@@H]1CC[N@H+](C)C2(CN(Cc3ccsc3)C2)C1 ZINC000585103014 348734454 /nfs/dbraw/zinc/73/44/54/348734454.db2.gz OBFZRFDAPGMJRP-CQSZACIVSA-N 1 0 294.464 2.681 40 0 CFABRO C(O[C@@H]1CSC2(C[NH+](C3CCC3)C2)C1)C1CCOCC1 ZINC000585105447 348734580 /nfs/dbraw/zinc/73/45/80/348734580.db2.gz WRUMHOXFCKEYOJ-HNNXBMFYSA-N 1 0 297.464 2.542 40 0 CFABRO Cc1ccc(C[N@@H+]2C[C@@H]3[C@H](CC(=O)NC(C)C)[C@@H]3C2)s1 ZINC000107745867 186189291 /nfs/dbraw/zinc/18/92/91/186189291.db2.gz RBPYKPOSYIQREI-QDMKHBRRSA-N 1 0 292.448 2.649 40 0 CFABRO Cc1sccc1C(=O)N1CCC2(CC([NH+](C)C)C2)C1 ZINC000108525462 186221242 /nfs/dbraw/zinc/22/12/42/186221242.db2.gz HMZJXWFXQIMCIB-UHFFFAOYSA-N 1 0 278.421 2.613 40 0 CFABRO CNC(=O)[C@@H]1CCC[C@]12CC[N@H+](Cc1ccccc1F)C2 ZINC000108535627 186222035 /nfs/dbraw/zinc/22/20/35/186222035.db2.gz CRHJRCCHXPVQGF-WMLDXEAASA-N 1 0 290.382 2.564 40 0 CFABRO C[NH+]1CCC(CCNC(=O)/C=C/c2ccc(F)cc2)CC1 ZINC000156361537 188257458 /nfs/dbraw/zinc/25/74/58/188257458.db2.gz PNUWHHLEYQOGHC-QPJJXVBHSA-N 1 0 290.382 2.687 40 0 CFABRO CC(C)(C)Nc1nc(NCc2cccnc2)cc(C2CC2)[nH+]1 ZINC000329024540 202157431 /nfs/dbraw/zinc/15/74/31/202157431.db2.gz PAUBTTDOTUHYDX-UHFFFAOYSA-N 1 0 297.406 2.993 40 0 CFABRO C[N@@H+]1CCC[C@@H](Cc2cccc(Br)n2)C1 ZINC000205698473 540880915 /nfs/dbraw/zinc/88/09/15/540880915.db2.gz KINSITRTXMZDAK-JTQLQIEISA-N 1 0 269.186 2.728 40 0 CFABRO C[NH+]1CCC(OC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000000005501 371507557 /nfs/dbraw/zinc/50/75/57/371507557.db2.gz UTMUNUADNIHAHH-UHFFFAOYSA-N 1 0 268.744 2.983 40 0 CFABRO Cc1cccc(Cl)c1NC(=O)CSCC[NH+](C)C ZINC000001587103 371684459 /nfs/dbraw/zinc/68/44/59/371684459.db2.gz FPWNQEZLBGMHJV-UHFFFAOYSA-N 1 0 286.828 2.882 40 0 CFABRO COC(=O)C1CC[NH+](Cc2c[nH]c3ccccc23)CC1 ZINC000001664916 371692371 /nfs/dbraw/zinc/69/23/71/371692371.db2.gz MFLWNXUSRQKJLH-UHFFFAOYSA-N 1 0 272.348 2.553 40 0 CFABRO CCN(CC)C(=O)C1CC[NH+](CCc2ccccc2)CC1 ZINC000001668184 371693974 /nfs/dbraw/zinc/69/39/74/371693974.db2.gz NCUHQQSVBRBMNV-UHFFFAOYSA-N 1 0 288.435 2.810 40 0 CFABRO CC[NH+](CC)C(C)(C)COC(=O)c1ccc(N)cc1 ZINC000001671733 371695062 /nfs/dbraw/zinc/69/50/62/371695062.db2.gz ODGSDHOKBMEHGZ-UHFFFAOYSA-N 1 0 264.369 2.546 40 0 CFABRO Cc1cccc(OC[C@H](O)C[NH+]2CCC(C)CC2)c1C ZINC000004305016 371848878 /nfs/dbraw/zinc/84/88/78/371848878.db2.gz GGAGUBRWSUDTER-MRXNPFEDSA-N 1 0 277.408 2.775 40 0 CFABRO C[C@H]1CCC[C@@H]1OC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000010434841 371908573 /nfs/dbraw/zinc/90/85/73/371908573.db2.gz KSIMRCJXVNOUTP-QGTPRVQTSA-N 1 0 289.419 2.611 40 0 CFABRO COc1cccc(C[N@H+](CCO)Cc2cccs2)c1 ZINC000013997416 372057163 /nfs/dbraw/zinc/05/71/63/372057163.db2.gz HFOMCIMXCDBNQT-UHFFFAOYSA-N 1 0 277.389 2.751 40 0 CFABRO CC(C)OCCC[N@@H+](Cc1ccncc1)C[C@@H]1CCOC1 ZINC000013989543 372057251 /nfs/dbraw/zinc/05/72/51/372057251.db2.gz LSSCYRAXBLRYAS-KRWDZBQOSA-N 1 0 292.423 2.735 40 0 CFABRO COc1ccc(C[NH2+]CCc2ccc(O)cc2)cc1OC ZINC000014614533 372070700 /nfs/dbraw/zinc/07/07/00/372070700.db2.gz BFMBGIKCZZXOGS-UHFFFAOYSA-N 1 0 287.359 2.742 40 0 CFABRO [NH3+]CCN(CCc1ccccc1)CCc1ccccc1 ZINC000019365521 372155901 /nfs/dbraw/zinc/15/59/01/372155901.db2.gz XCQGROORFRNGQL-UHFFFAOYSA-N 1 0 268.404 2.733 40 0 CFABRO CN(C)CC[NH2+][C@@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000019367683 372158226 /nfs/dbraw/zinc/15/82/26/372158226.db2.gz YKMZEBJFTJPMGZ-ROUUACIJSA-N 1 0 284.403 2.613 40 0 CFABRO CC[C@H]1C[NH2+]Cc2cc3c(OC)ccc(OC)c3nc2O1 ZINC000019500974 372170047 /nfs/dbraw/zinc/17/00/47/372170047.db2.gz WHOVAVWIEXSZGN-NSHDSACASA-N 1 0 288.347 2.513 40 0 CFABRO C1=C[C@H]2C[C@@H]1C[C@H]2C[NH+]1CCN(C2CCCC2)CC1 ZINC000019790022 372188216 /nfs/dbraw/zinc/18/82/16/372188216.db2.gz WWMADOQKXVKTKF-PMPSAXMXSA-N 1 0 260.425 2.759 40 0 CFABRO CC(C)(C)OC(=O)NC[C@H]([NH3+])c1ccccc1Cl ZINC000019796135 372189853 /nfs/dbraw/zinc/18/98/53/372189853.db2.gz FXBQVCOUHWUKDC-NSHDSACASA-N 1 0 270.760 2.865 40 0 CFABRO [NH3+]Cc1nc2cc(OCc3ccccc3)ccc2[nH]1 ZINC000026443823 372320139 /nfs/dbraw/zinc/32/01/39/372320139.db2.gz HFYUVXOTCMQHTO-UHFFFAOYSA-N 1 0 253.305 2.601 40 0 CFABRO [NH3+]C1CCN(Cc2cccc(Cl)c2Cl)CC1 ZINC000032023005 372424992 /nfs/dbraw/zinc/42/49/92/372424992.db2.gz GHCVKTXELROHMK-UHFFFAOYSA-N 1 0 259.180 2.917 40 0 CFABRO O=C(c1cccc(Cl)c1)N1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC000033426311 372494983 /nfs/dbraw/zinc/49/49/83/372494983.db2.gz QXCBXSWHPQACJV-MRXNPFEDSA-N 1 0 292.810 2.946 40 0 CFABRO Cc1cc([C@@H]([NH3+])CNC(=O)OC(C)(C)C)ccc1F ZINC000034781559 372513906 /nfs/dbraw/zinc/51/39/06/372513906.db2.gz RPMXTRFQCUSGND-LBPRGKRZSA-N 1 0 268.332 2.659 40 0 CFABRO C[C@@H]1CCC[N@H+](CCCNC(=O)Cc2ccc(F)cc2)C1 ZINC000046958819 373073142 /nfs/dbraw/zinc/07/31/42/373073142.db2.gz QNKQUIBNSCPPHH-CQSZACIVSA-N 1 0 292.398 2.606 40 0 CFABRO CC(C)(C)C[N@@H+]1CC[C@H](c2nnc(-c3ccncc3)o2)C1 ZINC000049169604 373273458 /nfs/dbraw/zinc/27/34/58/373273458.db2.gz RXSGQCRKEWYPMQ-ZDUSSCGKSA-N 1 0 286.379 2.967 40 0 biogenic,in-vitro CFABRO CC(C)[N@@H+]1CC[C@H](c2nnc(-c3ccccc3)o2)C1 ZINC000049169372 373273473 /nfs/dbraw/zinc/27/34/73/373273473.db2.gz PHZRSRXYLMZSNW-ZDUSSCGKSA-N 1 0 257.337 2.934 40 0 biogenic,in-vitro CFABRO CCC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000052527967 373446073 /nfs/dbraw/zinc/44/60/73/373446073.db2.gz VMMLMODMWNYUCK-UHFFFAOYSA-N 1 0 260.381 2.699 40 0 CFABRO O=C(NCCC[NH+]1CCCCCC1)C1CCCC1 ZINC000057288854 373583445 /nfs/dbraw/zinc/58/34/45/373583445.db2.gz CYBVXHSEGIPANE-UHFFFAOYSA-N 1 0 252.402 2.559 40 0 CFABRO c1ccc2c(c1)nc(C1CC1)n2C[C@H]1CCC[NH2+]C1 ZINC000057865716 373617026 /nfs/dbraw/zinc/61/70/26/373617026.db2.gz KGNJGTZIVOKTMW-LBPRGKRZSA-N 1 0 255.365 2.913 40 0 CFABRO c1ccc(C[C@@H]2C[NH2+]CCN2Cc2ccccc2)cc1 ZINC000062662894 373761126 /nfs/dbraw/zinc/76/11/26/373761126.db2.gz NUGGDPZUASKXAU-GOSISDBHSA-N 1 0 266.388 2.703 40 0 biogenic,in-vitro CFABRO c1ccc(C[C@H]2C[NH2+]CCN2Cc2ccccc2)cc1 ZINC000062662896 373761225 /nfs/dbraw/zinc/76/12/25/373761225.db2.gz NUGGDPZUASKXAU-SFHVURJKSA-N 1 0 266.388 2.703 40 0 biogenic,in-vitro CFABRO COc1ccccc1CN1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000063527655 373809578 /nfs/dbraw/zinc/80/95/78/373809578.db2.gz JDFVAHRZXQDXAO-KRWDZBQOSA-N 1 0 274.408 2.613 40 0 CFABRO C[NH+]1CCC(CC(=O)NCc2ccccc2Cl)CC1 ZINC000074920916 374446451 /nfs/dbraw/zinc/44/64/51/374446451.db2.gz JTKCTEZKFOGPRD-UHFFFAOYSA-N 1 0 280.799 2.688 40 0 CFABRO CCc1ccccc1NC(=O)CC1CC[NH+](C)CC1 ZINC000074920992 374446531 /nfs/dbraw/zinc/44/65/31/374446531.db2.gz NVIZAMQWEUSYAW-UHFFFAOYSA-N 1 0 260.381 2.919 40 0 CFABRO CCc1ccc(NC(=O)CC2CC[NH+](C)CC2)cc1 ZINC000074920993 374446700 /nfs/dbraw/zinc/44/67/00/374446700.db2.gz XKDXJPDFDWDOFD-UHFFFAOYSA-N 1 0 260.381 2.919 40 0 CFABRO C[C@H]([NH3+])C(=O)N(Cc1cc(Cl)ccc1Cl)C1CC1 ZINC000079420328 374610025 /nfs/dbraw/zinc/61/00/25/374610025.db2.gz XBNBLYDUTXHWFL-QMMMGPOBSA-N 1 0 287.190 2.832 40 0 CFABRO CCN(Cc1cccc(Cl)c1Cl)C(=O)[C@H](C)[NH3+] ZINC000079420918 374610420 /nfs/dbraw/zinc/61/04/20/374610420.db2.gz HIUYPLOBHHPIHS-QMMMGPOBSA-N 1 0 275.179 2.689 40 0 CFABRO O=C(OCc1ccccc1)N(C1CC1)[C@@H]1CCC[NH2+]C1 ZINC000079437890 374611681 /nfs/dbraw/zinc/61/16/81/374611681.db2.gz UMTXEPOPQRZXII-OAHLLOKOSA-N 1 0 274.364 2.540 40 0 CFABRO O=C(OCc1ccccc1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000079437882 374611829 /nfs/dbraw/zinc/61/18/29/374611829.db2.gz CACUCJMUOJXKAP-CQSZACIVSA-N 1 0 274.364 2.540 40 0 CFABRO O=C(OCc1ccccc1)N1CCC[C@@H](C[NH2+]C2CC2)C1 ZINC000079437290 374611890 /nfs/dbraw/zinc/61/18/90/374611890.db2.gz YAERNHAOGDITIU-HNNXBMFYSA-N 1 0 288.391 2.787 40 0 CFABRO O=C(OCc1ccccc1)N(C1CC1)C1CC[NH2+]CC1 ZINC000079437903 374612252 /nfs/dbraw/zinc/61/22/52/374612252.db2.gz NKCQRQSSMCAOOX-UHFFFAOYSA-N 1 0 274.364 2.540 40 0 CFABRO Cc1ccsc1[C@@H](C)[NH2+]CC[C@@H](C)[S@](C)=O ZINC000090517344 375017822 /nfs/dbraw/zinc/01/78/22/375017822.db2.gz RQXJMLJYZDTQFO-GLKRBJQHSA-N 1 0 259.440 2.864 40 0 CFABRO Nc1cccnc1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000095079709 375408761 /nfs/dbraw/zinc/40/87/61/375408761.db2.gz PFHDYPGBVBYERH-UHFFFAOYSA-N 1 0 282.391 2.740 40 0 CFABRO NC(=O)N1CCC2(CC1)CC[NH+](Cc1cccs1)CC2 ZINC000096158373 375470655 /nfs/dbraw/zinc/47/06/55/375470655.db2.gz SVHNRSHJSSGHLN-UHFFFAOYSA-N 1 0 293.436 2.505 40 0 CFABRO CC(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)Cc1ccsc1 ZINC000096184297 375474693 /nfs/dbraw/zinc/47/46/93/375474693.db2.gz NJRFKHNPVHUAKS-LSDHHAIUSA-N 1 0 292.448 2.622 40 0 CFABRO O=C1C[C@H]2[C@@H](CC[N@@H+]2Cc2ccncc2)N1c1ccsc1 ZINC000096184120 375475305 /nfs/dbraw/zinc/47/53/05/375475305.db2.gz VCDMDWXGKXVOIJ-CABCVRRESA-N 1 0 299.399 2.523 40 0 CFABRO c1csc(C[N@H+]2C[C@@H]3COC[C@]3(COCC3CC3)C2)c1 ZINC000096208900 375476770 /nfs/dbraw/zinc/47/67/70/375476770.db2.gz SHEDCTVZDQVTDH-GDBMZVCRSA-N 1 0 293.432 2.623 40 0 CFABRO Cc1ccncc1COC[C@@]12CCC[C@@H]1C[N@@H+](C)C2 ZINC000096206940 375477565 /nfs/dbraw/zinc/47/75/65/375477565.db2.gz PXXGQOUFYYRCDU-CVEARBPZSA-N 1 0 260.381 2.639 40 0 CFABRO c1cc(C[NH+]2CCC3(C[C@H](OCC4CC4)CO3)CC2)co1 ZINC000096208996 375477826 /nfs/dbraw/zinc/47/78/26/375477826.db2.gz RYEKQACXHRIAGI-INIZCTEOSA-N 1 0 291.391 2.830 40 0 CFABRO COCC[C@H]1CO[C@@]2(CC[N@H+](CCc3ccccc3)C2)C1 ZINC000096218261 375479719 /nfs/dbraw/zinc/47/97/19/375479719.db2.gz CJGSUPVBJMPBTM-MSOLQXFVSA-N 1 0 289.419 2.747 40 0 CFABRO [NH3+]C[C@@H](NC(=O)OCc1ccccc1)C1CCCCC1 ZINC000096295494 375484100 /nfs/dbraw/zinc/48/41/00/375484100.db2.gz LOHYRTJICSXCPL-OAHLLOKOSA-N 1 0 276.380 2.820 40 0 CFABRO COc1cccc(C[NH2+]Cc2ccnn2C(C)C)c1 ZINC000256053618 190004999 /nfs/dbraw/zinc/00/49/99/190004999.db2.gz SDEFPFNREDYSGR-UHFFFAOYSA-N 1 0 259.353 2.762 40 0 CFABRO CC[C@H](C)n1nccc1C[NH2+]Cc1cn(CC)nc1C ZINC000256051276 190003497 /nfs/dbraw/zinc/00/34/97/190003497.db2.gz IMTUBWODTGYPLL-LBPRGKRZSA-N 1 0 275.400 2.669 40 0 CFABRO CCCn1nccc1C[NH2+]Cc1cc(F)cc(F)c1 ZINC000256051152 190003689 /nfs/dbraw/zinc/00/36/89/190003689.db2.gz HZDHGDQEXOSJAZ-UHFFFAOYSA-N 1 0 265.307 2.861 40 0 CFABRO CCCn1nccc1C[NH2+]Cc1ccc(OCC)cc1 ZINC000256052193 190004327 /nfs/dbraw/zinc/00/43/27/190004327.db2.gz MHJNXSYNQAYNKM-UHFFFAOYSA-N 1 0 273.380 2.982 40 0 CFABRO CCCn1nccc1-c1ccc(C[C@@H]2CC[N@H+](C)C2)cn1 ZINC000257217874 190013610 /nfs/dbraw/zinc/01/36/10/190013610.db2.gz DAYRYAKCNWHCPZ-HNNXBMFYSA-N 1 0 284.407 2.849 40 0 CFABRO CCc1nc(C)c(C[N@@H+]2CCC[C@H](c3n[nH]cc3C)C2)[nH]1 ZINC000257216258 190014259 /nfs/dbraw/zinc/01/42/59/190014259.db2.gz CTSJOXXEHIYPNV-ZDUSSCGKSA-N 1 0 287.411 2.692 40 0 CFABRO CCn1cc(C[N@@H+]2CCC[C@@H](c3nc(C)c[nH]3)C2)c(C)n1 ZINC000257238787 190017567 /nfs/dbraw/zinc/01/75/67/190017567.db2.gz HMNGQUMLNNJYFP-CQSZACIVSA-N 1 0 287.411 2.623 40 0 CFABRO COc1cc(C[N@@H+]2CC[C@@H](c3nc(C)c[nH]3)C2)ccc1F ZINC000257240768 190018661 /nfs/dbraw/zinc/01/86/61/190018661.db2.gz HVDFLWQRCSYACW-CYBMUJFWSA-N 1 0 289.354 2.855 40 0 CFABRO Cc1nc(Nc2cc(C)nc([C@@H]3CC[NH2+]C3)n2)sc1C ZINC000257244645 190019233 /nfs/dbraw/zinc/01/92/33/190019233.db2.gz IMEVKBNIISBWLB-LLVKDONJSA-N 1 0 289.408 2.679 40 0 CFABRO CCn1nccc1-c1cccc(CC2CC[NH2+]CC2)n1 ZINC000257247939 190019291 /nfs/dbraw/zinc/01/92/91/190019291.db2.gz JBFRXFUPFVSHBF-UHFFFAOYSA-N 1 0 270.380 2.507 40 0 CFABRO Cc1c[nH]nc1[C@@H]1CC[N@H+](CCOc2ccccc2)C1 ZINC000257265434 190023250 /nfs/dbraw/zinc/02/32/50/190023250.db2.gz LYQFJNQCQHRKRS-CQSZACIVSA-N 1 0 271.364 2.586 40 0 CFABRO Cc1nccc(C[NH+]2CCC(Cc3ccncc3)CC2)n1 ZINC000257258816 190021573 /nfs/dbraw/zinc/02/15/73/190021573.db2.gz KVRDWDNNGJZVLL-UHFFFAOYSA-N 1 0 282.391 2.635 40 0 CFABRO c1cc([C@H]2CC[N@@H+](CC3=Cc4ccccc4OC3)C2)n[nH]1 ZINC000257260564 190022410 /nfs/dbraw/zinc/02/24/10/190022410.db2.gz LDKCYBNISURFQB-HNNXBMFYSA-N 1 0 281.359 2.675 40 0 CFABRO Cc1cc(Nc2nccs2)nc([C@@H]2CCCC[NH2+]2)n1 ZINC000257265516 190022818 /nfs/dbraw/zinc/02/28/18/190022818.db2.gz LYYXMUMHJZLEMB-JTQLQIEISA-N 1 0 275.381 2.800 40 0 CFABRO CC(C)[NH+]1CCC(c2cncc(-c3ncco3)n2)CC1 ZINC000257279493 190025453 /nfs/dbraw/zinc/02/54/53/190025453.db2.gz OGWZGOZFGOMXIT-UHFFFAOYSA-N 1 0 272.352 2.719 40 0 CFABRO Cc1cc(-c2nccnc2C2CC[NH+](C(C)C)CC2)n[nH]1 ZINC000257283009 190026091 /nfs/dbraw/zinc/02/60/91/190026091.db2.gz OWIXALICNNMQKN-UHFFFAOYSA-N 1 0 285.395 2.763 40 0 CFABRO CC(C)n1cc(-c2cncc(C[C@@H]3CCC[N@H+](C)C3)n2)cn1 ZINC000257282003 190026288 /nfs/dbraw/zinc/02/62/88/190026288.db2.gz ORWIHYVEJIUGSL-AWEZNQCLSA-N 1 0 299.422 2.805 40 0 CFABRO Cn1cc(C[N@@H+]2CC[C@@]3(C[C@@H](c4ccccc4)CO3)C2)cn1 ZINC000107785067 375810417 /nfs/dbraw/zinc/81/04/17/375810417.db2.gz NISGUEIHBYIOBH-QZTJIDSGSA-N 1 0 297.402 2.569 40 0 CFABRO O=c1c2ccc([C@@H]3CCC[NH2+]3)[nH]c-2cn1Cc1ccccc1 ZINC000257286023 190027335 /nfs/dbraw/zinc/02/73/35/190027335.db2.gz PJWJMFZWCPENIX-HNNXBMFYSA-N 1 0 293.370 2.662 40 0 CFABRO CC(C)n1nccc1-c1cnc(C[C@@H]2CCC[N@H+](C)C2)cn1 ZINC000257271776 190024292 /nfs/dbraw/zinc/02/42/92/190024292.db2.gz MZTBTBLNDMJYLT-AWEZNQCLSA-N 1 0 299.422 2.805 40 0 CFABRO Cc1cc(-c2nccnc2C[C@H]2CCC[N@@H+](C(C)C)C2)n[nH]1 ZINC000257273196 190024705 /nfs/dbraw/zinc/02/47/05/190024705.db2.gz NFPXYBLOKYBVOG-CQSZACIVSA-N 1 0 299.422 2.838 40 0 CFABRO COc1ccc([C@@H]2C[NH2+]CCN2Cc2ccc(C)nc2)cc1 ZINC000257295131 190028603 /nfs/dbraw/zinc/02/86/03/190028603.db2.gz QXBQTNIBAYPFHC-SFHVURJKSA-N 1 0 297.402 2.545 40 0 CFABRO Cc1c(C[N@@H+]2CCC[C@H]2CCc2ccncc2)cnn1C ZINC000257293380 190028736 /nfs/dbraw/zinc/02/87/36/190028736.db2.gz QPFNWDFJGDXFSN-KRWDZBQOSA-N 1 0 284.407 2.721 40 0 CFABRO Cc1csc(Nc2cc([C@H]3CCC[NH2+]C3)nc(C)n2)n1 ZINC000257303312 190030267 /nfs/dbraw/zinc/03/02/67/190030267.db2.gz SGRSXQCRLCYGKN-NSHDSACASA-N 1 0 289.408 2.761 40 0 CFABRO CCn1cc(C[NH+]2CCC(Cc3ccncc3)CC2)cn1 ZINC000257306919 190031380 /nfs/dbraw/zinc/03/13/80/190031380.db2.gz SWOMZKYJHDDXBR-UHFFFAOYSA-N 1 0 284.407 2.753 40 0 CFABRO COc1cc(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)ccc1F ZINC000257327882 190035030 /nfs/dbraw/zinc/03/50/30/190035030.db2.gz XDDBERPXRDVVKF-ZDUSSCGKSA-N 1 0 289.354 2.937 40 0 CFABRO C[NH+]1CCC(c2cccc(NCc3cccnc3)n2)CC1 ZINC000257334288 190035454 /nfs/dbraw/zinc/03/54/54/190035454.db2.gz YFGUZLBWLZUQDF-UHFFFAOYSA-N 1 0 282.391 2.898 40 0 CFABRO O=C(CCc1cccs1)N1CC[C@H]2[NH2+]CCCC[C@H]2C1 ZINC000257335551 190036602 /nfs/dbraw/zinc/03/66/02/190036602.db2.gz YKQJJXIZYIFJSI-DZGCQCFKSA-N 1 0 292.448 2.671 40 0 CFABRO Cc1cc(-c2cnc(C[C@H]3CCC[N@@H+](C(C)C)C3)cn2)n[nH]1 ZINC000257339562 190036810 /nfs/dbraw/zinc/03/68/10/190036810.db2.gz ZCGZQWDJFNJSET-CQSZACIVSA-N 1 0 299.422 2.838 40 0 CFABRO O=C1CC2(CC[NH2+]CC2)Oc2c3ccccc3ccc21 ZINC000011849215 284782415 /nfs/dbraw/zinc/78/24/15/284782415.db2.gz UPIGPAGYEVWMMP-UHFFFAOYSA-N 1 0 267.328 2.927 40 0 CFABRO C[NH+]1CCC2(CCc3ncc(-c4ccncc4)n3C2)CC1 ZINC000306139858 382452257 /nfs/dbraw/zinc/45/22/57/382452257.db2.gz UCRISKULOHTZGS-UHFFFAOYSA-N 1 0 282.391 2.603 40 0 CFABRO Cc1nc(CN2CC[C@H]3[C@H]2CC[N@@H+]3CC2CC2)cs1 ZINC000306139736 382453006 /nfs/dbraw/zinc/45/30/06/382453006.db2.gz TYVSDYQYCMVIRR-LSDHHAIUSA-N 1 0 277.437 2.510 40 0 CFABRO C/C(=C\c1ccccc1)C[N@@H+](C)[C@@H](C)C[S@@](C)=O ZINC000192973517 382714155 /nfs/dbraw/zinc/71/41/55/382714155.db2.gz INVMYADMEPOTCW-GZGXJJEUSA-N 1 0 265.422 2.789 40 0 CFABRO c1csc(-c2ccc(CC3CC[NH2+]CC3)nc2)n1 ZINC000205691690 382773741 /nfs/dbraw/zinc/77/37/41/382773741.db2.gz PDIDJLXTQLWESL-UHFFFAOYSA-N 1 0 259.378 2.747 40 0 CFABRO CCc1ccc(C[NH2+]Cc2ccc(OC)cc2)n1C ZINC000226019589 382824399 /nfs/dbraw/zinc/82/43/99/382824399.db2.gz BENRWXTWWYFCDN-UHFFFAOYSA-N 1 0 258.365 2.886 40 0 CFABRO C(C[C@@H]1CCOC12CC[NH2+]CC2)OCC1CCCC1 ZINC000247816122 383196937 /nfs/dbraw/zinc/19/69/37/383196937.db2.gz BFTHIARZYUZEIH-OAHLLOKOSA-N 1 0 267.413 2.742 40 0 CFABRO CO[C@@H]1CCOC2(CN(Cc3ccc4ccccc4n3)C2)C1 ZINC000247920744 383200490 /nfs/dbraw/zinc/20/04/90/383200490.db2.gz CEWSPJVTCWOUSN-MRXNPFEDSA-N 1 0 298.386 2.615 40 0 CFABRO CC1(C)Oc2c(O)cccc2[C@@H]2O[C@@H]3CC[NH2+]C[C@H]3C[C@H]21 ZINC000257245262 383492915 /nfs/dbraw/zinc/49/29/15/383492915.db2.gz IORYEVBZNMXJDJ-LTZCYQRMSA-N 1 0 289.375 2.619 40 0 CFABRO Cc1cc(-c2cccc([C@H]3CCC[N@@H+](C)C3)n2)n[nH]1 ZINC000257257379 383493568 /nfs/dbraw/zinc/49/35/68/383493568.db2.gz KPJMQYCBTRQZMQ-LBPRGKRZSA-N 1 0 256.353 2.589 40 0 CFABRO OC[C@H](c1ccccc1C(F)(F)F)[NH+]1CCCC1 ZINC000070453363 285288880 /nfs/dbraw/zinc/28/88/80/285288880.db2.gz RTCDFLGYLWEPLT-GFCCVEGCSA-N 1 0 259.271 2.835 40 0 CFABRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCOCC2)nc1C ZINC000072219642 256707284 /nfs/dbraw/zinc/70/72/84/256707284.db2.gz ICPQJJHKCURCBB-INIZCTEOSA-N 1 0 289.423 2.774 40 0 CFABRO CC(=O)c1ccc(NC(=O)C[NH2+]C2CCCCC2)cc1 ZINC000000812219 169680050 /nfs/dbraw/zinc/68/00/50/169680050.db2.gz HPDBYHMHQWXXEW-UHFFFAOYSA-N 1 0 274.364 2.750 40 0 CFABRO Cc1ccc(OC[C@@H](O)C[NH+]2CCCCCC2)cc1 ZINC000005752632 393462721 /nfs/dbraw/zinc/46/27/21/393462721.db2.gz CTDAUTYJSJGOMT-HNNXBMFYSA-N 1 0 263.381 2.611 40 0 CFABRO COCC[NH2+]Cc1cccn1Cc1cccc(C)c1 ZINC000035293111 393520278 /nfs/dbraw/zinc/52/02/78/393520278.db2.gz XHQVWIABPGFLCG-UHFFFAOYSA-N 1 0 258.365 2.581 40 0 CFABRO CC(C)[NH2+]C[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072194536 393642690 /nfs/dbraw/zinc/64/26/90/393642690.db2.gz NJWZLYJHEPVNKI-GFCCVEGCSA-N 1 0 256.390 2.774 40 0 CFABRO CCOC(=O)C[C@@H]([NH2+]C1CC1)c1ccc(F)cc1 ZINC000072210281 393643521 /nfs/dbraw/zinc/64/35/21/393643521.db2.gz RVEHGMQQNKBGJX-CYBMUJFWSA-N 1 0 251.301 2.572 40 0 CFABRO CC(C)[N@@H+]1CCCC[C@@H]1c1cccnc1N1CCOCC1 ZINC000072216242 393645380 /nfs/dbraw/zinc/64/53/80/393645380.db2.gz FYMPNMKYTDBKDR-MRXNPFEDSA-N 1 0 289.423 2.854 40 0 CFABRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCOCC2)nc1C ZINC000072219641 393646133 /nfs/dbraw/zinc/64/61/33/393646133.db2.gz ICPQJJHKCURCBB-MRXNPFEDSA-N 1 0 289.423 2.774 40 0 CFABRO CC[C@H](C)[N@@H+]1CC[C@@]2(C1)CCCN(c1ccc(C)nn1)C2 ZINC000096217098 393817046 /nfs/dbraw/zinc/81/70/46/393817046.db2.gz OUSXKZPZYZMLOP-DOTOQJQBSA-N 1 0 288.439 2.876 40 0 CFABRO C[C@@H]1CCCN([C@H](C[NH3+])c2cncc(Br)c2)C1 ZINC000252486312 393935510 /nfs/dbraw/zinc/93/55/10/393935510.db2.gz IGLNQGPKWSTJQT-ZWNOBZJWSA-N 1 0 298.228 2.576 40 0 CFABRO Cc1cncc([C@@H]2CCCN(c3cc[nH+]cc3)C2)n1 ZINC000257240719 393945227 /nfs/dbraw/zinc/94/52/27/393945227.db2.gz HUVFXEFVXPLRFF-CYBMUJFWSA-N 1 0 254.337 2.564 40 0 CFABRO CC(C)(C)OC(=O)N1[C@H]([C@@H]([NH3+])C(C)(C)C)COC1(C)C ZINC000072208806 397590503 /nfs/dbraw/zinc/59/05/03/397590503.db2.gz KVOZJTFIUREUSI-WDEREUQCSA-N 1 0 286.416 2.732 40 0 CFABRO CC(C)[C@@H](NC(=O)OC(C)(C)C)[C@@H]([NH3+])C(C)(C)C ZINC000072208959 397590560 /nfs/dbraw/zinc/59/05/60/397590560.db2.gz AOFPFNVVWPZLMO-GHMZBOCLSA-N 1 0 258.406 2.909 40 0 CFABRO OC1CC[NH+](C2(c3ccc(Cl)cc3)CC2)CC1 ZINC000014000053 304821906 /nfs/dbraw/zinc/82/19/06/304821906.db2.gz BVPIRWDVOPMPPZ-UHFFFAOYSA-N 1 0 251.757 2.786 40 0 CFABRO C[NH2+][C@H](COC(=O)c1ccc(N)cc1)C1CCCCC1 ZINC000001710475 169747712 /nfs/dbraw/zinc/74/77/12/169747712.db2.gz WRTHLLRKQBREKI-OAHLLOKOSA-N 1 0 276.380 2.594 40 0 CFABRO CC[NH+](CC)CCC[C@H](C)NC(=O)OCC(C)C ZINC000002044173 169771590 /nfs/dbraw/zinc/77/15/90/169771590.db2.gz BYZYPZKKNUJFMD-ZDUSSCGKSA-N 1 0 258.406 2.879 40 0 CFABRO Cc1ccc(/C(Cl)=C/C=[N+]2CCOCC2)cc1 ZINC000005927985 170156600 /nfs/dbraw/zinc/15/66/00/170156600.db2.gz OZHGOMGFGLPNMC-NSIKDUERSA-N 1 0 250.749 2.688 40 0 CFABRO C/C=C\[C@](O)(C(=O)OC1CC[NH+](C)CC1)C1CCCCC1 ZINC000005954583 170162139 /nfs/dbraw/zinc/16/21/39/170162139.db2.gz MGXDQTQGWGFXKM-JMTCBFGJSA-N 1 0 295.423 2.511 40 0 CFABRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc2ccccc2n1 ZINC000019575768 170828290 /nfs/dbraw/zinc/82/82/90/170828290.db2.gz JFSAATSINZRPLA-WMLDXEAASA-N 1 0 281.403 2.903 40 0 CFABRO CC(C)(C)OC(=O)NC[C@H]([NH3+])c1ccc(Cl)cc1 ZINC000019796183 170869304 /nfs/dbraw/zinc/86/93/04/170869304.db2.gz DLXYTYBSFHTRKZ-NSHDSACASA-N 1 0 270.760 2.865 40 0 CFABRO Clc1cccc(-c2noc(C3CC[NH2+]CC3)n2)c1 ZINC000020268750 171124653 /nfs/dbraw/zinc/12/46/53/171124653.db2.gz MATPKPGBZPMVPS-UHFFFAOYSA-N 1 0 263.728 2.857 40 0 CFABRO CCOc1ccccc1-c1noc(C2CC[NH2+]CC2)n1 ZINC000020268753 171124778 /nfs/dbraw/zinc/12/47/78/171124778.db2.gz VKSSGFTWONCXIM-UHFFFAOYSA-N 1 0 273.336 2.602 40 0 CFABRO CCOc1ccccc1O[C@@H](c1ccccc1)[C@H](O)C[NH3+] ZINC000022048392 171350837 /nfs/dbraw/zinc/35/08/37/171350837.db2.gz NSRLBJFRMMPGOK-PBHICJAKSA-N 1 0 287.359 2.525 40 0 in-vitro CFABRO c1ncn(CC[NH2+]C(c2ccccc2)c2ccccc2)n1 ZINC000022115179 171353064 /nfs/dbraw/zinc/35/30/64/171353064.db2.gz UODDNIFKMNEDCJ-UHFFFAOYSA-N 1 0 278.359 2.657 40 0 CFABRO CC[NH+](CC)CCCNc1nc2ccccc2n1C ZINC000035167700 172026953 /nfs/dbraw/zinc/02/69/53/172026953.db2.gz YHJLAPCZYQNTKM-UHFFFAOYSA-N 1 0 260.385 2.717 40 0 CFABRO CC(C)(C)c1ccc(OCCN2CCC[NH2+]CC2)cc1 ZINC000037399977 173177532 /nfs/dbraw/zinc/17/75/32/173177532.db2.gz JKKXFGOHKFOPPC-UHFFFAOYSA-N 1 0 276.424 2.658 40 0 CFABRO CC(C)(C)OC(=O)NCc1ccc(Cl)cc1C[NH3+] ZINC000038303497 174138818 /nfs/dbraw/zinc/13/88/18/174138818.db2.gz JWQXARVKTIKFTR-UHFFFAOYSA-N 1 0 270.760 2.823 40 0 CFABRO CCCn1c2cc(Cl)ccc2nc1CCC[NH3+] ZINC000040417589 174255964 /nfs/dbraw/zinc/25/59/64/174255964.db2.gz APOMOCBFTBLBJU-UHFFFAOYSA-N 1 0 251.761 2.991 40 0 CFABRO O=C(Nc1ccc(F)c(C(F)(F)F)c1)C1CC[NH2+]CC1 ZINC000040713151 174381537 /nfs/dbraw/zinc/38/15/37/174381537.db2.gz SKPUHWZWXQDEEA-UHFFFAOYSA-N 1 0 290.260 2.783 40 0 CFABRO O=C(c1ccc(Br)cc1F)C1CC[NH2+]CC1 ZINC000044713522 175235734 /nfs/dbraw/zinc/23/57/34/175235734.db2.gz SMAUOXSUQRAJPQ-UHFFFAOYSA-N 1 0 286.144 2.771 40 0 CFABRO CC1(C)[NH2+]CCO[C@@H]1c1ccccc1Br ZINC000071601320 176228437 /nfs/dbraw/zinc/22/84/37/176228437.db2.gz KSXAIJANNQJAAW-LLVKDONJSA-N 1 0 270.170 2.889 40 0 CFABRO [NH3+]C1CCN(Cc2cc(Cl)ccc2Cl)CC1 ZINC000072203560 176341435 /nfs/dbraw/zinc/34/14/35/176341435.db2.gz IVHJZSXTTMWNLC-UHFFFAOYSA-N 1 0 259.180 2.917 40 0 CFABRO CCCOc1ccc(-c2noc([C@H]3CCC[NH2+]C3)n2)cc1 ZINC000072226846 176343294 /nfs/dbraw/zinc/34/32/94/176343294.db2.gz AQEUOSQBQJVCAH-ZDUSSCGKSA-N 1 0 287.363 2.992 40 0 CFABRO COCc1cc(C[C@@H]2C[C@H]([NH2+]C(C)C)C2(C)C)no1 ZINC000072320763 176368805 /nfs/dbraw/zinc/36/88/05/176368805.db2.gz MGZYTPMIICOGNL-RISCZKNCSA-N 1 0 266.385 2.776 40 0 biogenic,in-vitro CFABRO CNC(=O)c1sc2ccccc2c1C[C@H]1CCCC[NH2+]1 ZINC000072343639 176371883 /nfs/dbraw/zinc/37/18/83/176371883.db2.gz DCMOWVIXQCHEGD-LLVKDONJSA-N 1 0 288.416 2.946 40 0 CFABRO COCC[N@@H+]1CCC[C@H]1c1ccnc(-c2ccccc2)n1 ZINC000072355797 176375051 /nfs/dbraw/zinc/37/50/51/176375051.db2.gz KVPMACSBIQTAFT-INIZCTEOSA-N 1 0 283.375 2.927 40 0 CFABRO COc1cccc(-c2nccnc2[C@@H]2CCC[NH2+]C2)c1 ZINC000072356382 176375435 /nfs/dbraw/zinc/37/54/35/176375435.db2.gz MSGQYNCRZMNWIG-CYBMUJFWSA-N 1 0 269.348 2.619 40 0 CFABRO CC(C)[NH+]1CCC(c2cncc(-c3ccc(N)nc3)n2)CC1 ZINC000072359300 176376625 /nfs/dbraw/zinc/37/66/25/176376625.db2.gz MPQUCYZUEYAHKL-UHFFFAOYSA-N 1 0 297.406 2.709 40 0 CFABRO c1cncc(CNc2cc(CC[C@@H]3CCCC[NH2+]3)ncn2)c1 ZINC000072364745 176380154 /nfs/dbraw/zinc/38/01/54/176380154.db2.gz LPOMALKGLJTZCN-HNNXBMFYSA-N 1 0 297.406 2.558 40 0 CFABRO c1cncc(C[N@@H+]2CCC[C@H](c3ccncc3)C2)c1 ZINC000072367962 176382394 /nfs/dbraw/zinc/38/23/94/176382394.db2.gz UJISCIFCYZQGBE-INIZCTEOSA-N 1 0 253.349 2.856 40 0 CFABRO CC(C)[N@@H+]1CCCC[C@@H]1c1ccnc(Nc2cnccn2)n1 ZINC000072377462 176385916 /nfs/dbraw/zinc/38/59/16/176385916.db2.gz CFVSGNMERXGZGT-CQSZACIVSA-N 1 0 298.394 2.946 40 0 CFABRO c1ccc(C[C@H]2CCC[N@H+](Cc3ccccn3)C2)nc1 ZINC000072385080 176389133 /nfs/dbraw/zinc/38/91/33/176389133.db2.gz HFKUFNWLCYAPIN-OAHLLOKOSA-N 1 0 267.376 2.931 40 0 CFABRO Cc1cc(NC2CCCC2)nc(C2CC[NH2+]CC2)n1 ZINC000072386469 176391308 /nfs/dbraw/zinc/39/13/08/176391308.db2.gz ZNFCYKJFDBQUCY-UHFFFAOYSA-N 1 0 260.385 2.607 40 0 CFABRO Fc1cccc(CNc2cncc([C@@H]3CCC[NH2+]3)n2)c1 ZINC000072386764 176392140 /nfs/dbraw/zinc/39/21/40/176392140.db2.gz BHDLDFAGBSTZLU-ZDUSSCGKSA-N 1 0 272.327 2.652 40 0 CFABRO Cc1ccc(-c2ccc([C@@H]3C[NH2+]CCO3)nc2)cc1 ZINC000072386727 176392379 /nfs/dbraw/zinc/39/23/79/176392379.db2.gz YAKVTWXUGUCHNJ-INIZCTEOSA-N 1 0 254.333 2.718 40 0 CFABRO [NH3+]CCn1cc(-c2cccc(F)c2)c(C2CCOCC2)n1 ZINC000072391781 176393717 /nfs/dbraw/zinc/39/37/17/176393717.db2.gz DMAVZNDJAOUKDT-UHFFFAOYSA-N 1 0 289.354 2.542 40 0 CFABRO OCC[C@H]1CCCC[N@@H+]1Cc1c[nH]nc1-c1cccs1 ZINC000072397790 176395376 /nfs/dbraw/zinc/39/53/76/176395376.db2.gz CXKCWLGIGPEHBS-CYBMUJFWSA-N 1 0 291.420 2.875 40 0 CFABRO C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)N2N=CC[C@@H]2c2ccccc2)C1 ZINC000017024826 274398557 /nfs/dbraw/zinc/39/85/57/274398557.db2.gz ZUUATDISHOXEKE-HLLBOEOZSA-N 1 0 299.418 2.924 40 0 CFABRO Brc1ccc([C@H]2CSCC[NH2+]2)cc1 ZINC000019772787 275370084 /nfs/dbraw/zinc/37/00/84/275370084.db2.gz XVKSWTNCFWGQCJ-SNVBAGLBSA-N 1 0 258.184 2.827 40 0 CFABRO CC[NH+]1CCC2(CC1)CC(=O)c1cc(C)ccc1O2 ZINC000165212267 276152347 /nfs/dbraw/zinc/15/23/47/276152347.db2.gz VPDDTEURIROQFN-UHFFFAOYSA-N 1 0 259.349 2.815 40 0 CFABRO CC[C@](O)(C[NH+]1CCCCC1)[C@@H]1Cc2ccccc2O1 ZINC000001595107 276650382 /nfs/dbraw/zinc/65/03/82/276650382.db2.gz HMQBGFVTOYGQJN-IRXDYDNUSA-N 1 0 275.392 2.617 40 0 CFABRO CCn1c(N)[nH+]cc1-c1ccc(Br)cc1 ZINC000022130283 276710123 /nfs/dbraw/zinc/71/01/23/276710123.db2.gz GBRGDVMXEYIGNG-UHFFFAOYSA-N 1 0 266.142 2.915 40 0 CFABRO CC(C)(C)OC(=O)N1CCCC[C@@H]1C[NH2+]C1CC1 ZINC000072194528 277182980 /nfs/dbraw/zinc/18/29/80/277182980.db2.gz YVPTUGIYLZWTSZ-GFCCVEGCSA-N 1 0 254.374 2.528 40 0 CFABRO CC(C)(C)OC(=O)N1CCC(C[NH3+])(CC2CC2)CC1 ZINC000088241429 278381808 /nfs/dbraw/zinc/38/18/08/278381808.db2.gz YNXGZJPXRSVBMA-UHFFFAOYSA-N 1 0 268.401 2.763 40 0 CFABRO CC(C)[NH2+]C[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072194535 279608432 /nfs/dbraw/zinc/60/84/32/279608432.db2.gz NJWZLYJHEPVNKI-LBPRGKRZSA-N 1 0 256.390 2.774 40 0 CFABRO Cc1ccc2nc(-c3ccccc3)c(CC[NH3+])n2c1 ZINC000002526961 281149284 /nfs/dbraw/zinc/14/92/84/281149284.db2.gz OEARNSZQPKSOHM-UHFFFAOYSA-N 1 0 251.333 2.811 40 0 CFABRO C[C@@](C[NH3+])(c1ccccc1Cl)N1CCCCC1 ZINC000070453420 297837543 /nfs/dbraw/zinc/83/75/43/297837543.db2.gz JZMLCYJOSGXWFI-CQSZACIVSA-N 1 0 252.789 3.000 40 0 CFABRO Cc1ccc(C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)nc1 ZINC000257250261 327129357 /nfs/dbraw/zinc/12/93/57/327129357.db2.gz JLUJSJLOOPMYSQ-IRXDYDNUSA-N 1 0 274.408 2.873 40 0 CFABRO CCOc1ccccc1N1CC[NH2+][C@H]2CCCC[C@H]21 ZINC000218834207 333136813 /nfs/dbraw/zinc/13/68/13/333136813.db2.gz ZAYGWVLLACKDBC-UONOGXRCSA-N 1 0 260.381 2.806 40 0 CFABRO CCc1ccc(C[NH2+]CCNc2nc(C)cc(C)n2)cc1 ZINC000062717860 333176160 /nfs/dbraw/zinc/17/61/60/333176160.db2.gz MMPNWNJUFXSZNE-UHFFFAOYSA-N 1 0 284.407 2.858 40 0 CFABRO O=C(N[C@H]1CC[C@H]([NH2+]C2CC2)CC1)OCc1ccccc1 ZINC000242688036 527067013 /nfs/dbraw/zinc/06/70/13/527067013.db2.gz VDKAZZIEOSJCOC-WKILWMFISA-N 1 0 288.391 2.976 40 0 CFABRO CCO[C@@H]1COC2(C1)CC[NH+](Cc1ccc(C)o1)CC2 ZINC000096048103 185072359 /nfs/dbraw/zinc/07/23/59/185072359.db2.gz MLHHEWQTODOAIP-HNNXBMFYSA-N 1 0 279.380 2.748 40 0 CFABRO O=C1N(CC2CC2)CCC12CC[NH+](Cc1ccco1)CC2 ZINC000096046870 185073046 /nfs/dbraw/zinc/07/30/46/185073046.db2.gz XPGXOOWOUNSWCK-UHFFFAOYSA-N 1 0 288.391 2.504 40 0 CFABRO CCN1C(=O)CC[C@@]12CCC[N@H+](Cc1ccc(C)o1)CC2 ZINC000096047498 185073680 /nfs/dbraw/zinc/07/36/80/185073680.db2.gz MAXQWBYLKDUZNI-QGZVFWFLSA-N 1 0 290.407 2.955 40 0 CFABRO Cc1ccc(C[NH+]2C[C@@H]3CN(Cc4cccnc4)C[C@H]3C2)o1 ZINC000096053731 185074252 /nfs/dbraw/zinc/07/42/52/185074252.db2.gz ZIDDQGPVLYOTBE-IRXDYDNUSA-N 1 0 297.402 2.547 40 0 CFABRO C[N@@H+]1CCCCC12CCN(Cc1ccccn1)CC2 ZINC000096051199 185074848 /nfs/dbraw/zinc/07/48/48/185074848.db2.gz LYEOCDJMDJEREY-UHFFFAOYSA-N 1 0 259.397 2.532 40 0 CFABRO Fc1cccc(CN2C[C@@H]3C[N@@H+](CC4CC4)C[C@@H]3C2)c1 ZINC000096053900 185075406 /nfs/dbraw/zinc/07/54/06/185075406.db2.gz OHHSYLQWTGNDPL-IYBDPMFKSA-N 1 0 274.383 2.599 40 0 CFABRO CCOC[C@@H]1C[N@H+](CC2CC2)Cc2cn(CC3CC3)nc21 ZINC000096059976 185081842 /nfs/dbraw/zinc/08/18/42/185081842.db2.gz VDURKSXSACDKCP-INIZCTEOSA-N 1 0 289.423 2.639 40 0 CFABRO c1cncc(OCc2cncc3c2CC[N@H+](CC2CC2)C3)c1 ZINC000096067369 185085781 /nfs/dbraw/zinc/08/57/81/185085781.db2.gz GNGLGHQVFZYTKG-UHFFFAOYSA-N 1 0 295.386 2.824 40 0 CFABRO CCn1c(=O)ccc2c1CC[C@@H]([NH2+]Cc1ccsc1)C2 ZINC000096067594 185086042 /nfs/dbraw/zinc/08/60/42/185086042.db2.gz KORDTQLDBXGKRV-CQSZACIVSA-N 1 0 288.416 2.577 40 0 CFABRO CC(C)[C@@H]1CO[C@@]2(CC[N@H+](Cc3cccnc3)C2)C1 ZINC000096072029 185086416 /nfs/dbraw/zinc/08/64/16/185086416.db2.gz OKIOQHKJNOSDFC-HOTGVXAUSA-N 1 0 260.381 2.719 40 0 CFABRO C[N@@H+]1CCCC12CCN(Cc1ccccc1F)CC2 ZINC000096075197 185089678 /nfs/dbraw/zinc/08/96/78/185089678.db2.gz KSOLQYXGRLCFOA-UHFFFAOYSA-N 1 0 262.372 2.886 40 0 CFABRO O=C(OC[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccncc1 ZINC000005705281 346212377 /nfs/dbraw/zinc/21/23/77/346212377.db2.gz KFIZLPOAJRUESW-HUUCEWRRSA-N 1 0 274.364 2.503 40 0 CFABRO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)N2N=CC[C@H]2c2ccccc2)C1 ZINC000008559896 346224900 /nfs/dbraw/zinc/22/49/00/346224900.db2.gz ZUUATDISHOXEKE-INMHGKMJSA-N 1 0 299.418 2.924 40 0 CFABRO CC1CC(C[NH3+])([C@@H](O)c2ccccc2Br)C1 ZINC000085395715 179049275 /nfs/dbraw/zinc/04/92/75/179049275.db2.gz LJMXCBPPOABJMK-YHECAPGISA-N 1 0 284.197 2.858 40 0 CFABRO CC(C)Oc1ccc(Cl)cc1-c1noc(CC[NH3+])n1 ZINC000256050429 539540756 /nfs/dbraw/zinc/54/07/56/539540756.db2.gz DZSUFNDTQBWIAO-UHFFFAOYSA-N 1 0 281.743 2.678 40 0 CFABRO COC(=O)[C@@](C)(c1ccccc1)[N@@H+]1CCC[C@H](C)C1 ZINC000109051815 347744580 /nfs/dbraw/zinc/74/45/80/347744580.db2.gz HWRSLXQXYZTRKB-XJKSGUPXSA-N 1 0 261.365 2.807 40 0 CFABRO C[C@@H]1CC[NH2+]CC[C@@H]1CNC(=O)OCc1ccccc1 ZINC000110916037 347751183 /nfs/dbraw/zinc/75/11/83/347751183.db2.gz NMZLKIGYIWOAFQ-UKRRQHHQSA-N 1 0 276.380 2.549 40 0 CFABRO Brc1ccc([C@@H]2C[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000217808102 348165218 /nfs/dbraw/zinc/16/52/18/348165218.db2.gz IPELTGMLRHJEAJ-OCCSQVGLSA-N 1 0 296.208 2.885 40 0 CFABRO [NH3+]CC[C@H](Cc1nc2ccccc2[nH]1)C(F)(F)F ZINC000385328223 348533715 /nfs/dbraw/zinc/53/37/15/348533715.db2.gz OLRDQICFSDMLBJ-MRVPVSSYSA-N 1 0 257.259 2.633 40 0 CFABRO Brc1ccc([C@H]2C[NH2+]CC23CC3)cc1 ZINC000409433811 348601525 /nfs/dbraw/zinc/60/15/25/348601525.db2.gz UBJCNAYCBSHRKS-LLVKDONJSA-N 1 0 252.155 2.916 40 0 CFABRO c1ccc([C@H](C2CCSCC2)N2CC[NH2+]CC2)cc1 ZINC000409442087 348602266 /nfs/dbraw/zinc/60/22/66/348602266.db2.gz STKXJQRINDDBFA-MRXNPFEDSA-N 1 0 276.449 2.776 40 0 CFABRO Cc1cc(OC[C@@]2(O)CCC[NH2+]CC2)cc(C)c1Cl ZINC000399675519 348569998 /nfs/dbraw/zinc/56/99/98/348569998.db2.gz PQJWCOSKNDAIGB-OAHLLOKOSA-N 1 0 283.799 2.840 40 0 CFABRO C[NH+](C)[C@H]1CCC[C@@H](Oc2cccc(Cl)c2)[C@@H]1O ZINC000585289927 348738903 /nfs/dbraw/zinc/73/89/03/348738903.db2.gz XWCBATQSJGIODO-BFHYXJOUSA-N 1 0 269.772 2.562 40 0 CFABRO O=C1[C@@H]2C[N@H+](Cc3ccsc3)C[C@@H]2CN1c1ccccc1 ZINC000107742857 186189047 /nfs/dbraw/zinc/18/90/47/186189047.db2.gz GBXOLJUGJKBEIV-GDBMZVCRSA-N 1 0 298.411 2.843 40 0 CFABRO c1ccc(Nc2ccc3nc(C4CC[NH2+]CC4)nn3c2)cc1 ZINC000107488146 186175881 /nfs/dbraw/zinc/17/58/81/186175881.db2.gz VVEGKGPAUOZUGD-UHFFFAOYSA-N 1 0 293.374 2.940 40 0 CFABRO O=C1NCC[C@@]12CCC[N@@H+](Cc1ccc(Cl)cc1)CC2 ZINC000108535259 186222432 /nfs/dbraw/zinc/22/24/32/186222432.db2.gz STDMBEIVWXSYQL-MRXNPFEDSA-N 1 0 292.810 2.832 40 0 CFABRO CNC(=O)[C@H]1CCC[C@@]12CC[N@H+](Cc1ccccc1F)C2 ZINC000108535634 186222687 /nfs/dbraw/zinc/22/26/87/186222687.db2.gz CRHJRCCHXPVQGF-PBHICJAKSA-N 1 0 290.382 2.564 40 0 CFABRO C[N@@H+]1CCCC[C@H](CNC(=O)NC[C@H]2CCC[C@@H](F)C2)C1 ZINC000685939058 539988203 /nfs/dbraw/zinc/98/82/03/539988203.db2.gz BXMBZPLOZWNGCA-RRFJBIMHSA-N 1 0 299.434 2.546 40 0 CFABRO c1coc(CNc2cc(C3CC3)[nH+]c(NC3CCCC3)n2)c1 ZINC000328982858 202140809 /nfs/dbraw/zinc/14/08/09/202140809.db2.gz HDEGWVFKYSKBAL-UHFFFAOYSA-N 1 0 298.390 2.757 40 0 CFABRO CC(C)Nc1nc(NCCc2ccccc2)cc(C2CC2)[nH+]1 ZINC000329023590 202157133 /nfs/dbraw/zinc/15/71/33/202157133.db2.gz OVHZHJXWFBLQDE-UHFFFAOYSA-N 1 0 296.418 2.673 40 0 CFABRO Fc1cccc(CNc2cc(C3CC3)[nH+]c(NC3CC3)n2)c1 ZINC000329033316 202162748 /nfs/dbraw/zinc/16/27/48/202162748.db2.gz QTOWJEBJRXIHAX-UHFFFAOYSA-N 1 0 298.365 2.523 40 0 CFABRO Nc1cc(N)[nH+]c(SCc2ccc(Cl)cc2)n1 ZINC000000422475 371611713 /nfs/dbraw/zinc/61/17/13/371611713.db2.gz ZNAXZJJCUSOCGP-UHFFFAOYSA-N 1 0 266.757 2.587 40 0 CFABRO C[C@H](C[NH2+]C1CCCCC1)OC(=O)c1ccc(N)cc1 ZINC000001995925 371711320 /nfs/dbraw/zinc/71/13/20/371711320.db2.gz JSBRVIVCSYLQNY-GFCCVEGCSA-N 1 0 276.380 2.736 40 0 CFABRO CSCC[C@@H]([NH3+])C(=O)Nc1ccc2ccccc2c1 ZINC000002169532 371718645 /nfs/dbraw/zinc/71/86/45/371718645.db2.gz CHWHUPKCZKLQIM-CQSZACIVSA-N 1 0 274.389 2.859 40 0 in-vitro CFABRO C[NH2+][C@@H](Cc1ccccc1)c1ccc(O)c(OC)c1 ZINC000001667183 371693251 /nfs/dbraw/zinc/69/32/51/371693251.db2.gz HGYZNHBEEFWGHX-AWEZNQCLSA-N 1 0 257.333 2.904 40 0 CFABRO C[NH2+][C@H](Cc1ccccc1)c1ccc2c(c1)OCO2 ZINC000001667176 371693577 /nfs/dbraw/zinc/69/35/77/371693577.db2.gz LQAMXVPCEQEUGG-CQSZACIVSA-N 1 0 255.317 2.919 40 0 CFABRO O[C@@H](C[NH2+][C@@H]1CCc2ccccc21)COc1ccccc1 ZINC000001718125 371702005 /nfs/dbraw/zinc/70/20/05/371702005.db2.gz MXUUOMBREIUEQT-MAUKXSAKSA-N 1 0 283.371 2.703 40 0 CFABRO C[C@H]1CCC[C@H](C)[NH+]1C[C@H](O)COCc1ccccc1 ZINC000004031274 371829626 /nfs/dbraw/zinc/82/96/26/371829626.db2.gz NQORPPOOEJKAEV-ZOBUZTSGSA-N 1 0 277.408 2.827 40 0 CFABRO Cc1ccc(C)c(C[n+]2ccccc2C2(C)OCCO2)c1 ZINC000004530437 371862730 /nfs/dbraw/zinc/86/27/30/371862730.db2.gz NVGRYHKSVNBCHY-UHFFFAOYSA-N 1 0 284.379 2.859 40 0 CFABRO Cc1ccc([C@@]23CCC(=O)N2[C@H]2CCCC[C@@H]2[NH2+]3)cc1 ZINC000009937058 371902664 /nfs/dbraw/zinc/90/26/64/371902664.db2.gz SFCHCDFQYXPQPH-YQQAZPJKSA-N 1 0 270.376 2.685 40 0 CFABRO O=C(c1ccc(Br)cc1)[C@H]1CCC[NH2+]C1 ZINC000011630740 371923310 /nfs/dbraw/zinc/92/33/10/371923310.db2.gz YNYIOASGWYJBKT-JTQLQIEISA-N 1 0 268.154 2.631 40 0 CFABRO c1ccc(C[NH+]2CCC(c3ccncc3)CC2)nc1 ZINC000012117349 371945320 /nfs/dbraw/zinc/94/53/20/371945320.db2.gz HZCBDOOHVFOWDI-UHFFFAOYSA-N 1 0 253.349 2.856 40 0 CFABRO O=C(NCC[NH+]1CCCCCC1)C1CCCCC1 ZINC000013716961 372043465 /nfs/dbraw/zinc/04/34/65/372043465.db2.gz ZHQVXJMHFHCATA-UHFFFAOYSA-N 1 0 252.402 2.559 40 0 CFABRO Fc1ccccc1NC(=S)NCC[NH+]1CCCCC1 ZINC000016450440 372107548 /nfs/dbraw/zinc/10/75/48/372107548.db2.gz VXZQJZIZZSAQER-UHFFFAOYSA-N 1 0 281.400 2.598 40 0 CFABRO COC(=O)CC1CC[NH+](Cc2cccs2)CC1 ZINC000015423845 372083606 /nfs/dbraw/zinc/08/36/06/372083606.db2.gz FJDXCMKDEYFVGX-UHFFFAOYSA-N 1 0 253.367 2.523 40 0 CFABRO CC(C)(C)OC(=O)NCCC[C@H]([NH3+])c1ccccc1 ZINC000019259219 372151884 /nfs/dbraw/zinc/15/18/84/372151884.db2.gz IHZJZEXHKLIMKX-ZDUSSCGKSA-N 1 0 264.369 2.991 40 0 CFABRO OC1CC[NH+](Cc2c3cccnc3[nH]c2-c2ccco2)CC1 ZINC000019345213 372156499 /nfs/dbraw/zinc/15/64/99/372156499.db2.gz ODSGUWORUCWINP-UHFFFAOYSA-N 1 0 297.358 2.780 40 0 CFABRO CN(C)CC[NH2+][C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000019367680 372158736 /nfs/dbraw/zinc/15/87/36/372158736.db2.gz YKMZEBJFTJPMGZ-ZWKOTPCHSA-N 1 0 284.403 2.613 40 0 CFABRO COc1cc(C(N)=[NH2+])ccc1OCc1ccccc1 ZINC000019425216 372162916 /nfs/dbraw/zinc/16/29/16/372162916.db2.gz QPNONHGLGSIDRU-UHFFFAOYSA-N 1 0 256.305 2.558 40 0 CFABRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(F)cc1F ZINC000019575118 372176807 /nfs/dbraw/zinc/17/68/07/372176807.db2.gz GJTSGSCKRTWULI-RISCZKNCSA-N 1 0 266.335 2.633 40 0 CFABRO C[C@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2Cl)C1 ZINC000026919749 372330456 /nfs/dbraw/zinc/33/04/56/372330456.db2.gz PZHMKCPFKTYWHY-QWHCGFSZSA-N 1 0 283.799 2.812 40 0 CFABRO [NH3+]C[C@H](NC(=O)OCc1ccccc1)c1ccccc1 ZINC000026896653 372331664 /nfs/dbraw/zinc/33/16/64/372331664.db2.gz KJUKXDDEPPBPSY-HNNXBMFYSA-N 1 0 270.332 2.613 40 0 CFABRO O[C@@H](c1ccccc1)[C@H](Cc1ccccc1)[NH+]1CCOCC1 ZINC000031923842 372422056 /nfs/dbraw/zinc/42/20/56/372422056.db2.gz BWITYFGGGWKHRC-OALUTQOASA-N 1 0 297.398 2.664 40 0 CFABRO CC(C)[C@H]([NH3+])C(=O)N(C)Cc1cccc(Cl)c1Cl ZINC000037798514 372712826 /nfs/dbraw/zinc/71/28/26/372712826.db2.gz AQVFTIJLZKWDLQ-LBPRGKRZSA-N 1 0 289.206 2.935 40 0 CFABRO CC(C)(C)OC(=O)N[C@H]1CC[C@@H]([NH2+]CC2CC2)CC1 ZINC000238192445 189900592 /nfs/dbraw/zinc/90/05/92/189900592.db2.gz KYWLSQYEOGCGCX-JOCQHMNTSA-N 1 0 268.401 2.822 40 0 CFABRO COc1ccccc1C[NH2+]C[C@H](C)C(=O)OC(C)(C)C ZINC000047219116 373085193 /nfs/dbraw/zinc/08/51/93/373085193.db2.gz XDRIGUFYNGHEEQ-LBPRGKRZSA-N 1 0 279.380 2.763 40 0 CFABRO C[C@@H]1CCC[N@H+](CCCNC(=O)Cc2cccs2)C1 ZINC000046958823 373071824 /nfs/dbraw/zinc/07/18/24/373071824.db2.gz ZUAZZRGWSDQKDO-CYBMUJFWSA-N 1 0 280.437 2.529 40 0 CFABRO CC(C)(C)C[N@@H+]1CC[C@H](c2nnc(-c3cccnc3)o2)C1 ZINC000049169690 373272952 /nfs/dbraw/zinc/27/29/52/373272952.db2.gz FFTCAZJFIYXOHM-ZDUSSCGKSA-N 1 0 286.379 2.967 40 0 biogenic,in-vitro CFABRO Cc1nnc([C@H]2CC[N@H+](CCCc3ccccc3)C2)o1 ZINC000049169203 373273071 /nfs/dbraw/zinc/27/30/71/373273071.db2.gz TVQRMEZNHDAKDO-HNNXBMFYSA-N 1 0 271.364 2.800 40 0 biogenic,in-vitro CFABRO Cn1c2ccccc2nc1[C@H]1CC[N@@H+](C2CCOCC2)C1 ZINC000049171199 373275739 /nfs/dbraw/zinc/27/57/39/373275739.db2.gz GZNHRCCMKJKKOJ-ZDUSSCGKSA-N 1 0 285.391 2.542 40 0 biogenic,in-vitro CFABRO CC(C)(C)OC(=O)N[C@@H]1C[NH2+][C@@H](c2ccccc2)C1 ZINC000049581916 373312222 /nfs/dbraw/zinc/31/22/22/373312222.db2.gz NYHRWBNVAKQKGY-QWHCGFSZSA-N 1 0 262.353 2.614 40 0 CFABRO Clc1cccc(Cl)c1CNC[C@@H]1CCC[NH2+]1 ZINC000072203572 374235635 /nfs/dbraw/zinc/23/56/35/374235635.db2.gz YXDMSSDKENUFAP-VIFPVBQESA-N 1 0 259.180 2.835 40 0 CFABRO CN(C)c1nc(-c2ccc3c(c2)C[NH2+]CC3)cs1 ZINC000072226553 374235956 /nfs/dbraw/zinc/23/59/56/374235956.db2.gz PVBPKQNIHZJXQQ-UHFFFAOYSA-N 1 0 259.378 2.522 40 0 CFABRO CC(C)[N@@H+]1CCC[C@H]1c1ccnc(Nc2cncnc2)n1 ZINC000072377467 374246501 /nfs/dbraw/zinc/24/65/01/374246501.db2.gz KXORBZJHSKRQAL-AWEZNQCLSA-N 1 0 284.367 2.556 40 0 CFABRO C[N@@H+]1CCC[C@@H](C(=O)NCCCc2ccccc2Cl)C1 ZINC000073471498 374343888 /nfs/dbraw/zinc/34/38/88/374343888.db2.gz MDAGRMDIVIDFKX-CQSZACIVSA-N 1 0 294.826 2.731 40 0 CFABRO COc1ccc(NC(=O)C2CC[NH+](C)CC2)cc1Cl ZINC000074713357 374434923 /nfs/dbraw/zinc/43/49/23/374434923.db2.gz QNROJCIEOBEBQU-UHFFFAOYSA-N 1 0 282.771 2.629 40 0 CFABRO CC(C)[N@@H+](Cc1ccccc1)C[C@@H]1CCCN(CCO)C1 ZINC000079414303 374610491 /nfs/dbraw/zinc/61/04/91/374610491.db2.gz FIQOVIZBRXHEGB-GOSISDBHSA-N 1 0 290.451 2.601 40 0 CFABRO CC(C)[C@H]([NH3+])C(=O)N(C)Cc1cc(Cl)ccc1Cl ZINC000079420350 374610719 /nfs/dbraw/zinc/61/07/19/374610719.db2.gz OQJRXJGRFYHOOG-LBPRGKRZSA-N 1 0 289.206 2.935 40 0 CFABRO CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1[NH2+]C1CC1 ZINC000079437086 374611855 /nfs/dbraw/zinc/61/18/55/374611855.db2.gz IMSIMDSWINKNOO-NEPJUHHUSA-N 1 0 254.374 2.574 40 0 CFABRO CC(C)(C)OC(=O)N(C[C@@H]1CCCC[NH2+]1)C1CC1 ZINC000079437700 374611980 /nfs/dbraw/zinc/61/19/80/374611980.db2.gz VZWZMTQGRGMWAN-NSHDSACASA-N 1 0 254.374 2.528 40 0 CFABRO [NH3+]CCc1nc(-c2c(Cl)cccc2Cl)no1 ZINC000089262335 374892386 /nfs/dbraw/zinc/89/23/86/374892386.db2.gz RUXTZGSYKUZPEP-UHFFFAOYSA-N 1 0 258.108 2.545 40 0 CFABRO O=C1CC[C@H]2[C@H](CC[N@@H+]2Cc2ccccc2)N1CC1CC1 ZINC000096186271 375474565 /nfs/dbraw/zinc/47/45/65/375474565.db2.gz DNHYFMDLAUMMNB-IRXDYDNUSA-N 1 0 284.403 2.662 40 0 CFABRO Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3Cc2ccccn2)o1 ZINC000096184669 375474711 /nfs/dbraw/zinc/47/47/11/375474711.db2.gz YKHLFDRCMBYROZ-MSOLQXFVSA-N 1 0 297.402 2.832 40 0 CFABRO O=C1CC[C@H]2[C@H](CC[N@@H+]2CCc2ccccc2)N1CC1CC1 ZINC000096186291 375475195 /nfs/dbraw/zinc/47/51/95/375475195.db2.gz HYOBAEOGGCCTHV-ROUUACIJSA-N 1 0 298.430 2.704 40 0 CFABRO c1cc(CN2CC3(C2)CC[N@H+](Cc2cccnc2)C3)cs1 ZINC000096202505 375476733 /nfs/dbraw/zinc/47/67/33/375476733.db2.gz GYHDCBUNBJKROD-UHFFFAOYSA-N 1 0 299.443 2.851 40 0 CFABRO c1ccc(N[C@H]2CCO[C@]3(CC[N@@H+](CC4CC4)C3)C2)nc1 ZINC000096207236 375477343 /nfs/dbraw/zinc/47/73/43/375477343.db2.gz HBISVXAWTFDWKW-DOTOQJQBSA-N 1 0 287.407 2.527 40 0 CFABRO c1cc(C[N@@H+]2CCC3(CN(c4ccccn4)C3)C2)cs1 ZINC000096202748 375477856 /nfs/dbraw/zinc/47/78/56/375477856.db2.gz ZJTLSQKEDBXFLV-UHFFFAOYSA-N 1 0 285.416 2.855 40 0 CFABRO CC[NH+]1CCC2(CCC(=O)N2Cc2cccc(C)c2)CC1 ZINC000096228251 375480383 /nfs/dbraw/zinc/48/03/83/375480383.db2.gz BCGWDBKBPWMGGN-UHFFFAOYSA-N 1 0 286.419 2.972 40 0 CFABRO CCCn1cc(C[NH2+]Cc2cccc(OC)c2)c(C)n1 ZINC000256051427 190003703 /nfs/dbraw/zinc/00/37/03/190003703.db2.gz JCXRMDAEUOLXBK-UHFFFAOYSA-N 1 0 273.380 2.900 40 0 CFABRO CCCn1cc(C[NH2+]Cc2ccc(OCC)cc2)cn1 ZINC000256052887 190004265 /nfs/dbraw/zinc/00/42/65/190004265.db2.gz PAULDLMINDXKFB-UHFFFAOYSA-N 1 0 273.380 2.982 40 0 CFABRO Cc1ccc(C[N@@H+]2CC[C@H](c3nc(C)cc(C)n3)C2)cn1 ZINC000257202392 190010463 /nfs/dbraw/zinc/01/04/63/190010463.db2.gz ALPAWPJXUMZXBG-INIZCTEOSA-N 1 0 282.391 2.786 40 0 CFABRO Cc1n[nH]cc1-c1nccnc1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000257209943 190012026 /nfs/dbraw/zinc/01/20/26/190012026.db2.gz BSMWJZJQMGICDD-AWEZNQCLSA-N 1 0 299.422 2.838 40 0 CFABRO CCCn1cc(C[N@@H+]2CCC[C@H](c3ccnc(C)n3)C2)cn1 ZINC000257232765 190016780 /nfs/dbraw/zinc/01/67/80/190016780.db2.gz GMICZUMVTBAYPJ-INIZCTEOSA-N 1 0 299.422 2.771 40 0 CFABRO c1ccc(Nc2cccc(C3CC[NH2+]CC3)n2)nc1 ZINC000257266024 190022880 /nfs/dbraw/zinc/02/28/80/190022880.db2.gz MBHCLGQSSYTMKG-UHFFFAOYSA-N 1 0 254.337 2.687 40 0 CFABRO Cc1cc(C)nc([C@@H]2CC[N@H+](Cc3ncccc3C)C2)n1 ZINC000257254250 190021028 /nfs/dbraw/zinc/02/10/28/190021028.db2.gz KCIBXFXBRYFYBJ-OAHLLOKOSA-N 1 0 282.391 2.786 40 0 CFABRO Cc1cccc(C[C@H]2CCC[N@H+](Cc3cncnc3)C2)n1 ZINC000257262589 190022038 /nfs/dbraw/zinc/02/20/38/190022038.db2.gz LMACROFDHJAITL-OAHLLOKOSA-N 1 0 282.391 2.635 40 0 CFABRO c1ccc(Nc2cccc(C[C@H]3CCC[NH2+]C3)n2)nc1 ZINC000257285159 190027175 /nfs/dbraw/zinc/02/71/75/190027175.db2.gz PFXAYQPDSROBKV-CYBMUJFWSA-N 1 0 268.364 2.762 40 0 CFABRO Cc1ccc(C[C@H]2CCC[N@H+](Cc3cnccn3)C2)cn1 ZINC000257273895 190024707 /nfs/dbraw/zinc/02/47/07/190024707.db2.gz NIQMGHBSFNOQFT-MRXNPFEDSA-N 1 0 282.391 2.635 40 0 CFABRO CNc1ncccc1C[N@@H+]1CCC[C@H](Cc2ccccn2)C1 ZINC000257276340 190025093 /nfs/dbraw/zinc/02/50/93/190025093.db2.gz NTGVEYXMADBDPA-OAHLLOKOSA-N 1 0 296.418 2.973 40 0 CFABRO Cc1ccc(C[C@H]2CCC[N@@H+](C3CCOCC3)C2)cn1 ZINC000257290227 190028076 /nfs/dbraw/zinc/02/80/76/190028076.db2.gz QCCDCFRTTQYIDM-MRXNPFEDSA-N 1 0 274.408 2.824 40 0 CFABRO c1ccc(O[C@@H]2C[C@H]3C[N@H+](C4CCOCC4)C[C@H]3C2)cc1 ZINC000257292463 190028095 /nfs/dbraw/zinc/02/80/95/190028095.db2.gz QLOHBIBESILISL-HWWDLCQESA-N 1 0 287.403 2.955 40 0 CFABRO CCCn1cc(-c2cncc(CC3CC[NH+](C)CC3)n2)cn1 ZINC000257293462 190028249 /nfs/dbraw/zinc/02/82/49/190028249.db2.gz QPNAUDRZKXXKKL-UHFFFAOYSA-N 1 0 299.422 2.634 40 0 CFABRO Cc1cccnc1C[N@H+]1CCN(C)[C@@H](c2ccccc2)C1 ZINC000257300805 190029228 /nfs/dbraw/zinc/02/92/28/190029228.db2.gz RVSWXXOCZFCNOX-GOSISDBHSA-N 1 0 281.403 2.879 40 0 CFABRO Cc1cnc([C@@H]2CCC[N@H+](Cc3cnccn3)C2)s1 ZINC000257300747 190029607 /nfs/dbraw/zinc/02/96/07/190029607.db2.gz RVNRJUKPVAENEM-GFCCVEGCSA-N 1 0 274.393 2.621 40 0 CFABRO CN(C)C(=O)c1ncccc1-c1cccc(C[NH+](C)C)c1 ZINC000257297021 190029654 /nfs/dbraw/zinc/02/96/54/190029654.db2.gz RFKZCADGJDVRNS-UHFFFAOYSA-N 1 0 283.375 2.512 40 0 CFABRO Cc1nn(C)c(C)c1C[N@@H+]1CCN(C)[C@H](c2ccccc2)C1 ZINC000257297970 190029935 /nfs/dbraw/zinc/02/99/35/190029935.db2.gz RJOHCVKBIQDJTJ-SFHVURJKSA-N 1 0 298.434 2.526 40 0 CFABRO c1[nH]nc2nc([C@@H]3CCC[N@@H+](Cc4ccccn4)C3)ccc12 ZINC000257302154 190030242 /nfs/dbraw/zinc/03/02/42/190030242.db2.gz SBSQGFXSLMGQPF-CQSZACIVSA-N 1 0 293.374 2.733 40 0 CFABRO CC(C)[C@H]1COC(=O)N1c1cccc(C2CC[NH2+]CC2)n1 ZINC000257303085 190030326 /nfs/dbraw/zinc/03/03/26/190030326.db2.gz SFRORZJTRDGXMN-CQSZACIVSA-N 1 0 289.379 2.530 40 0 CFABRO Cc1ccnc([C@H]2CC[N@H+](CCc3ccccc3)C2)n1 ZINC000257316342 190032605 /nfs/dbraw/zinc/03/26/05/190032605.db2.gz VFDYRHKPDYQOEQ-INIZCTEOSA-N 1 0 267.376 2.817 40 0 CFABRO Cc1cncc(C[N@@H+]2CCC[C@H](c3ccncn3)C2)c1 ZINC000257316412 190032741 /nfs/dbraw/zinc/03/27/41/190032741.db2.gz VFMJWJWPLDBGOD-HNNXBMFYSA-N 1 0 268.364 2.560 40 0 CFABRO Cc1cncc(C[N@@H+]2CCC[C@@H](c3ccncn3)C2)c1 ZINC000257316413 190033025 /nfs/dbraw/zinc/03/30/25/190033025.db2.gz VFMJWJWPLDBGOD-OAHLLOKOSA-N 1 0 268.364 2.560 40 0 CFABRO CCCn1nccc1-c1cc(C[C@H]2CC[N@H+](C)C2)ccn1 ZINC000257328880 190035038 /nfs/dbraw/zinc/03/50/38/190035038.db2.gz XHLLKEZRIVYSJO-OAHLLOKOSA-N 1 0 284.407 2.849 40 0 CFABRO CC[NH+](CC)C[C@H](O)COC12CC3CC(CC(C3)C1)C2 ZINC000027533964 284727089 /nfs/dbraw/zinc/72/70/89/284727089.db2.gz MGOBWAIGRFGEQE-KLZNEWFBSA-N 1 0 281.440 2.675 40 0 CFABRO Cc1ccc(-c2ccc3nnc([C@H]4CCC[NH2+]C4)n3n2)cc1 ZINC000217560617 382786956 /nfs/dbraw/zinc/78/69/56/382786956.db2.gz XITALQMGHNLDMH-AWEZNQCLSA-N 1 0 293.374 2.567 40 0 CFABRO Cc1ccc(-c2ccc3nnc([C@@H]4CCC[NH2+]4)n3n2)cc1C ZINC000217555817 382787025 /nfs/dbraw/zinc/78/70/25/382787025.db2.gz RHNLDBZEGDRHHM-HNNXBMFYSA-N 1 0 293.374 2.833 40 0 CFABRO Cc1ccc(-c2ccc3nnc([C@@H]([NH3+])C(C)C)n3n2)cc1 ZINC000217564502 382787057 /nfs/dbraw/zinc/78/70/57/382787057.db2.gz YHOZYWWCQNNIOA-HNNXBMFYSA-N 1 0 281.363 2.756 40 0 CFABRO CCC[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C[NH2+]1 ZINC000217782018 382787833 /nfs/dbraw/zinc/78/78/33/382787833.db2.gz HWUVXOQVFBHOEH-NWDGAFQWSA-N 1 0 256.390 2.679 40 0 CFABRO CCOc1cc(C=O)ccc1OCCCC[NH+](C)C ZINC000217798363 382788064 /nfs/dbraw/zinc/78/80/64/382788064.db2.gz GVMDJMLSJCZLPP-UHFFFAOYSA-N 1 0 265.353 2.618 40 0 CFABRO [NH3+][C@@H]1CCC[C@H]1Nc1ccc(Br)cc1 ZINC000218681558 382790589 /nfs/dbraw/zinc/79/05/89/382790589.db2.gz DWASZSUOYFWDHH-GHMZBOCLSA-N 1 0 255.159 2.741 40 0 CFABRO COc1ccc([C@H]2CC(N)=[NH+]N2c2ccc(OC)cc2)cc1 ZINC000222548017 382802419 /nfs/dbraw/zinc/80/24/19/382802419.db2.gz CGAXXLFDUUJXQR-MRXNPFEDSA-N 1 0 297.358 2.927 40 0 CFABRO COCC[NH2+]Cc1cccn1[C@@H](C)c1ccccc1 ZINC000223691469 382806323 /nfs/dbraw/zinc/80/63/23/382806323.db2.gz JOXYBHKOQWEQGD-AWEZNQCLSA-N 1 0 258.365 2.833 40 0 CFABRO COCC[NH2+]Cc1cccn1-c1cccc(Cl)c1 ZINC000223685064 382806398 /nfs/dbraw/zinc/80/63/98/382806398.db2.gz RESMTPBZBAWALO-UHFFFAOYSA-N 1 0 264.756 2.867 40 0 CFABRO COCC[NH2+]Cc1ccn([C@H](C)c2ccccc2)c1 ZINC000223695003 382806526 /nfs/dbraw/zinc/80/65/26/382806526.db2.gz UENRWNZJKNYJKX-CQSZACIVSA-N 1 0 258.365 2.833 40 0 CFABRO C[NH+](C)CCNC(=O)CCc1c(Cl)cccc1Cl ZINC000225353462 382814482 /nfs/dbraw/zinc/81/44/82/382814482.db2.gz RVVOCKKKVWHEGE-UHFFFAOYSA-N 1 0 289.206 2.604 40 0 CFABRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@]1(CO)C(F)(F)F ZINC000253380275 383453704 /nfs/dbraw/zinc/45/37/04/383453704.db2.gz YRQQNNUMEBZONG-DGCLKSJQSA-N 1 0 273.298 2.679 40 0 CFABRO CC1(C)Oc2ccccc2[C@H]2O[C@H]3CC[NH2+][C@@H]3C[C@@H]21 ZINC000257218162 383493225 /nfs/dbraw/zinc/49/32/25/383493225.db2.gz DCBPKVFTABFGTB-MYZSUADSSA-N 1 0 259.349 2.666 40 0 CFABRO Cc1nc([C@H]2CCC[N@@H+](C)C2)cc(C(F)(F)F)n1 ZINC000257212613 383493505 /nfs/dbraw/zinc/49/35/05/383493505.db2.gz CEFKLXVTBNRLJY-VIFPVBQESA-N 1 0 259.275 2.613 40 0 CFABRO OC1CC[NH+](Cc2c3cccnc3[nH]c2C(F)(F)F)CC1 ZINC000019345113 285245992 /nfs/dbraw/zinc/24/59/92/285245992.db2.gz WZWBUYXIMINLTL-UHFFFAOYSA-N 1 0 299.296 2.538 40 0 CFABRO Cc1ccc(C)c([C@@H](C)NC(=O)[C@H]2CCC[N@H+](C)C2)c1 ZINC000081230099 177782156 /nfs/dbraw/zinc/78/21/56/177782156.db2.gz GUYHWWFUCVDRIW-CABCVRRESA-N 1 0 274.408 2.822 40 0 CFABRO CCNc1ncc(C[NH2+]C2C3CC4CC(C3)CC2C4)cn1 ZINC000062717515 256722202 /nfs/dbraw/zinc/72/22/02/256722202.db2.gz HYNJIOPBPAHUBY-UHFFFAOYSA-N 1 0 286.423 2.823 40 0 CFABRO CC(=O)O[C@@H]1[C@@H]2CCC[C@H]1CC[C@@H]2[NH+]1CCCC1 ZINC000001177499 169691153 /nfs/dbraw/zinc/69/11/53/169691153.db2.gz LCESFZPIVFLOLG-XGUBFFRZSA-N 1 0 251.370 2.593 40 0 CFABRO c1ccc2c(c1)CCN[C@H]2[C@@H]1[NH2+]CCc2ccccc21 ZINC000022595046 285503923 /nfs/dbraw/zinc/50/39/23/285503923.db2.gz NDHNLLQPMVDMRO-QZTJIDSGSA-N 1 0 264.372 2.760 40 0 CFABRO CCC[C@@H]([NH2+]Cc1cnc(N)nc1)c1ccccc1 ZINC000062717395 393627548 /nfs/dbraw/zinc/62/75/48/393627548.db2.gz KRDFBXROQNLRHK-CQSZACIVSA-N 1 0 256.353 2.690 40 0 CFABRO CCN(C)c1ncc([C@H]([NH3+])c2ccccc2)cc1C ZINC000072222208 393646603 /nfs/dbraw/zinc/64/66/03/393646603.db2.gz RHLUQTBIGPUKAT-OAHLLOKOSA-N 1 0 255.365 2.894 40 0 CFABRO CC[C@@H]([C@H]([NH3+])c1ccc(Cl)cc1)S(=O)(=O)CC ZINC000096524943 393837886 /nfs/dbraw/zinc/83/78/86/393837886.db2.gz OORNHKPDVJWOLI-NWDGAFQWSA-N 1 0 275.801 2.553 40 0 CFABRO CC(C)(C)OC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000095097517 393811635 /nfs/dbraw/zinc/81/16/35/393811635.db2.gz BPPZHXPUFQYRNQ-OLZOCXBDSA-N 1 0 268.401 2.776 40 0 CFABRO [NH3+][C@H]1COc2cc(OCc3ccccc3)ccc2C1 ZINC000095756563 393813257 /nfs/dbraw/zinc/81/32/57/393813257.db2.gz GPQRGIQSIPMIRX-CQSZACIVSA-N 1 0 255.317 2.528 40 0 CFABRO Cc1ccc(C(C)C)c(Oc2cnc(N)nc2N)c1 ZINC000098052584 393842210 /nfs/dbraw/zinc/84/22/10/393842210.db2.gz RAKSAPLZNJXYRB-UHFFFAOYSA-N 1 0 258.325 2.865 40 0 in-vitro CFABRO CN1C(=O)CC[C@@]12CCC[N@H+](Cc1cccc(F)c1)CC2 ZINC000585100222 395100316 /nfs/dbraw/zinc/10/03/16/395100316.db2.gz IBBJLTQOXFDWFS-QGZVFWFLSA-N 1 0 290.382 2.803 40 0 CFABRO C[NH2+]Cc1cc(Br)ccc1Oc1ncccn1 ZINC000575423929 397584271 /nfs/dbraw/zinc/58/42/71/397584271.db2.gz UJNSUTLBANSJFU-UHFFFAOYSA-N 1 0 294.152 2.751 40 0 CFABRO COc1cc2c(cc1OC)[C@@H](C1(O)CCCCC1)[NH2+]CC2 ZINC000001633473 286259892 /nfs/dbraw/zinc/25/98/92/286259892.db2.gz AUNGERODPATJIY-INIZCTEOSA-N 1 0 291.391 2.586 40 0 CFABRO CC[C@]1(C)OC(=O)N(C2CC(C)(C)[NH2+]C(C)(C)C2)[C@@]1(C)O ZINC000000036876 288473838 /nfs/dbraw/zinc/47/38/38/288473838.db2.gz MMHJMCRZTPXTHP-HOTGVXAUSA-N 1 0 298.427 2.625 40 0 CFABRO OC[C@H](Cc1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC000001698291 169744629 /nfs/dbraw/zinc/74/46/29/169744629.db2.gz BDPUIRDJZMADAC-AWEZNQCLSA-N 1 0 253.773 2.729 40 0 CFABRO OC[C@@H]1C[C@H](c2ccccn2)C[N@H+](Cc2ccccc2)C1 ZINC000004707532 170003104 /nfs/dbraw/zinc/00/31/04/170003104.db2.gz LDDTWGVJUHYAPN-SJORKVTESA-N 1 0 282.387 2.680 40 0 CFABRO [NH3+][C@@]1(c2ccccc2)CON=C(c2ccccc2)C1 ZINC000006579123 170215422 /nfs/dbraw/zinc/21/54/22/170215422.db2.gz VPZLBDBUTFWVGR-MRXNPFEDSA-N 1 0 252.317 2.665 40 0 CFABRO COC(=O)c1ccc(-c2ccc(C[NH2+]C3CC3)o2)cc1 ZINC000007539263 170290214 /nfs/dbraw/zinc/29/02/14/170290214.db2.gz SBYBTZMNXSZORF-UHFFFAOYSA-N 1 0 271.316 2.985 40 0 CFABRO O=C(/C=C/c1ccccc1)NCCC[NH+]1CCCCC1 ZINC000010276834 170402704 /nfs/dbraw/zinc/40/27/04/170402704.db2.gz HWLQYAUPDLCILZ-ZHACJKMWSA-N 1 0 272.392 2.692 40 0 CFABRO Cc1ccccc1OC[C@H](O)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000012080498 170468397 /nfs/dbraw/zinc/46/83/97/170468397.db2.gz SMBKZOQPNGCSEO-IIAWOOMASA-N 1 0 277.408 2.713 40 0 CFABRO O=C(C1CC1)N1CCCC[C@H]2[NH2+]CC[C@H](c3ccccc3)[C@H]21 ZINC000019373901 170778358 /nfs/dbraw/zinc/77/83/58/170778358.db2.gz NQSZGSBCCVAXEX-KZNAEPCWSA-N 1 0 298.430 2.923 40 0 CFABRO CC[NH+](CC)CCNCc1cc(Cl)ccc1OC ZINC000022076442 171352273 /nfs/dbraw/zinc/35/22/73/171352273.db2.gz AIFCWJRUFJPQFN-UHFFFAOYSA-N 1 0 270.804 2.780 40 0 CFABRO Cc1cc(C)c2cc(C[NH2+]CCO)c(Cl)nc2c1 ZINC000035291229 172105996 /nfs/dbraw/zinc/10/59/96/172105996.db2.gz GRNNQGSNXNTVKU-UHFFFAOYSA-N 1 0 264.756 2.587 40 0 CFABRO CC(C)[C@H]([NH3+])C(=O)N[C@H](C)c1cccc(Cl)c1 ZINC000038092779 174106859 /nfs/dbraw/zinc/10/68/59/174106859.db2.gz SFFJIQODSLIJNI-SKDRFNHKSA-N 1 0 254.761 2.501 40 0 CFABRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)C1CCC1 ZINC000038583206 174148360 /nfs/dbraw/zinc/14/83/60/174148360.db2.gz ARMZZEPJXZDKAV-UHFFFAOYSA-N 1 0 286.419 2.815 40 0 CFABRO CCN(CC)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000038860410 174158368 /nfs/dbraw/zinc/15/83/68/174158368.db2.gz PXWLPGDCHNEVJU-LBPRGKRZSA-N 1 0 271.202 2.791 40 0 CFABRO C[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC000044137712 175146038 /nfs/dbraw/zinc/14/60/38/175146038.db2.gz AZWYVTAQBOKVTA-UHFFFAOYSA-N 1 0 264.369 2.643 40 0 CFABRO [NH3+]CCc1ccc(C(F)(F)F)cc1Br ZINC000044250032 175156371 /nfs/dbraw/zinc/15/63/71/175156371.db2.gz XEKFNUUMSQNAMK-UHFFFAOYSA-N 1 0 268.076 2.969 40 0 CFABRO CCC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000052167169 175533330 /nfs/dbraw/zinc/53/33/30/175533330.db2.gz PDZXTBZHZXVMEL-UHFFFAOYSA-N 1 0 260.381 2.699 40 0 CFABRO CC[NH+](CC)[C@H]1C[C@@H](Cc2cc(CCO)on2)C1(C)C ZINC000067889695 175799814 /nfs/dbraw/zinc/79/98/14/175799814.db2.gz NMYYYCZCEQGQPB-DOMZBBRYSA-N 1 0 280.412 2.508 40 0 biogenic,in-vitro CFABRO COCc1cc(C[C@@H]2C[C@H]([NH2+]CC3CC3)C2(C)C)no1 ZINC000067890244 175800061 /nfs/dbraw/zinc/80/00/61/175800061.db2.gz ACAOMGYWNCLXMI-DOMZBBRYSA-N 1 0 278.396 2.778 40 0 biogenic,in-vitro CFABRO CC1(C)[NH2+]CCO[C@H]1c1ccc(Br)cc1 ZINC000071601303 176228210 /nfs/dbraw/zinc/22/82/10/176228210.db2.gz HCPKTHKFUIHTJT-NSHDSACASA-N 1 0 270.170 2.889 40 0 CFABRO C[C@H]1CN(C(=O)c2ccc(-c3ccccc3)cc2)CC[NH2+]1 ZINC000071978906 176307943 /nfs/dbraw/zinc/30/79/43/176307943.db2.gz PDYVDPPFFXBYAX-AWEZNQCLSA-N 1 0 280.371 2.788 40 0 CFABRO CC(C)[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000072194534 176337089 /nfs/dbraw/zinc/33/70/89/176337089.db2.gz CQFQMIIBFSWUDK-GFCCVEGCSA-N 1 0 256.390 2.632 40 0 CFABRO CC(C)COc1ccc(-c2cc(CC[NH3+])no2)cc1 ZINC000072220700 176342970 /nfs/dbraw/zinc/34/29/70/176342970.db2.gz NAPNAQYFRJUBHD-UHFFFAOYSA-N 1 0 260.337 2.878 40 0 CFABRO C[N@@H+]1CCC[C@@H]1c1ccc(-c2cccc(C(N)=O)c2)cn1 ZINC000072352976 176374351 /nfs/dbraw/zinc/37/43/51/176374351.db2.gz ZBKJARRUDTWKMB-MRXNPFEDSA-N 1 0 281.359 2.614 40 0 CFABRO Fc1ccccc1-c1nccnc1[C@H]1CCC[NH2+]C1 ZINC000072356377 176375699 /nfs/dbraw/zinc/37/56/99/176375699.db2.gz QIXLLKSSAVKBMW-NSHDSACASA-N 1 0 257.312 2.750 40 0 CFABRO OCC[NH+]1CCC(c2cccc(Cc3ccccc3)n2)CC1 ZINC000072357529 176376290 /nfs/dbraw/zinc/37/62/90/176376290.db2.gz DLBQDWBPKURZGD-UHFFFAOYSA-N 1 0 296.414 2.844 40 0 CFABRO COc1ccccc1-c1cncc([C@H]2CCC[N@H+](C)C2)n1 ZINC000072359272 176376696 /nfs/dbraw/zinc/37/66/96/176376696.db2.gz HFSDQNBLZIXDMW-ZDUSSCGKSA-N 1 0 283.375 2.961 40 0 CFABRO COc1cccc(-c2cncc(C3CC[NH+](C)CC3)n2)c1 ZINC000072359274 176376907 /nfs/dbraw/zinc/37/69/07/176376907.db2.gz ZQAQIVLFQYCAJU-UHFFFAOYSA-N 1 0 283.375 2.961 40 0 CFABRO c1cc(C2CC[NH+](CCc3ccccc3)CC2)n[nH]1 ZINC000072363739 176378438 /nfs/dbraw/zinc/37/84/38/176378438.db2.gz UITWNBWTQBLTLG-UHFFFAOYSA-N 1 0 255.365 2.832 40 0 CFABRO Cc1cccc([C@@H]2CCC[N@@H+](Cc3cnn(C)c3)C2)n1 ZINC000072364282 176378625 /nfs/dbraw/zinc/37/86/25/176378625.db2.gz LRFJBPVFYSGYLY-OAHLLOKOSA-N 1 0 270.380 2.503 40 0 CFABRO Cc1cccc([C@H]2CCC[N@@H+](Cc3cnn(C)c3)C2)n1 ZINC000072364283 176379144 /nfs/dbraw/zinc/37/91/44/176379144.db2.gz LRFJBPVFYSGYLY-HNNXBMFYSA-N 1 0 270.380 2.503 40 0 CFABRO COc1ccccc1-c1cc([C@@H]2CCC[NH2+]C2)nc(C)n1 ZINC000072365114 176380157 /nfs/dbraw/zinc/38/01/57/176380157.db2.gz YXARLVICGKQVSR-CYBMUJFWSA-N 1 0 283.375 2.928 40 0 CFABRO c1cc(C[N@@H+]2CCC[C@@H](c3cnccn3)C2)cs1 ZINC000072369369 176384363 /nfs/dbraw/zinc/38/43/63/176384363.db2.gz XESIHCYDBXUAQB-CYBMUJFWSA-N 1 0 259.378 2.918 40 0 CFABRO CCc1nccn1-c1cccc([C@@H]2CCC[N@H+](C)C2)n1 ZINC000072379099 176385957 /nfs/dbraw/zinc/38/59/57/176385957.db2.gz MBVWYFWVKYTOOA-CYBMUJFWSA-N 1 0 270.380 2.639 40 0 CFABRO CC(C)[N@@H+]1CCCC[C@H]1c1ccnc(Nc2cnccn2)n1 ZINC000072377463 176386209 /nfs/dbraw/zinc/38/62/09/176386209.db2.gz CFVSGNMERXGZGT-AWEZNQCLSA-N 1 0 298.394 2.946 40 0 CFABRO Cc1nc(Cc2ccc(F)cc2)cc([C@@H]2CC[NH2+]C2)n1 ZINC000072384573 176388921 /nfs/dbraw/zinc/38/89/21/176388921.db2.gz LGBISMVRFNDJKC-CYBMUJFWSA-N 1 0 271.339 2.592 40 0 CFABRO c1cncc(C[C@H]2CCC[N@H+](Cc3ccncc3)C2)c1 ZINC000072385026 176389138 /nfs/dbraw/zinc/38/91/38/176389138.db2.gz DXCRRMMNHZAMCW-QGZVFWFLSA-N 1 0 267.376 2.931 40 0 CFABRO Fc1ccc(CC[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)cc1 ZINC000072385455 176390024 /nfs/dbraw/zinc/39/00/24/176390024.db2.gz KGZGXXNKNFUGIS-CQSZACIVSA-N 1 0 273.355 2.971 40 0 CFABRO Fc1cccc(C[N@@H+]2CCC[C@@H](c3cnccn3)C2)c1 ZINC000072385354 176390075 /nfs/dbraw/zinc/39/00/75/176390075.db2.gz RDZQHGQUPUKDDD-CQSZACIVSA-N 1 0 271.339 2.995 40 0 CFABRO Cc1c[nH]nc1[C@]1(C)CCC[N@H+](Cc2cccnc2)C1 ZINC000072388725 176393974 /nfs/dbraw/zinc/39/39/74/176393974.db2.gz ZHWULGCUEDKVID-MRXNPFEDSA-N 1 0 270.380 2.667 40 0 CFABRO c1cc([C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]2c2ccccc2)n[nH]1 ZINC000072395181 176394396 /nfs/dbraw/zinc/39/43/96/176394396.db2.gz VGZOQMJYIXXCQC-BHYGNILZSA-N 1 0 297.402 2.629 40 0 CFABRO CC(C)[C@H]([NH3+])C(=O)N(Cc1ccccc1Cl)C1CC1 ZINC000079420660 177487944 /nfs/dbraw/zinc/48/79/44/177487944.db2.gz ALSBPJFJVDFNLN-AWEZNQCLSA-N 1 0 280.799 2.814 40 0 CFABRO CC1CC[NH+](CCCNC(=O)/C=C/c2ccccc2)CC1 ZINC000013669735 260074966 /nfs/dbraw/zinc/07/49/66/260074966.db2.gz VUDPRBWHUNCIGN-CMDGGOBGSA-N 1 0 286.419 2.938 40 0 CFABRO CCO[C@H](C[NH2+]C)c1ccc(Br)cc1 ZINC000050481957 279901398 /nfs/dbraw/zinc/90/13/98/279901398.db2.gz MLUOAMRUXHHPLC-LLVKDONJSA-N 1 0 258.159 2.746 40 0 CFABRO CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000095097516 273499615 /nfs/dbraw/zinc/49/96/15/273499615.db2.gz BPPZHXPUFQYRNQ-CHWSQXEVSA-N 1 0 268.401 2.776 40 0 CFABRO CC1CC[NH+](CC(=O)N2CCCc3ccccc32)CC1 ZINC000042975666 273599069 /nfs/dbraw/zinc/59/90/69/273599069.db2.gz OEXRRRWYOBZNAK-UHFFFAOYSA-N 1 0 272.392 2.698 40 0 CFABRO c1cc(-c2cnc(C3CC3)nc2[C@H]2CCC[NH2+]C2)ccn1 ZINC000257243397 275063762 /nfs/dbraw/zinc/06/37/62/275063762.db2.gz IGUGBOFWSCTAGP-AWEZNQCLSA-N 1 0 280.375 2.883 40 0 CFABRO Brc1ccc2[nH]c(C3CC[NH2+]CC3)nc2c1 ZINC000027753031 275370181 /nfs/dbraw/zinc/37/01/81/275370181.db2.gz JGTQZDUEIGZJCX-UHFFFAOYSA-N 1 0 280.169 2.792 40 0 CFABRO Brc1cccc([C@@H]2CN(C3CC3)CC[NH2+]2)c1 ZINC000056894806 275373437 /nfs/dbraw/zinc/37/34/37/275373437.db2.gz FEJXCZBOTAVTHF-ZDUSSCGKSA-N 1 0 281.197 2.558 40 0 CFABRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C2CCCC2)C1 ZINC000043323707 275519045 /nfs/dbraw/zinc/51/90/45/275519045.db2.gz SLQZVJMDTYZQFT-CYBMUJFWSA-N 1 0 268.401 2.918 40 0 CFABRO CC[NH+]1CCC2(C=C(C(=O)N(C)C)c3ccccc32)CC1 ZINC000096079289 276152339 /nfs/dbraw/zinc/15/23/39/276152339.db2.gz FADPQOYOGXXUQF-UHFFFAOYSA-N 1 0 284.403 2.525 40 0 CFABRO CC[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccc(C)o1)C2 ZINC000096071603 276236112 /nfs/dbraw/zinc/23/61/12/276236112.db2.gz BDKZFRWVFFNODQ-INIZCTEOSA-N 1 0 262.397 2.896 40 0 CFABRO CC[NH2+]C[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000079437171 276266907 /nfs/dbraw/zinc/26/69/07/276266907.db2.gz YIGVBCYJJOKHCM-OAHLLOKOSA-N 1 0 276.380 2.787 40 0 CFABRO C[NH+](C)CC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H]2C=C[C@H]1C2 ZINC000019582161 276763870 /nfs/dbraw/zinc/76/38/70/276763870.db2.gz PHDFWBRCMSAZGI-FXUDXRNXSA-N 1 0 276.424 2.531 40 0 CFABRO C[NH+]1CCC2(CC1)CC(=O)c1cc3c(cc1O2)CCCC3 ZINC000225825567 277035600 /nfs/dbraw/zinc/03/56/00/277035600.db2.gz PGWDOGBNWYCUON-UHFFFAOYSA-N 1 0 285.387 2.995 40 0 CFABRO C[N@@H+]1CCC[C@@H]1c1ccnc(N2C(=O)OCC2(C)C)c1 ZINC000257203540 277066201 /nfs/dbraw/zinc/06/62/01/277066201.db2.gz AQNCAXRJOCLMPH-GFCCVEGCSA-N 1 0 275.352 2.584 40 0 CFABRO COC(=O)[C@@H]1CCC[N@H+](C)[C@H]1c1c[nH]c2ccccc21 ZINC000001708687 277085542 /nfs/dbraw/zinc/08/55/42/277085542.db2.gz BZTAQJYULZMZGD-IUODEOHRSA-N 1 0 272.348 2.724 40 0 CFABRO CC(C)(C)c1ccc([C@@H](O)C2(C[NH3+])CCOCC2)cc1 ZINC000085395730 277268502 /nfs/dbraw/zinc/26/85/02/277268502.db2.gz WVGQBPXVISMIRM-OAHLLOKOSA-N 1 0 277.408 2.773 40 0 CFABRO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@@H+](C(C)C)C[C@H]12 ZINC000107260343 278053315 /nfs/dbraw/zinc/05/33/15/278053315.db2.gz NPAMZSABRLNJPF-ZWKOTPCHSA-N 1 0 286.419 2.659 40 0 CFABRO [NH3+]CC1(c2ccccc2C(F)(F)F)CCOCC1 ZINC000083351204 279624212 /nfs/dbraw/zinc/62/42/12/279624212.db2.gz FPSNECCEVAYQAG-UHFFFAOYSA-N 1 0 259.271 2.712 40 0 CFABRO C[n+]1ccccc1/C=C/c1ccc(N2CCCC2)o1 ZINC000005002318 280180990 /nfs/dbraw/zinc/18/09/90/280180990.db2.gz NLWKMSHJCFEJNG-UHFFFAOYSA-N 1 0 255.341 2.875 40 0 CFABRO C[C@@H]1CN([C@@H](C[NH3+])c2c(F)cccc2Cl)C[C@H](C)O1 ZINC000022222622 297069125 /nfs/dbraw/zinc/06/91/25/297069125.db2.gz WWWMEEMLFPNBKO-CWSCBRNRSA-N 1 0 286.778 2.588 40 0 CFABRO COc1ccc([C@H]2[NH2+]CC[C@@]3(O)CCCC[C@H]23)cc1 ZINC000004837178 295251042 /nfs/dbraw/zinc/25/10/42/295251042.db2.gz PCTOTSPQXJTUKT-OAGGEKHMSA-N 1 0 261.365 2.651 40 0 CFABRO OCC[NH+]1C[C@@H]2[C@@H](C1)C1c3ccccc3C2c2ccccc21 ZINC000072373698 304825649 /nfs/dbraw/zinc/82/56/49/304825649.db2.gz KUVXZEZFMDEAMY-UVHRUJRTSA-N 1 0 291.394 2.818 40 0 CFABRO CC(C)(C)Cc1nnc(CC[NH+]2CCCCCC2)[nH]1 ZINC000062719498 518697338 /nfs/dbraw/zinc/69/73/38/518697338.db2.gz WFBQDRPWXJCXKL-UHFFFAOYSA-N 1 0 264.417 2.812 40 0 CFABRO CC(C)(C)OC(=O)NC1(c2ccccc2)CC[NH2+]CC1 ZINC000034022378 518821314 /nfs/dbraw/zinc/82/13/14/518821314.db2.gz ZPGFRFRXRVLSMF-UHFFFAOYSA-N 1 0 276.380 2.790 40 0 CFABRO CCOc1ccc(-c2nnc([C@H]([NH3+])C(C)C)[nH]2)cc1OC ZINC000095534812 185007848 /nfs/dbraw/zinc/00/78/48/185007848.db2.gz LIBRBZMGLQFMCP-CYBMUJFWSA-N 1 0 290.367 2.535 40 0 CFABRO CC[C@@H]1[N@H+](Cc2ccc(C)o2)CCC[C@]12CCC(=O)N2 ZINC000096038492 185069372 /nfs/dbraw/zinc/06/93/72/185069372.db2.gz ZSLHLGOIRXXZPC-HOCLYGCPSA-N 1 0 276.380 2.611 40 0 CFABRO c1nn(CC2CCCC2)c2c1C[NH2+]C[C@@H]2COCC1CC1 ZINC000096044749 185071609 /nfs/dbraw/zinc/07/16/09/185071609.db2.gz XFSJRDZNCGFOSA-MRXNPFEDSA-N 1 0 289.423 2.687 40 0 CFABRO CCN1CCOC[C@]2(CCC[N@H+](Cc3cccs3)C2)C1 ZINC000096049587 185072522 /nfs/dbraw/zinc/07/25/22/185072522.db2.gz WCKVCQFOWLASCT-MRXNPFEDSA-N 1 0 294.464 2.682 40 0 CFABRO O=C1[C@H]2C[N@H+](Cc3ccsc3)C[C@H]2CN1c1ccccc1 ZINC000096053576 185074606 /nfs/dbraw/zinc/07/46/06/185074606.db2.gz GBXOLJUGJKBEIV-HOCLYGCPSA-N 1 0 298.411 2.843 40 0 CFABRO CCOC[C@@H]1C[N@H+](CC2CC2)Cc2nn(CC3CC3)cc21 ZINC000096060490 185081116 /nfs/dbraw/zinc/08/11/16/185081116.db2.gz KWDGKBQFXQXLCL-HNNXBMFYSA-N 1 0 289.423 2.639 40 0 CFABRO CN1C(=O)C[C@H](c2ccccc2)C12CC[NH+](CC1CC1)CC2 ZINC000096061446 185082593 /nfs/dbraw/zinc/08/25/93/185082593.db2.gz RYLVRLNFKBCXRV-QGZVFWFLSA-N 1 0 298.430 2.877 40 0 CFABRO c1ccc(N[C@H]2COC3(C2)CC[NH+](CC2CC2)CC3)nc1 ZINC000096074254 185088013 /nfs/dbraw/zinc/08/80/13/185088013.db2.gz YTYVLAMSFQEHAA-OAHLLOKOSA-N 1 0 287.407 2.527 40 0 CFABRO CCN1C(=O)CCC[C@@]12CCC[N@H+](Cc1ccco1)C2 ZINC000096077051 185088948 /nfs/dbraw/zinc/08/89/48/185088948.db2.gz PLPNAXTTYDEWMT-INIZCTEOSA-N 1 0 276.380 2.647 40 0 CFABRO COC[C@@H]1COCCC12CC[NH+](Cc1ccc(C)o1)CC2 ZINC000096106257 185098922 /nfs/dbraw/zinc/09/89/22/185098922.db2.gz FTIPOCJYFJVOPF-OAHLLOKOSA-N 1 0 293.407 2.853 40 0 CFABRO OC[C@H]1CCCC[N@@H+]1Cc1ccc2cc(F)ccc2n1 ZINC000096836632 185116277 /nfs/dbraw/zinc/11/62/77/185116277.db2.gz CJAOTCVCYAFVRE-OAHLLOKOSA-N 1 0 274.339 2.721 40 0 CFABRO CC[N@H+](C)[C@H]1CN(C(=O)COC(C)C)C2(C1)CCCCC2 ZINC000019703971 346242466 /nfs/dbraw/zinc/24/24/66/346242466.db2.gz YEDJHZSIBOXECW-OAHLLOKOSA-N 1 0 296.455 2.667 40 0 CFABRO Nc1ccccc1OC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000039314953 346343277 /nfs/dbraw/zinc/34/32/77/346343277.db2.gz ARBZNWSAHIHYFO-UKRRQHHQSA-N 1 0 260.381 2.912 40 0 CFABRO COc1ccc(CC(=O)c2ccc(C[NH3+])cc2)cc1 ZINC000098180727 185699398 /nfs/dbraw/zinc/69/93/98/185699398.db2.gz JVLWBFIYUUJOCO-UHFFFAOYSA-N 1 0 255.317 2.579 40 0 CFABRO Cc1nc(CN2CC[C@@H]3[C@@H]2CC[N@H+]3CC(C)C)cs1 ZINC000096184269 347701297 /nfs/dbraw/zinc/70/12/97/347701297.db2.gz DCUUCSAEYIKSSC-CABCVRRESA-N 1 0 279.453 2.756 40 0 CFABRO C[N@H+]1[C@@H]2CC[C@H]1CC(Nc1cncc(Br)c1)C2 ZINC000096510506 347701908 /nfs/dbraw/zinc/70/19/08/347701908.db2.gz JEZKVLLJJVHTNK-VGPLMAKISA-N 1 0 296.212 2.881 40 0 CFABRO CC(C)[NH2+][C@H]1CCC[C@@H](Oc2cccc(Cl)c2)[C@@H]1O ZINC000164191484 348035834 /nfs/dbraw/zinc/03/58/34/348035834.db2.gz IMXZFLSHAJVOMF-RRFJBIMHSA-N 1 0 283.799 2.999 40 0 CFABRO CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(F)(F)F)C[C@H]([NH3+])C1 ZINC000225605854 348178520 /nfs/dbraw/zinc/17/85/20/348178520.db2.gz IGLQMKSPQXOIJS-HRDYMLBCSA-N 1 0 282.306 2.569 40 0 CFABRO C[C@@H]1CCC[C@@H]1OC[C@H](O)C[NH+]1[C@H](C)CCC[C@H]1C ZINC000245229233 348251629 /nfs/dbraw/zinc/25/16/29/348251629.db2.gz ROLPJNXSYMGNIP-QCODTGAPSA-N 1 0 269.429 2.815 40 0 CFABRO Cc1ccc(CN2CCC[C@H](C[NH3+])C2)c(Cl)c1 ZINC000235878585 348230194 /nfs/dbraw/zinc/23/01/94/348230194.db2.gz CUZXLGLJDCIRBF-GFCCVEGCSA-N 1 0 252.789 2.819 40 0 CFABRO Cn1c2ccccc2nc1C[C@H](CC[NH3+])C(F)(F)F ZINC000382141738 348528583 /nfs/dbraw/zinc/52/85/83/348528583.db2.gz CVLXMRYTWTYCCG-VIFPVBQESA-N 1 0 271.286 2.643 40 0 CFABRO c1ccc([C@@H](C2CCSCC2)N2CC[NH2+]CC2)cc1 ZINC000409442081 348602036 /nfs/dbraw/zinc/60/20/36/348602036.db2.gz STKXJQRINDDBFA-INIZCTEOSA-N 1 0 276.449 2.776 40 0 CFABRO Clc1cccc(O[C@H]2CO[C@]3(C2)CCC[NH2+]C3)c1 ZINC000585263147 348738606 /nfs/dbraw/zinc/73/86/06/348738606.db2.gz OPPILIFVRMNZBX-KGLIPLIRSA-N 1 0 267.756 2.630 40 0 CFABRO c1nc2ccccn2c1-c1cccc(C[C@H]2CCC[NH2+]C2)n1 ZINC000585263321 348738716 /nfs/dbraw/zinc/73/87/16/348738716.db2.gz VRVSXFNJQYLMFU-CQSZACIVSA-N 1 0 292.386 2.938 40 0 CFABRO CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CC[NH2+][C@@H]3C[C@H]21 ZINC000585262765 348738881 /nfs/dbraw/zinc/73/88/81/348738881.db2.gz DCBPKVFTABFGTB-GBOPCIDUSA-N 1 0 259.349 2.666 40 0 CFABRO Cc1ccc2c(c1)OC1(CC[NH2+]CC1)[C@@H]1CCCO[C@@H]21 ZINC000585263579 348738912 /nfs/dbraw/zinc/73/89/12/348738912.db2.gz SEXGLXVEEKBOFP-ZBFHGGJFSA-N 1 0 273.376 2.977 40 0 CFABRO Ic1ccc(C2=[NH+]CCC2)cc1 ZINC000038340567 283040571 /nfs/dbraw/zinc/04/05/71/283040571.db2.gz VJEVKULFTGWIDO-UHFFFAOYSA-N 1 0 271.101 2.874 40 0 CFABRO Cc1ccc(CNc2cc(C3CC3)[nH+]c(NC3CC3)n2)cc1 ZINC000329035479 202162734 /nfs/dbraw/zinc/16/27/34/202162734.db2.gz RFGQSNGIWDMPFO-UHFFFAOYSA-N 1 0 294.402 2.693 40 0 CFABRO NC(=[NH2+])c1ccc(C(F)(F)F)cc1Br ZINC000199752302 283262301 /nfs/dbraw/zinc/26/23/01/283262301.db2.gz ZYYWETARCYMBLB-UHFFFAOYSA-N 1 0 267.048 2.752 40 0 CFABRO O[C@H](COc1ccccc1Cl)C[NH+]1CCCCCC1 ZINC000002699704 169821320 /nfs/dbraw/zinc/82/13/20/169821320.db2.gz VHMQHCCWVGKUSF-ZDUSSCGKSA-N 1 0 283.799 2.956 40 0 CFABRO CC[NH+](CC)C[C@@H](O)COc1ccccc1C(C)C ZINC000001475852 371677254 /nfs/dbraw/zinc/67/72/54/371677254.db2.gz WSHIELPVLFWHFG-CQSZACIVSA-N 1 0 265.397 2.892 40 0 CFABRO CC1(C)CC(N2CCOCC2)=CC(NCc2ccccc2)=[NH+]1 ZINC000001581749 371682571 /nfs/dbraw/zinc/68/25/71/371682571.db2.gz ZPHDQGMXMLNXLA-UHFFFAOYSA-N 1 0 299.418 2.573 40 0 CFABRO C[NH+](C)CCCC(C(N)=O)(c1ccccc1)c1ccccc1 ZINC000001586354 371684896 /nfs/dbraw/zinc/68/48/96/371684896.db2.gz UQKUKPBIQMKTIS-UHFFFAOYSA-N 1 0 296.414 2.800 40 0 CFABRO C[C@H]1[C@H](C(=O)NCCc2ccccc2)C[C@H]2CCCC[N@@H+]21 ZINC000001607667 371686786 /nfs/dbraw/zinc/68/67/86/371686786.db2.gz DWHJHICDODTXMK-USXIJHARSA-N 1 0 286.419 2.608 40 0 CFABRO CCCCOc1ccc(C(=O)OCC[NH2+]C(C)C)cc1N ZINC000001656389 371692085 /nfs/dbraw/zinc/69/20/85/371692085.db2.gz VCNDBAMLBHXDCH-UHFFFAOYSA-N 1 0 294.395 2.603 40 0 CFABRO C[C@H](CO)[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000001667123 371694081 /nfs/dbraw/zinc/69/40/81/371694081.db2.gz GRCWULRRKAJPKL-PBHICJAKSA-N 1 0 255.361 2.941 40 0 CFABRO CC[C@@H](C)c1ccccc1OC[C@@H](O)C[NH2+]C(C)C ZINC000002694437 371746699 /nfs/dbraw/zinc/74/66/99/371746699.db2.gz JXVADECHNQDHFV-KGLIPLIRSA-N 1 0 265.397 2.938 40 0 CFABRO CC[C@@H](OC[C@@H](O)C[NH2+]C(C)(C)C)c1ccccc1 ZINC000002694596 371746803 /nfs/dbraw/zinc/74/68/03/371746803.db2.gz YPOIOMRSTNTUEO-LSDHHAIUSA-N 1 0 265.397 2.903 40 0 CFABRO CC[C@H](C)[NH2+]C[C@H](O)COc1ccccc1C(C)C ZINC000002694332 371746871 /nfs/dbraw/zinc/74/68/71/371746871.db2.gz UKVCHQPKNJYQJM-KBPBESRZSA-N 1 0 265.397 2.938 40 0 CFABRO c1c2ccccc2n(-c2ccccc2)c1C1=[NH+]CCN1 ZINC000003779228 371818468 /nfs/dbraw/zinc/81/84/68/371818468.db2.gz XUIUIZMIIPNHIJ-UHFFFAOYSA-N 1 0 261.328 2.980 40 0 CFABRO C[NH+]1CCN(c2ccccc2NC(=O)c2ccccc2)CC1 ZINC000006624695 371890274 /nfs/dbraw/zinc/89/02/74/371890274.db2.gz NSWNGBPYWHCZRR-UHFFFAOYSA-N 1 0 295.386 2.691 40 0 CFABRO Cc1ccc2cc(C[NH2+]C3CCCC3)c3nnnn3c2c1 ZINC000012644817 371979674 /nfs/dbraw/zinc/97/96/74/371979674.db2.gz CGOQCOKVDLCYHG-UHFFFAOYSA-N 1 0 281.363 2.618 40 0 CFABRO C[NH2+]CC(=O)Nc1ccccc1Sc1ccccc1 ZINC000016477851 372106763 /nfs/dbraw/zinc/10/67/63/372106763.db2.gz HREQVXSLMZCMNY-UHFFFAOYSA-N 1 0 272.373 2.996 40 0 CFABRO Cc1nn(C[NH+]2CCCCC2)c2nc3ccccc3nc12 ZINC000016266463 372103244 /nfs/dbraw/zinc/10/32/44/372103244.db2.gz DZIYLJCBFNKQGD-UHFFFAOYSA-N 1 0 281.363 2.731 40 0 CFABRO C[NH+](C)CCNC(=S)Nc1ccc(C(F)(F)F)cc1 ZINC000016237503 372103566 /nfs/dbraw/zinc/10/35/66/372103566.db2.gz NSPRNDMBFPHRQA-UHFFFAOYSA-N 1 0 291.342 2.553 40 0 CFABRO Cn1cncc1C[N@@H+]1CCC[C@H](c2cc3cccnc3[nH]2)C1 ZINC000019291834 372154133 /nfs/dbraw/zinc/15/41/33/372154133.db2.gz JJRFXNCHBIWKFJ-AWEZNQCLSA-N 1 0 295.390 2.676 40 0 CFABRO O[C@H]1CCC[N@H+](Cc2c3cccnc3[nH]c2-c2ccco2)C1 ZINC000019345217 372156153 /nfs/dbraw/zinc/15/61/53/372156153.db2.gz KREMQPAXYZWGNZ-LBPRGKRZSA-N 1 0 297.358 2.780 40 0 CFABRO Cc1ccc([C@H](C[NH3+])NC(=O)OC(C)(C)C)cc1 ZINC000019421198 372163348 /nfs/dbraw/zinc/16/33/48/372163348.db2.gz DOGRNNXCMUAJLF-LBPRGKRZSA-N 1 0 250.342 2.520 40 0 CFABRO CC1CC[NH+](Cc2ccnc(-c3cccnc3)n2)CC1 ZINC000019496925 372170676 /nfs/dbraw/zinc/17/06/76/372170676.db2.gz AJNGXTRFJZPTFX-UHFFFAOYSA-N 1 0 268.364 2.771 40 0 CFABRO Cc1nn(-c2ccccc2)c2[nH]c(=O)c(C[NH2+]C(C)C)cc12 ZINC000019565298 372173127 /nfs/dbraw/zinc/17/31/27/372173127.db2.gz SZDDFPCCLVOSJY-UHFFFAOYSA-N 1 0 296.374 2.520 40 0 CFABRO COc1cccc(CNC2=[NH+]CCOc3ccccc32)c1 ZINC000019565663 372174097 /nfs/dbraw/zinc/17/40/97/372174097.db2.gz GESNYYKUAOGYQQ-UHFFFAOYSA-N 1 0 282.343 2.624 40 0 CFABRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(F)c(F)c1 ZINC000019575088 372175469 /nfs/dbraw/zinc/17/54/69/372175469.db2.gz BKFFKTJHSZTRRI-DGCLKSJQSA-N 1 0 266.335 2.633 40 0 CFABRO Cc1[nH]c2cccc(C(=O)N[C@@H]3CCC[N@@H+](C)C3)c2c1C ZINC000019576793 372175579 /nfs/dbraw/zinc/17/55/79/372175579.db2.gz XYNIXGMAKLFSDQ-CYBMUJFWSA-N 1 0 285.391 2.609 40 0 CFABRO CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCC[NH+](C)C ZINC000020039297 372221633 /nfs/dbraw/zinc/22/16/33/372221633.db2.gz LGMCSTARBGOMRK-AWEZNQCLSA-N 1 0 298.814 2.565 40 0 CFABRO COc1cccc(-c2nc3sccn3c2C[NH3+])c1 ZINC000019767671 372183807 /nfs/dbraw/zinc/18/38/07/372183807.db2.gz FVSOABQLGOHVAE-UHFFFAOYSA-N 1 0 259.334 2.530 40 0 CFABRO CCCCC[C@H]1[C@H](CC(=O)OC)CC[C@@H]1[NH2+]CCN(C)C ZINC000019774448 372186695 /nfs/dbraw/zinc/18/66/95/372186695.db2.gz XFNDXCULCBDGRM-JYJNAYRXSA-N 1 0 298.471 2.676 40 0 CFABRO c1coc(CN2CC[NH+](C[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)c1 ZINC000019842518 372197557 /nfs/dbraw/zinc/19/75/57/372197557.db2.gz MPUJOCXZNNCUCE-OWCLPIDISA-N 1 0 272.392 2.609 40 0 CFABRO OC(c1ccccc1)(c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000026522518 372324741 /nfs/dbraw/zinc/32/47/41/372324741.db2.gz YLADTSCQUFGYMH-INIZCTEOSA-N 1 0 253.345 2.532 40 0 CFABRO Cc1ccc(OC[C@H](O)C[NH2+]C2CCCCC2)cc1C ZINC000032123177 372431622 /nfs/dbraw/zinc/43/16/22/372431622.db2.gz KBJONHXDXDGGRR-MRXNPFEDSA-N 1 0 277.408 2.965 40 0 CFABRO CC[C@@H]([NH3+])COCc1ccc(Br)cc1 ZINC000034505173 372510270 /nfs/dbraw/zinc/51/02/70/372510270.db2.gz SUMADWCLECRGSF-LLVKDONJSA-N 1 0 258.159 2.703 40 0 CFABRO [NH3+]Cc1cccc(OCC(=O)Nc2ccccc2Cl)c1 ZINC000036720746 372587021 /nfs/dbraw/zinc/58/70/21/372587021.db2.gz BZCPMNVVUBSZON-UHFFFAOYSA-N 1 0 290.750 2.816 40 0 CFABRO CC(C)[C@H]([NH3+])C(=O)N(C)Cc1ccc(Cl)cc1Cl ZINC000037804996 372717026 /nfs/dbraw/zinc/71/70/26/372717026.db2.gz FMDQGLHBADGFLM-LBPRGKRZSA-N 1 0 289.206 2.935 40 0 CFABRO CCCCCC(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000045288554 373017422 /nfs/dbraw/zinc/01/74/22/373017422.db2.gz JVSAHXLSILRACQ-UHFFFAOYSA-N 1 0 289.423 2.957 40 0 CFABRO CC(C)[N@@H+]1CC[C@H](c2nnc(Cc3ccccc3)o2)C1 ZINC000049169870 373273384 /nfs/dbraw/zinc/27/33/84/373273384.db2.gz IBVGSFOCMFNIEX-AWEZNQCLSA-N 1 0 271.364 2.858 40 0 biogenic,in-vitro CFABRO CCCNC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000052816763 373450169 /nfs/dbraw/zinc/45/01/69/373450169.db2.gz NPIHFTLPSNKURP-UHFFFAOYSA-N 1 0 289.423 2.882 40 0 CFABRO C[C@@H]([NH2+]Cc1ccc(F)cc1)C(=O)NC1CCCCC1 ZINC000055422236 373551705 /nfs/dbraw/zinc/55/17/05/373551705.db2.gz SOUKSWNKTZHJAJ-GFCCVEGCSA-N 1 0 278.371 2.753 40 0 CFABRO Cc1ccc(-c2ccc3nnc(C4CC[NH2+]CC4)n3n2)cc1 ZINC000058021731 373622948 /nfs/dbraw/zinc/62/29/48/373622948.db2.gz DZSJWXLUCPKNBF-UHFFFAOYSA-N 1 0 293.374 2.567 40 0 CFABRO CC1CC[NH+](CCCNC(=O)Cc2ccccc2F)CC1 ZINC000061553738 373720454 /nfs/dbraw/zinc/72/04/54/373720454.db2.gz YSGVFLDVRCCLSL-UHFFFAOYSA-N 1 0 292.398 2.606 40 0 CFABRO C[NH+]1CCC(NC(=O)c2ccccc2C(F)(F)F)CC1 ZINC000060313759 373691201 /nfs/dbraw/zinc/69/12/01/373691201.db2.gz XSESMJQVQFWHIO-UHFFFAOYSA-N 1 0 286.297 2.529 40 0 CFABRO Cc1ccc(C)c(C(=O)NCCC[NH+]2CCCC2)c1 ZINC000061547416 373719116 /nfs/dbraw/zinc/71/91/16/373719116.db2.gz OXGLGKBFGNPTIO-UHFFFAOYSA-N 1 0 260.381 2.519 40 0 CFABRO Cc1ccc(C[NH2+]CCCNc2nc(C)cc(C)n2)cc1 ZINC000062717845 373763545 /nfs/dbraw/zinc/76/35/45/373763545.db2.gz HGDYUBGSZIQNAY-UHFFFAOYSA-N 1 0 284.407 2.994 40 0 CFABRO COc1ccccc1CN1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000063527656 373809141 /nfs/dbraw/zinc/80/91/41/373809141.db2.gz JDFVAHRZXQDXAO-QGZVFWFLSA-N 1 0 274.408 2.613 40 0 CFABRO C[N@@H+]1CCC[C@]2(CCN(C(=O)CCc3ccccc3)C2)C1 ZINC000063527646 373809783 /nfs/dbraw/zinc/80/97/83/373809783.db2.gz QQIQCYVVOWTDFJ-SFHVURJKSA-N 1 0 286.419 2.564 40 0 CFABRO CC[C@H](C)Oc1ccccc1C[NH2+]CCCOC ZINC000066116245 373911400 /nfs/dbraw/zinc/91/14/00/373911400.db2.gz JYGPZPKUTKBRIE-ZDUSSCGKSA-N 1 0 251.370 2.990 40 0 CFABRO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000067800948 374003817 /nfs/dbraw/zinc/00/38/17/374003817.db2.gz MHMMRXINDHKRMU-CYBMUJFWSA-N 1 0 268.401 2.776 40 0 CFABRO CC(C)(C)OC(=O)NC1CC[NH+](CC2CCC2)CC1 ZINC000067800800 374004886 /nfs/dbraw/zinc/00/48/86/374004886.db2.gz KOGHQBXJTHAOKK-UHFFFAOYSA-N 1 0 268.401 2.776 40 0 CFABRO CCC[NH2+]C1(Cc2cc(-c3ccc(F)cc3)on2)COC1 ZINC000067897887 374012253 /nfs/dbraw/zinc/01/22/53/374012253.db2.gz ZUCJXCBPUSSTMH-UHFFFAOYSA-N 1 0 290.338 2.792 40 0 biogenic,in-vitro CFABRO FC1(F)CCN(c2cccc([C@H]3CCC[NH2+]3)n2)CC1 ZINC000072386978 374249016 /nfs/dbraw/zinc/24/90/16/374249016.db2.gz FUXRXDPHMMTOSX-LLVKDONJSA-N 1 0 267.323 2.742 40 0 CFABRO Cc1cc(C)cc(NC(=O)CC2CC[NH+](C)CC2)c1 ZINC000074920989 374447668 /nfs/dbraw/zinc/44/76/68/374447668.db2.gz IMZFUMOZFSJZJP-UHFFFAOYSA-N 1 0 260.381 2.974 40 0 CFABRO C[NH+]1CCC(CC(=O)NC2CCCCCC2)CC1 ZINC000074920970 374447773 /nfs/dbraw/zinc/44/77/73/374447773.db2.gz GUOHYRHDNWCPOQ-UHFFFAOYSA-N 1 0 252.402 2.557 40 0 CFABRO CC(C)[N@@H+](Cc1ccccc1)C[C@H]1CCCCN1CCO ZINC000079414315 374609567 /nfs/dbraw/zinc/60/95/67/374609567.db2.gz PZZFPJQZGJDJJO-GOSISDBHSA-N 1 0 290.451 2.744 40 0 CFABRO Ic1ccccc1C[NH2+]C1CC1 ZINC000079438398 374611867 /nfs/dbraw/zinc/61/18/67/374611867.db2.gz CEXZIEHSLZOGDX-UHFFFAOYSA-N 1 0 273.117 2.543 40 0 CFABRO CC(C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC000079437064 374611991 /nfs/dbraw/zinc/61/19/91/374611991.db2.gz NLOZWKJOKIDHPP-VXGBXAGGSA-N 1 0 256.390 2.820 40 0 CFABRO CC(C)[NH2+]C[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079437221 374612327 /nfs/dbraw/zinc/61/23/27/374612327.db2.gz FQXMKEDPXZOHJL-HNNXBMFYSA-N 1 0 276.380 2.643 40 0 CFABRO Cc1ccc(C)c([C@H](C)NC(=O)[C@@H]2CCC[N@H+](C)C2)c1 ZINC000081230098 374689281 /nfs/dbraw/zinc/68/92/81/374689281.db2.gz GUYHWWFUCVDRIW-LSDHHAIUSA-N 1 0 274.408 2.822 40 0 CFABRO C[N@@H+]1CCC[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000082332811 374737826 /nfs/dbraw/zinc/73/78/26/374737826.db2.gz JROFPLSCADHFDB-SNVBAGLBSA-N 1 0 286.297 2.986 40 0 CFABRO C[NH2+]Cc1cc2cc(Br)cc(C)c2[nH]1 ZINC000095095261 375413099 /nfs/dbraw/zinc/41/30/99/375413099.db2.gz OXNRFWWHNVESAQ-UHFFFAOYSA-N 1 0 253.143 2.958 40 0 CFABRO c1csc(C[N@H+]2CC[C@H]3[C@H]2CCN3Cc2ccccn2)c1 ZINC000096184714 375474964 /nfs/dbraw/zinc/47/49/64/375474964.db2.gz SQXAABCDTHDXMR-DLBZAZTESA-N 1 0 299.443 2.992 40 0 CFABRO CC(C)[N@@H+]1CC[C@H]2[C@@H]1CCC(=O)N2c1ccccc1 ZINC000096186440 375475449 /nfs/dbraw/zinc/47/54/49/375475449.db2.gz OUTCWIBFRYMLHG-GJZGRUSLSA-N 1 0 258.365 2.665 40 0 CFABRO Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3c2ccccn2)o1 ZINC000096184672 375475506 /nfs/dbraw/zinc/47/55/06/375475506.db2.gz VPCZYPOITCIRHR-JKSUJKDBSA-N 1 0 283.375 2.836 40 0 CFABRO COC[C@H]1Cn2cncc2C[N@H+](Cc2ccc(C)s2)C1 ZINC000096207203 375476619 /nfs/dbraw/zinc/47/66/19/375476619.db2.gz QSCPFSUMJGTWEZ-CYBMUJFWSA-N 1 0 291.420 2.531 40 0 CFABRO CCO[C@H]1CC[N@H+](Cc2nccn2C)[C@H]1Cc1ccccc1 ZINC000096200395 375476693 /nfs/dbraw/zinc/47/66/93/375476693.db2.gz VKXCUGQWHNDMCQ-IRXDYDNUSA-N 1 0 299.418 2.642 40 0 CFABRO O=C1C[C@H]2[C@@H](CC[N@@H+]2Cc2ccccn2)N1c1ccsc1 ZINC000096205779 375476711 /nfs/dbraw/zinc/47/67/11/375476711.db2.gz KZQJBHXNSBIFCP-CABCVRRESA-N 1 0 299.399 2.523 40 0 CFABRO COC[C@H]1CCC2(CCN(Cc3ccc(C)o3)CC2)[N@@H+]1C ZINC000096208681 375478005 /nfs/dbraw/zinc/47/80/05/375478005.db2.gz DARBQZLZHVZTPA-OAHLLOKOSA-N 1 0 292.423 2.663 40 0 CFABRO CCO[C@H]1CC2(CC[NH2+]CC2)c2cc(OC)ccc21 ZINC000096241874 375481779 /nfs/dbraw/zinc/48/17/79/375481779.db2.gz QAPXFDYCDHRZKV-HNNXBMFYSA-N 1 0 261.365 2.798 40 0 CFABRO CN1CC[C@]2(c3ccccc3)CC[N@H+](CC3CC3)C[C@H]12 ZINC000096251814 375482329 /nfs/dbraw/zinc/48/23/29/375482329.db2.gz QHECJBFSKYLWJM-ZWKOTPCHSA-N 1 0 270.420 2.744 40 0 CFABRO Fc1cccc(-c2nc3c(c(NC4CC4)n2)C[NH2+]CC3)c1 ZINC000096254237 375482371 /nfs/dbraw/zinc/48/23/71/375482371.db2.gz RWFSHIPJQFTFQY-UHFFFAOYSA-N 1 0 284.338 2.503 40 0 CFABRO CCn1nccc1C[NH2+]Cc1cn(C2CCCC2)nc1C ZINC000256049665 190002108 /nfs/dbraw/zinc/00/21/08/190002108.db2.gz AVWYKOJTKYJQNF-UHFFFAOYSA-N 1 0 287.411 2.813 40 0 CFABRO CCn1nc(C)c(C[NH2+]CCc2ccccc2)c1F ZINC000256050734 190002941 /nfs/dbraw/zinc/00/29/41/190002941.db2.gz GHHRGVKTZXRYLG-UHFFFAOYSA-N 1 0 261.344 2.683 40 0 CFABRO Fc1ccc(C[NH2+]Cc2ccnn2C(F)F)cc1 ZINC000256051528 190003597 /nfs/dbraw/zinc/00/35/97/190003597.db2.gz JMNKBLYDCBBXOR-UHFFFAOYSA-N 1 0 255.243 2.707 40 0 CFABRO [NH3+]Cc1ccc(OC(F)(F)[C@H](F)OC(F)(F)F)cc1 ZINC000098211043 375610786 /nfs/dbraw/zinc/61/07/86/375610786.db2.gz AIRFBGGCVQLNNJ-MRVPVSSYSA-N 1 0 289.175 2.949 40 0 CFABRO CCn1cc(C[NH2+]Cc2cnn(C3CCCC3)c2)cn1 ZINC000256054662 190005756 /nfs/dbraw/zinc/00/57/56/190005756.db2.gz XFRVOPGUILWQHN-UHFFFAOYSA-N 1 0 273.384 2.504 40 0 CFABRO CC(C)n1nccc1-c1nccnc1C[C@@H]1CCC[N@H+](C)C1 ZINC000257204071 190011219 /nfs/dbraw/zinc/01/12/19/190011219.db2.gz ASYDSSLVDDROSS-AWEZNQCLSA-N 1 0 299.422 2.805 40 0 CFABRO Cc1cnc([C@@H]2CCC[N@H+](Cc3ccnc(C)n3)C2)s1 ZINC000257204011 190011895 /nfs/dbraw/zinc/01/18/95/190011895.db2.gz ASQJHOBYMMSJSL-CYBMUJFWSA-N 1 0 288.420 2.930 40 0 CFABRO Nc1nccnc1C[C@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC000257212044 190013330 /nfs/dbraw/zinc/01/33/30/190013330.db2.gz CBRRADULQKEIBW-GFCCVEGCSA-N 1 0 288.420 2.575 40 0 CFABRO CN(C)c1cc([C@@H]2CCC[N@@H+]2Cc2ccccn2)ccn1 ZINC000257228391 190016079 /nfs/dbraw/zinc/01/60/79/190016079.db2.gz FTQDOWDIQZDZJM-INIZCTEOSA-N 1 0 282.391 2.880 40 0 CFABRO Cc1cnc(-c2cc(C)nc([C@H]3CCC[NH2+]3)n2)s1 ZINC000257234551 190016924 /nfs/dbraw/zinc/01/69/24/190016924.db2.gz GUCPBFAEUXEBGV-SNVBAGLBSA-N 1 0 260.366 2.641 40 0 CFABRO c1cc2ccnc(CC3C[NH+](Cc4cccnc4)C3)c2[nH]1 ZINC000257221617 190014575 /nfs/dbraw/zinc/01/45/75/190014575.db2.gz DPVUYNOENSEDPI-UHFFFAOYSA-N 1 0 278.359 2.632 40 0 CFABRO COc1ccccc1[C@@H]1C[NH2+]CCN1Cc1ncccc1C ZINC000257222964 190014943 /nfs/dbraw/zinc/01/49/43/190014943.db2.gz DVHYQTYFYMUPKW-KRWDZBQOSA-N 1 0 297.402 2.545 40 0 CFABRO c1ncc(C[N@@H+]2CCC[C@@H](c3ccc4c[nH]nc4n3)C2)s1 ZINC000257225987 190015248 /nfs/dbraw/zinc/01/52/48/190015248.db2.gz FIRPCAKKYLDENM-GFCCVEGCSA-N 1 0 299.403 2.794 40 0 CFABRO CC(C)[N@@H+]1CCC[C@@H](Cc2cncc(-c3ccnn3C)n2)C1 ZINC000257252806 190020815 /nfs/dbraw/zinc/02/08/15/190020815.db2.gz JWESAIUYWAXYAW-AWEZNQCLSA-N 1 0 299.422 2.540 40 0 CFABRO CC(C)C[N@@H+]1CC[C@H](O)[C@@H](Oc2ccccc2F)CC1 ZINC000257246308 190019135 /nfs/dbraw/zinc/01/91/35/190019135.db2.gz ITOGIISTWUAYAW-HOCLYGCPSA-N 1 0 281.371 2.686 40 0 CFABRO Cc1nc(Nc2cc(C)nc([C@H]3CC[NH2+]C3)n2)sc1C ZINC000257244646 190019406 /nfs/dbraw/zinc/01/94/06/190019406.db2.gz IMEVKBNIISBWLB-NSHDSACASA-N 1 0 289.408 2.679 40 0 CFABRO Cc1cn(-c2ccnc([C@@H]3CCC[N@@H+](C)C3)c2)c(C)n1 ZINC000257264945 190023020 /nfs/dbraw/zinc/02/30/20/190023020.db2.gz LWPYRBNOOSZBOH-CQSZACIVSA-N 1 0 270.380 2.693 40 0 CFABRO Cc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2cncs2)C1 ZINC000257256633 190021879 /nfs/dbraw/zinc/02/18/79/190021879.db2.gz KMHBASGLGUWOCX-LLVKDONJSA-N 1 0 262.382 2.554 40 0 CFABRO C[N@@H+]1CCC[C@H]1c1ccnc(C(=O)NCC(C)(C)C)c1 ZINC000257264069 190022760 /nfs/dbraw/zinc/02/27/60/190022760.db2.gz LSUFUNYGZAYXDH-AWEZNQCLSA-N 1 0 275.396 2.624 40 0 CFABRO CCc1nccn1-c1ccnc([C@H]2CCC[N@H+](C)C2)c1 ZINC000257279465 190025258 /nfs/dbraw/zinc/02/52/58/190025258.db2.gz OGTZMKWMMWYSOL-ZDUSSCGKSA-N 1 0 270.380 2.639 40 0 CFABRO Cc1c[nH]c(-c2cc(C[C@@H]3CCC[N@@H+](C(C)C)C3)ncn2)n1 ZINC000257280531 190025267 /nfs/dbraw/zinc/02/52/67/190025267.db2.gz OLGBVMNORJKLLI-AWEZNQCLSA-N 1 0 299.422 2.838 40 0 CFABRO c1cc([C@@H]2CC[N@@H+](Cc3cccc4cccnc43)C2)n[nH]1 ZINC000257280826 190025370 /nfs/dbraw/zinc/02/53/70/190025370.db2.gz OMOPHVPXOKKXNW-CQSZACIVSA-N 1 0 278.359 2.947 40 0 CFABRO CNc1ncccc1C[NH+]1CCC(Cc2ccncc2)CC1 ZINC000257289860 190027881 /nfs/dbraw/zinc/02/78/81/190027881.db2.gz QAMQTLDRIVVOLC-UHFFFAOYSA-N 1 0 296.418 2.973 40 0 CFABRO Cc1ncsc1C[N@@H+]1CCC[C@@H](Cc2cc[nH]n2)C1 ZINC000257296897 190028642 /nfs/dbraw/zinc/02/86/42/190028642.db2.gz REWUFBULRWJFAF-LBPRGKRZSA-N 1 0 276.409 2.629 40 0 CFABRO Cc1nc(Nc2cccc([C@@H]3C[NH2+]CCO3)n2)sc1C ZINC000257298824 190029020 /nfs/dbraw/zinc/02/90/20/190029020.db2.gz RNKOCVMDXVRWFD-LBPRGKRZSA-N 1 0 290.392 2.559 40 0 CFABRO Cc1c[nH]c([C@H]2CCC[N@H+](CC3(O)CCCCC3)C2)n1 ZINC000257299629 190029297 /nfs/dbraw/zinc/02/92/97/190029297.db2.gz RQVPDVWDQITBQK-AWEZNQCLSA-N 1 0 277.412 2.593 40 0 CFABRO CCc1nnc(Nc2cccc([C@@H]3CCC[NH2+]C3)n2)s1 ZINC000257301179 190030235 /nfs/dbraw/zinc/03/02/35/190030235.db2.gz RXHZAIFTOXRZMX-SNVBAGLBSA-N 1 0 289.408 2.706 40 0 CFABRO Cc1c[nH]nc1C[C@@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000257304343 190030467 /nfs/dbraw/zinc/03/04/67/190030467.db2.gz SLEHMXAMPLHXOZ-AWEZNQCLSA-N 1 0 270.380 2.568 40 0 CFABRO CN(C)c1cc([C@@H]2CCC[N@@H+](C3CCOCC3)C2)ccn1 ZINC000257303153 190030765 /nfs/dbraw/zinc/03/07/65/190030765.db2.gz SFZSXYACMQQLHE-OAHLLOKOSA-N 1 0 289.423 2.506 40 0 CFABRO CC(C)n1cc(-c2cncc(C3CC[NH+](C)CC3)n2)cn1 ZINC000257306581 190030963 /nfs/dbraw/zinc/03/09/63/190030963.db2.gz SUXMSOSUHXCODL-UHFFFAOYSA-N 1 0 285.395 2.730 40 0 CFABRO c1cc(C[N@@H+]2CCC[C@H](c3ccncn3)C2)cs1 ZINC000257322041 190033828 /nfs/dbraw/zinc/03/38/28/190033828.db2.gz WEIVEACUPAFQOX-ZDUSSCGKSA-N 1 0 259.378 2.918 40 0 CFABRO CC(C)[N@H+]1C[C@H]2[C@@H](C1)CCC[C@@H]2Cc1ncccn1 ZINC000257326411 190034673 /nfs/dbraw/zinc/03/46/73/190034673.db2.gz WXDDGVWWFDDTCB-RBSFLKMASA-N 1 0 259.397 2.776 40 0 CFABRO Cc1cnc(-c2cc(C)nc(CC3CC[NH2+]CC3)n2)s1 ZINC000257332565 190035851 /nfs/dbraw/zinc/03/58/51/190035851.db2.gz XXWKNZLISFNDOV-UHFFFAOYSA-N 1 0 288.420 2.759 40 0 CFABRO Cc1cc(-c2cnc(CC3CC[NH+](C(C)C)CC3)cn2)n[nH]1 ZINC000257342097 190036966 /nfs/dbraw/zinc/03/69/66/190036966.db2.gz ZNCATWZNKCKAOL-UHFFFAOYSA-N 1 0 299.422 2.838 40 0 CFABRO CNc1cc([C@@H]2CCC[N@@H+]2Cc2cccnc2)ccn1 ZINC000257340216 190037048 /nfs/dbraw/zinc/03/70/48/190037048.db2.gz ZFCLNCQETPYXLN-HNNXBMFYSA-N 1 0 268.364 2.855 40 0 CFABRO C[C@]1(CNC(=O)OCc2ccccc2)CCC[NH2+]CC1 ZINC000261508487 190040259 /nfs/dbraw/zinc/04/02/59/190040259.db2.gz TWBGIUOWKLGALC-INIZCTEOSA-N 1 0 276.380 2.693 40 0 CFABRO CCOC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CC ZINC000148212741 378256329 /nfs/dbraw/zinc/25/63/29/378256329.db2.gz SSUNIEBHQGPUCV-HUUCEWRRSA-N 1 0 261.365 2.708 40 0 CFABRO CCCn1nccc1C[NH2+]Cc1ccc(OC)cc1 ZINC000159960304 378739869 /nfs/dbraw/zinc/73/98/69/378739869.db2.gz PNCHNAFGYKXKAU-UHFFFAOYSA-N 1 0 259.353 2.592 40 0 CFABRO Cn1nc(C2CCCCC2)cc1NC(=O)[C@@H]([NH3+])C1CCC1 ZINC000333876583 378871106 /nfs/dbraw/zinc/87/11/06/378871106.db2.gz VKRKOFIUUWIAKA-HNNXBMFYSA-N 1 0 290.411 2.534 40 0 CFABRO C1C[NH2+]C[C@@H](c2nc([C@H]3CCCSCC3)no2)C1 ZINC000575415208 382770158 /nfs/dbraw/zinc/77/01/58/382770158.db2.gz ZWUUFUZAOIZTDM-QWRGUYRKSA-N 1 0 267.398 2.537 40 0 CFABRO Cc1ccc(-c2ccc3nnc([C@H]4CCCC[NH2+]4)n3n2)cc1 ZINC000217563027 382787002 /nfs/dbraw/zinc/78/70/02/382787002.db2.gz MSFFFYJKTDBRJS-OAHLLOKOSA-N 1 0 293.374 2.914 40 0 CFABRO CC(C)(C)OC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000228961936 382849560 /nfs/dbraw/zinc/84/95/60/382849560.db2.gz NCORCCNGHBEPQG-HNNXBMFYSA-N 1 0 291.391 2.619 40 0 CFABRO COc1ccc([C@@H]2CC(N)=[NH+]N2c2ccccc2)cc1OC ZINC000222549111 382802463 /nfs/dbraw/zinc/80/24/63/382802463.db2.gz YKYCLESUBKQYHM-AWEZNQCLSA-N 1 0 297.358 2.927 40 0 CFABRO Cc1ccc(C(=O)NCC[NH+]2CCCCCC2)c(C)c1 ZINC000225056518 382812801 /nfs/dbraw/zinc/81/28/01/382812801.db2.gz XWNORJSUTHHLHK-UHFFFAOYSA-N 1 0 274.408 2.909 40 0 CFABRO CC(C)Oc1ccc(NC(=S)NCCC[NH+](C)C)cc1 ZINC000225402973 382815304 /nfs/dbraw/zinc/81/53/04/382815304.db2.gz PPZHHTLYRGFHEM-UHFFFAOYSA-N 1 0 295.452 2.712 40 0 CFABRO COc1ccc([C@H](C)N2CC[NH2+][C@@H]3CCCC[C@@H]32)cc1 ZINC000225715000 382820617 /nfs/dbraw/zinc/82/06/17/382820617.db2.gz KUSCMGFHXLDZSL-XKQJLSEDSA-N 1 0 274.408 2.973 40 0 CFABRO c1cc(CO[C@@H]2CSC3(C[NH+](CC4CC4)C3)C2)ccn1 ZINC000253590607 383464158 /nfs/dbraw/zinc/46/41/58/383464158.db2.gz CJWBNEKEUNTDGZ-HNNXBMFYSA-N 1 0 290.432 2.568 40 0 CFABRO Cc1nc(-c2ncc[nH]2)cc([C@@H]2CC[N@@H+](CC(C)C)C2)n1 ZINC000257237338 383493389 /nfs/dbraw/zinc/49/33/89/383493389.db2.gz HGAUCNLWXMAVPX-CYBMUJFWSA-N 1 0 285.395 2.620 40 0 CFABRO OC[C@@H](c1ccccc1C(F)(F)F)[NH+]1CCCC1 ZINC000070453364 285272289 /nfs/dbraw/zinc/27/22/89/285272289.db2.gz RTCDFLGYLWEPLT-LBPRGKRZSA-N 1 0 259.271 2.835 40 0 CFABRO C[NH2+]CCCNc1cc(C)nc2c(OC)cc(OC)cc12 ZINC000222691243 130791320 /nfs/dbraw/zinc/79/13/20/130791320.db2.gz HSKIIRCIYDAGII-UHFFFAOYSA-N 1 0 289.379 2.582 40 0 CFABRO COCc1ccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)o1 ZINC000245227797 131084211 /nfs/dbraw/zinc/08/42/11/131084211.db2.gz VNYDKHHKVGBFDB-BBRMVZONSA-N 1 0 279.380 2.553 40 0 CFABRO CCC(=O)N1N=C2[C@@H]([C@@H]1c1ccco1)[C@H](C)[N@H+](C)C[C@@H]2C ZINC000004724370 393459103 /nfs/dbraw/zinc/45/91/03/393459103.db2.gz URLGZASRDBGECB-KHJVZFFJSA-N 1 0 289.379 2.515 40 0 CFABRO [NH3+][C@@H]1CCCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000038539845 393539224 /nfs/dbraw/zinc/53/92/24/393539224.db2.gz NXZNYVSRFFRKCX-GFCCVEGCSA-N 1 0 258.287 2.629 40 0 CFABRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]Cc2cccnc2)C1 ZINC000043324834 393559619 /nfs/dbraw/zinc/55/96/19/393559619.db2.gz JXBUOGOUJLTBTC-CQSZACIVSA-N 1 0 291.395 2.571 40 0 CFABRO CC[C@@H]([NH2+]C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000072207689 393642607 /nfs/dbraw/zinc/64/26/07/393642607.db2.gz WHJWREPZZGMRAR-NWDGAFQWSA-N 1 0 256.390 2.632 40 0 CFABRO CCOC(=O)C[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000072210293 393643330 /nfs/dbraw/zinc/64/33/30/393643330.db2.gz APYAFRLXOILQIV-GFCCVEGCSA-N 1 0 255.745 2.896 40 0 CFABRO CCOC(=O)C[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000072210292 393643364 /nfs/dbraw/zinc/64/33/64/393643364.db2.gz APYAFRLXOILQIV-LBPRGKRZSA-N 1 0 255.745 2.896 40 0 CFABRO Cc1nc(N2CCCc3ccccc32)ccc1C[NH3+] ZINC000072224954 393647438 /nfs/dbraw/zinc/64/74/38/393647438.db2.gz YDVQKMNPSCATKF-UHFFFAOYSA-N 1 0 253.349 2.933 40 0 CFABRO C[NH2+]Cc1ccc(N(C)Cc2ccccc2)nc1C ZINC000072224450 393647670 /nfs/dbraw/zinc/64/76/70/393647670.db2.gz QLIWGCYAYFXXDP-UHFFFAOYSA-N 1 0 255.365 2.746 40 0 CFABRO CC[C@H]([C@H]([NH3+])c1ccc(Cl)cc1Cl)S(C)(=O)=O ZINC000096524904 393838421 /nfs/dbraw/zinc/83/84/21/393838421.db2.gz LCYHSDRUEJQHOS-GHMZBOCLSA-N 1 0 296.219 2.816 40 0 CFABRO c1ccc(C[N@H+]2C[C@H]3CN(c4ccccn4)C[C@H]3C2)cc1 ZINC000307010280 397643445 /nfs/dbraw/zinc/64/34/45/397643445.db2.gz NSIHZNIMTGCVJZ-CALCHBBNSA-N 1 0 279.387 2.650 40 0 CFABRO Nc1ccc(C(=O)OCCCC[C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000001709168 169747121 /nfs/dbraw/zinc/74/71/21/169747121.db2.gz DRKITQCJEFDPLR-DOMZBBRYSA-N 1 0 276.380 2.723 40 0 CFABRO COc1cc(N[C@@H](C)CCC[NH3+])c2ncccc2c1OC ZINC000005929391 170156638 /nfs/dbraw/zinc/15/66/38/170156638.db2.gz BKJXJTYXBUSXTA-NSHDSACASA-N 1 0 289.379 2.791 40 0 CFABRO CC/C=C\[C@](O)(C(=O)OC1CC[NH+](C)CC1)C1CCCC1 ZINC000005954604 170162177 /nfs/dbraw/zinc/16/21/77/170162177.db2.gz KZQMQKXFKZZRSP-IAQFLPNQSA-N 1 0 295.423 2.511 40 0 CFABRO CC1CC[NH+](C[C@H](O)COc2ccccc2Cl)CC1 ZINC000006308206 170189857 /nfs/dbraw/zinc/18/98/57/170189857.db2.gz AMIYIGFMENZNOQ-ZDUSSCGKSA-N 1 0 283.799 2.812 40 0 CFABRO CC(C)(C)[NH2+]C[C@@H](O)CO[C@@H]1C(C)(C)[C@@H]2CC[C@@]1(C)C2 ZINC000006617284 170219595 /nfs/dbraw/zinc/21/95/95/170219595.db2.gz UFIRONLXRKAFNH-WBOJAVRRSA-N 1 0 283.456 2.967 40 0 CFABRO O=c1cccc2n1C[C@@H]1C[C@H]2C[N@H+](Cc2ccccc2F)C1 ZINC000006678344 170225362 /nfs/dbraw/zinc/22/53/62/170225362.db2.gz JFDKUIJZUVMRDX-HIFRSBDPSA-N 1 0 298.361 2.607 40 0 CFABRO Fc1ccccc1NC(=S)NCCC[NH+]1CCCCC1 ZINC000007970903 170310401 /nfs/dbraw/zinc/31/04/01/170310401.db2.gz DWDBIEOCQPTSQV-UHFFFAOYSA-N 1 0 295.427 2.988 40 0 CFABRO CCCc1nc(C)cc(NCCCCCC[NH3+])n1 ZINC000008731069 170351345 /nfs/dbraw/zinc/35/13/45/170351345.db2.gz JSKKFBNPXAHZJQ-UHFFFAOYSA-N 1 0 250.390 2.669 40 0 CFABRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc(Cl)c2)C1 ZINC000009876590 170388447 /nfs/dbraw/zinc/38/84/47/170388447.db2.gz NQCWEVMXQLOYNU-NSHDSACASA-N 1 0 281.787 2.803 40 0 CFABRO C[C@@H](Sc1ccccc1)C(=O)NCCC[NH+]1CCCC1 ZINC000010450016 170407327 /nfs/dbraw/zinc/40/73/27/170407327.db2.gz JNTHZBPFUPEWOV-CQSZACIVSA-N 1 0 292.448 2.769 40 0 CFABRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(N)=S)cc1 ZINC000020160472 171039976 /nfs/dbraw/zinc/03/99/76/171039976.db2.gz NXRZCACJVXUBDQ-NSHDSACASA-N 1 0 263.410 2.717 40 0 CFABRO [NH3+]Cc1cc(-c2ccc(Cl)cc2Cl)ncn1 ZINC000020384106 171175459 /nfs/dbraw/zinc/17/54/59/171175459.db2.gz OBHVWOBOHMJFFP-UHFFFAOYSA-N 1 0 254.120 2.909 40 0 CFABRO O=c1[nH]c2ccccc2n1CCC[NH2+]Cc1cccs1 ZINC000035312426 172122723 /nfs/dbraw/zinc/12/27/23/172122723.db2.gz HNYBJGCUTRKIQW-UHFFFAOYSA-N 1 0 287.388 2.571 40 0 CFABRO c1ccc2[nH]c([C@H]3CC[N@@H+](Cc4ccncc4)C3)nc2c1 ZINC000035446651 172203401 /nfs/dbraw/zinc/20/34/01/172203401.db2.gz XBAFBMRGRCZMLD-AWEZNQCLSA-N 1 0 278.359 2.947 40 0 biogenic,in-vitro CFABRO CCOc1cccc(-c2noc([C@H]3CCC[NH2+]C3)n2)c1 ZINC000035676647 172347280 /nfs/dbraw/zinc/34/72/80/172347280.db2.gz VCDLPGTYKMHPBE-LBPRGKRZSA-N 1 0 273.336 2.602 40 0 CFABRO [NH3+][C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1 ZINC000038539776 174145230 /nfs/dbraw/zinc/14/52/30/174145230.db2.gz UIOGNJDOOMVHAP-LBPRGKRZSA-N 1 0 258.287 2.629 40 0 CFABRO [NH3+][C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 ZINC000038539841 174145526 /nfs/dbraw/zinc/14/55/26/174145526.db2.gz ANFBQMZPEXRQFY-LLVKDONJSA-N 1 0 259.180 2.917 40 0 CFABRO CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000040740310 174390667 /nfs/dbraw/zinc/39/06/67/174390667.db2.gz NPXKLAYCTDTUCO-YOGCLGLASA-N 1 0 254.374 2.526 40 0 CFABRO CC(C)(C)OC(=O)N1CC([NH2+]Cc2ccc(F)cc2)C1 ZINC000071335224 176126917 /nfs/dbraw/zinc/12/69/17/176126917.db2.gz YZAZFCGOHSYDAX-UHFFFAOYSA-N 1 0 280.343 2.535 40 0 CFABRO Fc1cc(-c2noc([C@@H]3CCC[NH2+]C3)n2)ccc1Cl ZINC000072226851 176343289 /nfs/dbraw/zinc/34/32/89/176343289.db2.gz NGMIWLLDFSTKIG-SECBINFHSA-N 1 0 281.718 2.996 40 0 CFABRO Cc1ccccc1OC1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000072351004 176373771 /nfs/dbraw/zinc/37/37/71/176373771.db2.gz YLUDEKCLQFURLC-UHFFFAOYSA-N 1 0 285.391 2.772 40 0 CFABRO CC(C)[N@@H+]1CCC[C@H](c2cncc(Nc3ncccn3)n2)C1 ZINC000072354316 176374795 /nfs/dbraw/zinc/37/47/95/176374795.db2.gz CUCCEJQOJYACKK-ZDUSSCGKSA-N 1 0 298.394 2.598 40 0 CFABRO Cc1ncccc1Oc1cncc([C@H]2CCC[N@H+]2C)n1 ZINC000072361559 176377444 /nfs/dbraw/zinc/37/74/44/176377444.db2.gz QXIFEBBNMVDHNK-CYBMUJFWSA-N 1 0 270.336 2.739 40 0 CFABRO CC(C)[N@@H+]1CCC[C@H](Cc2nccnc2Cl)C1 ZINC000072363355 176377623 /nfs/dbraw/zinc/37/76/23/176377623.db2.gz IQHSSJVBLOQEJV-LLVKDONJSA-N 1 0 253.777 2.793 40 0 CFABRO Cc1cc(Cc2ccc(F)cc2)nc(C2CC[NH2+]CC2)n1 ZINC000072363335 176377718 /nfs/dbraw/zinc/37/77/18/176377718.db2.gz QJFJAFGHHNFVHW-UHFFFAOYSA-N 1 0 285.366 2.982 40 0 CFABRO CC[NH+]1CCC(Cc2cnc(Nc3ccccn3)cn2)CC1 ZINC000072363452 176378336 /nfs/dbraw/zinc/37/83/36/176378336.db2.gz SDFBHHOYWJVZKQ-UHFFFAOYSA-N 1 0 297.406 2.890 40 0 CFABRO c1cncc(CNc2cccc(C[C@H]3CCC[NH2+]C3)n2)c1 ZINC000072364742 176379909 /nfs/dbraw/zinc/37/99/09/176379909.db2.gz YJOVYXAPEBWCMW-CQSZACIVSA-N 1 0 282.391 2.631 40 0 CFABRO Fc1cccc(CNc2cnc([C@H]3CCC[NH2+]C3)cn2)c1 ZINC000072365078 176379959 /nfs/dbraw/zinc/37/99/59/176379959.db2.gz GPGSQNKDIXNKSC-ZDUSSCGKSA-N 1 0 286.354 2.695 40 0 CFABRO C[N@@H+]1CCC[C@@H](Cc2cnc(-c3ccc(CO)cc3)cn2)C1 ZINC000072365263 176380661 /nfs/dbraw/zinc/38/06/61/176380661.db2.gz GTQXTCIHWSGOOJ-HNNXBMFYSA-N 1 0 297.402 2.520 40 0 CFABRO Cc1cnc(Nc2nccnc2C2CC[NH+](C)CC2)s1 ZINC000072365547 176380700 /nfs/dbraw/zinc/38/07/00/176380700.db2.gz PJNOSISVEPEZDV-UHFFFAOYSA-N 1 0 289.408 2.794 40 0 CFABRO Cc1nccc(C2CC[NH+](Cc3ccncc3)CC2)n1 ZINC000072369478 176384422 /nfs/dbraw/zinc/38/44/22/176384422.db2.gz MQDZBPXMTMECMO-UHFFFAOYSA-N 1 0 268.364 2.560 40 0 CFABRO Fc1ccc(-c2cc(C[C@H]3CCC[NH2+]C3)ncn2)cc1 ZINC000072384546 176388668 /nfs/dbraw/zinc/38/86/68/176388668.db2.gz ZCXCZHAFQPEQEU-GFCCVEGCSA-N 1 0 271.339 2.825 40 0 CFABRO Fc1ccccc1C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000072384960 176388834 /nfs/dbraw/zinc/38/88/34/176388834.db2.gz ZOUJGORIBRJOIA-ZDUSSCGKSA-N 1 0 259.328 2.928 40 0 CFABRO CNc1ncccc1C[NH+]1CCC(c2cncc(C)n2)CC1 ZINC000072386195 176391567 /nfs/dbraw/zinc/39/15/67/176391567.db2.gz PFLLRVDIFWWLMQ-UHFFFAOYSA-N 1 0 297.406 2.601 40 0 CFABRO Cc1ccc(Cc2cnc(C3CC[NH2+]CC3)cn2)cc1 ZINC000072386829 176392011 /nfs/dbraw/zinc/39/20/11/176392011.db2.gz RUNMWCQLXYBTAM-UHFFFAOYSA-N 1 0 267.376 2.843 40 0 CFABRO C[N@@H+]1CCC[C@H](C(=O)NCCSC2CCCCC2)C1 ZINC000078578520 177356143 /nfs/dbraw/zinc/35/61/43/177356143.db2.gz NADSEXWCSVZDFB-ZDUSSCGKSA-N 1 0 284.469 2.510 40 0 CFABRO O=C(CCSc1ccccc1)NCCC[NH+]1CCCC1 ZINC000013669772 260074903 /nfs/dbraw/zinc/07/49/03/260074903.db2.gz CBQDCASBCSSYPD-UHFFFAOYSA-N 1 0 292.448 2.771 40 0 CFABRO Cc1cc(C)nc(NCC[NH2+]C/C=C/c2ccccc2)n1 ZINC000062717855 262303827 /nfs/dbraw/zinc/30/38/27/262303827.db2.gz SDQQGMMHMRBXJY-RMKNXTFCSA-N 1 0 282.391 2.808 40 0 CFABRO c1cncc(-c2cccc3c2C2(CN3)CC[NH2+]CC2)c1 ZINC000101050547 275073726 /nfs/dbraw/zinc/07/37/26/275073726.db2.gz JQSFGTNPPRUJPQ-UHFFFAOYSA-N 1 0 265.360 2.795 40 0 CFABRO Brc1ccc2[nH]c([C@H]3CCC[NH2+]C3)nc2c1 ZINC000037441105 275370065 /nfs/dbraw/zinc/37/00/65/275370065.db2.gz UUVYRPYGICUZDK-QMMMGPOBSA-N 1 0 280.169 2.792 40 0 CFABRO CC1CC(C[NH3+])([C@H](O)c2ccc(Br)cc2)C1 ZINC000085395704 276187375 /nfs/dbraw/zinc/18/73/75/276187375.db2.gz TYBABOFZSKEXTR-BKDHPRRPSA-N 1 0 284.197 2.858 40 0 CFABRO CC(C)[NH2+][C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000079437060 277666186 /nfs/dbraw/zinc/66/61/86/277666186.db2.gz NLOZWKJOKIDHPP-RYUDHWBXSA-N 1 0 256.390 2.820 40 0 CFABRO C[C@H]([NH3+])c1nnc(-c2cccc(C(F)(F)F)c2)[nH]1 ZINC000061843940 278232514 /nfs/dbraw/zinc/23/25/14/278232514.db2.gz UJJQZDFRSDIZNT-LURJTMIESA-N 1 0 256.231 2.510 40 0 CFABRO Cc1ccc(C(=O)N2CCC[C@]3(CCC[NH2+]C3)C2)cc1 ZINC000033426406 278784581 /nfs/dbraw/zinc/78/45/81/278784581.db2.gz WNNFOPPMQLZHES-KRWDZBQOSA-N 1 0 272.392 2.601 40 0 CFABRO O=C1OCCC2(CC[NH+](Cc3ccccc3)CC2)O1 ZINC000001716920 280306062 /nfs/dbraw/zinc/30/60/62/280306062.db2.gz CKAOLORUGCLEDY-UHFFFAOYSA-N 1 0 261.321 2.578 40 0 CFABRO COc1cccc2c1OC(C)(C)[C@H]1CC3(C[NH2+]C3)CO[C@H]21 ZINC000257233981 295339343 /nfs/dbraw/zinc/33/93/43/295339343.db2.gz GRORTBCYQPRPAD-GXTWGEPZSA-N 1 0 289.375 2.533 40 0 CFABRO Cc1cccc(OC[C@@H](O)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000004333105 302006956 /nfs/dbraw/zinc/00/69/56/302006956.db2.gz KGUWUSOKGHJKGH-XHSDSOJGSA-N 1 0 277.408 2.713 40 0 CFABRO