smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CCC[N@H+](C)CCN(C)CCC[NH+](C)CC1 ZINC000019943120 348074842 /nfs/dbraw/zinc/07/48/42/348074842.db2.gz HRFJEOWVAGSJNW-UHFFFAOYSA-N 2 0 256.438 0.507 50 0 CCAARP CN1CC2(CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)OC1=O ZINC000072418669 282675315 /nfs/dbraw/zinc/67/53/15/282675315.db2.gz XNLGZUHMHKJTKB-GFCCVEGCSA-N 2 0 267.373 0.903 50 0 CCAARP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccnc(N)c3)C2)CC1 ZINC000191488233 351761002 /nfs/dbraw/zinc/76/10/02/351761002.db2.gz PFGXLWRQXPQNTG-OAHLLOKOSA-N 2 0 289.427 0.876 50 0 CCAARP Cn1cncc1C[NH+]1CCC(CO)(C[NH+](C)C)CC1 ZINC000216183367 351939973 /nfs/dbraw/zinc/93/99/73/351939973.db2.gz XASDXSSZQIYMEF-UHFFFAOYSA-N 2 0 266.389 0.556 50 0 CCAARP CCn1c(CN2CC[NH+](C)CC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000243901853 352308745 /nfs/dbraw/zinc/30/87/45/352308745.db2.gz BEWLAGOXUZFUMG-TXEJJXNPSA-N 2 0 278.404 0.250 50 0 CCAARP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000299738530 354042554 /nfs/dbraw/zinc/04/25/54/354042554.db2.gz BYYFCJOPRSAGSS-YNEHKIRRSA-N 2 0 253.390 0.914 50 0 CCAARP CN(CC[N@H+](C)C1CC1)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000328597208 354233573 /nfs/dbraw/zinc/23/35/73/354233573.db2.gz FTQWZGAICIYBIQ-UHFFFAOYSA-N 2 0 293.415 0.611 50 0 CCAARP C[NH+](C)[C@H]1CN(C(=O)C[NH+]2CCCCCCC2)C[C@@H]1O ZINC000584890919 359230733 /nfs/dbraw/zinc/23/07/33/359230733.db2.gz KUFMXFWEXQXBTF-KBPBESRZSA-N 2 0 283.416 0.386 50 0 CCAARP CN(CC[NH+]1CCCC1)c1cc(C2CC([NH3+])C2)nc(N)n1 ZINC000220063644 389138336 /nfs/dbraw/zinc/13/83/36/389138336.db2.gz LAKPHSMCJWVWRL-UHFFFAOYSA-N 2 0 290.415 0.796 50 0 CCAARP C[NH+](C)CC(=O)N1CCC(C[NH3+])(C(F)(F)F)CC1 ZINC000725264776 545884362 /nfs/dbraw/zinc/88/43/62/545884362.db2.gz VTWJSXMMLIKWHZ-UHFFFAOYSA-N 2 0 267.295 0.678 50 0 CCAARP C[C@@H]1CN(C(=O)C2([NH3+])Cc3ccccc3C2)CC[NH2+]1 ZINC000188453118 287867701 /nfs/dbraw/zinc/86/77/01/287867701.db2.gz WETDNDOKZQWBCF-LLVKDONJSA-N 2 0 259.353 0.303 50 0 CCAARP C[NH+](C)C[C@@]1(O)CCN(c2nc(N)[nH+]c3c2CCCC3)C1 ZINC000095366975 276800827 /nfs/dbraw/zinc/80/08/27/276800827.db2.gz QSWHUPVZHQCGMS-HNNXBMFYSA-N 2 0 291.399 0.440 50 0 CCAARP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000251897641 288304284 /nfs/dbraw/zinc/30/42/84/288304284.db2.gz WDMNDMRHRHHEJI-MROQNXINSA-N 2 0 251.374 0.809 50 0 CCAARP COCC[N@@H+]1CC[C@H](C(=O)NCC2([NH+](C)C)CCCC2)C1 ZINC000534574577 328309611 /nfs/dbraw/zinc/30/96/11/328309611.db2.gz ZNWHJZLHXOYSLC-AWEZNQCLSA-N 2 0 297.443 0.945 50 0 CCAARP C[NH+]1CCN(CC2(C[NH2+][C@@H]3CCOC3)CC2)CC1 ZINC000534654298 328338814 /nfs/dbraw/zinc/33/88/14/328338814.db2.gz UZZRHINNVVTAOL-CYBMUJFWSA-N 2 0 253.390 0.393 50 0 CCAARP CC(C)/C=C/C[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](O)C1 ZINC000023359250 623418413 /nfs/dbraw/zinc/41/84/13/623418413.db2.gz TYHFROUAXWIPBL-FZZYSBJUSA-N 2 0 281.444 0.881 50 0 CCAARP C[NH+](C)[C@@H]1CN(C(=O)C[NH+]2CCCCCC2)CC[C@@H]1CO ZINC000169791854 637060037 /nfs/dbraw/zinc/06/00/37/637060037.db2.gz ZBOGEFCCZKHODZ-HUUCEWRRSA-N 2 0 297.443 0.633 50 0 CCAARP CC(=O)c1c[nH]c(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000072255099 348917163 /nfs/dbraw/zinc/91/71/63/348917163.db2.gz IELDIRXQWRQFQG-UHFFFAOYSA-N 2 0 294.399 0.783 50 0 CCAARP COCC[N@@H+]1CCN(c2cc(C)[nH+]c(N)n2)C[C@H]1C ZINC000072276341 348918768 /nfs/dbraw/zinc/91/87/68/348918768.db2.gz BPRZVDZKFWKITH-LLVKDONJSA-N 2 0 265.361 0.524 50 0 CCAARP CN1CC[C@H]([NH+]2CCC(OCC[NH+]3CCCC3)CC2)C1=O ZINC000083877454 349312587 /nfs/dbraw/zinc/31/25/87/349312587.db2.gz MSLPMJGBEZXIGK-HNNXBMFYSA-N 2 0 295.427 0.794 50 0 CCAARP COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(c1cc(C)[nH+]c(N)n1)C2 ZINC000091364877 180142384 /nfs/dbraw/zinc/14/23/84/180142384.db2.gz BPDAXNBMZHXTFW-CHWSQXEVSA-N 2 0 291.399 0.914 50 0 CCAARP Cc1nccn1CCC[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000244900308 352315643 /nfs/dbraw/zinc/31/56/43/352315643.db2.gz ZZWQLJDACBPLFY-OAHLLOKOSA-N 2 0 277.416 0.561 50 0 CCAARP O=C(C[C@@H]1COCC[NH2+]1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000333616842 354764076 /nfs/dbraw/zinc/76/40/76/354764076.db2.gz RENIAIGZPDUPOD-HUUCEWRRSA-N 2 0 289.379 0.538 50 0 CCAARP C[C@H]1CCCN(C(=O)CC2CC[NH2+]CC2)[C@H]1C[NH3+] ZINC000156797153 389328298 /nfs/dbraw/zinc/32/82/98/389328298.db2.gz SYUUABLQJRCFLI-AAEUAGOBSA-N 2 0 253.390 0.962 50 0 CCAARP Cc1cc(C)n(CC2(C[NH2+]C[C@]3(O)CC[NH2+]C3)CC2)n1 ZINC000077470453 177271801 /nfs/dbraw/zinc/27/18/01/177271801.db2.gz BQPNBPMQLKWEDF-HNNXBMFYSA-N 2 0 278.400 0.594 50 0 CCAARP [NH3+]CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1cccnc1)CC2 ZINC000091876680 544528785 /nfs/dbraw/zinc/52/87/85/544528785.db2.gz RTYPVWPIQHQYGF-CABCVRRESA-N 2 0 291.395 0.772 50 0 CCAARP CC(C)[C@H]([NH3+])C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000236723273 277902883 /nfs/dbraw/zinc/90/28/83/277902883.db2.gz FUDLRCZMXQGOHT-KGLIPLIRSA-N 2 0 283.416 0.541 50 0 CCAARP [NH3+][C@@H]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000223424595 303465879 /nfs/dbraw/zinc/46/58/79/303465879.db2.gz MRYGAGWFFATSJE-JHJVBQTASA-N 2 0 251.374 0.811 50 0 CCAARP OCC[NH+]1CCC(C[NH2+]CCOCC(F)(F)F)CC1 ZINC000069621018 527551522 /nfs/dbraw/zinc/55/15/22/527551522.db2.gz VQRXVRRYTNWTSZ-UHFFFAOYSA-N 2 0 284.322 0.859 50 0 CCAARP [NH3+]CC(C[NH3+])NCc1cc(Cl)cc2c1OCC2 ZINC000888095307 631285468 /nfs/dbraw/zinc/28/54/68/631285468.db2.gz OSDIIKKGKYCJJQ-UHFFFAOYSA-N 2 0 255.749 0.651 50 0 CCAARP O=S1(=O)CC[C@H](CC[N@@H+]2CCC3(C2)CC[NH2+]CC3)C1 ZINC000693288960 791096292 /nfs/dbraw/zinc/09/62/92/791096292.db2.gz WDSNPQUPTSPOPL-ZDUSSCGKSA-N 2 0 286.441 0.887 50 0 CCAARP CC[N@@H+]1CCC[C@@H]1CN1CCC2(CC1)C[NH2+]CCO2 ZINC000823110196 821507251 /nfs/dbraw/zinc/50/72/51/821507251.db2.gz MZAPVCWMRUKGDE-CQSZACIVSA-N 2 0 267.417 0.925 50 0 CCAARP COC[C@@H](C)[NH2+]CC1(CN2CC[NH+](C)CC2)CC1 ZINC000824344088 821627913 /nfs/dbraw/zinc/62/79/13/821627913.db2.gz GVBGAKRMSGPNAT-CYBMUJFWSA-N 2 0 255.406 0.639 50 0 CCAARP C[C@](O)(C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1)C(F)(F)F ZINC000380765180 849691126 /nfs/dbraw/zinc/69/11/26/849691126.db2.gz QKZXSLFKVHZXSP-ONGXEEELSA-N 2 0 297.321 0.087 50 0 CCAARP C[C@@](O)(C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1)C(F)(F)F ZINC000380765177 849691647 /nfs/dbraw/zinc/69/16/47/849691647.db2.gz QKZXSLFKVHZXSP-MWLCHTKSSA-N 2 0 297.321 0.087 50 0 CCAARP C[NH+]1CCC2(CC1)CC[N@H+](CCc1cn[nH]c1)C[C@H]2CO ZINC000097775817 349648079 /nfs/dbraw/zinc/64/80/79/349648079.db2.gz SOAAMEOXXDEYNB-HNNXBMFYSA-N 2 0 292.427 0.978 50 0 CCAARP Cc1nc[nH]c1C[NH+]1CCC2(CC1)C[N@@H+](C)CCN2C ZINC000067774117 348785309 /nfs/dbraw/zinc/78/53/09/348785309.db2.gz PXVXPXQWXQWRBX-UHFFFAOYSA-N 2 0 277.416 0.930 50 0 CCAARP CN1CC[N@H+](C)C[C@H]1CNC(=[NH2+])NCc1ccccc1 ZINC000069736858 348858227 /nfs/dbraw/zinc/85/82/27/348858227.db2.gz HVWPOXIPMNFIRI-CQSZACIVSA-N 2 0 275.400 0.546 50 0 CCAARP CC[C@@H](C)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000069971620 348867707 /nfs/dbraw/zinc/86/77/07/348867707.db2.gz LBAOUEPJMNHXIY-GFCCVEGCSA-N 2 0 258.410 0.920 50 0 CCAARP C[C@@H](C(=O)NC[C@@](C)(O)C[NH+](C)C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000230178009 352106210 /nfs/dbraw/zinc/10/62/10/352106210.db2.gz HQQGTCRYFWFNNO-SFDCQRBFSA-N 2 0 285.432 0.677 50 0 CCAARP CC(C)NC(=O)C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000069901412 388952671 /nfs/dbraw/zinc/95/26/71/388952671.db2.gz GULUOWJNXMIXFP-CYBMUJFWSA-N 2 0 285.432 0.536 50 0 CCAARP C[C@H]1CN(C(=O)c2ccc3c(c2)CC[NH2+]CC3)CC[NH2+]1 ZINC000295080426 388993599 /nfs/dbraw/zinc/99/35/99/388993599.db2.gz RZTMTFOZNBFECI-LBPRGKRZSA-N 2 0 273.380 0.809 50 0 CCAARP C[NH2+][C@H]1CCCN(C(=O)C2([NH3+])Cc3ccccc3C2)C1 ZINC000133154281 389231797 /nfs/dbraw/zinc/23/17/97/389231797.db2.gz VRKSMMWKGJVAPF-AWEZNQCLSA-N 2 0 273.380 0.693 50 0 CCAARP Cc1csc(CCC[NH2+]C[C@@]2(O)CC[NH2+]C2)n1 ZINC000077318902 177252035 /nfs/dbraw/zinc/25/20/35/177252035.db2.gz ZPXIZGZVNCPMRP-LBPRGKRZSA-N 2 0 255.387 0.698 50 0 CCAARP O=C(C[NH+]1CCCCCCC1)NC[C@@H]1CC[NH2+]C[C@H]1O ZINC000534580770 328311490 /nfs/dbraw/zinc/31/14/90/328311490.db2.gz DHHWIJLRJNRGFG-UONOGXRCSA-N 2 0 283.416 0.339 50 0 CCAARP COCCCC1CC[NH+](CC(=O)N2CC[NH2+]CC2)CC1 ZINC000670453650 545236143 /nfs/dbraw/zinc/23/61/43/545236143.db2.gz HRDQNVOYBJWMOP-UHFFFAOYSA-N 2 0 283.416 0.557 50 0 CCAARP [NH3+][C@@H]1CC[NH2+][C@H]([C@@H]2CC[C@@H](C(F)(F)F)NC2)C1 ZINC000757215659 581689057 /nfs/dbraw/zinc/68/90/57/581689057.db2.gz WOHMZBZVPKGQFU-IMSYWVGJSA-N 2 0 251.296 0.996 50 0 CCAARP C[C@@H](C(=O)N(C)CCCc1nccn1C)[NH+](C)C ZINC000426420118 812796990 /nfs/dbraw/zinc/79/69/90/812796990.db2.gz NYLHTTVSMHZFEP-NSHDSACASA-N 2 0 252.362 0.761 50 0 CCAARP Cc1ncc(CO)c(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])c1O ZINC000426425513 812797438 /nfs/dbraw/zinc/79/74/38/812797438.db2.gz VECHYZJOBWVSGO-GNXNZQSNSA-N 2 0 277.368 0.757 50 0 CCAARP CN1CCC(CNC(=O)C[C@@H]2CCOC2)([NH+](C)C)CC1 ZINC000823759396 821534583 /nfs/dbraw/zinc/53/45/83/821534583.db2.gz DOIPBTFTSCUMKU-ZDUSSCGKSA-N 2 0 283.416 0.555 50 0 CCAARP CC(C)(C(=O)NC[C@]1(O)CCC[NH2+]C1)[NH+]1CCCC1 ZINC000827635491 821685195 /nfs/dbraw/zinc/68/51/95/821685195.db2.gz GVPVGNDXZLUVBH-AWEZNQCLSA-N 2 0 269.389 0.092 50 0 CCAARP [NH3+]C[C@H](NC(=O)C[C@@H]1COCC[NH2+]1)C1CCCCC1 ZINC000262242158 137032996 /nfs/dbraw/zinc/03/29/96/137032996.db2.gz RPZXNJWHKWIYRK-OLZOCXBDSA-N 2 0 269.389 0.389 50 0 CCAARP COc1ccc(CNC(=[NH2+])NC(N)=[NH2+])cc1Cl ZINC000000346291 347944935 /nfs/dbraw/zinc/94/49/35/347944935.db2.gz NZMSCKMDSMLFNW-UHFFFAOYSA-N 2 0 255.709 0.856 50 0 CCAARP Cc1cc(N(C)C)nc(N2CCO[C@@H](C[NH+](C)C)C2)[nH+]1 ZINC000069922871 348867100 /nfs/dbraw/zinc/86/71/00/348867100.db2.gz ASOHPWKWJHRYSJ-LBPRGKRZSA-N 2 0 279.388 0.618 50 0 CCAARP C[NH+](C)CCOC1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC000072280925 348919059 /nfs/dbraw/zinc/91/90/59/348919059.db2.gz VCWYQTYLPPKKRC-AWEZNQCLSA-N 2 0 296.415 0.287 50 0 CCAARP C[NH2+]CC(=O)N1CCC[C@H]([NH2+]Cc2ccccc2)C1 ZINC000225635243 352010044 /nfs/dbraw/zinc/01/00/44/352010044.db2.gz FYIPAAWUUBWPOR-AWEZNQCLSA-N 2 0 261.369 0.987 50 0 CCAARP CN(CC(=O)NC[C@@]1(O)CC[NH2+]C1)Cc1ccc(F)cc1 ZINC000244787893 352313568 /nfs/dbraw/zinc/31/35/68/352313568.db2.gz QFSCLMIDAGJEKJ-OAHLLOKOSA-N 2 0 295.358 0.098 50 0 CCAARP CCO[C@H]1C[N@H+](CC)C[C@@H]1NC(=O)CC1CC[NH2+]CC1 ZINC000584893636 359234041 /nfs/dbraw/zinc/23/40/41/359234041.db2.gz IPLTWPOQZGEAKK-KBPBESRZSA-N 2 0 283.416 0.602 50 0 CCAARP CCNC(=O)CC[N@@H+]1CCC2(CC[NH+](C)CC2)[C@@H](CO)C1 ZINC000097694740 389067838 /nfs/dbraw/zinc/06/78/38/389067838.db2.gz DAHANNMYVARVQB-CQSZACIVSA-N 2 0 297.443 0.539 50 0 CCAARP COCC[NH+]1CCC(CN2C(=O)CC[C@H]2CC[NH3+])CC1 ZINC000526056011 390674635 /nfs/dbraw/zinc/67/46/35/390674635.db2.gz VWYBPTWMTIMJOR-AWEZNQCLSA-N 2 0 283.416 0.685 50 0 CCAARP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)CC[NH3+])C[C@@H](C)O1 ZINC000237509538 297013675 /nfs/dbraw/zinc/01/36/75/297013675.db2.gz GWECDHHUUJRMAP-UPJWGTAASA-N 2 0 269.389 0.435 50 0 CCAARP NC(=O)[C@@H]1CCC[N@H+](Cc2ccc3c(c2)C[NH2+]CCO3)C1 ZINC000299789927 295107967 /nfs/dbraw/zinc/10/79/67/295107967.db2.gz ASWSWSHCXJFDAI-CYBMUJFWSA-N 2 0 289.379 0.866 50 0 CCAARP O=C(C[C@@H]1C[NH2+]CCO1)N1CCC([NH+]2CCCC2)CC1 ZINC000091309790 295537311 /nfs/dbraw/zinc/53/73/11/295537311.db2.gz OQMDLLMVLPRZIJ-CQSZACIVSA-N 2 0 281.400 0.452 50 0 CCAARP Cc1ccc(CN(C)CC(=O)N[C@@H]2CC[NH2+]C[C@H]2O)cc1 ZINC000534658111 328341047 /nfs/dbraw/zinc/34/10/47/328341047.db2.gz FBKWXSYLCCXHJZ-HUUCEWRRSA-N 2 0 291.395 0.266 50 0 CCAARP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@H]2CC[C@@H](C1)[C@H]2[NH3+] ZINC000534676222 328351804 /nfs/dbraw/zinc/35/18/04/328351804.db2.gz TWYODHPAQWYGHW-MQYQWHSLSA-N 2 0 281.400 0.150 50 0 CCAARP C[C@H](CN1CC[NH+](C)CC1)[NH2+]CCCn1ccccc1=O ZINC000670442557 545235320 /nfs/dbraw/zinc/23/53/20/545235320.db2.gz TUWUTOSTOTYWNU-OAHLLOKOSA-N 2 0 292.427 0.464 50 0 CCAARP [NH3+][C@@H](CO)C(=O)NC1(C[NH+]2CCCCC2)CCCCC1 ZINC000670468726 545237124 /nfs/dbraw/zinc/23/71/24/545237124.db2.gz UKEXGOAEKXCASQ-ZDUSSCGKSA-N 2 0 283.416 0.611 50 0 CCAARP CS(=O)(=O)Nc1ccc([C@@H]2C[NH2+]C[C@@H]([NH3+])C2)cc1 ZINC000757216234 581698923 /nfs/dbraw/zinc/69/89/23/581698923.db2.gz ZGTPKLKJOABJCW-QWRGUYRKSA-N 2 0 269.370 0.462 50 0 CCAARP C[NH2+]C[C@@H](O)CN(C)C[C@H](O)COc1ccc(C)cc1C ZINC000034132831 818132533 /nfs/dbraw/zinc/13/25/33/818132533.db2.gz FSDQDNNSFMEJJO-CABCVRRESA-N 2 0 296.411 0.555 50 0 CCAARP CN1CCC([N@H+]2C[C@@H]3C[C@H](O)[C@@H](O)C[C@@H]3C2)CC1 ZINC000823762228 821534856 /nfs/dbraw/zinc/53/48/56/821534856.db2.gz GOJGAKXAPDLXGO-XCCSTKFXSA-N 2 0 254.374 0.144 50 0 CCAARP C[NH+](C)[C@H]1CN(C(=O)CCC[NH+]2CCCCCC2)C[C@@H]1O ZINC000823730172 821536354 /nfs/dbraw/zinc/53/63/54/821536354.db2.gz RDZRZXWLTPFKBL-GJZGRUSLSA-N 2 0 297.443 0.776 50 0 CCAARP C[N@@H+]1CCOC[C@@H](CNC(=O)CC2CC[NH2+]CC2)C1 ZINC000823801224 821541048 /nfs/dbraw/zinc/54/10/48/821541048.db2.gz PRLHMXXULRWIPA-ZDUSSCGKSA-N 2 0 269.389 0.071 50 0 CCAARP [NH3+][C@H](CO)C(=O)NCCCC[NH+]1CCCCCC1 ZINC000828793342 821837821 /nfs/dbraw/zinc/83/78/21/821837821.db2.gz IMKMCKWACVWPSK-GFCCVEGCSA-N 2 0 257.378 0.078 50 0 CCAARP C[NH+]1CCC2(CC1)CC[N@H+](CCc1cn[nH]c1)C[C@@H]2CO ZINC000097775815 349647813 /nfs/dbraw/zinc/64/78/13/349647813.db2.gz SOAAMEOXXDEYNB-OAHLLOKOSA-N 2 0 292.427 0.978 50 0 CCAARP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)Cn2cccn2)CC1 ZINC000069368472 348842690 /nfs/dbraw/zinc/84/26/90/348842690.db2.gz VYTOAOQTYNGBEM-ZDUSSCGKSA-N 2 0 293.415 0.462 50 0 CCAARP [NH3+]Cc1cn([C@@H]2c3ccccc3C3(CC[NH2+]CC3)[C@H]2O)nn1 ZINC000072168643 348915739 /nfs/dbraw/zinc/91/57/39/348915739.db2.gz RNTCXEBTEFAMDX-CABCVRRESA-N 2 0 299.378 0.322 50 0 CCAARP COC[C@H](C)Nc1cc(C2CC([NH3+])C2)nc(N)n1 ZINC000219903844 351970693 /nfs/dbraw/zinc/97/06/93/351970693.db2.gz SJAFBTINSFILSX-UEJVZZJDSA-N 2 0 251.334 0.710 50 0 CCAARP C[NH2+]C[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC000237173150 352249332 /nfs/dbraw/zinc/24/93/32/352249332.db2.gz RNGCSZNATFOLTQ-STQMWFEESA-N 2 0 253.390 0.929 50 0 CCAARP COCC[NH+]1CCC(C(=O)N(C)CC[NH+]2CCCC2)CC1 ZINC000584895202 359235613 /nfs/dbraw/zinc/23/56/13/359235613.db2.gz NZMVNHVCIPPUCW-UHFFFAOYSA-N 2 0 297.443 0.899 50 0 CCAARP CN1CCC[N@H+](CCn2cccn2)CC12CC[NH2+]CC2 ZINC000299775032 389042111 /nfs/dbraw/zinc/04/21/11/389042111.db2.gz JQRXEWXSEQHVOG-UHFFFAOYSA-N 2 0 277.416 0.643 50 0 CCAARP Cn1ccnc1SCC[NH2+]C[C@@]1(O)CCC[NH2+]C1 ZINC000077505284 177276033 /nfs/dbraw/zinc/27/60/33/177276033.db2.gz HCYNJHJETUWMHB-GFCCVEGCSA-N 2 0 270.402 0.216 50 0 CCAARP CC(C)C[N@@H+]1CCCN(C(=O)c2cn(CC[NH3+])nn2)CC1 ZINC000071750058 277389824 /nfs/dbraw/zinc/38/98/24/277389824.db2.gz GTWIGWOLLYVFJD-UHFFFAOYSA-N 2 0 294.403 0.041 50 0 CCAARP COCC[NH+]1CCC([C@@H]2[NH2+]CCc3nc[nH]c32)CC1 ZINC000065507841 277514996 /nfs/dbraw/zinc/51/49/96/277514996.db2.gz RHOQKOMSOQQCPH-ZDUSSCGKSA-N 2 0 264.373 0.955 50 0 CCAARP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000227456700 297094277 /nfs/dbraw/zinc/09/42/77/297094277.db2.gz WDMNDMRHRHHEJI-FDYHWXHSSA-N 2 0 251.374 0.809 50 0 CCAARP O[C@H]1C[C@H]([C@H]([NH2+]C2CCOCC2)C2CC[NH2+]CC2)C1 ZINC000244574789 304842703 /nfs/dbraw/zinc/84/27/03/304842703.db2.gz CRLLCFQQLQXTOB-BPLDGKMQSA-N 2 0 268.401 0.894 50 0 CCAARP CC[C@@H](O)C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000071909517 327106240 /nfs/dbraw/zinc/10/62/40/327106240.db2.gz JQHOFQDMKZKVLL-HUUCEWRRSA-N 2 0 269.433 0.859 50 0 CCAARP CC(C)(C)n1nccc1[C@H]([NH3+])C1(O)CC[NH2+]CC1 ZINC000958528434 614065678 /nfs/dbraw/zinc/06/56/78/614065678.db2.gz RUJZVIHDOFYIJO-NSHDSACASA-N 2 0 252.362 0.752 50 0 CCAARP CCc1nccn1C[C@H](C)[NH2+]CCN1CC[NH2+]CC1 ZINC000426530942 812841831 /nfs/dbraw/zinc/84/18/31/812841831.db2.gz RRQUQXLXYGZXJZ-ZDUSSCGKSA-N 2 0 265.405 0.329 50 0 CCAARP C[C@H](Cn1ccnc1)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000823761182 821534403 /nfs/dbraw/zinc/53/44/03/821534403.db2.gz QWPWKNHSIFFDJZ-GFCCVEGCSA-N 2 0 252.362 0.318 50 0 CCAARP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]CC1(CO)CCCC1 ZINC000828686775 821804146 /nfs/dbraw/zinc/80/41/46/821804146.db2.gz UWSYDRLDAUMDRK-AWEZNQCLSA-N 2 0 269.433 0.765 50 0 CCAARP C[NH+]1CCN(c2ccc(NC(=O)CC[NH3+])cn2)CC1 ZINC000031962737 348129627 /nfs/dbraw/zinc/12/96/27/348129627.db2.gz JPQZLQYUBOETOB-UHFFFAOYSA-N 2 0 263.345 0.121 50 0 CCAARP C[C@@H](O)C[NH+]1CCN(C[C@H](O)C[NH+]2CCC(C)CC2)CC1 ZINC000069968332 348868173 /nfs/dbraw/zinc/86/81/73/348868173.db2.gz XFLYNNSUXXFBEO-HZPDHXFCSA-N 2 0 299.459 0.078 50 0 CCAARP CC[NH+]1CCC(NC(=O)C[NH2+]CCn2cccn2)CC1 ZINC000072267813 348917645 /nfs/dbraw/zinc/91/76/45/348917645.db2.gz RELOZSPIOJOCNP-UHFFFAOYSA-N 2 0 279.388 0.073 50 0 CCAARP COCC[N@@H+]1CC[C@@H](CN(C)C(=O)C[NH+]2CCCC2)C1 ZINC000584899998 359240498 /nfs/dbraw/zinc/24/04/98/359240498.db2.gz ZOHQNHQJDYPSJK-AWEZNQCLSA-N 2 0 283.416 0.509 50 0 CCAARP C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000178408797 189113830 /nfs/dbraw/zinc/11/38/30/189113830.db2.gz UMHXWZMTSYYSBF-WFASDCNBSA-N 2 0 273.380 0.769 50 0 CCAARP CN1CC[NH+](C2CCN(C3CC[NH2+]CC3)CC2)CC1 ZINC000072099160 388960131 /nfs/dbraw/zinc/96/01/31/388960131.db2.gz VVNRVKMOTTTYKS-UHFFFAOYSA-N 2 0 266.433 0.450 50 0 CCAARP Cc1cc(C)n(CC2(C[NH2+]C[C@@]3(O)CC[NH2+]C3)CC2)n1 ZINC000077470454 388989442 /nfs/dbraw/zinc/98/94/42/388989442.db2.gz BQPNBPMQLKWEDF-OAHLLOKOSA-N 2 0 278.400 0.594 50 0 CCAARP [NH3+][C@H]1CC[C@@H](CN2CCO[C@]3(C2)C[NH2+]CCOC3)CC1 ZINC000244691584 389204295 /nfs/dbraw/zinc/20/42/95/389204295.db2.gz JFIXZGXGOBCKGX-ZNMIVQPWSA-N 2 0 283.416 0.195 50 0 CCAARP COC[C@H](O)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000245343874 389205154 /nfs/dbraw/zinc/20/51/54/389205154.db2.gz WFRGQZLJJAJBRL-YIYPIFLZSA-N 2 0 254.374 0.410 50 0 CCAARP CC[N@@H+]1CCC[C@@H](C(=O)NCCc2ncc[nH]2)C1 ZINC000426697307 389676756 /nfs/dbraw/zinc/67/67/56/389676756.db2.gz IDQOAIDYGUWSCQ-LLVKDONJSA-N 2 0 250.346 0.800 50 0 CCAARP C[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)[C@H]1C[NH3+] ZINC000156956011 287328072 /nfs/dbraw/zinc/32/80/72/287328072.db2.gz LSNLAMFYNNCNIW-YPMHNXCESA-N 2 0 253.390 0.914 50 0 CCAARP O=C(C[NH+]1CCC2(CC1)C[NH2+]CCO2)N1CCCCCC1 ZINC000534652315 328337923 /nfs/dbraw/zinc/33/79/23/328337923.db2.gz YWKFTMOLWAJDNB-UHFFFAOYSA-N 2 0 295.427 0.843 50 0 CCAARP C[NH+](C)C[C@@H]1COCCN(C(=O)C[NH+]2CCCCCC2)C1 ZINC000670465600 545236982 /nfs/dbraw/zinc/23/69/82/545236982.db2.gz SECDYLLMVNVUBD-HNNXBMFYSA-N 2 0 297.443 0.899 50 0 CCAARP CC(C)(C)n1nccc1[C@@H]([NH3+])C1(O)CC[NH2+]CC1 ZINC000958528430 614065550 /nfs/dbraw/zinc/06/55/50/614065550.db2.gz RUJZVIHDOFYIJO-LLVKDONJSA-N 2 0 252.362 0.752 50 0 CCAARP Cn1cc(C[NH2+]CCCC[NH+]2CCC(C(N)=O)CC2)cn1 ZINC000097159102 349629611 /nfs/dbraw/zinc/62/96/11/349629611.db2.gz CVNHYVPMACVMCZ-UHFFFAOYSA-N 2 0 293.415 0.487 50 0 CCAARP C(=C/CSC1=[NH+]CCN1)\CSC1=[NH+]CCN1 ZINC000002312676 347965713 /nfs/dbraw/zinc/96/57/13/347965713.db2.gz LXEXGJOTWAGOFL-OWOJBTEDSA-N 2 0 256.400 0.927 50 0 CCAARP NC(=O)C1CC[NH+](C[C@]2(O)CCC[N@@H+]3CCCC[C@@H]32)CC1 ZINC000063848547 348695044 /nfs/dbraw/zinc/69/50/44/348695044.db2.gz WSCQYNFHURVPHT-GDBMZVCRSA-N 2 0 295.427 0.563 50 0 CCAARP CC[N@@H+]1CC[C@H](CN(C)c2ncnc3c2CC[NH2+]C3)C1 ZINC000067459656 348774625 /nfs/dbraw/zinc/77/46/25/348774625.db2.gz KYKDHNGVMXWNKC-GFCCVEGCSA-N 2 0 275.400 0.900 50 0 CCAARP O=C([C@@H]1C[NH2+]CCO1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000262641399 352588611 /nfs/dbraw/zinc/58/86/11/352588611.db2.gz KSAIENFZWKDDPJ-AWEZNQCLSA-N 2 0 281.400 0.452 50 0 CCAARP C[NH+](C)[C@H]1CN(C2CC[NH+](Cc3ccco3)CC2)C[C@@H]1O ZINC000584887990 359228166 /nfs/dbraw/zinc/22/81/66/359228166.db2.gz JKZFIALWYRMKMM-HOTGVXAUSA-N 2 0 293.411 0.851 50 0 CCAARP COCC[N@@H+]1CCC[C@H](CN(C)C(=O)C[NH+]2CCCC2)C1 ZINC000584898052 359238154 /nfs/dbraw/zinc/23/81/54/359238154.db2.gz CBCXIAPEZSLETO-OAHLLOKOSA-N 2 0 297.443 0.899 50 0 CCAARP CN1CC[N@H+](C)C[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC000584904173 359244459 /nfs/dbraw/zinc/24/44/59/359244459.db2.gz NPZUGCALXBQVJB-CQSZACIVSA-N 2 0 282.432 0.224 50 0 CCAARP O=C1NC(=O)[C@@H]2C[N@H+](C[C@@H]3CCC[NH+]4CCCC[C@H]34)C[C@H]12 ZINC000072153624 296357519 /nfs/dbraw/zinc/35/75/19/296357519.db2.gz RTZHLZMVGUVWFU-IGQOVBAYSA-N 2 0 291.395 0.455 50 0 CCAARP CC(C)(O)C[NH+]1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC000071881845 388959105 /nfs/dbraw/zinc/95/91/05/388959105.db2.gz QVYGZYLKLFJLSK-UHFFFAOYSA-N 2 0 297.443 0.778 50 0 CCAARP C[NH+](C)C[C@@H](O)CNC(=O)C1([NH+]2CCCC2)CCCC1 ZINC000534652406 328338024 /nfs/dbraw/zinc/33/80/24/328338024.db2.gz HXNPWSUJQAZRLQ-ZDUSSCGKSA-N 2 0 283.416 0.434 50 0 CCAARP O=C(C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1)N1CC[NH2+]CC1 ZINC000670446015 545235594 /nfs/dbraw/zinc/23/55/94/545235594.db2.gz QAVYKMHBGJFAKQ-GFCCVEGCSA-N 2 0 277.372 0.021 50 0 CCAARP CSc1ncc(C[NH2+][C@H](C)CN2CC[NH+](C)CC2)n1C ZINC000952970104 649613159 /nfs/dbraw/zinc/61/31/59/649613159.db2.gz HJEZQGTVKRKPIE-GFCCVEGCSA-N 2 0 297.472 0.868 50 0 CCAARP CC(=O)NCC[NH2+]C[C@]1(O)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063872266 820266662 /nfs/dbraw/zinc/26/66/62/820266662.db2.gz NOVGKOIGTBNZDU-ZIAGYGMSSA-N 2 0 269.389 0.092 50 0 CCAARP C[NH+](C)C[C@@](C)(O)c1ccc2c(c1)C[NH2+]CCO2 ZINC000299767108 282130948 /nfs/dbraw/zinc/13/09/48/282130948.db2.gz CQOHRAJIULTSLL-CQSZACIVSA-N 2 0 250.342 0.938 50 0 CCAARP [NH3+]C[C@@H]1CCCN(C(=O)C2([NH3+])Cc3ccccc3C2)C1 ZINC000097019520 185152838 /nfs/dbraw/zinc/15/28/38/185152838.db2.gz WIJDYGCNLMICOK-LBPRGKRZSA-N 2 0 273.380 0.680 50 0 CCAARP C[C@H](O)C[NH+]1CCC(C[NH2+]Cc2nnnn2C2CC2)CC1 ZINC000069846486 348863063 /nfs/dbraw/zinc/86/30/63/348863063.db2.gz RYPSHWPGJXQOEF-NSHDSACASA-N 2 0 294.403 0.190 50 0 CCAARP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]2C[NH2+]CCO2)cc1 ZINC000152004892 350516102 /nfs/dbraw/zinc/51/61/02/350516102.db2.gz LKLNWNSZDHWHBD-LSDHHAIUSA-N 2 0 291.395 0.914 50 0 CCAARP C[C@@H]1C[C@@H](N(C)C(=O)[C@]2(C)CC[NH2+]C2)CC[N@@H+]1C ZINC000299739534 354042505 /nfs/dbraw/zinc/04/25/05/354042505.db2.gz PSZWLOFMBDIYRS-MBNYWOFBSA-N 2 0 253.390 0.927 50 0 CCAARP CN(CC[NH2+]C[C@@]1(O)CCC[NH2+]C1)c1ccccc1 ZINC000072424375 388963348 /nfs/dbraw/zinc/96/33/48/388963348.db2.gz QTSGHCGXRPTMEC-OAHLLOKOSA-N 2 0 263.385 0.827 50 0 CCAARP CCNC(=O)CC[N@@H+]1CCC2(CC[NH+](C)CC2)[C@H](CO)C1 ZINC000097694738 389067963 /nfs/dbraw/zinc/06/79/63/389067963.db2.gz DAHANNMYVARVQB-AWEZNQCLSA-N 2 0 297.443 0.539 50 0 CCAARP [NH3+]Cc1cc(C(=O)N2CC[NH+](CC3CC3)CC2)ccn1 ZINC000130110344 389198460 /nfs/dbraw/zinc/19/84/60/389198460.db2.gz JHWZELJIWFSUGI-UHFFFAOYSA-N 2 0 274.368 0.708 50 0 CCAARP COCC1(CNC(=O)C23C[NH2+]CC2C[NH2+]C3)CCCC1 ZINC000065429235 292235974 /nfs/dbraw/zinc/23/59/74/292235974.db2.gz RVMATNHCHDNMGX-UHFFFAOYSA-N 2 0 281.400 0.118 50 0 CCAARP O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000238098576 304394347 /nfs/dbraw/zinc/39/43/47/304394347.db2.gz CLUQTVNEQGJUMM-KBPBESRZSA-N 2 0 281.400 0.186 50 0 CCAARP CN(CC(=O)NCCc1ncc[nH]1)Cc1ccncc1 ZINC000534668509 328346403 /nfs/dbraw/zinc/34/64/03/328346403.db2.gz FNDQLZAVOFHUMY-UHFFFAOYSA-N 2 0 273.340 0.595 50 0 CCAARP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]CCc1ncc[nH]1 ZINC000534670156 328347053 /nfs/dbraw/zinc/34/70/53/328347053.db2.gz AZGKQFHHNVFHQI-LBPRGKRZSA-N 2 0 251.378 0.178 50 0 CCAARP [NH3+][C@@H]1CC[NH2+][C@H]([C@H]2CC[C@H](C(F)(F)F)NC2)C1 ZINC000757215664 581688431 /nfs/dbraw/zinc/68/84/31/581688431.db2.gz WOHMZBZVPKGQFU-QCLAVDOMSA-N 2 0 251.296 0.996 50 0 CCAARP C[C@H](C(=O)N(C)CCCc1nccn1C)[NH+](C)C ZINC000426420117 812797605 /nfs/dbraw/zinc/79/76/05/812797605.db2.gz NYLHTTVSMHZFEP-LLVKDONJSA-N 2 0 252.362 0.761 50 0 CCAARP O=C(NCCN1CC[NH2+]CC1)C1([NH+]2CCCC2)CCCC1 ZINC000827661320 821687293 /nfs/dbraw/zinc/68/72/93/821687293.db2.gz PYBILNOQOPWDCM-UHFFFAOYSA-N 2 0 294.443 0.416 50 0 CCAARP CCc1[nH+]c(N)nc(N2C[C@H](O)[C@@H]([NH+]3CCCC3)C2)c1C ZINC000095357750 349602884 /nfs/dbraw/zinc/60/28/84/349602884.db2.gz ZKWXEUZOCPRTNM-STQMWFEESA-N 2 0 291.399 0.575 50 0 CCAARP Cc1[nH+]c(N(C)C)nc(NC[C@@H]2C[NH2+]CCO2)c1C ZINC000065410320 348714416 /nfs/dbraw/zinc/71/44/16/348714416.db2.gz BQFKVNVYGNLOBP-NSHDSACASA-N 2 0 265.361 0.560 50 0 CCAARP C[N@@H+]1CC[C@](C)(C[NH2+]C2CCN(S(C)(=O)=O)CC2)C1 ZINC000067872181 283163518 /nfs/dbraw/zinc/16/35/18/283163518.db2.gz XZCPRZBAWWHFLN-CYBMUJFWSA-N 2 0 289.445 0.342 50 0 CCAARP C[NH+](C)CC1(CO)CC[NH+]([C@@H]2CCCOC2)CC1 ZINC000584900893 359241859 /nfs/dbraw/zinc/24/18/59/359241859.db2.gz OFROZKOBNKIWBC-CYBMUJFWSA-N 2 0 256.390 0.802 50 0 CCAARP [NH3+]CCc1ccc(OCCN2CC[NH+](CCO)CC2)cc1 ZINC000036128328 388838958 /nfs/dbraw/zinc/83/89/58/388838958.db2.gz CPDGMVWFOFIHHD-UHFFFAOYSA-N 2 0 293.411 0.177 50 0 CCAARP Cn1ccnc1CCC[N@H+](C)C[C@@]1(O)CCC[NH2+]C1 ZINC000072479275 388965709 /nfs/dbraw/zinc/96/57/09/388965709.db2.gz HMCMFLZSXLZSEH-CQSZACIVSA-N 2 0 266.389 0.399 50 0 CCAARP CN(C1CC[NH+](C)CC1)S(=O)(=O)C1CC[NH2+]CC1 ZINC000040449865 174265784 /nfs/dbraw/zinc/26/57/84/174265784.db2.gz NTYPNOSMKBGZMP-UHFFFAOYSA-N 2 0 275.418 0.094 50 0 CCAARP [NH3+][C@@H](C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2)C1CCC1 ZINC000333319218 279665834 /nfs/dbraw/zinc/66/58/34/279665834.db2.gz UCROUKWASJUURR-SMDDNHRTSA-N 2 0 274.368 0.964 50 0 CCAARP CC[NH+]1CCN(CC(=O)N2CC([NH+]3CCCCC3)C2)CC1 ZINC000952981887 615154619 /nfs/dbraw/zinc/15/46/19/615154619.db2.gz JBDNGXWFFLTSJK-UHFFFAOYSA-N 2 0 294.443 0.321 50 0 CCAARP C[N@@H+]1CC[C@](C)(C(=O)NCC2CC[NH+](CCCO)CC2)C1 ZINC000828752927 821829139 /nfs/dbraw/zinc/82/91/39/821829139.db2.gz RFKIURWRORNBJH-INIZCTEOSA-N 2 0 297.443 0.539 50 0 CCAARP NC(=[NH2+])NCCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000020857136 348078673 /nfs/dbraw/zinc/07/86/73/348078673.db2.gz ABKYRRRXTXZZBM-UHFFFAOYSA-N 2 0 279.363 0.821 50 0 CCAARP C[C@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)[C@H](C)n1cccn1 ZINC000070018095 348869471 /nfs/dbraw/zinc/86/94/71/348869471.db2.gz NQVSQZYDAMLVTG-KKUMJFAQSA-N 2 0 295.431 0.031 50 0 CCAARP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc[nH]n1 ZINC000125588118 350125143 /nfs/dbraw/zinc/12/51/43/350125143.db2.gz QCIMZMGNVFTEPG-CYBMUJFWSA-N 2 0 293.415 0.898 50 0 CCAARP Nc1cc(N2CC[N@H+](Cc3ccccc3)C[C@H](O)C2)ncn1 ZINC000108276088 186209695 /nfs/dbraw/zinc/20/96/95/186209695.db2.gz NAJUSJMTIFHUMZ-AWEZNQCLSA-N 2 0 299.378 0.742 50 0 CCAARP C[NH2+]C[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC000237291614 352259255 /nfs/dbraw/zinc/25/92/55/352259255.db2.gz RNGCSZNATFOLTQ-QWHCGFSZSA-N 2 0 253.390 0.929 50 0 CCAARP COCC[N@@H+]1CC[C@H](C(=O)NCCn2cnc(C)c2C)C1 ZINC000244724061 352311937 /nfs/dbraw/zinc/31/19/37/352311937.db2.gz MMWRNLSBOCMWHR-AWEZNQCLSA-N 2 0 294.399 0.584 50 0 CCAARP CC(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2C[NH2+]CCO2)cc1 ZINC000152004830 187991757 /nfs/dbraw/zinc/99/17/57/187991757.db2.gz LKLNWNSZDHWHBD-HUUCEWRRSA-N 2 0 291.395 0.914 50 0 CCAARP C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C[NH3+])c2ccccc2)C1 ZINC000178596263 189129586 /nfs/dbraw/zinc/12/95/86/189129586.db2.gz MKMZPLLHFPVRNA-KGLIPLIRSA-N 2 0 261.369 0.939 50 0 CCAARP COC[C@H](O)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000096421815 389061190 /nfs/dbraw/zinc/06/11/90/389061190.db2.gz WFRGQZLJJAJBRL-AAVRWANBSA-N 2 0 254.374 0.410 50 0 CCAARP CC(C)[C@H]([NH3+])C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000195554225 389128781 /nfs/dbraw/zinc/12/87/81/389128781.db2.gz XNRAWGCCVWZPCD-GJZGRUSLSA-N 2 0 296.459 0.598 50 0 CCAARP C[N@H+](CCCN1CCCC1=O)CC1CC[NH+](CCO)CC1 ZINC000071871569 176283727 /nfs/dbraw/zinc/28/37/27/176283727.db2.gz KOFJYQAAMUHZCZ-UHFFFAOYSA-N 2 0 297.443 0.635 50 0 CCAARP O=C([C@@H]1C[NH2+]CCO1)N1CCC[N@@H+](C2CCCCC2)CC1 ZINC000534637670 328334196 /nfs/dbraw/zinc/33/41/96/328334196.db2.gz SXEDWZONHWBSHJ-HNNXBMFYSA-N 2 0 295.427 0.842 50 0 CCAARP [NH3+][C@@H]1C[NH2+]CC[C@@H]1[C@@H]1CC[C@@H](C(F)(F)F)NC1 ZINC000757215685 581699047 /nfs/dbraw/zinc/69/90/47/581699047.db2.gz WYYGDDNDDMKZKV-KYXWUPHJSA-N 2 0 251.296 0.854 50 0 CCAARP O=C([C@@H]1[NH2+]CC12CCCC2)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000888101876 631295531 /nfs/dbraw/zinc/29/55/31/631295531.db2.gz QHCYVFGKOUTWCR-JSGCOSHPSA-N 2 0 263.385 0.731 50 0 CCAARP CN(C(=O)[C@@H]1C[NH2+]CCO1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000827868378 821701614 /nfs/dbraw/zinc/70/16/14/821701614.db2.gz ZCKFIYWWTFPQGD-LBPRGKRZSA-N 2 0 283.416 0.742 50 0 CCAARP O=C1CC[C@@H]([NH2+]C2CC[NH+](C3CCOCC3)CC2)CCN1 ZINC000828305394 821757102 /nfs/dbraw/zinc/75/71/02/821757102.db2.gz LATTVMCZWJMCJZ-CYBMUJFWSA-N 2 0 295.427 0.888 50 0 CCAARP CC[C@H](O)C[N@H+](C)CC1CC[NH+](CC(=O)NC)CC1 ZINC000253433306 352535531 /nfs/dbraw/zinc/53/55/31/352535531.db2.gz VKIJDDATXOZTMF-ZDUSSCGKSA-N 2 0 271.405 0.147 50 0 CCAARP [NH3+]CCN(CCc1ccccc1)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000261760528 137018562 /nfs/dbraw/zinc/01/85/62/137018562.db2.gz QFVAVYQQDIGBRX-AWEZNQCLSA-N 2 0 277.368 0.005 50 0 CCAARP [NH3+]CC[C@@H]1CN(CCn2cc(Cl)cn2)CCO1 ZINC000252500822 352517156 /nfs/dbraw/zinc/51/71/56/352517156.db2.gz TVXFCCJSRZAHFL-LLVKDONJSA-N 2 0 258.753 0.586 50 0 CCAARP O[C@]1(C[NH2+]CCSc2ccccn2)CCC[NH2+]C1 ZINC000072418432 388962508 /nfs/dbraw/zinc/96/25/08/388962508.db2.gz GIZCIAYIMXKTQY-CYBMUJFWSA-N 2 0 267.398 0.878 50 0 CCAARP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCC(=O)N(C)C)CC1 ZINC000069917491 388952619 /nfs/dbraw/zinc/95/26/19/388952619.db2.gz SJTJHUDCQQHZGC-ZDUSSCGKSA-N 2 0 285.432 0.489 50 0 CCAARP CC(C)NC(=O)C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000069901414 388952845 /nfs/dbraw/zinc/95/28/45/388952845.db2.gz GULUOWJNXMIXFP-ZDUSSCGKSA-N 2 0 285.432 0.536 50 0 CCAARP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]2C[NH3+])C1 ZINC000299739118 389042325 /nfs/dbraw/zinc/04/23/25/389042325.db2.gz KSIDLGKATNSHHP-STQMWFEESA-N 2 0 253.390 0.914 50 0 CCAARP C[C@H]1CN(C(=O)C2([NH3+])Cc3ccccc3C2)CC[NH2+]1 ZINC000299740137 300111243 /nfs/dbraw/zinc/11/12/43/300111243.db2.gz WETDNDOKZQWBCF-NSHDSACASA-N 2 0 259.353 0.303 50 0 CCAARP COCc1noc(CN[C@H](C)Cn2ccnc2)n1 ZINC000534659662 328342263 /nfs/dbraw/zinc/34/22/63/328342263.db2.gz ORQPPOQQONWLLJ-SECBINFHSA-N 2 0 251.290 0.591 50 0 CCAARP CC[C@@H]1CCCC[N@@H+]1CC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000670455072 545236366 /nfs/dbraw/zinc/23/63/66/545236366.db2.gz VSQRWUGFDGHWAF-CQSZACIVSA-N 2 0 297.443 0.824 50 0 CCAARP C[NH+](C)CC1(O)CCN(C(=O)[C@@H]([NH3+])C2CCCCC2)CC1 ZINC000952965675 615872263 /nfs/dbraw/zinc/87/22/63/615872263.db2.gz QXPJHDWALNTWDB-AWEZNQCLSA-N 2 0 297.443 0.809 50 0 CCAARP CCOC(=O)N1CC[C@H]([NH+]2CCC3(CC2)C[NH2+]CCO3)C1 ZINC000426399192 812771338 /nfs/dbraw/zinc/77/13/38/812771338.db2.gz JDGJFRLYSIJERT-ZDUSSCGKSA-N 2 0 297.399 0.672 50 0 CCAARP C[C@@H](CS(C)(=O)=O)[NH2+]CC1(N(C)C)CC[NH+](C)CC1 ZINC000823759460 821535467 /nfs/dbraw/zinc/53/54/67/821535467.db2.gz JRYPNKSLOZBABP-LBPRGKRZSA-N 2 0 291.461 0.035 50 0 CCAARP CC[N@@H+]1C[C@H](NC(=O)CC2CC[NH2+]CC2)[C@@H](OC)C1 ZINC000824504727 821633918 /nfs/dbraw/zinc/63/39/18/821633918.db2.gz ITCCKLWXLYGESQ-STQMWFEESA-N 2 0 269.389 0.211 50 0 CCAARP NC(=[NH2+])SCCOCCOCCSC(N)=[NH2+] ZINC000004397816 347994590 /nfs/dbraw/zinc/99/45/90/347994590.db2.gz OOQSNYFIARLWEP-UHFFFAOYSA-N 2 0 266.392 0.273 50 0 CCAARP CCC[NH+]1CCN(c2ncc3c(n2)CC[NH2+]C3)CC1 ZINC000021166442 348078528 /nfs/dbraw/zinc/07/85/28/348078528.db2.gz MWSXLHDEATVLQS-UHFFFAOYSA-N 2 0 261.373 0.654 50 0 CCAARP [NH3+][C@@H]1CC[C@@H]([NH2+]C2CCN(C(=O)c3cnccn3)CC2)C1 ZINC000082157345 349291742 /nfs/dbraw/zinc/29/17/42/349291742.db2.gz FMGALIWSOFBDCE-DGCLKSJQSA-N 2 0 289.383 0.551 50 0 CCAARP CC[N@@H+]1CC[C@@H]([NH+](C)CCn2cncn2)[C@@H](C)C1 ZINC000229859181 352097811 /nfs/dbraw/zinc/09/78/11/352097811.db2.gz VINIXQAKHNTVQY-QWHCGFSZSA-N 2 0 251.378 0.940 50 0 CCAARP O=C(C[NH+]1CCCCCC1)N1C[C@H](O)[C@@H]([NH+]2CCCC2)C1 ZINC000584884742 359223743 /nfs/dbraw/zinc/22/37/43/359223743.db2.gz UZHCVLHDOWBGER-GJZGRUSLSA-N 2 0 295.427 0.530 50 0 CCAARP CC[NH+](CC)CC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000096407859 389059476 /nfs/dbraw/zinc/05/94/76/389059476.db2.gz JPMYYPXRWRQFPF-CQSZACIVSA-N 2 0 285.432 0.537 50 0 CCAARP [NH3+]CCOc1ccc(F)cc1C(=O)NCCn1ccnc1 ZINC000426734531 389677541 /nfs/dbraw/zinc/67/75/41/389677541.db2.gz QJUUUZHYDHDZIE-UHFFFAOYSA-N 2 0 292.314 0.790 50 0 CCAARP COCC[NH+]1CCC(CN2C(=O)CC[C@@H]2CC[NH3+])CC1 ZINC000526056012 390674531 /nfs/dbraw/zinc/67/45/31/390674531.db2.gz VWYBPTWMTIMJOR-CQSZACIVSA-N 2 0 283.416 0.685 50 0 CCAARP C[NH+](C)[C@H]1CCN(Cc2cc3n(n2)CCC[NH2+]C3)C1 ZINC000072153658 176327702 /nfs/dbraw/zinc/32/77/02/176327702.db2.gz ZBKPZGCHKLLZLW-ZDUSSCGKSA-N 2 0 263.389 0.512 50 0 CCAARP O[C@@]1(C[NH2+]CCCn2nnc3ccccc32)CC[NH2+]C1 ZINC000077340162 177254223 /nfs/dbraw/zinc/25/42/23/177254223.db2.gz JKPLKKFRASBNDZ-CQSZACIVSA-N 2 0 275.356 0.135 50 0 CCAARP O[C@@]1(C[NH2+]CCCN2CCc3ccccc32)CC[NH2+]C1 ZINC000077505812 177276042 /nfs/dbraw/zinc/27/60/42/177276042.db2.gz YDJSUPKTMIBUNR-MRXNPFEDSA-N 2 0 275.396 0.753 50 0 CCAARP CC[C@@H](C(=O)NCC[NH+]1CCC(OC)CC1)[NH+](C)C ZINC000084718729 544492530 /nfs/dbraw/zinc/49/25/30/544492530.db2.gz BGMNUVSLHVNYJG-ZDUSSCGKSA-N 2 0 271.405 0.554 50 0 CCAARP CN(Cc1cscn1)C(=O)CN(C)C1CC[NH2+]CC1 ZINC000534639325 328335149 /nfs/dbraw/zinc/33/51/49/328335149.db2.gz KJDPGMDMQIQTMZ-UHFFFAOYSA-N 2 0 282.413 0.785 50 0 CCAARP [NH3+][C@@H]1C[NH2+]CC[C@@H]1[C@@H]1CC[C@H](C(F)(F)F)NC1 ZINC000757215688 581699254 /nfs/dbraw/zinc/69/92/54/581699254.db2.gz WYYGDDNDDMKZKV-ZYUZMQFOSA-N 2 0 251.296 0.854 50 0 CCAARP CCOC(=O)N1CC[C@@H]([NH+]2CCC3(CC2)C[NH2+]CCO3)C1 ZINC000426399191 812770710 /nfs/dbraw/zinc/77/07/10/812770710.db2.gz JDGJFRLYSIJERT-CYBMUJFWSA-N 2 0 297.399 0.672 50 0 CCAARP CN1CCC[N@@H+]([C@H]2CCOC2)CC12CC[NH2+]CC2 ZINC000426546290 812844441 /nfs/dbraw/zinc/84/44/41/812844441.db2.gz WZZXKFWXSJSRPL-ZDUSSCGKSA-N 2 0 253.390 0.535 50 0 CCAARP [NH3+]CC[C@@H]1C[N@@H+](C2CSCCSC2)CCO1 ZINC000426707190 812984821 /nfs/dbraw/zinc/98/48/21/812984821.db2.gz KYNOEBZXBVRZEP-LLVKDONJSA-N 2 0 262.444 0.885 50 0 CCAARP CCc1c(C)[nH+]c(N)nc1N[C@H]1C[N@@H+](C(C)C)C[C@@H]1O ZINC000095391373 349606968 /nfs/dbraw/zinc/60/69/68/349606968.db2.gz OESHQTDCDHNREJ-RYUDHWBXSA-N 2 0 279.388 0.795 50 0 CCAARP C[N@@H+]1CC[C@@H]2CN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)C[C@@H]21 ZINC000331473188 290163640 /nfs/dbraw/zinc/16/36/40/290163640.db2.gz WKCLCPSJHHGNOW-KXUCPTDWSA-N 2 0 294.321 0.612 50 0 CCAARP CCOC(=O)c1nn(CC[NH+](C)C)c2c1C[NH2+]CC2 ZINC000067966451 348792187 /nfs/dbraw/zinc/79/21/87/348792187.db2.gz FMYLEMQGBKXYHY-UHFFFAOYSA-N 2 0 266.345 0.267 50 0 CCAARP CC[C@H](C)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000069971623 348867951 /nfs/dbraw/zinc/86/79/51/348867951.db2.gz LBAOUEPJMNHXIY-LBPRGKRZSA-N 2 0 258.410 0.920 50 0 CCAARP C[N@@H+]1CCCN(C(=O)[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000070252174 348881584 /nfs/dbraw/zinc/88/15/84/348881584.db2.gz CVLCVHMEXQBNFP-GFCCVEGCSA-N 2 0 251.374 0.540 50 0 CCAARP C[N@@H+]1CC[C@H](C(=O)N2CC[NH+](C[C@@H](O)C(C)(C)C)CC2)C1 ZINC000075603853 349040732 /nfs/dbraw/zinc/04/07/32/349040732.db2.gz ZEABNPCPMFQIIB-UONOGXRCSA-N 2 0 297.443 0.489 50 0 CCAARP [NH3+]C1CC(c2cc(NCC[NH+]3CCC(O)CC3)ncn2)C1 ZINC000223762197 351990311 /nfs/dbraw/zinc/99/03/11/351990311.db2.gz AWLUCARANCTNEC-UHFFFAOYSA-N 2 0 291.399 0.550 50 0 CCAARP Cc1nccn1CCC[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000244900307 352315431 /nfs/dbraw/zinc/31/54/31/352315431.db2.gz ZZWQLJDACBPLFY-HNNXBMFYSA-N 2 0 277.416 0.561 50 0 CCAARP C[NH+](C)C[C@@H]1[C@H]2C[N@@H+](Cc3cnn4cccnc34)C[C@H]21 ZINC000584894268 359234330 /nfs/dbraw/zinc/23/43/30/359234330.db2.gz WNZJKPMWUSPCDP-ZSOGYDGISA-N 2 0 271.368 0.969 50 0 CCAARP C[NH2+][C@H]1CCCN(C(=O)[C@@H](C[NH3+])c2ccccc2)C1 ZINC000178596274 189129888 /nfs/dbraw/zinc/12/98/88/189129888.db2.gz MKMZPLLHFPVRNA-KBPBESRZSA-N 2 0 261.369 0.939 50 0 CCAARP O=C([C@H]1CCC[N@@H+]1C1CCOCC1)N1CC[NH2+]CC1 ZINC000040508175 296109771 /nfs/dbraw/zinc/10/97/71/296109771.db2.gz JADKYEWIWINCLD-CYBMUJFWSA-N 2 0 267.373 0.062 50 0 CCAARP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCS(C)(=O)=O)CC1 ZINC000069658859 296181877 /nfs/dbraw/zinc/18/18/77/296181877.db2.gz LEINZTQERGHSRM-GFCCVEGCSA-N 2 0 292.445 0.056 50 0 CCAARP CN(CC[NH2+]C[C@]1(O)CCC[NH2+]C1)c1ccccc1 ZINC000072424374 388963690 /nfs/dbraw/zinc/96/36/90/388963690.db2.gz QTSGHCGXRPTMEC-HNNXBMFYSA-N 2 0 263.385 0.827 50 0 CCAARP CCC[N@H+](C)CCC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000071882234 176288516 /nfs/dbraw/zinc/28/85/16/176288516.db2.gz LVQJRONKGXPULZ-UHFFFAOYSA-N 2 0 285.432 0.633 50 0 CCAARP Cc1nnnn1CCC[N@H+]1CCC[C@](O)(C[NH+](C)C)CC1 ZINC000072130875 176321874 /nfs/dbraw/zinc/32/18/74/176321874.db2.gz ANTXIQDOXOSAAM-CQSZACIVSA-N 2 0 296.419 0.150 50 0 CCAARP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)CCC[NH3+])C[C@@H](C)O1 ZINC000237509683 288201354 /nfs/dbraw/zinc/20/13/54/288201354.db2.gz IQAUSBJJLZFRLH-MGPQQGTHSA-N 2 0 283.416 0.826 50 0 CCAARP Cc1cc(N2C[C@@H]3CC[NH2+][C@@H]3C2)nc(N2CCOCC2)[nH+]1 ZINC000534645491 328330776 /nfs/dbraw/zinc/33/07/76/328330776.db2.gz YSIAAPLOSCODNG-QWHCGFSZSA-N 2 0 289.383 0.420 50 0 CCAARP O=C(C[NH+]1CCCCCCC1)NC[C@]1(O)CCC[NH2+]C1 ZINC000534648695 328343560 /nfs/dbraw/zinc/34/35/60/328343560.db2.gz QDIJFENZAMFDPM-HNNXBMFYSA-N 2 0 283.416 0.483 50 0 CCAARP Cc1cc(N2CCCN(C(=O)[C@@H]3C=CC[NH2+]3)CC2)cc[nH+]1 ZINC000534654396 328338885 /nfs/dbraw/zinc/33/88/85/328338885.db2.gz KBJDGXKQSFPECC-HNNXBMFYSA-N 2 0 286.379 0.957 50 0 CCAARP C[C@@H](Cn1ccnc1)[NH2+]CC1(CN2CC[NH+](C)CC2)CC1 ZINC000534673737 328348746 /nfs/dbraw/zinc/34/87/46/328348746.db2.gz XTEKNWAPUDHJPI-HNNXBMFYSA-N 2 0 291.443 0.889 50 0 CCAARP O=C(NCCCCC[NH+]1CCOCC1)[C@@H]1C=CC[NH2+]1 ZINC000670453842 545236101 /nfs/dbraw/zinc/23/61/01/545236101.db2.gz JRLKYHJNHAHSKW-ZDUSSCGKSA-N 2 0 267.373 0.133 50 0 CCAARP C[C@H](CN1CC[NH+](C)CC1)[NH2+]CCc1nccs1 ZINC000670472081 545237217 /nfs/dbraw/zinc/23/72/17/545237217.db2.gz HVGUWUKRGPHALU-GFCCVEGCSA-N 2 0 268.430 0.911 50 0 CCAARP C[C@@H](Cn1ccnc1)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000823761183 821534946 /nfs/dbraw/zinc/53/49/46/821534946.db2.gz QWPWKNHSIFFDJZ-LBPRGKRZSA-N 2 0 252.362 0.318 50 0 CCAARP CN(C)c1nccnc1NCC1([NH+](C)C)CCN(C)CC1 ZINC000823759411 821535136 /nfs/dbraw/zinc/53/51/36/821535136.db2.gz FZNOKZJCZGBUPY-UHFFFAOYSA-N 2 0 292.431 0.981 50 0 CCAARP COCC[N@@H+]1CC[C@@H](CNC(=O)C2([NH3+])CCCC2)C1 ZINC000824412362 821630862 /nfs/dbraw/zinc/63/08/62/821630862.db2.gz IIWXWNGRABNUFA-LBPRGKRZSA-N 2 0 269.389 0.342 50 0 CCAARP CCc1[nH+]c(N)nc(NC[C@@H](O)C[NH+](C)C)c1C ZINC000095362147 349602753 /nfs/dbraw/zinc/60/27/53/349602753.db2.gz GEXNOOUCYFWSGS-SECBINFHSA-N 2 0 253.350 0.264 50 0 CCAARP C[NH+](C)CCC[NH2+]CCCNC(=O)c1cccnc1 ZINC000001813700 347962388 /nfs/dbraw/zinc/96/23/88/347962388.db2.gz KPPFAKOQSQNCLH-UHFFFAOYSA-N 2 0 264.373 0.743 50 0 CCAARP C[NH+]1CCC2(CC1)NC(=[NH2+])Nc1nc3ccccc3n12 ZINC000016991819 348051809 /nfs/dbraw/zinc/05/18/09/348051809.db2.gz HCFJUIYGADDWKE-UHFFFAOYSA-N 2 0 270.340 0.964 50 0 CCAARP C[C@H](O)C[NH+]1CCC(C[NH2+][C@@H](C)C(=O)N2CCCC2)CC1 ZINC000069493239 348847911 /nfs/dbraw/zinc/84/79/11/348847911.db2.gz VXDPGNZVARDZGQ-KBPBESRZSA-N 2 0 297.443 0.680 50 0 CCAARP C[NH+](C)CC(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000135178654 350387164 /nfs/dbraw/zinc/38/71/64/350387164.db2.gz TUHDGOSCFDGFTE-OAHLLOKOSA-N 2 0 291.395 0.083 50 0 CCAARP C[NH+](C)Cc1cccc(CNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)c1 ZINC000164418880 350778836 /nfs/dbraw/zinc/77/88/36/350778836.db2.gz LJGMMTLBUWEQHV-KGLIPLIRSA-N 2 0 277.368 0.087 50 0 CCAARP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000236873230 352222889 /nfs/dbraw/zinc/22/28/89/352222889.db2.gz BYYFCJOPRSAGSS-XQQFMLRXSA-N 2 0 253.390 0.914 50 0 CCAARP C[C@H](O)C[NH+]1CCC(CN(C)[C@H]2C[C@H](C)OC2=O)CC1 ZINC000241231212 352305173 /nfs/dbraw/zinc/30/51/73/352305173.db2.gz KTBQGCVYESCOQX-OBJOEFQTSA-N 2 0 284.400 0.715 50 0 CCAARP O=C(CC[NH+]1Cc2ccccc2C1)NC[C@@]1(O)CC[NH2+]C1 ZINC000244678815 352310533 /nfs/dbraw/zinc/31/05/33/352310533.db2.gz IKUUQNBIFNFOML-MRXNPFEDSA-N 2 0 289.379 0.233 50 0 CCAARP C[N@@H+]1CC[C@@](C)(C[NH2+]C2CCN(S(C)(=O)=O)CC2)C1 ZINC000067872183 283099914 /nfs/dbraw/zinc/09/99/14/283099914.db2.gz XZCPRZBAWWHFLN-ZDUSSCGKSA-N 2 0 289.445 0.342 50 0 CCAARP O=C([C@@H]1C[NH2+]CCO1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000333480091 296055566 /nfs/dbraw/zinc/05/55/66/296055566.db2.gz BIHNABZBCBFJHB-KGLIPLIRSA-N 2 0 275.352 0.148 50 0 CCAARP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCN2CCCC2=O)CC1 ZINC000069901429 388952950 /nfs/dbraw/zinc/95/29/50/388952950.db2.gz JBQVXGIAGMVVOC-AWEZNQCLSA-N 2 0 297.443 0.633 50 0 CCAARP Cc1cc(N(C)CC2CC[NH+](CCO)CC2)nc(N)[nH+]1 ZINC000071859540 176279385 /nfs/dbraw/zinc/27/93/85/176279385.db2.gz ZMNWFIBLSHKAOC-UHFFFAOYSA-N 2 0 279.388 0.508 50 0 CCAARP O=C([C@@H]1C[NH2+]CCO1)N1CCC([NH+]2CCSCC2)CC1 ZINC000534588232 328316474 /nfs/dbraw/zinc/31/64/74/328316474.db2.gz YOFFSFWXOHJMIK-ZDUSSCGKSA-N 2 0 299.440 0.015 50 0 CCAARP O=C(NCCCCC[NH+]1CCOCC1)[C@H]1C=CC[NH2+]1 ZINC000670453841 545236066 /nfs/dbraw/zinc/23/60/66/545236066.db2.gz JRLKYHJNHAHSKW-CYBMUJFWSA-N 2 0 267.373 0.133 50 0 CCAARP CS(=O)(=O)Nc1ccc([C@@H]2C[C@@H]([NH3+])CC[NH2+]2)cc1 ZINC000757208859 581698195 /nfs/dbraw/zinc/69/81/95/581698195.db2.gz DZTFKLTVCIFNKK-JQWIXIFHSA-N 2 0 269.370 0.810 50 0 CCAARP CC(C)=CC[NH+]1CCC2(CC1)C[N@H+](C[C@H](O)CO)CCO2 ZINC000952860018 841569566 /nfs/dbraw/zinc/56/95/66/841569566.db2.gz UPMIOERMYHHKHA-HNNXBMFYSA-N 2 0 298.427 0.473 50 0 CCAARP Nc1ncccc1C[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H](O)C1 ZINC000097155597 349630164 /nfs/dbraw/zinc/63/01/64/349630164.db2.gz QHOBVWXIOVDRQG-OAHLLOKOSA-N 2 0 299.378 0.742 50 0 CCAARP c1cc[n+](CCOCCOCC[n+]2ccccc2)cc1 ZINC000001634161 347958828 /nfs/dbraw/zinc/95/88/28/347958828.db2.gz MHTJMGWBSAUUPC-UHFFFAOYSA-N 2 0 274.364 0.995 50 0 CCAARP Cn1cc(N2CC[NH+](CC3CC[NH2+]CC3)CC2)cn1 ZINC000178981412 351256536 /nfs/dbraw/zinc/25/65/36/351256536.db2.gz DVAWUVTWAWKOSB-UHFFFAOYSA-N 2 0 263.389 0.542 50 0 CCAARP O[C@@]1(C[NH2+]CCc2ccc3c(c2)OCO3)CCC[NH2+]C1 ZINC000072463591 388964758 /nfs/dbraw/zinc/96/47/58/388964758.db2.gz DTHLIBSXDXXFGP-HNNXBMFYSA-N 2 0 278.352 0.662 50 0 CCAARP C[C@H](CNS(=O)(=O)C1CC1)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000426535288 389672146 /nfs/dbraw/zinc/67/21/46/389672146.db2.gz XBYNWSKXAYCDMY-LLVKDONJSA-N 2 0 297.424 0.705 50 0 CCAARP NC(=O)c1ccc(C[NH2+]CC2CC[NH+](CCO)CC2)cc1 ZINC000069871968 175859265 /nfs/dbraw/zinc/85/92/65/175859265.db2.gz CBKRMBAFMDOUSI-UHFFFAOYSA-N 2 0 291.395 0.579 50 0 CCAARP Cn1cc(C[C@H](C[NH3+])C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cn1 ZINC000685940738 545870217 /nfs/dbraw/zinc/87/02/17/545870217.db2.gz SHVSONWPQMMCHV-KBMXLJTQSA-N 3 0 291.443 0.598 50 0 CCAARP C[NH+](C)[C@H](CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)c1ccc(F)cc1 ZINC000237201124 276863093 /nfs/dbraw/zinc/86/30/93/276863093.db2.gz NYJVUNQXWJTULM-MGPQQGTHSA-N 2 0 295.358 0.267 50 0 CCAARP O=C(C[NH+]1CCCCCCC1)N[C@@H]1CC[NH2+]C[C@H]1O ZINC000534633542 328332676 /nfs/dbraw/zinc/33/26/76/328332676.db2.gz OOLIWCKAHNWKRN-CHWSQXEVSA-N 2 0 269.389 0.092 50 0 CCAARP [NH3+][C@H]1CCN(C(=O)C2CC[NH+](C3CCOCC3)CC2)C1 ZINC000534653248 328338448 /nfs/dbraw/zinc/33/84/48/328338448.db2.gz JRMGPMFEBVVEDF-ZDUSSCGKSA-N 2 0 281.400 0.437 50 0 CCAARP C[NH+](C)CC1(O)CCN(C(=O)[C@@H]2CCCCC[N@@H+]2C)CC1 ZINC000670458527 545236475 /nfs/dbraw/zinc/23/64/75/545236475.db2.gz AFNKFQRZLIHHGL-AWEZNQCLSA-N 2 0 297.443 0.776 50 0 CCAARP CC[N@@H+]1CCC[C@H]1CSc1nnc(C[NH3+])n1C ZINC000426440321 812805487 /nfs/dbraw/zinc/80/54/87/812805487.db2.gz QSGRDFROIVOUPD-VIFPVBQESA-N 2 0 255.391 0.850 50 0 CCAARP C[N@H+](CCn1cnnc1)C[C@H]1CC[NH+](C)C1(C)C ZINC000823690241 821531997 /nfs/dbraw/zinc/53/19/97/821531997.db2.gz SLYMKLAEOQHLQI-GFCCVEGCSA-N 2 0 251.378 0.940 50 0 CCAARP C[N@@H+]1CC[C@](C)(C(=O)NCC2CC[NH+](C)CC2)C1 ZINC000823759310 821534837 /nfs/dbraw/zinc/53/48/37/821534837.db2.gz BGTVSGQPXHSZNR-AWEZNQCLSA-N 2 0 253.390 0.786 50 0 CCAARP CCC[NH+]1CCC(N2CC[NH+](CCO)CC2)CC1 ZINC000019362166 348059848 /nfs/dbraw/zinc/05/98/48/348059848.db2.gz MYCPOOAVQJDCEJ-UHFFFAOYSA-N 2 0 255.406 0.471 50 0 CCAARP C[N@@H+]1CCCN(C(=O)[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000070252173 348881298 /nfs/dbraw/zinc/88/12/98/348881298.db2.gz CVLCVHMEXQBNFP-LBPRGKRZSA-N 2 0 251.374 0.540 50 0 CCAARP [NH3+][C@@H]1CCCN(C(=O)C2([NH3+])Cc3ccccc3C2)C1 ZINC000157906169 350651295 /nfs/dbraw/zinc/65/12/95/350651295.db2.gz BGOQEAHHYLRJNW-CYBMUJFWSA-N 2 0 259.353 0.432 50 0 CCAARP C[C@H]([NH3+])C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000166612387 350800345 /nfs/dbraw/zinc/80/03/45/350800345.db2.gz ZOUJTTOHTCIQMB-MJBXVCDLSA-N 2 0 282.432 0.351 50 0 CCAARP C[C@H]1OCCN(C(=[NH2+])NC(N)=[NH2+])[C@H]1c1ccccc1 ZINC000006930940 291199686 /nfs/dbraw/zinc/19/96/86/291199686.db2.gz SKTDEDLUEZMIRA-MWLCHTKSSA-N 2 0 261.329 0.866 50 0 CCAARP [NH3+][C@H](C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2)C1CCC1 ZINC000333319216 205215884 /nfs/dbraw/zinc/21/58/84/205215884.db2.gz UCROUKWASJUURR-FZMZJTMJSA-N 2 0 274.368 0.964 50 0 CCAARP Cc1n[nH]c(C)c1CCC[NH2+]C[C@@]1(O)CC[NH2+]C1 ZINC000072473339 388964446 /nfs/dbraw/zinc/96/44/46/388964446.db2.gz KLSBFWYSHMLJFR-ZDUSSCGKSA-N 2 0 252.362 0.273 50 0 CCAARP O=C(C[C@H]1CC[NH2+]C1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000190158899 388984273 /nfs/dbraw/zinc/98/42/73/388984273.db2.gz LTVRWXGWUZKOIH-OAHLLOKOSA-N 2 0 295.427 0.557 50 0 CCAARP CC[N@@H+]1CC[C@@H]([NH+](C)CCn2cncn2)[C@H](C)C1 ZINC000079462588 388997249 /nfs/dbraw/zinc/99/72/49/388997249.db2.gz VINIXQAKHNTVQY-CHWSQXEVSA-N 2 0 251.378 0.940 50 0 CCAARP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CC[NH2+]C[C@H]2C)C1 ZINC000125002297 389163538 /nfs/dbraw/zinc/16/35/38/389163538.db2.gz LWJYCCPGEYSKOM-OLZOCXBDSA-N 2 0 253.390 0.785 50 0 CCAARP C[C@@H]([NH2+]CC1CC[NH+](C[C@H](C)O)CC1)C(=O)N1CCCC1 ZINC000069493242 287020472 /nfs/dbraw/zinc/02/04/72/287020472.db2.gz VXDPGNZVARDZGQ-UONOGXRCSA-N 2 0 297.443 0.680 50 0 CCAARP C[NH+](C)[C@@H]1CCN(Cc2cc3n(n2)CCC[NH2+]C3)C1 ZINC000072153657 176327998 /nfs/dbraw/zinc/32/79/98/176327998.db2.gz ZBKPZGCHKLLZLW-CYBMUJFWSA-N 2 0 263.389 0.512 50 0 CCAARP COCC[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC000136158109 544637435 /nfs/dbraw/zinc/63/74/35/544637435.db2.gz PBJHFAHSCYUWCU-OAHLLOKOSA-N 2 0 297.443 0.803 50 0 CCAARP C[N@@H+]1CCC[C@H]1C(=O)NCCCOC1CC[NH+](C)CC1 ZINC000534630542 328331178 /nfs/dbraw/zinc/33/11/78/328331178.db2.gz TVWBJGQZLHYBLH-AWEZNQCLSA-N 2 0 283.416 0.698 50 0 CCAARP Nc1ncccc1C[NH+]1CCC(n2cc(C[NH3+])nn2)CC1 ZINC000023250327 623334118 /nfs/dbraw/zinc/33/41/18/623334118.db2.gz BRWVSXHLIQRBDA-UHFFFAOYSA-N 2 0 287.371 0.551 50 0 CCAARP CN1CCC[N@H+](Cc2cccnn2)CC12CC[NH2+]CC2 ZINC000426497338 812838816 /nfs/dbraw/zinc/83/88/16/812838816.db2.gz YNXQZQQASIIPHD-UHFFFAOYSA-N 2 0 275.400 0.736 50 0 CCAARP CC1(C)CC([NH2+]C[C@@H]2CC[NH2+]C[C@H]2O)CC(C)(C)[NH2+]1 ZINC000426519184 812839798 /nfs/dbraw/zinc/83/97/98/812839798.db2.gz FAXLDMPBQLKNRZ-WCQYABFASA-N 3 0 269.433 0.856 50 0 CCAARP C[C@@H](C(=O)NCC1CC[NH+](C)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000823759317 821535696 /nfs/dbraw/zinc/53/56/96/821535696.db2.gz DFLVMOWDHDLKQJ-MJBXVCDLSA-N 2 0 297.443 0.942 50 0 CCAARP C[C@@H]1CCCC[N@@H+]1CC(=O)NCC1CC[NH+](CCO)CC1 ZINC000828759869 821831657 /nfs/dbraw/zinc/83/16/57/821831657.db2.gz ZLUFWFRHOSYSAS-CQSZACIVSA-N 2 0 297.443 0.681 50 0 CCAARP C[C@@](O)(C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1)C(F)(F)F ZINC000380765175 849691482 /nfs/dbraw/zinc/69/14/82/849691482.db2.gz QKZXSLFKVHZXSP-GXSJLCMTSA-N 2 0 297.321 0.087 50 0 CCAARP N=C(NC(=O)CCCCC[NH3+])NC(=O)CCCCC[NH3+] ZINC000004015760 347988072 /nfs/dbraw/zinc/98/80/72/347988072.db2.gz YIWLFBPUDVNNEZ-UHFFFAOYSA-N 2 0 285.392 0.192 50 0 CCAARP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](C)Cn2cccn2)CC1 ZINC000069368474 348842699 /nfs/dbraw/zinc/84/26/99/348842699.db2.gz VYTOAOQTYNGBEM-CYBMUJFWSA-N 2 0 293.415 0.462 50 0 CCAARP C[NH2+]CCN1C(=O)CC[C@H]2C[N@H+](C3CCOCC3)CC[C@H]21 ZINC000072412500 348922616 /nfs/dbraw/zinc/92/26/16/348922616.db2.gz BNQPKVLTDSOFHZ-DZGCQCFKSA-N 2 0 295.427 0.698 50 0 CCAARP C[NH2+]C[C@H]1CCCN(C(=O)C2([NH3+])Cc3ccccc3C2)C1 ZINC000299738722 354042874 /nfs/dbraw/zinc/04/28/74/354042874.db2.gz FNSHXRXDIHSSEG-CYBMUJFWSA-N 2 0 287.407 0.941 50 0 CCAARP C[NH+](C)[C@@H]1CN(C(=O)C[NH+]2CCCCCC2)C[C@H]1CO ZINC000409420134 358111778 /nfs/dbraw/zinc/11/17/78/358111778.db2.gz KKNUQMWCJUWIIH-UONOGXRCSA-N 2 0 283.416 0.243 50 0 CCAARP CC(=O)NC(C)(C)C[C@@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000584899748 359240612 /nfs/dbraw/zinc/24/06/12/359240612.db2.gz LRKRTLLLXRWKBZ-GFCCVEGCSA-N 2 0 285.432 0.726 50 0 CCAARP O[C@@]1(C[NH+]2CCC(CCn3cccn3)CC2)CC[NH2+]C1 ZINC000072424718 388963908 /nfs/dbraw/zinc/96/39/08/388963908.db2.gz QGFWPICBOPQYCC-HNNXBMFYSA-N 2 0 278.400 0.710 50 0 CCAARP CC[C@@H](C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)[NH+](C)C ZINC000125207308 389164521 /nfs/dbraw/zinc/16/45/21/389164521.db2.gz DSJBQBKSBMDCKV-CABCVRRESA-N 2 0 297.443 0.897 50 0 CCAARP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000094460188 297094793 /nfs/dbraw/zinc/09/47/93/297094793.db2.gz WDMNDMRHRHHEJI-FVCCEPFGSA-N 2 0 251.374 0.809 50 0 CCAARP CCC[NH+]1CCC(CCNC(=O)[C@@H]2CC[NH2+]2)CC1 ZINC000670450916 545235803 /nfs/dbraw/zinc/23/58/03/545235803.db2.gz FNQJESRQKLTDLL-ZDUSSCGKSA-N 2 0 253.390 0.977 50 0 CCAARP CS(=O)(=O)Nc1ccc([C@H]2C[NH2+]CC[C@@H]2[NH3+])cc1 ZINC000757207386 581698528 /nfs/dbraw/zinc/69/85/28/581698528.db2.gz ATIRCNZRYHPLEQ-NEPJUHHUSA-N 2 0 269.370 0.462 50 0 CCAARP CC(C)CN1CC[N@H+](C[C@H]2[C@@H]3C[NH2+]C[C@H]23)C[C@H]1CCO ZINC000952965472 614096598 /nfs/dbraw/zinc/09/65/98/614096598.db2.gz QUDGPZIOYNLREJ-WCVJEAGWSA-N 2 0 281.444 0.476 50 0 CCAARP CS(=O)(=O)CC[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC000952981574 639088203 /nfs/dbraw/zinc/08/82/03/639088203.db2.gz NXDYMLSZNMETJS-UHFFFAOYSA-N 2 0 274.430 0.933 50 0 CCAARP COCCn1cncc1C[NH2+][C@@H](C)Cn1ccnc1 ZINC000824466093 821631745 /nfs/dbraw/zinc/63/17/45/821631745.db2.gz GGTZJOVKZAPVRF-LBPRGKRZSA-N 2 0 263.345 0.904 50 0 CCAARP Cc1cc(N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)nc(N)[nH+]1 ZINC000106906073 349734713 /nfs/dbraw/zinc/73/47/13/349734713.db2.gz QUDNCGHELYKGNV-QWRGUYRKSA-N 2 0 265.361 0.259 50 0 CCAARP [NH3+]Cc1ccc2c(c1)CCCN2C(=O)C[C@@H]1COCC[NH2+]1 ZINC000262282593 137034685 /nfs/dbraw/zinc/03/46/85/137034685.db2.gz XJTPAWRUWROGSM-CQSZACIVSA-N 2 0 289.379 0.803 50 0 CCAARP COc1ccnc(N2CC[NH+](CC3CC[NH2+]CC3)CC2)n1 ZINC000262291211 137036172 /nfs/dbraw/zinc/03/61/72/137036172.db2.gz WDOFDFCXOJNZIG-UHFFFAOYSA-N 2 0 291.399 0.607 50 0 CCAARP CC[N@@H+]1CC[C@@H](CN(C)c2ncnc3c2CC[NH2+]C3)C1 ZINC000067459660 348774590 /nfs/dbraw/zinc/77/45/90/348774590.db2.gz KYKDHNGVMXWNKC-LBPRGKRZSA-N 2 0 275.400 0.900 50 0 CCAARP COCC[N@@H+]1CC[C@@H](CN(C)C2CC[NH2+]CC2)C1 ZINC000067649520 348780261 /nfs/dbraw/zinc/78/02/61/348780261.db2.gz NJKPXUSHGYKGRQ-ZDUSSCGKSA-N 2 0 255.406 0.639 50 0 CCAARP C[N@@H+]1CC[C@H](C(=O)N2CC[NH+](C[C@H](O)C(C)(C)C)CC2)C1 ZINC000075603856 349040788 /nfs/dbraw/zinc/04/07/88/349040788.db2.gz ZEABNPCPMFQIIB-KBPBESRZSA-N 2 0 297.443 0.489 50 0 CCAARP O=C(C1CC[NH2+]CC1)N1CC[NH+](C2CCC2)CC1 ZINC000090635886 180017077 /nfs/dbraw/zinc/01/70/77/180017077.db2.gz METALSXUOLMENM-UHFFFAOYSA-N 2 0 251.374 0.683 50 0 CCAARP O=C([C@H]1C[C@H](F)C[NH2+]1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000188770804 351626886 /nfs/dbraw/zinc/62/68/86/351626886.db2.gz YGFDTZZVZAXZSI-UONOGXRCSA-N 2 0 299.390 0.257 50 0 CCAARP C[C@@H]([NH3+])C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000237450106 352266106 /nfs/dbraw/zinc/26/61/06/352266106.db2.gz ZOUJTTOHTCIQMB-HZSPNIEDSA-N 2 0 282.432 0.351 50 0 CCAARP CC(=O)N1CCC[N@@H+]([C@H]2COC3(C2)CC[NH2+]CC3)CC1 ZINC000010231857 388767104 /nfs/dbraw/zinc/76/71/04/388767104.db2.gz BMPYUBQYQNNFKY-CQSZACIVSA-N 2 0 281.400 0.452 50 0 CCAARP Cn1cc(CCC[N@H+](C)C[C@]2(O)CCC[NH2+]C2)cn1 ZINC000072478259 388965657 /nfs/dbraw/zinc/96/56/57/388965657.db2.gz IUAMIVOYRDOMJW-AWEZNQCLSA-N 2 0 266.389 0.399 50 0 CCAARP COCC[N@H+](C)C[C@@H]1CN(c2cc[nH+]cc2)C[C@@H]1CO ZINC000091586464 389024602 /nfs/dbraw/zinc/02/46/02/389024602.db2.gz LYDLTFPDJNJTHS-ZIAGYGMSSA-N 2 0 279.384 0.705 50 0 CCAARP Fc1ccc(N2CC[C@H]([NH2+]CCN3CC[NH2+]CC3)C2)cc1 ZINC000426435358 389667841 /nfs/dbraw/zinc/66/78/41/389667841.db2.gz IEIIRHKFVBAXFV-HNNXBMFYSA-N 2 0 292.402 0.899 50 0 CCAARP CCNC(=O)[C@@H]1C[C@H]([NH3+])CN1C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000067833522 285572687 /nfs/dbraw/zinc/57/26/87/285572687.db2.gz QLNKQTJCENVNDB-AAEUAGOBSA-N 2 0 296.459 0.833 50 0 CCAARP Cc1nnnn1CCC[N@H+]1CCC[C@@](O)(C[NH+](C)C)CC1 ZINC000072130876 176321597 /nfs/dbraw/zinc/32/15/97/176321597.db2.gz ANTXIQDOXOSAAM-AWEZNQCLSA-N 2 0 296.419 0.150 50 0 CCAARP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)CC(=O)N2CCOCC2)C1 ZINC000225339661 276073169 /nfs/dbraw/zinc/07/31/69/276073169.db2.gz HBWHRUBUQYISHA-CABCVRRESA-N 2 0 297.443 0.897 50 0 CCAARP C[NH+]1CCC(O)(CCC2(O)CC[NH+](C)CC2)CC1 ZINC000000398865 289888343 /nfs/dbraw/zinc/88/83/43/289888343.db2.gz LSXPUOJHVYQPGG-UHFFFAOYSA-N 2 0 256.390 0.680 50 0 CCAARP CN(CC(=O)N1CCSCC1)C1CC[NH2+]CC1 ZINC000534582788 328312624 /nfs/dbraw/zinc/31/26/24/328312624.db2.gz AELFCWQYBTTWRY-UHFFFAOYSA-N 2 0 257.403 0.246 50 0 CCAARP CCCOC[C@@H]1CC[N@H+](CC(=O)N2CC[NH2+]CC2)C1 ZINC000670450649 545235908 /nfs/dbraw/zinc/23/59/08/545235908.db2.gz SZEJJPYAOTUVLE-CYBMUJFWSA-N 2 0 269.389 0.167 50 0 CCAARP [NH3+][C@@H]1C[NH2+]C[C@H]([C@H]2CC[C@@H](C(F)(F)F)NC2)C1 ZINC000757213241 581698972 /nfs/dbraw/zinc/69/89/72/581698972.db2.gz PLIAAMRPHXVDHD-JXUBOQSCSA-N 2 0 251.296 0.854 50 0 CCAARP COc1cccc(OC[C@H](O)C[NH2+]C2CC[NH2+]CC2)c1 ZINC000032577805 816360829 /nfs/dbraw/zinc/36/08/29/816360829.db2.gz LTQQCDKFCGYUAD-CYBMUJFWSA-N 2 0 280.368 0.777 50 0 CCAARP C[C@H](CS(C)(=O)=O)[NH2+]CC1(N(C)C)CC[NH+](C)CC1 ZINC000823759458 821534504 /nfs/dbraw/zinc/53/45/04/821534504.db2.gz JRYPNKSLOZBABP-GFCCVEGCSA-N 2 0 291.461 0.035 50 0 CCAARP C[N@@H+]1CCOC[C@H](CNC(=O)CC2CC[NH2+]CC2)C1 ZINC000823801223 821541203 /nfs/dbraw/zinc/54/12/03/821541203.db2.gz PRLHMXXULRWIPA-CYBMUJFWSA-N 2 0 269.389 0.071 50 0 CCAARP COCC[N@@H+]1CCC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC000824413216 821629849 /nfs/dbraw/zinc/62/98/49/821629849.db2.gz WJFCDULRGAEHRK-CQSZACIVSA-N 2 0 283.416 0.557 50 0 CCAARP CN(C(=O)[C@H]1C[NH2+]CCO1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000827868376 821701404 /nfs/dbraw/zinc/70/14/04/821701404.db2.gz ZCKFIYWWTFPQGD-GFCCVEGCSA-N 2 0 283.416 0.742 50 0 CCAARP C/C=C/C[N@@H+]1CCC2(CC[NH+](CCO)CC2)[C@@H](CO)C1 ZINC000219629190 839588063 /nfs/dbraw/zinc/58/80/63/839588063.db2.gz QKXMWQIJVIDGBJ-XYBNCVKDSA-N 2 0 282.428 0.951 50 0 CCAARP C[NH2+]C[C@H](O)CN1CC[NH+](CCc2ccccc2)CC1 ZINC000952877383 841581447 /nfs/dbraw/zinc/58/14/47/841581447.db2.gz PKIJGRCEFCQXAJ-INIZCTEOSA-N 2 0 277.412 0.427 50 0 CCAARP CC(C)NC(=O)[C@@H]1C[C@@H]([NH3+])CN1CC1(C)CC[NH+](C)CC1 ZINC000067473057 853859846 /nfs/dbraw/zinc/85/98/46/853859846.db2.gz SDCJLIIELSFSCX-KGLIPLIRSA-N 2 0 296.459 0.645 50 0 CCAARP COCC[N@@H+]1CCN(c2cc(C)[nH+]c(N)n2)C[C@@H]1C ZINC000106906115 349734679 /nfs/dbraw/zinc/73/46/79/349734679.db2.gz BPRZVDZKFWKITH-NSHDSACASA-N 2 0 265.361 0.524 50 0 CCAARP C[NH+](C)CCC[NH2+]C[C@H](O)COc1ccccc1 ZINC000001817474 347962844 /nfs/dbraw/zinc/96/28/44/347962844.db2.gz XELOOTAZVDARBY-ZDUSSCGKSA-N 2 0 252.358 0.968 50 0 CCAARP COCC[NH+]1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000069872379 348864160 /nfs/dbraw/zinc/86/41/60/348864160.db2.gz LRCCPFRTQFWPJO-UHFFFAOYSA-N 2 0 278.400 0.912 50 0 CCAARP Cc1cc(N(C)C)nc(N2CCO[C@H](C[NH+](C)C)C2)[nH+]1 ZINC000069922866 348867233 /nfs/dbraw/zinc/86/72/33/348867233.db2.gz ASOHPWKWJHRYSJ-GFCCVEGCSA-N 2 0 279.388 0.618 50 0 CCAARP C[C@H]([NH3+])C(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000157403468 188315618 /nfs/dbraw/zinc/31/56/18/188315618.db2.gz SAPGMSGFKBGELV-JTQLQIEISA-N 2 0 255.387 0.986 50 0 CCAARP C[NH2+]C[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC000299739808 354042769 /nfs/dbraw/zinc/04/27/69/354042769.db2.gz RNGCSZNATFOLTQ-CHWSQXEVSA-N 2 0 253.390 0.929 50 0 CCAARP C[NH2+]C[C@@H]1CCCN(C(=O)C2([NH3+])Cc3ccccc3C2)C1 ZINC000299738723 354042959 /nfs/dbraw/zinc/04/29/59/354042959.db2.gz FNSHXRXDIHSSEG-ZDUSSCGKSA-N 2 0 287.407 0.941 50 0 CCAARP C[NH+](C)[C@H]1CN(C2CC(C)(C)[NH2+]C(C)(C)C2)C[C@@H]1O ZINC000584886652 359226661 /nfs/dbraw/zinc/22/66/61/359226661.db2.gz RQNZRLKBXQZEIK-STQMWFEESA-N 2 0 269.433 0.902 50 0 CCAARP C[C@@H]1C[C@H](N(C)C(=O)[C@]2(C)CC[NH2+]C2)CC[N@@H+]1C ZINC000299739535 200852402 /nfs/dbraw/zinc/85/24/02/200852402.db2.gz PSZWLOFMBDIYRS-YRGRVCCFSA-N 2 0 253.390 0.927 50 0 CCAARP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CC[NH2+]C[C@H]2C)C1 ZINC000125002101 389163836 /nfs/dbraw/zinc/16/38/36/389163836.db2.gz LWJYCCPGEYSKOM-CHWSQXEVSA-N 2 0 253.390 0.785 50 0 CCAARP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000245338799 389205132 /nfs/dbraw/zinc/20/51/32/389205132.db2.gz OOYKXOOZFXQUPT-ARILJUKYSA-N 2 0 297.443 0.941 50 0 CCAARP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000020434144 171199622 /nfs/dbraw/zinc/19/96/22/171199622.db2.gz WLIHDBWUBSTVDV-UPJWGTAASA-N 2 0 269.389 0.090 50 0 CCAARP Cc1cnc(C[N@H+](C)CC2CC[NH+](CCO)CC2)cn1 ZINC000071871573 176283783 /nfs/dbraw/zinc/28/37/83/176283783.db2.gz ZOYRBPXNFPJXNE-UHFFFAOYSA-N 2 0 278.400 0.921 50 0 CCAARP CC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH2+]CCOC)[C@H](C)C1 ZINC000299738572 279396523 /nfs/dbraw/zinc/39/65/23/279396523.db2.gz CGTGPUFEEGDMNX-CHWSQXEVSA-N 2 0 271.405 0.411 50 0 CCAARP CC[C@@H](O)C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000071909515 327106267 /nfs/dbraw/zinc/10/62/67/327106267.db2.gz JQHOFQDMKZKVLL-LSDHHAIUSA-N 2 0 269.433 0.859 50 0 CCAARP [NH3+][C@@H]1CC[NH2+][C@H]([C@@H]2CC[C@H](C(F)(F)F)NC2)C1 ZINC000757215654 581688619 /nfs/dbraw/zinc/68/86/19/581688619.db2.gz WOHMZBZVPKGQFU-DOLQZWNJSA-N 2 0 251.296 0.996 50 0 CCAARP CS(=O)(=O)Nc1ccc([C@H]2C[NH2+]CC[C@H]2[NH3+])cc1 ZINC000757207390 581698414 /nfs/dbraw/zinc/69/84/14/581698414.db2.gz ATIRCNZRYHPLEQ-VXGBXAGGSA-N 2 0 269.370 0.462 50 0 CCAARP CN(CC[N@H+](C)C1CC1)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000328600716 282115337 /nfs/dbraw/zinc/11/53/37/282115337.db2.gz ZFBYQRGEUAVUFB-UHFFFAOYSA-N 2 0 293.415 0.611 50 0 CCAARP CCC[NH+]1CCC([NH2+]CCN2CCOCC2)CC1 ZINC000019953947 348074951 /nfs/dbraw/zinc/07/49/51/348074951.db2.gz ARAOJSMEJUKCAB-UHFFFAOYSA-N 2 0 255.406 0.783 50 0 CCAARP O=C(CN1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1)NCC1CC1 ZINC000106931508 186152673 /nfs/dbraw/zinc/15/26/73/186152673.db2.gz ZNYVFGSXNQNIIN-RBSFLKMASA-N 2 0 277.412 0.929 50 0 CCAARP C[NH+](C)[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1O ZINC000584895247 359235590 /nfs/dbraw/zinc/23/55/90/359235590.db2.gz DTANPPHLVQOTHT-KBPBESRZSA-N 2 0 283.416 0.386 50 0 CCAARP O[C@]1(C[NH+]2CCC(c3cc[nH]n3)CC2)CCC[NH2+]C1 ZINC000072478959 388965980 /nfs/dbraw/zinc/96/59/80/388965980.db2.gz FOWQUYIVFDGPNG-CQSZACIVSA-N 2 0 264.373 0.704 50 0 CCAARP CC[C@H](C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)[NH+](C)C ZINC000125207513 389164327 /nfs/dbraw/zinc/16/43/27/389164327.db2.gz DSJBQBKSBMDCKV-HUUCEWRRSA-N 2 0 297.443 0.897 50 0 CCAARP O=C(NC[C@@H]1CC[NH2+]C[C@H]1O)C1([NH+]2CCCC2)CCCC1 ZINC000072146836 176326018 /nfs/dbraw/zinc/32/60/18/176326018.db2.gz BXRXKPITMRGNKE-UONOGXRCSA-N 2 0 295.427 0.482 50 0 CCAARP Cc1nc(CC[NH2+]C[C@@]2(O)CC[NH2+]C2)nc2c1CCCC2 ZINC000072411804 176398901 /nfs/dbraw/zinc/39/89/01/176398901.db2.gz XAPOARKVIOIWFZ-INIZCTEOSA-N 2 0 290.411 0.520 50 0 CCAARP O[C@]1(C[NH2+]CCc2nc3c(s2)CCCC3)CC[NH2+]C1 ZINC000077355576 177256631 /nfs/dbraw/zinc/25/66/31/177256631.db2.gz XHWMPUSPXUMWEJ-AWEZNQCLSA-N 2 0 281.425 0.878 50 0 CCAARP C[N@@H+]1C[C@@H]2CC[C@H](C1)N(Cc1cc3n(n1)CC[NH2+]C3)C2 ZINC000215564980 277205853 /nfs/dbraw/zinc/20/58/53/277205853.db2.gz OCPZVHFMVZSIBP-GXTWGEPZSA-N 2 0 275.400 0.512 50 0 CCAARP CO[C@H]1C[NH2+]C[C@@H]1NC(=O)C[NH+]1CCCCCCC1 ZINC000534584756 328314820 /nfs/dbraw/zinc/31/48/20/328314820.db2.gz VGBGUMGDIZBHAN-STQMWFEESA-N 2 0 269.389 0.356 50 0 CCAARP COCC[NH+]1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]C3)CC1 ZINC000534593158 328318934 /nfs/dbraw/zinc/31/89/34/328318934.db2.gz UDJLQXWXDMSRDY-ZFWWWQNUSA-N 2 0 295.427 0.555 50 0 CCAARP O=C([C@H]1C=CC[NH2+]1)N1CCC([NH+]2CCSCC2)CC1 ZINC000534675546 328356117 /nfs/dbraw/zinc/35/61/17/328356117.db2.gz GXPCIJQQKZREFS-CYBMUJFWSA-N 2 0 281.425 0.554 50 0 CCAARP CCC[NH+]1CCC(CC(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000952969867 614618103 /nfs/dbraw/zinc/61/81/03/614618103.db2.gz GMEFWXAAOZXDNV-CQSZACIVSA-N 2 0 283.416 0.685 50 0 CCAARP C[N@H+](CCO)CCNc1cc([C@H]2C[C@H]([NH3+])C2)ncn1 ZINC000244794632 649637941 /nfs/dbraw/zinc/63/79/41/649637941.db2.gz QQTILJLMMZBMGB-XYPYZODXSA-N 2 0 265.361 0.017 50 0 CCAARP CC(C)n1cnnc1C[NH+]1CCC2(CC1)C[NH2+]CCO2 ZINC000822288487 821479112 /nfs/dbraw/zinc/47/91/12/821479112.db2.gz QKBRRFHISHCBMC-UHFFFAOYSA-N 2 0 279.388 0.813 50 0 CCAARP CN1CCC(CNC(=O)C[C@H]2CCOC2)([NH+](C)C)CC1 ZINC000823759395 821534647 /nfs/dbraw/zinc/53/46/47/821534647.db2.gz DOIPBTFTSCUMKU-CYBMUJFWSA-N 2 0 283.416 0.555 50 0 CCAARP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]CC1(Cn2ccnc2)CC1 ZINC000823789488 821541465 /nfs/dbraw/zinc/54/14/65/821541465.db2.gz WLNIBGHPTLGRJG-HNNXBMFYSA-N 2 0 291.443 0.889 50 0 CCAARP OC1(C[NH+]2CCCC2)CC[NH+]([C@@H]2CCOC2)CC1 ZINC000828605398 821789557 /nfs/dbraw/zinc/78/95/57/821789557.db2.gz WTMRKQLXUXWMGL-CYBMUJFWSA-N 2 0 254.374 0.698 50 0 CCAARP O[C@]1(CN2CC[NH+](CCc3ccccc3)CC2)CC[NH2+]C1 ZINC000952876995 841581548 /nfs/dbraw/zinc/58/15/48/841581548.db2.gz JZYQSLAGOGDLNQ-QGZVFWFLSA-N 2 0 289.423 0.571 50 0 CCAARP C[NH+]1CCN(c2ccc(N)c(N3CC[NH+](C)CC3)c2)CC1 ZINC000000783310 347951313 /nfs/dbraw/zinc/95/13/13/347951313.db2.gz KAJCFZUIUCDMNV-UHFFFAOYSA-N 2 0 289.427 0.772 50 0 CCAARP Cc1[nH+]c(N(C)C)nc(NC[C@H]2C[NH2+]CCO2)c1C ZINC000065410322 348714316 /nfs/dbraw/zinc/71/43/16/348714316.db2.gz BQFKVNVYGNLOBP-LLVKDONJSA-N 2 0 265.361 0.560 50 0 CCAARP Cc1cc(C[NH2+]CC2CC[NH+](CCO)CC2)no1 ZINC000075602793 349040969 /nfs/dbraw/zinc/04/09/69/349040969.db2.gz OLINEXLVFLKCMD-UHFFFAOYSA-N 2 0 253.346 0.777 50 0 CCAARP C[NH+](C)C[C@@H]1C[N@H+](Cc2ccc(CC[NH3+])cc2)C[C@@H]1CO ZINC000091270432 180118084 /nfs/dbraw/zinc/11/80/84/180118084.db2.gz RKPMIVIGMHTULZ-IAGOWNOFSA-N 3 0 291.439 0.790 50 0 CCAARP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)CC(=O)N2CCOCC2)C1 ZINC000170602807 350847874 /nfs/dbraw/zinc/84/78/74/350847874.db2.gz HBWHRUBUQYISHA-LSDHHAIUSA-N 2 0 297.443 0.897 50 0 CCAARP OCC[NH+]1CCN(Cc2ccc3c(c2)C[NH2+]CCO3)CC1 ZINC000299781310 354051828 /nfs/dbraw/zinc/05/18/28/354051828.db2.gz RFVHTSZHGGKZEW-UHFFFAOYSA-N 2 0 291.395 0.279 50 0 CCAARP C[NH2+][C@H]1CCCN(C(=O)[C@H](C[NH3+])c2ccccc2)C1 ZINC000178596407 189129681 /nfs/dbraw/zinc/12/96/81/189129681.db2.gz MKMZPLLHFPVRNA-UONOGXRCSA-N 2 0 261.369 0.939 50 0 CCAARP C[C@H](O)C[NH+]1CCC(C[NH2+]CCCN2CCCC2=O)CC1 ZINC000069597226 299468031 /nfs/dbraw/zinc/46/80/31/299468031.db2.gz RHXFZTLNFIASKC-AWEZNQCLSA-N 2 0 297.443 0.681 50 0 CCAARP [NH3+]CCOc1ccc(NC(=O)[C@H]2C[C@H](F)C[NH2+]2)cc1 ZINC000188801191 388941812 /nfs/dbraw/zinc/94/18/12/388941812.db2.gz HSFGYXCYSWUCFS-JOYOIKCWSA-N 2 0 267.304 0.663 50 0 CCAARP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)CCC[NH3+])C[C@H](C)O1 ZINC000237675668 389193069 /nfs/dbraw/zinc/19/30/69/389193069.db2.gz IQAUSBJJLZFRLH-HZSPNIEDSA-N 2 0 283.416 0.826 50 0 CCAARP O=C(C[C@@H]1COCC[NH2+]1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000333616840 389437009 /nfs/dbraw/zinc/43/70/09/389437009.db2.gz RENIAIGZPDUPOD-CABCVRRESA-N 2 0 289.379 0.538 50 0 CCAARP C[C@@H](CN(C)CCO)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000426514945 389671072 /nfs/dbraw/zinc/67/10/72/389671072.db2.gz ZWJJSQADMBOMLX-ZDUSSCGKSA-N 2 0 255.406 0.375 50 0 CCAARP C[N@H+](CCNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)Cc1ccc(F)cc1 ZINC000237146371 131007500 /nfs/dbraw/zinc/00/75/00/131007500.db2.gz YMVRSBYKSBQAMG-ZIAGYGMSSA-N 2 0 295.358 0.097 50 0 CCAARP C[C@H](O)C[NH+]1CCC(C[NH2+]CCN2CCCC2=O)CC1 ZINC000069569164 175840208 /nfs/dbraw/zinc/84/02/08/175840208.db2.gz GQTIMYBIKRDLGO-ZDUSSCGKSA-N 2 0 283.416 0.291 50 0 CCAARP CC(C)[C@H]([NH3+])C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000236722268 280272166 /nfs/dbraw/zinc/27/21/66/280272166.db2.gz FUDLRCZMXQGOHT-KBPBESRZSA-N 2 0 283.416 0.541 50 0 CCAARP C[C@H](C(=O)NC[C@](C)(O)C[NH+](C)C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000240707807 298165103 /nfs/dbraw/zinc/16/51/03/298165103.db2.gz HQQGTCRYFWFNNO-COMQUAJESA-N 2 0 285.432 0.677 50 0 CCAARP [NH3+][C@@H]1CN(C2CC[NH+](C3CCCC3)CC2)C[C@H]1O ZINC000426381465 303475150 /nfs/dbraw/zinc/47/51/50/303475150.db2.gz OIQPCJBONKCMGD-ZIAGYGMSSA-N 2 0 253.390 0.397 50 0 CCAARP O=C(C1CC[NH2+]CC1)N1CC[N@H+](CC2CC2)[C@H](CCO)C1 ZINC000534652422 328338077 /nfs/dbraw/zinc/33/80/77/328338077.db2.gz SHKKYUVMQYJMLA-OAHLLOKOSA-N 2 0 295.427 0.291 50 0 CCAARP C[NH+]1CCC(OCCCNC(=O)[C@H]2C=CC[NH2+]2)CC1 ZINC000534652969 328338305 /nfs/dbraw/zinc/33/83/05/328338305.db2.gz CITNFGVMCSETTP-CYBMUJFWSA-N 2 0 267.373 0.132 50 0 CCAARP COCC[N@@H+]1CCC[C@@H](C(=O)NCCc2nccn2C)C1 ZINC000299775915 632870946 /nfs/dbraw/zinc/87/09/46/632870946.db2.gz LTPQJQUFYADLOM-CYBMUJFWSA-N 2 0 294.399 0.437 50 0 CCAARP [NH3+]C[C@]12CCC[C@H]1C[N@H+](C[C@@H](O)Cn1cccn1)C2 ZINC000864097261 645172838 /nfs/dbraw/zinc/17/28/38/645172838.db2.gz RARPDOMZTCAULJ-MJBXVCDLSA-N 2 0 264.373 0.305 50 0 CCAARP OC[C@H]1CCC[N@H+](CCC[NH2+]C[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000952987378 649614558 /nfs/dbraw/zinc/61/45/58/649614558.db2.gz MEVCXELEBQYTKX-ZQDZILKHSA-N 3 0 267.417 0.136 50 0 CCAARP CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1[NH2+]CCN1CCCC1=O ZINC000693665742 791674138 /nfs/dbraw/zinc/67/41/38/791674138.db2.gz GAMLYKLRAHUBKM-YUTCNCBUSA-N 2 0 265.401 0.975 50 0 CCAARP CC[NH+]1CCC(C[NH2+][C@@H]2CCOC2)(N(C)C)CC1 ZINC000823107391 821508316 /nfs/dbraw/zinc/50/83/16/821508316.db2.gz YUAKZRXSRRCLQZ-CYBMUJFWSA-N 2 0 255.406 0.781 50 0 CCAARP Cc1c[nH+]ccc1NCC[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000823789210 821541392 /nfs/dbraw/zinc/54/13/92/821541392.db2.gz RRZFKERIYXQYAW-HNNXBMFYSA-N 3 0 291.443 0.449 50 0 CCAARP Cc1n[nH]cc1C[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000097159408 349629728 /nfs/dbraw/zinc/62/97/28/349629728.db2.gz KNOJDWKPYODXLF-UHFFFAOYSA-N 2 0 265.405 0.835 50 0 CCAARP Cc1cc(N2CC[NH+](C[C@H](O)CO)CC2)cc(C)[nH+]1 ZINC000097515138 349642452 /nfs/dbraw/zinc/64/24/52/349642452.db2.gz OCFDMRMSAIWNTP-AWEZNQCLSA-N 2 0 265.357 0.174 50 0 CCAARP C[NH+](C)CCC[NH2+]C[C@@H](O)COc1ccccc1 ZINC000001817475 347962342 /nfs/dbraw/zinc/96/23/42/347962342.db2.gz XELOOTAZVDARBY-CYBMUJFWSA-N 2 0 252.358 0.968 50 0 CCAARP CC[C@@H](C)[NH+]1CCC(N2CC[NH+](CCO)CC2)CC1 ZINC000019889073 348073263 /nfs/dbraw/zinc/07/32/63/348073263.db2.gz OEBZZXOLZLNWDK-CQSZACIVSA-N 2 0 269.433 0.859 50 0 CCAARP OCC[NH+]1CCC(C[NH2+]C[C@H]2CCCCO2)CC1 ZINC000069590263 348853231 /nfs/dbraw/zinc/85/32/31/348853231.db2.gz UBYYYYUBSHUDBV-CQSZACIVSA-N 2 0 256.390 0.849 50 0 CCAARP C[C@H](O)C[NH+]1CCN(C[C@H](O)C[NH+]2CCC(C)CC2)CC1 ZINC000069968337 348868347 /nfs/dbraw/zinc/86/83/47/348868347.db2.gz XFLYNNSUXXFBEO-JKSUJKDBSA-N 2 0 299.459 0.078 50 0 CCAARP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)CCC[NH3+])C[C@@H](C)O1 ZINC000237509487 352268783 /nfs/dbraw/zinc/26/87/83/352268783.db2.gz IQAUSBJJLZFRLH-MCIONIFRSA-N 2 0 283.416 0.826 50 0 CCAARP [NH3+]CC[C@H]1CN(CCn2cc(Cl)cn2)CCO1 ZINC000252500823 352517453 /nfs/dbraw/zinc/51/74/53/352517453.db2.gz TVXFCCJSRZAHFL-NSHDSACASA-N 2 0 258.753 0.586 50 0 CCAARP C[NH+](C)CC1CC[NH+](CC(=O)NC[C@H]2CCCO2)CC1 ZINC000040543223 174323557 /nfs/dbraw/zinc/32/35/57/174323557.db2.gz VQXNWDROXGNTJO-CQSZACIVSA-N 2 0 283.416 0.555 50 0 CCAARP C[C@H](C(=O)NCC[NH+]1CCC(O)CC1)[NH+]1CCCCCC1 ZINC000333969487 298154337 /nfs/dbraw/zinc/15/43/37/298154337.db2.gz USSGPPYIPAEJLF-CQSZACIVSA-N 2 0 297.443 0.824 50 0 CCAARP C[NH+](C)C[C@H](O)CNC(=O)C1([NH+]2CCCC2)CCCC1 ZINC000534652405 328337870 /nfs/dbraw/zinc/33/78/70/328337870.db2.gz HXNPWSUJQAZRLQ-CYBMUJFWSA-N 2 0 283.416 0.434 50 0 CCAARP CCC[NH+]1CCC(CCNC(=O)[C@H]2CC[NH2+]2)CC1 ZINC000670450915 545235819 /nfs/dbraw/zinc/23/58/19/545235819.db2.gz FNQJESRQKLTDLL-CYBMUJFWSA-N 2 0 253.390 0.977 50 0 CCAARP Cc1ncc(C[N@H+](C)CC2CC[NH+](CCO)CC2)cn1 ZINC000670459783 545236666 /nfs/dbraw/zinc/23/66/66/545236666.db2.gz RFDFPEDRHXWGKP-UHFFFAOYSA-N 2 0 278.400 0.921 50 0 CCAARP CS(=O)(=O)Nc1ccc([C@H]2C[C@H]([NH3+])CC[NH2+]2)cc1 ZINC000757208867 581686785 /nfs/dbraw/zinc/68/67/85/581686785.db2.gz DZTFKLTVCIFNKK-ZYHUDNBSSA-N 2 0 269.370 0.810 50 0 CCAARP [NH3+][C@@H]1C[NH2+]C[C@H]([C@H]2CC[C@H](C(F)(F)F)NC2)C1 ZINC000757213242 581699523 /nfs/dbraw/zinc/69/95/23/581699523.db2.gz PLIAAMRPHXVDHD-QCLAVDOMSA-N 2 0 251.296 0.854 50 0 CCAARP CCOC(=O)N1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@H]2C[NH2+]C[C@H]23)C1 ZINC000426436536 812805660 /nfs/dbraw/zinc/80/56/60/812805660.db2.gz IPVVUDUTRCQQNM-RGDJUOJXSA-N 2 0 279.384 0.899 50 0 CCAARP CCOC(=O)N1CC[C@@H]([N@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])C1 ZINC000426533763 813977158 /nfs/dbraw/zinc/97/71/58/813977158.db2.gz IGYOKPSGEPRDDS-YVECIDJPSA-N 2 0 267.373 0.886 50 0 CCAARP CCc1nc(CC[NH2+][C@H](C)CN2CC[NH+](C)CC2)no1 ZINC000823576190 821521925 /nfs/dbraw/zinc/52/19/25/821521925.db2.gz TVAFAHFRFVAEFL-GFCCVEGCSA-N 2 0 281.404 0.400 50 0 CCAARP CC(C)[N@@H+]1CC[C@H](C[NH+](C)CCn2cnnc2)C1 ZINC000823690195 821532150 /nfs/dbraw/zinc/53/21/50/821532150.db2.gz NAYZBSKWTZUKHJ-CYBMUJFWSA-N 2 0 251.378 0.940 50 0 CCAARP CN1CC[NH+](CC2(CNc3cc[nH+]cc3)CC2)CC1 ZINC000823789123 821541016 /nfs/dbraw/zinc/54/10/16/821541016.db2.gz JYZNZKOHTPZVON-UHFFFAOYSA-N 2 0 260.385 0.943 50 0 CCAARP Cc1c[nH+]ccc1NCC[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000823789215 821541184 /nfs/dbraw/zinc/54/11/84/821541184.db2.gz RRZFKERIYXQYAW-OAHLLOKOSA-N 3 0 291.443 0.449 50 0 CCAARP C[C@H](O)[C@@H]([NH3+])C(=O)NCC1CC[NH+](C2CCCC2)CC1 ZINC000827511582 821680643 /nfs/dbraw/zinc/68/06/43/821680643.db2.gz WQWDMNJQPKNQAV-SMDDNHRTSA-N 2 0 283.416 0.465 50 0 CCAARP C[C@H](C(=O)NC(N)=O)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000069660473 348857504 /nfs/dbraw/zinc/85/75/04/348857504.db2.gz GRBNOIOIHHTJFJ-LLVKDONJSA-N 2 0 282.388 0.378 50 0 CCAARP C[N@@H+]1CC[C@@H](C(=O)N2CC[NH+](C[C@@H](O)C(C)(C)C)CC2)C1 ZINC000075603845 349040707 /nfs/dbraw/zinc/04/07/07/349040707.db2.gz ZEABNPCPMFQIIB-ZIAGYGMSSA-N 2 0 297.443 0.489 50 0 CCAARP C[NH+](C)C[C@](C)(O)CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000090776329 180038843 /nfs/dbraw/zinc/03/88/43/180038843.db2.gz NYPLLELCFRUTBY-MGPQQGTHSA-N 2 0 255.406 0.515 50 0 CCAARP C[N@H+](CCNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)Cc1ccc(F)cc1 ZINC000237144509 352246498 /nfs/dbraw/zinc/24/64/98/352246498.db2.gz YMVRSBYKSBQAMG-KGLIPLIRSA-N 2 0 295.358 0.097 50 0 CCAARP CN1CC[N@H+](C)C[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC000584904172 359244158 /nfs/dbraw/zinc/24/41/58/359244158.db2.gz NPZUGCALXBQVJB-AWEZNQCLSA-N 2 0 282.432 0.224 50 0 CCAARP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCC(=O)N(C)C)CC1 ZINC000069917495 296181404 /nfs/dbraw/zinc/18/14/04/296181404.db2.gz SJTJHUDCQQHZGC-CYBMUJFWSA-N 2 0 285.432 0.489 50 0 CCAARP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000223424528 295306981 /nfs/dbraw/zinc/30/69/81/295306981.db2.gz MRYGAGWFFATSJE-FRRDWIJNSA-N 2 0 251.374 0.811 50 0 CCAARP C[C@H](O)C[NH+]1CCC(C[NH2+]CCCS(C)(=O)=O)CC1 ZINC000069601572 388950860 /nfs/dbraw/zinc/95/08/60/388950860.db2.gz OISMSKZHGXBPMQ-LBPRGKRZSA-N 2 0 292.445 0.104 50 0 CCAARP O[C@@]1(C[NH2+]CCOCc2ccccc2)CC[NH2+]C1 ZINC000077323080 177252783 /nfs/dbraw/zinc/25/27/83/177252783.db2.gz KBMLMIIWVZDZIV-AWEZNQCLSA-N 2 0 250.342 0.517 50 0 CCAARP C[C@@H]1CCCN(C(=O)CC2CC[NH2+]CC2)[C@@H]1C[NH3+] ZINC000156796738 287328290 /nfs/dbraw/zinc/32/82/90/287328290.db2.gz SYUUABLQJRCFLI-DGCLKSJQSA-N 2 0 253.390 0.962 50 0 CCAARP COc1c2c(c(C[NH3+])c3c1C[N@H+](C)CC3)OCO2 ZINC000011919738 277365470 /nfs/dbraw/zinc/36/54/70/277365470.db2.gz NUQRDSKNHTXKJF-UHFFFAOYSA-N 2 0 250.298 0.871 50 0 biogenic CCAARP CN(C)S(=O)(=O)CCC[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358497571 289235416 /nfs/dbraw/zinc/23/54/16/289235416.db2.gz BWJBGQVQDCCYMA-UHFFFAOYSA-N 2 0 289.445 0.343 50 0 CCAARP O=C(CC[NH+]1CCCCC1)N[C@H]1COC[C@@H]1[NH+]1CCCC1 ZINC000534639470 328335495 /nfs/dbraw/zinc/33/54/95/328335495.db2.gz OJLBODRRTRGUFK-GJZGRUSLSA-N 2 0 295.427 0.842 50 0 CCAARP C[NH+](C)CCN1CC[N@H+](C[C@H]2CCOC2)CCC1=O ZINC000670452493 545236180 /nfs/dbraw/zinc/23/61/80/545236180.db2.gz DSOFLDXCCRFGDZ-CYBMUJFWSA-N 2 0 269.389 0.119 50 0 CCAARP COc1ccc(CNC(C[NH3+])C[NH3+])c(Cl)c1OC ZINC000888095716 617257041 /nfs/dbraw/zinc/25/70/41/617257041.db2.gz XDXFNQPLDIKCJM-UHFFFAOYSA-N 2 0 273.764 0.733 50 0 CCAARP c1nc2c(c(N3CC[N@@H+]4CCC[C@H]4C3)n1)CC[NH2+]C2 ZINC000106719601 631248684 /nfs/dbraw/zinc/24/86/84/631248684.db2.gz LUEPWADPWIEWRO-NSHDSACASA-N 2 0 259.357 0.407 50 0 CCAARP Cc1c[nH]c(C[NH+]2CCC3(CC2)C[NH2+]CCO3)n1 ZINC000426471348 812827025 /nfs/dbraw/zinc/82/70/25/812827025.db2.gz KZHOTAAANHFNGR-UHFFFAOYSA-N 2 0 250.346 0.673 50 0 CCAARP CC(C)[N@@H+]1CC[C@@H](C[NH+](C)CCn2cnnc2)C1 ZINC000823690196 821531722 /nfs/dbraw/zinc/53/17/22/821531722.db2.gz NAYZBSKWTZUKHJ-ZDUSSCGKSA-N 2 0 251.378 0.940 50 0 CCAARP C[NH+](C)CCN1CC[N@@H+]([C@H]2CCSC2)CCC1=O ZINC000823698141 821532898 /nfs/dbraw/zinc/53/28/98/821532898.db2.gz MQFILHHSIDBQRJ-LBPRGKRZSA-N 2 0 271.430 0.588 50 0 CCAARP O=C1CC[C@H]([NH+]2CCC(O)(C[NH+]3CCCC3)CC2)CCN1 ZINC000828305336 821757308 /nfs/dbraw/zinc/75/73/08/821757308.db2.gz IXBJPUKVQCKRRT-AWEZNQCLSA-N 2 0 295.427 0.578 50 0 CCAARP C[NH+](C)Cc1csc(CN2C[C@H](O)[C@@H]([NH+](C)C)C2)c1 ZINC000097660493 185647104 /nfs/dbraw/zinc/64/71/04/185647104.db2.gz JHRJXSITQKEGBU-KBPBESRZSA-N 2 0 283.441 0.916 50 0 CCAARP COc1ccc2[nH]cc(CCNC(=[NH2+])NC(N)=[NH2+])c2c1 ZINC000000054500 347937308 /nfs/dbraw/zinc/93/73/08/347937308.db2.gz XSLFITOXORFPQW-UHFFFAOYSA-N 2 0 274.328 0.726 50 0 biogenic CCAARP C[NH+](C)CCC[NH2+]CCCNC(=O)c1ccco1 ZINC000004476156 347995304 /nfs/dbraw/zinc/99/53/04/347995304.db2.gz YRKBVEKORAYETC-UHFFFAOYSA-N 2 0 253.346 0.941 50 0 CCAARP CC[C@H]([NH3+])C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000166610376 350800367 /nfs/dbraw/zinc/80/03/67/350800367.db2.gz YXIFGJXAZBAKSK-ZNMIVQPWSA-N 2 0 296.459 0.741 50 0 CCAARP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)CCC[NH3+])C[C@H](C)O1 ZINC000237675514 352277668 /nfs/dbraw/zinc/27/76/68/352277668.db2.gz IQAUSBJJLZFRLH-MJBXVCDLSA-N 2 0 283.416 0.826 50 0 CCAARP C[NH+]1CCC(O)(C[NH2+]C2CSCCSC2)CC1 ZINC000584898020 359238495 /nfs/dbraw/zinc/23/84/95/359238495.db2.gz MGTFSNMGQPPCRM-UHFFFAOYSA-N 2 0 276.471 0.881 50 0 CCAARP C[C@@H](O)C[NH+]1CCC(C[NH2+]CCCN2CCCC2=O)CC1 ZINC000069597230 296181767 /nfs/dbraw/zinc/18/17/67/296181767.db2.gz RHXFZTLNFIASKC-CQSZACIVSA-N 2 0 297.443 0.681 50 0 CCAARP Cc1n[nH]c(C)c1CCC[NH2+]C[C@]1(O)CC[NH2+]C1 ZINC000072473338 388964993 /nfs/dbraw/zinc/96/49/93/388964993.db2.gz KLSBFWYSHMLJFR-CYBMUJFWSA-N 2 0 252.362 0.273 50 0 CCAARP CCn1nc(C)c(CC[NH2+]C[C@@]2(O)CC[NH2+]C2)c1C ZINC000072476121 388965295 /nfs/dbraw/zinc/96/52/95/388965295.db2.gz GGZMTXACGQHQDW-AWEZNQCLSA-N 2 0 266.389 0.376 50 0 CCAARP Cn1cc(CCC[N@H+](C)C[C@@]2(O)CCC[NH2+]C2)cn1 ZINC000072478260 388965462 /nfs/dbraw/zinc/96/54/62/388965462.db2.gz IUAMIVOYRDOMJW-CQSZACIVSA-N 2 0 266.389 0.399 50 0 CCAARP C[C@H](O)C[NH+]1CCN(C[C@@H](O)C[NH+]2CCC(C)CC2)CC1 ZINC000069968336 175865380 /nfs/dbraw/zinc/86/53/80/175865380.db2.gz XFLYNNSUXXFBEO-HOTGVXAUSA-N 2 0 299.459 0.078 50 0 CCAARP Cc1cc(N(C)CC2CC[NH+](C[C@@H](C)O)CC2)nc(N)[nH+]1 ZINC000071859545 176279555 /nfs/dbraw/zinc/27/95/55/176279555.db2.gz OJPYMZCAZXVXCB-GFCCVEGCSA-N 2 0 293.415 0.896 50 0 CCAARP O=C([C@@H]1CCC[N@@H+]1C1CCOCC1)N1CC[NH2+]CC1 ZINC000040508176 280086028 /nfs/dbraw/zinc/08/60/28/280086028.db2.gz JADKYEWIWINCLD-ZDUSSCGKSA-N 2 0 267.373 0.062 50 0 CCAARP CCO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)C[NH+](C)C1CCCC1 ZINC000823350083 821515859 /nfs/dbraw/zinc/51/58/59/821515859.db2.gz RTZQCXJJQKXLEU-KBPBESRZSA-N 2 0 283.416 0.696 50 0 CCAARP C[C@H](C(=O)NCC1CC[NH+](C)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000823759316 821535248 /nfs/dbraw/zinc/53/52/48/821535248.db2.gz DFLVMOWDHDLKQJ-HZSPNIEDSA-N 2 0 297.443 0.942 50 0 CCAARP CO[C@H]1C[N@@H+](C(C)C)C[C@@H]1NC(=O)CC1CC[NH2+]CC1 ZINC000824504879 821635570 /nfs/dbraw/zinc/63/55/70/821635570.db2.gz RMOKHTJQIPQCGZ-KBPBESRZSA-N 2 0 283.416 0.600 50 0 CCAARP OC1(C[NH+]2CCCC2)CC[NH+](C[C@H]2CCOC2)CC1 ZINC000828605379 821789692 /nfs/dbraw/zinc/78/96/92/821789692.db2.gz SUQZBSHUETXCDX-CQSZACIVSA-N 2 0 268.401 0.946 50 0 CCAARP C[NH+](C)CCOC1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC000072280926 348919546 /nfs/dbraw/zinc/91/95/46/348919546.db2.gz VCWYQTYLPPKKRC-CQSZACIVSA-N 2 0 296.415 0.287 50 0 CCAARP C[C@H]1CN(CCC[NH+]2CCCCC2)CC[N@@H+]1CCO ZINC000189246166 351661608 /nfs/dbraw/zinc/66/16/08/351661608.db2.gz ICDJMEOIATZISX-HNNXBMFYSA-N 2 0 269.433 0.861 50 0 CCAARP COCC[N@@H+]1CC[C@@H](C(=O)NCCn2cnc(C)c2C)C1 ZINC000244724062 352311662 /nfs/dbraw/zinc/31/16/62/352311662.db2.gz MMWRNLSBOCMWHR-CQSZACIVSA-N 2 0 294.399 0.584 50 0 CCAARP O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000238010795 296063870 /nfs/dbraw/zinc/06/38/70/296063870.db2.gz CLUQTVNEQGJUMM-KGLIPLIRSA-N 2 0 281.400 0.186 50 0 CCAARP C[C@H]([C@H](C)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)n1cccn1 ZINC000229571829 189799792 /nfs/dbraw/zinc/79/97/92/189799792.db2.gz NQVSQZYDAMLVTG-RRFJBIMHSA-N 2 0 295.431 0.031 50 0 CCAARP OCC[NH+]1CCC(C[NH2+]CC2(O)CCCCC2)CC1 ZINC000069513892 285258277 /nfs/dbraw/zinc/25/82/77/285258277.db2.gz DWTGPABDAJEPOJ-UHFFFAOYSA-N 2 0 270.417 0.976 50 0 CCAARP CC[N@@H+]1CCC[C@H](C(=O)NCCc2ncc[nH]2)C1 ZINC000426697308 389677161 /nfs/dbraw/zinc/67/71/61/389677161.db2.gz IDQOAIDYGUWSCQ-NSHDSACASA-N 2 0 250.346 0.800 50 0 CCAARP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000252423433 131134119 /nfs/dbraw/zinc/13/41/19/131134119.db2.gz WLIHDBWUBSTVDV-JHJVBQTASA-N 2 0 269.389 0.090 50 0 CCAARP C[NH2+]CC(=O)NC[C@@H](c1sccc1C)[NH+](C)C ZINC000071405814 176155666 /nfs/dbraw/zinc/15/56/66/176155666.db2.gz ZHHLWVHRPPEXLZ-JTQLQIEISA-N 2 0 255.387 0.995 50 0 CCAARP CN(Cc1ccc2nsnc2c1)C[C@]1(O)CC[NH2+]C1 ZINC000077343321 177254812 /nfs/dbraw/zinc/25/48/12/177254812.db2.gz ZZXCNLYPYKBUEU-ZDUSSCGKSA-N 2 0 278.381 0.848 50 0 CCAARP O=C(NCC[NH2+]C[C@]1(O)CC[NH2+]C1)c1ccccc1Cl ZINC000077454410 177270726 /nfs/dbraw/zinc/27/07/26/177270726.db2.gz BHQLQEKIVUCZIQ-AWEZNQCLSA-N 2 0 297.786 0.384 50 0 CCAARP CC(C)[C@H]([NH3+])C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000195554227 276019810 /nfs/dbraw/zinc/01/98/10/276019810.db2.gz XNRAWGCCVWZPCD-CABCVRRESA-N 2 0 296.459 0.598 50 0 CCAARP O=C(NCC[NH+]1CCC(CO)CC1)[C@H]1CC12CC[NH2+]CC2 ZINC000534578163 328310815 /nfs/dbraw/zinc/31/08/15/328310815.db2.gz LLQKHNNBKPOHRA-CQSZACIVSA-N 2 0 295.427 0.197 50 0 CCAARP COCc1noc(CN[C@@H](C)Cn2ccnc2)n1 ZINC000534659663 328342184 /nfs/dbraw/zinc/34/21/84/328342184.db2.gz ORQPPOQQONWLLJ-VIFPVBQESA-N 2 0 251.290 0.591 50 0 CCAARP C[NH+](C)CCN1CC[N@H+](C[C@H]2CCCCO2)CCC1=O ZINC000670460430 545236816 /nfs/dbraw/zinc/23/68/16/545236816.db2.gz ZWBTVYYAJQIYKY-CQSZACIVSA-N 2 0 283.416 0.651 50 0 CCAARP CCn1cnc([C@@H]([NH3+])C2(O)C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000958528609 615627033 /nfs/dbraw/zinc/62/70/33/615627033.db2.gz WIGRFYUHMKMQFG-IRZOWQPXSA-N 2 0 250.346 0.548 50 0 CCAARP Cc1c[nH+]ccc1N1CCCN(C(=O)[C@H]2C=CC[NH2+]2)CC1 ZINC000952985533 649615043 /nfs/dbraw/zinc/61/50/43/649615043.db2.gz HWEOFRYYFYSPOV-CQSZACIVSA-N 2 0 286.379 0.957 50 0 CCAARP C[C@@H](O)C[NH+]1CCC(C[NH2+]Cc2nnnn2C2CC2)CC1 ZINC000069846487 348863417 /nfs/dbraw/zinc/86/34/17/348863417.db2.gz RYPSHWPGJXQOEF-LLVKDONJSA-N 2 0 294.403 0.190 50 0 CCAARP CCOCC[N@@H+]1CCN(c2cc(C)[nH+]c(N)n2)C[C@@H]1C ZINC000072276342 348919294 /nfs/dbraw/zinc/91/92/94/348919294.db2.gz FULBYKAIDNSUSI-LBPRGKRZSA-N 2 0 279.388 0.914 50 0 CCAARP Cc1cc(C[NH+]2CCC([C@@H]3C[NH2+]C[C@H]3CO)CC2)n(C)n1 ZINC000169789111 350839660 /nfs/dbraw/zinc/83/96/60/350839660.db2.gz YMHCRGUWPCFPAM-HOCLYGCPSA-N 2 0 292.427 0.768 50 0 CCAARP C[C@H](CN1CC[NH+](C)CC1)[NH2+]CCc1noc(C2CC2)n1 ZINC000584903279 359244274 /nfs/dbraw/zinc/24/42/74/359244274.db2.gz WTBUIASCARTMPK-GFCCVEGCSA-N 2 0 293.415 0.715 50 0 CCAARP CC(C)C[NH+]1CCC(NCCS(=O)(=O)N(C)C)CC1 ZINC000067981707 388947676 /nfs/dbraw/zinc/94/76/76/388947676.db2.gz IXRLWQNWPIDTQS-UHFFFAOYSA-N 2 0 291.461 0.588 50 0 CCAARP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000299739827 285394598 /nfs/dbraw/zinc/39/45/98/285394598.db2.gz RQANDDWVSGAEFW-AVGNSLFASA-N 2 0 253.390 0.785 50 0 CCAARP O=C(NCCC[NH+]1CCCCC1)C1CC[NH2+]CC1 ZINC000021952813 171340761 /nfs/dbraw/zinc/34/07/61/171340761.db2.gz DSERYJLMOXIOOG-UHFFFAOYSA-N 2 0 253.390 0.978 50 0 CCAARP O[C@]1(C[NH2+]CCCn2ncc3ccccc32)CC[NH2+]C1 ZINC000077392524 177262782 /nfs/dbraw/zinc/26/27/82/177262782.db2.gz HRZCQNQFBJVKOK-HNNXBMFYSA-N 2 0 274.368 0.740 50 0 CCAARP Cc1ncccc1OC1(C(=O)N2CC([NH3+])C2)CC[NH2+]CC1 ZINC000065508732 293645988 /nfs/dbraw/zinc/64/59/88/293645988.db2.gz DOWAMNLGSIXYHL-UHFFFAOYSA-N 2 0 290.367 0.061 50 0 CCAARP O=C(NCC[NH+]1CCC(CO)CC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000534578162 328310629 /nfs/dbraw/zinc/31/06/29/328310629.db2.gz LLQKHNNBKPOHRA-AWEZNQCLSA-N 2 0 295.427 0.197 50 0 CCAARP CC[C@H]1CCCC[N@@H+]1CC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000670455070 545236314 /nfs/dbraw/zinc/23/63/14/545236314.db2.gz VSQRWUGFDGHWAF-AWEZNQCLSA-N 2 0 297.443 0.824 50 0 CCAARP C[C@H](CCO)[N@@H+]1CCCN(C)C2(CC[NH2+]CC2)C1 ZINC000426522852 812842778 /nfs/dbraw/zinc/84/27/78/812842778.db2.gz IDNNUIQAUWLKDH-CYBMUJFWSA-N 2 0 255.406 0.517 50 0 CCAARP CCOC(=O)N1CC[C@H]([N@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])C1 ZINC000426533762 812842864 /nfs/dbraw/zinc/84/28/64/812842864.db2.gz IGYOKPSGEPRDDS-RNJOBUHISA-N 2 0 267.373 0.886 50 0 CCAARP COCCC[N@@H+]1CC[C@H](CNC(=O)CC2CC[NH2+]CC2)C1 ZINC000824390228 821627014 /nfs/dbraw/zinc/62/70/14/821627014.db2.gz XFUCWQYKDWRNLH-OAHLLOKOSA-N 2 0 297.443 0.851 50 0 CCAARP [NH3+]C[C@H](NC(=O)C[C@H]1COCC[NH2+]1)C1CCCCC1 ZINC000262242163 137033021 /nfs/dbraw/zinc/03/30/21/137033021.db2.gz RPZXNJWHKWIYRK-STQMWFEESA-N 2 0 269.389 0.389 50 0 CCAARP CC[NH+]1CCC([NH2+]CCCN2CCOCC2)CC1 ZINC000002498885 347968167 /nfs/dbraw/zinc/96/81/67/347968167.db2.gz YOLQCJPJCXULOC-UHFFFAOYSA-N 2 0 255.406 0.783 50 0 CCAARP CC[C@H](C)[NH+]1CCC(N2CC[NH+](CCO)CC2)CC1 ZINC000019889075 348072890 /nfs/dbraw/zinc/07/28/90/348072890.db2.gz OEBZZXOLZLNWDK-AWEZNQCLSA-N 2 0 269.433 0.859 50 0 CCAARP Cc1cnc(C[NH2+]CC2CC[NH+](CCO)CC2)cn1 ZINC000075602814 349040911 /nfs/dbraw/zinc/04/09/11/349040911.db2.gz MUFFSBSRFJZENG-UHFFFAOYSA-N 2 0 264.373 0.579 50 0 CCAARP O=C(NC[C@@H]1CN2CCCC[C@H]2CO1)[C@H]1CCC[NH2+]1 ZINC000252586570 352520415 /nfs/dbraw/zinc/52/04/15/352520415.db2.gz QXWRDCQQJLMKFA-YNEHKIRRSA-N 2 0 267.373 0.108 50 0 CCAARP C[NH2+]C[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC000299739809 354042217 /nfs/dbraw/zinc/04/22/17/354042217.db2.gz RNGCSZNATFOLTQ-OLZOCXBDSA-N 2 0 253.390 0.929 50 0 CCAARP Cc1nc2cc(CNC(=O)[C@@H]([NH3+])CCCC[NH3+])ccc2[nH]1 ZINC000299767873 354049565 /nfs/dbraw/zinc/04/95/65/354049565.db2.gz WXPXCMYFTWLISZ-LBPRGKRZSA-N 2 0 289.383 0.944 50 0 CCAARP OC[C@@H](O)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000408409099 358078975 /nfs/dbraw/zinc/07/89/75/358078975.db2.gz SZEVUBPTGZLERW-AWEZNQCLSA-N 2 0 256.390 0.726 50 0 CCAARP C[NH+](C)[C@H]1CCN(C(=O)C[NH+]2CCCCCCC2)C[C@@H]1O ZINC000584897875 359238202 /nfs/dbraw/zinc/23/82/02/359238202.db2.gz CFOVKPNRIJZYBV-GJZGRUSLSA-N 2 0 297.443 0.776 50 0 CCAARP CC[N@H+](C)[C@H](C)CCNc1nc(N)nc2c1CC[NH2+]CC2 ZINC000072418366 388962532 /nfs/dbraw/zinc/96/25/32/388962532.db2.gz FEGCVDBJCZCMSV-LLVKDONJSA-N 2 0 292.431 0.889 50 0 CCAARP [NH3+]CCCN1C(=O)CC[C@H]2C[N@@H+](Cc3cnc[nH]3)CC[C@H]21 ZINC000072432138 388963648 /nfs/dbraw/zinc/96/36/48/388963648.db2.gz DOSLGGPMRHYJLL-GXTWGEPZSA-N 2 0 291.399 0.571 50 0 CCAARP C[NH+]1CCN(c2cc(C(=O)N3CC[C@@H]([NH3+])C3)ccn2)CC1 ZINC000237236773 389185189 /nfs/dbraw/zinc/18/51/89/389185189.db2.gz SZODXXYYPRWHLF-CYBMUJFWSA-N 2 0 289.383 0.007 50 0 CCAARP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000262568982 389289130 /nfs/dbraw/zinc/28/91/30/389289130.db2.gz AXYTUHCTDNZWJR-QWHCGFSZSA-N 2 0 253.390 0.929 50 0 CCAARP O[C@]1(C[NH2+]CCOCc2ccccc2)CC[NH2+]C1 ZINC000077323081 177252941 /nfs/dbraw/zinc/25/29/41/177252941.db2.gz KBMLMIIWVZDZIV-CQSZACIVSA-N 2 0 250.342 0.517 50 0 CCAARP CC1(C)[NH2+]CC[C@H]1NC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000335347297 281397668 /nfs/dbraw/zinc/39/76/68/281397668.db2.gz YEIQCQZGTWGOKD-WDEREUQCSA-N 2 0 251.374 0.633 50 0 CCAARP CC1CC[NH+](CC(=O)N2CCOC[C@H](C[NH+](C)C)C2)CC1 ZINC000670464074 545236791 /nfs/dbraw/zinc/23/67/91/545236791.db2.gz MVUWETRYQSIZDD-OAHLLOKOSA-N 2 0 297.443 0.755 50 0 CCAARP COCC[C@@H]1CCC[N@H+](CC(=O)N2CC[NH2+]CC2)C1 ZINC000670474114 545237438 /nfs/dbraw/zinc/23/74/38/545237438.db2.gz BVTQDNFDACXZGO-ZDUSSCGKSA-N 2 0 269.389 0.167 50 0 CCAARP [NH3+][C@@H]1C[NH2+]C[C@H]([C@@H]2CC[C@@H](C(F)(F)F)NC2)C1 ZINC000757213240 581699458 /nfs/dbraw/zinc/69/94/58/581699458.db2.gz PLIAAMRPHXVDHD-IMSYWVGJSA-N 2 0 251.296 0.854 50 0 CCAARP C[NH+]1CCC(NC(=O)CN2CC[N@@H+]3CCCC[C@H]3C2)CC1 ZINC000878253164 616173098 /nfs/dbraw/zinc/17/30/98/616173098.db2.gz ISZVJAFLLOIGCV-HNNXBMFYSA-N 2 0 294.443 0.367 50 0 CCAARP [NH3+][C@H](c1ccnn1C1CCC1)C1(O)CC[NH2+]CC1 ZINC000958528703 631406113 /nfs/dbraw/zinc/40/61/13/631406113.db2.gz ZPTFAEBURYXJBV-GFCCVEGCSA-N 2 0 250.346 0.722 50 0 CCAARP OC1(C[NH+]2CCCC2)CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000828605377 821789522 /nfs/dbraw/zinc/78/95/22/821789522.db2.gz SUQZBSHUETXCDX-AWEZNQCLSA-N 2 0 268.401 0.946 50 0 CCAARP COC[C@@H]1[C@H](C(=O)NCCC[NH+]2CCCC2)CCC[N@@H+]1C ZINC000581813314 822279715 /nfs/dbraw/zinc/27/97/15/822279715.db2.gz VNPUFMXJOVZWJO-HUUCEWRRSA-N 2 0 297.443 0.945 50 0 CCAARP C[n+]1cccc(NC(=O)NC(=O)c2ccc[n+](C)c2)c1 ZINC000000283765 347943980 /nfs/dbraw/zinc/94/39/80/347943980.db2.gz SICNUNHNGPLHDP-UHFFFAOYSA-P 2 0 272.308 0.298 50 0 CCAARP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C[NH3+])C2)c(C)c1 ZINC000036463097 348167832 /nfs/dbraw/zinc/16/78/32/348167832.db2.gz PJUQIBBTNWHSNF-CQSZACIVSA-N 2 0 261.369 0.953 50 0 CCAARP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)CC2CC2)C1 ZINC000052127967 348505822 /nfs/dbraw/zinc/50/58/22/348505822.db2.gz TYQFMDXYXYIHOU-OAHLLOKOSA-N 2 0 297.443 0.801 50 0 CCAARP CN(C)Cc1nnc([C@H]2C[C@@H]([NH2+]C3CCOCC3)C2)n1C ZINC000244795978 352312868 /nfs/dbraw/zinc/31/28/68/352312868.db2.gz RQRWFKJMJRNTPL-BJHJDKERSA-N 2 0 293.415 0.891 50 0 CCAARP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]CCc1noc(C2CC2)n1 ZINC000584903280 359244539 /nfs/dbraw/zinc/24/45/39/359244539.db2.gz WTBUIASCARTMPK-LBPRGKRZSA-N 2 0 293.415 0.715 50 0 CCAARP O[C@]1(C[NH2+]CCCn2nccc2C2CC2)CCC[NH2+]C1 ZINC000072456571 388964704 /nfs/dbraw/zinc/96/47/04/388964704.db2.gz MFAYZGDSWLVJEU-OAHLLOKOSA-N 2 0 278.400 0.855 50 0 CCAARP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000262568980 389288840 /nfs/dbraw/zinc/28/88/40/389288840.db2.gz AXYTUHCTDNZWJR-CHWSQXEVSA-N 2 0 253.390 0.929 50 0 CCAARP Cc1nc(N2CCC([NH+]3CCC(O)CC3)CC2)cc(N)[nH+]1 ZINC000091410465 135069393 /nfs/dbraw/zinc/06/93/93/135069393.db2.gz KBEFKGSERPLPMY-UHFFFAOYSA-N 2 0 291.399 0.793 50 0 CCAARP CC(C)C[NH+]1CCC(N2CC[NH+](CCO)CC2)CC1 ZINC000032580860 277383065 /nfs/dbraw/zinc/38/30/65/277383065.db2.gz JOMXKDOFAFRLPS-UHFFFAOYSA-N 2 0 269.433 0.717 50 0 CCAARP O=C([C@H]1C[NH2+]CCO1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000188151861 280143926 /nfs/dbraw/zinc/14/39/26/280143926.db2.gz KSAIENFZWKDDPJ-CQSZACIVSA-N 2 0 281.400 0.452 50 0 CCAARP C[NH+](C)C[C@](C)(O)CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000253393930 289222904 /nfs/dbraw/zinc/22/29/04/289222904.db2.gz NYPLLELCFRUTBY-HZSPNIEDSA-N 2 0 255.406 0.515 50 0 CCAARP C[C@H](CCN(C)C(=O)c1cn(CC[NH3+])nn1)[NH+]1CCCC1 ZINC000077320321 289467324 /nfs/dbraw/zinc/46/73/24/289467324.db2.gz UQOZZWNUDUBWFS-GFCCVEGCSA-N 2 0 294.403 0.183 50 0 CCAARP C[NH+](C)CCN1CC[N@H+](C[C@@H]2CCOC2)CCC1=O ZINC000670452494 545236193 /nfs/dbraw/zinc/23/61/93/545236193.db2.gz DSOFLDXCCRFGDZ-ZDUSSCGKSA-N 2 0 269.389 0.119 50 0 CCAARP OC[C@@H]1CCC[N@H+](CCC[NH2+]C[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000952987374 649614903 /nfs/dbraw/zinc/61/49/03/649614903.db2.gz MEVCXELEBQYTKX-TUVASFSCSA-N 3 0 267.417 0.136 50 0 CCAARP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc[nH]n1 ZINC000125588344 350125276 /nfs/dbraw/zinc/12/52/76/350125276.db2.gz QCIMZMGNVFTEPG-ZDUSSCGKSA-N 2 0 293.415 0.898 50 0 CCAARP CC[C@H]([NH3+])C(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000299752476 354046476 /nfs/dbraw/zinc/04/64/76/354046476.db2.gz UFVOFQIGEOBOJB-KKUMJFAQSA-N 2 0 291.395 0.475 50 0 CCAARP C[NH+]1CCC(O)(CNC(=O)C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000584903709 359244196 /nfs/dbraw/zinc/24/41/96/359244196.db2.gz WKXZLHGGQMAWSY-ZDUSSCGKSA-N 2 0 283.416 0.434 50 0 CCAARP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[C@@H]2[NH3+])C1 ZINC000299738528 284346656 /nfs/dbraw/zinc/34/66/56/284346656.db2.gz BYYFCJOPRSAGSS-AVGNSLFASA-N 2 0 253.390 0.914 50 0 CCAARP Cc1nc(CC[NH2+]C[C@]2(O)CC[NH2+]C2)nc2c1CCC2 ZINC000072458943 388965068 /nfs/dbraw/zinc/96/50/68/388965068.db2.gz HBOBPFKACYEGNM-OAHLLOKOSA-N 2 0 276.384 0.130 50 0 CCAARP CC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH2+]CCOC)[C@@H](C)C1 ZINC000236846559 285366878 /nfs/dbraw/zinc/36/68/78/285366878.db2.gz CGTGPUFEEGDMNX-QWHCGFSZSA-N 2 0 271.405 0.411 50 0 CCAARP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000299739826 285394601 /nfs/dbraw/zinc/39/46/01/285394601.db2.gz RQANDDWVSGAEFW-AGIUHOORSA-N 2 0 253.390 0.785 50 0 CCAARP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCN2CCCC2=O)CC1 ZINC000069901431 287085891 /nfs/dbraw/zinc/08/58/91/287085891.db2.gz JBQVXGIAGMVVOC-CQSZACIVSA-N 2 0 297.443 0.633 50 0 CCAARP C[C@@H]1CN(C(=O)[C@H](C[NH3+])c2ccccc2)C[C@H](C)[NH2+]1 ZINC000247324613 296888265 /nfs/dbraw/zinc/88/82/65/296888265.db2.gz TVTYVJRLAZINPH-MBNYWOFBSA-N 2 0 261.369 0.938 50 0 CCAARP Nc1nc(NCC[NH+]2CCCC2)cc(C2CC([NH3+])C2)n1 ZINC000222224162 544819326 /nfs/dbraw/zinc/81/93/26/544819326.db2.gz WSAPDHYCDIHOKV-UHFFFAOYSA-N 2 0 276.388 0.771 50 0 CCAARP C[C@@H]1CN(C(=O)c2ccc3c(c2)CC[NH2+]CC3)CC[NH2+]1 ZINC000295080421 288038342 /nfs/dbraw/zinc/03/83/42/288038342.db2.gz RZTMTFOZNBFECI-GFCCVEGCSA-N 2 0 273.380 0.809 50 0 CCAARP [NH3+]C[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2)C1 ZINC000864096849 645172452 /nfs/dbraw/zinc/17/24/52/645172452.db2.gz KCNMCRQKHFOQHF-STQMWFEESA-N 2 0 250.342 0.707 50 0 CCAARP [NH3+][C@H](Cc1c(F)cccc1F)C1(O)CC[NH2+]CC1 ZINC000958528642 649810374 /nfs/dbraw/zinc/81/03/74/649810374.db2.gz RDQSKXLUTRMHEG-GFCCVEGCSA-N 2 0 256.296 0.949 50 0 CCAARP CC1(C)[C@H]([NH2+]CCN2CCCC2=O)[C@H]2CCC[NH2+][C@H]21 ZINC000693665740 791673962 /nfs/dbraw/zinc/67/39/62/791673962.db2.gz GAMLYKLRAHUBKM-IACUBPJLSA-N 2 0 265.401 0.975 50 0 CCAARP CCc1nccn1C[C@@H](C)[NH2+]CCN1CC[NH2+]CC1 ZINC000426530937 812841943 /nfs/dbraw/zinc/84/19/43/812841943.db2.gz RRQUQXLXYGZXJZ-CYBMUJFWSA-N 2 0 265.405 0.329 50 0 CCAARP [NH3+][C@H]1CCN(c2nc(-c3cccnc3)nc3c2CC[NH2+]C3)C1 ZINC000071754722 348910351 /nfs/dbraw/zinc/91/03/51/348910351.db2.gz JEULWIVPWHTJOR-LBPRGKRZSA-N 2 0 296.378 0.722 50 0 CCAARP C[C@H](Cn1cccn1)[NH2+]CC1(N(C)C)CC[NH+](C)CC1 ZINC000584888222 359228049 /nfs/dbraw/zinc/22/80/49/359228049.db2.gz PIVCDMUIVPMQIW-CQSZACIVSA-N 2 0 279.432 0.887 50 0 CCAARP Cc1ncc(C[NH+]2CCC(CO)(C[NH+](C)C)CC2)cn1 ZINC000584897815 359238187 /nfs/dbraw/zinc/23/81/87/359238187.db2.gz YXFULBZDWXTHRL-UHFFFAOYSA-N 2 0 278.400 0.921 50 0 CCAARP C[C@@H]1CN(C(=O)CN(C)Cc2ccccc2)CC[NH2+]1 ZINC000188365667 388926278 /nfs/dbraw/zinc/92/62/78/388926278.db2.gz PBXHWIZOUJZFMK-CYBMUJFWSA-N 2 0 261.369 0.939 50 0 CCAARP O=C(NCC[NH2+]C[C@@]1(O)CCC[NH2+]C1)c1ccc(F)cc1 ZINC000072418296 388962528 /nfs/dbraw/zinc/96/25/28/388962528.db2.gz OFTBGVCLEPYVJA-OAHLLOKOSA-N 2 0 295.358 0.260 50 0 CCAARP Cc1cc(N(C)C)nc(N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)n1 ZINC000106906078 389095054 /nfs/dbraw/zinc/09/50/54/389095054.db2.gz PPSOJJOAYZYLJI-STQMWFEESA-N 2 0 293.415 0.742 50 0 CCAARP O=C(CC1CC[NH2+]CC1)N1CC[NH+](C2CCOCC2)CC1 ZINC000430773930 389824541 /nfs/dbraw/zinc/82/45/41/389824541.db2.gz XUNQTYYPZCVNKP-UHFFFAOYSA-N 2 0 295.427 0.699 50 0 CCAARP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000299739828 285392664 /nfs/dbraw/zinc/39/26/64/285392664.db2.gz RQANDDWVSGAEFW-UPJWGTAASA-N 2 0 253.390 0.785 50 0 CCAARP O=C(CC[NH2+]C[C@]1(O)CC[NH2+]C1)Nc1ccccc1 ZINC000077375881 177260736 /nfs/dbraw/zinc/26/07/36/177260736.db2.gz SHRWNQUUCCWPNF-CQSZACIVSA-N 2 0 263.341 0.329 50 0 CCAARP CC[C@H](C(=O)NCC[NH+]1CCC(OC)CC1)[NH+](C)C ZINC000084718730 544493689 /nfs/dbraw/zinc/49/36/89/544493689.db2.gz BGMNUVSLHVNYJG-CYBMUJFWSA-N 2 0 271.405 0.554 50 0 CCAARP COCC[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC000136158071 544637560 /nfs/dbraw/zinc/63/75/60/544637560.db2.gz PBJHFAHSCYUWCU-HNNXBMFYSA-N 2 0 297.443 0.803 50 0 CCAARP CCS(=O)(=O)NCC[N@H+](C)CC1CC[NH+](C)CC1 ZINC000071915660 280021875 /nfs/dbraw/zinc/02/18/75/280021875.db2.gz NXGDNSIAHCXJLO-UHFFFAOYSA-N 2 0 277.434 0.199 50 0 CCAARP Cc1ncn(CC[NH2+][C@H](C)CN2CC[NH+](C)CC2)c1C ZINC000670444651 545235517 /nfs/dbraw/zinc/23/55/17/545235517.db2.gz ZHPXSPKSCASJSA-CYBMUJFWSA-N 2 0 279.432 0.725 50 0 CCAARP [NH3+][C@@H]1C[NH2+]CC[C@@H]1[C@H]1CC[C@@H](C(F)(F)F)NC1 ZINC000757215684 581699286 /nfs/dbraw/zinc/69/92/86/581699286.db2.gz WYYGDDNDDMKZKV-JLIMGVALSA-N 2 0 251.296 0.854 50 0 CCAARP CC[NH+]1CCN(CC(=O)NC[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000952975442 615155321 /nfs/dbraw/zinc/15/53/21/615155321.db2.gz ZINCFIIXIXILDY-OAHLLOKOSA-N 2 0 296.459 0.613 50 0 CCAARP CCC[NH+]1CCN(CN2CC[NH+](CCC)CC2)CC1 ZINC000725377880 811346511 /nfs/dbraw/zinc/34/65/11/811346511.db2.gz DUBADPIEVWTQDM-UHFFFAOYSA-N 2 0 268.449 0.999 50 0 CCAARP O=C(C[NH+]1CCCC1)NCCC[N@H+]1CCCC[C@H]1CO ZINC000828711011 821810019 /nfs/dbraw/zinc/81/00/19/821810019.db2.gz YBTMZGOGEMDZQG-AWEZNQCLSA-N 2 0 283.416 0.435 50 0 CCAARP C[C@@](O)(C[NH3+])CN1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000952878043 841582722 /nfs/dbraw/zinc/58/27/22/841582722.db2.gz XXUZFUOJGYLBGP-QLFBSQMISA-N 2 0 263.385 0.370 50 0 CCAARP NC(=[NH2+])NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000058157785 348621731 /nfs/dbraw/zinc/62/17/31/348621731.db2.gz ZDGMFFRWJJRBMU-UHFFFAOYSA-N 2 0 261.373 0.287 50 0 CCAARP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)N2CCCC2)CC1 ZINC000069773469 348860303 /nfs/dbraw/zinc/86/03/03/348860303.db2.gz YHVGEJRRUDGZFZ-AWEZNQCLSA-N 2 0 297.443 0.633 50 0 CCAARP O=C1OCC2(CC[NH+](Cc3cc4n(n3)CC[NH2+]C4)CC2)O1 ZINC000072171395 348915934 /nfs/dbraw/zinc/91/59/34/348915934.db2.gz ZERFPVQHGQHVBH-UHFFFAOYSA-N 2 0 292.339 0.488 50 0 CCAARP C[NH+](C)CCCn1ccnc1-c1cc2n(n1)CC[NH2+]C2 ZINC000072477561 348922225 /nfs/dbraw/zinc/92/22/25/348922225.db2.gz MAGHLAGCPQOORR-UHFFFAOYSA-N 2 0 274.372 0.802 50 0 CCAARP O=C(CC[NH2+]CC1CC[NH+](CCO)CC1)NC1CCCC1 ZINC000075602807 349041030 /nfs/dbraw/zinc/04/10/30/349041030.db2.gz NELXNXKSTLTIRJ-UHFFFAOYSA-N 2 0 297.443 0.729 50 0 CCAARP C[N@H+](CCNC(=O)[C@H]1C[C@H](O)C[NH2+]1)Cc1ccc(F)cc1 ZINC000277748433 353263363 /nfs/dbraw/zinc/26/33/63/353263363.db2.gz YMVRSBYKSBQAMG-UONOGXRCSA-N 2 0 295.358 0.097 50 0 CCAARP CC12CN3CC(C[N@H+](C1)CC3)[C@]2(O)C[NH+]1CCCCC1 ZINC000022457830 388797241 /nfs/dbraw/zinc/79/72/41/388797241.db2.gz FPSGWWDBEHGUOF-UYSNPLJNSA-N 2 0 279.428 0.471 50 0 CCAARP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000245338800 389205439 /nfs/dbraw/zinc/20/54/39/389205439.db2.gz OOYKXOOZFXQUPT-MRLBHPIUSA-N 2 0 297.443 0.941 50 0 CCAARP C[NH+](C)CCC[NH2+]CCCNC(=O)c1ccccn1 ZINC000002235577 169782819 /nfs/dbraw/zinc/78/28/19/169782819.db2.gz ZNYTXVCMDSUCAP-UHFFFAOYSA-N 2 0 264.373 0.743 50 0 CCAARP O[C@@]1(C[NH2+]CCc2nc3c(s2)CCCC3)CC[NH2+]C1 ZINC000077355575 177256286 /nfs/dbraw/zinc/25/62/86/177256286.db2.gz XHWMPUSPXUMWEJ-CQSZACIVSA-N 2 0 281.425 0.878 50 0 CCAARP C[C@@H]1OCCN(C(=[NH2+])NC(N)=[NH2+])[C@@H]1c1ccccc1 ZINC000019898969 279040624 /nfs/dbraw/zinc/04/06/24/279040624.db2.gz SKTDEDLUEZMIRA-ONGXEEELSA-N 2 0 261.329 0.866 50 0 CCAARP C[NH+]1CCC(OCCC[NH2+][C@H]2CCS(=O)(=O)C2)CC1 ZINC000534575984 328309777 /nfs/dbraw/zinc/30/97/77/328309777.db2.gz BWCYMXBNBNYRMZ-LBPRGKRZSA-N 2 0 290.429 0.264 50 0 CCAARP CN(CC[NH+]1CCCCCC1)C(=O)[C@H]1C=CC[NH2+]1 ZINC000534587458 328316133 /nfs/dbraw/zinc/31/61/33/328316133.db2.gz NJXUWYDDBBUIDS-CYBMUJFWSA-N 2 0 251.374 0.849 50 0 CCAARP [NH3+][C@@H]1CC[NH2+]C[C@@H]1[C@H]1CC[C@@H](C(F)(F)F)NC1 ZINC000757213074 581699123 /nfs/dbraw/zinc/69/91/23/581699123.db2.gz NTUKAYAABLRJOS-JLIMGVALSA-N 2 0 251.296 0.854 50 0 CCAARP CSCC[C@@H]([NH3+])C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000131198945 350267396 /nfs/dbraw/zinc/26/73/96/350267396.db2.gz KCTBIUJZTDGPME-GFCCVEGCSA-N 2 0 273.446 0.867 50 0 CCAARP COCCCNC1=[NH+][C@H]2CCN(C2)C12CC[NH2+]CC2 ZINC000169676294 188661997 /nfs/dbraw/zinc/66/19/97/188661997.db2.gz DVWWDUWFEBWRHQ-LBPRGKRZSA-N 2 0 266.389 0.221 50 0 CCAARP C[C@]1(CC2=[NH+]CCN2)OC[C@H](C[NH+]2CCCCC2)O1 ZINC000012321014 291377668 /nfs/dbraw/zinc/37/76/68/291377668.db2.gz GGDSWLXRWLVKQE-JSGCOSHPSA-N 2 0 267.373 0.996 50 0 CCAARP CN(C)C(=O)C[N@@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC000242722943 389202806 /nfs/dbraw/zinc/20/28/06/389202806.db2.gz XZBQJOFEERYSQE-ZDUSSCGKSA-N 2 0 253.390 0.929 50 0 CCAARP C[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)[C@@H]1C[NH3+] ZINC000156955755 287328055 /nfs/dbraw/zinc/32/80/55/287328055.db2.gz LSNLAMFYNNCNIW-DGCLKSJQSA-N 2 0 253.390 0.914 50 0 CCAARP C[C@H]1CCCN(C(=O)CC2CC[NH2+]CC2)[C@@H]1C[NH3+] ZINC000156796866 278339368 /nfs/dbraw/zinc/33/93/68/278339368.db2.gz SYUUABLQJRCFLI-WCQYABFASA-N 2 0 253.390 0.962 50 0 CCAARP O=C([C@H]1C=CC[NH2+]1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000534670028 328347045 /nfs/dbraw/zinc/34/70/45/328347045.db2.gz OYDUBGCCRIIUMV-CYBMUJFWSA-N 2 0 258.325 0.258 50 0 CCAARP Cn1c(CC[NH3+])nnc1SC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000426479737 534682724 /nfs/dbraw/zinc/68/27/24/534682724.db2.gz MFEKOMPFFCJRFV-ZJUUUORDSA-N 2 0 269.418 0.926 50 0 CCAARP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]CCCn1ccccc1=O ZINC000670442555 545235301 /nfs/dbraw/zinc/23/53/01/545235301.db2.gz TUWUTOSTOTYWNU-HNNXBMFYSA-N 2 0 292.427 0.464 50 0 CCAARP CC[N@@H+]1CCC[C@@H]1CSc1nnc(C[NH3+])n1C ZINC000426440319 812806664 /nfs/dbraw/zinc/80/66/64/812806664.db2.gz QSGRDFROIVOUPD-SECBINFHSA-N 2 0 255.391 0.850 50 0 CCAARP C[N@@H+]1CC[C@@](C)(C(=O)NCC2CC[NH+](CCCO)CC2)C1 ZINC000828752928 821828844 /nfs/dbraw/zinc/82/88/44/821828844.db2.gz RFKIURWRORNBJH-MRXNPFEDSA-N 2 0 297.443 0.539 50 0 CCAARP C/C=C/C[N@@H+]1CCC2(CC[NH+](CCO)CC2)[C@H](CO)C1 ZINC000219629115 839588124 /nfs/dbraw/zinc/58/81/24/839588124.db2.gz QKXMWQIJVIDGBJ-FAAWYNLUSA-N 2 0 282.428 0.951 50 0 CCAARP Cc1cc(C(=O)N[C@@H]2CC[C@@H]([NH3+])C2)n(CC[NH+](C)C)n1 ZINC000067654717 348780516 /nfs/dbraw/zinc/78/05/16/348780516.db2.gz ZPNAMMZVDYMOGJ-VXGBXAGGSA-N 2 0 279.388 0.363 50 0 CCAARP CC[NH+]1CCN([C@H]2CC[N@H+](CCC(=O)NC(C)C)C2)CC1 ZINC000089977310 349418087 /nfs/dbraw/zinc/41/80/87/349418087.db2.gz IELIJTAYYVFTJU-HNNXBMFYSA-N 2 0 296.459 0.613 50 0 CCAARP O=C(NC[C@@H]1CN2CCCC[C@@H]2CO1)[C@H]1CCC[NH2+]1 ZINC000252586569 352520379 /nfs/dbraw/zinc/52/03/79/352520379.db2.gz QXWRDCQQJLMKFA-JHJVBQTASA-N 2 0 267.373 0.108 50 0 CCAARP CC(=O)NC(C)(C)C[C@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000584899749 359240563 /nfs/dbraw/zinc/24/05/63/359240563.db2.gz LRKRTLLLXRWKBZ-LBPRGKRZSA-N 2 0 285.432 0.726 50 0 CCAARP COc1ccc(CSCCNC(=[NH2+])NC(N)=[NH2+])cc1 ZINC000004311141 388758857 /nfs/dbraw/zinc/75/88/57/388758857.db2.gz URUOLLLBIFNIJU-UHFFFAOYSA-N 2 0 281.385 0.936 50 0 CCAARP CC[C@@H]1CN(c2cc(C)[nH+]c(N)n2)CC[N@@H+]1CCOC ZINC000075128544 388982912 /nfs/dbraw/zinc/98/29/12/388982912.db2.gz ILRHDHUBVDBXKN-GFCCVEGCSA-N 2 0 279.388 0.914 50 0 CCAARP Cn1cc(C[NH2+]CC2CC[NH+](CCO)CC2)cn1 ZINC000071870956 176284034 /nfs/dbraw/zinc/28/40/34/176284034.db2.gz GCDITXKHZSZTEC-UHFFFAOYSA-N 2 0 252.362 0.214 50 0 CCAARP Cc1nc(CC[NH2+]C[C@]2(O)CC[NH2+]C2)nc2c1CCCC2 ZINC000072411803 176398934 /nfs/dbraw/zinc/39/89/34/176398934.db2.gz XAPOARKVIOIWFZ-MRXNPFEDSA-N 2 0 290.411 0.520 50 0 CCAARP CCOCC[N@@H+]1CCCN(C)C2(CC[NH2+]CC2)C1 ZINC000534644119 328330011 /nfs/dbraw/zinc/33/00/11/328330011.db2.gz ZILWGLBZUBMRSU-UHFFFAOYSA-N 2 0 255.406 0.783 50 0 CCAARP O=C(N[C@@H]1C[NH2+]C[C@H]1O)C1CC[NH+](C2CCCC2)CC1 ZINC000534662642 328350364 /nfs/dbraw/zinc/35/03/64/328350364.db2.gz AFTYINCWVKKVBL-ZIAGYGMSSA-N 2 0 281.400 0.090 50 0 CCAARP [NH3+][C@@H]1CC[C@H](C(=O)N2CCC([NH+]3CCC(O)CC3)CC2)C1 ZINC000534675318 328355961 /nfs/dbraw/zinc/35/59/61/328355961.db2.gz XBBQBCPCPBEPBF-QWHCGFSZSA-N 2 0 295.427 0.562 50 0 CCAARP CS(=O)(=O)Nc1ccc([C@@H]2C[C@H]([NH3+])CC[NH2+]2)cc1 ZINC000757208860 581686988 /nfs/dbraw/zinc/68/69/88/581686988.db2.gz DZTFKLTVCIFNKK-PWSUYJOCSA-N 2 0 269.370 0.810 50 0 CCAARP CO[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CC1CC[NH+](C(C)C)CC1 ZINC000952965892 616657709 /nfs/dbraw/zinc/65/77/09/616657709.db2.gz CKOQUSQMDBCCOW-LSDHHAIUSA-N 2 0 297.443 0.990 50 0 CCAARP C[NH+](C)CCN1CC[N@@H+]([C@@H]2CCSC2)CCC1=O ZINC000823698140 821533232 /nfs/dbraw/zinc/53/32/32/821533232.db2.gz MQFILHHSIDBQRJ-GFCCVEGCSA-N 2 0 271.430 0.588 50 0 CCAARP CC1(C)CC([NH2+]CCc2nc(N)n[nH]2)CC(C)(C)[NH2+]1 ZINC000827547418 821682708 /nfs/dbraw/zinc/68/27/08/821682708.db2.gz XTFIGRQOLUYVCQ-UHFFFAOYSA-N 2 0 266.393 0.828 50 0 CCAARP O=C(CC1CC[NH2+]CC1)N[C@H]1COC[C@@H]1[NH+]1CCCC1 ZINC000828038966 821725696 /nfs/dbraw/zinc/72/56/96/821725696.db2.gz RROVBYGMNLTULX-KBPBESRZSA-N 2 0 281.400 0.356 50 0 CCAARP CC[NH+]1CCC(C[NH2+][C@H](C)CCO)(N(C)C)CC1 ZINC000828741529 821823327 /nfs/dbraw/zinc/82/33/27/821823327.db2.gz KTFFBYFSCXMIGO-CYBMUJFWSA-N 2 0 257.422 0.763 50 0 CCAARP CC[NH+]1CCC(N2CC[C@H](CO)[C@H]([NH+](C)C)C2)CC1 ZINC000581799182 822278227 /nfs/dbraw/zinc/27/82/27/822278227.db2.gz LJKNCBPDZDLDKT-UKRRQHHQSA-N 2 0 269.433 0.715 50 0 CCAARP C[N@@H+]1CC[C@@](C)(C(=O)NCC2CC[NH+](CCO)CC2)C1 ZINC000952870073 841574127 /nfs/dbraw/zinc/57/41/27/841574127.db2.gz RIGPOKFONWBXOI-OAHLLOKOSA-N 2 0 283.416 0.149 50 0 CCAARP O=C1OCCN1CC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000069028777 348828999 /nfs/dbraw/zinc/82/89/99/348828999.db2.gz LJZBBNHRDLOFHD-UHFFFAOYSA-N 2 0 297.399 0.483 50 0 CCAARP CC[NH+]1CCN([C@@H]2CC[N@H+](CCC(=O)NC(C)C)C2)CC1 ZINC000089977309 349418166 /nfs/dbraw/zinc/41/81/66/349418166.db2.gz IELIJTAYYVFTJU-OAHLLOKOSA-N 2 0 296.459 0.613 50 0 CCAARP CC(C)C(=O)NCCNc1cc(C2CC([NH3+])C2)nc(N)n1 ZINC000223612628 351988208 /nfs/dbraw/zinc/98/82/08/351988208.db2.gz PBMYLGBJACKVRF-UHFFFAOYSA-N 2 0 292.387 0.448 50 0 CCAARP C[NH+](C)CCCOC1CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000237102421 352242998 /nfs/dbraw/zinc/24/29/98/352242998.db2.gz FZNBWMLJNQZIIE-AWEZNQCLSA-N 2 0 283.416 0.698 50 0 CCAARP CN(CCn1ccnc1)Cc1nnc([C@H]2C[C@H]([NH3+])C2)n1C ZINC000244724146 352311754 /nfs/dbraw/zinc/31/17/54/352311754.db2.gz MOMKROMMHGTGRH-HAQNSBGRSA-N 3 0 289.387 0.348 50 0 CCAARP C[NH2+]C[C@H]1CCN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000178408829 189114004 /nfs/dbraw/zinc/11/40/04/189114004.db2.gz UMHXWZMTSYYSBF-IUODEOHRSA-N 2 0 273.380 0.769 50 0 CCAARP C[NH+](C)C1(CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)CCCCC1 ZINC000040803392 388855420 /nfs/dbraw/zinc/85/54/20/388855420.db2.gz OLOZPIUFZGBPPZ-VXGBXAGGSA-N 2 0 269.389 0.090 50 0 CCAARP O[C@]1(C[NH2+]CCc2ccc3c(c2)OCO3)CCC[NH2+]C1 ZINC000072463592 388965013 /nfs/dbraw/zinc/96/50/13/388965013.db2.gz DTHLIBSXDXXFGP-OAHLLOKOSA-N 2 0 278.352 0.662 50 0 CCAARP Cn1ccnc1CCC[N@H+](C)C[C@]1(O)CCC[NH2+]C1 ZINC000072479274 388965514 /nfs/dbraw/zinc/96/55/14/388965514.db2.gz HMCMFLZSXLZSEH-AWEZNQCLSA-N 2 0 266.389 0.399 50 0 CCAARP C[NH+](C)[C@H](CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)c1ccc(F)cc1 ZINC000237196440 389184488 /nfs/dbraw/zinc/18/44/88/389184488.db2.gz NYJVUNQXWJTULM-HZSPNIEDSA-N 2 0 295.358 0.267 50 0 CCAARP Cc1nc(N2CCN(CC[NH+]3CCCC3)CC2)cc(N)[nH+]1 ZINC000091915425 135074430 /nfs/dbraw/zinc/07/44/30/135074430.db2.gz JZUDUEDYYYEMKZ-UHFFFAOYSA-N 2 0 290.415 0.585 50 0 CCAARP C[NH+](C)CCCNC(=S)C(=S)NCCC[NH+](C)C ZINC000005688787 170129442 /nfs/dbraw/zinc/12/94/42/170129442.db2.gz OOGWLZNMIJTRFD-UHFFFAOYSA-N 2 0 290.502 0.724 50 0 CCAARP O[C@]1(C[NH+]2CCC(OCc3cccnc3)CC2)CC[NH2+]C1 ZINC000072409998 176398496 /nfs/dbraw/zinc/39/84/96/176398496.db2.gz UXRXEWLKQLTLKS-MRXNPFEDSA-N 2 0 291.395 0.787 50 0 CCAARP Cc1[nH+]c(N(C)C)nc(NC[C@@H]2CC[NH2+]C[C@H]2O)c1C ZINC000534577697 420410584 /nfs/dbraw/zinc/41/05/84/420410584.db2.gz FIVHJGMJLPAIPQ-NWDGAFQWSA-N 2 0 279.388 0.542 50 0 CCAARP CC[C@H]([NH3+])C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000166610499 280873233 /nfs/dbraw/zinc/87/32/33/280873233.db2.gz YXIFGJXAZBAKSK-KKUMJFAQSA-N 2 0 296.459 0.741 50 0 CCAARP [NH3+][C@@H]1CCC[C@H]1C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000227282130 303465824 /nfs/dbraw/zinc/46/58/24/303465824.db2.gz MRYGAGWFFATSJE-YNEHKIRRSA-N 2 0 251.374 0.811 50 0 CCAARP N[C@H](C[NH+]1CCCCC1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000888096410 631289243 /nfs/dbraw/zinc/28/92/43/631289243.db2.gz FVHVOWUDEIYMJH-HIFRSBDPSA-N 2 0 280.416 0.012 50 0 CCAARP O=C([C@@H]1[NH2+]CC12CCCC2)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000888101875 631295798 /nfs/dbraw/zinc/29/57/98/631295798.db2.gz QHCYVFGKOUTWCR-GXTWGEPZSA-N 2 0 263.385 0.731 50 0 CCAARP COc1cccc(OC[C@@H](O)C[NH2+]C2CC[NH2+]CC2)c1 ZINC000032577804 816360654 /nfs/dbraw/zinc/36/06/54/816360654.db2.gz LTQQCDKFCGYUAD-ZDUSSCGKSA-N 2 0 280.368 0.777 50 0 CCAARP CC(C)OC[C@@H](O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000096473813 349619133 /nfs/dbraw/zinc/61/91/33/349619133.db2.gz PUXDRODJJKNGBN-HNNXBMFYSA-N 2 0 279.384 0.990 50 0 CCAARP O=C(C[C@@H]1CC[NH2+]C1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000190158880 388984025 /nfs/dbraw/zinc/98/40/25/388984025.db2.gz LTVRWXGWUZKOIH-HNNXBMFYSA-N 2 0 295.427 0.557 50 0 CCAARP OCC[NH+]1CCC(C[NH2+]C2CCC3(CC2)OCCO3)CC1 ZINC000155719590 389320661 /nfs/dbraw/zinc/32/06/61/389320661.db2.gz WMZHBKBWHNMZBB-UHFFFAOYSA-N 2 0 298.427 0.966 50 0 CCAARP C[C@@H](O)C[NH+]1CCC(C[NH2+]CCN2CCCC2=O)CC1 ZINC000069569165 175839949 /nfs/dbraw/zinc/83/99/49/175839949.db2.gz GQTIMYBIKRDLGO-CYBMUJFWSA-N 2 0 283.416 0.291 50 0 CCAARP O[C@@]1(C[NH2+]CCCn2ncc3ccccc32)CC[NH2+]C1 ZINC000077392521 177262678 /nfs/dbraw/zinc/26/26/78/177262678.db2.gz HRZCQNQFBJVKOK-OAHLLOKOSA-N 2 0 274.368 0.740 50 0 CCAARP O=C([C@H]1C[NH2+]CCO1)N1CCC([NH+]2CCSCC2)CC1 ZINC000534588231 328316624 /nfs/dbraw/zinc/31/66/24/328316624.db2.gz YOFFSFWXOHJMIK-CYBMUJFWSA-N 2 0 299.440 0.015 50 0 CCAARP Cc1cnc(CN2CCN(c3cc(C)[nH+]c(N)n3)CC2)cn1 ZINC000670428832 545234451 /nfs/dbraw/zinc/23/44/51/545234451.db2.gz RSPKHJTWBOWGTQ-UHFFFAOYSA-N 2 0 299.382 0.788 50 0 CCAARP CS(=O)(=O)Nc1ccc([C@H]2C[NH2+]C[C@@H]([NH3+])C2)cc1 ZINC000757216233 581699572 /nfs/dbraw/zinc/69/95/72/581699572.db2.gz ZGTPKLKJOABJCW-MNOVXSKESA-N 2 0 269.370 0.462 50 0 CCAARP O=C(C[C@H]1C[NH2+]CCO1)N1CCC([NH+]2CCCC2)CC1 ZINC000091309792 624835275 /nfs/dbraw/zinc/83/52/75/624835275.db2.gz OQMDLLMVLPRZIJ-AWEZNQCLSA-N 2 0 281.400 0.452 50 0 CCAARP [NH3+]CC[C@H]1C[N@@H+](C2CSCCSC2)CCO1 ZINC000426707191 812984358 /nfs/dbraw/zinc/98/43/58/812984358.db2.gz KYNOEBZXBVRZEP-NSHDSACASA-N 2 0 262.444 0.885 50 0 CCAARP C[N@H+](CCn1cnnc1)C[C@@H]1CC[NH+](C)C1(C)C ZINC000823690242 821531484 /nfs/dbraw/zinc/53/14/84/821531484.db2.gz SLYMKLAEOQHLQI-LBPRGKRZSA-N 2 0 251.378 0.940 50 0 CCAARP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000253426097 352534390 /nfs/dbraw/zinc/53/43/90/352534390.db2.gz HZFJGBHJCUUTOI-BFHYXJOUSA-N 2 0 283.416 0.541 50 0 CCAARP CC(C)[NH+]1CCC(N2CC[NH+](CCO)CC2)CC1 ZINC000019889077 348072958 /nfs/dbraw/zinc/07/29/58/348072958.db2.gz GPCYVFIILGIAMG-UHFFFAOYSA-N 2 0 255.406 0.469 50 0 CCAARP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000036906991 348174946 /nfs/dbraw/zinc/17/49/46/348174946.db2.gz WLIHDBWUBSTVDV-AGIUHOORSA-N 2 0 269.389 0.090 50 0 CCAARP CCCCN1CC[N@H+](CC2CC[NH2+]CC2)CC1=O ZINC000067691732 348781179 /nfs/dbraw/zinc/78/11/79/348781179.db2.gz DBBGERKISUEINB-UHFFFAOYSA-N 2 0 253.390 0.930 50 0 CCAARP COC(=O)CN1CCC([NH2+][C@H]2CC[NH2+]C2(C)C)CC1 ZINC000067688784 348781637 /nfs/dbraw/zinc/78/16/37/348781637.db2.gz XORZRHGAPANURI-LBPRGKRZSA-N 2 0 269.389 0.354 50 0 CCAARP C[NH+](C)CCOC1CC[NH+](CCN2CCOC2=O)CC1 ZINC000072280927 348919175 /nfs/dbraw/zinc/91/91/75/348919175.db2.gz ZGZQUIUABUHVDH-UHFFFAOYSA-N 2 0 285.388 0.481 50 0 CCAARP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000237008098 352236339 /nfs/dbraw/zinc/23/63/39/352236339.db2.gz HZFJGBHJCUUTOI-IHRRRGAJSA-N 2 0 283.416 0.541 50 0 CCAARP CC[N@@H+]1CC[C@H](N(C)C(=O)C[NH2+]CCOC)[C@H](C)C1 ZINC000299738573 285385100 /nfs/dbraw/zinc/38/51/00/285385100.db2.gz CGTGPUFEEGDMNX-OLZOCXBDSA-N 2 0 271.405 0.411 50 0 CCAARP C[C@@H](C(=O)NCC1(O)CC[NH+](C)CC1)[NH+]1CCCCCC1 ZINC000332034396 286774080 /nfs/dbraw/zinc/77/40/80/286774080.db2.gz SONHBRBVYWYMMO-AWEZNQCLSA-N 2 0 297.443 0.824 50 0 CCAARP O=C([C@H]1C[NH2+]CCO1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000333480095 545039773 /nfs/dbraw/zinc/03/97/73/545039773.db2.gz BIHNABZBCBFJHB-UONOGXRCSA-N 2 0 275.352 0.148 50 0 CCAARP C[C@H](C(=O)NCC1(O)CC[NH+](C)CC1)[NH+]1CCCCCC1 ZINC000332034398 298150072 /nfs/dbraw/zinc/15/00/72/298150072.db2.gz SONHBRBVYWYMMO-CQSZACIVSA-N 2 0 297.443 0.824 50 0 CCAARP CN1CC[NH+](C[C@@H]2CCCN(C(=O)CC3C[NH2+]C3)C2)CC1 ZINC000952985795 616243190 /nfs/dbraw/zinc/24/31/90/616243190.db2.gz HIERKMUXLLPCMA-AWEZNQCLSA-N 2 0 294.443 0.082 50 0 CCAARP [NH3+][C@@H](c1ccnn1C1CCC1)C1(O)CC[NH2+]CC1 ZINC000958528704 631406039 /nfs/dbraw/zinc/40/60/39/631406039.db2.gz ZPTFAEBURYXJBV-LBPRGKRZSA-N 2 0 250.346 0.722 50 0 CCAARP C[C@@H](CCO)[N@@H+]1CCCN(C)C2(CC[NH2+]CC2)C1 ZINC000426522853 812841710 /nfs/dbraw/zinc/84/17/10/812841710.db2.gz IDNNUIQAUWLKDH-ZDUSSCGKSA-N 2 0 255.406 0.517 50 0 CCAARP C[C@H](C(=O)NCC1(O)CC[NH+](C)CC1)[NH+]1CCCCC1 ZINC000823761221 821535181 /nfs/dbraw/zinc/53/51/81/821535181.db2.gz XNIVEVUONHQYOK-CYBMUJFWSA-N 2 0 283.416 0.434 50 0 CCAARP Cc1cc(NCC[C@@H](C)[NH+]2CCN(C)CC2)nc(N)[nH+]1 ZINC000091254837 180114636 /nfs/dbraw/zinc/11/46/36/180114636.db2.gz RITDSKDDGNZWGY-GFCCVEGCSA-N 2 0 278.404 0.805 50 0 CCAARP [NH3+]CCN1C(=O)CC[C@H]2C[N@@H+](Cc3cnc[nH]3)CC[C@H]21 ZINC000072425509 388963493 /nfs/dbraw/zinc/96/34/93/388963493.db2.gz IIWLJTLCZPBVAO-WCQYABFASA-N 2 0 277.372 0.181 50 0 CCAARP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000096491781 389062105 /nfs/dbraw/zinc/06/21/05/389062105.db2.gz OOYKXOOZFXQUPT-NIFZNCRKSA-N 2 0 297.443 0.941 50 0 CCAARP [NH3+]CCCC1OCC2(CO1)COC(CCC[NH3+])OC2 ZINC000004977046 170048189 /nfs/dbraw/zinc/04/81/89/170048189.db2.gz ANOPCGQVRXJHHD-UHFFFAOYSA-N 2 0 274.361 0.196 50 0 CCAARP C[C@@H](O)C[NH+]1CCC(C[NH2+][C@H](C)C(=O)N2CCCC2)CC1 ZINC000069493243 175834647 /nfs/dbraw/zinc/83/46/47/175834647.db2.gz VXDPGNZVARDZGQ-ZIAGYGMSSA-N 2 0 297.443 0.680 50 0 CCAARP O[C@@]1(C[NH2+]CCc2cnn(-c3ccccc3)c2)CC[NH2+]C1 ZINC000077392714 177262626 /nfs/dbraw/zinc/26/26/26/177262626.db2.gz WANSZEFIQNMVIQ-MRXNPFEDSA-N 2 0 286.379 0.729 50 0 CCAARP O[C@]12CC[NH2+]C[C@H]1C[N@H+](CCCn1ccnc1)CC2 ZINC000091626392 544527726 /nfs/dbraw/zinc/52/77/26/544527726.db2.gz UQPZIXCOPIQHCY-KBPBESRZSA-N 2 0 264.373 0.320 50 0 CCAARP C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000178408813 277029029 /nfs/dbraw/zinc/02/90/29/277029029.db2.gz UMHXWZMTSYYSBF-SWLSCSKDSA-N 2 0 273.380 0.769 50 0 CCAARP CC(C)(C)[NH2+]C[C@]1(O)C2CN3CC1(C)C[N@H+](C2)CC3 ZINC000022034337 278370469 /nfs/dbraw/zinc/37/04/69/278370469.db2.gz XMRMRZZKYWCFFY-ZALBZXLWSA-N 2 0 267.417 0.373 50 0 CCAARP C[NH+]1CCN(CC2(C[NH2+][C@H]3CCOC3)CC2)CC1 ZINC000534654303 328338895 /nfs/dbraw/zinc/33/88/95/328338895.db2.gz UZZRHINNVVTAOL-ZDUSSCGKSA-N 2 0 253.390 0.393 50 0 CCAARP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]CCc1nccs1 ZINC000670472082 545237157 /nfs/dbraw/zinc/23/71/57/545237157.db2.gz HVGUWUKRGPHALU-LBPRGKRZSA-N 2 0 268.430 0.911 50 0 CCAARP CS(=O)(=O)Nc1ccc([C@@H]2C[NH2+]C[C@H]([NH3+])C2)cc1 ZINC000757216235 581699057 /nfs/dbraw/zinc/69/90/57/581699057.db2.gz ZGTPKLKJOABJCW-WDEREUQCSA-N 2 0 269.370 0.462 50 0 CCAARP C[NH+](C)CCNC(=O)c1cccnc1OC1CC[NH2+]CC1 ZINC000169751882 637057995 /nfs/dbraw/zinc/05/79/95/637057995.db2.gz WMTCJJIVPZXPAF-UHFFFAOYSA-N 2 0 292.383 0.504 50 0 CCAARP CSc1ncc(C[NH2+][C@@H](C)CN2CC[NH+](C)CC2)n1C ZINC000952970143 639079604 /nfs/dbraw/zinc/07/96/04/639079604.db2.gz HJEZQGTVKRKPIE-LBPRGKRZSA-N 2 0 297.472 0.868 50 0 CCAARP CN1C(=O)N=NC1CC[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000822293556 821478692 /nfs/dbraw/zinc/47/86/92/821478692.db2.gz AABCBKFZWJVJOA-UHFFFAOYSA-N 2 0 281.404 0.962 50 0 CCAARP C[NH+](C)C[C@@H]1COCCN(C(=O)C2CC[NH2+]CC2)C1 ZINC000823690188 821532231 /nfs/dbraw/zinc/53/22/31/821532231.db2.gz MGKDGZLTKJOTPQ-LBPRGKRZSA-N 2 0 269.389 0.023 50 0 CCAARP C[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CCC[C@H](O)C3)C2)CC1 ZINC000823770292 821537196 /nfs/dbraw/zinc/53/71/96/821537196.db2.gz SBMWGLRBMWZKCA-AWEZNQCLSA-N 2 0 295.427 0.387 50 0 CCAARP [NH3+]C[C@@H]1CN(C[C@@]2(O)CCC[NH2+]C2)C[C@H]1c1ccccc1 ZINC000952877430 841580639 /nfs/dbraw/zinc/58/06/39/841580639.db2.gz PUWVMSYOUPEBES-IXDOHACOSA-N 2 0 289.423 0.775 50 0 CCAARP Cc1cc(N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)nc(N)[nH+]1 ZINC000106906074 349735190 /nfs/dbraw/zinc/73/51/90/349735190.db2.gz QUDNCGHELYKGNV-WDEREUQCSA-N 2 0 265.361 0.259 50 0 CCAARP C[NH+](C)CCC[NH2+]CCCNC(=O)c1ccncc1 ZINC000001829984 347962929 /nfs/dbraw/zinc/96/29/29/347962929.db2.gz DSTJJUGCXHOWDZ-UHFFFAOYSA-N 2 0 264.373 0.743 50 0 CCAARP CC[NH+]1CCC(n2nccc2NC(=O)C[NH2+]C)CC1 ZINC000163886409 350774084 /nfs/dbraw/zinc/77/40/84/350774084.db2.gz DIRLMBHJQKNSQL-UHFFFAOYSA-N 2 0 265.361 0.698 50 0 CCAARP CN(CC[NH+](C)C)c1cc(C2CC([NH3+])C2)nc(N)n1 ZINC000223349564 351986862 /nfs/dbraw/zinc/98/68/62/351986862.db2.gz AORQERGBCMGMOF-UHFFFAOYSA-N 2 0 264.377 0.261 50 0 CCAARP Cc1nccn1CC[N@@H+](C)CCCS(=O)(=O)N(C)C ZINC000244695617 352310437 /nfs/dbraw/zinc/31/04/37/352310437.db2.gz JPKBUXGMCAYMDF-UHFFFAOYSA-N 2 0 288.417 0.405 50 0 CCAARP CCCS(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000048333458 388889512 /nfs/dbraw/zinc/88/95/12/388889512.db2.gz GYMQWZCANQXRPS-UHFFFAOYSA-N 2 0 293.477 0.932 50 0 CCAARP CN(C)c1ccc(CC[NH2+]C[C@@]2(O)CCC[NH2+]C2)cc1 ZINC000072418369 388962363 /nfs/dbraw/zinc/96/23/63/388962363.db2.gz PKFDUOBWBXFACN-MRXNPFEDSA-N 2 0 277.412 0.999 50 0 CCAARP CN(C)c1ccc(CC[NH2+]C[C@]2(O)CCC[NH2+]C2)cc1 ZINC000072418368 388962804 /nfs/dbraw/zinc/96/28/04/388962804.db2.gz PKFDUOBWBXFACN-INIZCTEOSA-N 2 0 277.412 0.999 50 0 CCAARP O[C@@]1(C[NH2+]CCCn2cc(Cl)cn2)CCC[NH2+]C1 ZINC000072463256 388964774 /nfs/dbraw/zinc/96/47/74/388964774.db2.gz SXLLKRVNGQBYDQ-LBPRGKRZSA-N 2 0 272.780 0.631 50 0 CCAARP C[NH+](C)[C@H](CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1)c1ccc(F)cc1 ZINC000299750575 389042797 /nfs/dbraw/zinc/04/27/97/389042797.db2.gz NYJVUNQXWJTULM-MELADBBJSA-N 2 0 295.358 0.267 50 0 CCAARP CN(C)C(=O)C[N@@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC000242722942 389203080 /nfs/dbraw/zinc/20/30/80/389203080.db2.gz XZBQJOFEERYSQE-CYBMUJFWSA-N 2 0 253.390 0.929 50 0 CCAARP COC[C@H]1CC[N@H+](Cc2cc3n(n2)CC[NH2+]C3)C1 ZINC000072169930 176332121 /nfs/dbraw/zinc/33/21/21/176332121.db2.gz HRJWBEZZPONXKM-NSHDSACASA-N 2 0 250.346 0.455 50 0 CCAARP [NH3+]CCc1cccc(C[N@@H+]2CCOC[C@@H](CO)C2)c1 ZINC000077298780 177250210 /nfs/dbraw/zinc/25/02/10/177250210.db2.gz MQWFTFVXKUYOCM-OAHLLOKOSA-N 2 0 264.369 0.629 50 0 CCAARP C[C@@H]1CCCN(C(=O)CC2CC[NH2+]CC2)[C@H]1C[NH3+] ZINC000156797019 287328358 /nfs/dbraw/zinc/32/83/58/287328358.db2.gz SYUUABLQJRCFLI-YPMHNXCESA-N 2 0 253.390 0.962 50 0 CCAARP C[NH+](C)CCN1CC[N@H+](C[C@@H]2CCCCO2)CCC1=O ZINC000670460429 545236767 /nfs/dbraw/zinc/23/67/67/545236767.db2.gz ZWBTVYYAJQIYKY-AWEZNQCLSA-N 2 0 283.416 0.651 50 0 CCAARP CN1CCC[N@H+](C[C@@H]2CCOC2)CC12CC[NH2+]CC2 ZINC000426517748 812839729 /nfs/dbraw/zinc/83/97/29/812839729.db2.gz AUKOZARBVZYPIM-AWEZNQCLSA-N 2 0 267.417 0.783 50 0 CCAARP C[NH+](C)C[C@H]1COCCN(C(=O)C2CC[NH2+]CC2)C1 ZINC000823690107 821532295 /nfs/dbraw/zinc/53/22/95/821532295.db2.gz MGKDGZLTKJOTPQ-GFCCVEGCSA-N 2 0 269.389 0.023 50 0 CCAARP C(C[N@H+]1[C@@H]2CC[C@H]1[C@H]1C[NH2+]C[C@H]12)N1CCOCC1 ZINC000827603730 821682546 /nfs/dbraw/zinc/68/25/46/821682546.db2.gz GUPVHVSIDIZFTM-KPWCQOOUSA-N 2 0 251.374 0.001 50 0 CCAARP Cn1c(CN2CC[NH+](C)CC2)nnc1C1CC[NH+](C)CC1 ZINC000096140121 185105291 /nfs/dbraw/zinc/10/52/91/185105291.db2.gz ZJZIPLGTXFALHF-UHFFFAOYSA-N 2 0 292.431 0.372 50 0 CCAARP Cc1cc(N2C[C@H]3CC[C@@H](C2)[NH2+]3)nc(N2CCOCC2)[nH+]1 ZINC000065406556 348714336 /nfs/dbraw/zinc/71/43/36/348714336.db2.gz KGKXYTCPPLXVGG-BETUJISGSA-N 2 0 289.383 0.562 50 0 CCAARP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2C[NH2+]CCO2)cc1 ZINC000152004767 350515670 /nfs/dbraw/zinc/51/56/70/350515670.db2.gz LKLNWNSZDHWHBD-GJZGRUSLSA-N 2 0 291.395 0.914 50 0 CCAARP O=C(C[NH2+]C1CC1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000178925717 351253390 /nfs/dbraw/zinc/25/33/90/351253390.db2.gz WPFAMRBLLAGXTL-UHFFFAOYSA-N 2 0 281.400 0.309 50 0 CCAARP C[NH+]1CCN(c2cc(C3CC([NH3+])C3)nc(N)n2)CC1 ZINC000222449590 351982701 /nfs/dbraw/zinc/98/27/01/351982701.db2.gz QYUJVVZSETTXFH-UHFFFAOYSA-N 2 0 262.361 0.015 50 0 CCAARP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000237049685 352239590 /nfs/dbraw/zinc/23/95/90/352239590.db2.gz HZFJGBHJCUUTOI-MELADBBJSA-N 2 0 283.416 0.541 50 0 CCAARP CC[N@H+]1CCc2nnc([C@H]3CC[NH+](CCCO)C3)n2CC1 ZINC000257177865 352547841 /nfs/dbraw/zinc/54/78/41/352547841.db2.gz YECKAZWTTFSHCA-ZDUSSCGKSA-N 2 0 293.415 0.328 50 0 CCAARP C[NH+](C)C[C@H]1COCCN(C(=O)CC2CC[NH2+]CC2)C1 ZINC000584891912 359231562 /nfs/dbraw/zinc/23/15/62/359231562.db2.gz WLGJTUQURUMDIV-CQSZACIVSA-N 2 0 283.416 0.413 50 0 CCAARP C[C@@H](CCN(C)C(=O)c1cn(CC[NH3+])nn1)[NH+]1CCCC1 ZINC000077320317 388987806 /nfs/dbraw/zinc/98/78/06/388987806.db2.gz UQOZZWNUDUBWFS-LBPRGKRZSA-N 2 0 294.403 0.183 50 0 CCAARP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000251897643 288304299 /nfs/dbraw/zinc/30/42/99/288304299.db2.gz WDMNDMRHRHHEJI-YVECIDJPSA-N 2 0 251.374 0.809 50 0 CCAARP CO[C@H]1C[NH2+]C[C@@H]1NC(=O)CN(C)Cc1ccc(C)cc1 ZINC000534635065 328333099 /nfs/dbraw/zinc/33/30/99/328333099.db2.gz CLROBKQJDNULLT-GJZGRUSLSA-N 2 0 291.395 0.530 50 0 CCAARP O=C(C1CC[NH2+]CC1)N1CC[N@H+](CC2CC2)[C@@H](CCO)C1 ZINC000534652421 328337969 /nfs/dbraw/zinc/33/79/69/328337969.db2.gz SHKKYUVMQYJMLA-HNNXBMFYSA-N 2 0 295.427 0.291 50 0 CCAARP CCO[C@H]1C[N@H+](CC)C[C@@H]1NC(=O)C1CC[NH2+]CC1 ZINC000534647196 328342647 /nfs/dbraw/zinc/34/26/47/328342647.db2.gz WGEUVXANKHVTKQ-STQMWFEESA-N 2 0 269.389 0.211 50 0 CCAARP CC[C@H](O)C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000071909516 327106416 /nfs/dbraw/zinc/10/64/16/327106416.db2.gz JQHOFQDMKZKVLL-CABCVRRESA-N 2 0 269.433 0.859 50 0 CCAARP Cc1c[nH+]ccc1N1CCCN(C(=O)[C@@H]2C=CC[NH2+]2)CC1 ZINC000952985525 649614521 /nfs/dbraw/zinc/61/45/21/649614521.db2.gz HWEOFRYYFYSPOV-AWEZNQCLSA-N 2 0 286.379 0.957 50 0 CCAARP O=S1(=O)CC[C@@H](CC[N@@H+]2CCC3(C2)CC[NH2+]CC3)C1 ZINC000693288957 791097434 /nfs/dbraw/zinc/09/74/34/791097434.db2.gz WDSNPQUPTSPOPL-CYBMUJFWSA-N 2 0 286.441 0.887 50 0 CCAARP CC1(C)CC(N[C@H]2C[NH2+]CC[C@H]2O)CC(C)(C)[NH2+]1 ZINC000426535269 812840922 /nfs/dbraw/zinc/84/09/22/812840922.db2.gz WFIMJFCRDKGZFP-NWDGAFQWSA-N 2 0 255.406 0.608 50 0 CCAARP Cn1c(C[NH3+])nnc1SC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000426552144 812843938 /nfs/dbraw/zinc/84/39/38/812843938.db2.gz WZUOHUYFKVKURP-BDAKNGLRSA-N 2 0 255.391 0.883 50 0 CCAARP O=C(NCCc1ncc[nH]1)[C@@H]1CCCN1C1CC[NH2+]CC1 ZINC000139600399 817753060 /nfs/dbraw/zinc/75/30/60/817753060.db2.gz PCQJHTRGWKYXHG-ZDUSSCGKSA-N 2 0 291.399 0.285 50 0 CCAARP [NH3+]C[C@@H](NC(=O)C[C@H]1COCC[NH2+]1)C1CCCCC1 ZINC000262242161 137032914 /nfs/dbraw/zinc/03/29/14/137032914.db2.gz RPZXNJWHKWIYRK-QWHCGFSZSA-N 2 0 269.389 0.389 50 0 CCAARP OCc1cc2n(n1)CCC[N@H+](C[C@H]1[C@@H]3C[NH2+]C[C@H]13)C2 ZINC000222642545 351983691 /nfs/dbraw/zinc/98/36/91/351983691.db2.gz GOGZECOAKAJUMH-WDNDVIMCSA-N 2 0 262.357 0.047 50 0 CCAARP O=C(CC[NH+]1Cc2ccccc2C1)NC[C@]1(O)CC[NH2+]C1 ZINC000244678814 352310870 /nfs/dbraw/zinc/31/08/70/352310870.db2.gz IKUUQNBIFNFOML-INIZCTEOSA-N 2 0 289.379 0.233 50 0 CCAARP CC(C)[N@@H+]1CCCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000341630565 355707666 /nfs/dbraw/zinc/70/76/66/355707666.db2.gz FQPVTXONBIPUQC-OAHLLOKOSA-N 2 0 297.443 0.897 50 0 CCAARP C[C@@H](Cn1cccn1)[NH2+]CC1(N(C)C)CC[NH+](C)CC1 ZINC000584888221 359228198 /nfs/dbraw/zinc/22/81/98/359228198.db2.gz PIVCDMUIVPMQIW-AWEZNQCLSA-N 2 0 279.432 0.887 50 0 CCAARP O[C@@]1(C[NH2+]CCSc2ccccn2)CCC[NH2+]C1 ZINC000072418431 388962664 /nfs/dbraw/zinc/96/26/64/388962664.db2.gz GIZCIAYIMXKTQY-ZDUSSCGKSA-N 2 0 267.398 0.878 50 0 CCAARP C[NH+](C)CC(=O)NC1CC[NH+](CC2(O)CCCCC2)CC1 ZINC000097378133 282058218 /nfs/dbraw/zinc/05/82/18/282058218.db2.gz NFABABUWVRFLIG-UHFFFAOYSA-N 2 0 297.443 0.824 50 0 CCAARP C[C@H](C(=O)NC[C@@](C)(O)C[NH+](C)C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000230178003 298160281 /nfs/dbraw/zinc/16/02/81/298160281.db2.gz HQQGTCRYFWFNNO-QVHKTLOISA-N 2 0 285.432 0.677 50 0 CCAARP C[NH+]1CCC(OCCCNC(=O)[C@@H]2C=CC[NH2+]2)CC1 ZINC000534652970 328338157 /nfs/dbraw/zinc/33/81/57/328338157.db2.gz CITNFGVMCSETTP-ZDUSSCGKSA-N 2 0 267.373 0.132 50 0 CCAARP CN1CCCN(c2ncc(F)cn2)CC12CC[NH2+]CC2 ZINC000534670858 328347229 /nfs/dbraw/zinc/34/72/29/328347229.db2.gz HHEOPBVWIDKTKH-UHFFFAOYSA-N 2 0 279.363 0.880 50 0 CCAARP OC1CC[NH+](CCCC[NH+]2CCC(O)CC2)CC1 ZINC000001873302 336123299 /nfs/dbraw/zinc/12/32/99/336123299.db2.gz XSTCKACPHTUHHS-UHFFFAOYSA-N 2 0 256.390 0.680 50 0 CCAARP [NH3+][C@@H](Cc1c(F)cccc1F)C1(O)CC[NH2+]CC1 ZINC000958528643 631405903 /nfs/dbraw/zinc/40/59/03/631405903.db2.gz RDQSKXLUTRMHEG-LBPRGKRZSA-N 2 0 256.296 0.949 50 0 CCAARP Cn1c(CO)nnc1C1CC[NH+](C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000299797350 632876993 /nfs/dbraw/zinc/87/69/93/632876993.db2.gz PZDHRYFLCUKIOL-GFCCVEGCSA-N 2 0 293.415 0.439 50 0 CCAARP C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C3CCOCC3)CC2)C1 ZINC000823755215 821535825 /nfs/dbraw/zinc/53/58/25/821535825.db2.gz IULPSEWNWCXVFT-AWEZNQCLSA-N 2 0 295.427 0.698 50 0 CCAARP CN(Cc1cccc(O)c1)C(=O)C12C[NH2+]CC1C[NH2+]C2 ZINC000065409651 348714330 /nfs/dbraw/zinc/71/43/30/348714330.db2.gz SIVXKOMTPRDWEN-UHFFFAOYSA-N 2 0 275.352 0.160 50 0 CCAARP Cc1cccc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1 ZINC000069464780 348846996 /nfs/dbraw/zinc/84/69/96/348846996.db2.gz VWRORJICROKYID-UHFFFAOYSA-N 2 0 278.400 0.955 50 0 CCAARP CC(C)NC(=O)C[N@H+](C)CC1CC[NH+](CCO)CC1 ZINC000069628595 348855293 /nfs/dbraw/zinc/85/52/93/348855293.db2.gz UTSIKDYJFLNHPF-UHFFFAOYSA-N 2 0 271.405 0.147 50 0 CCAARP C[C@@H](O)C[NH+]1CCN(C[C@@H](O)C[NH+]2CCC(C)CC2)CC1 ZINC000069968328 348868341 /nfs/dbraw/zinc/86/83/41/348868341.db2.gz XFLYNNSUXXFBEO-CVEARBPZSA-N 2 0 299.459 0.078 50 0 CCAARP Cc1cc(N2CC[C@H]3[NH2+]CCC[C@]3(CO)C2)nc(N)[nH+]1 ZINC000072166137 348915962 /nfs/dbraw/zinc/91/59/62/348915962.db2.gz MCQUJCUMVYWJFJ-BXUZGUMPSA-N 2 0 277.372 0.308 50 0 CCAARP CN(Cc1ccccc1)C(=O)CC[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC000082120900 349291357 /nfs/dbraw/zinc/29/13/57/349291357.db2.gz CAOUIPSJURKYMH-HUUCEWRRSA-N 2 0 291.395 0.429 50 0 CCAARP CN1CC[C@@H]([NH+]2CCC(OCC[NH+]3CCCC3)CC2)C1=O ZINC000083877456 349312654 /nfs/dbraw/zinc/31/26/54/349312654.db2.gz MSLPMJGBEZXIGK-OAHLLOKOSA-N 2 0 295.427 0.794 50 0 CCAARP CN1CC[N@H+](C)C[C@@H]1CNC(=[NH2+])NCc1ccccc1 ZINC000229580656 352092305 /nfs/dbraw/zinc/09/23/05/352092305.db2.gz HVWPOXIPMNFIRI-AWEZNQCLSA-N 2 0 275.400 0.546 50 0 CCAARP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)CC[NH3+])C[C@@H](C)O1 ZINC000237509717 352268996 /nfs/dbraw/zinc/26/89/96/352268996.db2.gz GWECDHHUUJRMAP-JHJVBQTASA-N 2 0 269.389 0.435 50 0 CCAARP CN(Cc1cnccn1)c1cc([C@H]2C[C@@H]([NH3+])C2)nc(N)n1 ZINC000244795286 352312673 /nfs/dbraw/zinc/31/26/73/352312673.db2.gz RDHDTMGHQYKFFJ-AOOOYVTPSA-N 2 0 285.355 0.690 50 0 CCAARP CSCCN(C)Cc1nnc([C@H]2C[C@@H]([NH3+])C2)n1C ZINC000244795875 352313208 /nfs/dbraw/zinc/31/32/08/352313208.db2.gz ROYGSJYQRMOJJV-AOOOYVTPSA-N 2 0 269.418 0.815 50 0 CCAARP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)CC[NH3+])C[C@H](C)O1 ZINC000237675552 297013978 /nfs/dbraw/zinc/01/39/78/297013978.db2.gz GWECDHHUUJRMAP-XQQFMLRXSA-N 2 0 269.389 0.435 50 0 CCAARP CN(CC(=O)N1CCOC2(CCCC2)C1)C1CC[NH2+]CC1 ZINC000534583228 328312580 /nfs/dbraw/zinc/31/25/80/328312580.db2.gz RDKCOPIUEOVNDL-UHFFFAOYSA-N 2 0 295.427 0.842 50 0 CCAARP C[NH+](C)C1(CNC(=O)C2(O)CC[NH+](C)CC2)CCCC1 ZINC000534656012 328339912 /nfs/dbraw/zinc/33/99/12/328339912.db2.gz DTSLTTHWSAEFSB-UHFFFAOYSA-N 2 0 283.416 0.434 50 0 CCAARP CS(=O)(=O)Nc1ccc([C@H]2C[NH2+]C[C@H]([NH3+])C2)cc1 ZINC000757216232 581698964 /nfs/dbraw/zinc/69/89/64/581698964.db2.gz ZGTPKLKJOABJCW-GHMZBOCLSA-N 2 0 269.370 0.462 50 0 CCAARP Cc1nc(CC[NH3+])cc(N2CC[NH+]3CCC2CC3)n1 ZINC000067881702 638216900 /nfs/dbraw/zinc/21/69/00/638216900.db2.gz SIRPHLYLNBYIFE-UHFFFAOYSA-N 2 0 261.373 0.571 50 0 CCAARP CC[C@H](C(=O)N1CCC(CO)(C[NH+](C)C)CC1)[N@H+](C)CC ZINC000952873822 841579066 /nfs/dbraw/zinc/57/90/66/841579066.db2.gz OWQPUNRDLYYQIL-CQSZACIVSA-N 2 0 299.459 0.879 50 0 CCAARP C[C@](O)(C[NH3+])CN1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000952878041 841582989 /nfs/dbraw/zinc/58/29/89/841582989.db2.gz XXUZFUOJGYLBGP-ILXRZTDVSA-N 2 0 263.385 0.370 50 0 CCAARP C[NH+](C)C1CCN(C(=O)CC2CC[NH2+]CC2)CC1 ZINC000036192617 348161278 /nfs/dbraw/zinc/16/12/78/348161278.db2.gz FESMZNRTWWLTFI-UHFFFAOYSA-N 2 0 253.390 0.929 50 0 CCAARP Cc1nc(-c2cn(CC[NH3+])nn2)n(-c2cc[nH+]c(C)c2)n1 ZINC000067770498 348784209 /nfs/dbraw/zinc/78/42/09/348784209.db2.gz GEVMSPUGTYRVMF-UHFFFAOYSA-N 2 0 284.327 0.496 50 0 CCAARP Cc1cc(N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)nc(N)[nH+]1 ZINC000072276325 348919017 /nfs/dbraw/zinc/91/90/17/348919017.db2.gz QUDNCGHELYKGNV-GHMZBOCLSA-N 2 0 265.361 0.259 50 0 CCAARP CN(Cc1ccc2nsnc2c1)C[C@@]1(O)CC[NH2+]C1 ZINC000077343322 177254447 /nfs/dbraw/zinc/25/44/47/177254447.db2.gz ZZXCNLYPYKBUEU-CYBMUJFWSA-N 2 0 278.381 0.848 50 0 CCAARP COC(=O)CN1CCC([NH2+][C@@H]2CC[NH2+]C2(C)C)CC1 ZINC000067688783 348781190 /nfs/dbraw/zinc/78/11/90/348781190.db2.gz XORZRHGAPANURI-GFCCVEGCSA-N 2 0 269.389 0.354 50 0 CCAARP CC(C)[NH+]1CCC(C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000067934077 348791083 /nfs/dbraw/zinc/79/10/83/348791083.db2.gz PXAYCBSXOKOOPV-CYBMUJFWSA-N 2 0 269.389 0.211 50 0 CCAARP OCC[NH+]1CCC(C[NH2+]C[C@@H]2CCCCO2)CC1 ZINC000069590261 348852987 /nfs/dbraw/zinc/85/29/87/348852987.db2.gz UBYYYYUBSHUDBV-AWEZNQCLSA-N 2 0 256.390 0.849 50 0 CCAARP NC(=O)C[NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000075602894 349040891 /nfs/dbraw/zinc/04/08/91/349040891.db2.gz UWBRINVKGCOTIP-HNNXBMFYSA-N 2 0 291.395 0.507 50 0 CCAARP CN(CC[NH+]1CCCC1)Cc1nnc([C@H]2C[C@@H]([NH3+])C2)n1C ZINC000244701113 352311654 /nfs/dbraw/zinc/31/16/54/352311654.db2.gz KAJXTZUCWNUDNC-BETUJISGSA-N 2 0 292.431 0.547 50 0 CCAARP CC(C)[N@@H+]1CCCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000341630562 355708125 /nfs/dbraw/zinc/70/81/25/355708125.db2.gz FQPVTXONBIPUQC-HNNXBMFYSA-N 2 0 297.443 0.897 50 0 CCAARP C[C@H](CN(C)CCO)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000426514944 358218190 /nfs/dbraw/zinc/21/81/90/358218190.db2.gz ZWJJSQADMBOMLX-CYBMUJFWSA-N 2 0 255.406 0.375 50 0 CCAARP CC(=O)N1CCC[N@@H+]([C@@H]2COC3(C2)CC[NH2+]CC3)CC1 ZINC000010231858 388767327 /nfs/dbraw/zinc/76/73/27/388767327.db2.gz BMPYUBQYQNNFKY-AWEZNQCLSA-N 2 0 281.400 0.452 50 0 CCAARP C[N@@H+]1CCC[C@]2(CCC[NH+](CCCn3cnnn3)C2)C1 ZINC000019147943 388791590 /nfs/dbraw/zinc/79/15/90/388791590.db2.gz CMEUUNOBZSHVJY-AWEZNQCLSA-N 2 0 278.404 0.871 50 0 CCAARP O[C@@H](CNc1ncnc2c1CC[NH2+]CC2)C[NH+]1CCCC1 ZINC000072440169 388963762 /nfs/dbraw/zinc/96/37/62/388963762.db2.gz DFRJIZNQELOUAL-LBPRGKRZSA-N 2 0 291.399 0.033 50 0 CCAARP Cc1nc(CC[NH2+]C[C@@]2(O)CC[NH2+]C2)nc2c1CCC2 ZINC000072458945 388964393 /nfs/dbraw/zinc/96/43/93/388964393.db2.gz HBOBPFKACYEGNM-HNNXBMFYSA-N 2 0 276.384 0.130 50 0 CCAARP C(C1CC[NH2+]CC1)[N@@H+]1CCOC2(CCOCC2)C1 ZINC000190156278 388984415 /nfs/dbraw/zinc/98/44/15/388984415.db2.gz NXBOSWQGHYQLNR-UHFFFAOYSA-N 2 0 254.374 0.867 50 0 CCAARP C[NH+]1CCN(c2cc(C(=O)N3CC[C@H]([NH3+])C3)ccn2)CC1 ZINC000237236799 389185312 /nfs/dbraw/zinc/18/53/12/389185312.db2.gz SZODXXYYPRWHLF-ZDUSSCGKSA-N 2 0 289.383 0.007 50 0 CCAARP c1cn(CC[NH+]2CCCC2)c(-c2cc3n(n2)CC[NH2+]C3)n1 ZINC000072408936 176398351 /nfs/dbraw/zinc/39/83/51/176398351.db2.gz TXKDAPHCEUHDNK-UHFFFAOYSA-N 2 0 286.383 0.946 50 0 CCAARP Cn1ccnc1SCC[NH2+]C[C@]1(O)CCC[NH2+]C1 ZINC000077505283 177276325 /nfs/dbraw/zinc/27/63/25/177276325.db2.gz HCYNJHJETUWMHB-LBPRGKRZSA-N 2 0 270.402 0.216 50 0 CCAARP C[C@H]([NH3+])C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000166612511 289763695 /nfs/dbraw/zinc/76/36/95/289763695.db2.gz ZOUJTTOHTCIQMB-IHRRRGAJSA-N 2 0 282.432 0.351 50 0 CCAARP CN(CC[N@H+](C)C1CCCC1)C(=O)C[C@H]1C[NH2+]CCO1 ZINC000534581913 328312352 /nfs/dbraw/zinc/31/23/52/328312352.db2.gz HBYAVJWNARAGHO-AWEZNQCLSA-N 2 0 283.416 0.698 50 0 CCAARP CC[NH+]1CCN(CC(=O)N[C@H](C)c2nc(C)c[nH]2)CC1 ZINC000534638581 328334804 /nfs/dbraw/zinc/33/48/04/328334804.db2.gz DYBAUZMOEDDLQR-GFCCVEGCSA-N 2 0 279.388 0.533 50 0 CCAARP O=C([C@H]1[NH2+]CC12CCCC2)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000888101878 631295620 /nfs/dbraw/zinc/29/56/20/631295620.db2.gz QHCYVFGKOUTWCR-OCCSQVGLSA-N 2 0 263.385 0.731 50 0 CCAARP Cc1cc(N)nc(N2CC[N@H+](CCO)C(C)(C)C2)n1 ZINC000871101476 637446723 /nfs/dbraw/zinc/44/67/23/637446723.db2.gz QAAUKEFCMNCHHJ-UHFFFAOYSA-N 2 0 265.361 0.260 50 0 CCAARP CN1CCC[N@@H+]([C@@H]2CCOC2)CC12CC[NH2+]CC2 ZINC000426546288 812843350 /nfs/dbraw/zinc/84/33/50/812843350.db2.gz WZZXKFWXSJSRPL-CYBMUJFWSA-N 2 0 253.390 0.535 50 0 CCAARP O[C@@]1(CN2CC[NH+](CCc3ccccc3)CC2)CC[NH2+]C1 ZINC000952876994 841580589 /nfs/dbraw/zinc/58/05/89/841580589.db2.gz JZYQSLAGOGDLNQ-KRWDZBQOSA-N 2 0 289.423 0.571 50 0 CCAARP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000067934076 348791063 /nfs/dbraw/zinc/79/10/63/348791063.db2.gz PXAYCBSXOKOOPV-ZDUSSCGKSA-N 2 0 269.389 0.211 50 0 CCAARP Nc1nc(NCCCCC[NH3+])cc(C2CC([NH3+])C2)n1 ZINC000218961705 351962713 /nfs/dbraw/zinc/96/27/13/351962713.db2.gz DGHUJSJLVQDONY-UHFFFAOYSA-N 2 0 264.377 0.804 50 0 CCAARP CC[NH+]1CCN(CC(=O)N(C)C2CC[NH+](C)CC2)CC1 ZINC000360174906 356964424 /nfs/dbraw/zinc/96/44/24/356964424.db2.gz GLKPUNNJCXFJBT-UHFFFAOYSA-N 2 0 282.432 0.177 50 0 CCAARP C[NH+](C)[C@H](CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)c1cccs1 ZINC000226821914 189779225 /nfs/dbraw/zinc/77/92/25/189779225.db2.gz IRAOEEMJUAFJBR-OUAUKWLOSA-N 2 0 283.397 0.190 50 0 CCAARP CC[NH+](CC)CC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000096407858 389059613 /nfs/dbraw/zinc/05/96/13/389059613.db2.gz JPMYYPXRWRQFPF-AWEZNQCLSA-N 2 0 285.432 0.537 50 0 CCAARP C[NH2+]CC(=O)NC[C@H](c1sccc1C)[NH+](C)C ZINC000071405813 176156020 /nfs/dbraw/zinc/15/60/20/176156020.db2.gz ZHHLWVHRPPEXLZ-SNVBAGLBSA-N 2 0 255.387 0.995 50 0 CCAARP O=C(CC[NH2+]C[C@@]1(O)CC[NH2+]C1)Nc1ccccc1 ZINC000077375884 177260843 /nfs/dbraw/zinc/26/08/43/177260843.db2.gz SHRWNQUUCCWPNF-AWEZNQCLSA-N 2 0 263.341 0.329 50 0 CCAARP CN(CC[N@H+](C)C1CCCC1)C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000534581914 328312217 /nfs/dbraw/zinc/31/22/17/328312217.db2.gz HBYAVJWNARAGHO-CQSZACIVSA-N 2 0 283.416 0.698 50 0 CCAARP C[C@H](CCC(=O)NCCN1CC[NH2+]CC1)[NH+]1CCCC1 ZINC000534587299 328316152 /nfs/dbraw/zinc/31/61/52/328316152.db2.gz MSCZPISHRUNWTN-CQSZACIVSA-N 2 0 282.432 0.272 50 0 CCAARP CCc1cc(N2C[C@@H]3[NH2+]CCO[C@H]3C2)nc(N(C)C)[nH+]1 ZINC000534670807 328347164 /nfs/dbraw/zinc/34/71/64/328347164.db2.gz LBHMOYQFCVEQLX-RYUDHWBXSA-N 2 0 277.372 0.282 50 0 CCAARP C[N@H+](CC(=O)NCCC[NH+]1CCC[C@@H](O)C1)C1CCCC1 ZINC000670461982 545236618 /nfs/dbraw/zinc/23/66/18/545236618.db2.gz BJCAVJXAIUGWFY-OAHLLOKOSA-N 2 0 297.443 0.824 50 0 CCAARP Cc1ncn(CC[NH2+][C@@H](C)CN2CC[NH+](C)CC2)c1C ZINC000670444652 545235726 /nfs/dbraw/zinc/23/57/26/545235726.db2.gz ZHPXSPKSCASJSA-ZDUSSCGKSA-N 2 0 279.432 0.725 50 0 CCAARP CC(C)CN1CC[N@H+](C[C@H]2[C@@H]3C[NH2+]C[C@H]23)C[C@@H]1CCO ZINC000952965470 614096670 /nfs/dbraw/zinc/09/66/70/614096670.db2.gz QUDGPZIOYNLREJ-CAOSSQGBSA-N 2 0 281.444 0.476 50 0 CCAARP CN1CC[NH+](C[C@H]2CCCN(C(=O)CC3C[NH2+]C3)C2)CC1 ZINC000952985798 616244364 /nfs/dbraw/zinc/24/43/64/616244364.db2.gz HIERKMUXLLPCMA-CQSZACIVSA-N 2 0 294.443 0.082 50 0 CCAARP COCC[N@@H+]1CCC[C@H](C(=O)NCCc2nccn2C)C1 ZINC000299775918 632870876 /nfs/dbraw/zinc/87/08/76/632870876.db2.gz LTPQJQUFYADLOM-ZDUSSCGKSA-N 2 0 294.399 0.437 50 0 CCAARP C[C@@H](C[N@H+](C)C[C@H]1[C@@H]2C[NH2+]C[C@H]12)N1CCOCC1 ZINC000952965031 649613149 /nfs/dbraw/zinc/61/31/49/649613149.db2.gz RKXIDMMWBWOYSI-IGQOVBAYSA-N 2 0 253.390 0.104 50 0 CCAARP CCO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)CC1CC[NH2+]CC1 ZINC000823350069 821516131 /nfs/dbraw/zinc/51/61/31/821516131.db2.gz HXJJVFHNXQECRP-STQMWFEESA-N 2 0 269.389 0.211 50 0 CCAARP CO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)CCC1CC[NH+](C)CC1 ZINC000824504920 821634728 /nfs/dbraw/zinc/63/47/28/821634728.db2.gz ZXSMTDAEORQQJL-KBPBESRZSA-N 2 0 283.416 0.554 50 0 CCAARP O=C(C[NH+]1CCCC1)NCCC[N@H+]1CCCC[C@@H]1CO ZINC000828711012 821811724 /nfs/dbraw/zinc/81/17/24/821811724.db2.gz YBTMZGOGEMDZQG-CQSZACIVSA-N 2 0 283.416 0.435 50 0 CCAARP O=C(CC1CC[NH2+]CC1)N1C[C@H](O)[C@@H]([NH+]2CCCC2)C1 ZINC000828896620 821847235 /nfs/dbraw/zinc/84/72/35/821847235.db2.gz AGMFDMLVCVXQCZ-KBPBESRZSA-N 2 0 281.400 0.044 50 0 CCAARP [NH3+]CCN(CCc1ccccc1)C(=O)[C@H]1C[NH2+]CCO1 ZINC000261760530 137018514 /nfs/dbraw/zinc/01/85/14/137018514.db2.gz QFVAVYQQDIGBRX-CQSZACIVSA-N 2 0 277.368 0.005 50 0 CCAARP C[N@H+](CCN1CCCC1=O)CC1CC[NH+](CCO)CC1 ZINC000070010941 348869074 /nfs/dbraw/zinc/86/90/74/348869074.db2.gz OAVITVQXYJVBNZ-UHFFFAOYSA-N 2 0 283.416 0.245 50 0 CCAARP C[NH2+]CC(=O)N1CCN(Cc2ccccc2)C[C@H]1C ZINC000168675092 350830140 /nfs/dbraw/zinc/83/01/40/350830140.db2.gz BFMDYLIUIZTUAP-CYBMUJFWSA-N 2 0 261.369 0.939 50 0 CCAARP C[C@@H]1CN(CCC[NH+]2CCCCC2)CC[N@@H+]1CCO ZINC000189246144 351661894 /nfs/dbraw/zinc/66/18/94/351661894.db2.gz ICDJMEOIATZISX-OAHLLOKOSA-N 2 0 269.433 0.861 50 0 CCAARP C[NH+](C)CCCOC1CCN(C(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000237102564 352243292 /nfs/dbraw/zinc/24/32/92/352243292.db2.gz FZNBWMLJNQZIIE-CQSZACIVSA-N 2 0 283.416 0.698 50 0 CCAARP C[NH+](C)CCn1ccc(NC(=O)C2CC[NH2+]CC2)n1 ZINC000236998398 189857984 /nfs/dbraw/zinc/85/79/84/189857984.db2.gz CRBFYFKKRKQSLY-UHFFFAOYSA-N 2 0 265.361 0.383 50 0 CCAARP C[N@H+]1[C@@H]2CC[C@H]1CC(OC(=O)CCN1CC[NH+](C)CC1)C2 ZINC000022918919 388798444 /nfs/dbraw/zinc/79/84/44/388798444.db2.gz YQPXDVZGMQYMBR-YIONKMFJSA-N 2 0 295.427 0.792 50 0 CCAARP Nc1nc(CCC[NH2+]C[C@]2(O)CCC[NH2+]C2)cs1 ZINC000072430680 388963772 /nfs/dbraw/zinc/96/37/72/388963772.db2.gz BLPAAJRQTOZWTL-GFCCVEGCSA-N 2 0 270.402 0.362 50 0 CCAARP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CC[NH2+]C[C@@H]2C)C1 ZINC000126099873 389169270 /nfs/dbraw/zinc/16/92/70/389169270.db2.gz LWJYCCPGEYSKOM-STQMWFEESA-N 2 0 253.390 0.785 50 0 CCAARP O[C@]1(C[NH2+]CCc2cnn(-c3ccccc3)c2)CC[NH2+]C1 ZINC000077392718 177262767 /nfs/dbraw/zinc/26/27/67/177262767.db2.gz WANSZEFIQNMVIQ-INIZCTEOSA-N 2 0 286.379 0.729 50 0 CCAARP CN(C)c1nc2c(c(N3CCC([NH3+])CC3)n1)CC[NH2+]C2 ZINC000067789802 273823983 /nfs/dbraw/zinc/82/39/83/273823983.db2.gz BDJLMMFZOHMMSB-UHFFFAOYSA-N 2 0 276.388 0.116 50 0 CCAARP CC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)CC(=O)N2CCOCC2)C1 ZINC000225339701 276075052 /nfs/dbraw/zinc/07/50/52/276075052.db2.gz HBWHRUBUQYISHA-HUUCEWRRSA-N 2 0 297.443 0.897 50 0 CCAARP C[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)[C@@H]1C[NH3+] ZINC000156955886 290424969 /nfs/dbraw/zinc/42/49/69/290424969.db2.gz LSNLAMFYNNCNIW-WCQYABFASA-N 2 0 253.390 0.914 50 0 CCAARP C[NH+]1CCC(OCCC[NH2+][C@@H]2CCS(=O)(=O)C2)CC1 ZINC000534575983 328309741 /nfs/dbraw/zinc/30/97/41/328309741.db2.gz BWCYMXBNBNYRMZ-GFCCVEGCSA-N 2 0 290.429 0.264 50 0 CCAARP Clc1cnn(CC[NH+]2CCC3(CC2)C[NH2+]CCO3)c1 ZINC000534630861 328331370 /nfs/dbraw/zinc/33/13/70/328331370.db2.gz FTANOJARXUCHIR-UHFFFAOYSA-N 2 0 284.791 0.991 50 0 CCAARP O=C(NC1(C[NH+]2CCCC2)CCCCC1)[C@@H]1C[NH2+]CCO1 ZINC000534664636 328344674 /nfs/dbraw/zinc/34/46/74/328344674.db2.gz SYIRENBZRBUUPQ-AWEZNQCLSA-N 2 0 295.427 0.890 50 0 CCAARP [NH3+]C1(C(=O)NCCC[N@@H+]2CCC[C@H](CO)C2)CCCC1 ZINC000670449260 545235772 /nfs/dbraw/zinc/23/57/72/545235772.db2.gz QMXBRYLOAWEWHN-ZDUSSCGKSA-N 2 0 283.416 0.469 50 0 CCAARP COCC[C@H]1CCC[N@H+](CC(=O)N2CC[NH2+]CC2)C1 ZINC000670474113 545237472 /nfs/dbraw/zinc/23/74/72/545237472.db2.gz BVTQDNFDACXZGO-CYBMUJFWSA-N 2 0 269.389 0.167 50 0 CCAARP N[C@@H](C[NH+]1CCCCC1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000888096409 631289269 /nfs/dbraw/zinc/28/92/69/631289269.db2.gz FVHVOWUDEIYMJH-DZGCQCFKSA-N 2 0 280.416 0.012 50 0 CCAARP C[C@H](CN1CC[NH+](C)CC1)[NH2+]CC1(Cn2ccnc2)CC1 ZINC000823789489 821541300 /nfs/dbraw/zinc/54/13/00/821541300.db2.gz WLNIBGHPTLGRJG-OAHLLOKOSA-N 2 0 291.443 0.889 50 0 CCAARP CC(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2C[NH2+]CCO2)cc1 ZINC000152004703 350516404 /nfs/dbraw/zinc/51/64/04/350516404.db2.gz LKLNWNSZDHWHBD-CABCVRRESA-N 2 0 291.395 0.914 50 0 CCAARP C[C@@H]1C[C@@H](N(C)C(=O)[C@@]2(C)CC[NH2+]C2)CC[N@@H+]1C ZINC000237565745 352271840 /nfs/dbraw/zinc/27/18/40/352271840.db2.gz PSZWLOFMBDIYRS-DYEKYZERSA-N 2 0 253.390 0.927 50 0 CCAARP OC[C@H](O)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000408409100 358078955 /nfs/dbraw/zinc/07/89/55/358078955.db2.gz SZEVUBPTGZLERW-CQSZACIVSA-N 2 0 256.390 0.726 50 0 CCAARP NC(=O)[C@H]1CCC[N@H+](Cc2ccc3c(c2)C[NH2+]CCO3)C1 ZINC000299789945 283349121 /nfs/dbraw/zinc/34/91/21/283349121.db2.gz ASWSWSHCXJFDAI-ZDUSSCGKSA-N 2 0 289.379 0.866 50 0 CCAARP C[NH+]1CCC(O)(CNC(=O)C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000584903708 359244256 /nfs/dbraw/zinc/24/42/56/359244256.db2.gz WKXZLHGGQMAWSY-CYBMUJFWSA-N 2 0 283.416 0.434 50 0 CCAARP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCS(C)(=O)=O)CC1 ZINC000069658857 388950504 /nfs/dbraw/zinc/95/05/04/388950504.db2.gz LEINZTQERGHSRM-LBPRGKRZSA-N 2 0 292.445 0.056 50 0 CCAARP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCn2cncn2)CC1 ZINC000069922696 388952517 /nfs/dbraw/zinc/95/25/17/388952517.db2.gz QHGRRYAOCCVDGL-ZDUSSCGKSA-N 2 0 281.404 0.303 50 0 CCAARP CC(=O)N1CC[N@H+](Cc2ccc(CC[NH3+])cc2)C[C@H](O)C1 ZINC000091595572 389023804 /nfs/dbraw/zinc/02/38/04/389023804.db2.gz WOBHSBQYBVNWRY-INIZCTEOSA-N 2 0 291.395 0.213 50 0 CCAARP CC(=O)N1CC[N@H+](Cc2ccc(CC[NH3+])cc2)C[C@@H](O)C1 ZINC000091595573 389024716 /nfs/dbraw/zinc/02/47/16/389024716.db2.gz WOBHSBQYBVNWRY-MRXNPFEDSA-N 2 0 291.395 0.213 50 0 CCAARP CC(C)C[NH+]1CCC([NH2+]CCn2ccnn2)CC1 ZINC000227993293 389152286 /nfs/dbraw/zinc/15/22/86/389152286.db2.gz UWRLZYYWYHFKRP-UHFFFAOYSA-N 2 0 251.378 0.988 50 0 CCAARP CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]([NH3+])C(C)C)C2)CC1 ZINC000170070456 389455196 /nfs/dbraw/zinc/45/51/96/389455196.db2.gz GNEHEJZDVCWJKK-KGLIPLIRSA-N 2 0 282.432 0.208 50 0 CCAARP Cc1ccsc1CN(CC[NH+](C)C)C(=O)C[NH3+] ZINC000055211452 292822308 /nfs/dbraw/zinc/82/23/08/292822308.db2.gz ULVLLASEDXVOMO-UHFFFAOYSA-N 2 0 255.387 0.905 50 0 CCAARP Cc1csc(CCC[NH2+]C[C@]2(O)CC[NH2+]C2)n1 ZINC000077318901 177252109 /nfs/dbraw/zinc/25/21/09/177252109.db2.gz ZPXIZGZVNCPMRP-GFCCVEGCSA-N 2 0 255.387 0.698 50 0 CCAARP Cn1cc(C[C@@H](C[NH3+])C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cn1 ZINC000685940736 545871322 /nfs/dbraw/zinc/87/13/22/545871322.db2.gz SHVSONWPQMMCHV-BPUTZDHNSA-N 3 0 291.443 0.598 50 0 CCAARP C[C@@]1(CC2=[NH+]CCN2)OC[C@H](C[NH+]2CCCCC2)O1 ZINC000012321013 289158894 /nfs/dbraw/zinc/15/88/94/289158894.db2.gz GGDSWLXRWLVKQE-GXTWGEPZSA-N 2 0 267.373 0.996 50 0 CCAARP C[C@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)[C@H](C)n1cccn1 ZINC000106790673 289963323 /nfs/dbraw/zinc/96/33/23/289963323.db2.gz NQVSQZYDAMLVTG-SOUVJXGZSA-N 2 0 295.431 0.031 50 0 CCAARP CC(C)(C)NC(=O)CC[N@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC000534642718 328329095 /nfs/dbraw/zinc/32/90/95/328329095.db2.gz RXDGXLXFSGFOSL-PTEHBNRSSA-N 2 0 253.390 0.960 50 0 CCAARP CC[NH+]1CCN(CC(=O)N[C@@H](C)c2nc(C)c[nH]2)CC1 ZINC000534638582 328334818 /nfs/dbraw/zinc/33/48/18/328334818.db2.gz DYBAUZMOEDDLQR-LBPRGKRZSA-N 2 0 279.388 0.533 50 0 CCAARP O=C(C[NH+]1CCCC1)NC1CC[NH+](C2CCOCC2)CC1 ZINC000670450779 545235937 /nfs/dbraw/zinc/23/59/37/545235937.db2.gz YYXYBMCODIOUPG-UHFFFAOYSA-N 2 0 295.427 0.842 50 0 CCAARP CO[C@H]1C[NH2+]C[C@@H]1NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000426420051 812795009 /nfs/dbraw/zinc/79/50/09/812795009.db2.gz MUYLNNDKOVZUAF-RYUDHWBXSA-N 2 0 255.406 0.872 50 0 CCAARP CN1CCC[N@H+](C[C@H]2CCOC2)CC12CC[NH2+]CC2 ZINC000426517749 812839128 /nfs/dbraw/zinc/83/91/28/812839128.db2.gz AUKOZARBVZYPIM-CQSZACIVSA-N 2 0 267.417 0.783 50 0 CCAARP C[N@@H+]1CCCC[C@@H]1CC(=O)NCCc1ncc[nH]1 ZINC000426705661 812984532 /nfs/dbraw/zinc/98/45/32/812984532.db2.gz JDYCKWUSIROOCX-LLVKDONJSA-N 2 0 250.346 0.943 50 0 CCAARP C[N@@H+]1CC[C@](C)(C(=O)NCC2CC[NH+](CCO)CC2)C1 ZINC000952870072 841573800 /nfs/dbraw/zinc/57/38/00/841573800.db2.gz RIGPOKFONWBXOI-HNNXBMFYSA-N 2 0 283.416 0.149 50 0 CCAARP C[C@](O)(C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1)C(F)(F)F ZINC000380765176 849691087 /nfs/dbraw/zinc/69/10/87/849691087.db2.gz QKZXSLFKVHZXSP-KOLCDFICSA-N 2 0 297.321 0.087 50 0 CCAARP CC(C)c1cc(N[C@@H]2C[C@@H](CO)[N@H+](C)C2)nc(N)[nH+]1 ZINC000095356605 349601846 /nfs/dbraw/zinc/60/18/46/349601846.db2.gz IQWQJJBFHLMIAZ-ZJUUUORDSA-N 2 0 265.361 0.659 50 0 CCAARP CC(C)NC(=O)C[NH2+]CC1CC[NH+](C[C@H](C)O)CC1 ZINC000069569063 348852577 /nfs/dbraw/zinc/85/25/77/348852577.db2.gz UPTOHYNMEMRKQQ-LBPRGKRZSA-N 2 0 271.405 0.193 50 0 CCAARP C[C@@H](C(=O)N1CCCC1)[N@H+](C)CC1CC[NH+](CCO)CC1 ZINC000069950118 348867218 /nfs/dbraw/zinc/86/72/18/348867218.db2.gz DLCZXXFRLNTERZ-AWEZNQCLSA-N 2 0 297.443 0.633 50 0 CCAARP Cc1cc(N2CC[NH+](C[C@@H](O)C(C)(C)C)CC2)nc(N)[nH+]1 ZINC000070038364 348869690 /nfs/dbraw/zinc/86/96/90/348869690.db2.gz HCUXLESADQBQQD-GFCCVEGCSA-N 2 0 293.415 0.896 50 0 CCAARP O[C@]1(CN2CCC[N@H+](Cc3ccncc3)CC2)CC[NH2+]C1 ZINC000107114502 186159911 /nfs/dbraw/zinc/15/99/11/186159911.db2.gz WGFJGYBKAGJRDU-MRXNPFEDSA-N 2 0 290.411 0.314 50 0 CCAARP CC[C@H]([NH3+])C(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000299752475 354046302 /nfs/dbraw/zinc/04/63/02/354046302.db2.gz UFVOFQIGEOBOJB-ILXRZTDVSA-N 2 0 291.395 0.475 50 0 CCAARP CCC[NH+]1CCC(N2C[C@H]([NH3+])C[C@H]2C(=O)NC(C)C)CC1 ZINC000299785965 354051568 /nfs/dbraw/zinc/05/15/68/354051568.db2.gz MXKGUCLCRIZLMG-HIFRSBDPSA-N 2 0 296.459 0.787 50 0 CCAARP [NH3+]C[C@H](NC(=O)[C@H]1C[NH2+]CCO1)c1ccc2ccccc2c1 ZINC000193406288 283494016 /nfs/dbraw/zinc/49/40/16/283494016.db2.gz NKQWGUIULYSPNU-JKSUJKDBSA-N 2 0 299.374 0.944 50 0 CCAARP O=C(NCC[NH2+]C[C@]1(O)CCC[NH2+]C1)c1ccc(F)cc1 ZINC000072418295 388962592 /nfs/dbraw/zinc/96/25/92/388962592.db2.gz OFTBGVCLEPYVJA-HNNXBMFYSA-N 2 0 295.358 0.260 50 0 CCAARP COCC[N@H+](C)CCN1CC2(CC[NH+](C)CC2)OC1=O ZINC000072421594 388962738 /nfs/dbraw/zinc/96/27/38/388962738.db2.gz ZVSMEGBQUNPECL-UHFFFAOYSA-N 2 0 285.388 0.481 50 0 CCAARP OC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2c1cn(C2CC[NH2+]CC2)nn1 ZINC000070633572 388955298 /nfs/dbraw/zinc/95/52/98/388955298.db2.gz IJKFFIPPBBAMEY-YUTCNCBUSA-N 2 0 291.399 0.373 50 0 biogenic CCAARP O[C@@]1(C[NH+]2CCC(OCc3cccnc3)CC2)CC[NH2+]C1 ZINC000072409997 176398501 /nfs/dbraw/zinc/39/85/01/176398501.db2.gz UXRXEWLKQLTLKS-INIZCTEOSA-N 2 0 291.395 0.787 50 0 CCAARP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cnn(C)c2)CC1 ZINC000069897160 278395765 /nfs/dbraw/zinc/39/57/65/278395765.db2.gz AYVBOXYBIVVVDN-CYBMUJFWSA-N 2 0 280.416 0.945 50 0 CCAARP CC1(C)[NH2+]CC[C@@H]1NC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000335347295 281396987 /nfs/dbraw/zinc/39/69/87/281396987.db2.gz YEIQCQZGTWGOKD-QWRGUYRKSA-N 2 0 251.374 0.633 50 0 CCAARP CC1(C)[NH2+]CC[C@H]1NC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000335347292 281397771 /nfs/dbraw/zinc/39/77/71/281397771.db2.gz YEIQCQZGTWGOKD-GHMZBOCLSA-N 2 0 251.374 0.633 50 0 CCAARP O=C([C@H]1C[NH2+]CCO1)N1CCC[N@@H+](C2CCCCC2)CC1 ZINC000534637671 328334382 /nfs/dbraw/zinc/33/43/82/328334382.db2.gz SXEDWZONHWBSHJ-OAHLLOKOSA-N 2 0 295.427 0.842 50 0 CCAARP CS(=O)(=O)Nc1ccc([C@@H]2C[NH2+]CC[C@@H]2[NH3+])cc1 ZINC000757207389 581698462 /nfs/dbraw/zinc/69/84/62/581698462.db2.gz ATIRCNZRYHPLEQ-RYUDHWBXSA-N 2 0 269.370 0.462 50 0 CCAARP C(CN1CC[NH2+]CC1)[NH2+]C1CSCCSC1 ZINC000426503939 812838851 /nfs/dbraw/zinc/83/88/51/812838851.db2.gz DMSAPTVVMZLEHL-UHFFFAOYSA-N 2 0 261.460 0.330 50 0 CCAARP C[C@@H](C(=O)NCC1(O)CC[NH+](C)CC1)[NH+]1CCCCC1 ZINC000823761222 821535295 /nfs/dbraw/zinc/53/52/95/821535295.db2.gz XNIVEVUONHQYOK-ZDUSSCGKSA-N 2 0 283.416 0.434 50 0 CCAARP COCC[N@@H+]1CCC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC000824413214 821630559 /nfs/dbraw/zinc/63/05/59/821630559.db2.gz WJFCDULRGAEHRK-AWEZNQCLSA-N 2 0 283.416 0.557 50 0 CCAARP [NH3+]C[C@@H](NC(=O)C[C@@H]1COCC[NH2+]1)C1CCCCC1 ZINC000262242155 137033018 /nfs/dbraw/zinc/03/30/18/137033018.db2.gz RPZXNJWHKWIYRK-CHWSQXEVSA-N 2 0 269.389 0.389 50 0 CCAARP C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)C(N)=O ZINC000032590334 348135428 /nfs/dbraw/zinc/13/54/28/348135428.db2.gz QXSKTAGNCHVWGH-LLVKDONJSA-N 2 0 265.357 0.590 50 0 CCAARP C[NH+](C)[C@H](CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1)c1cccs1 ZINC000040827189 348243264 /nfs/dbraw/zinc/24/32/64/348243264.db2.gz IRAOEEMJUAFJBR-GARJFASQSA-N 2 0 283.397 0.190 50 0 CCAARP CC(C)(C)NC1=[NH+][C@H]2CCN(C2)C12CC[NH2+]CC2 ZINC000169676296 350838242 /nfs/dbraw/zinc/83/82/42/350838242.db2.gz VJNNTYHBSKVMRA-NSHDSACASA-N 2 0 250.390 0.983 50 0 CCAARP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)CC(=O)N2CCOCC2)C1 ZINC000170602806 350847573 /nfs/dbraw/zinc/84/75/73/350847573.db2.gz HBWHRUBUQYISHA-GJZGRUSLSA-N 2 0 297.443 0.897 50 0 CCAARP C[N@@H+]1CCCN(c2cc([C@H]3C[C@@H]([NH3+])C3)nc(N)n2)CC1 ZINC000244899680 352315556 /nfs/dbraw/zinc/31/55/56/352315556.db2.gz ZNXAWKQBXANVOW-PHIMTYICSA-N 2 0 276.388 0.405 50 0 CCAARP C[C@@H](O)[C@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000299756440 354047687 /nfs/dbraw/zinc/04/76/87/354047687.db2.gz FDAGVBGRBAXLSO-DOMZBBRYSA-N 2 0 291.395 0.607 50 0 CCAARP C[NH+](C)C[C@](C)(O)c1ccc2c(c1)C[NH2+]CCO2 ZINC000299767106 354049615 /nfs/dbraw/zinc/04/96/15/354049615.db2.gz CQOHRAJIULTSLL-AWEZNQCLSA-N 2 0 250.342 0.938 50 0 CCAARP C[NH+](C)CC1(CO)CC[NH+]([C@H]2CCCOC2)CC1 ZINC000584900894 359241344 /nfs/dbraw/zinc/24/13/44/359241344.db2.gz OFROZKOBNKIWBC-ZDUSSCGKSA-N 2 0 256.390 0.802 50 0 CCAARP C[NH2+][C@@H]1CCCN(C(=O)[C@H](C[NH3+])c2ccccc2)C1 ZINC000178596398 189129907 /nfs/dbraw/zinc/12/99/07/189129907.db2.gz MKMZPLLHFPVRNA-ZIAGYGMSSA-N 2 0 261.369 0.939 50 0 CCAARP CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000067672916 175781999 /nfs/dbraw/zinc/78/19/99/175781999.db2.gz QLNKQTJCENVNDB-YPMHNXCESA-N 2 0 296.459 0.833 50 0 CCAARP C[NH2+]CCN1C(=O)CC[C@H]2C[N@@H+](Cc3cnc[nH]3)CC[C@H]21 ZINC000072410869 176398263 /nfs/dbraw/zinc/39/82/63/176398263.db2.gz RTETVLMEJXDYJG-GXTWGEPZSA-N 2 0 291.399 0.442 50 0 CCAARP CN(CC[NH+]1CCCCCC1)C(=O)[C@@H]1C=CC[NH2+]1 ZINC000534587460 328316103 /nfs/dbraw/zinc/31/61/03/328316103.db2.gz NJXUWYDDBBUIDS-ZDUSSCGKSA-N 2 0 251.374 0.849 50 0 CCAARP [NH3+][C@@H]1CCN(C(=O)C2CC[NH+](C3CCOCC3)CC2)C1 ZINC000534653247 328338301 /nfs/dbraw/zinc/33/83/01/328338301.db2.gz JRMGPMFEBVVEDF-CYBMUJFWSA-N 2 0 281.400 0.437 50 0 CCAARP CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCC(CO)CC1 ZINC000952986236 615143570 /nfs/dbraw/zinc/14/35/70/615143570.db2.gz KJFUMTCZVXQFMZ-AWEZNQCLSA-N 2 0 283.416 0.291 50 0 CCAARP C[C@H](C[N@H+](C)C[C@H]1[C@@H]2C[NH2+]C[C@H]12)N1CCOCC1 ZINC000952965037 649613435 /nfs/dbraw/zinc/61/34/35/649613435.db2.gz RKXIDMMWBWOYSI-MQYQWHSLSA-N 2 0 253.390 0.104 50 0 CCAARP CC(C)[NH+]1CCN(CN2CC[NH+](C(C)C)CC2)CC1 ZINC000725377890 811346186 /nfs/dbraw/zinc/34/61/86/811346186.db2.gz FLCYBVMCWNWFAZ-UHFFFAOYSA-N 2 0 268.449 0.996 50 0 CCAARP CC[N@@H+]1CCC[C@H]1CN1CCC2(CC1)C[NH2+]CCO2 ZINC000823110195 821508148 /nfs/dbraw/zinc/50/81/48/821508148.db2.gz MZAPVCWMRUKGDE-AWEZNQCLSA-N 2 0 267.417 0.925 50 0 CCAARP COCC[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000824412446 821630745 /nfs/dbraw/zinc/63/07/45/821630745.db2.gz TUXXVAXGDJLZBQ-HNNXBMFYSA-N 2 0 297.443 0.945 50 0 CCAARP CC[NH+]1CCC2(CCC[N@H+](C[C@H](O)CO)C2)CC1 ZINC000828655350 821798201 /nfs/dbraw/zinc/79/82/01/821798201.db2.gz SWDQKHVMPLVBTM-ZDUSSCGKSA-N 2 0 256.390 0.538 50 0 CCAARP CC[C@@H](C(=O)N1CCC(CO)(C[NH+](C)C)CC1)[N@H+](C)CC ZINC000952873820 841579542 /nfs/dbraw/zinc/57/95/42/841579542.db2.gz OWQPUNRDLYYQIL-AWEZNQCLSA-N 2 0 299.459 0.879 50 0 CCAARP COCC[N@@H+]1CC[C@@H](CN(C)C(=O)C2([NH3+])CCCC2)C1 ZINC001506415661 894853872 /nfs/dbraw/zinc/85/38/72/894853872.db2.gz APXASFZRJSUUQB-ZDUSSCGKSA-N 2 0 283.416 0.685 50 0 CCAARP COC(C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1)OC ZINC000253426364 352535835 /nfs/dbraw/zinc/53/58/35/352535835.db2.gz GWAAQJIEFULRFM-UHFFFAOYSA-N 2 0 299.459 0.955 50 0 CCAARP C[NH+](C)[C@H](CNC(=O)[C@H]1C[C@H](O)C[NH2+]1)c1cccs1 ZINC000040827192 348243280 /nfs/dbraw/zinc/24/32/80/348243280.db2.gz IRAOEEMJUAFJBR-HBNTYKKESA-N 2 0 283.397 0.190 50 0 CCAARP C[N@@H+](CC(=O)NCC1CC1)CC1CC[NH+](CCO)CC1 ZINC000069628253 348855954 /nfs/dbraw/zinc/85/59/54/348855954.db2.gz YALAYOREJXKDCM-UHFFFAOYSA-N 2 0 283.416 0.149 50 0 CCAARP Cc1cc(N2CC[NH+](C[C@H](O)C(C)(C)C)CC2)nc(N)[nH+]1 ZINC000070038362 348869966 /nfs/dbraw/zinc/86/99/66/348869966.db2.gz HCUXLESADQBQQD-LBPRGKRZSA-N 2 0 293.415 0.896 50 0 CCAARP [NH3+][C@@H]1CC[C@H](C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000072475516 348922263 /nfs/dbraw/zinc/92/22/63/348922263.db2.gz JERFQKHIYBAEAS-QWHCGFSZSA-N 2 0 274.368 0.858 50 0 CCAARP Cc1cc(NCC[C@H](C)[NH+]2CCN(C)CC2)nc(N)[nH+]1 ZINC000091254841 180114586 /nfs/dbraw/zinc/11/45/86/180114586.db2.gz RITDSKDDGNZWGY-LBPRGKRZSA-N 2 0 278.404 0.805 50 0 CCAARP C[NH+](C)C[C@@H]1C[N@H+](Cc2cccc(CC[NH3+])c2)C[C@@H]1CO ZINC000091551831 180189590 /nfs/dbraw/zinc/18/95/90/180189590.db2.gz DLCWNRGKGZYNJR-IAGOWNOFSA-N 3 0 291.439 0.790 50 0 CCAARP [NH3+]Cc1nn(CC[NH+]2CCCC2)c(=O)c2ccccc21 ZINC000169725134 350838495 /nfs/dbraw/zinc/83/84/95/350838495.db2.gz QQRPIOGDYDPEDB-UHFFFAOYSA-N 2 0 272.352 0.951 50 0 CCAARP CN(C)c1ccc(CN2CCN([C@@H]3CC[NH2+]C3)CC2)cn1 ZINC000215135553 351934168 /nfs/dbraw/zinc/93/41/68/351934168.db2.gz KSZFJSJEUFHADB-OAHLLOKOSA-N 2 0 289.427 0.627 50 0 CCAARP O=C([C@H]1C[NH2+]CCO1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000333480098 296138143 /nfs/dbraw/zinc/13/81/43/296138143.db2.gz BIHNABZBCBFJHB-ZIAGYGMSSA-N 2 0 275.352 0.148 50 0 CCAARP CC[N@@H+]1CC[C@H]([NH+](C)CCn2cncn2)[C@H](C)C1 ZINC000079462586 388996648 /nfs/dbraw/zinc/99/66/48/388996648.db2.gz VINIXQAKHNTVQY-OLZOCXBDSA-N 2 0 251.378 0.940 50 0 CCAARP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)CC[NH3+])C[C@H](C)O1 ZINC000237675694 389192987 /nfs/dbraw/zinc/19/29/87/389192987.db2.gz GWECDHHUUJRMAP-FRRDWIJNSA-N 2 0 269.389 0.435 50 0 CCAARP [NH3+][C@H]1CC[C@@H](CN2CCO[C@@]3(C2)C[NH2+]CCOC3)CC1 ZINC000244691583 389204681 /nfs/dbraw/zinc/20/46/81/389204681.db2.gz JFIXZGXGOBCKGX-QLFBSQMISA-N 2 0 283.416 0.195 50 0 CCAARP [NH3+][C@@H]1C[NH2+]CC[C@@H]1[C@H]1CC[C@H](C(F)(F)F)NC1 ZINC000757215687 581699360 /nfs/dbraw/zinc/69/93/60/581699360.db2.gz WYYGDDNDDMKZKV-SGIHWFKDSA-N 2 0 251.296 0.854 50 0 CCAARP O=C(CC[NH+]1Cc2ccccc2C1)N[C@@H]1CC[NH2+]C[C@H]1O ZINC000077488644 177274332 /nfs/dbraw/zinc/27/43/32/177274332.db2.gz DNVCUSJXSCXBLD-HUUCEWRRSA-N 2 0 289.379 0.231 50 0 CCAARP CN1CC2(CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)OC1=O ZINC000072418670 289865565 /nfs/dbraw/zinc/86/55/65/289865565.db2.gz XNLGZUHMHKJTKB-LBPRGKRZSA-N 2 0 267.373 0.903 50 0 CCAARP CC(C)(CNC(=O)C[C@@H]1C[NH2+]CCO1)[NH+]1CCCC1 ZINC000534634016 328332921 /nfs/dbraw/zinc/33/29/21/328332921.db2.gz UTTYVQJUKSEFBA-GFCCVEGCSA-N 2 0 269.389 0.356 50 0 CCAARP [NH3+][C@@H]1CC[NH2+][C@H]([C@H]2CC[C@@H](C(F)(F)F)NC2)C1 ZINC000757215660 581688543 /nfs/dbraw/zinc/68/85/43/581688543.db2.gz WOHMZBZVPKGQFU-JXUBOQSCSA-N 2 0 251.296 0.996 50 0 CCAARP [NH3+][C@@H]1C[NH2+]C[C@H]([C@@H]2CC[C@H](C(F)(F)F)NC2)C1 ZINC000757213239 581699303 /nfs/dbraw/zinc/69/93/03/581699303.db2.gz PLIAAMRPHXVDHD-DOLQZWNJSA-N 2 0 251.296 0.854 50 0 CCAARP CCC(CC)(C[NH3+])CN1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000888097745 614522640 /nfs/dbraw/zinc/52/26/40/614522640.db2.gz NWUXGGXRWPFICU-UONOGXRCSA-N 2 0 279.432 0.912 50 0 CCAARP O=C(C[NH+]1CCCCCC1)NC[C@@H](O)C[NH+]1CCCC1 ZINC000952977056 649614119 /nfs/dbraw/zinc/61/41/19/649614119.db2.gz ZNCIBQIDJNOLHL-CQSZACIVSA-N 2 0 283.416 0.435 50 0 CCAARP C[C@H](CN1CCN(C)CC1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000823789150 821541590 /nfs/dbraw/zinc/54/15/90/821541590.db2.gz MTSUTEAIAVYSDE-OAHLLOKOSA-N 2 0 280.460 0.698 50 0 CCAARP NC(=O)C[NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000075602893 349040852 /nfs/dbraw/zinc/04/08/52/349040852.db2.gz UWBRINVKGCOTIP-OAHLLOKOSA-N 2 0 291.395 0.507 50 0 CCAARP C[C@H]([NH3+])C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000166612610 350800307 /nfs/dbraw/zinc/80/03/07/350800307.db2.gz ZOUJTTOHTCIQMB-MCIONIFRSA-N 2 0 282.432 0.351 50 0 CCAARP CSCC[C@H]([NH3+])C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000170678181 350852706 /nfs/dbraw/zinc/85/27/06/350852706.db2.gz FOBNMDXKGIUFIB-ZDUSSCGKSA-N 2 0 294.424 0.811 50 0 CCAARP C[NH+]1CCC(O)(C(=O)NC(C)(C)C[NH+]2CCCCC2)CC1 ZINC000584896888 359237103 /nfs/dbraw/zinc/23/71/03/359237103.db2.gz YBJFQVFUNFDZMF-UHFFFAOYSA-N 2 0 297.443 0.824 50 0 CCAARP COCC[N@@H+]1CCC[C@@H](CN(C)C(=O)C[NH+]2CCCC2)C1 ZINC000584898051 359238126 /nfs/dbraw/zinc/23/81/26/359238126.db2.gz CBCXIAPEZSLETO-HNNXBMFYSA-N 2 0 297.443 0.899 50 0 CCAARP CN(C[C@@H]1CCC[N@H+](CCO)C1)C(=O)C[NH+]1CCCC1 ZINC000584898264 359239584 /nfs/dbraw/zinc/23/95/84/359239584.db2.gz QKEZQTXWDVRPKX-AWEZNQCLSA-N 2 0 283.416 0.245 50 0 CCAARP Cn1c2ccc(C[NH2+]CC3CC[NH2+]CC3)cc2n(C)c1=O ZINC000010434709 388768152 /nfs/dbraw/zinc/76/81/52/388768152.db2.gz NTGCPHHTXFUFGM-UHFFFAOYSA-N 2 0 288.395 0.966 50 0 CCAARP O[C@]1(C[NH+]2CCC(CCn3cccn3)CC2)CC[NH2+]C1 ZINC000072424719 388963672 /nfs/dbraw/zinc/96/36/72/388963672.db2.gz QGFWPICBOPQYCC-OAHLLOKOSA-N 2 0 278.400 0.710 50 0 CCAARP O[C@@]1(C[NH+]2CCC(c3cc[nH]n3)CC2)CCC[NH2+]C1 ZINC000072478958 388965602 /nfs/dbraw/zinc/96/56/02/388965602.db2.gz FOWQUYIVFDGPNG-AWEZNQCLSA-N 2 0 264.373 0.704 50 0 CCAARP CCn1nc(C)c(CC[NH2+]C[C@]2(O)CC[NH2+]C2)c1C ZINC000072476120 388965835 /nfs/dbraw/zinc/96/58/35/388965835.db2.gz GGZMTXACGQHQDW-CQSZACIVSA-N 2 0 266.389 0.376 50 0 CCAARP CC(C)C[N@@H+]1CCCn2nc(CNC(=O)CC[NH3+])cc2C1 ZINC000082137766 277399403 /nfs/dbraw/zinc/39/94/03/277399403.db2.gz SXOQGONFNBLAMD-UHFFFAOYSA-N 2 0 293.415 0.710 50 0 CCAARP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[C@H]2[NH3+])C1 ZINC000299738529 279036386 /nfs/dbraw/zinc/03/63/86/279036386.db2.gz BYYFCJOPRSAGSS-RWMBFGLXSA-N 2 0 253.390 0.914 50 0 CCAARP Cc1nonc1C[N@H+]1CCCN(C)C2(CC[NH2+]CC2)C1 ZINC000534637701 328334607 /nfs/dbraw/zinc/33/46/07/328334607.db2.gz CWXDIWLVJIGRFI-UHFFFAOYSA-N 2 0 279.388 0.638 50 0 CCAARP O=C([C@@H]1C=CC[NH2+]1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000534670029 328347078 /nfs/dbraw/zinc/34/70/78/328347078.db2.gz OYDUBGCCRIIUMV-ZDUSSCGKSA-N 2 0 258.325 0.258 50 0 CCAARP C[N@H+](CC(=O)NCCC[NH+]1CCC[C@H](O)C1)C1CCCC1 ZINC000670461981 545236607 /nfs/dbraw/zinc/23/66/07/545236607.db2.gz BJCAVJXAIUGWFY-HNNXBMFYSA-N 2 0 297.443 0.824 50 0 CCAARP C[NH+](C)C[C@H]1COCCN(C(=O)C[NH+]2CCCCCC2)C1 ZINC000670465601 545237068 /nfs/dbraw/zinc/23/70/68/545237068.db2.gz SECDYLLMVNVUBD-OAHLLOKOSA-N 2 0 297.443 0.899 50 0 CCAARP C[C@H](CS(C)(=O)=O)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000426388097 812766396 /nfs/dbraw/zinc/76/63/96/812766396.db2.gz ALYINELCFRBTHS-LLVKDONJSA-N 2 0 260.403 0.495 50 0 CCAARP O[C@@H]1C[NH2+]CC[C@H]1C[NH2+]C1CSCCSC1 ZINC000426388361 812766499 /nfs/dbraw/zinc/76/64/99/812766499.db2.gz DOGSSPGYSSYTAY-GXSJLCMTSA-N 2 0 262.444 0.395 50 0 CCAARP CC(C)n1cnnc1CC[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000823789487 821541632 /nfs/dbraw/zinc/54/16/32/821541632.db2.gz WKCJNPUQUZRBGO-CQSZACIVSA-N 2 0 294.447 0.627 50 0 CCAARP COCC[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC000824412485 821630449 /nfs/dbraw/zinc/63/04/49/821630449.db2.gz XMPSFAVSIXCEPX-ZDUSSCGKSA-N 2 0 269.389 0.167 50 0 CCAARP COCC[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000824412447 821630845 /nfs/dbraw/zinc/63/08/45/821630845.db2.gz TUXXVAXGDJLZBQ-OAHLLOKOSA-N 2 0 297.443 0.945 50 0 CCAARP Cc1nncn1CC[NH+]1CCC2(CC1)C[NH2+]CCO2 ZINC000825297081 821651731 /nfs/dbraw/zinc/65/17/31/821651731.db2.gz YBCQJPVDFKCJAB-UHFFFAOYSA-N 2 0 265.361 0.041 50 0 CCAARP C[NH+](C)C1(CNC(=O)[C@H]2C=CC[NH2+]2)CCCCC1 ZINC000827690924 821688490 /nfs/dbraw/zinc/68/84/90/821688490.db2.gz NQBFCRJHMAMYKW-GFCCVEGCSA-N 2 0 251.374 0.895 50 0 CCAARP O=C1CC[C@H]([NH2+]C2CC[NH+](C3CCOCC3)CC2)CCN1 ZINC000828305395 821757368 /nfs/dbraw/zinc/75/73/68/821757368.db2.gz LATTVMCZWJMCJZ-ZDUSSCGKSA-N 2 0 295.427 0.888 50 0 CCAARP CCN(CC)C(=O)[C@@H]1C[C@@H](n2cc(C(C)(C)[NH3+])nn2)C[NH2+]1 ZINC000067820847 348785848 /nfs/dbraw/zinc/78/58/48/348785848.db2.gz XZSUXHQGGBFQPW-MNOVXSKESA-N 2 0 294.403 0.243 50 0 CCAARP C[NH+](C)CC1CC[NH+](CCC(=O)N2CCOCC2)CC1 ZINC000069444412 348845783 /nfs/dbraw/zinc/84/57/83/348845783.db2.gz YWSPHVSQJGSIGA-UHFFFAOYSA-N 2 0 283.416 0.509 50 0 CCAARP COCC[NH+]1CCN(C[C@H](O)C[NH+]2CCC(C)CC2)CC1 ZINC000069627591 348855568 /nfs/dbraw/zinc/85/55/68/348855568.db2.gz CMOJEGPJZQGRNT-MRXNPFEDSA-N 2 0 299.459 0.343 50 0 CCAARP CN(CC(=O)NC[C@]1(O)CC[NH2+]C1)Cc1ccc(F)cc1 ZINC000244787892 352313593 /nfs/dbraw/zinc/31/35/93/352313593.db2.gz QFSCLMIDAGJEKJ-HNNXBMFYSA-N 2 0 295.358 0.098 50 0 CCAARP C[C@@H]([NH3+])C(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000157403608 188315490 /nfs/dbraw/zinc/31/54/90/188315490.db2.gz SAPGMSGFKBGELV-SNVBAGLBSA-N 2 0 255.387 0.986 50 0 CCAARP C[C@@H](C(=O)NCC[NH+]1CCC(O)CC1)[NH+]1CCCCCC1 ZINC000333969486 354823452 /nfs/dbraw/zinc/82/34/52/354823452.db2.gz USSGPPYIPAEJLF-AWEZNQCLSA-N 2 0 297.443 0.824 50 0 CCAARP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000252423432 131134466 /nfs/dbraw/zinc/13/44/66/131134466.db2.gz WLIHDBWUBSTVDV-FRRDWIJNSA-N 2 0 269.389 0.090 50 0 CCAARP C[NH+](C)C[C@](C)(O)CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000090776331 289222643 /nfs/dbraw/zinc/22/26/43/289222643.db2.gz NYPLLELCFRUTBY-BFHYXJOUSA-N 2 0 255.406 0.515 50 0 CCAARP COc1cc(NC(=[NH2+])NC(N)=[NH2+])cc(OC)c1OC ZINC000020286646 171133392 /nfs/dbraw/zinc/13/33/92/171133392.db2.gz RIVSLRYFRNAXTI-UHFFFAOYSA-N 2 0 267.289 0.542 50 0 CCAARP O[C@H]1C[C@H]([C@@H]([NH2+]C2CCOCC2)C2CC[NH2+]CC2)C1 ZINC000244574790 304842736 /nfs/dbraw/zinc/84/27/36/304842736.db2.gz CRLLCFQQLQXTOB-QEJZJMRPSA-N 2 0 268.401 0.894 50 0 CCAARP O=C(CCC[NH+]1Cc2ccccc2C1)N[C@@H]1C[NH2+]C[C@H]1O ZINC000534644710 328330344 /nfs/dbraw/zinc/33/03/44/328330344.db2.gz CHNFIPBZFIXOBZ-HUUCEWRRSA-N 2 0 289.379 0.231 50 0 CCAARP [NH3+]C1(C(=O)NCCC[N@@H+]2CCC[C@@H](CO)C2)CCCC1 ZINC000670449259 545235786 /nfs/dbraw/zinc/23/57/86/545235786.db2.gz QMXBRYLOAWEWHN-CYBMUJFWSA-N 2 0 283.416 0.469 50 0 CCAARP CCC[NH+]1CCC(CC(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000952969850 614618225 /nfs/dbraw/zinc/61/82/25/614618225.db2.gz GMEFWXAAOZXDNV-AWEZNQCLSA-N 2 0 283.416 0.685 50 0 CCAARP CCOC(=O)N1CCC([NH2+]C[C@@H]2CC[NH2+]C[C@H]2O)CC1 ZINC000072128934 624818211 /nfs/dbraw/zinc/81/82/11/624818211.db2.gz ZDINPJPGDOQGBL-WCQYABFASA-N 2 0 285.388 0.167 50 0 CCAARP CC[C@H](Cn1ccnc1)NC(=O)CCCN1CCOCC1 ZINC000822619973 821490973 /nfs/dbraw/zinc/49/09/73/821490973.db2.gz VKKNFIHYWGSMSH-CQSZACIVSA-N 2 0 294.399 0.890 50 0 CCAARP CC[NH+]1CCC2(CCC[N@H+](C[C@@H](O)CO)C2)CC1 ZINC000828655349 821797638 /nfs/dbraw/zinc/79/76/38/821797638.db2.gz SWDQKHVMPLVBTM-CYBMUJFWSA-N 2 0 256.390 0.538 50 0 CCAARP CCc1c(C)[nH+]c(N)nc1N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000095378702 349604917 /nfs/dbraw/zinc/60/49/17/349604917.db2.gz QJAZVTBOINKCGO-QWRGUYRKSA-N 2 0 265.361 0.041 50 0 CCAARP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)N2CCC2)CC1 ZINC000069901502 290084377 /nfs/dbraw/zinc/08/43/77/290084377.db2.gz FBZPNAOZEOWSJT-ZDUSSCGKSA-N 2 0 283.416 0.243 50 0 CCAARP Cc1ccccc1CCNC(=O)[C@@]12C[NH2+]C[C@@H]1C[N@@H+](C)C2 ZINC000065526015 348720478 /nfs/dbraw/zinc/72/04/78/348720478.db2.gz YSDHWMCIBIOGGX-NVXWUHKLSA-N 2 0 287.407 0.805 50 0 CCAARP CN(CCC[NH+](C)C)c1cc(C2CC([NH3+])C2)nc(N)n1 ZINC000218949350 351963175 /nfs/dbraw/zinc/96/31/75/351963175.db2.gz GONZYMOWQFHSFO-UHFFFAOYSA-N 2 0 278.404 0.651 50 0 CCAARP CCC[NH+]1CCC(N2C[C@@H]([NH3+])C[C@H]2C(=O)NCC)CC1 ZINC000299758218 354047160 /nfs/dbraw/zinc/04/71/60/354047160.db2.gz PQDLGWIUSWIPDQ-JSGCOSHPSA-N 2 0 282.432 0.399 50 0 CCAARP C[NH+](C)C1(CNC(=O)C2(O)CC[NH+](C)CC2)CCCCC1 ZINC000584898638 359239098 /nfs/dbraw/zinc/23/90/98/359239098.db2.gz AYXLZTKLJXCPEB-UHFFFAOYSA-N 2 0 297.443 0.824 50 0 CCAARP CC[N@@H+]1CC[C@H](N(C)C(=O)C[NH2+]CCOC)[C@@H](C)C1 ZINC000236848125 389175361 /nfs/dbraw/zinc/17/53/61/389175361.db2.gz CGTGPUFEEGDMNX-STQMWFEESA-N 2 0 271.405 0.411 50 0 CCAARP CC[N@@H+]1CC[C@H](N(C)C(=O)C[NH2+]C[C@H]2CCCO2)[C@H](C)C1 ZINC000299740157 285385175 /nfs/dbraw/zinc/38/51/75/285385175.db2.gz WIXHQCFPSGMOEN-KFWWJZLASA-N 2 0 297.443 0.944 50 0 CCAARP O[C@]1(C[NH2+]CCCn2nnc3ccccc32)CC[NH2+]C1 ZINC000077340165 177254157 /nfs/dbraw/zinc/25/41/57/177254157.db2.gz JKPLKKFRASBNDZ-AWEZNQCLSA-N 2 0 275.356 0.135 50 0 CCAARP C[C@H](C(N)=O)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000058401930 278159428 /nfs/dbraw/zinc/15/94/28/278159428.db2.gz JIAHPSJYQUQKNE-GFCCVEGCSA-N 2 0 269.389 0.295 50 0 CCAARP COCC[N@@H+]1CC[C@@H](C(=O)NCC2([NH+](C)C)CCCC2)C1 ZINC000534574583 328309537 /nfs/dbraw/zinc/30/95/37/328309537.db2.gz ZNWHJZLHXOYSLC-CQSZACIVSA-N 2 0 297.443 0.945 50 0 CCAARP O=C(NCCc1cn2ccccc2n1)[C@@H]1C=CC[NH2+]1 ZINC000534656611 328340189 /nfs/dbraw/zinc/34/01/89/328340189.db2.gz XHLRCUDLTIZOBC-LBPRGKRZSA-N 2 0 256.309 0.521 50 0 CCAARP O=C(NCCc1cn2ccccc2n1)[C@H]1C=CC[NH2+]1 ZINC000534656610 328340232 /nfs/dbraw/zinc/34/02/32/328340232.db2.gz XHLRCUDLTIZOBC-GFCCVEGCSA-N 2 0 256.309 0.521 50 0 CCAARP CC1(C)[C@H]([NH2+]CCN2CCCC2=O)[C@@H]2CCC[NH2+][C@H]21 ZINC000693665741 791673827 /nfs/dbraw/zinc/67/38/27/791673827.db2.gz GAMLYKLRAHUBKM-MRVWCRGKSA-N 2 0 265.401 0.975 50 0 CCAARP CC[NH+]1CCN(CC(=O)NC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000823112850 821508490 /nfs/dbraw/zinc/50/84/90/821508490.db2.gz IYNYTOLFWYUTFC-CQSZACIVSA-N 2 0 282.432 0.224 50 0 CCAARP CN1CCC(CNc2nccc(N)n2)([NH+](C)C)CC1 ZINC000823759462 821534696 /nfs/dbraw/zinc/53/46/96/821534696.db2.gz JSFXUQIKHLAWFZ-UHFFFAOYSA-N 2 0 264.377 0.497 50 0 CCAARP CO[C@H]1C[N@@H+](C2CC(C)(C)[NH2+]C(C)(C)C2)C[C@@H]1O ZINC000824504756 821633194 /nfs/dbraw/zinc/63/31/94/821633194.db2.gz MIXLQZXYBRPESN-RYUDHWBXSA-N 2 0 256.390 0.987 50 0 CCAARP CCc1c(C)[nH+]c(N)nc1N1CC[NH+](CCCO)CC1 ZINC000095355632 349601430 /nfs/dbraw/zinc/60/14/30/349601430.db2.gz MKAVQOWUCACQAA-UHFFFAOYSA-N 2 0 279.388 0.434 50 0 CCAARP CC[N@@H+]1CC[C@H]([NH+](C)CCn2cncn2)[C@@H](C)C1 ZINC000229859189 352097371 /nfs/dbraw/zinc/09/73/71/352097371.db2.gz VINIXQAKHNTVQY-STQMWFEESA-N 2 0 251.378 0.940 50 0 CCAARP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000236905521 352226821 /nfs/dbraw/zinc/22/68/21/352226821.db2.gz RQANDDWVSGAEFW-XQQFMLRXSA-N 2 0 253.390 0.785 50 0 CCAARP CC[N@H+]1CCc2nnc([C@@H]3CC[NH+](CCCO)C3)n2CC1 ZINC000257177864 352548381 /nfs/dbraw/zinc/54/83/81/352548381.db2.gz YECKAZWTTFSHCA-CYBMUJFWSA-N 2 0 293.415 0.328 50 0 CCAARP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000262568983 283338386 /nfs/dbraw/zinc/33/83/86/283338386.db2.gz AXYTUHCTDNZWJR-STQMWFEESA-N 2 0 253.390 0.929 50 0 CCAARP C[C@@H]([NH3+])C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000237450140 389188863 /nfs/dbraw/zinc/18/88/63/389188863.db2.gz ZOUJTTOHTCIQMB-MGPQQGTHSA-N 2 0 282.432 0.351 50 0 CCAARP COC[C@H](O)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000245343872 389204888 /nfs/dbraw/zinc/20/48/88/389204888.db2.gz WFRGQZLJJAJBRL-MQYQWHSLSA-N 2 0 254.374 0.410 50 0 CCAARP C[C@@H]1CN(C(=O)[C@@H](C[NH3+])c2ccccc2)C[C@H](C)[NH2+]1 ZINC000179150000 296858562 /nfs/dbraw/zinc/85/85/62/296858562.db2.gz TVTYVJRLAZINPH-SCRDCRAPSA-N 2 0 261.369 0.938 50 0 CCAARP [NH3+]C1CCN(CC(=O)N2CC[NH+](C3CCCC3)CC2)CC1 ZINC000092714764 544536451 /nfs/dbraw/zinc/53/64/51/544536451.db2.gz XHNSFDHDOWMCAS-UHFFFAOYSA-N 2 0 294.443 0.496 50 0 CCAARP CC1(C)[NH2+]CC[C@@H]1NC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000335347294 281397033 /nfs/dbraw/zinc/39/70/33/281397033.db2.gz YEIQCQZGTWGOKD-MNOVXSKESA-N 2 0 251.374 0.633 50 0 CCAARP C[C@H](CN1CC[NH+](C)CC1)[NH2+]CCc1ncc[nH]1 ZINC000534670155 328346918 /nfs/dbraw/zinc/34/69/18/328346918.db2.gz AZGKQFHHNVFHQI-GFCCVEGCSA-N 2 0 251.378 0.178 50 0 CCAARP C[C@H](Cn1ccnc1)[NH2+]CC1(CN2CC[NH+](C)CC2)CC1 ZINC000534673738 328348876 /nfs/dbraw/zinc/34/88/76/328348876.db2.gz XTEKNWAPUDHJPI-OAHLLOKOSA-N 2 0 291.443 0.889 50 0 CCAARP CCCOC[C@H]1CC[N@H+](CC(=O)N2CC[NH2+]CC2)C1 ZINC000670450650 545235761 /nfs/dbraw/zinc/23/57/61/545235761.db2.gz SZEJJPYAOTUVLE-ZDUSSCGKSA-N 2 0 269.389 0.167 50 0 CCAARP Cc1nc([C@H]([NH3+])C2(O)C[C@H]3CC[C@@H](C2)[NH2+]3)cn1C ZINC000958527751 649810453 /nfs/dbraw/zinc/81/04/53/649810453.db2.gz GJFWUWUXTOKBLT-OMLSGTGCSA-N 2 0 250.346 0.374 50 0 CCAARP CC[C@@H](Cn1ccnc1)NC(=O)CCCN1CCOCC1 ZINC000822619968 821491045 /nfs/dbraw/zinc/49/10/45/821491045.db2.gz VKKNFIHYWGSMSH-AWEZNQCLSA-N 2 0 294.399 0.890 50 0 CCAARP CC[NH+]1CCC(C[NH2+][C@H]2CCOC2)(N(C)C)CC1 ZINC000823107392 821508041 /nfs/dbraw/zinc/50/80/41/821508041.db2.gz YUAKZRXSRRCLQZ-ZDUSSCGKSA-N 2 0 255.406 0.781 50 0 CCAARP O=C1CC[C@@H](C[NH+]2CCC3(CC2)C[NH2+]CCO3)O1 ZINC000828258762 821751442 /nfs/dbraw/zinc/75/14/42/821751442.db2.gz VPQITCRSDMPVPA-NSHDSACASA-N 2 0 254.330 0.146 50 0 CCAARP C[C@](O)(C[NH3+])CN1CC[NH+](CCc2ccccc2)CC1 ZINC000952876760 841581360 /nfs/dbraw/zinc/58/13/60/841581360.db2.gz DUWCUZWFTLWIEN-INIZCTEOSA-N 2 0 277.412 0.556 50 0 CCAARP Fc1ccc(N2CC[C@@H]([NH2+]CCN3CC[NH2+]CC3)C2)cc1 ZINC000426435362 230418571 /nfs/dbraw/zinc/41/85/71/230418571.db2.gz IEIIRHKFVBAXFV-OAHLLOKOSA-N 2 0 292.402 0.899 50 0 CCAARP CNS(=O)(=O)CC[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC000067954534 290756664 /nfs/dbraw/zinc/75/66/64/290756664.db2.gz KMTDOGVTHINZOM-UHFFFAOYSA-N 2 0 289.445 0.438 50 0 CCAARP CC(C)(C[N@@H+]1[C@@H]2CC[C@H]1C[NH2+]CC2)N1CCOCC1 ZINC000065451955 348716523 /nfs/dbraw/zinc/71/65/23/348716523.db2.gz FGJAJMWVUBXBEP-KGLIPLIRSA-N 2 0 267.417 0.924 50 0 CCAARP Cc1ncc(C[N@H+](C)CC2CC[NH+](CCO)CC2)[nH]1 ZINC000216525572 351942988 /nfs/dbraw/zinc/94/29/88/351942988.db2.gz DVWJIZODLRVBRQ-UHFFFAOYSA-N 2 0 266.389 0.854 50 0 CCAARP CCOCC[N@@H+]1CCN(c2cc(C)[nH+]c(N)n2)C[C@H]1C ZINC000252504753 352518152 /nfs/dbraw/zinc/51/81/52/352518152.db2.gz FULBYKAIDNSUSI-GFCCVEGCSA-N 2 0 279.388 0.914 50 0 CCAARP [NH3+]C[C@@H](NC(=O)[C@H]1C[NH2+]CCO1)c1ccc2ccccc2c1 ZINC000193405592 389069274 /nfs/dbraw/zinc/06/92/74/389069274.db2.gz NKQWGUIULYSPNU-HZPDHXFCSA-N 2 0 299.374 0.944 50 0 CCAARP CC[N@@H+]1CC[C@H](N(C)C(=O)C[NH2+]C[C@H]2CCCO2)[C@@H](C)C1 ZINC000299740158 389042985 /nfs/dbraw/zinc/04/29/85/389042985.db2.gz WIXHQCFPSGMOEN-ZNMIVQPWSA-N 2 0 297.443 0.944 50 0 CCAARP O=C([C@@H]1C[NH2+]CCO1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000333480088 280104082 /nfs/dbraw/zinc/10/40/82/280104082.db2.gz BIHNABZBCBFJHB-KBPBESRZSA-N 2 0 275.352 0.148 50 0 CCAARP C[C@H]1CN(C(=O)C2([NH3+])Cc3ccccc3C2)C[C@H](C)[NH2+]1 ZINC000153419686 300111148 /nfs/dbraw/zinc/11/11/48/300111148.db2.gz HQOHGGDBFIKNCI-RYUDHWBXSA-N 2 0 273.380 0.692 50 0 CCAARP C[NH+]1CCC(O)(CNC(=O)C[NH+]2CCCCCC2)CC1 ZINC000670440679 545235216 /nfs/dbraw/zinc/23/52/16/545235216.db2.gz BXGNLNDGUTZERX-UHFFFAOYSA-N 2 0 283.416 0.435 50 0 CCAARP C[NH+]1CCC(O)(CNC(=O)CC[NH+]2CCCCC2)CC1 ZINC000670446547 545235730 /nfs/dbraw/zinc/23/57/30/545235730.db2.gz CJHFHHABBOYKLH-UHFFFAOYSA-N 2 0 283.416 0.435 50 0 CCAARP CS(=O)(=O)Nc1ccc([C@H]2C[C@@H]([NH3+])CC[NH2+]2)cc1 ZINC000757208858 581698850 /nfs/dbraw/zinc/69/88/50/581698850.db2.gz DZTFKLTVCIFNKK-CMPLNLGQSA-N 2 0 269.370 0.810 50 0 CCAARP O=C(C[NH+]1CCCCCC1)N[C@H]1COC2(C1)CC[NH2+]CC2 ZINC000952970145 639080015 /nfs/dbraw/zinc/08/00/15/639080015.db2.gz SZAIYHUHPANMJQ-CQSZACIVSA-N 2 0 295.427 0.890 50 0 CCAARP [NH3+]C[C@H]1CC[N@H+](C[C@H](O)COc2ccccc2)C1 ZINC000864096847 645173004 /nfs/dbraw/zinc/17/30/04/645173004.db2.gz KCNMCRQKHFOQHF-OLZOCXBDSA-N 2 0 250.342 0.707 50 0 CCAARP [NH3+]C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccccc2)C1 ZINC000864096848 645173373 /nfs/dbraw/zinc/17/33/73/645173373.db2.gz KCNMCRQKHFOQHF-QWHCGFSZSA-N 2 0 250.342 0.707 50 0 CCAARP C[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CCC[C@@H](O)C3)C2)CC1 ZINC000823770293 821537485 /nfs/dbraw/zinc/53/74/85/821537485.db2.gz SBMWGLRBMWZKCA-CQSZACIVSA-N 2 0 295.427 0.387 50 0 CCAARP COCCC[N@@H+]1CC[C@@H](CNC(=O)CC2CC[NH2+]CC2)C1 ZINC000824390227 821627140 /nfs/dbraw/zinc/62/71/40/821627140.db2.gz XFUCWQYKDWRNLH-HNNXBMFYSA-N 2 0 297.443 0.851 50 0 CCAARP COC[C@H](C)[NH2+]CC1(CN2CC[NH+](C)CC2)CC1 ZINC000824344093 821627227 /nfs/dbraw/zinc/62/72/27/821627227.db2.gz GVBGAKRMSGPNAT-ZDUSSCGKSA-N 2 0 255.406 0.639 50 0 CCAARP O=C1CC[C@H]([NH+]2CCC(C[NH+]3CCOCC3)CC2)CCN1 ZINC000828305441 821757389 /nfs/dbraw/zinc/75/73/89/821757389.db2.gz ONIRAKIDEAOZBG-HNNXBMFYSA-N 2 0 295.427 0.699 50 0 CCAARP O=C(CC1CC[NH2+]CC1)N1C[C@H](O)[C@@H]([NH+]2CCCCC2)C1 ZINC000828896773 821847925 /nfs/dbraw/zinc/84/79/25/821847925.db2.gz NWSNMBWIGDZBEJ-GJZGRUSLSA-N 2 0 295.427 0.434 50 0 CCAARP CCc1[nH+]c(N)nc(NC[C@H](O)C[NH+](C)C)c1C ZINC000095362146 349603218 /nfs/dbraw/zinc/60/32/18/349603218.db2.gz GEXNOOUCYFWSGS-VIFPVBQESA-N 2 0 253.350 0.264 50 0 CCAARP CCN(CC1CCOCC1)C(=O)[C@@]12C[NH2+]C[C@@H]1C[N@H+](C)C2 ZINC000065385147 348712925 /nfs/dbraw/zinc/71/29/25/348712925.db2.gz GFVSQDWAEKLETF-GDBMZVCRSA-N 2 0 295.427 0.413 50 0 CCAARP O=C(C[N@H+](CCO)CC1CC1)NC1CC[NH+](C2CC2)CC1 ZINC000064515967 348701287 /nfs/dbraw/zinc/70/12/87/348701287.db2.gz CCWKTHGQDFWANW-UHFFFAOYSA-N 2 0 295.427 0.434 50 0 CCAARP COCC[N@@H+]1CC[C@H](CN(C)C2CC[NH2+]CC2)C1 ZINC000067649521 348780814 /nfs/dbraw/zinc/78/08/14/348780814.db2.gz NJKPXUSHGYKGRQ-CYBMUJFWSA-N 2 0 255.406 0.639 50 0 CCAARP CN1CC[N@H+](C)C[C@H]1CNC(=O)Nc1ccc(C[NH3+])cc1 ZINC000068809096 348823856 /nfs/dbraw/zinc/82/38/56/348823856.db2.gz HQDZOJHAGNAEHU-CQSZACIVSA-N 2 0 291.399 0.513 50 0 CCAARP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1ccncc1 ZINC000069970332 348868236 /nfs/dbraw/zinc/86/82/36/348868236.db2.gz ITHWJIMHSRKHFX-UHFFFAOYSA-N 2 0 293.415 0.716 50 0 CCAARP O=C1CCCN1CCC[NH2+]CC1CC[NH+](CCO)CC1 ZINC000075602809 349040905 /nfs/dbraw/zinc/04/09/05/349040905.db2.gz YPMJDYUSJZMSQD-UHFFFAOYSA-N 2 0 283.416 0.293 50 0 CCAARP C[NH+](C)CC(=O)NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000135178637 350387404 /nfs/dbraw/zinc/38/74/04/350387404.db2.gz TUHDGOSCFDGFTE-HNNXBMFYSA-N 2 0 291.395 0.083 50 0 CCAARP Cn1cncc1C[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000215646039 351937096 /nfs/dbraw/zinc/93/70/96/351937096.db2.gz RYINFUNNCYNKMY-UHFFFAOYSA-N 2 0 291.443 0.880 50 0 CCAARP CC[C@H]([NH3+])C(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000236907078 352226641 /nfs/dbraw/zinc/22/66/41/352226641.db2.gz UFVOFQIGEOBOJB-ZNMIVQPWSA-N 2 0 291.395 0.475 50 0 CCAARP C[N@H+](CCNC(=O)[C@@H]1C[C@H](O)C[NH2+]1)Cc1ccc(F)cc1 ZINC000378213210 357661490 /nfs/dbraw/zinc/66/14/90/357661490.db2.gz YMVRSBYKSBQAMG-KBPBESRZSA-N 2 0 295.358 0.097 50 0 CCAARP c1nc2c(c(N3CCC[N@@H+]4CCC[C@H]4C3)n1)CC[NH2+]CC2 ZINC000072476544 388966020 /nfs/dbraw/zinc/96/60/20/388966020.db2.gz SGXPUUSSVDQVHJ-ZDUSSCGKSA-N 2 0 287.411 0.839 50 0 CCAARP C[C@@H]([NH3+])C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000237450071 389189387 /nfs/dbraw/zinc/18/93/87/389189387.db2.gz ZOUJTTOHTCIQMB-MELADBBJSA-N 2 0 282.432 0.351 50 0 CCAARP COC[C@H](O)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000245343873 389204818 /nfs/dbraw/zinc/20/48/18/389204818.db2.gz WFRGQZLJJAJBRL-SYQHCUMBSA-N 2 0 254.374 0.410 50 0 CCAARP CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]([NH3+])C(C)C)C2)CC1 ZINC000170070459 389455050 /nfs/dbraw/zinc/45/50/50/389455050.db2.gz GNEHEJZDVCWJKK-KBPBESRZSA-N 2 0 282.432 0.208 50 0 CCAARP O=C(NCC[NH2+]C[C@@]1(O)CC[NH2+]C1)c1ccccc1Cl ZINC000077454415 177270426 /nfs/dbraw/zinc/27/04/26/177270426.db2.gz BHQLQEKIVUCZIQ-CQSZACIVSA-N 2 0 297.786 0.384 50 0 CCAARP COCC[NH+]1CCC([C@H]2[NH2+]CCc3nc[nH]c32)CC1 ZINC000065507839 277219929 /nfs/dbraw/zinc/21/99/29/277219929.db2.gz RHOQKOMSOQQCPH-CYBMUJFWSA-N 2 0 264.373 0.955 50 0 CCAARP C[NH+](C)CC1(O)CCN(C(=O)[C@H]2CCCCC[N@@H+]2C)CC1 ZINC000670458528 545236531 /nfs/dbraw/zinc/23/65/31/545236531.db2.gz AFNKFQRZLIHHGL-CQSZACIVSA-N 2 0 297.443 0.776 50 0 CCAARP CCOC(=O)N1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@H]2C[NH2+]C[C@H]23)C1 ZINC000426436535 812805317 /nfs/dbraw/zinc/80/53/17/812805317.db2.gz IPVVUDUTRCQQNM-PDWCTOEPSA-N 2 0 279.384 0.899 50 0 CCAARP CC(C)(C(=O)NC[C@@]1(O)CCC[NH2+]C1)[NH+]1CCCC1 ZINC000827635494 821686180 /nfs/dbraw/zinc/68/61/80/821686180.db2.gz GVPVGNDXZLUVBH-CQSZACIVSA-N 2 0 269.389 0.092 50 0 CCAARP C[NH2+]C[C@@H](O)CN1CC[NH+](CCc2ccccc2)CC1 ZINC000952877384 841581309 /nfs/dbraw/zinc/58/13/09/841581309.db2.gz PKIJGRCEFCQXAJ-MRXNPFEDSA-N 2 0 277.412 0.427 50 0 CCAARP COCC[NH+]1CCN(C[C@@H](O)C[NH+]2CCC(C)CC2)CC1 ZINC000069627586 348855143 /nfs/dbraw/zinc/85/51/43/348855143.db2.gz CMOJEGPJZQGRNT-INIZCTEOSA-N 2 0 299.459 0.343 50 0 CCAARP C[N@@H+]1CC[C@@H](C(=O)N2CC[NH+](C[C@H](O)C(C)(C)C)CC2)C1 ZINC000075603849 349040987 /nfs/dbraw/zinc/04/09/87/349040987.db2.gz ZEABNPCPMFQIIB-KGLIPLIRSA-N 2 0 297.443 0.489 50 0 CCAARP C[NH+]1CCC2(CC1)NC(=O)N(C[NH+]1CCCCCC1)C2=O ZINC000014248611 282725755 /nfs/dbraw/zinc/72/57/55/282725755.db2.gz QVNCHUYDQBNJKR-UHFFFAOYSA-N 2 0 294.399 0.836 50 0 CCAARP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CC[NH2+]C[C@@H]2C)C1 ZINC000126099599 389169175 /nfs/dbraw/zinc/16/91/75/389169175.db2.gz LWJYCCPGEYSKOM-QWHCGFSZSA-N 2 0 253.390 0.785 50 0 CCAARP C[C@@H](CNS(=O)(=O)C1CC1)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000426535289 389671604 /nfs/dbraw/zinc/67/16/04/389671604.db2.gz XBYNWSKXAYCDMY-NSHDSACASA-N 2 0 297.424 0.705 50 0 CCAARP CC(C)(C)[NH2+]C[C@@]1(O)C2CN3CC1(C)C[N@H+](C2)CC3 ZINC000022108157 278370309 /nfs/dbraw/zinc/37/03/09/278370309.db2.gz XMRMRZZKYWCFFY-PESDSKBTSA-N 2 0 267.417 0.373 50 0 CCAARP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCn2cncn2)CC1 ZINC000069922700 278395354 /nfs/dbraw/zinc/39/53/54/278395354.db2.gz QHGRRYAOCCVDGL-CYBMUJFWSA-N 2 0 281.404 0.303 50 0 CCAARP CCn1cnc([C@H]([NH3+])C2(O)C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000958528610 615626916 /nfs/dbraw/zinc/62/69/16/615626916.db2.gz WIGRFYUHMKMQFG-OMLSGTGCSA-N 2 0 250.346 0.548 50 0 CCAARP O=C(C[NH+]1CCCCCC1)N[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC000952970135 649613034 /nfs/dbraw/zinc/61/30/34/649613034.db2.gz SZAIYHUHPANMJQ-AWEZNQCLSA-N 2 0 295.427 0.890 50 0 CCAARP CCc1nc(CC[NH2+][C@@H](C)CN2CC[NH+](C)CC2)no1 ZINC000823576191 821521858 /nfs/dbraw/zinc/52/18/58/821521858.db2.gz TVAFAHFRFVAEFL-LBPRGKRZSA-N 2 0 281.404 0.400 50 0 CCAARP C[C@@](O)(C[NH3+])CN1CC[NH+](CCc2ccccc2)CC1 ZINC000952876762 841580896 /nfs/dbraw/zinc/58/08/96/841580896.db2.gz DUWCUZWFTLWIEN-MRXNPFEDSA-N 2 0 277.412 0.556 50 0 CCAARP Nc1nc2c(c(NCc3ccc(C[NH3+])cc3)n1)CC[NH2+]CC2 ZINC000072425257 854038368 /nfs/dbraw/zinc/03/83/68/854038368.db2.gz GXWCHOAWRDRAPV-UHFFFAOYSA-N 2 0 298.394 0.818 50 0 CCAARP Cc1cc(C)[n+](CCOCC[n+]2c(C)cc(C)n2C)n1C ZINC000003144313 347978293 /nfs/dbraw/zinc/97/82/93/347978293.db2.gz AFVJWYIBIYOQEW-UHFFFAOYSA-N 2 0 292.427 0.889 50 0 CCAARP C[C@@H](O)C[NH+]1CCC(C[NH2+]CCC(=O)N(C)C)CC1 ZINC000069655199 348856384 /nfs/dbraw/zinc/85/63/84/348856384.db2.gz XRTDAPZBPNANMX-GFCCVEGCSA-N 2 0 271.405 0.147 50 0 CCAARP C[C@@H](C(=O)NC[C@](C)(O)C[NH+](C)C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000089922756 349413134 /nfs/dbraw/zinc/41/31/34/349413134.db2.gz HQQGTCRYFWFNNO-XFMPKHEZSA-N 2 0 285.432 0.677 50 0 CCAARP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccnc(N)c3)C2)CC1 ZINC000191488250 351761350 /nfs/dbraw/zinc/76/13/50/351761350.db2.gz PFGXLWRQXPQNTG-HNNXBMFYSA-N 2 0 289.427 0.876 50 0 CCAARP C[NH+](C)[C@H](CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)c1cccs1 ZINC000226821929 352034784 /nfs/dbraw/zinc/03/47/84/352034784.db2.gz IRAOEEMJUAFJBR-GMTAPVOTSA-N 2 0 283.397 0.190 50 0 CCAARP O=C([C@H]1C[C@H](O)C[NH2+]1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000238095726 296147976 /nfs/dbraw/zinc/14/79/76/296147976.db2.gz CLUQTVNEQGJUMM-UONOGXRCSA-N 2 0 281.400 0.186 50 0 CCAARP [NH3+]C[C@H]1CCCN(C(=O)C2([NH3+])Cc3ccccc3C2)C1 ZINC000097019518 389066174 /nfs/dbraw/zinc/06/61/74/389066174.db2.gz WIJDYGCNLMICOK-GFCCVEGCSA-N 2 0 273.380 0.680 50 0 CCAARP [NH3+][C@H](C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2)C1CCC1 ZINC000333319217 389409328 /nfs/dbraw/zinc/40/93/28/389409328.db2.gz UCROUKWASJUURR-RISCZKNCSA-N 2 0 274.368 0.964 50 0 CCAARP CC[N@@H+]1C[C@H](Nc2cc(OC)nc(N)n2)[C@@H](OC)C1 ZINC000534653817 411828128 /nfs/dbraw/zinc/82/81/28/411828128.db2.gz JWNAAOKTXMSEHM-IUCAKERBSA-N 2 0 267.333 0.198 50 0 CCAARP [NH3+]CCc1cccc(C[N@@H+]2CCOC[C@H](CO)C2)c1 ZINC000077298778 177250361 /nfs/dbraw/zinc/25/03/61/177250361.db2.gz MQWFTFVXKUYOCM-HNNXBMFYSA-N 2 0 264.369 0.629 50 0 CCAARP O[C@@]1(CN2CCC[N@H+](Cc3ccncc3)CC2)CC[NH2+]C1 ZINC000077427937 177265685 /nfs/dbraw/zinc/26/56/85/177265685.db2.gz WGFJGYBKAGJRDU-INIZCTEOSA-N 2 0 290.411 0.314 50 0 CCAARP Cc1cc(N2CCCN(C(=O)[C@H]3C=CC[NH2+]3)CC2)cc[nH+]1 ZINC000534654398 328338884 /nfs/dbraw/zinc/33/88/84/328338884.db2.gz KBJDGXKQSFPECC-OAHLLOKOSA-N 2 0 286.379 0.957 50 0 CCAARP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@H]2CC[C@@H](C1)[C@H]2[NH3+] ZINC000534676221 328351845 /nfs/dbraw/zinc/35/18/45/328351845.db2.gz TWYODHPAQWYGHW-IGQOVBAYSA-N 2 0 281.400 0.150 50 0 CCAARP CC1CC[NH+](CC(=O)N2CCOC[C@@H](C[NH+](C)C)C2)CC1 ZINC000670464073 545236681 /nfs/dbraw/zinc/23/66/81/545236681.db2.gz MVUWETRYQSIZDD-HNNXBMFYSA-N 2 0 297.443 0.755 50 0 CCAARP C[NH+](C)CC1(O)CCN(C(=O)C2([NH3+])CCCC2)CC1 ZINC000710664044 819859474 /nfs/dbraw/zinc/85/94/74/819859474.db2.gz JOPZNWQMIQTFBG-UHFFFAOYSA-N 2 0 269.389 0.173 50 0 CCAARP C[NH+](C)C1(CNC(=O)[C@@H]2C=CC[NH2+]2)CCCCC1 ZINC000827690925 821688077 /nfs/dbraw/zinc/68/80/77/821688077.db2.gz NQBFCRJHMAMYKW-LBPRGKRZSA-N 2 0 251.374 0.895 50 0 CCAARP O=C1CC[C@@H]([NH+]2CCC(O)(C[NH+]3CCCC3)CC2)CCN1 ZINC000828305339 821756749 /nfs/dbraw/zinc/75/67/49/821756749.db2.gz IXBJPUKVQCKRRT-CQSZACIVSA-N 2 0 295.427 0.578 50 0 CCAARP NC(=[NH2+])NC(=[NH2+])N1CCN(Cc2ccccc2)CC1 ZINC000034079599 348149004 /nfs/dbraw/zinc/14/90/04/348149004.db2.gz MJUZTDLJSVTNAV-UHFFFAOYSA-N 2 0 260.345 0.222 50 0 CCAARP O=C([C@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1)N1CCOCC1 ZINC000082091717 349291318 /nfs/dbraw/zinc/29/13/18/349291318.db2.gz FEHWPSFTLALCEZ-ZDUSSCGKSA-N 2 0 281.400 0.309 50 0 CCAARP CCC[NH+]1CCC(N2C[C@@H]([NH3+])C[C@H]2C(=O)NC(C)C)CC1 ZINC000299777460 283318839 /nfs/dbraw/zinc/31/88/39/283318839.db2.gz MXKGUCLCRIZLMG-ZFWWWQNUSA-N 2 0 296.459 0.787 50 0 CCAARP CC[NH+](CC)CCN1C(=O)CC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000159999736 284622779 /nfs/dbraw/zinc/62/27/79/284622779.db2.gz CXZSXOZTXUSJLB-OLZOCXBDSA-N 2 0 253.390 0.929 50 0 CCAARP Nc1nc(CCC[NH2+]C[C@@]2(O)CCC[NH2+]C2)cs1 ZINC000072430681 388963914 /nfs/dbraw/zinc/96/39/14/388963914.db2.gz BLPAAJRQTOZWTL-LBPRGKRZSA-N 2 0 270.402 0.362 50 0 CCAARP O[C@@]1(C[NH2+]CCCn2nccc2C2CC2)CCC[NH2+]C1 ZINC000072456569 388964960 /nfs/dbraw/zinc/96/49/60/388964960.db2.gz MFAYZGDSWLVJEU-HNNXBMFYSA-N 2 0 278.400 0.855 50 0 CCAARP C[N@@H+]1CCC2(C1)CCN(C(=O)CCN1CC[NH2+]CC1)CC2 ZINC000065498405 388943123 /nfs/dbraw/zinc/94/31/23/388943123.db2.gz OSCPODZVABMFQX-UHFFFAOYSA-N 2 0 294.443 0.226 50 0 CCAARP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H]2C[NH3+])C1 ZINC000299739117 389042878 /nfs/dbraw/zinc/04/28/78/389042878.db2.gz KSIDLGKATNSHHP-OLZOCXBDSA-N 2 0 253.390 0.914 50 0 CCAARP CC[N@@H+]1CC[C@H](N(C)C(=O)C[NH2+]C[C@@H]2CCCO2)[C@@H](C)C1 ZINC000236905272 389176750 /nfs/dbraw/zinc/17/67/50/389176750.db2.gz WIXHQCFPSGMOEN-KKUMJFAQSA-N 2 0 297.443 0.944 50 0 CCAARP CSCC[C@H]([NH3+])C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000063122302 175681722 /nfs/dbraw/zinc/68/17/22/175681722.db2.gz KCTBIUJZTDGPME-LBPRGKRZSA-N 2 0 273.446 0.867 50 0 CCAARP C[C@@]1(CC2=[NH+]CCN2)OC[C@@H](C[NH+]2CCCCC2)O1 ZINC000012321011 289158667 /nfs/dbraw/zinc/15/86/67/289158667.db2.gz GGDSWLXRWLVKQE-TZMCWYRMSA-N 2 0 267.373 0.996 50 0 CCAARP O=C(NC1(C[NH+]2CCCC2)CCCCC1)[C@H]1C[NH2+]CCO1 ZINC000534664637 328344765 /nfs/dbraw/zinc/34/47/65/328344765.db2.gz SYIRENBZRBUUPQ-CQSZACIVSA-N 2 0 295.427 0.890 50 0 CCAARP CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[C@H]2[NH3+] ZINC000952990154 615143538 /nfs/dbraw/zinc/14/35/38/615143538.db2.gz GTUYQROTNKLNSH-QNWHQSFQSA-N 2 0 251.374 0.666 50 0 CCAARP CN(C)C[C@]1(CO)CCC[N@H+](C[C@H]2[C@@H]3C[NH2+]C[C@H]23)C1 ZINC000952970517 615951732 /nfs/dbraw/zinc/95/17/32/615951732.db2.gz DVISDXUNADJHOF-CBBWQLFWSA-N 3 0 267.417 0.088 50 0 CCAARP O=C([C@H]1[NH2+]CC12CCCC2)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000888101879 631295332 /nfs/dbraw/zinc/29/53/32/631295332.db2.gz QHCYVFGKOUTWCR-TZMCWYRMSA-N 2 0 263.385 0.731 50 0 CCAARP C[C@@H](CS(C)(=O)=O)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000426388098 812766260 /nfs/dbraw/zinc/76/62/60/812766260.db2.gz ALYINELCFRBTHS-NSHDSACASA-N 2 0 260.403 0.495 50 0 CCAARP CN1CCC[N@H+](CCN2CCOCC2)CC12CC[NH2+]CC2 ZINC000823778359 821537663 /nfs/dbraw/zinc/53/76/63/821537663.db2.gz LABZBNKJHOMLJE-UHFFFAOYSA-N 2 0 296.459 0.078 50 0 CCAARP CC[C@H]([NH3+])C(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000236912358 352227839 /nfs/dbraw/zinc/22/78/39/352227839.db2.gz UFVOFQIGEOBOJB-KFWWJZLASA-N 2 0 291.395 0.475 50 0 CCAARP Cc1ncc2c(c1CNC(=O)C[NH+]1CCCC1)CC[NH2+]C2 ZINC000299790460 354052722 /nfs/dbraw/zinc/05/27/22/354052722.db2.gz BHPIKLKFQWKFRL-UHFFFAOYSA-N 2 0 288.395 0.748 50 0 CCAARP CCC[NH+]1CCC(N2C[C@H]([NH3+])C[C@H]2C(=O)NC)CC1 ZINC000299766969 283319164 /nfs/dbraw/zinc/31/91/64/283319164.db2.gz FTTAXYGLIIDHPA-YPMHNXCESA-N 2 0 268.405 0.008 50 0 CCAARP C[N@@H+]1CCC[C@@]2(CCC[NH+](CCCn3cnnn3)C2)C1 ZINC000019147940 388791821 /nfs/dbraw/zinc/79/18/21/388791821.db2.gz CMEUUNOBZSHVJY-CQSZACIVSA-N 2 0 278.404 0.871 50 0 CCAARP CC[N@H+](C)[C@@H](C)CCNc1nc(N)nc2c1CC[NH2+]CC2 ZINC000072418365 388962606 /nfs/dbraw/zinc/96/26/06/388962606.db2.gz FEGCVDBJCZCMSV-NSHDSACASA-N 2 0 292.431 0.889 50 0 CCAARP CC[C@H]1CN(c2cc(C)[nH+]c(N)n2)CC[N@@H+]1CCOC ZINC000075128547 388983254 /nfs/dbraw/zinc/98/32/54/388983254.db2.gz ILRHDHUBVDBXKN-LBPRGKRZSA-N 2 0 279.388 0.914 50 0 CCAARP C[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)[C@H]1C[NH3+] ZINC000156956179 389328832 /nfs/dbraw/zinc/32/88/32/389328832.db2.gz LSNLAMFYNNCNIW-AAEUAGOBSA-N 2 0 253.390 0.914 50 0 CCAARP O=C(NC1CC[NH+](Cc2cccnc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000182171979 389702632 /nfs/dbraw/zinc/70/26/32/389702632.db2.gz RPAJSBXPQWENCN-HNNXBMFYSA-N 2 0 288.395 0.914 50 0 CCAARP C[C@@H](O)C[NH+]1CCC(C[NH2+][C@@H](C)C(=O)N2CCCC2)CC1 ZINC000069493240 175834920 /nfs/dbraw/zinc/83/49/20/175834920.db2.gz VXDPGNZVARDZGQ-KGLIPLIRSA-N 2 0 297.443 0.680 50 0 CCAARP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)N2CCCC2)CC1 ZINC000069773470 278395187 /nfs/dbraw/zinc/39/51/87/278395187.db2.gz YHVGEJRRUDGZFZ-CQSZACIVSA-N 2 0 297.443 0.633 50 0 CCAARP [NH3+][C@@H](C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2)C1CCC1 ZINC000333319214 295293205 /nfs/dbraw/zinc/29/32/05/295293205.db2.gz UCROUKWASJUURR-BXUZGUMPSA-N 2 0 274.368 0.964 50 0 CCAARP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000227282124 303460137 /nfs/dbraw/zinc/46/01/37/303460137.db2.gz MRYGAGWFFATSJE-RWMBFGLXSA-N 2 0 251.374 0.811 50 0 CCAARP O=C([C@@H]1C=CC[NH2+]1)N1CCC([NH+]2CCSCC2)CC1 ZINC000534675547 328356016 /nfs/dbraw/zinc/35/60/16/328356016.db2.gz GXPCIJQQKZREFS-ZDUSSCGKSA-N 2 0 281.425 0.554 50 0 CCAARP CC[C@H](O)C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000071909514 327106263 /nfs/dbraw/zinc/10/62/63/327106263.db2.gz JQHOFQDMKZKVLL-GJZGRUSLSA-N 2 0 269.433 0.859 50 0 CCAARP [NH3+][C@@H]1CC[NH2+]C[C@@H]1[C@@H]1CC[C@H](C(F)(F)F)NC1 ZINC000757213082 581699268 /nfs/dbraw/zinc/69/92/68/581699268.db2.gz NTUKAYAABLRJOS-ZYUZMQFOSA-N 2 0 251.296 0.854 50 0 CCAARP N[C@@H](C[NH+]1CCCCC1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000888096413 631289416 /nfs/dbraw/zinc/28/94/16/631289416.db2.gz FVHVOWUDEIYMJH-ZFWWWQNUSA-N 2 0 280.416 0.012 50 0 CCAARP [NH3+]C[C@]12CCC[C@H]1C[N@H+](C[C@H](O)Cn1cccn1)C2 ZINC000864097260 645173501 /nfs/dbraw/zinc/17/35/01/645173501.db2.gz RARPDOMZTCAULJ-IHRRRGAJSA-N 2 0 264.373 0.305 50 0 CCAARP CC[NH+]1CCN(CC(=O)NC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000823112843 821507615 /nfs/dbraw/zinc/50/76/15/821507615.db2.gz IYNYTOLFWYUTFC-AWEZNQCLSA-N 2 0 282.432 0.224 50 0 CCAARP C[NH+]1CCC(OCCCNC(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000823764966 821534427 /nfs/dbraw/zinc/53/44/27/821534427.db2.gz PWSYPKSJIYYIQX-QWHCGFSZSA-N 2 0 283.416 0.731 50 0 CCAARP C[N@@H+]1CC[C@@](C)(C(=O)NCC2CC[NH+](C)CC2)C1 ZINC000823759311 821534608 /nfs/dbraw/zinc/53/46/08/821534608.db2.gz BGTVSGQPXHSZNR-CQSZACIVSA-N 2 0 253.390 0.786 50 0 CCAARP CC(C)n1cnnc1CC[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000823789485 821541341 /nfs/dbraw/zinc/54/13/41/821541341.db2.gz WKCJNPUQUZRBGO-AWEZNQCLSA-N 2 0 294.447 0.627 50 0 CCAARP OC1(C[NH+]2CCCC2)CC[NH+]([C@H]2CCOC2)CC1 ZINC000828605399 821788827 /nfs/dbraw/zinc/78/88/27/821788827.db2.gz WTMRKQLXUXWMGL-ZDUSSCGKSA-N 2 0 254.374 0.698 50 0 CCAARP C[NH+](C)CCOc1cccc(OCC[NH+](C)C)n1 ZINC000000393624 347945956 /nfs/dbraw/zinc/94/59/56/347945956.db2.gz RGIHODWAEHCRBV-UHFFFAOYSA-N 2 0 253.346 0.962 50 0 CCAARP CC12CN3CC(C[N@H+](C1)CC3)[C@@]2(O)C[NH+]1CCCCC1 ZINC000019774017 348069323 /nfs/dbraw/zinc/06/93/23/348069323.db2.gz FPSGWWDBEHGUOF-GPANFISMSA-N 2 0 279.428 0.471 50 0 CCAARP C[NH2+][C@@H]1CCCN(C(=O)C2([NH3+])Cc3ccccc3C2)C1 ZINC000133154080 350326525 /nfs/dbraw/zinc/32/65/25/350326525.db2.gz VRKSMMWKGJVAPF-CQSZACIVSA-N 2 0 273.380 0.693 50 0 CCAARP Cn1c(CN2CCC[N@H+](C)CC2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000244811648 352314173 /nfs/dbraw/zinc/31/41/73/352314173.db2.gz SILTYRHOUVYVLV-HAQNSBGRSA-N 2 0 278.404 0.157 50 0 CCAARP C[NH+](C)C[C@](C)(O)CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000253393935 352532399 /nfs/dbraw/zinc/53/23/99/352532399.db2.gz NYPLLELCFRUTBY-MELADBBJSA-N 2 0 255.406 0.515 50 0 CCAARP O=C(C[C@H]1COCC[NH2+]1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000333616841 283872359 /nfs/dbraw/zinc/87/23/59/283872359.db2.gz RENIAIGZPDUPOD-GJZGRUSLSA-N 2 0 289.379 0.538 50 0 CCAARP O=C([C@H]1CCC[NH2+]1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000216095424 296107396 /nfs/dbraw/zinc/10/73/96/296107396.db2.gz LIUWGNICQXAKMY-CYBMUJFWSA-N 2 0 260.341 0.482 50 0 CCAARP c1ccc(CN2CC[NH2+]CCNCC[NH2+]CC2)cc1 ZINC000022872619 388798756 /nfs/dbraw/zinc/79/87/56/388798756.db2.gz FURLCQRFFWBENR-UHFFFAOYSA-N 2 0 262.401 0.271 50 0 CCAARP O[C@]1(C[NH2+]CCCn2cc(Cl)cn2)CCC[NH2+]C1 ZINC000072463257 388964592 /nfs/dbraw/zinc/96/45/92/388964592.db2.gz SXLLKRVNGQBYDQ-GFCCVEGCSA-N 2 0 272.780 0.631 50 0 CCAARP CC[N@@H+]1CC[C@H](N(C)C(=O)C[NH2+]C[C@@H]2CCCO2)[C@H](C)C1 ZINC000299740156 389042426 /nfs/dbraw/zinc/04/24/26/389042426.db2.gz WIXHQCFPSGMOEN-ILXRZTDVSA-N 2 0 297.443 0.944 50 0 CCAARP C[C@@H](CCC(=O)NCCN1CC[NH2+]CC1)[NH+]1CCCC1 ZINC000534587298 328316087 /nfs/dbraw/zinc/31/60/87/328316087.db2.gz MSCZPISHRUNWTN-AWEZNQCLSA-N 2 0 282.432 0.272 50 0 CCAARP O=C(C[NH+]1CCCCCCC1)NC[C@@]1(O)CCC[NH2+]C1 ZINC000534648696 328343697 /nfs/dbraw/zinc/34/36/97/328343697.db2.gz QDIJFENZAMFDPM-OAHLLOKOSA-N 2 0 283.416 0.483 50 0 CCAARP CS(=O)(=O)Nc1ccc([C@@H]2C[NH2+]CC[C@H]2[NH3+])cc1 ZINC000757207388 581698816 /nfs/dbraw/zinc/69/88/16/581698816.db2.gz ATIRCNZRYHPLEQ-NWDGAFQWSA-N 2 0 269.370 0.462 50 0 CCAARP CN(C)C[C@@]1(CO)CCC[N@H+](C[C@H]2[C@@H]3C[NH2+]C[C@H]23)C1 ZINC000952970526 615936294 /nfs/dbraw/zinc/93/62/94/615936294.db2.gz DVISDXUNADJHOF-YJNKXOJESA-N 2 0 267.417 0.088 50 0 CCAARP Cc1nc([C@@H]([NH3+])C2(O)C[C@H]3CC[C@@H](C2)[NH2+]3)cn1C ZINC000958527750 649810352 /nfs/dbraw/zinc/81/03/52/649810352.db2.gz GJFWUWUXTOKBLT-IRZOWQPXSA-N 2 0 250.346 0.374 50 0 CCAARP C[N@@H+]1CCCC[C@H]1CC(=O)NCCc1ncc[nH]1 ZINC000426705663 812984721 /nfs/dbraw/zinc/98/47/21/812984721.db2.gz JDYCKWUSIROOCX-NSHDSACASA-N 2 0 250.346 0.943 50 0 CCAARP COCC[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC000824412484 821631121 /nfs/dbraw/zinc/63/11/21/821631121.db2.gz XMPSFAVSIXCEPX-CYBMUJFWSA-N 2 0 269.389 0.167 50 0 CCAARP CC[NH+]1CCC(C[NH2+][C@@H](C)CCO)(N(C)C)CC1 ZINC000828741531 821822076 /nfs/dbraw/zinc/82/20/76/821822076.db2.gz KTFFBYFSCXMIGO-ZDUSSCGKSA-N 2 0 257.422 0.763 50 0 CCAARP [NH3+]Cc1ccc2c(c1)CCCN2C(=O)C[C@H]1COCC[NH2+]1 ZINC000262282589 137034460 /nfs/dbraw/zinc/03/44/60/137034460.db2.gz XJTPAWRUWROGSM-AWEZNQCLSA-N 2 0 289.379 0.803 50 0 CCAARP C[C@H](C(=O)N1CCCC1)[N@H+](C)CC1CC[NH+](CCO)CC1 ZINC000069950120 348867249 /nfs/dbraw/zinc/86/72/49/348867249.db2.gz DLCZXXFRLNTERZ-CQSZACIVSA-N 2 0 297.443 0.633 50 0 CCAARP C[C@H]([C@H](C)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)n1cccn1 ZINC000070018089 348870168 /nfs/dbraw/zinc/87/01/68/348870168.db2.gz NQVSQZYDAMLVTG-ZNMIVQPWSA-N 2 0 295.431 0.031 50 0 CCAARP Cc1ccccc1C[NH+]1C[C@H](CO)[C@H](C[N@H+](C)CCO)C1 ZINC000091410142 180148118 /nfs/dbraw/zinc/14/81/18/180148118.db2.gz HMKHMSLJWLEDOP-IAGOWNOFSA-N 2 0 292.423 0.959 50 0 CCAARP CCn1c(CN2CCC(CO)CC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244795370 352313115 /nfs/dbraw/zinc/31/31/15/352313115.db2.gz REYVIEFAMNLNKN-BETUJISGSA-N 2 0 293.415 0.707 50 0 CCAARP O=C(C[C@H]1COCC[NH2+]1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000333616843 354763605 /nfs/dbraw/zinc/76/36/05/354763605.db2.gz RENIAIGZPDUPOD-LSDHHAIUSA-N 2 0 289.379 0.538 50 0 CCAARP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000355905400 356667895 /nfs/dbraw/zinc/66/78/95/356667895.db2.gz LMWZUQKMVOONHI-AWEZNQCLSA-N 2 0 281.400 0.404 50 0 CCAARP COCC[N@@H+]1CC[C@H](CN(C)C(=O)C[NH+]2CCCC2)C1 ZINC000584899999 359240675 /nfs/dbraw/zinc/24/06/75/359240675.db2.gz ZOHQNHQJDYPSJK-CQSZACIVSA-N 2 0 283.416 0.509 50 0 CCAARP C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000178408806 189113617 /nfs/dbraw/zinc/11/36/17/189113617.db2.gz UMHXWZMTSYYSBF-DOMZBBRYSA-N 2 0 273.380 0.769 50 0 CCAARP C[C@]1(CC2=[NH+]CCN2)OC[C@@H](C[NH+]2CCCCC2)O1 ZINC000012321012 291377591 /nfs/dbraw/zinc/37/75/91/291377591.db2.gz GGDSWLXRWLVKQE-OCCSQVGLSA-N 2 0 267.373 0.996 50 0 CCAARP C[NH+](C)CCCN1CCN(CCC[NH+](C)C)CC1 ZINC000022938106 388798408 /nfs/dbraw/zinc/79/84/08/388798408.db2.gz XHBDHILYUGSURT-UHFFFAOYSA-N 2 0 256.438 0.507 50 0 CCAARP CN1CCC[N@H+](Cc2cnc(N)s2)CC12CC[NH2+]CC2 ZINC000426402029 411818281 /nfs/dbraw/zinc/81/82/81/411818281.db2.gz RHDDJPIIMCHBDS-UHFFFAOYSA-N 2 0 295.456 0.985 50 0 CCAARP C[NH+](C)CC1CC[NH+](CC(=O)NC[C@@H]2CCCO2)CC1 ZINC000040543219 174323624 /nfs/dbraw/zinc/32/36/24/174323624.db2.gz VQXNWDROXGNTJO-AWEZNQCLSA-N 2 0 283.416 0.555 50 0 CCAARP [NH3+]C1CC(c2cc(NC3CC[NH+](CCO)CC3)ncn2)C1 ZINC000222667522 544823072 /nfs/dbraw/zinc/82/30/72/544823072.db2.gz OBBAVJWREPUVDM-UHFFFAOYSA-N 2 0 291.399 0.550 50 0 CCAARP [NH3+][C@@H]1CC[NH2+]C[C@@H]1[C@@H]1CC[C@@H](C(F)(F)F)NC1 ZINC000757213078 581698998 /nfs/dbraw/zinc/69/89/98/581698998.db2.gz NTUKAYAABLRJOS-KYXWUPHJSA-N 2 0 251.296 0.854 50 0 CCAARP CC[NH+]1CCN(CC(=O)NC[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000952975439 615155307 /nfs/dbraw/zinc/15/53/07/615155307.db2.gz ZINCFIIXIXILDY-HNNXBMFYSA-N 2 0 296.459 0.613 50 0 CCAARP C[NH+]1CCC(NC(=O)CN2CC[N@@H+]3CCCC[C@@H]3C2)CC1 ZINC000878253165 616173121 /nfs/dbraw/zinc/17/31/21/616173121.db2.gz ISZVJAFLLOIGCV-OAHLLOKOSA-N 2 0 294.443 0.367 50 0 CCAARP Cn1c(CO)nnc1C1CC[NH+](C[C@H]2CC[N@H+](C)C2)CC1 ZINC000299797355 625665722 /nfs/dbraw/zinc/66/57/22/625665722.db2.gz PZDHRYFLCUKIOL-LBPRGKRZSA-N 2 0 293.415 0.439 50 0 CCAARP N[C@H](C[NH+]1CCCCC1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000888096411 631289558 /nfs/dbraw/zinc/28/95/58/631289558.db2.gz FVHVOWUDEIYMJH-UKRRQHHQSA-N 2 0 280.416 0.012 50 0 CCAARP CC1(C)[C@@H]2[NH2+]CCC[C@H]2[C@@H]1[NH2+]CCN1CCCC1=O ZINC000693665739 791671834 /nfs/dbraw/zinc/67/18/34/791671834.db2.gz GAMLYKLRAHUBKM-BNOWGMLFSA-N 2 0 265.401 0.975 50 0 CCAARP C[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C3CCOCC3)CC2)C1 ZINC000823755219 821535774 /nfs/dbraw/zinc/53/57/74/821535774.db2.gz IULPSEWNWCXVFT-CQSZACIVSA-N 2 0 295.427 0.698 50 0 CCAARP COCC[N@@H+]1CC[C@H](CNC(=O)C2([NH3+])CCCC2)C1 ZINC000824412361 821631159 /nfs/dbraw/zinc/63/11/59/821631159.db2.gz IIWXWNGRABNUFA-GFCCVEGCSA-N 2 0 269.389 0.342 50 0 CCAARP CO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)C[NH+]1CCCCCC1 ZINC000824504767 821633888 /nfs/dbraw/zinc/63/38/88/821633888.db2.gz NGGHMIZXKZIULW-STQMWFEESA-N 2 0 269.389 0.308 50 0 CCAARP O=C1CC[C@@H]([NH+]2CCC(C[NH+]3CCOCC3)CC2)CCN1 ZINC000828305442 821757093 /nfs/dbraw/zinc/75/70/93/821757093.db2.gz ONIRAKIDEAOZBG-OAHLLOKOSA-N 2 0 295.427 0.699 50 0 CCAARP CC(C)OC[C@H](O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000096473811 349618866 /nfs/dbraw/zinc/61/88/66/349618866.db2.gz PUXDRODJJKNGBN-OAHLLOKOSA-N 2 0 279.384 0.990 50 0 CCAARP Cc1cccnc1CN1CC[NH+](C[C@H]2[C@@H]3C[NH2+]C[C@H]23)CC1 ZINC000102329208 349677876 /nfs/dbraw/zinc/67/78/76/349677876.db2.gz SWRXMTZBLGJPCE-ZSHCYNCHSA-N 2 0 286.423 0.973 50 0 CCAARP CC(C)[NH+]1CCC(CNC(=O)CN2CC[NH2+]CC2)CC1 ZINC000067947460 348791259 /nfs/dbraw/zinc/79/12/59/348791259.db2.gz YTRWIHJUBJENNR-UHFFFAOYSA-N 2 0 282.432 0.128 50 0 CCAARP CC(C)NC(=O)C[NH2+]CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000069569061 348852562 /nfs/dbraw/zinc/85/25/62/348852562.db2.gz UPTOHYNMEMRKQQ-GFCCVEGCSA-N 2 0 271.405 0.193 50 0 CCAARP [NH3+][C@@H]1CCN(c2nc(-c3cccnc3)nc3c2CC[NH2+]C3)C1 ZINC000071754723 348909727 /nfs/dbraw/zinc/90/97/27/348909727.db2.gz JEULWIVPWHTJOR-GFCCVEGCSA-N 2 0 296.378 0.722 50 0 CCAARP O=C(NC1CC[NH+](Cc2cccnc2)CC1)[C@H]1CCC[NH2+]1 ZINC000182172000 351349995 /nfs/dbraw/zinc/34/99/95/351349995.db2.gz RPAJSBXPQWENCN-OAHLLOKOSA-N 2 0 288.395 0.914 50 0 CCAARP C[C@@H]1C[C@H](N(C)C(=O)[C@@]2(C)CC[NH2+]C2)CC[N@@H+]1C ZINC000237586269 352272706 /nfs/dbraw/zinc/27/27/06/352272706.db2.gz PSZWLOFMBDIYRS-BZPMIXESSA-N 2 0 253.390 0.927 50 0 CCAARP C[C@H](O)C[NH+]1CCC(CN(C)[C@H]2C[C@@H](C)OC2=O)CC1 ZINC000241231213 352304520 /nfs/dbraw/zinc/30/45/20/352304520.db2.gz KTBQGCVYESCOQX-SCRDCRAPSA-N 2 0 284.400 0.715 50 0 CCAARP O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000231403367 296144960 /nfs/dbraw/zinc/14/49/60/296144960.db2.gz CLUQTVNEQGJUMM-ZIAGYGMSSA-N 2 0 281.400 0.186 50 0 CCAARP O[C@H](CNc1ncnc2c1CC[NH2+]CC2)C[NH+]1CCCC1 ZINC000072440171 388963515 /nfs/dbraw/zinc/96/35/15/388963515.db2.gz DFRJIZNQELOUAL-GFCCVEGCSA-N 2 0 291.399 0.033 50 0 CCAARP C[C@@H]1CN(C(=O)[C@H](C[NH3+])c2ccccc2)C[C@@H](C)[NH2+]1 ZINC000247324624 389238664 /nfs/dbraw/zinc/23/86/64/389238664.db2.gz TVTYVJRLAZINPH-YRGRVCCFSA-N 2 0 261.369 0.938 50 0 CCAARP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000262568981 389289210 /nfs/dbraw/zinc/28/92/10/389289210.db2.gz AXYTUHCTDNZWJR-OLZOCXBDSA-N 2 0 253.390 0.929 50 0 CCAARP CC[C@H]([NH3+])C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000263299324 389299947 /nfs/dbraw/zinc/29/99/47/389299947.db2.gz YXIFGJXAZBAKSK-KFWWJZLASA-N 2 0 296.459 0.741 50 0 CCAARP C[C@H](O)C[NH+]1CCC(C[NH2+]CCC(=O)N(C)C)CC1 ZINC000069655198 175845211 /nfs/dbraw/zinc/84/52/11/175845211.db2.gz XRTDAPZBPNANMX-LBPRGKRZSA-N 2 0 271.405 0.147 50 0 CCAARP Cc1cc(N(C)CC2CC[NH+](C[C@H](C)O)CC2)nc(N)[nH+]1 ZINC000071859546 176279497 /nfs/dbraw/zinc/27/94/97/176279497.db2.gz OJPYMZCAZXVXCB-LBPRGKRZSA-N 2 0 293.415 0.896 50 0 CCAARP COC[C@@H]1CC[N@H+](Cc2cc3n(n2)CC[NH2+]C3)C1 ZINC000072169929 176332566 /nfs/dbraw/zinc/33/25/66/176332566.db2.gz HRJWBEZZPONXKM-LLVKDONJSA-N 2 0 250.346 0.455 50 0 CCAARP C[C@@H](O)C[NH+]1CCC(C[NH2+]CCCS(C)(=O)=O)CC1 ZINC000069601574 277638421 /nfs/dbraw/zinc/63/84/21/277638421.db2.gz OISMSKZHGXBPMQ-GFCCVEGCSA-N 2 0 292.445 0.104 50 0 CCAARP CC(C)(CNC(=O)C[C@H]1C[NH2+]CCO1)[NH+]1CCCC1 ZINC000534634017 328332825 /nfs/dbraw/zinc/33/28/25/328332825.db2.gz UTTYVQJUKSEFBA-LBPRGKRZSA-N 2 0 269.389 0.356 50 0 CCAARP COCCn1cncc1C[NH2+][C@H](C)Cn1ccnc1 ZINC000824466092 821632828 /nfs/dbraw/zinc/63/28/28/821632828.db2.gz GGTZJOVKZAPVRF-GFCCVEGCSA-N 2 0 263.345 0.904 50 0 CCAARP O=C1CC[C@H](C[NH+]2CCC3(CC2)C[NH2+]CCO3)O1 ZINC000828258761 821750487 /nfs/dbraw/zinc/75/04/87/821750487.db2.gz VPQITCRSDMPVPA-LLVKDONJSA-N 2 0 254.330 0.146 50 0 CCAARP O=C(N1CC=CC1)[C@@]12C[NH2+]C[C@@H]1C[N@@H+](C1CCCC1)C2 ZINC000065493511 348719537 /nfs/dbraw/zinc/71/95/37/348719537.db2.gz PTHWQRINYISQMI-CZUORRHYSA-N 2 0 275.396 0.849 50 0 CCAARP C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000069660472 348857486 /nfs/dbraw/zinc/85/74/86/348857486.db2.gz GRBNOIOIHHTJFJ-NSHDSACASA-N 2 0 282.388 0.378 50 0 CCAARP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cnn(C)c2)CC1 ZINC000069897159 348865374 /nfs/dbraw/zinc/86/53/74/348865374.db2.gz AYVBOXYBIVVVDN-ZDUSSCGKSA-N 2 0 280.416 0.945 50 0 CCAARP O=C([C@@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1)N1CCOCC1 ZINC000082091718 349290981 /nfs/dbraw/zinc/29/09/81/349290981.db2.gz FEHWPSFTLALCEZ-CYBMUJFWSA-N 2 0 281.400 0.309 50 0 CCAARP C[NH+](C)C[C@@H]1COCCN(C(=O)CC2CC[NH2+]CC2)C1 ZINC000584891911 359231471 /nfs/dbraw/zinc/23/14/71/359231471.db2.gz WLGJTUQURUMDIV-AWEZNQCLSA-N 2 0 283.416 0.413 50 0 CCAARP CN(C[C@H]1CCC[N@H+](CCO)C1)C(=O)C[NH+]1CCCC1 ZINC000584898265 359239111 /nfs/dbraw/zinc/23/91/11/359239111.db2.gz QKEZQTXWDVRPKX-CQSZACIVSA-N 2 0 283.416 0.245 50 0 CCAARP NC(=O)N1CC[NH+](C2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC000067820871 388947623 /nfs/dbraw/zinc/94/76/23/388947623.db2.gz DQEMKYHSEPFVEJ-UHFFFAOYSA-N 2 0 280.416 0.995 50 0 CCAARP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)N2CCC2)CC1 ZINC000069901508 388952989 /nfs/dbraw/zinc/95/29/89/388952989.db2.gz FBZPNAOZEOWSJT-CYBMUJFWSA-N 2 0 283.416 0.243 50 0 CCAARP O[C@]1(C[NH2+]CCCN2CCc3ccccc32)CC[NH2+]C1 ZINC000077505813 177275891 /nfs/dbraw/zinc/27/58/91/177275891.db2.gz YDJSUPKTMIBUNR-INIZCTEOSA-N 2 0 275.396 0.753 50 0 CCAARP O=C(C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1)N1CC[NH2+]CC1 ZINC000670446017 545235601 /nfs/dbraw/zinc/23/56/01/545235601.db2.gz QAVYKMHBGJFAKQ-LBPRGKRZSA-N 2 0 277.372 0.021 50 0 CCAARP [NH3+]C[C@H]1CC[N@H+](C[C@@H](O)COc2ccccc2)C1 ZINC000864096846 645173402 /nfs/dbraw/zinc/17/34/02/645173402.db2.gz KCNMCRQKHFOQHF-CHWSQXEVSA-N 2 0 250.342 0.707 50 0 CCAARP c1nn2cccnc2c1C[NH+]1CCC2(CC1)C[NH2+]CCO2 ZINC000426412476 812792346 /nfs/dbraw/zinc/79/23/46/812792346.db2.gz UXNKXCXRSAABGU-UHFFFAOYSA-N 2 0 287.367 0.684 50 0 CCAARP COCC[N@@H+]1CC[C@H](CN(C)C(=O)C2([NH3+])CCCC2)C1 ZINC001506415660 894854468 /nfs/dbraw/zinc/85/44/68/894854468.db2.gz APXASFZRJSUUQB-CYBMUJFWSA-N 2 0 283.416 0.685 50 0 CCAARP C[NH+](C)C[C@]1(O)CCN(c2nc(N)[nH+]c3c2CCCC3)C1 ZINC000095366974 349604354 /nfs/dbraw/zinc/60/43/54/349604354.db2.gz QSWHUPVZHQCGMS-OAHLLOKOSA-N 2 0 291.399 0.440 50 0 CCAARP Cc1cc(N2CC[NH+](C[C@@H](O)CO)CC2)cc(C)[nH+]1 ZINC000097515139 349642025 /nfs/dbraw/zinc/64/20/25/349642025.db2.gz OCFDMRMSAIWNTP-CQSZACIVSA-N 2 0 265.357 0.174 50 0 CCAARP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C)CC2CC2)C1 ZINC000052127968 348505586 /nfs/dbraw/zinc/50/55/86/348505586.db2.gz TYQFMDXYXYIHOU-HNNXBMFYSA-N 2 0 297.443 0.801 50 0 CCAARP CC[N@@H+]1CCn2nc(CCC(=O)NCC[NH+](C)C)cc2C1 ZINC000091486287 180167344 /nfs/dbraw/zinc/16/73/44/180167344.db2.gz QYXTUVOSMVQPRW-UHFFFAOYSA-N 2 0 293.415 0.329 50 0 CCAARP C[NH2+]CC(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC000225635270 352010022 /nfs/dbraw/zinc/01/00/22/352010022.db2.gz FYIPAAWUUBWPOR-CQSZACIVSA-N 2 0 261.369 0.987 50 0 CCAARP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000237008157 352236465 /nfs/dbraw/zinc/23/64/65/352236465.db2.gz HZFJGBHJCUUTOI-MJBXVCDLSA-N 2 0 283.416 0.541 50 0 CCAARP C[NH+](C)[C@H](CNC(=O)[C@H]1C[C@H](O)C[NH2+]1)c1ccc(F)cc1 ZINC000299750574 354045804 /nfs/dbraw/zinc/04/58/04/354045804.db2.gz NYJVUNQXWJTULM-BFHYXJOUSA-N 2 0 295.358 0.267 50 0 CCAARP C(C[N@@H+]1CCC2(C1)CC[NH2+]CC2)N1CCOCC1 ZINC000084593279 389005200 /nfs/dbraw/zinc/00/52/00/389005200.db2.gz PMFBPUAPSNUWNC-UHFFFAOYSA-N 2 0 253.390 0.394 50 0 CCAARP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000245338801 389205358 /nfs/dbraw/zinc/20/53/58/389205358.db2.gz OOYKXOOZFXQUPT-ZSAUSMIDSA-N 2 0 297.443 0.941 50 0 CCAARP C[N@@H+]1CC[C@@H]2CN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)C[C@@H]21 ZINC000331473194 290162103 /nfs/dbraw/zinc/16/21/03/290162103.db2.gz WKCLCPSJHHGNOW-UTLUCORTSA-N 2 0 294.321 0.612 50 0 CCAARP [NH3+][C@@H]1CC[NH2+]C[C@@H]1[C@H]1CC[C@H](C(F)(F)F)NC1 ZINC000757213080 581699501 /nfs/dbraw/zinc/69/95/01/581699501.db2.gz NTUKAYAABLRJOS-SGIHWFKDSA-N 2 0 251.296 0.854 50 0 CCAARP Cc1n[nH]cc1CN(C)C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC000244899387 630844254 /nfs/dbraw/zinc/84/42/54/630844254.db2.gz ZIVHZIXOLWEAEX-NSHDSACASA-N 2 0 253.350 0.133 50 0 CCAARP c1nc2c(c(N3CC[N@@H+]4CCC[C@@H]4C3)n1)CC[NH2+]C2 ZINC000067514413 632483248 /nfs/dbraw/zinc/48/32/48/632483248.db2.gz LUEPWADPWIEWRO-LLVKDONJSA-N 2 0 259.357 0.407 50 0 CCAARP O=C(C[NH+]1CCCCCC1)NC[C@H](O)C[NH+]1CCCC1 ZINC000952977055 649614215 /nfs/dbraw/zinc/61/42/15/649614215.db2.gz ZNCIBQIDJNOLHL-AWEZNQCLSA-N 2 0 283.416 0.435 50 0 CCAARP C[C@@H](CN1CCN(C)CC1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000823789140 821541707 /nfs/dbraw/zinc/54/17/07/821541707.db2.gz MTSUTEAIAVYSDE-HNNXBMFYSA-N 2 0 280.460 0.698 50 0 CCAARP C[C@H](CN1CC[NH+](C)CC1)[NH2+]CC1(CO)CCCC1 ZINC000828686776 821804496 /nfs/dbraw/zinc/80/44/96/821804496.db2.gz UWSYDRLDAUMDRK-CQSZACIVSA-N 2 0 269.433 0.765 50 0 CCAARP [NH3+]C[C@@H]1CN(C[C@]2(O)CCC[NH2+]C2)C[C@H]1c1ccccc1 ZINC000952877424 841581099 /nfs/dbraw/zinc/58/10/99/841581099.db2.gz PUWVMSYOUPEBES-IKGGRYGDSA-N 2 0 289.423 0.775 50 0 CCAARP