smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(C[N@H+]2C[C@@H]3CN(C(=O)C4CCOCC4)CCN3C(C)(C)C2)cc1 ZINC000253403734 291208304 /nfs/dbraw/zinc/20/83/04/291208304.db2.gz QJQSUTHQUMYQQK-HXUWFJFHSA-N 1 1 401.551 2.229 40 0 biogenic,in-vitro HEABMO CCOc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(CCN4CCCC4=O)CC3)C2=O)cc1 ZINC000020176527 521036063 /nfs/dbraw/zinc/03/60/63/521036063.db2.gz RRBYGOCRFKQMCA-HXUWFJFHSA-N 1 1 413.518 2.442 40 0 HEABMO COc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000034869617 557478642 /nfs/dbraw/zinc/47/86/42/557478642.db2.gz OASZSDRWHDSHDS-ZQAYVECASA-N 1 1 421.428 2.266 40 0 HEABMO COc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000034869617 557478643 /nfs/dbraw/zinc/47/86/43/557478643.db2.gz OASZSDRWHDSHDS-ZQAYVECASA-N 1 1 421.428 2.266 40 0 HEABMO C[N@@H+]1CCN(C(=O)Cn2cccc(C(=O)NC3CCCC3)c2=O)[C@H](c2ccccc2)C1 ZINC000019746288 558266300 /nfs/dbraw/zinc/26/63/00/558266300.db2.gz ZYFYDMZTWPEAFN-NRFANRHFSA-N 1 1 422.529 2.036 40 0 HEABMO C[N@H+]1CCN(C(=O)Cn2cccc(C(=O)NC3CCCC3)c2=O)[C@H](c2ccccc2)C1 ZINC000019746288 558266302 /nfs/dbraw/zinc/26/63/02/558266302.db2.gz ZYFYDMZTWPEAFN-NRFANRHFSA-N 1 1 422.529 2.036 40 0 HEABMO CC[NH+]1CCN(C(=O)COc2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)CC1 ZINC000019937858 558312779 /nfs/dbraw/zinc/31/27/79/558312779.db2.gz SEGGAWRVZIUASS-UHFFFAOYSA-N 1 1 417.531 2.055 40 0 HEABMO Cc1nn(CC(=O)NCCC[N@@H+]2CCCC[C@H]2C)c(=O)c2cc3sccc3n21 ZINC000012115270 558327787 /nfs/dbraw/zinc/32/77/87/558327787.db2.gz YVLWPJNIEUUMCR-CQSZACIVSA-N 1 1 401.536 2.400 40 0 HEABMO O=c1[nH]c2ccc(S(=O)(=O)NC[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)cc2[nH]1 ZINC000012239027 558359614 /nfs/dbraw/zinc/35/96/14/558359614.db2.gz SSTLQVKLPHIXDI-INIZCTEOSA-N 1 1 400.504 2.047 40 0 HEABMO COc1ccc(S(=O)(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1OC ZINC000017333590 558827099 /nfs/dbraw/zinc/82/70/99/558827099.db2.gz MFMQNDQGLVGQSR-UHFFFAOYSA-N 1 1 406.504 2.015 40 0 HEABMO O=C(C1CCCC1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@H+](C1CCOCC1)CC2 ZINC000019014539 558836732 /nfs/dbraw/zinc/83/67/32/558836732.db2.gz CNNGPTSYAZAVGW-LJQANCHMSA-N 1 1 400.523 2.161 40 0 HEABMO C[C@@H]1CCC[N@@H+](CCCNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000047111236 558841765 /nfs/dbraw/zinc/84/17/65/558841765.db2.gz LCQQZUBUUUXDJA-GOSISDBHSA-N 1 1 407.580 2.326 40 0 HEABMO COc1cccc(CC(=O)N2CCC[C@H]2c2nc3c(c(=O)[nH]2)C[N@H+](C(C)C)CC3)c1 ZINC000019448275 558887032 /nfs/dbraw/zinc/88/70/32/558887032.db2.gz PXTVPVWEDUCVFD-FQEVSTJZSA-N 1 1 410.518 2.451 40 0 HEABMO C[C@H]1CCCC[N@H+]1CC(=O)N1C[C@@H](c2ccc(F)c(F)c2)[C@]2(C1)COCCC(=O)N2 ZINC000019496350 558895235 /nfs/dbraw/zinc/89/52/35/558895235.db2.gz VQTNMUYOTUFSPR-YHEJKZAPSA-N 1 1 421.488 2.040 40 0 HEABMO C[C@H]1CCc2onc(C(=O)N3CCC[C@@H](c4nc5c(c(=O)[nH]4)C[N@@H+](C)CC5)C3)c2C1 ZINC000019497116 558895961 /nfs/dbraw/zinc/89/59/61/558895961.db2.gz FFVKRDIZNWKYLF-UONOGXRCSA-N 1 1 411.506 2.303 40 0 HEABMO C[C@H]1CN(c2nccc([C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C(=O)N(C)C)n2)C[C@H](C)O1 ZINC000072330534 558934877 /nfs/dbraw/zinc/93/48/77/558934877.db2.gz BWSAXPSFDVMOGU-FMWKFLBASA-N 1 1 423.561 2.394 40 0 HEABMO CCSCc1nc2c(nnn2C2CC[NH+](Cc3cnc(CC)nc3)CC2)c(=O)[nH]1 ZINC000072337406 558937840 /nfs/dbraw/zinc/93/78/40/558937840.db2.gz MGGUIOPGBIQZCB-UHFFFAOYSA-N 1 1 414.539 2.370 40 0 HEABMO CCSCc1nc2c(nnn2C2CC[NH+](Cc3cnc(C)nc3)CC2)c(=O)[nH]1 ZINC000072337407 558937893 /nfs/dbraw/zinc/93/78/93/558937893.db2.gz AODBJVPNLZYCIA-UHFFFAOYSA-N 1 1 400.512 2.116 40 0 HEABMO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccc(-n3cnnn3)cc2)cc1OC ZINC000019656763 558949501 /nfs/dbraw/zinc/94/95/01/558949501.db2.gz RACOAYZZEMVMKC-GOSISDBHSA-N 1 1 408.462 2.455 40 0 HEABMO COc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2ccc(-n3cnnn3)cc2)cc1OC ZINC000019656763 558949503 /nfs/dbraw/zinc/94/95/03/558949503.db2.gz RACOAYZZEMVMKC-GOSISDBHSA-N 1 1 408.462 2.455 40 0 HEABMO CNc1ncccc1C[N@H+]1C[C@H](C(=O)N(C)C)[C@@H](c2ccc(CNC(C)=O)cc2)C1 ZINC000019698685 558966321 /nfs/dbraw/zinc/96/63/21/558966321.db2.gz TUKKSLLLKOLDCE-RTWAWAEBSA-N 1 1 409.534 2.063 40 0 HEABMO Cc1nc2[nH]cnn2c(=O)c1CC(=O)Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2 ZINC000019717589 558980563 /nfs/dbraw/zinc/98/05/63/558980563.db2.gz XZOCHBUAKJTYJW-UHFFFAOYSA-N 1 1 414.469 2.423 40 0 HEABMO Cc1nc2[nH]cnn2c(=O)c1CC(=O)Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2 ZINC000019717589 558980565 /nfs/dbraw/zinc/98/05/65/558980565.db2.gz XZOCHBUAKJTYJW-UHFFFAOYSA-N 1 1 414.469 2.423 40 0 HEABMO COc1cc(OC)cc(C(=O)N2CCC3(CO[C@@H](C[N@H+]4CCC[C@H](O)C4)C3)CC2)c1 ZINC000585103080 559026441 /nfs/dbraw/zinc/02/64/41/559026441.db2.gz CIIRWZWYQWNSES-GHTZIAJQSA-N 1 1 418.534 2.172 40 0 HEABMO Cc1ccc(O)c(C(=O)N2CCC3(CO[C@H](C[N@@H+]4CC[C@@H](C)[C@H](O)C4)C3)CC2)c1 ZINC000585103172 559026547 /nfs/dbraw/zinc/02/65/47/559026547.db2.gz FDZLKYFKCJURGZ-LVCYWYKZSA-N 1 1 402.535 2.415 40 0 HEABMO Cc1nn(C)cc1-c1ccc2c(c1)C1(CN2C(=O)CN2CC[NH+](C)CC2)CCOCC1 ZINC000585105836 559028094 /nfs/dbraw/zinc/02/80/94/559028094.db2.gz SCBXVXMXZUJXHM-UHFFFAOYSA-N 1 1 423.561 2.038 40 0 HEABMO CC[C@@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000585106151 559028413 /nfs/dbraw/zinc/02/84/13/559028413.db2.gz SHTNCPCLSUQVFJ-AHRSYUTCSA-N 1 1 419.591 2.242 40 0 HEABMO CC[C@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000585106154 559028458 /nfs/dbraw/zinc/02/84/58/559028458.db2.gz SLIYAIAVMXDTPE-SXLOBPIMSA-N 1 1 419.591 2.075 40 0 HEABMO Cc1nc(CN2C(=O)C[C@H]3[C@@H]2CC[N@H+]3Cc2ccnc(N3CCOCC3)c2)cs1 ZINC000585109198 559030280 /nfs/dbraw/zinc/03/02/80/559030280.db2.gz ZSIYCYZNAPFUSL-OALUTQOASA-N 1 1 413.547 2.059 40 0 HEABMO O=C(NCC1CC1)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@@H+](Cc1ccccn1)CCC2 ZINC000096056149 559093842 /nfs/dbraw/zinc/09/38/42/559093842.db2.gz OVOJKVJXPMIZTI-CVDCTZTESA-N 1 1 406.534 2.116 40 0 HEABMO COCC[N@H+]1CC2(CCN(C(=O)c3ccc(Cl)cc3)CC2)[C@]2(CCN(C)C2=O)C1 ZINC000096144028 559096366 /nfs/dbraw/zinc/09/63/66/559096366.db2.gz FUFADQSSROOLAJ-JOCHJYFZSA-N 1 1 419.953 2.373 40 0 HEABMO COCC[N@H+]1CC2(CCN(C(=O)c3cc(C)cc(C)c3)CC2)[C@@]2(CCN(C)C2=O)C1 ZINC000096144240 559096490 /nfs/dbraw/zinc/09/64/90/559096490.db2.gz NAIQQMDBHADGGF-DEOSSOPVSA-N 1 1 413.562 2.336 40 0 HEABMO CCN1CC[C@@]2(C[N@@H+](Cc3cccnc3)CC23CCN(C(=O)NC(C)C)CC3)C1=O ZINC000096144406 559096672 /nfs/dbraw/zinc/09/66/72/559096672.db2.gz XQKWPFTYOIXGFX-HSZRJFAPSA-N 1 1 413.566 2.336 40 0 HEABMO O=C(C[C@H]1CC2(CC[NH2+]CC2)Oc2ccccc21)N1CCC(N2CCOCC2)CC1 ZINC000096156848 559100848 /nfs/dbraw/zinc/10/08/48/559100848.db2.gz NAXVLIZTMGWUKP-IBGZPJMESA-N 1 1 413.562 2.388 40 0 HEABMO COc1ccccc1CNC(=O)C[NH+]1CCC(O)(COc2ccccc2F)CC1 ZINC000585273565 559117599 /nfs/dbraw/zinc/11/75/99/559117599.db2.gz PJPAQNFMRVTVKR-UHFFFAOYSA-N 1 1 402.466 2.356 40 0 HEABMO COc1ccccc1C[N@@H+](C)C[C@@]1(O)CN(C(=O)CCc2ccccc2)CC[C@@H]1O ZINC000585283614 559120672 /nfs/dbraw/zinc/12/06/72/559120672.db2.gz FNERAZYGRUQMJG-LADGPHEKSA-N 1 1 412.530 2.084 40 0 HEABMO CCOc1cc(C(=S)N2CC[NH+](C)CC2)cc(I)c1O ZINC000006958936 559232412 /nfs/dbraw/zinc/23/24/12/559232412.db2.gz ZAJTTZRJWAKSOI-UHFFFAOYSA-N 1 1 406.289 2.318 40 0 HEABMO C[NH+]1CCN(c2ncc3c(ccn(CCc4c[nH]c5ccc(F)cc45)c3=O)n2)CC1 ZINC000009290413 560757812 /nfs/dbraw/zinc/75/78/12/560757812.db2.gz SGHRCKGWYOIUSO-UHFFFAOYSA-N 1 1 406.465 2.406 40 0 HEABMO Cc1cc(=O)n2c(n1)NC(N1CCN(c3ccccn3)CC1)=[NH+][C@H]2c1ccccc1 ZINC000009289463 560757841 /nfs/dbraw/zinc/75/78/41/560757841.db2.gz VBCWQBHZCLTNRW-HXUWFJFHSA-N 1 1 401.474 2.097 40 0 HEABMO CCC(C)(C)n1nnnc1[C@H](c1cc(OC)c(OC)c(OC)c1)N1CC[NH+](C)CC1 ZINC000019499525 560873417 /nfs/dbraw/zinc/87/34/17/560873417.db2.gz BLTLGAOIOLKQAW-SFHVURJKSA-N 1 1 418.542 2.181 40 0 HEABMO COc1ccc([C@@H](c2nnnn2Cc2ccccc2)N2CC[NH+](C)CC2)c(OC)c1 ZINC000019589896 560874253 /nfs/dbraw/zinc/87/42/53/560874253.db2.gz IORHWEGBCKFXQF-NRFANRHFSA-N 1 1 408.506 2.075 40 0 HEABMO COc1ccc(CCn2nnnc2[C@H](c2ccccc2)N2CC[NH+](C)CC2)cc1OC ZINC000019589913 560874262 /nfs/dbraw/zinc/87/42/62/560874262.db2.gz ASIJYKBJSRSCNX-QFIPXVFZSA-N 1 1 422.533 2.270 40 0 HEABMO COc1ccc(CCn2nnnc2[C@@H](c2ccccc2)N2CC[NH+](C)CC2)cc1OC ZINC000019589914 560874266 /nfs/dbraw/zinc/87/42/66/560874266.db2.gz ASIJYKBJSRSCNX-JOCHJYFZSA-N 1 1 422.533 2.270 40 0 HEABMO CCOc1cc(C[N@@H+]2CCc3nc(-c4cccnc4)[nH]c(=O)c3C2)ccc1OCCO ZINC000057742425 568495582 /nfs/dbraw/zinc/49/55/82/568495582.db2.gz FLZQEPWRFLOKDD-UHFFFAOYSA-N 1 1 422.485 2.160 40 0 HEABMO CCOc1cc(C[N@H+]2CCc3nc(-c4cccnc4)[nH]c(=O)c3C2)ccc1OCCO ZINC000057742425 568495583 /nfs/dbraw/zinc/49/55/83/568495583.db2.gz FLZQEPWRFLOKDD-UHFFFAOYSA-N 1 1 422.485 2.160 40 0 HEABMO C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCC[N@H+]1CCC[C@@H](C)C1 ZINC000223833413 568560331 /nfs/dbraw/zinc/56/03/31/568560331.db2.gz KMWJQHMSMKTWAJ-IAGOWNOFSA-N 1 1 411.568 2.088 40 0 HEABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000225562386 568651414 /nfs/dbraw/zinc/65/14/14/568651414.db2.gz OPAHMBTYFKIXQK-LJQANCHMSA-N 1 1 423.579 2.092 40 0 HEABMO C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCC[N@H+]1CCC[C@@H](C)C1 ZINC000260793517 568739420 /nfs/dbraw/zinc/73/94/20/568739420.db2.gz KMWJQHMSMKTWAJ-SJORKVTESA-N 1 1 411.568 2.088 40 0 HEABMO CCc1[nH+]ccn1CC(=O)N1CCC[C@](COc2ccc(F)cc2)(CC(N)=O)C1 ZINC000257209873 568778905 /nfs/dbraw/zinc/77/89/05/568778905.db2.gz BSFNKCAKXMLMFV-NRFANRHFSA-N 1 1 402.470 2.148 40 0 HEABMO COc1ccc(CCNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2c2cccc(CNC(C)=O)c2)cc1 ZINC000257277345 568797671 /nfs/dbraw/zinc/79/76/71/568797671.db2.gz NXPOHZWMTLTCOG-XZOQPEGZSA-N 1 1 409.530 2.335 40 0 HEABMO NC(=O)[C@]1(c2ccccn2)CCC[N@@H+](CC2(O)CCN(c3cccc(F)c3)CC2)C1 ZINC000257287860 568800875 /nfs/dbraw/zinc/80/08/75/568800875.db2.gz PRTYKLXOOCKKGL-HSZRJFAPSA-N 1 1 412.509 2.071 40 0 HEABMO CC(C)n1cnc2cc(C(=O)N(C)[C@@H]3CCC[C@@H]([NH+]4CCOCC4)[C@@H]3O)ccc21 ZINC000257290949 568801869 /nfs/dbraw/zinc/80/18/69/568801869.db2.gz QFACBRSXMOSZQJ-NJDAHSKKSA-N 1 1 400.523 2.303 40 0 HEABMO NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCN1CC(=O)Nc1ccccc1C(F)(F)F ZINC000257292917 568802462 /nfs/dbraw/zinc/80/24/62/568802462.db2.gz QNLSEVQXYIENQA-GOSISDBHSA-N 1 1 420.435 2.316 40 0 HEABMO NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCN1CC(=O)Nc1ccccc1C(F)(F)F ZINC000257292917 568802463 /nfs/dbraw/zinc/80/24/63/568802463.db2.gz QNLSEVQXYIENQA-GOSISDBHSA-N 1 1 420.435 2.316 40 0 HEABMO CCn1c(CCCC(=O)N[C@@H]2CCC[C@@H]([NH+]3CCOCC3)[C@@H]2O)nc2ccccc21 ZINC000257325517 568811990 /nfs/dbraw/zinc/81/19/90/568811990.db2.gz WTGRMGLSTPSITN-KKLQWCBXSA-N 1 1 414.550 2.109 40 0 HEABMO COc1ccc(NC(=O)c2nnc3n2C[C@@H]2C[N@H+](Cc4nccs4)C[C@@H]2C3)cc1 ZINC000306124426 568887478 /nfs/dbraw/zinc/88/74/78/568887478.db2.gz BPNFUMXSYZETSI-KBPBESRZSA-N 1 1 410.503 2.300 40 0 HEABMO CC(C)n1cc(C[N@@H+]2C[C@@H]3Cc4nnc(C(=O)NCc5ccccc5)n4C[C@@H]3C2)cn1 ZINC000306127275 568890071 /nfs/dbraw/zinc/89/00/71/568890071.db2.gz FTYWOYQVZZJNBH-PMACEKPBSA-N 1 1 419.533 2.290 40 0 HEABMO Cc1cc(C)cc(C[N@H+]2CC[C@@]3(C2)Cn2c(=O)c(=O)n(C4CCCC4)nc2CO3)c1 ZINC000306128725 568891426 /nfs/dbraw/zinc/89/14/26/568891426.db2.gz HJBJGFOJLZALIO-HSZRJFAPSA-N 1 1 410.518 2.312 40 0 HEABMO Cn1cc(C[N@H+]2Cc3c(=O)n(C)[n-]c3C3(CC[NH+](Cc4ccccc4)CC3)C2)cn1 ZINC000306129092 568891703 /nfs/dbraw/zinc/89/17/03/568891703.db2.gz HUDGUZFVJCELHP-UHFFFAOYSA-N 1 1 406.534 2.409 40 0 HEABMO O=C1CCCN1C[C@H]1CC[C@]2(COCC[N@@H+](Cc3ccc(-n4ccnc4)cc3)C2)O1 ZINC000306130524 568892916 /nfs/dbraw/zinc/89/29/16/568892916.db2.gz JIVKQAVOUAAOSG-GGAORHGYSA-N 1 1 410.518 2.245 40 0 HEABMO COc1ncccc1C[N@H+]1C[C@@H]2Cn3c(nnc3C(=O)Nc3cccc(F)c3)C[C@@H]2C1 ZINC000306134117 568896035 /nfs/dbraw/zinc/89/60/35/568896035.db2.gz NDVMTIMHTZSRTC-HZPDHXFCSA-N 1 1 422.464 2.377 40 0 HEABMO COc1ccc(C[N@@H+]2C[C@H]3[C@H](C2)N(C(C)C)S(=O)(=O)c2cccnc2N3C)cc1 ZINC000306137099 568898886 /nfs/dbraw/zinc/89/88/86/568898886.db2.gz QLLILXHJJLMYCS-OALUTQOASA-N 1 1 416.547 2.192 40 0 HEABMO COc1ccc(C[N@H+]2C[C@H]3[C@H](C2)N(C(C)C)S(=O)(=O)c2cccnc2N3C)cc1 ZINC000306137099 568898889 /nfs/dbraw/zinc/89/88/89/568898889.db2.gz QLLILXHJJLMYCS-OALUTQOASA-N 1 1 416.547 2.192 40 0 HEABMO O=C1N(Cc2ccncc2)CCO[C@]12C[N@@H+](Cc1cccnc1)C[C@H]2c1cccnc1 ZINC000306138947 568900933 /nfs/dbraw/zinc/90/09/33/568900933.db2.gz SLIWMGSEEOHSOD-UPVQGACJSA-N 1 1 415.497 2.269 40 0 HEABMO O=C(NCC1CC1)[C@]12CN(c3ncccn3)C[C@@H]1C[N@@H+](Cc1ccncc1)CCC2 ZINC000306140108 568901825 /nfs/dbraw/zinc/90/18/25/568901825.db2.gz UKBQYLVGYNLROK-NZQKXSOJSA-N 1 1 406.534 2.116 40 0 HEABMO Cc1ncsc1C[N@@H+]1C[C@@H]2Cc3nnc(C(=O)NCc4ccccc4)n3C[C@@H]2C1 ZINC000306143529 568904906 /nfs/dbraw/zinc/90/49/06/568904906.db2.gz YEQICXSMTWMIGI-IRXDYDNUSA-N 1 1 408.531 2.277 40 0 HEABMO C[N@H+]1C[C@H](C(=O)Nc2ccc(F)cc2)C[C@H]1C1CCN(C(=O)c2cnccn2)CC1 ZINC000248104934 569316164 /nfs/dbraw/zinc/31/61/64/569316164.db2.gz FSKVRIBFKQRMMP-UZLBHIALSA-N 1 1 411.481 2.427 40 0 HEABMO CNC(=O)c1ccc(-c2ccc([C@@H]3CN(c4cc(C)[nH+]c(C)n4)CCO3)nc2)cn1 ZINC000019693532 569346471 /nfs/dbraw/zinc/34/64/71/569346471.db2.gz OZWNRHCEMNDVFN-FQEVSTJZSA-N 1 1 404.474 2.488 40 0 HEABMO CC[NH+]1CCC2(CC1)NC(=O)N(C1CCN(Cc3cccc(OC)c3)CC1)C2=O ZINC000019699539 569347025 /nfs/dbraw/zinc/34/70/25/569347025.db2.gz FDMVTKLTOAPEBR-UHFFFAOYSA-N 1 1 400.523 2.066 40 0 HEABMO C[C@H]1Cc2cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)ccc2N1S(C)(=O)=O ZINC000020893062 569349675 /nfs/dbraw/zinc/34/96/75/569349675.db2.gz IEUHOKOHGDDOMS-KRWDZBQOSA-N 1 1 413.543 2.355 40 0 HEABMO C[NH+]1CCN(Cc2nc(C3(O)CCN(C(=O)c4ccc(F)cc4)CC3)cs2)CC1 ZINC000225472958 291205425 /nfs/dbraw/zinc/20/54/25/291205425.db2.gz PVBKCGSYGLJIDP-UHFFFAOYSA-N 1 1 418.538 2.153 40 0 biogenic,in-vitro HEABMO Cc1cccc2cc([C@@H](c3nnnn3C3CCCC3)N3CC[NH+](C)CC3)c(=O)[nH]c12 ZINC000019826252 524972782 /nfs/dbraw/zinc/97/27/82/524972782.db2.gz OZBYXDMMXNJHFB-FQEVSTJZSA-N 1 1 407.522 2.275 40 0 HEABMO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@@H+]2[C@@]32C(=O)Nc3ccc(F)cc32)cc1 ZINC000100207790 557271862 /nfs/dbraw/zinc/27/18/62/557271862.db2.gz BOESPHYEONFFIN-CROMWVBPSA-N 1 1 421.428 2.266 40 0 HEABMO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@H+]2[C@@]32C(=O)Nc3ccc(F)cc32)cc1 ZINC000100207790 557271866 /nfs/dbraw/zinc/27/18/66/557271866.db2.gz BOESPHYEONFFIN-CROMWVBPSA-N 1 1 421.428 2.266 40 0 HEABMO CC[NH+]1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)cc(C)cc3C)C2)CC1 ZINC000408559589 557456891 /nfs/dbraw/zinc/45/68/91/557456891.db2.gz MSJLSAAEUKYCMX-LJQANCHMSA-N 1 1 407.580 2.177 40 0 HEABMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1cccc(C)c1 ZINC000408710085 557737425 /nfs/dbraw/zinc/73/74/25/557737425.db2.gz OCPWRGAWCHRESO-IBGZPJMESA-N 1 1 422.529 2.464 40 0 HEABMO Cc1cccc(N(Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)S(C)(=O)=O)c1 ZINC000010688616 558259683 /nfs/dbraw/zinc/25/96/83/558259683.db2.gz AWYZVMIEMKLLPB-UHFFFAOYSA-N 1 1 401.532 2.349 40 0 HEABMO CC(C)c1[nH+]ccn1CC(=O)N1CCO[C@H](c2cc(C(N)=O)c3ccccc3n2)C1 ZINC000019762127 558276872 /nfs/dbraw/zinc/27/68/72/558276872.db2.gz GSDAMRKXOHBIOV-IBGZPJMESA-N 1 1 407.474 2.254 40 0 HEABMO Cc1nn(CC(=O)NCCC[N@@H+]2CCC[C@@H](C)C2)c(=O)c2cc3sccc3n21 ZINC000012115257 558327767 /nfs/dbraw/zinc/32/77/67/558327767.db2.gz PMGAQXTXPVMPSX-CQSZACIVSA-N 1 1 401.536 2.257 40 0 HEABMO CCn1c2ccc(S(=O)(=O)NC[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc2oc1=O ZINC000012239180 558359796 /nfs/dbraw/zinc/35/97/96/558359796.db2.gz OMNHQYFKWYCVCS-QGZVFWFLSA-N 1 1 415.515 2.415 40 0 HEABMO Cc1[nH]c2cc(C)cc(C)c2c1CC(=O)N(CC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000012360888 558387155 /nfs/dbraw/zinc/38/71/55/558387155.db2.gz UXPAORUGJWXUSY-KRWDZBQOSA-N 1 1 405.564 2.213 40 0 HEABMO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000068852997 558765927 /nfs/dbraw/zinc/76/59/27/558765927.db2.gz AXXZMTMQZQPZPV-INIZCTEOSA-N 1 1 421.950 2.351 40 0 HEABMO O=C(NC(=S)NCCC[NH+]1CCOCC1)c1cc(Br)ccc1Cl ZINC000016384346 558789003 /nfs/dbraw/zinc/78/90/03/558789003.db2.gz SMCRVJRSBFCOEH-UHFFFAOYSA-N 1 1 420.760 2.429 40 0 HEABMO C[NH+]1CCN(C(=O)CN2N=C(C(C)(C)C)Cn3c4ccsc4cc3C2=O)CC1 ZINC000036735041 558801411 /nfs/dbraw/zinc/80/14/11/558801411.db2.gz YVTRHLDMMDYCCG-UHFFFAOYSA-N 1 1 401.536 2.335 40 0 HEABMO O=C(C1CC1)N1CCCc2cc([C@@H](O)C[NH+]3CCN(c4cnccn4)CC3)ccc21 ZINC000036741237 558802142 /nfs/dbraw/zinc/80/21/42/558802142.db2.gz DSKWZADYGFNEKD-NRFANRHFSA-N 1 1 407.518 2.021 40 0 HEABMO Cc1ccccc1C[N@@H+]1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(S(C)(=O)=O)CC2 ZINC000019237213 558856445 /nfs/dbraw/zinc/85/64/45/558856445.db2.gz CCMRLEBXTRGSJB-LJQANCHMSA-N 1 1 416.547 2.123 40 0 HEABMO Cc1ccccc1C[N@H+]1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(S(C)(=O)=O)CC2 ZINC000019237213 558856447 /nfs/dbraw/zinc/85/64/47/558856447.db2.gz CCMRLEBXTRGSJB-LJQANCHMSA-N 1 1 416.547 2.123 40 0 HEABMO C[C@@H](CC[NH+]1CCOCC1)NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C1CC1)N2 ZINC000019455692 558891893 /nfs/dbraw/zinc/89/18/93/558891893.db2.gz PFRMPCOSDVLVSZ-DUVNUKRYSA-N 1 1 415.460 2.421 40 0 HEABMO C[C@@H]1CCc2onc(C(=O)N3CCC[C@H](c4nc5c(c(=O)[nH]4)C[N@@H+](C)CC5)C3)c2C1 ZINC000019497117 558895931 /nfs/dbraw/zinc/89/59/31/558895931.db2.gz FFVKRDIZNWKYLF-KGLIPLIRSA-N 1 1 411.506 2.303 40 0 HEABMO CCS(=O)(=O)N1CCC[C@H](c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2cccs2)CC3)C1 ZINC000019520312 558901202 /nfs/dbraw/zinc/90/12/02/558901202.db2.gz FYWFIXMTHBBLIW-AWEZNQCLSA-N 1 1 422.576 2.331 40 0 HEABMO CCc1nc(N2CCN(C(=O)Cn3c(=O)oc4ccc(Cl)cc43)CC2)cc(C)[nH+]1 ZINC000019523134 558904154 /nfs/dbraw/zinc/90/41/54/558904154.db2.gz WOSTXLDRJDDBEX-UHFFFAOYSA-N 1 1 415.881 2.258 40 0 HEABMO CCc1nc(N2CCN(S(=O)(=O)c3ccc4[nH]c(=O)sc4c3)CC2)cc(C)[nH+]1 ZINC000019523166 558904418 /nfs/dbraw/zinc/90/44/18/558904418.db2.gz DFOVARXPQGLRSH-UHFFFAOYSA-N 1 1 419.532 2.174 40 0 HEABMO Cc1cc(C)cc(C2(CNC(=O)C[C@H]3C(=O)NCC[N@H+]3C(C)C)CCOCC2)c1 ZINC000019569534 558928539 /nfs/dbraw/zinc/92/85/39/558928539.db2.gz RKWSFYDKPZBVQT-FQEVSTJZSA-N 1 1 401.551 2.067 40 0 HEABMO Cc1cc(C)cc(C2(CNC(=O)C[C@H]3C(=O)NCC[N@@H+]3C(C)C)CCOCC2)c1 ZINC000019569534 558928542 /nfs/dbraw/zinc/92/85/42/558928542.db2.gz RKWSFYDKPZBVQT-FQEVSTJZSA-N 1 1 401.551 2.067 40 0 HEABMO COc1ccccc1C[N@H+]1CC[C@H](c2nc3c(c(=O)[nH]2)CCN(C(=O)C2CCC2)C3)C1 ZINC000019570075 558929008 /nfs/dbraw/zinc/92/90/08/558929008.db2.gz BWOXSLARLVLJHP-SFHVURJKSA-N 1 1 422.529 2.453 40 0 HEABMO C[C@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccnc4ccccc24)C3)C[C@H](C)O1 ZINC000072335592 558936644 /nfs/dbraw/zinc/93/66/44/558936644.db2.gz HBJHIZSBWNMCFB-HOTGVXAUSA-N 1 1 405.502 2.490 40 0 HEABMO C[C@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccnc4ccccc24)C3)C[C@H](C)O1 ZINC000072335592 558936647 /nfs/dbraw/zinc/93/66/47/558936647.db2.gz HBJHIZSBWNMCFB-HOTGVXAUSA-N 1 1 405.502 2.490 40 0 HEABMO COc1ccc(OCC[N@H+]2C[C@H](C(=O)N(C)C)[C@@]3(C2)COc2ccccc2C3=O)cc1 ZINC000019581377 558936839 /nfs/dbraw/zinc/93/68/39/558936839.db2.gz PRHAYIZFEKMCOU-HYBUGGRVSA-N 1 1 424.497 2.356 40 0 HEABMO COc1ccc(CN(Cc2ccnc(N3CC[NH+](C)CC3)n2)C[C@H]2CCCO2)cc1 ZINC000019590142 558940870 /nfs/dbraw/zinc/94/08/70/558940870.db2.gz YNYIDCGNLCZRAC-JOCHJYFZSA-N 1 1 411.550 2.418 40 0 HEABMO Cc1[nH+]ccn1CCNS(=O)(=O)c1ccc2c(c1)[C@@H](NC(=O)C1CCCC1)CC2 ZINC000072345862 558942451 /nfs/dbraw/zinc/94/24/51/558942451.db2.gz JGQXUSRSHJIWSP-FQEVSTJZSA-N 1 1 416.547 2.464 40 0 HEABMO C[N@H+]1CCC[C@H](NC(=O)c2ccc(C3CCN(C(=O)c4ccccn4)CC3)nc2)C1 ZINC000072374434 558961957 /nfs/dbraw/zinc/96/19/57/558961957.db2.gz HOPHTGJTPAPXNC-IBGZPJMESA-N 1 1 407.518 2.320 40 0 HEABMO CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2c2ccc3c(=O)n(C)c(=O)n(C)c3n2)cc1 ZINC000072374610 558962436 /nfs/dbraw/zinc/96/24/36/558962436.db2.gz ZILHFARMQMLGQG-FQEVSTJZSA-N 1 1 421.501 2.318 40 0 HEABMO CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2c2ccc3c(=O)n(C)c(=O)n(C)c3n2)cc1 ZINC000072374609 558962532 /nfs/dbraw/zinc/96/25/32/558962532.db2.gz ZILHFARMQMLGQG-HXUWFJFHSA-N 1 1 421.501 2.318 40 0 HEABMO COc1cccc(C[N@@H+]2C[C@@H]3CC[C@@](O)(c4cnc(OC)nc4OC)[C@@H]3C2)c1OC ZINC000072392594 558972375 /nfs/dbraw/zinc/97/23/75/558972375.db2.gz GSJIWGWUAIFMHL-WTBBCNCBSA-N 1 1 415.490 2.241 40 0 HEABMO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@@](O)(c4cnc(OC)nc4OC)[C@@H]3C2)cc1OC ZINC000072392581 558972444 /nfs/dbraw/zinc/97/24/44/558972444.db2.gz OECYYQTWTROTOS-LBUQITIBSA-N 1 1 415.490 2.241 40 0 HEABMO Cc1cccn2c(=O)c(C(=O)N[C@H](CC[NH+]3CCOCC3)c3ccccc3)cnc12 ZINC000019714698 558974859 /nfs/dbraw/zinc/97/48/59/558974859.db2.gz QOVWGGLZERJJRG-HXUWFJFHSA-N 1 1 406.486 2.196 40 0 HEABMO O=C(C[N@@H+]1CC[C@@]12CCCN(C(=O)c1ccc(NC(=O)C3CC3)cc1)C2)N1CCCC1 ZINC000585101749 559024784 /nfs/dbraw/zinc/02/47/84/559024784.db2.gz DOEILXYRUNKCCP-XMMPIXPASA-N 1 1 424.545 2.338 40 0 HEABMO O=C(C[N@H+]1CC[C@@]12CCCN(C(=O)c1ccc(NC(=O)C3CC3)cc1)C2)N1CCCC1 ZINC000585101749 559024785 /nfs/dbraw/zinc/02/47/85/559024785.db2.gz DOEILXYRUNKCCP-XMMPIXPASA-N 1 1 424.545 2.338 40 0 HEABMO CCC[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc(Cl)cc2OC)CC1 ZINC000585106112 559028438 /nfs/dbraw/zinc/02/84/38/559028438.db2.gz MWZDILWLSYJFDN-SJORKVTESA-N 1 1 405.926 2.411 40 0 HEABMO CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2cc(C3CC3)on2)CC1 ZINC000585106318 559028686 /nfs/dbraw/zinc/02/86/86/559028686.db2.gz SNRAGRVLZAMSCC-UAGQMJEPSA-N 1 1 400.523 2.393 40 0 HEABMO Cc1noc(CC(=O)N2CCO[C@@H](c3[nH+]cn4cc(-c5ccncc5)ccc34)C2)n1 ZINC000585113148 559031024 /nfs/dbraw/zinc/03/10/24/559031024.db2.gz OSWZSJVLDDHVTL-GOSISDBHSA-N 1 1 404.430 2.230 40 0 HEABMO Cc1ccc(S(=O)(=O)N2CCC3(C[N@H+](CC(C)C)C[C@@]34CCNC4=O)CC2)cc1 ZINC000096100445 559095480 /nfs/dbraw/zinc/09/54/80/559095480.db2.gz YOZXHBXXYGLNQT-JOCHJYFZSA-N 1 1 419.591 2.244 40 0 HEABMO CC[N@H+]1C[C@H]2C3(CC[C@@]2(C(=O)NC)C1)CCN(C(=O)Cc1ccc(OC)cc1)CC3 ZINC000096143862 559096291 /nfs/dbraw/zinc/09/62/91/559096291.db2.gz PYQXGRVCCVBDCS-GBXCKJPGSA-N 1 1 413.562 2.324 40 0 HEABMO COCC[N@H+]1CC2(CCN(C(=O)c3cc(C)cc(C)c3)CC2)[C@]2(CCN(C)C2=O)C1 ZINC000096144239 559096471 /nfs/dbraw/zinc/09/64/71/559096471.db2.gz NAIQQMDBHADGGF-XMMPIXPASA-N 1 1 413.562 2.336 40 0 HEABMO O=C(Nc1ccccc1)N1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](Cc3cccnc3)C[C@H]12 ZINC000096262201 559106431 /nfs/dbraw/zinc/10/64/31/559106431.db2.gz DOGDEINNIUALCK-VQTJNVASSA-N 1 1 405.502 2.326 40 0 HEABMO Cn1ccnc1COc1ccc(C[N@@H+](C)C[C@@]2(O)CCN(c3ccccn3)C2)cc1 ZINC000585270705 559116564 /nfs/dbraw/zinc/11/65/64/559116564.db2.gz PHSJDQWKYCGHJF-QHCPKHFHSA-N 1 1 407.518 2.467 40 0 HEABMO COCC(=O)N1CC[N@H+](C2CCCCC2)C[C@](O)(COc2cccc(F)c2F)C1 ZINC000585287585 559123133 /nfs/dbraw/zinc/12/31/33/559123133.db2.gz PCYGHAOWODELOC-OAQYLSRUSA-N 1 1 412.477 2.198 40 0 HEABMO CC(=O)N1CC[N@@H+](CC2(O)CCCCC2)C[C@@](O)(COc2ccc(F)c(C)c2)C1 ZINC000585287504 559123171 /nfs/dbraw/zinc/12/31/71/559123171.db2.gz NJUUXGSAIMOAHL-QFIPXVFZSA-N 1 1 408.514 2.103 40 0 HEABMO CCOc1ncc(C2(O)C3CCCC2C[NH+](Cc2cnc(C)nc2)C3)c(OCC)n1 ZINC000100149764 559130767 /nfs/dbraw/zinc/13/07/67/559130767.db2.gz LQKQYZVVEYUZOT-ROUUACIJSA-N 1 1 413.522 2.492 40 0 HEABMO O=C(C[NH+]1CCC(O)(COc2ccccc2F)CC1)NCc1ccc2c(c1)OCO2 ZINC000257230690 559283901 /nfs/dbraw/zinc/28/39/01/559283901.db2.gz GDLOQXBOVBKZOW-UHFFFAOYSA-N 1 1 416.449 2.077 40 0 HEABMO CC[NH+]1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)CC1 ZINC000409370845 560716832 /nfs/dbraw/zinc/71/68/32/560716832.db2.gz URWNZEXKVPSBNI-UHFFFAOYSA-N 1 1 417.531 2.339 40 0 HEABMO C[C@@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)N(c1ccccc1)S(C)(=O)=O ZINC000409412401 560722887 /nfs/dbraw/zinc/72/28/87/560722887.db2.gz WBSBWAYPBWHRFF-SFHVURJKSA-N 1 1 401.532 2.186 40 0 HEABMO Cn1cc(CCn2ccc3nc(N4CC[NH+](C)CC4)ncc3c2=O)c2ccccc21 ZINC000009265844 560757694 /nfs/dbraw/zinc/75/76/94/560757694.db2.gz JYXJIWPRAOOCFP-UHFFFAOYSA-N 1 1 402.502 2.278 40 0 HEABMO COC(=O)C1=C(C[NH+]2C[C@@H](C)C[C@H](C)C2)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000057731140 560808595 /nfs/dbraw/zinc/80/85/95/560808595.db2.gz HPQPUHWWPCAXES-YRVVQQKDSA-N 1 1 417.506 2.463 40 0 HEABMO Cc1ccc(NC(=O)[C@H]2CC(=O)NC(N3CC[NH+](Cc4ccccc4)CC3)=N2)c(C)c1 ZINC000014606992 560846691 /nfs/dbraw/zinc/84/66/91/560846691.db2.gz SJAAHZVELDPEST-OAQYLSRUSA-N 1 1 419.529 2.304 40 0 HEABMO Cc1ccc2cc([C@@H](c3nnnn3C(C)(C)C)N3CC[NH+](C)CC3)c(=O)[nH]c2c1C ZINC000019234192 560872104 /nfs/dbraw/zinc/87/21/04/560872104.db2.gz VBCGATBAKORJQS-IBGZPJMESA-N 1 1 409.538 2.223 40 0 HEABMO CCC(C)(C)n1nnnc1[C@@H](c1cc2ccc(C)cc2[nH]c1=O)N1CC[NH+](C)CC1 ZINC000019499610 560873440 /nfs/dbraw/zinc/87/34/40/560873440.db2.gz BTNDJOSJEVJCAE-LJQANCHMSA-N 1 1 409.538 2.305 40 0 HEABMO COc1ccc([C@@H](c2nnnn2Cc2cccs2)N2CC[NH+](C)CC2)cc1OC ZINC000019589856 560873901 /nfs/dbraw/zinc/87/39/01/560873901.db2.gz RHGHRSGGUPJPEK-IBGZPJMESA-N 1 1 414.535 2.137 40 0 HEABMO C[NH+]1CCN(C(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000020528539 568443293 /nfs/dbraw/zinc/44/32/93/568443293.db2.gz FVXMEERHTWRVQL-UHFFFAOYSA-N 1 1 421.950 2.305 40 0 HEABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000225562416 568651388 /nfs/dbraw/zinc/65/13/88/568651388.db2.gz OPAHMBTYFKIXQK-IBGZPJMESA-N 1 1 423.579 2.092 40 0 HEABMO Oc1cccnc1C[N@H+]1CC[C@]2(C1)COCc1cnc(NCC3CCOCC3)nc12 ZINC000248069871 568747262 /nfs/dbraw/zinc/74/72/62/568747262.db2.gz XODVTMLTGWOKQK-QFIPXVFZSA-N 1 1 411.506 2.090 40 0 HEABMO CN1CCN(c2ncc3c(n2)[C@@]2(CC[N@@H+](Cc4ccc5c(c4)CCC5)C2)COC3)CC1 ZINC000248100897 568747485 /nfs/dbraw/zinc/74/74/85/568747485.db2.gz DVHSOGHZCYGPLB-RUZDIDTESA-N 1 1 419.573 2.391 40 0 HEABMO COc1cc2c(cc1C[N@H+]1CCC[C@H](c3n[nH]cc3C(=O)N(C)C)C1)OCCO2 ZINC000257215465 568780634 /nfs/dbraw/zinc/78/06/34/568780634.db2.gz CQFNVJQLMQHWPW-AWEZNQCLSA-N 1 1 400.479 2.271 40 0 HEABMO Cc1nn(C)cc1NC(=O)C[N@H+]1[C@H](Cc2ccccc2)C[C@]2(C)NC(=O)CCC[C@H]12 ZINC000257223263 568782918 /nfs/dbraw/zinc/78/29/18/568782918.db2.gz DWOYQJPGJLMCMI-RFWXGWTQSA-N 1 1 409.534 2.411 40 0 HEABMO CNc1nc([C@@H]2CCN(S(=O)(=O)c3ccc(F)c(C)c3)C2)nc2c1CC[N@H+](C)C2 ZINC000257234532 568785871 /nfs/dbraw/zinc/78/58/71/568785871.db2.gz GTYOPYGKMKKBIV-CQSZACIVSA-N 1 1 419.526 2.132 40 0 HEABMO CNc1nc([C@@H]2CCN(S(=O)(=O)c3ccc(F)c(C)c3)C2)nc2c1CC[N@@H+](C)C2 ZINC000257234532 568785874 /nfs/dbraw/zinc/78/58/74/568785874.db2.gz GTYOPYGKMKKBIV-CQSZACIVSA-N 1 1 419.526 2.132 40 0 HEABMO Cc1nc2ccccc2n1CCCC(=O)N(C)[C@@H]1CCC[C@@H]([NH+]2CCOCC2)[C@@H]1O ZINC000257236354 568786599 /nfs/dbraw/zinc/78/65/99/568786599.db2.gz HBTVBXGTKPTMOC-MQSCRBSSSA-N 1 1 414.550 2.198 40 0 HEABMO C[N@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)Cn1ccc(=O)[nH]c1=O)[C@H]2Cc1ccccc1 ZINC000257238363 568787072 /nfs/dbraw/zinc/78/70/72/568787072.db2.gz HKQBLCFJMRLXKF-VOSKCVMKSA-N 1 1 422.529 2.034 40 0 HEABMO COc1ccc(C[N@H+]2CC[C@@H](c3nc(C)c(CC(=O)N4CCOCC4)c(C)n3)C2)cc1 ZINC000257247539 568789546 /nfs/dbraw/zinc/78/95/46/568789546.db2.gz IZKQWTSWNQMTHD-HXUWFJFHSA-N 1 1 424.545 2.493 40 0 HEABMO CN(Cc1ccccc1)C(=O)[C@@H]1C[N@@H+](C)CC2(CCN(C(=O)c3ccco3)CC2)O1 ZINC000306127520 568890574 /nfs/dbraw/zinc/89/05/74/568890574.db2.gz GAONVXTWXLNLEE-FQEVSTJZSA-N 1 1 411.502 2.244 40 0 HEABMO O=c1c(=O)n(Cc2cccs2)nc2n1CC[C@@]21CC[N@H+](Cc2cccc(F)c2)C1 ZINC000306131413 568893736 /nfs/dbraw/zinc/89/37/36/568893736.db2.gz KDWABVXMLRJXSL-OAQYLSRUSA-N 1 1 412.490 2.201 40 0 HEABMO Cc1ccc(C[N@H+]2CC[C@]3(CCn4c3nn(Cc3cccs3)c(=O)c4=O)C2)s1 ZINC000306143021 568904677 /nfs/dbraw/zinc/90/46/77/568904677.db2.gz XRCBYHHIZJAWSD-FQEVSTJZSA-N 1 1 414.556 2.432 40 0 HEABMO O=C(Cn1cnc2c3ccccc3[nH]c2c1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000014001101 569051989 /nfs/dbraw/zinc/05/19/89/569051989.db2.gz MGFMIPSESJVUCR-UHFFFAOYSA-N 1 1 401.470 2.222 40 0 HEABMO CC[NH+]1CCN(C(=O)CCc2ccc(S(=O)(=O)NC3CCCCC3)cc2)CC1 ZINC000006953223 569335661 /nfs/dbraw/zinc/33/56/61/569335661.db2.gz UASDFPRQXPNVKL-UHFFFAOYSA-N 1 1 407.580 2.394 40 0 HEABMO CC(C)[N@@H+]1CCN2C(=O)c3ccccc3OCC[C@@H]3CCC[C@@H](CNC(=O)[C@@H]2C1)O3 ZINC000253408421 569366276 /nfs/dbraw/zinc/36/62/76/569366276.db2.gz XWLLTDWJBDQNOR-BJLQDIEVSA-N 1 1 415.534 2.058 40 0 HEABMO CC(C)[N@H+]1CCN2C(=O)c3ccccc3OCC[C@@H]3CCC[C@@H](CNC(=O)[C@@H]2C1)O3 ZINC000253408421 569366278 /nfs/dbraw/zinc/36/62/78/569366278.db2.gz XWLLTDWJBDQNOR-BJLQDIEVSA-N 1 1 415.534 2.058 40 0 HEABMO c1nscc1C[N@H+]1CC[C@]2(C1)COCc1cnc(NCC3CCOCC3)nc12 ZINC000263621707 571043558 /nfs/dbraw/zinc/04/35/58/571043558.db2.gz BRQUKQHGMARTRH-FQEVSTJZSA-N 1 1 401.536 2.446 40 0 HEABMO c1nscc1C[N@@H+]1CC[C@]2(C1)COCc1cnc(NCC3CCOCC3)nc12 ZINC000263621707 571043560 /nfs/dbraw/zinc/04/35/60/571043560.db2.gz BRQUKQHGMARTRH-FQEVSTJZSA-N 1 1 401.536 2.446 40 0 HEABMO CC(=O)N1CCC([N@H+]2CCN3[C@H](CN(C(=O)c4ccccc4F)CC3(C)C)C2)CC1 ZINC000253406033 291202403 /nfs/dbraw/zinc/20/24/03/291202403.db2.gz UCRWMKWDQMVPNM-IBGZPJMESA-N 1 1 416.541 2.057 40 0 biogenic,in-vitro HEABMO C[NH+]1CCN(Cc2nc(C3(O)CCN(C(=O)c4ccccc4F)CC3)cs2)CC1 ZINC000225472866 291205443 /nfs/dbraw/zinc/20/54/43/291205443.db2.gz DQPOTQBQPYRKMW-UHFFFAOYSA-N 1 1 418.538 2.153 40 0 biogenic,in-vitro HEABMO COc1ccc(-c2cc(C[C@@H]3CC[C@H](O)[C@@H](C[NH2+]C4CC[NH+](C)CC4)O3)no2)cc1 ZINC000077263339 291207824 /nfs/dbraw/zinc/20/78/24/291207824.db2.gz ZKOSZOKGYSBARL-QNWVGRARSA-N 1 1 415.534 2.485 40 0 biogenic,in-vitro HEABMO C[C@@]1(CO)C[N@@H+](Cc2ccccc2)C[C@@H]2CN(C(=O)NC3CCCCC3)CCN21 ZINC000253394509 291210177 /nfs/dbraw/zinc/21/01/77/291210177.db2.gz BEMMPQOTFOZXAE-GGAORHGYSA-N 1 1 400.567 2.282 40 0 biogenic,in-vitro HEABMO CC(C)[C@@H](CNC(=O)c1cc(N2CCOCC2)nc2ccccc21)[NH+]1CCOCC1 ZINC000019718088 132469387 /nfs/dbraw/zinc/46/93/87/132469387.db2.gz CHLAYFKXKGIPSS-OAQYLSRUSA-N 1 1 412.534 2.158 40 0 HEABMO CC[NH+]1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4ccccc4c3)C2)CC1 ZINC000408554685 557444628 /nfs/dbraw/zinc/44/46/28/557444628.db2.gz DGUQCKMREFPIGB-HXUWFJFHSA-N 1 1 415.559 2.405 40 0 HEABMO CC[NH+]1CCN([C@H](c2nnnn2C(C)C)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000020140502 558338940 /nfs/dbraw/zinc/33/89/40/558338940.db2.gz QFVRZODDNBKILE-SFHVURJKSA-N 1 1 404.515 2.007 40 0 HEABMO CCn1c2ccc(S(=O)(=O)NC[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc2oc1=O ZINC000012239176 558359945 /nfs/dbraw/zinc/35/99/45/558359945.db2.gz OMNHQYFKWYCVCS-KRWDZBQOSA-N 1 1 415.515 2.415 40 0 HEABMO CC[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Cc1c(C)nc(-c2ccccc2)nc1OC ZINC000022863803 558517887 /nfs/dbraw/zinc/51/78/87/558517887.db2.gz OAMBABBMLQOYSO-IBGZPJMESA-N 1 1 411.550 2.145 40 0 HEABMO COc1ccc2c(c1)c(CN1CCC([N@H+]3C[C@@H](C)O[C@@H](C)C3)CC1)cn2CC(N)=O ZINC000036741487 558802354 /nfs/dbraw/zinc/80/23/54/558802354.db2.gz FBQLRYYVPBUBAT-CALCHBBNSA-N 1 1 414.550 2.209 40 0 HEABMO COc1ccc2c(c1)c(CN1CCC([N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC1)cn2CC(N)=O ZINC000036741487 558802356 /nfs/dbraw/zinc/80/23/56/558802356.db2.gz FBQLRYYVPBUBAT-CALCHBBNSA-N 1 1 414.550 2.209 40 0 HEABMO O=C(C[C@H]1C=CCC1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@H+](C1CCOCC1)CC2 ZINC000019014474 558836585 /nfs/dbraw/zinc/83/65/85/558836585.db2.gz PJHRBTUYFGMKHG-JXFKEZNVSA-N 1 1 412.534 2.327 40 0 HEABMO Cc1cc2nc([C@@H]3CCC[N@H+](Cc4ccc5c(c4)n(C)c(=O)n5C)C3)cc(N)n2n1 ZINC000019129290 558845230 /nfs/dbraw/zinc/84/52/30/558845230.db2.gz VBERPDPEQVIPLC-MRXNPFEDSA-N 1 1 405.506 2.190 40 0 HEABMO Cc1cnc(-c2nnc([C@@H]3CCN(C(=O)C[N@@H+]4CCc5ccccc5C4)C3)o2)cn1 ZINC000019239155 558857815 /nfs/dbraw/zinc/85/78/15/558857815.db2.gz SQEIQWVWTJASCV-GOSISDBHSA-N 1 1 404.474 2.209 40 0 HEABMO Cc1cnc(-c2nnc([C@@H]3CCN(C(=O)C[N@H+]4CCc5ccccc5C4)C3)o2)cn1 ZINC000019239155 558857816 /nfs/dbraw/zinc/85/78/16/558857816.db2.gz SQEIQWVWTJASCV-GOSISDBHSA-N 1 1 404.474 2.209 40 0 HEABMO O=C(C[C@H]1C=CCC1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2cccnc2)C3)C1 ZINC000019339495 558871065 /nfs/dbraw/zinc/87/10/65/558871065.db2.gz XNSGMZKYRQOUHV-HKUYNNGSSA-N 1 1 419.529 2.395 40 0 HEABMO O=C(C[C@H]1C=CCC1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2cccnc2)C3)C1 ZINC000019339495 558871067 /nfs/dbraw/zinc/87/10/67/558871067.db2.gz XNSGMZKYRQOUHV-HKUYNNGSSA-N 1 1 419.529 2.395 40 0 HEABMO O=C1N[C@]2(C[N@@H+](Cc3cc4c(cc3Cl)OCO4)C[C@@H]2CO)Cc2ccccc21 ZINC000019375599 558881772 /nfs/dbraw/zinc/88/17/72/558881772.db2.gz YUYSOUDAXANDNR-VFNWGFHPSA-N 1 1 400.862 2.218 40 0 HEABMO O=C1N[C@]2(C[N@H+](Cc3cc4c(cc3Cl)OCO4)C[C@@H]2CO)Cc2ccccc21 ZINC000019375599 558881774 /nfs/dbraw/zinc/88/17/74/558881774.db2.gz YUYSOUDAXANDNR-VFNWGFHPSA-N 1 1 400.862 2.218 40 0 HEABMO CC(C)[N@H+]1CCc2nc([C@@H]3CCCCN3C(=O)c3ccnc(N(C)C)c3)[nH]c(=O)c2C1 ZINC000019448184 558887181 /nfs/dbraw/zinc/88/71/81/558887181.db2.gz YFDAOBSDRCOAHE-IBGZPJMESA-N 1 1 424.549 2.365 40 0 HEABMO CC(C)NC(=O)[C@H]1C[C@H](C2CCN(S(=O)(=O)c3cccc(F)c3)CC2)[N@@H+](C)C1 ZINC000019449780 558888462 /nfs/dbraw/zinc/88/84/62/558888462.db2.gz LLHCUDZYNQBIEJ-QFBILLFUSA-N 1 1 411.543 2.071 40 0 HEABMO C[C@@H]1CCc2onc(C(=O)N3CCC[C@@H](c4nc5c(c(=O)[nH]4)C[N@@H+](C)CC5)C3)c2C1 ZINC000019497115 558895918 /nfs/dbraw/zinc/89/59/18/558895918.db2.gz FFVKRDIZNWKYLF-ZIAGYGMSSA-N 1 1 411.506 2.303 40 0 HEABMO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2cccc4cccnc42)C3)C[C@H](C)O1 ZINC000019497604 558896442 /nfs/dbraw/zinc/89/64/42/558896442.db2.gz PGJUTWVFDYSYAC-IYBDPMFKSA-N 1 1 405.502 2.490 40 0 HEABMO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2cccc4cccnc42)C3)C[C@H](C)O1 ZINC000019497604 558896444 /nfs/dbraw/zinc/89/64/44/558896444.db2.gz PGJUTWVFDYSYAC-IYBDPMFKSA-N 1 1 405.502 2.490 40 0 HEABMO COc1ccc(CCC(=O)N2CC[N@@H+](C)C[C@H](Cc3cc(N(C)C)ncn3)C2)cc1 ZINC000072355156 558952616 /nfs/dbraw/zinc/95/26/16/558952616.db2.gz GIIDSHXDKUREQZ-IBGZPJMESA-N 1 1 411.550 2.117 40 0 HEABMO CC(=O)Nc1cccc(-c2nccnc2[C@@H]2CCC[N@@H+](CC(=O)N3CCOCC3)C2)c1 ZINC000072358539 558954092 /nfs/dbraw/zinc/95/40/92/558954092.db2.gz IYDFEIDVUDECHK-LJQANCHMSA-N 1 1 423.517 2.140 40 0 HEABMO Cc1sc(NC(=O)[C@@H]2CCC[N@H+](CC(N)=O)C2)nc1-c1ccc2c(c1)OCCO2 ZINC000019663715 558954351 /nfs/dbraw/zinc/95/43/51/558954351.db2.gz FPOCWAPXQLTPBN-CQSZACIVSA-N 1 1 416.503 2.026 40 0 HEABMO Cc1sc(NC(=O)[C@@H]2CCC[N@@H+](CC(N)=O)C2)nc1-c1ccc2c(c1)OCCO2 ZINC000019663715 558954354 /nfs/dbraw/zinc/95/43/54/558954354.db2.gz FPOCWAPXQLTPBN-CQSZACIVSA-N 1 1 416.503 2.026 40 0 HEABMO CC(=O)NCc1ccc([C@H]2C[N@H+](Cc3cnc(C)s3)C[C@@H]2C(=O)N(C)C)cc1 ZINC000072370195 558956328 /nfs/dbraw/zinc/95/63/28/558956328.db2.gz TWIFLUXNVJOAPU-UXHICEINSA-N 1 1 400.548 2.391 40 0 HEABMO CNc1nc([C@@H]2CCC[N@@H+](C)C2)nc2c1CN(C(=O)COc1ccc(F)cc1)CC2 ZINC000019710311 558972218 /nfs/dbraw/zinc/97/22/18/558972218.db2.gz RWOYWRVICKNUKY-OAHLLOKOSA-N 1 1 413.497 2.430 40 0 HEABMO CNc1nc([C@H]2CCC[N@@H+](C)C2)nc2c1CN(C(=O)CC1(O)CCCCC1)CC2 ZINC000019710553 558972557 /nfs/dbraw/zinc/97/25/57/558972557.db2.gz MWGAWBDZDNRLNI-INIZCTEOSA-N 1 1 401.555 2.298 40 0 HEABMO CNc1nc([C@@H]2CCC[N@@H+](C)C2)nc2c1CN(C(=O)CC1(O)CCCCC1)CC2 ZINC000019710552 558972613 /nfs/dbraw/zinc/97/26/13/558972613.db2.gz MWGAWBDZDNRLNI-MRXNPFEDSA-N 1 1 401.555 2.298 40 0 HEABMO Cc1cn2c(ncc(C(=O)N[C@@H](CC[NH+]3CCOCC3)c3ccccc3)c2=O)s1 ZINC000019717138 558979597 /nfs/dbraw/zinc/97/95/97/558979597.db2.gz GBDKLJJVPGUVKY-SFHVURJKSA-N 1 1 412.515 2.258 40 0 HEABMO O=C(NCc1ccon1)[C@@H]1C[N@@H+](Cc2ccc(-n3ccnc3)cc2)CC12CCOCC2 ZINC000585101965 559025024 /nfs/dbraw/zinc/02/50/24/559025024.db2.gz LEASSSPRZMQJAY-NRFANRHFSA-N 1 1 421.501 2.405 40 0 HEABMO Cc1nc(C)c(C[N@H+]2C[C@@H](C(=O)NCc3ncc(C)cn3)C3(C2)CCOCC3)s1 ZINC000585101999 559025209 /nfs/dbraw/zinc/02/52/09/559025209.db2.gz VENZNOJSDYIOBA-KRWDZBQOSA-N 1 1 415.563 2.403 40 0 HEABMO Cc1ccccc1S(=O)(=O)N1CCC2(CO[C@@H](C[N@H+]3CCC[C@@H](O)C3)C2)CC1 ZINC000585104243 559026868 /nfs/dbraw/zinc/02/68/68/559026868.db2.gz OPOZQYYXYAMFBD-RTBURBONSA-N 1 1 408.564 2.012 40 0 HEABMO C[C@@H]1CC[N@@H+](C[C@@H]2CC3(CO2)CCN(S(=O)(=O)Cc2ccccc2)CC3)C[C@H]1O ZINC000585105135 559027652 /nfs/dbraw/zinc/02/76/52/559027652.db2.gz ZCYKQSSMODTAMS-HLAWJBBLSA-N 1 1 422.591 2.090 40 0 HEABMO CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc3c(c2)CCO3)CC1 ZINC000585106285 559028655 /nfs/dbraw/zinc/02/86/55/559028655.db2.gz NWQOTRXWLSEJKG-DBVUQKKJSA-N 1 1 411.546 2.463 40 0 HEABMO CCCC[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2cc(OC)cc(OC)c2)CC1 ZINC000585106265 559028702 /nfs/dbraw/zinc/02/87/02/559028702.db2.gz JDNSMFOXJKLYGJ-UXHICEINSA-N 1 1 415.534 2.157 40 0 HEABMO [NH3+]C[C@H]1CC[C@H](C(=O)N2CCC[C@H](C3=Nc4ccccc4S(=O)(=O)N3)C2)CC1 ZINC000100221972 559132335 /nfs/dbraw/zinc/13/23/35/559132335.db2.gz BAAFRJROPJVASZ-XHSDSOJGSA-N 1 1 404.536 2.012 40 0 HEABMO COc1ccc(CNC(=O)C[NH+]2CCC(NC(=O)c3cccc(OC)c3)CC2)cc1 ZINC000004910045 560618328 /nfs/dbraw/zinc/61/83/28/560618328.db2.gz LXUFQELSYTYDKQ-UHFFFAOYSA-N 1 1 411.502 2.214 40 0 HEABMO CCN(c1ccc(OCC(=O)N2CC[NH+](C)CC2)cc1)S(=O)(=O)c1ccccc1 ZINC000013585014 560815181 /nfs/dbraw/zinc/81/51/81/560815181.db2.gz SDJZDIKELFNWLD-UHFFFAOYSA-N 1 1 417.531 2.055 40 0 HEABMO CC[NH+]1CCN([C@H](c2nnnn2Cc2ccc(OC)cc2)c2ccccc2OC)CC1 ZINC000019528103 560874791 /nfs/dbraw/zinc/87/47/91/560874791.db2.gz NNJDYKCIAFQNEJ-QFIPXVFZSA-N 1 1 422.533 2.466 40 0 HEABMO COCCn1nnnc1[C@@H](c1ccccc1F)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019594100 560875383 /nfs/dbraw/zinc/87/53/83/560875383.db2.gz WRMWNQZSBNAVIM-OAQYLSRUSA-N 1 1 410.497 2.366 40 0 HEABMO CCOc1ncc(C2(O)CC[NH+](Cc3ccc(O)c(OC)c3)CC2)c(OCC)n1 ZINC000057743811 568495703 /nfs/dbraw/zinc/49/57/03/568495703.db2.gz QGOVKQWUQACZJW-UHFFFAOYSA-N 1 1 403.479 2.472 40 0 HEABMO COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CC[NH+](C)CC3)cc2C)cc1 ZINC000224225047 568574345 /nfs/dbraw/zinc/57/43/45/568574345.db2.gz BXDONJHQVNLTPT-UHFFFAOYSA-N 1 1 417.531 2.216 40 0 HEABMO C[C@H]1CCC[N@@H+](CCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)C1 ZINC000260899542 568743141 /nfs/dbraw/zinc/74/31/41/568743141.db2.gz LYOBYWQBNPDLNC-OALUTQOASA-N 1 1 407.580 2.326 40 0 HEABMO CC(C)(C)c1ccc(OCC(N)=O)c(C[N@H+]2CC[C@H](O)[C@@H](n3ccnc3)CC2)c1 ZINC000257226367 568783937 /nfs/dbraw/zinc/78/39/37/568783937.db2.gz FKIXXNUJSUZDCF-OALUTQOASA-N 1 1 400.523 2.243 40 0 HEABMO COc1cccc2c1OC1(CC[NH+](CC(=O)N3CCOCC3)CC1)[C@H]1CCCO[C@H]21 ZINC000257265033 568794191 /nfs/dbraw/zinc/79/41/91/568794191.db2.gz LWZOPJTWQIOFRY-GHTZIAJQSA-N 1 1 416.518 2.249 40 0 HEABMO Cc1[nH+]ccn1[C@@H]1CC[C@@H](NC(=O)Cn2c3ccccc3nc2C(F)(F)F)[C@H]1O ZINC000257303259 568805517 /nfs/dbraw/zinc/80/55/17/568805517.db2.gz SGKPQNGWVLGUOH-FRFSOERESA-N 1 1 407.396 2.441 40 0 HEABMO CC(=O)N1CC[NH+]([C@H]2CCN(C(=O)c3oc4c(cccc4F)c3C)CC[C@@H]2O)CC1 ZINC000257314428 568808476 /nfs/dbraw/zinc/80/84/76/568808476.db2.gz UWXKKFLIHMXRIS-OALUTQOASA-N 1 1 417.481 2.010 40 0 HEABMO Cc1ccc(C[N@H+]2CC[C@]3(C2)Cn2c(nn(C4CCCC4)c(=O)c2=O)CO3)s1 ZINC000306123808 568886897 /nfs/dbraw/zinc/88/68/97/568886897.db2.gz AXMWTJWPWACBEZ-FQEVSTJZSA-N 1 1 402.520 2.065 40 0 HEABMO CC(C)n1cc(C[N@@H+]2C[C@H]3Cc4nnc(C(=O)NCc5ccccc5)n4C[C@@H]3C2)cn1 ZINC000306127276 568889919 /nfs/dbraw/zinc/88/99/19/568889919.db2.gz FTYWOYQVZZJNBH-UXHICEINSA-N 1 1 419.533 2.290 40 0 HEABMO CCOc1cc(C[N@@H+]2CCOC[C@]3(CC[C@@H](CN4CCCC4=O)O3)C2)ccc1O ZINC000306127476 568890297 /nfs/dbraw/zinc/89/02/97/568890297.db2.gz FZHPLYZTBLWHFM-AVRDEDQJSA-N 1 1 404.507 2.163 40 0 HEABMO CCOc1cc(C[N@H+]2CCOC[C@]3(CC[C@@H](CN4CCCC4=O)O3)C2)ccc1O ZINC000306127476 568890299 /nfs/dbraw/zinc/89/02/99/568890299.db2.gz FZHPLYZTBLWHFM-AVRDEDQJSA-N 1 1 404.507 2.163 40 0 HEABMO Cc1ccc(CNC(=O)[C@H]2C[N@H+](C)CC3(CCN(C(=O)c4ccco4)CC3)O2)cc1 ZINC000306131990 568894231 /nfs/dbraw/zinc/89/42/31/568894231.db2.gz KVAYWQWMTYCDBZ-HXUWFJFHSA-N 1 1 411.502 2.210 40 0 HEABMO Cc1ccc(CNC(=O)[C@H]2CN(C)CC3(CC[NH+](Cc4cccnc4)CC3)O2)cc1 ZINC000306142507 568904048 /nfs/dbraw/zinc/90/40/48/568904048.db2.gz XBDDGWADJYUSQO-JOCHJYFZSA-N 1 1 408.546 2.372 40 0 HEABMO CC[NH+]1CCN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000006325867 569330922 /nfs/dbraw/zinc/33/09/22/569330922.db2.gz GXPMABLHCVYLBK-UHFFFAOYSA-N 1 1 419.522 2.494 40 0 HEABMO O=c1c2c(ccn1CCC[NH+]1CCOCC1)nc1ncnn1c2-c1cccc(Cl)c1 ZINC000040397985 527456017 /nfs/dbraw/zinc/45/60/17/527456017.db2.gz SCIKNIAHIPUMBR-UHFFFAOYSA-N 1 1 424.892 2.482 40 0 HEABMO CCCn1c(=O)c2c(nc3n2CC(C)=[NH+]N3Cc2cccc(Cl)c2)n(C)c1=O ZINC000010329814 557270143 /nfs/dbraw/zinc/27/01/43/557270143.db2.gz JHDPFMKQJHQBDI-UHFFFAOYSA-N 1 1 400.870 2.356 40 0 HEABMO C[NH+]1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4ccccc4c3)C2)CC1 ZINC000408556770 557453334 /nfs/dbraw/zinc/45/33/34/557453334.db2.gz JRUFXXLBZWAWNM-LJQANCHMSA-N 1 1 401.532 2.015 40 0 HEABMO C[N@@H+]1CCN(C(=O)Cn2cc(NC(=O)c3ccccn3)cn2)[C@H](c2ccccc2)C1 ZINC000019749465 558268812 /nfs/dbraw/zinc/26/88/12/558268812.db2.gz IYWTUSYCCAIJOG-FQEVSTJZSA-N 1 1 404.474 2.046 40 0 HEABMO C[N@H+]1CCN(C(=O)Cn2cc(NC(=O)c3ccccn3)cn2)[C@H](c2ccccc2)C1 ZINC000019749465 558268814 /nfs/dbraw/zinc/26/88/14/558268814.db2.gz IYWTUSYCCAIJOG-FQEVSTJZSA-N 1 1 404.474 2.046 40 0 HEABMO C[N@@H+]1CCN(C(=O)c2ccc(=O)n(CC(=O)NC3CCCC3)c2)[C@H](c2ccccc2)C1 ZINC000019751219 558271309 /nfs/dbraw/zinc/27/13/09/558271309.db2.gz NYBXTRFPWHUZMF-NRFANRHFSA-N 1 1 422.529 2.036 40 0 HEABMO C[N@H+]1CCN(C(=O)c2ccc(=O)n(CC(=O)NC3CCCC3)c2)[C@H](c2ccccc2)C1 ZINC000019751219 558271311 /nfs/dbraw/zinc/27/13/11/558271311.db2.gz NYBXTRFPWHUZMF-NRFANRHFSA-N 1 1 422.529 2.036 40 0 HEABMO CC(C)OCC(=O)N1CC[C@@H](c2cc(C(=O)N3CC[NH+](C)CC3)c3ccccc3n2)C1 ZINC000019760933 558276351 /nfs/dbraw/zinc/27/63/51/558276351.db2.gz GVRRPVSVCPXNER-GOSISDBHSA-N 1 1 424.545 2.363 40 0 HEABMO CCc1ncc(C[NH+]2CCC3(CC2)CN(C(=O)c2cccs2)NC(=O)O3)cn1 ZINC000012276710 558364417 /nfs/dbraw/zinc/36/44/17/558364417.db2.gz GXYSOAZIMFCISL-UHFFFAOYSA-N 1 1 401.492 2.232 40 0 HEABMO Cc1[nH]c2c(ccc(C)c2C)c1CC(=O)N(CC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000012360883 558387046 /nfs/dbraw/zinc/38/70/46/558387046.db2.gz VCQYNRSZGUQGKU-QGZVFWFLSA-N 1 1 405.564 2.213 40 0 HEABMO CC(C)[C@H]1C[N@H+](Cc2ccco2)CCN1Cc1nnnn1Cc1ccc2c(c1)OCO2 ZINC000022914328 558521085 /nfs/dbraw/zinc/52/10/85/558521085.db2.gz VAMKKIPVXYEJSM-LJQANCHMSA-N 1 1 424.505 2.386 40 0 HEABMO CC(C)[C@H]1C[N@@H+](Cc2ccco2)CCN1Cc1nnnn1Cc1ccc2c(c1)OCO2 ZINC000022914328 558521087 /nfs/dbraw/zinc/52/10/87/558521087.db2.gz VAMKKIPVXYEJSM-LJQANCHMSA-N 1 1 424.505 2.386 40 0 HEABMO CC[NH+]1CCN(C(=O)c2nnc3c(-c4ccc(F)cc4)c(COC)nn3c2C)CC1 ZINC000039963934 558822910 /nfs/dbraw/zinc/82/29/10/558822910.db2.gz JGGSVICBYJDHPK-UHFFFAOYSA-N 1 1 412.469 2.163 40 0 HEABMO Cc1[nH+]ccn1C[C@@H](C)C(=O)N1CCC(C(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000019287667 558861007 /nfs/dbraw/zinc/86/10/07/558861007.db2.gz UXUOBXFWQJXQGD-CQSZACIVSA-N 1 1 410.474 2.280 40 0 HEABMO CC[NH+]1CCN(C2CCN(C(=O)CCc3nc(-c4cccs4)no3)CC2)CC1 ZINC000019528127 558909285 /nfs/dbraw/zinc/90/92/85/558909285.db2.gz IYXDUNYEZZMONK-UHFFFAOYSA-N 1 1 403.552 2.359 40 0 HEABMO COc1ccc(C[N@H+]2CCC[C@@H](c3nc4c(c(=O)[nH]3)CN(C(=O)C3CC3)CC4)C2)cc1 ZINC000019555207 558918326 /nfs/dbraw/zinc/91/83/26/558918326.db2.gz MHHUIOSUSOPUIY-GOSISDBHSA-N 1 1 422.529 2.453 40 0 HEABMO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccnc4ccccc24)C3)C[C@@H](C)O1 ZINC000072335593 558936761 /nfs/dbraw/zinc/93/67/61/558936761.db2.gz HBJHIZSBWNMCFB-HZPDHXFCSA-N 1 1 405.502 2.490 40 0 HEABMO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccnc4ccccc24)C3)C[C@@H](C)O1 ZINC000072335593 558936763 /nfs/dbraw/zinc/93/67/63/558936763.db2.gz HBJHIZSBWNMCFB-HZPDHXFCSA-N 1 1 405.502 2.490 40 0 HEABMO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccc4nccnc4c2)C3)C[C@@H](C)O1 ZINC000072347313 558944260 /nfs/dbraw/zinc/94/42/60/558944260.db2.gz NJBMACVVIPFHMH-HUUCEWRRSA-N 1 1 406.490 2.297 40 0 HEABMO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccc4nccnc4c2)C3)C[C@@H](C)O1 ZINC000072347313 558944261 /nfs/dbraw/zinc/94/42/61/558944261.db2.gz NJBMACVVIPFHMH-HUUCEWRRSA-N 1 1 406.490 2.297 40 0 HEABMO COc1cccc(OC)c1C(=O)N1CCN(C(=O)[C@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000019656002 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ZINC000096242257 559103830 /nfs/dbraw/zinc/10/38/30/559103830.db2.gz IJSUVVSGLOXYJD-SFHVURJKSA-N 1 1 419.591 2.021 40 0 HEABMO CCS(=O)(=O)N1CCC2(C[C@@H](CC(=O)N3CC[NH+](C)CC3)c3ccccc32)CC1 ZINC000096242258 559103846 /nfs/dbraw/zinc/10/38/46/559103846.db2.gz IJSUVVSGLOXYJD-GOSISDBHSA-N 1 1 419.591 2.021 40 0 HEABMO COCCOc1cc(C[N@@H+](C)C[C@@]2(O)CCN(c3ccc(F)cn3)C2)ccc1OC ZINC000585269617 559115597 /nfs/dbraw/zinc/11/55/97/559115597.db2.gz BZZZAOMPBFNOFM-QFIPXVFZSA-N 1 1 419.497 2.328 40 0 HEABMO CCOC(=O)N1CCC([N@H+]2CCOC[C@@](O)(COc3ccc(F)c(F)c3)C2)CC1 ZINC000585282497 559120013 /nfs/dbraw/zinc/12/00/13/559120013.db2.gz LCRNGHXDVZJCPT-HXUWFJFHSA-N 1 1 414.449 2.028 40 0 HEABMO COCC(=O)N1CC[N@H+](C2CCCCCC2)C[C@@](O)(COc2cccc(F)c2)C1 ZINC000585282664 559120194 /nfs/dbraw/zinc/12/01/94/559120194.db2.gz MLPUECVHXCEJKC-QFIPXVFZSA-N 1 1 408.514 2.449 40 0 HEABMO Cc1cc(=O)n2c(n1)NC(N1CCN(c3ccccn3)CC1)=[NH+][C@@H]2c1ccccc1 ZINC000009289459 560757856 /nfs/dbraw/zinc/75/78/56/560757856.db2.gz VBCWQBHZCLTNRW-FQEVSTJZSA-N 1 1 401.474 2.097 40 0 HEABMO CS(=O)(=O)N(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1F ZINC000220083871 568502155 /nfs/dbraw/zinc/50/21/55/568502155.db2.gz FCFKMJJIMCGCKH-UHFFFAOYSA-N 1 1 423.485 2.075 40 0 HEABMO C[C@@H](C(=O)NCCC[N@H+]1CCC[C@@H](C)C1)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000224797929 568597131 /nfs/dbraw/zinc/59/71/31/568597131.db2.gz AAAQDQHDVUSGHM-CABCVRRESA-N 1 1 417.522 2.358 40 0 HEABMO CN([C@@H](C(=O)NCCC[N@H+]1CCc2ccccc2C1)c1ccccc1)S(C)(=O)=O ZINC000225764644 568672358 /nfs/dbraw/zinc/67/23/58/568672358.db2.gz JWDVTAHULBMFGW-OAQYLSRUSA-N 1 1 415.559 2.184 40 0 HEABMO COc1cc2c(cc1C[N@H+]1CCC[C@@H](c3n[nH]cc3C(=O)N(C)C)C1)OCCO2 ZINC000257215466 568780553 /nfs/dbraw/zinc/78/05/53/568780553.db2.gz CQFNVJQLMQHWPW-CQSZACIVSA-N 1 1 400.479 2.271 40 0 HEABMO CC(=O)N[C@]12C[N@H+](C)[C@H](c3ccccc3)[C@H]1CCN(CC(=O)NC1CCCCC1)C2 ZINC000257254640 568791535 /nfs/dbraw/zinc/79/15/35/568791535.db2.gz KEBLKTNNDKREMY-JRFVFWCSSA-N 1 1 412.578 2.319 40 0 HEABMO Cc1cc(OC(C)(C)C(=O)N2CC[C@H](O)[C@@H]([NH+]3CCOCC3)CC2)ccc1Cl ZINC000257264314 568794093 /nfs/dbraw/zinc/79/40/93/568794093.db2.gz LTWFYXOZEKMBPX-OALUTQOASA-N 1 1 410.942 2.490 40 0 HEABMO O=C(N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1[N@@H+]1CCc2ccccc2C1)c1cnco1 ZINC000257298358 568803905 /nfs/dbraw/zinc/80/39/05/568803905.db2.gz RLIXRZPMXLVVQE-SCPDWHHUSA-N 1 1 419.481 2.412 40 0 HEABMO O=C(N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1[N@H+]1CCc2ccccc2C1)c1cnco1 ZINC000257298358 568803908 /nfs/dbraw/zinc/80/39/08/568803908.db2.gz RLIXRZPMXLVVQE-SCPDWHHUSA-N 1 1 419.481 2.412 40 0 HEABMO CN(C(=O)CCCc1nc2cc(Cl)ccc2[nH]1)[C@@H]1CC[C@@H]([NH+]2CCOCC2)[C@@H]1O ZINC000257319556 568810279 /nfs/dbraw/zinc/81/02/79/568810279.db2.gz VTABSIPGMCMNQM-DBXWQHBBSA-N 1 1 420.941 2.222 40 0 HEABMO CC(=O)N1CC[NH+]([C@@H]2CCC[C@@H](NC(=O)c3oc4ccc(F)cc4c3C)[C@H]2O)CC1 ZINC000257335564 568814923 /nfs/dbraw/zinc/81/49/23/568814923.db2.gz YKSNSQUIPLHLLA-QWFCFKBJSA-N 1 1 417.481 2.056 40 0 HEABMO O=C1N(Cc2cccnc2)CCO[C@]12C[N@@H+](Cc1ccccn1)C[C@@H]2c1cccnc1 ZINC000306123272 568886476 /nfs/dbraw/zinc/88/64/76/568886476.db2.gz AIVPHBAWXUAIHW-VWNXMTODSA-N 1 1 415.497 2.269 40 0 HEABMO CC(C)N1CC2(CC[NH+](Cc3cnn(C)c3)CC2)COc2ccccc2S1(=O)=O ZINC000306124137 568887069 /nfs/dbraw/zinc/88/70/69/568887069.db2.gz BHEFLFGCYSUUEY-UHFFFAOYSA-N 1 1 418.563 2.494 40 0 HEABMO O=c1c(=O)n(Cc2ccc(F)cc2)nc2n1C[C@]1(CC[N@@H+](Cc3ccsc3)C1)C2 ZINC000306125014 568887883 /nfs/dbraw/zinc/88/78/83/568887883.db2.gz CEOSVTGCFICQFK-OAQYLSRUSA-N 1 1 412.490 2.102 40 0 HEABMO Cc1cccc(C[N@@H+]2C[C@@H]3Cc4nnc(C(=O)NCc5ccccc5)n4C[C@@H]3C2)n1 ZINC000306127357 568890260 /nfs/dbraw/zinc/89/02/60/568890260.db2.gz FWRSIHHKEGEYJR-OALUTQOASA-N 1 1 402.502 2.216 40 0 HEABMO O=C(NCC1CC1)[C@]12CN(c3ncccn3)C[C@@H]1C[N@@H+](Cc1ccccn1)CCC2 ZINC000306135603 568897495 /nfs/dbraw/zinc/89/74/95/568897495.db2.gz OVOJKVJXPMIZTI-WMZHIEFXSA-N 1 1 406.534 2.116 40 0 HEABMO COc1cccc(C[NH+]2CCN(c3nccn4c(-c5cnn(C)c5)cnc34)CC2)c1 ZINC000306136278 568898205 /nfs/dbraw/zinc/89/82/05/568898205.db2.gz POMUTJOVPSVMHS-UHFFFAOYSA-N 1 1 403.490 2.461 40 0 HEABMO CC(C)[NH+]1CCN(C(=O)c2nc([C@H]3CCCN3C(=O)N(C)C)n3ccccc23)CC1 ZINC000306139477 568901375 /nfs/dbraw/zinc/90/13/75/568901375.db2.gz SYFMIBARDZJSMF-GOSISDBHSA-N 1 1 412.538 2.319 40 0 HEABMO O=C1N(Cc2cccnc2)CCO[C@]12C[N@@H+](Cc1ccco1)C[C@H]2c1cccnc1 ZINC000306142992 568904727 /nfs/dbraw/zinc/90/47/27/568904727.db2.gz XQBGGIKSYJMMEF-GMAHTHKFSA-N 1 1 404.470 2.467 40 0 HEABMO CC[NH+]1CCN(C(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)CC1 ZINC000006325891 569330926 /nfs/dbraw/zinc/33/09/26/569330926.db2.gz ZGFDWUFVRXMYGH-UHFFFAOYSA-N 1 1 405.495 2.185 40 0 HEABMO CCCO[C@H]1CCC[N@@H+](CC(=O)N2CC[C@@H](c3cc(=O)n4c(n3)CCCCC4)C2)C1 ZINC000019503781 569345638 /nfs/dbraw/zinc/34/56/38/569345638.db2.gz UMUHEGOBNPTIDY-MOPGFXCFSA-N 1 1 416.566 2.177 40 0 HEABMO CC(=O)N1CCC(c2cc(C[NH+](C)C)n(CCNC(=O)[C@@H]3CC=CCC3)n2)CC1 ZINC000019709133 569348107 /nfs/dbraw/zinc/34/81/07/569348107.db2.gz IUYYGAWAXATRBD-LJQANCHMSA-N 1 1 401.555 2.143 40 0 HEABMO COc1ccccc1C(=O)N1CCN2[C@@H](C1)C[N@@H+](Cc1ccccc1)C[C@@]2(C)CO ZINC000253399750 291209706 /nfs/dbraw/zinc/20/97/06/291209706.db2.gz JWTMAURAQMLPGZ-YKSBVNFPSA-N 1 1 409.530 2.088 40 0 biogenic,in-vitro HEABMO CCOC(=O)N1CCN(c2nc(N(C)C)nc3c2CC[N@H+](Cc2ccccc2)C3)CC1 ZINC000012142764 132354755 /nfs/dbraw/zinc/35/47/55/132354755.db2.gz PZYUUAYEWPBKEA-UHFFFAOYSA-N 1 1 424.549 2.379 40 0 HEABMO CCOC(=O)N1CCN(c2nc(N(C)C)nc3c2CC[N@@H+](Cc2ccccc2)C3)CC1 ZINC000012142764 132354756 /nfs/dbraw/zinc/35/47/56/132354756.db2.gz PZYUUAYEWPBKEA-UHFFFAOYSA-N 1 1 424.549 2.379 40 0 HEABMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccccc1C ZINC000408709032 557737100 /nfs/dbraw/zinc/73/71/00/557737100.db2.gz OHZBLNQBXRBQOL-IBGZPJMESA-N 1 1 422.529 2.464 40 0 HEABMO COCCN1[NH+]=C(C)[C@H](C)n2c1nc1c2c(=O)n(C/C=C/c2ccccc2)c(=O)n1C ZINC000010047697 557854578 /nfs/dbraw/zinc/85/45/78/557854578.db2.gz SCWAZFATAPBDNA-KXKDPZRNSA-N 1 1 422.489 2.013 40 0 HEABMO CC(C)c1[nH+]ccn1CC(=O)N1CCO[C@@H](c2cc(C(N)=O)c3ccccc3n2)C1 ZINC000019762125 558276909 /nfs/dbraw/zinc/27/69/09/558276909.db2.gz GSDAMRKXOHBIOV-LJQANCHMSA-N 1 1 407.474 2.254 40 0 HEABMO CNC(=O)[C@@H]1C[N@@H+](Cc2ccc(C)cc2OC)C[C@H]1c1ccnc(N2CCCC2)n1 ZINC000019134131 558845979 /nfs/dbraw/zinc/84/59/79/558845979.db2.gz FXPKLDINUUEWKB-RTBURBONSA-N 1 1 409.534 2.355 40 0 HEABMO C[C@@H]1CCC[N@@H+](CCCNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000049761087 558850933 /nfs/dbraw/zinc/85/09/33/558850933.db2.gz PCOOBYJTYFWJEU-OAHLLOKOSA-N 1 1 401.960 2.199 40 0 HEABMO CC(C)[N@H+]1CCc2nc([C@H]3CCCCN3C(=O)c3ccnc(N(C)C)c3)[nH]c(=O)c2C1 ZINC000019448186 558887138 /nfs/dbraw/zinc/88/71/38/558887138.db2.gz YFDAOBSDRCOAHE-LJQANCHMSA-N 1 1 424.549 2.365 40 0 HEABMO CC(C)NC(=O)[C@@H]1C[C@@H](C2CCN(S(=O)(=O)c3cccc(F)c3)CC2)[N@@H+](C)C1 ZINC000019449774 558888416 /nfs/dbraw/zinc/88/84/16/558888416.db2.gz LLHCUDZYNQBIEJ-APWZRJJASA-N 1 1 411.543 2.071 40 0 HEABMO C[C@@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccncc1)C2 ZINC000019463389 558894356 /nfs/dbraw/zinc/89/43/56/558894356.db2.gz GQEJABFVPSXWEN-MOXGXCLJSA-N 1 1 407.518 2.433 40 0 HEABMO C[C@@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1ccncc1)C2 ZINC000019463389 558894357 /nfs/dbraw/zinc/89/43/57/558894357.db2.gz GQEJABFVPSXWEN-MOXGXCLJSA-N 1 1 407.518 2.433 40 0 HEABMO CCc1ncc(C[N@H+]2C[C@H](C(=O)NC(C)C)[C@@H](c3ccnc(N4CCCC4)n3)C2)cn1 ZINC000019523456 558904612 /nfs/dbraw/zinc/90/46/12/558904612.db2.gz VQNHQDANAXSDKT-OALUTQOASA-N 1 1 423.565 2.169 40 0 HEABMO COc1ccccc1C[N@H+]1CCc2nc([C@H]3CCN(C(=O)C4CC4)C3)[nH]c(=O)c2C1 ZINC000019570569 558929473 /nfs/dbraw/zinc/92/94/73/558929473.db2.gz NJJWZDDZOBYLGF-KRWDZBQOSA-N 1 1 408.502 2.475 40 0 HEABMO C[N@H+]1CCc2nc([C@@H]3CCCN(C(=O)COc4ccccc4F)C3)[nH]c(=O)c2C1 ZINC000019590247 558940953 /nfs/dbraw/zinc/94/09/53/558940953.db2.gz MGZMAEHKRGKWEB-CQSZACIVSA-N 1 1 400.454 2.094 40 0 HEABMO C[C@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2cccc4cccnc42)C3)C[C@H](C)O1 ZINC000072347175 558943805 /nfs/dbraw/zinc/94/38/05/558943805.db2.gz PGJUTWVFDYSYAC-HOTGVXAUSA-N 1 1 405.502 2.490 40 0 HEABMO C[C@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2cccc4cccnc42)C3)C[C@H](C)O1 ZINC000072347175 558943811 /nfs/dbraw/zinc/94/38/11/558943811.db2.gz PGJUTWVFDYSYAC-HOTGVXAUSA-N 1 1 405.502 2.490 40 0 HEABMO CC(=O)Nc1ccc(C[N@H+]2CCc3c(nc(N4C[C@H](C)O[C@@H](C)C4)[nH]c3=O)C2)cc1 ZINC000072347267 558944114 /nfs/dbraw/zinc/94/41/14/558944114.db2.gz FNYKUOLKYZUBGW-GJZGRUSLSA-N 1 1 411.506 2.313 40 0 HEABMO CC(=O)Nc1ccc(C[N@@H+]2CCc3c(nc(N4C[C@H](C)O[C@@H](C)C4)[nH]c3=O)C2)cc1 ZINC000072347267 558944116 /nfs/dbraw/zinc/94/41/16/558944116.db2.gz FNYKUOLKYZUBGW-GJZGRUSLSA-N 1 1 411.506 2.313 40 0 HEABMO CC(=O)Nc1cccc(-c2nccnc2[C@H]2CCC[N@@H+](CC(=O)N3CCOCC3)C2)c1 ZINC000072358540 558954135 /nfs/dbraw/zinc/95/41/35/558954135.db2.gz IYDFEIDVUDECHK-IBGZPJMESA-N 1 1 423.517 2.140 40 0 HEABMO COC[C@@H](C)NC(=O)C[NH+]1CCC(c2ccc(-c3cccc(C(N)=O)c3)cn2)CC1 ZINC000019688015 558957526 /nfs/dbraw/zinc/95/75/26/558957526.db2.gz SBRLQNJDPBQKJM-MRXNPFEDSA-N 1 1 410.518 2.178 40 0 HEABMO CCCO[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)C1 ZINC000072373110 558960810 /nfs/dbraw/zinc/96/08/10/558960810.db2.gz QLUOKWVKBBPIPS-RBUKOAKNSA-N 1 1 416.566 2.177 40 0 HEABMO C[N@H+]1CCc2nc(C3CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)[nH]c(=O)c2C1 ZINC000072398680 558976396 /nfs/dbraw/zinc/97/63/96/558976396.db2.gz FUKJVWQUSXILIK-UHFFFAOYSA-N 1 1 405.502 2.188 40 0 HEABMO Cc1[nH+]ccn1CCC1CCN(C(=O)C[C@@H]2NC(=O)N(C3CCCCC3)C2=O)CC1 ZINC000019717688 558980460 /nfs/dbraw/zinc/98/04/60/558980460.db2.gz JFVMPCHJQVMTCO-IBGZPJMESA-N 1 1 415.538 2.463 40 0 HEABMO [NH3+]C[C@H]1CC[C@H](C(=O)N2CCC[C@@H](C3=Nc4ccccc4S(=O)(=O)N3)C2)CC1 ZINC000257205653 558989005 /nfs/dbraw/zinc/98/90/05/558989005.db2.gz BAAFRJROPJVASZ-BZUAXINKSA-N 1 1 404.536 2.012 40 0 HEABMO COc1cc(OC)cc(C(=O)N2CCC3(CO[C@@H](C[NH+]4CCOCC4)C3)CC2)c1 ZINC000585103166 559026495 /nfs/dbraw/zinc/02/64/95/559026495.db2.gz FBAHCNKDJJBPAN-HXUWFJFHSA-N 1 1 404.507 2.047 40 0 HEABMO CC[C@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc3c(c2)CCO3)CC1 ZINC000585106122 559028417 /nfs/dbraw/zinc/02/84/17/559028417.db2.gz ODVDRKMPVZFQSP-DBVUQKKJSA-N 1 1 411.546 2.320 40 0 HEABMO O=C1NC2(CCN(S(=O)(=O)c3ccccc3)CC2)[C@H]2C[N@@H+](CC3CCCC3)C[C@@H]12 ZINC000585106201 559028579 /nfs/dbraw/zinc/02/85/79/559028579.db2.gz CDEIMCZMNFPTNT-UXHICEINSA-N 1 1 417.575 2.078 40 0 HEABMO O=C(c1cccs1)N1CCC2(C[N@@H+](Cc3cccnc3)C[C@]23CCNC3=O)CC1 ZINC000096036347 559090047 /nfs/dbraw/zinc/09/00/47/559090047.db2.gz LODBFLJMFLJBJX-QFIPXVFZSA-N 1 1 410.543 2.388 40 0 HEABMO COc1cccc(C[N@H+]2CCC[C@]3(CCN(S(=O)(=O)c4cn(C)cn4)C3)C2)c1 ZINC000096215607 559101700 /nfs/dbraw/zinc/10/17/00/559101700.db2.gz OJOYOAGEZLFRMT-FQEVSTJZSA-N 1 1 404.536 2.106 40 0 HEABMO CN1CCN(C(=O)c2ccc3nnc([C@@H]4CC[N@@H+](Cc5ccccc5)C4)n3c2)CC1 ZINC000096267514 559108257 /nfs/dbraw/zinc/10/82/57/559108257.db2.gz MYQXGJCJMAXCNO-LJQANCHMSA-N 1 1 404.518 2.106 40 0 HEABMO COCC(=O)N1CC[N@H+](C2CCCCC2)C[C@@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585284134 559120007 /nfs/dbraw/zinc/12/00/07/559120007.db2.gz VDVDHLAKKFALJW-NRFANRHFSA-N 1 1 412.477 2.198 40 0 HEABMO O=S(=O)(c1cncc(Br)c1OCc1ccccc1)N1CC[NH2+]CC1 ZINC000072210907 559168067 /nfs/dbraw/zinc/16/80/67/559168067.db2.gz ZWPQEARSEOFLEF-UHFFFAOYSA-N 1 1 412.309 2.017 40 0 HEABMO COc1ccc2[nH]cc(CCn3ccc4nc(N5CC[NH+](C)CC5)ncc4c3=O)c2c1 ZINC000009290414 560757970 /nfs/dbraw/zinc/75/79/70/560757970.db2.gz PACCTYGKVFJXRF-UHFFFAOYSA-N 1 1 418.501 2.276 40 0 HEABMO COc1ccc(CCn2nnnc2[C@@H](CC(C)C)N2CC[NH+](C)CC2)cc1OC ZINC000019446868 560873021 /nfs/dbraw/zinc/87/30/21/560873021.db2.gz ATBBXOSTWCOGLP-GOSISDBHSA-N 1 1 402.543 2.268 40 0 HEABMO COc1ccc([C@H](c2nnnn2Cc2ccccc2)N2CC[NH+](C)CC2)c(OC)c1 ZINC000019589895 560874309 /nfs/dbraw/zinc/87/43/09/560874309.db2.gz IORHWEGBCKFXQF-OAQYLSRUSA-N 1 1 408.506 2.075 40 0 HEABMO Cc1ccc2cc([C@@H](c3nnnn3C3CCCC3)N3CC[NH+](C)CC3)c(=O)[nH]c2c1 ZINC000019940558 560877223 /nfs/dbraw/zinc/87/72/23/560877223.db2.gz PYSYLSJNXLAYRQ-FQEVSTJZSA-N 1 1 407.522 2.275 40 0 HEABMO Cc1cc(OC[C@@H](O)CN2CC[NH+](C[C@H](O)COC(C)C)CC2)cc(C)c1Cl ZINC000019366816 560885521 /nfs/dbraw/zinc/88/55/21/560885521.db2.gz XHDFSXYOJBVTGO-OALUTQOASA-N 1 1 414.974 2.100 40 0 HEABMO CC[NH+]1CCN(C(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)CC1 ZINC000023410367 568509797 /nfs/dbraw/zinc/50/97/97/568509797.db2.gz BSOVAGVWELPAFF-UHFFFAOYSA-N 1 1 401.532 2.354 40 0 HEABMO COc1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@]2(c4ccccc4NC2=O)[N@@H+]2CCC[C@@H]32)c1 ZINC000033821726 568521648 /nfs/dbraw/zinc/52/16/48/568521648.db2.gz GMNXXRIOIFEQEK-KEXUJGGDSA-N 1 1 403.438 2.126 40 0 HEABMO CS(=O)(=O)N(CC(=O)NCCC[N@H+]1CCc2ccccc2C1)Cc1ccccc1 ZINC000222816037 568527167 /nfs/dbraw/zinc/52/71/67/568527167.db2.gz NEUCUWJNUUVVDA-UHFFFAOYSA-N 1 1 415.559 2.013 40 0 HEABMO O=C1Nc2ccc(F)cc2[C@@]12[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]1[C@@H]1CCC[N@@H+]12 ZINC000020478052 568612855 /nfs/dbraw/zinc/61/28/55/568612855.db2.gz CGMVJJVYKAKVQY-VDNWNZSNSA-N 1 1 409.392 2.396 40 0 HEABMO O=C1Nc2ccc(F)cc2[C@@]12[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]1[C@@H]1CCC[N@H+]12 ZINC000020478052 568612857 /nfs/dbraw/zinc/61/28/57/568612857.db2.gz CGMVJJVYKAKVQY-VDNWNZSNSA-N 1 1 409.392 2.396 40 0 HEABMO CC[C@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000225086628 568613281 /nfs/dbraw/zinc/61/32/81/568613281.db2.gz HFEPVXAJTUEBOJ-INIZCTEOSA-N 1 1 407.536 2.273 40 0 HEABMO CN(c1ccc(CC(=O)N2CC[NH+](C)CC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000225988047 568690283 /nfs/dbraw/zinc/69/02/83/568690283.db2.gz HAJXKIFFBZQOKI-UHFFFAOYSA-N 1 1 421.950 2.482 40 0 HEABMO COc1ccc(CCNC(=O)[C@H]2C[N@@H+](C)C[C@H]2c2ccc(CNC(C)=O)cc2)cc1 ZINC000257261024 568793106 /nfs/dbraw/zinc/79/31/06/568793106.db2.gz LFLMWHWCPKWNEF-GOTSBHOMSA-N 1 1 409.530 2.335 40 0 HEABMO Cn1c2ccc(NC(=O)C[N@@H+]3C[C@H]4[C@@H](C3)CCC[C@@H]4Cc3cncnc3)cc2oc1=O ZINC000257274747 568796905 /nfs/dbraw/zinc/79/69/05/568796905.db2.gz NMLILIYYJASXAK-ZHALLVOQSA-N 1 1 421.501 2.451 40 0 HEABMO CC(C)(C)c1ccc(C[N@H+]2CC[C@H](O)[C@@H](n3ccnc3)CC2)c(OCC(N)=O)c1 ZINC000257340187 568816172 /nfs/dbraw/zinc/81/61/72/568816172.db2.gz ZEYTYMXBJUJZJK-OALUTQOASA-N 1 1 400.523 2.243 40 0 HEABMO Cc1ccsc1C[N@H+]1CC[C@]2(CCn3c2nn(Cc2cccs2)c(=O)c3=O)C1 ZINC000306124744 568887636 /nfs/dbraw/zinc/88/76/36/568887636.db2.gz BYBPZJCCZGYAKZ-FQEVSTJZSA-N 1 1 414.556 2.432 40 0 HEABMO COc1ccc(C[NH+]2CCN(c3nccn4c(-c5cnn(C)c5)cnc34)CC2)cc1 ZINC000306133428 568895336 /nfs/dbraw/zinc/89/53/36/568895336.db2.gz MKXZQMZLSXZTQM-UHFFFAOYSA-N 1 1 403.490 2.461 40 0 HEABMO COc1cccc(C[N@H+]2CC[C@@]3(CCn4c3nn(Cc3cccs3)c(=O)c4=O)C2)c1 ZINC000306136861 568898795 /nfs/dbraw/zinc/89/87/95/568898795.db2.gz QFFQAUZELUTHQM-JOCHJYFZSA-N 1 1 424.526 2.071 40 0 HEABMO O=C1N(Cc2ccncc2)CCO[C@@]12C[N@@H+](Cc1cccnc1)C[C@@H]2c1cccnc1 ZINC000306138945 568900792 /nfs/dbraw/zinc/90/07/92/568900792.db2.gz SLIWMGSEEOHSOD-ISKFKSNPSA-N 1 1 415.497 2.269 40 0 HEABMO C[N@@H+]1CCN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)[C@H](c2ccccc2)C1 ZINC000247965634 569315927 /nfs/dbraw/zinc/31/59/27/569315927.db2.gz HXVKSZUKOLCVNJ-ICSRJNTNSA-N 1 1 421.497 2.326 40 0 HEABMO C[N@H+]1CCN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)[C@H](c2ccccc2)C1 ZINC000247965634 569315929 /nfs/dbraw/zinc/31/59/29/569315929.db2.gz HXVKSZUKOLCVNJ-ICSRJNTNSA-N 1 1 421.497 2.326 40 0 HEABMO CC[NH+]1CCN(C(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000006953355 569335589 /nfs/dbraw/zinc/33/55/89/569335589.db2.gz NPIVPYHKVKMDTJ-UHFFFAOYSA-N 1 1 419.522 2.494 40 0 HEABMO C[C@H]1CCC[N@@H+](CCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)C1 ZINC000047110813 569352174 /nfs/dbraw/zinc/35/21/74/569352174.db2.gz LYOBYWQBNPDLNC-RBUKOAKNSA-N 1 1 407.580 2.326 40 0 HEABMO CCNC(=O)NC[C@H]1O[C@H](Cc2cc(C[N@H+](C)Cc3ccccc3)on2)CC[C@@H]1O ZINC000096268984 291204245 /nfs/dbraw/zinc/20/42/45/291204245.db2.gz QHMWPJIUIBKBLC-SESVDKBCSA-N 1 1 416.522 2.077 40 0 biogenic,in-vitro HEABMO CCNC(=O)NC[C@H]1O[C@H](Cc2cc(C[N@@H+](C)Cc3ccccc3)on2)CC[C@@H]1O ZINC000096268984 291204246 /nfs/dbraw/zinc/20/42/46/291204246.db2.gz QHMWPJIUIBKBLC-SESVDKBCSA-N 1 1 416.522 2.077 40 0 biogenic,in-vitro HEABMO COCCOc1ccnc(-c2noc([C@@H]3CCC[N@H+]3C3CCN(C(C)=O)CC3)n2)c1 ZINC000035425046 291206631 /nfs/dbraw/zinc/20/66/31/291206631.db2.gz BREHAEXTPKBYCG-IBGZPJMESA-N 1 1 415.494 2.305 40 0 biogenic,in-vitro HEABMO COc1ccccc1N1CC[NH+](CCc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)CC1 ZINC000004214134 132273116 /nfs/dbraw/zinc/27/31/16/132273116.db2.gz CSNKNIWBSXUJRO-UHFFFAOYSA-N 1 1 424.501 2.314 40 0 in-man HEABMO COc1cc(N)c(Cl)cc1C(=O)CCC1CC[NH+](CCNS(C)(=O)=O)CC1 ZINC000000600432 557018696 /nfs/dbraw/zinc/01/86/96/557018696.db2.gz UATDVRSFFGFTAI-UHFFFAOYSA-N 1 1 417.959 2.155 40 0 in-vitro HEABMO CCS(=O)(=O)N(C)c1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000408705279 557733364 /nfs/dbraw/zinc/73/33/64/557733364.db2.gz BCCBDAFKAAHYPK-UHFFFAOYSA-N 1 1 401.532 2.431 40 0 HEABMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000408709889 557738685 /nfs/dbraw/zinc/73/86/85/557738685.db2.gz ZAEXBMFLKJOHTE-GOSISDBHSA-N 1 1 408.502 2.156 40 0 HEABMO CNc1cc(CC2CCN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)CC2)[nH+]c(C)n1 ZINC000019758505 558274952 /nfs/dbraw/zinc/27/49/52/558274952.db2.gz OILVMTGCUVJPIA-UHFFFAOYSA-N 1 1 416.547 2.254 40 0 HEABMO CC(C)OCC(=O)N1CC[C@H](c2cc(C(=O)N3CC[NH+](C)CC3)c3ccccc3n2)C1 ZINC000019760936 558276387 /nfs/dbraw/zinc/27/63/87/558276387.db2.gz GVRRPVSVCPXNER-SFHVURJKSA-N 1 1 424.545 2.363 40 0 HEABMO C[C@@H]1CCc2c(sc3ncn(C4CC[NH+](CC(=O)NC5CC5)CC4)c(=O)c32)C1 ZINC000012145477 558336704 /nfs/dbraw/zinc/33/67/04/558336704.db2.gz OJQQBWCHRADTSI-CYBMUJFWSA-N 1 1 400.548 2.498 40 0 HEABMO CC[NH+]1CCN([C@@H](c2nnnn2C(C)C)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000020140505 558338932 /nfs/dbraw/zinc/33/89/32/558338932.db2.gz QFVRZODDNBKILE-GOSISDBHSA-N 1 1 404.515 2.007 40 0 HEABMO Cc1nc(-c2ccccc2)c(CC(=O)N(CC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)s1 ZINC000012360903 558387052 /nfs/dbraw/zinc/38/70/52/558387052.db2.gz FKYNBVHKELBJPO-QGZVFWFLSA-N 1 1 421.588 2.238 40 0 HEABMO CC[C@H](C[NH+]1CCN(C)CC1)NC(=O)Cc1c(C)nc(-c2ccccc2)nc1OC ZINC000022461622 558490877 /nfs/dbraw/zinc/49/08/77/558490877.db2.gz OAMBABBMLQOYSO-LJQANCHMSA-N 1 1 411.550 2.145 40 0 HEABMO CC[NH+]1CCN(C(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)CC1 ZINC000023423210 558557911 /nfs/dbraw/zinc/55/79/11/558557911.db2.gz PSBYQXYJKBSTAY-UHFFFAOYSA-N 1 1 415.559 2.084 40 0 HEABMO Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2nc3c(c(=O)[nH]2)CC[N@H+](C(C)C)C3)cc1 ZINC000019211448 558848501 /nfs/dbraw/zinc/84/85/01/558848501.db2.gz PPKIQMYAGPDXKE-IBGZPJMESA-N 1 1 416.547 2.371 40 0 HEABMO O=C(CCCN1C(=O)CCC1=O)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000019346468 558873563 /nfs/dbraw/zinc/87/35/63/558873563.db2.gz SDLBSRVBTZJUAQ-UHFFFAOYSA-N 1 1 414.893 2.466 40 0 HEABMO Cc1ccc(S(=O)(=O)NCCNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000057154789 558887760 /nfs/dbraw/zinc/88/77/60/558887760.db2.gz WWDOYWYLWNJGDC-HXUWFJFHSA-N 1 1 415.559 2.302 40 0 HEABMO CC(=O)NC1(c2ccc(F)cc2)CC[NH+](Cc2cnc(N3CCOCC3)nc2)CC1 ZINC000057822842 558890911 /nfs/dbraw/zinc/89/09/11/558890911.db2.gz QPFGZKBUZXLETL-UHFFFAOYSA-N 1 1 413.497 2.080 40 0 HEABMO C[C@H]1CCc2onc(C(=O)N3CCC[C@H](c4nc5c(c(=O)[nH]4)C[N@@H+](C)CC5)C3)c2C1 ZINC000019497118 558895942 /nfs/dbraw/zinc/89/59/42/558895942.db2.gz FFVKRDIZNWKYLF-KBPBESRZSA-N 1 1 411.506 2.303 40 0 HEABMO CCc1nc(N2CCN(C(=O)[C@@H](C)N3c4ccccc4O[C@H](C)C3=O)CC2)cc(C)[nH+]1 ZINC000019523121 558904115 /nfs/dbraw/zinc/90/41/15/558904115.db2.gz KQAAZZYVRODMKC-IAGOWNOFSA-N 1 1 423.517 2.199 40 0 HEABMO CCOCCCNC(=O)CN1CCC2(CC1)Nc1cc(Cl)ccc1C1=[NH+]CCN12 ZINC000072327114 558933831 /nfs/dbraw/zinc/93/38/31/558933831.db2.gz SXHMFPLJPXVMHE-UHFFFAOYSA-N 1 1 419.957 2.163 40 0 HEABMO CC(=O)Nc1ccc(C[N@H+]2CCc3c(nc(N4C[C@@H](C)O[C@H](C)C4)[nH]c3=O)C2)cc1 ZINC000072347268 558944136 /nfs/dbraw/zinc/94/41/36/558944136.db2.gz FNYKUOLKYZUBGW-HUUCEWRRSA-N 1 1 411.506 2.313 40 0 HEABMO CC(=O)Nc1ccc(C[N@@H+]2CCc3c(nc(N4C[C@@H](C)O[C@H](C)C4)[nH]c3=O)C2)cc1 ZINC000072347268 558944138 /nfs/dbraw/zinc/94/41/38/558944138.db2.gz FNYKUOLKYZUBGW-HUUCEWRRSA-N 1 1 411.506 2.313 40 0 HEABMO COc1ccccc1N1CCN(C(=O)C[N@H+]2CCC[C@@H](Cn3ccnc3C)C2)CC1 ZINC000019658087 558949902 /nfs/dbraw/zinc/94/99/02/558949902.db2.gz UBSBFCJJXQFEBN-HXUWFJFHSA-N 1 1 411.550 2.261 40 0 HEABMO CNc1nc([C@H]2CCC[N@@H+](C)C2)nc2c1CN(S(=O)(=O)c1ccccc1)CC2 ZINC000019710300 558972044 /nfs/dbraw/zinc/97/20/44/558972044.db2.gz YLFNODMAJUUHKF-HNNXBMFYSA-N 1 1 401.536 2.075 40 0 HEABMO O=C(C[N@H+]1CC[C@@]12CCCN(C(=O)c1ccnc(C(F)(F)F)c1)C2)N1CCCC1 ZINC000585102275 559025950 /nfs/dbraw/zinc/02/59/50/559025950.db2.gz VZTNUOIYFJEYGB-LJQANCHMSA-N 1 1 410.440 2.403 40 0 HEABMO O=C(C[N@@H+]1CC[C@@]12CCCN(C(=O)c1ccnc(C(F)(F)F)c1)C2)N1CCCC1 ZINC000585102275 559025952 /nfs/dbraw/zinc/02/59/52/559025952.db2.gz VZTNUOIYFJEYGB-LJQANCHMSA-N 1 1 410.440 2.403 40 0 HEABMO Cc1ccccc1S(=O)(=O)N1CCC2(CO[C@H](C[N@H+]3CCC[C@H](O)C3)C2)CC1 ZINC000585104238 559026844 /nfs/dbraw/zinc/02/68/44/559026844.db2.gz OPOZQYYXYAMFBD-OALUTQOASA-N 1 1 408.564 2.012 40 0 HEABMO O=C(NCC1CC1)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@@H+](Cc1cccnc1)CCC2 ZINC000096056150 559093944 /nfs/dbraw/zinc/09/39/44/559093944.db2.gz LZTFWMNOCHPQIH-REWPJTCUSA-N 1 1 406.534 2.116 40 0 HEABMO COCC[N@H+]1C[C@@H]2C(=O)N(C)C3(CCN(C(=O)Nc4ccccc4C)CC3)[C@@H]2C1 ZINC000096143543 559096040 /nfs/dbraw/zinc/09/60/40/559096040.db2.gz LGEZRPWTQUNEJD-ZWKOTPCHSA-N 1 1 400.523 2.028 40 0 HEABMO COCC[N@H+]1CC2(CCN(C(=O)c3ccc(Cl)cc3)CC2)[C@@]2(CCNC2=O)C1 ZINC000096144168 559096535 /nfs/dbraw/zinc/09/65/35/559096535.db2.gz YWQTZXFGNFCFMV-NRFANRHFSA-N 1 1 405.926 2.031 40 0 HEABMO C[N@H+]1CCCN(C(=O)c2nc(-c3cn(C[C@H]4CCCO4)cn3)n3ccccc23)CC1 ZINC000096155148 559099387 /nfs/dbraw/zinc/09/93/87/559099387.db2.gz BONVLNYLUJZEAF-QGZVFWFLSA-N 1 1 408.506 2.155 40 0 HEABMO COCCN(C)C(=O)c1ccc2ccc(N3CC[NH+](Cc4cccnc4)CC3)n2c1 ZINC000096155948 559100127 /nfs/dbraw/zinc/10/01/27/559100127.db2.gz GBVJPMBDFFEIHU-UHFFFAOYSA-N 1 1 407.518 2.375 40 0 HEABMO CN1CC[N@@H+](Cc2ccccc2)C[C@@H]1c1nnc2ccc(C(=O)N3CCCC3)cn21 ZINC000096156629 559100548 /nfs/dbraw/zinc/10/05/48/559100548.db2.gz YKCYLQGNZHABIU-HXUWFJFHSA-N 1 1 404.518 2.454 40 0 HEABMO Cn1ccnc1COc1ccc(C[N@@H+](C)C[C@@]2(O)CCCN(c3cnccn3)C2)cc1 ZINC000585269901 559116126 /nfs/dbraw/zinc/11/61/26/559116126.db2.gz PKISHXGRBJBXDW-QHCPKHFHSA-N 1 1 422.533 2.252 40 0 HEABMO COCC(=O)N1CC[N@H+](C2CCCCCC2)C[C@](O)(COc2cccc(F)c2)C1 ZINC000585282662 559120203 /nfs/dbraw/zinc/12/02/03/559120203.db2.gz MLPUECVHXCEJKC-JOCHJYFZSA-N 1 1 408.514 2.449 40 0 HEABMO CCOC(=O)N1CCC([N@H+]2CC[C@H](O)[C@@](O)(COc3cc(C)cc(C)c3)C2)CC1 ZINC000585288121 559123335 /nfs/dbraw/zinc/12/33/35/559123335.db2.gz WTZLVMTVGOGXBI-UNMCSNQZSA-N 1 1 406.523 2.101 40 0 HEABMO Cc1cccc(C(=O)N2CCC3(C[N@@H+](Cc4cccnc4)C[C@@]34CCNC4=O)CC2)n1 ZINC000097952847 559124907 /nfs/dbraw/zinc/12/49/07/559124907.db2.gz QUYLLTQSOZFOOU-XMMPIXPASA-N 1 1 419.529 2.030 40 0 HEABMO C[N@@H+](Cc1cccc(CN2CCOCC2)c1)C[C@]1(O)CCN(c2ccc(F)cn2)C1 ZINC000257342593 559283448 /nfs/dbraw/zinc/28/34/48/559283448.db2.gz ZPJODAOYNDBMBD-HSZRJFAPSA-N 1 1 414.525 2.126 40 0 HEABMO COc1ccccc1CN1CC2(C1)C[N@@H+](CCc1ccccc1)C[C@@H]1C[C@@H](O)CN12 ZINC000514289492 560032589 /nfs/dbraw/zinc/03/25/89/560032589.db2.gz MNAQRQMNXUYEPE-XZOQPEGZSA-N 1 1 407.558 2.243 40 0 biogenic,in-vitro HEABMO Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000409005849 560664483 /nfs/dbraw/zinc/66/44/83/560664483.db2.gz XCWCZRISACUXRS-UHFFFAOYSA-N 1 1 415.559 2.002 40 0 HEABMO C[C@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)N(c1ccccc1)S(C)(=O)=O ZINC000409412400 560722868 /nfs/dbraw/zinc/72/28/68/560722868.db2.gz WBSBWAYPBWHRFF-GOSISDBHSA-N 1 1 401.532 2.186 40 0 HEABMO Cc1ccc2cc([C@H](c3nnnn3C(C)(C)C)N3CC[NH+](C)CC3)c(=O)[nH]c2c1C ZINC000019234193 560872107 /nfs/dbraw/zinc/87/21/07/560872107.db2.gz VBCGATBAKORJQS-LJQANCHMSA-N 1 1 409.538 2.223 40 0 HEABMO C[C@@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)N(c1ccccc1F)S(C)(=O)=O ZINC000220301204 568504527 /nfs/dbraw/zinc/50/45/27/568504527.db2.gz GFUNFBGTICAMKQ-KRWDZBQOSA-N 1 1 419.522 2.325 40 0 HEABMO CCS(=O)(=O)N1CCC(C(=O)NCCNc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000222612760 568520590 /nfs/dbraw/zinc/52/05/90/568520590.db2.gz BNOSDRZGPDAFIS-UHFFFAOYSA-N 1 1 424.954 2.478 40 0 HEABMO CS(=O)(=O)N1CCC[C@H](C(=O)NCCCNc2cc[nH+]c3cc(Cl)ccc23)C1 ZINC000260731552 568736860 /nfs/dbraw/zinc/73/68/60/568736860.db2.gz FHYZQRGURAVGEW-AWEZNQCLSA-N 1 1 424.954 2.478 40 0 HEABMO NC(=O)[C@]1(c2ccccn2)CCC[N@@H+](CC2(O)CCN(c3ccccc3F)CC2)C1 ZINC000257278242 568797857 /nfs/dbraw/zinc/79/78/57/568797857.db2.gz OBLLYPAGLWBIBF-HSZRJFAPSA-N 1 1 412.509 2.071 40 0 HEABMO CC[N@@H+](Cc1ccncc1)C[C@@]1(O)CCCN(C(=O)c2sc(N)nc2C)CC1 ZINC000257338517 568815543 /nfs/dbraw/zinc/81/55/43/568815543.db2.gz YXUJNMZNGHJTEM-HXUWFJFHSA-N 1 1 403.552 2.308 40 0 HEABMO CCc1ccc(C[N@H+]2CC[C@@]3(C2)Cn2c(=O)c(=O)n(C4CCCC4)nc2CO3)cc1 ZINC000306138026 568899923 /nfs/dbraw/zinc/89/99/23/568899923.db2.gz RNAYVYCLEKWTOF-HSZRJFAPSA-N 1 1 410.518 2.257 40 0 HEABMO O=C1N(Cc2ccncc2)CCO[C@]12C[N@@H+](Cc1cccnc1)C[C@@H]2c1cccnc1 ZINC000306138948 568900904 /nfs/dbraw/zinc/90/09/04/568900904.db2.gz SLIWMGSEEOHSOD-VWNXMTODSA-N 1 1 415.497 2.269 40 0 HEABMO COCCN1C[C@]2(CC[N@H+](Cc3cccc(F)c3)C2)Oc2ccccc2S1(=O)=O ZINC000306140388 568902409 /nfs/dbraw/zinc/90/24/09/568902409.db2.gz URUOGTBIXKUCGG-OAQYLSRUSA-N 1 1 420.506 2.500 40 0 HEABMO COCCN1C[C@]2(CC[N@@H+](Cc3cccc(F)c3)C2)Oc2ccccc2S1(=O)=O ZINC000306140388 568902410 /nfs/dbraw/zinc/90/24/10/568902410.db2.gz URUOGTBIXKUCGG-OAQYLSRUSA-N 1 1 420.506 2.500 40 0 HEABMO CN1Cc2nnc(C(=O)NC3CCCCC3)n2C[C@]12CC[N@@H+](Cc1ccsc1)C2 ZINC000306141632 568903214 /nfs/dbraw/zinc/90/32/14/568903214.db2.gz WCMRHCGXGNMUBJ-OAQYLSRUSA-N 1 1 414.579 2.492 40 0 HEABMO COCCN1C[C@@]2(CC[N@H+](Cc3ccsc3)C2)Oc2ccccc2S1(=O)=O ZINC000306142602 568904172 /nfs/dbraw/zinc/90/41/72/568904172.db2.gz XEHKVRCHMXEEOJ-IBGZPJMESA-N 1 1 408.545 2.422 40 0 HEABMO COCCN1C[C@@]2(CC[N@@H+](Cc3ccsc3)C2)Oc2ccccc2S1(=O)=O ZINC000306142602 568904174 /nfs/dbraw/zinc/90/41/74/568904174.db2.gz XEHKVRCHMXEEOJ-IBGZPJMESA-N 1 1 408.545 2.422 40 0 HEABMO Cc1ccc(C[N@H+]2CC[C@@]3(CCn4c3nn(Cc3cccs3)c(=O)c4=O)C2)s1 ZINC000306143022 568904718 /nfs/dbraw/zinc/90/47/18/568904718.db2.gz XRCBYHHIZJAWSD-HXUWFJFHSA-N 1 1 414.556 2.432 40 0 HEABMO Cc1ncsc1C[N@@H+]1C[C@@H]2Cc3nnc(C(=O)NCc4ccccc4)n3C[C@H]2C1 ZINC000306143527 568904900 /nfs/dbraw/zinc/90/49/00/568904900.db2.gz YEQICXSMTWMIGI-DLBZAZTESA-N 1 1 408.531 2.277 40 0 HEABMO C[NH+](C)CCN(CC1(c2ccc(Cl)cc2Cl)CC1)[C@H]1CS(=O)(=O)C[C@H]1O ZINC000248039284 569316048 /nfs/dbraw/zinc/31/60/48/569316048.db2.gz VHNRYGFZHVFUCZ-DLBZAZTESA-N 1 1 421.390 2.047 40 0 HEABMO Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000019720306 569348513 /nfs/dbraw/zinc/34/85/13/569348513.db2.gz VOENVVZUKFYGOI-GOSISDBHSA-N 1 1 401.532 2.006 40 0 HEABMO CC(=O)N1CCC([N@H+]2C[C@@H]3C[C@H]2C(=O)N(Cc2ccccn2)c2ccccc2O3)CC1 ZINC000096111865 291202638 /nfs/dbraw/zinc/20/26/38/291202638.db2.gz WTNZZJNUNBFNTR-UNMCSNQZSA-N 1 1 420.513 2.461 40 0 biogenic,in-vitro HEABMO CCS(=O)(=O)c1ccc2oc([C@H]3CC[N@H+](C4CCN(C(C)=O)CC4)C3)nc2c1 ZINC000049169147 291204612 /nfs/dbraw/zinc/20/46/12/291204612.db2.gz VAIRZEMMCCNQNQ-HNNXBMFYSA-N 1 1 405.520 2.422 40 0 biogenic,in-vitro HEABMO COc1cc(C(=O)Sc2nc(C)cc(N3CC[NH+](C)CC3)n2)cc(OC)c1OC ZINC000005725051 557670957 /nfs/dbraw/zinc/67/09/57/557670957.db2.gz FQZQXKBHUJVFOM-UHFFFAOYSA-N 1 1 418.519 2.495 40 0 HEABMO Cc1ccc(C2(CNC(=O)C[C@@H]3C(=O)NCC[N@H+]3C3CCCC3)CCOCC2)cc1 ZINC000019208658 558847748 /nfs/dbraw/zinc/84/77/48/558847748.db2.gz IONCGSMCOMBKEW-OAQYLSRUSA-N 1 1 413.562 2.293 40 0 HEABMO O=C(c1ccccn1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@H+](Cc1cccnc1)CC2 ZINC000019400069 558882915 /nfs/dbraw/zinc/88/29/15/558882915.db2.gz WMTJRRJMUQQIBN-FQEVSTJZSA-N 1 1 416.485 2.096 40 0 HEABMO O=C(c1ccccn1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](Cc1cccnc1)CC2 ZINC000019400069 558882917 /nfs/dbraw/zinc/88/29/17/558882917.db2.gz WMTJRRJMUQQIBN-FQEVSTJZSA-N 1 1 416.485 2.096 40 0 HEABMO O=C(c1ccccn1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@H+](Cc1cccnc1)CC2 ZINC000019400072 558882941 /nfs/dbraw/zinc/88/29/41/558882941.db2.gz WMTJRRJMUQQIBN-HXUWFJFHSA-N 1 1 416.485 2.096 40 0 HEABMO O=C(c1ccccn1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](Cc1cccnc1)CC2 ZINC000019400072 558882945 /nfs/dbraw/zinc/88/29/45/558882945.db2.gz WMTJRRJMUQQIBN-HXUWFJFHSA-N 1 1 416.485 2.096 40 0 HEABMO Cc1ccc(S(=O)(=O)NCCNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000057154790 558887828 /nfs/dbraw/zinc/88/78/28/558887828.db2.gz WWDOYWYLWNJGDC-FQEVSTJZSA-N 1 1 415.559 2.302 40 0 HEABMO CCCC(=O)N1CCc2nc([C@@H]3CCC[N@@H+](Cc4cnn(CC)c4)C3)[nH]c(=O)c2C1 ZINC000019501602 558899718 /nfs/dbraw/zinc/89/97/18/558899718.db2.gz FOBIOOBIKIRSPW-QGZVFWFLSA-N 1 1 412.538 2.051 40 0 HEABMO COC(=O)[C@@]1(CCN2CCOCC2)C(=O)C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cc1 ZINC000072340195 558938925 /nfs/dbraw/zinc/93/89/25/558938925.db2.gz PLUCSWSEINOFSF-XQBPLPMBSA-N 1 1 404.482 2.013 40 0 HEABMO CCOc1cc(C[N@H+]2C[C@@H]3C(c4ccc(C)cc4)=NO[C@@H]3C2)ccc1OCC(N)=O ZINC000072343260 558940888 /nfs/dbraw/zinc/94/08/88/558940888.db2.gz MPSLNPDDWIQUFU-GHTZIAJQSA-N 1 1 409.486 2.493 40 0 HEABMO CCOc1cc(C[N@@H+]2C[C@@H]3C(c4ccc(C)cc4)=NO[C@@H]3C2)ccc1OCC(N)=O ZINC000072343260 558940890 /nfs/dbraw/zinc/94/08/90/558940890.db2.gz MPSLNPDDWIQUFU-GHTZIAJQSA-N 1 1 409.486 2.493 40 0 HEABMO O=S(=O)(c1cn[nH]c1)N1CC[N@@H+](Cc2ccccc2)C[C@@H](Cc2ccccn2)C1 ZINC000072355245 558952611 /nfs/dbraw/zinc/95/26/11/558952611.db2.gz VSXZSNHDKYUTRZ-LJQANCHMSA-N 1 1 411.531 2.170 40 0 HEABMO CN(C)S(=O)(=O)N1CC[NH+](Cc2c3cccnc3[nH]c2-c2cccs2)CC1 ZINC000072397009 558975788 /nfs/dbraw/zinc/97/57/88/558975788.db2.gz CXSLZTLZRNPREK-UHFFFAOYSA-N 1 1 405.549 2.215 40 0 HEABMO COc1ccc(OC)c(C(=O)N2CCC[C@@]3(CC[N@@H+]3CC(=O)N3CCCC3)C2)c1 ZINC000585101738 559024810 /nfs/dbraw/zinc/02/48/10/559024810.db2.gz CVNCHIZTGFHBEF-JOCHJYFZSA-N 1 1 401.507 2.007 40 0 HEABMO COc1ccc(OC)c(C(=O)N2CCC[C@@]3(CC[N@H+]3CC(=O)N3CCCC3)C2)c1 ZINC000585101738 559024812 /nfs/dbraw/zinc/02/48/12/559024812.db2.gz CVNCHIZTGFHBEF-JOCHJYFZSA-N 1 1 401.507 2.007 40 0 HEABMO Cc1ccccc1S(=O)(=O)N1CCC2(CO[C@@H](C[N@H+]3CCC[C@H](O)C3)C2)CC1 ZINC000585104240 559026901 /nfs/dbraw/zinc/02/69/01/559026901.db2.gz OPOZQYYXYAMFBD-RBUKOAKNSA-N 1 1 408.564 2.012 40 0 HEABMO CC[C@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc(N(C)C)cc2)CC1 ZINC000585106178 559028513 /nfs/dbraw/zinc/02/85/13/559028513.db2.gz VSFVCGONHRWQKO-WMQCIHAUSA-N 1 1 412.578 2.451 40 0 HEABMO C[N@H+]1CCCN(C(=O)c2nc(-c3cn(-c4ccccn4)cn3)n3ccccc23)CC1 ZINC000096155072 559099370 /nfs/dbraw/zinc/09/93/70/559099370.db2.gz SOZZEAANYJXBPT-UHFFFAOYSA-N 1 1 401.474 2.360 40 0 HEABMO Cc1ccc(N2CC[N@H+](CC3CC3)C3(CCN(c4ncc(F)cn4)CC3)C2=O)cn1 ZINC000096230383 559103017 /nfs/dbraw/zinc/10/30/17/559103017.db2.gz PFYZZXAEACZFGG-UHFFFAOYSA-N 1 1 410.497 2.417 40 0 HEABMO Cc1ccc(N2CC[N@@H+](CC3CC3)C3(CCN(c4ncc(F)cn4)CC3)C2=O)cn1 ZINC000096230383 559103018 /nfs/dbraw/zinc/10/30/18/559103018.db2.gz PFYZZXAEACZFGG-UHFFFAOYSA-N 1 1 410.497 2.417 40 0 HEABMO CCc1cccc(NC(=O)N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)c1 ZINC000096239864 559103521 /nfs/dbraw/zinc/10/35/21/559103521.db2.gz IVJYIRLQRRADFU-UHFFFAOYSA-N 1 1 402.539 2.284 40 0 HEABMO CCc1cccc(NC(=O)N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)c1 ZINC000096239864 559103524 /nfs/dbraw/zinc/10/35/24/559103524.db2.gz IVJYIRLQRRADFU-UHFFFAOYSA-N 1 1 402.539 2.284 40 0 HEABMO CCN1CC[C@@]2(C[N@@H+](CCOC)CC23CCN(C(=O)c2ccccc2F)CC3)C1=O ZINC000096262801 559106758 /nfs/dbraw/zinc/10/67/58/559106758.db2.gz AEDDBBIWEJGIFC-HSZRJFAPSA-N 1 1 417.525 2.249 40 0 HEABMO CN1CCCN(C(=O)c2ccc3nnc([C@@H]4CC[N@H+](Cc5ccccc5)C4)n3c2)CC1 ZINC000096267522 559108218 /nfs/dbraw/zinc/10/82/18/559108218.db2.gz ASRIAGHNMDSSGH-HXUWFJFHSA-N 1 1 418.545 2.497 40 0 HEABMO CN1CCCN(C(=O)c2ccc3nnc([C@@H]4CC[N@@H+](Cc5ccccc5)C4)n3c2)CC1 ZINC000096267522 559108220 /nfs/dbraw/zinc/10/82/20/559108220.db2.gz ASRIAGHNMDSSGH-HXUWFJFHSA-N 1 1 418.545 2.497 40 0 HEABMO COc1ccc(CNC(=O)C[NH+]2CCC(O)(COc3ccccc3F)CC2)cc1 ZINC000585274604 559118583 /nfs/dbraw/zinc/11/85/83/559118583.db2.gz XMWMFIIUDSNJMA-UHFFFAOYSA-N 1 1 402.466 2.356 40 0 HEABMO CC(=O)N1CC[N@@H+](CC2(O)CCCCC2)C[C@](O)(COc2ccc(F)c(C)c2)C1 ZINC000585287501 559123152 /nfs/dbraw/zinc/12/31/52/559123152.db2.gz NJUUXGSAIMOAHL-JOCHJYFZSA-N 1 1 408.514 2.103 40 0 HEABMO CCC(CC)[N@H+]1CCN(C(=O)COC)C[C@](O)(COc2cccc(F)c2F)C1 ZINC000585288042 559123186 /nfs/dbraw/zinc/12/31/86/559123186.db2.gz UWLMRBFAUVVTOY-FQEVSTJZSA-N 1 1 400.466 2.054 40 0 HEABMO [NH3+]C[C@H]1CC[C@H](C(=O)N2CCC[C@@H](C3=Nc4ccccc4S(=O)(=O)N3)C2)CC1 ZINC000100221977 559132338 /nfs/dbraw/zinc/13/23/38/559132338.db2.gz BAAFRJROPJVASZ-OWCLPIDISA-N 1 1 404.536 2.012 40 0 HEABMO CC(=O)N[C@H]1CC[C@](CNC(=O)C[N@H+](C)C2CCCC2)(c2ccccc2)CC[C@@H]1O ZINC000257216126 559282749 /nfs/dbraw/zinc/28/27/49/559282749.db2.gz CTETWIOCQPXJMQ-FIXSFTCYSA-N 1 1 415.578 2.355 40 0 HEABMO C[N@@H+](Cc1cccc(CN2CCOCC2)c1)C[C@@]1(O)CCN(c2ccc(F)cn2)C1 ZINC000257342594 559283492 /nfs/dbraw/zinc/28/34/92/559283492.db2.gz ZPJODAOYNDBMBD-QHCPKHFHSA-N 1 1 414.525 2.126 40 0 HEABMO Cc1cc(C)n(CCOc2ccc(C[N@H+]3CCC[C@@]3(C)C(=O)NCCO)cc2)n1 ZINC000257236183 559284004 /nfs/dbraw/zinc/28/40/04/559284004.db2.gz HBCPWCQYZLESSW-QFIPXVFZSA-N 1 1 400.523 2.042 40 0 HEABMO CCOCCCNC(=O)C[NH+]1CCC(NC(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000004910102 560618273 /nfs/dbraw/zinc/61/82/73/560618273.db2.gz KEVWOMGQIXVUHG-UHFFFAOYSA-N 1 1 405.583 2.326 40 0 HEABMO CCN(CC)C(=O)C[NH+]1CCC2(CC1)Nc1ccc(Br)cc1C(=O)N2 ZINC000013566788 560813734 /nfs/dbraw/zinc/81/37/34/560813734.db2.gz KGDDLKQIRCKAQH-UHFFFAOYSA-N 1 1 409.328 2.265 40 0 HEABMO COc1ccc(OC)c([C@H](c2nnnn2Cc2ccccc2)N2CC[NH+](C)CC2)c1 ZINC000019589825 560874403 /nfs/dbraw/zinc/87/44/03/560874403.db2.gz APWAFOGSOIGQFU-OAQYLSRUSA-N 1 1 408.506 2.075 40 0 HEABMO CNC(=S)N(CCC[NH+]1CCOCC1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000019824154 560875936 /nfs/dbraw/zinc/87/59/36/560875936.db2.gz FJJURZHFWHSWDQ-UHFFFAOYSA-N 1 1 402.564 2.174 40 0 HEABMO Cc1ccc(CN(CC(=O)N2CC[NH+](C)CC2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000019929650 560877029 /nfs/dbraw/zinc/87/70/29/560877029.db2.gz AWHIAYJBSFYLIH-UHFFFAOYSA-N 1 1 415.559 2.268 40 0 HEABMO Cc1cc(OC[C@H](O)CN2CC[NH+](C[C@H](O)COC(C)C)CC2)cc(C)c1Cl ZINC000019369037 560885563 /nfs/dbraw/zinc/88/55/63/560885563.db2.gz XHDFSXYOJBVTGO-RBUKOAKNSA-N 1 1 414.974 2.100 40 0 HEABMO COc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@@H+]4[C@@]4(C(=O)Nc5ccc(F)cc54)[C@@H]3C2=O)cc1 ZINC000033675431 568516945 /nfs/dbraw/zinc/51/69/45/568516945.db2.gz BOESPHYEONFFIN-GKAYAJSDSA-N 1 1 421.428 2.266 40 0 HEABMO COc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@H+]4[C@@]4(C(=O)Nc5ccc(F)cc54)[C@@H]3C2=O)cc1 ZINC000033675431 568516947 /nfs/dbraw/zinc/51/69/47/568516947.db2.gz BOESPHYEONFFIN-GKAYAJSDSA-N 1 1 421.428 2.266 40 0 HEABMO O=C(Nc1nnc(S(=O)(=O)NCCC[NH+]2CCCCCC2)s1)c1ccccc1 ZINC000225875662 568682578 /nfs/dbraw/zinc/68/25/78/568682578.db2.gz UGVDULXFHLARQG-UHFFFAOYSA-N 1 1 423.564 2.335 40 0 HEABMO CCS(=O)(=O)N(C)CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000225959365 568689201 /nfs/dbraw/zinc/68/92/01/568689201.db2.gz QEGFXQZILSKLKD-UHFFFAOYSA-N 1 1 415.559 2.202 40 0 HEABMO C[C@H](C(=O)NCCC[N@H+]1CCC[C@H](C)C1)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000260836831 568741110 /nfs/dbraw/zinc/74/11/10/568741110.db2.gz AAAQDQHDVUSGHM-LSDHHAIUSA-N 1 1 417.522 2.358 40 0 HEABMO O=C(C[N@@H+]1C[C@H]2[C@@H](C1)CCC[C@@H]2Cc1cncnc1)N1CC(=O)Nc2ccccc21 ZINC000257253163 568791184 /nfs/dbraw/zinc/79/11/84/568791184.db2.gz JXUJKYMTEOHSNX-GUDVDZBRSA-N 1 1 405.502 2.353 40 0 HEABMO CNC(=O)c1ccc(-c2cccc([C@@H]3CN(c4cc(C)[nH+]c(C)n4)CCO3)n2)cn1 ZINC000257264263 568794111 /nfs/dbraw/zinc/79/41/11/568794111.db2.gz LTQYSENOXSGNIW-FQEVSTJZSA-N 1 1 404.474 2.488 40 0 HEABMO NC(=O)[C@]1(c2ccccn2)CCC[N@H+](CC(=O)Nc2ccc(OC(F)F)cc2)C1 ZINC000257290803 568801615 /nfs/dbraw/zinc/80/16/15/568801615.db2.gz QEJHQWSAEAWBFS-HXUWFJFHSA-N 1 1 404.417 2.141 40 0 HEABMO NC(=O)[C@]1(c2ccccn2)CCC[N@@H+](CC(=O)Nc2ccc(OC(F)F)cc2)C1 ZINC000257290803 568801616 /nfs/dbraw/zinc/80/16/16/568801616.db2.gz QEJHQWSAEAWBFS-HXUWFJFHSA-N 1 1 404.417 2.141 40 0 HEABMO Cc1cccc(N2CCC(O)(C[N@H+]3CCC[C@@](C(N)=O)(c4ccccn4)C3)CC2)c1 ZINC000257327616 568812467 /nfs/dbraw/zinc/81/24/67/568812467.db2.gz XCAZLHYETXCKGS-DEOSSOPVSA-N 1 1 408.546 2.240 40 0 HEABMO COc1ccc(NC(=O)c2nnc3n2C[C@H]2C[N@H+](Cc4nccs4)C[C@H]2C3)cc1 ZINC000306124429 568887469 /nfs/dbraw/zinc/88/74/69/568887469.db2.gz BPNFUMXSYZETSI-ZIAGYGMSSA-N 1 1 410.503 2.300 40 0 HEABMO Cc1ccc(C[N@H+]2CC[C@@]3(Cc4nn(Cc5ccccc5)c(=O)c(=O)n4C3)C2)s1 ZINC000306128587 568891363 /nfs/dbraw/zinc/89/13/63/568891363.db2.gz HFPZJKNXNRECBV-JOCHJYFZSA-N 1 1 408.527 2.272 40 0 HEABMO Cc1cc(C)cc(C[N@H+]2CC[C@]3(C2)Cn2c(=O)c(=O)n(C4CCCC4)nc2CO3)c1 ZINC000306128726 568891456 /nfs/dbraw/zinc/89/14/56/568891456.db2.gz HJBJGFOJLZALIO-QHCPKHFHSA-N 1 1 410.518 2.312 40 0 HEABMO COc1ccc(C[NH+]2CCC3(CC2)CN(C)S(=O)(=O)c2cccnc2O3)cc1 ZINC000306133736 568895907 /nfs/dbraw/zinc/89/59/07/568895907.db2.gz MTXPLCXCAVIGII-UHFFFAOYSA-N 1 1 403.504 2.138 40 0 HEABMO CNc1ncc2c(n1)C1(CC[NH+](Cc3ccc(Cl)cc3)CC1)CN(C)S2(=O)=O ZINC000306139863 568901511 /nfs/dbraw/zinc/90/15/11/568901511.db2.gz UCWJMHFJVUFUFS-UHFFFAOYSA-N 1 1 421.954 2.340 40 0 HEABMO CC(=O)N[C@@H]1CCCC[C@]12C[N@H+](Cc1c(C)n(C)n(-c3ccccc3)c1=O)CCO2 ZINC000306140809 568902652 /nfs/dbraw/zinc/90/26/52/568902652.db2.gz VENNVLBNNMVINH-GGAORHGYSA-N 1 1 412.534 2.134 40 0 HEABMO CC(=O)N[C@@H]1CCCC[C@]12C[N@@H+](Cc1c(C)n(C)n(-c3ccccc3)c1=O)CCO2 ZINC000306140809 568902653 /nfs/dbraw/zinc/90/26/53/568902653.db2.gz VENNVLBNNMVINH-GGAORHGYSA-N 1 1 412.534 2.134 40 0 HEABMO Cc1cc(C)cc(C[N@H+]2CC[C@@]3(CCn4c3nn(Cc3ccccn3)c(=O)c4=O)C2)c1 ZINC000306142091 568903772 /nfs/dbraw/zinc/90/37/72/568903772.db2.gz WPDYFELKWIKOSL-XMMPIXPASA-N 1 1 417.513 2.013 40 0 HEABMO Cc1ncsc1C[N@@H+]1C[C@H]2Cc3nnc(C(=O)NCc4ccccc4)n3C[C@@H]2C1 ZINC000306143530 568904968 /nfs/dbraw/zinc/90/49/68/568904968.db2.gz YEQICXSMTWMIGI-SJORKVTESA-N 1 1 408.531 2.277 40 0 HEABMO O=C(C[C@@H]1C=CCC1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2cccnc2)C3)C1 ZINC000019339503 569345425 /nfs/dbraw/zinc/34/54/25/569345425.db2.gz XNSGMZKYRQOUHV-MJGOQNOKSA-N 1 1 419.529 2.395 40 0 HEABMO O=C(C[C@@H]1C=CCC1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2cccnc2)C3)C1 ZINC000019339503 569345426 /nfs/dbraw/zinc/34/54/26/569345426.db2.gz XNSGMZKYRQOUHV-MJGOQNOKSA-N 1 1 419.529 2.395 40 0 HEABMO CC(=O)N1CCC(c2cc(C[NH+](C)C)n(CCNC(=O)C3CCCCC3)n2)CC1 ZINC000019709121 569348023 /nfs/dbraw/zinc/34/80/23/569348023.db2.gz DSQGDOFRQODKTF-UHFFFAOYSA-N 1 1 403.571 2.367 40 0 HEABMO C[C@H]1CCC[N@@H+](CCCNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000049761088 569352215 /nfs/dbraw/zinc/35/22/15/569352215.db2.gz PCOOBYJTYFWJEU-HNNXBMFYSA-N 1 1 401.960 2.199 40 0 HEABMO COc1ccccc1C[NH+]1CCC(O)(c2csc(CN3CCOCC3)n2)CC1 ZINC000225468061 291209695 /nfs/dbraw/zinc/20/96/95/291209695.db2.gz YTYBVGNKZXLJOJ-UHFFFAOYSA-N 1 1 403.548 2.468 40 0 biogenic,in-vitro HEABMO O=C1NCN(c2ccccc2)C12CC[NH+](CCCS(=O)(=O)c1ccccc1)CC2 ZINC000001668990 557279468 /nfs/dbraw/zinc/27/94/68/557279468.db2.gz AHDHQOPGQHFFQA-UHFFFAOYSA-N 1 1 413.543 2.279 40 0 HEABMO CC[NH+]1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4ccccc4c3)C2)CC1 ZINC000408554682 557444745 /nfs/dbraw/zinc/44/47/45/557444745.db2.gz DGUQCKMREFPIGB-FQEVSTJZSA-N 1 1 415.559 2.405 40 0 HEABMO COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CC[NH+](C)CC1)C1CCCCC1 ZINC000408636284 557611217 /nfs/dbraw/zinc/61/12/17/557611217.db2.gz NLPFRNOCIYLKEK-UHFFFAOYSA-N 1 1 423.579 2.101 40 0 HEABMO COc1cccc([C@@H](c2nnnn2CCc2ccccc2)N2CC[NH+](C)CC2)c1OC ZINC000020142362 558339055 /nfs/dbraw/zinc/33/90/55/558339055.db2.gz UJZIGAHGTKPQHZ-NRFANRHFSA-N 1 1 422.533 2.270 40 0 HEABMO O=C(C1CC1)N1CCCc2cc([C@@H](O)C[NH+]3CCN(c4ncccn4)CC3)ccc21 ZINC000036741234 558802136 /nfs/dbraw/zinc/80/21/36/558802136.db2.gz PXTHWAAFYGWLML-NRFANRHFSA-N 1 1 407.518 2.021 40 0 HEABMO Cc1cc(C)n2ncc(C[N@H+]3CC=CC[C@@]4(C(=O)N5CCN(C)CC5)CCC[C@@H]34)c2n1 ZINC000019116582 558842106 /nfs/dbraw/zinc/84/21/06/558842106.db2.gz JGWRIBNLBVEJIZ-ZJSXRUAMSA-N 1 1 422.577 2.421 40 0 HEABMO Cc1[nH+]ccn1CC1(O)CCN(C(=O)C2CN(Cc3ccc(Cl)cc3)C2)CC1 ZINC000019287838 558861225 /nfs/dbraw/zinc/86/12/25/558861225.db2.gz MMJPGPVQAHPSMV-UHFFFAOYSA-N 1 1 402.926 2.330 40 0 HEABMO O=C(C1CCCC1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2cccnc2)C3)C1 ZINC000019339469 558871237 /nfs/dbraw/zinc/87/12/37/558871237.db2.gz RXJOBINSLAKKEW-SFHVURJKSA-N 1 1 407.518 2.229 40 0 HEABMO O=C(C1CCCC1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2cccnc2)C3)C1 ZINC000019339469 558871240 /nfs/dbraw/zinc/87/12/40/558871240.db2.gz RXJOBINSLAKKEW-SFHVURJKSA-N 1 1 407.518 2.229 40 0 HEABMO O=C1CCOC[C@]2(C[N@@H+](Cc3ccccc3-n3cccn3)C[C@H]2c2cccnc2)N1 ZINC000019349471 558875181 /nfs/dbraw/zinc/87/51/81/558875181.db2.gz VZHXNZLXHSEMKD-REWPJTCUSA-N 1 1 403.486 2.142 40 0 HEABMO CCCC(=O)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccccc2OC)C3)C1 ZINC000019501115 558898998 /nfs/dbraw/zinc/89/89/98/558898998.db2.gz OZZGNFGAQGGIPO-KRWDZBQOSA-N 1 1 410.518 2.453 40 0 HEABMO CCCC(=O)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccccc2OC)C3)C1 ZINC000019501115 558898999 /nfs/dbraw/zinc/89/89/99/558898999.db2.gz OZZGNFGAQGGIPO-KRWDZBQOSA-N 1 1 410.518 2.453 40 0 HEABMO CCc1nc(N2CCN(C(=O)[C@@H](C)N3c4ccccc4O[C@@H](C)C3=O)CC2)cc(C)[nH+]1 ZINC000019523123 558904231 /nfs/dbraw/zinc/90/42/31/558904231.db2.gz KQAAZZYVRODMKC-SJORKVTESA-N 1 1 423.517 2.199 40 0 HEABMO COc1cc(OC)c(OC)cc1C[N@H+]1CCc2nc(-c3ccccn3)[nH]c(=O)c2CC1 ZINC000019595008 558945871 /nfs/dbraw/zinc/94/58/71/558945871.db2.gz VKNSFGWPKVJIAZ-UHFFFAOYSA-N 1 1 422.485 2.459 40 0 HEABMO COc1cccc(OC)c1C(=O)N1CCN(C(=O)[C@@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000019656000 558949071 /nfs/dbraw/zinc/94/90/71/558949071.db2.gz AWAMCEKDFBRHAR-SFHVURJKSA-N 1 1 415.534 2.395 40 0 HEABMO CNc1nc([C@@H]2CCCN(C(=O)Cc3ccc(OC)cc3)C2)nc2c1CC[N@H+](C)C2 ZINC000072380196 558968278 /nfs/dbraw/zinc/96/82/78/558968278.db2.gz IEPJESLRTUYHTJ-QGZVFWFLSA-N 1 1 409.534 2.464 40 0 HEABMO CNc1nc([C@@H]2CCCN(C(=O)Cc3ccc(OC)cc3)C2)nc2c1CC[N@@H+](C)C2 ZINC000072380196 558968280 /nfs/dbraw/zinc/96/82/80/558968280.db2.gz IEPJESLRTUYHTJ-QGZVFWFLSA-N 1 1 409.534 2.464 40 0 HEABMO CNc1nc([C@H]2CCC[N@@H+](C)C2)nc2c1CCN(C(=O)Cc1ccc(OC)cc1)C2 ZINC000019707201 558969503 /nfs/dbraw/zinc/96/95/03/558969503.db2.gz WMCKHWUZPNCVJH-KRWDZBQOSA-N 1 1 409.534 2.464 40 0 HEABMO O=C([C@@H](c1ccc(F)cc1)N1CCOCC1)N1CCC[N@H+](Cc2ccccn2)CC1 ZINC000019717201 558979543 /nfs/dbraw/zinc/97/95/43/558979543.db2.gz UMLPJEOYPCTTLS-JOCHJYFZSA-N 1 1 412.509 2.329 40 0 HEABMO O=C([C@@H](c1ccc(F)cc1)N1CCOCC1)N1CCC[N@@H+](Cc2ccccn2)CC1 ZINC000019717201 558979544 /nfs/dbraw/zinc/97/95/44/558979544.db2.gz UMLPJEOYPCTTLS-JOCHJYFZSA-N 1 1 412.509 2.329 40 0 HEABMO COC[C@H]1CC2(C[N@H+]1Cc1cccnc1)CCN(C(=O)c1cc(OC)no1)CC2 ZINC000585103852 559025888 /nfs/dbraw/zinc/02/58/88/559025888.db2.gz RRESNEMUPCHAAZ-QGZVFWFLSA-N 1 1 400.479 2.222 40 0 HEABMO O=C(C[N@H+]1CC[C@]12CCCN(C(=O)c1ccnc(C(F)(F)F)c1)C2)N1CCCC1 ZINC000585102273 559025994 /nfs/dbraw/zinc/02/59/94/559025994.db2.gz VZTNUOIYFJEYGB-IBGZPJMESA-N 1 1 410.440 2.403 40 0 HEABMO O=C(C[N@@H+]1CC[C@]12CCCN(C(=O)c1ccnc(C(F)(F)F)c1)C2)N1CCCC1 ZINC000585102273 559025996 /nfs/dbraw/zinc/02/59/96/559025996.db2.gz VZTNUOIYFJEYGB-IBGZPJMESA-N 1 1 410.440 2.403 40 0 HEABMO Cc1ccccc1S(=O)(=O)N1CCC2(CO[C@H](C[N@H+]3CCC[C@H]3CO)C2)CC1 ZINC000585103483 559026608 /nfs/dbraw/zinc/02/66/08/559026608.db2.gz GRZIRCVQUIEFCJ-OALUTQOASA-N 1 1 408.564 2.012 40 0 HEABMO CC(C)CC[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000585106136 559028405 /nfs/dbraw/zinc/02/84/05/559028405.db2.gz QEBCYVKKTQVTHX-UXHICEINSA-N 1 1 401.526 2.453 40 0 HEABMO CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2cc(C3CC3)on2)CC1 ZINC000585106317 559028714 /nfs/dbraw/zinc/02/87/14/559028714.db2.gz SNRAGRVLZAMSCC-OIISXLGYSA-N 1 1 400.523 2.393 40 0 HEABMO O=C(NCC1CCOCC1)[C@H]1C[C@H]2OCC[C@H]2[N@@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000585108746 559030271 /nfs/dbraw/zinc/03/02/71/559030271.db2.gz TUXARAYUXYZETA-MDNUFGMLSA-N 1 1 424.545 2.395 40 0 HEABMO CCN1C(=O)[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2C12CCN(C(=O)c1cccnc1)CC2 ZINC000096143630 559096183 /nfs/dbraw/zinc/09/61/83/559096183.db2.gz ANRKOIIDZJBMMX-LEWJYISDSA-N 1 1 419.529 2.062 40 0 HEABMO O=C(c1ccc2ccc(N3CC[NH+](Cc4cccnc4)CC3)n2c1)N1CCOCC1 ZINC000096155950 559100078 /nfs/dbraw/zinc/10/00/78/559100078.db2.gz XKMXHDGLTPUPFN-UHFFFAOYSA-N 1 1 405.502 2.129 40 0 HEABMO O[C@H]1[C@H](Oc2ccccc2)C[C@@H](NCc2ccccc2F)[C@@H]1[NH+]1CCC(O)CC1 ZINC000585262395 559110933 /nfs/dbraw/zinc/11/09/33/559110933.db2.gz MJWHCSYKILHOQX-LUKWVAJMSA-N 1 1 400.494 2.321 40 0 HEABMO CCOc1ccccc1OC[C@@H](O)C[N@@H+](C)Cc1ccc(OCCOCCO)cc1 ZINC000585269870 559116192 /nfs/dbraw/zinc/11/61/92/559116192.db2.gz OADTWTHZJZWBGJ-FQEVSTJZSA-N 1 1 419.518 2.345 40 0 HEABMO Cn1ccnc1COc1ccc(C[N@@H+](C)C[C@]2(O)CCN(c3ccccn3)C2)cc1 ZINC000585270701 559116415 /nfs/dbraw/zinc/11/64/15/559116415.db2.gz PHSJDQWKYCGHJF-HSZRJFAPSA-N 1 1 407.518 2.467 40 0 HEABMO CCC(CC)[N@H+]1CCN(C(=O)COC)C[C@@](O)(COc2cc(F)cc(F)c2)C1 ZINC000585284578 559121301 /nfs/dbraw/zinc/12/13/01/559121301.db2.gz YOMBWBYWRGOQMD-HXUWFJFHSA-N 1 1 400.466 2.054 40 0 HEABMO Cc1cccc(C(=O)N2CCC3(C[N@@H+](Cc4cccnc4)C[C@]34CCNC4=O)CC2)n1 ZINC000097952848 559124954 /nfs/dbraw/zinc/12/49/54/559124954.db2.gz QUYLLTQSOZFOOU-DEOSSOPVSA-N 1 1 419.529 2.030 40 0 HEABMO CCN1CC[C@]2(C[N@@H+](CCOC)CC23CCN(C(=O)Cc2ccsc2)CC3)C1=O ZINC000103475241 559156025 /nfs/dbraw/zinc/15/60/25/559156025.db2.gz JTRZBDVBXNDVFP-QFIPXVFZSA-N 1 1 419.591 2.100 40 0 HEABMO COc1ccc([C@@H](c2nnnn2Cc2ccccc2)N2CC[NH+](C)CC2)cc1OC ZINC000019589852 560873950 /nfs/dbraw/zinc/87/39/50/560873950.db2.gz OSYOEAHOMLJJLO-NRFANRHFSA-N 1 1 408.506 2.075 40 0 HEABMO CC[NH+]1CCN([C@H](c2nnnn2Cc2ccco2)c2cccc(OC)c2OC)CC1 ZINC000019528046 560874674 /nfs/dbraw/zinc/87/46/74/560874674.db2.gz SOJXGNDKQPFHNF-IBGZPJMESA-N 1 1 412.494 2.059 40 0 HEABMO Cc1cccc(N([C@@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)S(C)(=O)=O)c1 ZINC000220127699 568502522 /nfs/dbraw/zinc/50/25/22/568502522.db2.gz STLKAXVCCZDQHC-IBGZPJMESA-N 1 1 415.559 2.494 40 0 HEABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H](c2ccccc2)N(C)S(C)(=O)=O)cc1 ZINC000223387599 568547172 /nfs/dbraw/zinc/54/71/72/568547172.db2.gz FSLYHGQYZZOSLB-HXUWFJFHSA-N 1 1 412.515 2.430 40 0 HEABMO CCOC(=O)N1CC[NH+](C[C@H]2C(=O)O[C@@H]3CC4=CCC[C@@H](C)[C@@]4(C)[C@H](O)[C@@H]32)CC1 ZINC000026772186 568555712 /nfs/dbraw/zinc/55/57/12/568555712.db2.gz PGYFRFCVPWSCKX-DLBZJQHMSA-N 1 1 406.523 2.046 40 0 HEABMO Cc1ccc(CN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)S(C)(=O)=O)cc1 ZINC000225250037 568625716 /nfs/dbraw/zinc/62/57/16/568625716.db2.gz VDXTVMIQVHSPJA-UHFFFAOYSA-N 1 1 415.559 2.101 40 0 HEABMO CCS(=O)(=O)N(C)c1cccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000225968289 568689251 /nfs/dbraw/zinc/68/92/51/568689251.db2.gz MZTRKPONCWWLRI-UHFFFAOYSA-N 1 1 401.532 2.431 40 0 HEABMO C[N@H+](CC(=O)N1CCO[C@@H](c2n[nH]cc2-c2ccnc(N)c2)C1)Cc1ccc(F)cc1 ZINC000257227688 568784383 /nfs/dbraw/zinc/78/43/83/568784383.db2.gz FQLPVGSGQZGNKP-LJQANCHMSA-N 1 1 424.480 2.225 40 0 HEABMO C[N@@H+](CC(=O)N1CCO[C@@H](c2n[nH]cc2-c2ccnc(N)c2)C1)Cc1ccc(F)cc1 ZINC000257227688 568784385 /nfs/dbraw/zinc/78/43/85/568784385.db2.gz FQLPVGSGQZGNKP-LJQANCHMSA-N 1 1 424.480 2.225 40 0 HEABMO NC(=O)[C@@]1(c2ccccn2)CCC[N@H+](CC(=O)Nc2ccc(OC(F)F)cc2)C1 ZINC000257290802 568801650 /nfs/dbraw/zinc/80/16/50/568801650.db2.gz QEJHQWSAEAWBFS-FQEVSTJZSA-N 1 1 404.417 2.141 40 0 HEABMO NC(=O)[C@@]1(c2ccccn2)CCC[N@@H+](CC(=O)Nc2ccc(OC(F)F)cc2)C1 ZINC000257290802 568801651 /nfs/dbraw/zinc/80/16/51/568801651.db2.gz QEJHQWSAEAWBFS-FQEVSTJZSA-N 1 1 404.417 2.141 40 0 HEABMO CNC(=O)[C@]1(c2ccccn2)CCC[N@H+](CC(=O)Nc2ccc(OC(F)F)cc2)C1 ZINC000257332047 568813590 /nfs/dbraw/zinc/81/35/90/568813590.db2.gz XVMVJGFHDOTFRL-OAQYLSRUSA-N 1 1 418.444 2.401 40 0 HEABMO CNC(=O)[C@]1(c2ccccn2)CCC[N@@H+](CC(=O)Nc2ccc(OC(F)F)cc2)C1 ZINC000257332047 568813591 /nfs/dbraw/zinc/81/35/91/568813591.db2.gz XVMVJGFHDOTFRL-OAQYLSRUSA-N 1 1 418.444 2.401 40 0 HEABMO NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCN1CC(=O)Nc1cccc2c1CCCC2 ZINC000257344409 568817420 /nfs/dbraw/zinc/81/74/20/568817420.db2.gz ZXBVGGADNBFQHN-QFIPXVFZSA-N 1 1 406.530 2.176 40 0 HEABMO NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCN1CC(=O)Nc1cccc2c1CCCC2 ZINC000257344409 568817422 /nfs/dbraw/zinc/81/74/22/568817422.db2.gz ZXBVGGADNBFQHN-QFIPXVFZSA-N 1 1 406.530 2.176 40 0 HEABMO O=C1N(Cc2ccncc2)CCO[C@]12C[N@@H+](Cc1ccncc1)C[C@@H]2c1cccnc1 ZINC000306123035 568886117 /nfs/dbraw/zinc/88/61/17/568886117.db2.gz ACWVAYMRIVOQMH-VWNXMTODSA-N 1 1 415.497 2.269 40 0 HEABMO O=C1N(Cc2cccnc2)CCO[C@@]12C[N@@H+](Cc1ccccn1)C[C@H]2c1cccnc1 ZINC000306123270 568886653 /nfs/dbraw/zinc/88/66/53/568886653.db2.gz AIVPHBAWXUAIHW-LADGPHEKSA-N 1 1 415.497 2.269 40 0 HEABMO O=C1N(Cc2cccnc2)CCO[C@@]12C[N@@H+](Cc1ccccn1)C[C@@H]2c1cccnc1 ZINC000306123269 568886663 /nfs/dbraw/zinc/88/66/63/568886663.db2.gz AIVPHBAWXUAIHW-ISKFKSNPSA-N 1 1 415.497 2.269 40 0 HEABMO Cc1nc(C)c(C[N@H+]2CCOC[C@]3(CC[C@H](CNC(=O)c4cccnc4)O3)C2)s1 ZINC000306124563 568887700 /nfs/dbraw/zinc/88/77/00/568887700.db2.gz BTPXMZVFIMXXJX-NQIIRXRSSA-N 1 1 416.547 2.335 40 0 HEABMO O=C(c1ccsc1)N1CCN(C2=NO[C@@H]3CC[N@@H+](Cc4ccco4)C[C@@H]23)CC1 ZINC000306126657 568889594 /nfs/dbraw/zinc/88/95/94/568889594.db2.gz FBEQLFAISQOJGI-QZTJIDSGSA-N 1 1 400.504 2.333 40 0 HEABMO O=c1c(=O)n(C2CCCC2)nc2n1C[C@@]1(CC[N@@H+](Cc3ccc(Cl)cc3)C1)OC2 ZINC000306127731 568890552 /nfs/dbraw/zinc/89/05/52/568890552.db2.gz GFTUCFBSYVSXLL-NRFANRHFSA-N 1 1 416.909 2.348 40 0 HEABMO O=c1c(=O)n(C2CCCC2)nc2n1C[C@@]1(CC[N@H+](Cc3ccc(Cl)cc3)C1)OC2 ZINC000306127731 568890555 /nfs/dbraw/zinc/89/05/55/568890555.db2.gz GFTUCFBSYVSXLL-NRFANRHFSA-N 1 1 416.909 2.348 40 0 HEABMO COc1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)N(C(C)C)S(=O)(=O)c2cccnc2N3C)cc1 ZINC000306137098 568899019 /nfs/dbraw/zinc/89/90/19/568899019.db2.gz QLLILXHJJLMYCS-MOPGFXCFSA-N 1 1 416.547 2.192 40 0 HEABMO COc1ccc(C[N@H+]2C[C@@H]3[C@H](C2)N(C(C)C)S(=O)(=O)c2cccnc2N3C)cc1 ZINC000306137098 568899020 /nfs/dbraw/zinc/89/90/20/568899020.db2.gz QLLILXHJJLMYCS-MOPGFXCFSA-N 1 1 416.547 2.192 40 0 HEABMO CCn1cc(C[N@@H+]2C[C@H]3Cc4nnc(C(=O)Nc5ccc(OC)cc5)n4C[C@@H]3C2)cn1 ZINC000306141003 568902748 /nfs/dbraw/zinc/90/27/48/568902748.db2.gz VIOAYHMBZPQWRT-SJORKVTESA-N 1 1 421.505 2.060 40 0 HEABMO CC[NH+]1CCN(C(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)CC1 ZINC000006953412 569335634 /nfs/dbraw/zinc/33/56/34/569335634.db2.gz AYFCKDGREDYXBB-UHFFFAOYSA-N 1 1 401.532 2.431 40 0 HEABMO O=C(C[C@@H]1C=CCC1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2cccnc2)C3)C1 ZINC000019339500 569345476 /nfs/dbraw/zinc/34/54/76/569345476.db2.gz XNSGMZKYRQOUHV-IEBWSBKVSA-N 1 1 419.529 2.395 40 0 HEABMO O=C(C[C@@H]1C=CCC1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2cccnc2)C3)C1 ZINC000019339500 569345477 /nfs/dbraw/zinc/34/54/77/569345477.db2.gz XNSGMZKYRQOUHV-IEBWSBKVSA-N 1 1 419.529 2.395 40 0 HEABMO COc1ccccc1C[N@H+]1CCc2nc([C@@H]3CCN(C(=O)[C@@H]4C[C@@H]4C)C3)[nH]c(=O)c2C1 ZINC000019462760 569345565 /nfs/dbraw/zinc/34/55/65/569345565.db2.gz UBJARVAUGANOPS-CGTJXYLNSA-N 1 1 422.529 2.309 40 0 HEABMO Cn1nccc1C[N@H+]1CC[C@H](c2c3cccnc3sc2C(=O)N2CCOCC2)C1 ZINC000019702746 569347506 /nfs/dbraw/zinc/34/75/06/569347506.db2.gz BLEHVOKLPKSDCB-HNNXBMFYSA-N 1 1 411.531 2.492 40 0 HEABMO C[NH+]1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)CC1 ZINC000034849367 569351572 /nfs/dbraw/zinc/35/15/72/569351572.db2.gz WNFFXPLCTSETSW-ZDUSSCGKSA-N 1 1 420.362 2.168 40 0 HEABMO C[N@H+]1[C@@H]2CCN(Cc3cccc(Cl)c3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)N1CCCC1 ZINC000035442384 291205524 /nfs/dbraw/zinc/20/55/24/291205524.db2.gz ZZXCDWXLSICIAX-ZVDOUQERSA-N 1 1 418.969 2.116 40 0 biogenic,in-vitro HEABMO COc1ccccc1C[NH+]1CCC(O)(c2csc(CN3CC[C@@H](O)C3)n2)CC1 ZINC000225422241 291209683 /nfs/dbraw/zinc/20/96/83/291209683.db2.gz DCWYSNSJVBDBRD-QGZVFWFLSA-N 1 1 403.548 2.202 40 0 biogenic,in-vitro HEABMO Cc1cccnc1C1(O)[C@@H]2CCC[C@H]1C[N@H+](Cc1cnc(N3CCOCC3)nc1)C2 ZINC000012135238 132354738 /nfs/dbraw/zinc/35/47/38/132354738.db2.gz WKUNVVSDRZZSRZ-DETIRCLXSA-N 1 1 409.534 2.136 40 0 HEABMO COc1ccc(C[NH+]2CCN(c3ccccc3[C@H](O)c3nccn3C)CC2)cc1CO ZINC000012143368 132354951 /nfs/dbraw/zinc/35/49/51/132354951.db2.gz CUXDTVODOBQTPJ-QHCPKHFHSA-N 1 1 422.529 2.325 40 0 HEABMO CC[NH+]1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)CC1 ZINC000035240147 557639366 /nfs/dbraw/zinc/63/93/66/557639366.db2.gz FDOWZSBIESHLKE-UHFFFAOYSA-N 1 1 417.531 2.339 40 0 HEABMO COc1cccc(CNC(=O)c2cnc([C@@H]3CC[N@@H+](Cc4cnn(C)c4)C3)nc2C)c1 ZINC000019753830 558273104 /nfs/dbraw/zinc/27/31/04/558273104.db2.gz SUIACDBANOTBHC-LJQANCHMSA-N 1 1 420.517 2.447 40 0 HEABMO CC[N@H+]1CCC[C@H]1CNC(=O)c1c(O)c(I)ccc1OC ZINC000022061339 558460789 /nfs/dbraw/zinc/46/07/89/558460789.db2.gz CANPFCFJURGKAX-JTQLQIEISA-N 1 1 404.248 2.220 40 0 in-man HEABMO Cc1ccc(C2(CN(CC[NH+](C)C)[C@H]3CS(=O)(=O)C[C@@H]3O)CCCCC2)cc1 ZINC000022026462 558458956 /nfs/dbraw/zinc/45/89/56/558458956.db2.gz XZXRQGSCOGNBPP-SFTDATJTSA-N 1 1 408.608 2.218 40 0 HEABMO CC[N@@H+]1CCC[C@H]1CNC(=O)c1c(O)c(I)ccc1OC ZINC000022061339 558460787 /nfs/dbraw/zinc/46/07/87/558460787.db2.gz CANPFCFJURGKAX-JTQLQIEISA-N 1 1 404.248 2.220 40 0 in-man HEABMO COc1cc(CN2C[C@@H]3CCC[N@H+]3C[C@H]2Cc2ccccc2)ccc1OCC(N)=O ZINC000022915906 558521360 /nfs/dbraw/zinc/52/13/60/558521360.db2.gz SSBCTUJDIVAGGW-LEWJYISDSA-N 1 1 409.530 2.451 40 0 HEABMO O=C(C1CC1)N1CCCc2cc([C@H](O)C[NH+]3CCN(c4cnccn4)CC3)ccc21 ZINC000036741236 558802095 /nfs/dbraw/zinc/80/20/95/558802095.db2.gz DSKWZADYGFNEKD-OAQYLSRUSA-N 1 1 407.518 2.021 40 0 HEABMO O=c1c2c(ccn1CCC[NH+]1CCOCC1)nc1ncnn1c2-c1ccc(Cl)cc1 ZINC000038828843 558816067 /nfs/dbraw/zinc/81/60/67/558816067.db2.gz KADFXUAPRVAKFV-UHFFFAOYSA-N 1 1 424.892 2.482 40 0 HEABMO COc1cc(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc(OC)c1OC ZINC000018217498 558833797 /nfs/dbraw/zinc/83/37/97/558833797.db2.gz CZVYQCHTOSSSSD-UHFFFAOYSA-N 1 1 400.475 2.475 40 0 HEABMO CC(C)[N@H+]1CCc2c(=O)[nH]c([C@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)nc2C1 ZINC000019448427 558887291 /nfs/dbraw/zinc/88/72/91/558887291.db2.gz ZATVJMHFWNYZKA-GOSISDBHSA-N 1 1 420.510 2.201 40 0 HEABMO CC(C)[N@H+]1CCc2nc([C@@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)[nH]c(=O)c2C1 ZINC000019448317 558887446 /nfs/dbraw/zinc/88/74/46/558887446.db2.gz RGXDEQVYBUPWCS-SFHVURJKSA-N 1 1 420.510 2.201 40 0 HEABMO C[C@@H]1C[C@H]1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccncc1)C2 ZINC000019463393 558894384 /nfs/dbraw/zinc/89/43/84/558894384.db2.gz GQEJABFVPSXWEN-XFQXTVEOSA-N 1 1 407.518 2.433 40 0 HEABMO C[C@@H]1C[C@H]1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1ccncc1)C2 ZINC000019463393 558894385 /nfs/dbraw/zinc/89/43/85/558894385.db2.gz GQEJABFVPSXWEN-XFQXTVEOSA-N 1 1 407.518 2.433 40 0 HEABMO COCc1ccc(OC)c(C[N@H+]2CCC[C@@H](Cn3nnc(-c4cnccn4)n3)C2)c1 ZINC000019594353 558945386 /nfs/dbraw/zinc/94/53/86/558945386.db2.gz TVFFWCCRRHWGKZ-QGZVFWFLSA-N 1 1 409.494 2.197 40 0 HEABMO CNc1nc([C@@H]2CCC[N@@H+](C)C2)nc2c1CCN(S(=O)(=O)c1ccccc1)C2 ZINC000019708712 558970993 /nfs/dbraw/zinc/97/09/93/558970993.db2.gz ACEMXKJWBCQOJY-OAHLLOKOSA-N 1 1 401.536 2.075 40 0 HEABMO Cc1ccc(OCC(=O)N2CCC3(CO[C@@H](C[N@H+]4CCC[C@H](O)C4)C3)CC2)cc1 ZINC000585104837 559027351 /nfs/dbraw/zinc/02/73/51/559027351.db2.gz UCSCGMGEPVRNBP-PZJWPPBQSA-N 1 1 402.535 2.228 40 0 HEABMO CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000585106205 559028486 /nfs/dbraw/zinc/02/84/86/559028486.db2.gz DOSUUSAKNNGWNS-RLLQIKCJSA-N 1 1 419.591 2.385 40 0 HEABMO Cc1ccc(S(=O)(=O)N2CCC3(CC2)NC(=O)[C@@H]2C[N@H+](CCC(C)C)C[C@@H]23)cc1 ZINC000585106232 559028583 /nfs/dbraw/zinc/02/85/83/559028583.db2.gz XVHFGYKNPJHVJL-UXHICEINSA-N 1 1 419.591 2.242 40 0 HEABMO CCN1C[C@]2(CC1=O)CN(C(=O)Nc1ccccc1)CC[N@H+](Cc1cnn(C)c1)C2 ZINC000096036255 559089907 /nfs/dbraw/zinc/08/99/07/559089907.db2.gz XEBOWBSTNMRGEO-JOCHJYFZSA-N 1 1 410.522 2.008 40 0 HEABMO CCN1C[C@]2(CC1=O)CN(C(=O)Nc1ccccc1)CC[N@@H+](Cc1cnn(C)c1)C2 ZINC000096036255 559089909 /nfs/dbraw/zinc/08/99/09/559089909.db2.gz XEBOWBSTNMRGEO-JOCHJYFZSA-N 1 1 410.522 2.008 40 0 HEABMO COCCN1[C@H]2CC[N@H+](Cc3ccccn3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC000096145799 559097519 /nfs/dbraw/zinc/09/75/19/559097519.db2.gz IRRRLZDXGRCKGL-OALUTQOASA-N 1 1 417.531 2.144 40 0 HEABMO COCCN1[C@H]2CC[N@@H+](Cc3ccccn3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC000096145799 559097520 /nfs/dbraw/zinc/09/75/20/559097520.db2.gz IRRRLZDXGRCKGL-OALUTQOASA-N 1 1 417.531 2.144 40 0 HEABMO COc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2cccc(CN3CCOCC3)c2)cc1 ZINC000585271726 559117660 /nfs/dbraw/zinc/11/76/60/559117660.db2.gz GWCVDQKYROFAOP-NRFANRHFSA-N 1 1 400.519 2.399 40 0 HEABMO COCC(=O)N1CC[N@H+](C2CCCCC2)C[C@@](O)(COc2cccc(F)c2F)C1 ZINC000585287584 559123180 /nfs/dbraw/zinc/12/31/80/559123180.db2.gz PCYGHAOWODELOC-NRFANRHFSA-N 1 1 412.477 2.198 40 0 HEABMO CC(C)C[N@H+]1C[C@@H]2C(=O)N(C)C3(CCN(C(=O)NCCc4ccccc4)CC3)[C@@H]2C1 ZINC000107180185 559164780 /nfs/dbraw/zinc/16/47/80/559164780.db2.gz XFESUBZRGURVNJ-LEWJYISDSA-N 1 1 412.578 2.449 40 0 HEABMO CC[NH+]1CCN(C(=S)c2cc(I)c(O)c(OC)c2)CC1 ZINC000006953487 559229390 /nfs/dbraw/zinc/22/93/90/559229390.db2.gz XFGSENYGJFWJPK-UHFFFAOYSA-N 1 1 406.289 2.318 40 0 HEABMO C[NH+]1CCN(N2CN=C3N[C@@H]([C@H]4CC=CCC4)n4c5ccccc5nc4N3C2)CC1 ZINC000019171501 560872363 /nfs/dbraw/zinc/87/23/63/560872363.db2.gz ZGZGYXPDSCPVNJ-FXAWDEMLSA-N 1 1 406.538 2.050 40 0 HEABMO COc1ccc([C@H](c2nnnn2Cc2ccccc2)N2CC[NH+](C)CC2)cc1OC ZINC000019589851 560873898 /nfs/dbraw/zinc/87/38/98/560873898.db2.gz OSYOEAHOMLJJLO-OAQYLSRUSA-N 1 1 408.506 2.075 40 0 HEABMO CN(c1ccc(C(=O)NCCC[NH+]2CCOCC2)cc1)S(=O)(=O)c1cccs1 ZINC000218797702 568483816 /nfs/dbraw/zinc/48/38/16/568483816.db2.gz RIERPEXNGVPDIM-UHFFFAOYSA-N 1 1 423.560 2.025 40 0 HEABMO CN(CCCC(=O)N1CC[NH+](Cc2ccccc2)CC1)S(=O)(=O)c1ccccc1 ZINC000219713404 568497612 /nfs/dbraw/zinc/49/76/12/568497612.db2.gz YTHITVBWEVOLCT-UHFFFAOYSA-N 1 1 415.559 2.432 40 0 HEABMO COc1cc2oc3ccccc3c2cc1NC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000020528725 568625828 /nfs/dbraw/zinc/62/58/28/568625828.db2.gz XQVHZSVHMIVCGV-UHFFFAOYSA-N 1 1 411.458 2.372 40 0 HEABMO CNc1nc([C@H]2CCN(S(=O)(=O)c3ccc(C)c(C)c3)C2)nc2c1CC[N@H+](C)C2 ZINC000257317320 568809390 /nfs/dbraw/zinc/80/93/90/568809390.db2.gz VJHPHEQHIVKZQA-INIZCTEOSA-N 1 1 415.563 2.301 40 0 HEABMO CNc1nc([C@H]2CCN(S(=O)(=O)c3ccc(C)c(C)c3)C2)nc2c1CC[N@@H+](C)C2 ZINC000257317320 568809391 /nfs/dbraw/zinc/80/93/91/568809391.db2.gz VJHPHEQHIVKZQA-INIZCTEOSA-N 1 1 415.563 2.301 40 0 HEABMO Cc1nc(C)c(C[N@H+]2CCOC[C@]3(CC[C@@H](CNC(=O)c4cccnc4)O3)C2)s1 ZINC000306124564 568887661 /nfs/dbraw/zinc/88/76/61/568887661.db2.gz BTPXMZVFIMXXJX-RXVVDRJESA-N 1 1 416.547 2.335 40 0 HEABMO Cc1ccc(C[N@H+]2C[C@@H]3Cn4c(nn(Cc5ccc(C)cc5)c(=O)c4=O)[C@@H]3C2)s1 ZINC000306125449 568888278 /nfs/dbraw/zinc/88/82/78/568888278.db2.gz CRFJFHMVYDEZMU-IEBWSBKVSA-N 1 1 408.527 2.361 40 0 HEABMO O=C(NCCC[NH+]1CCOCC1)c1nc(-c2ccnn2C2CCCC2)n2ccncc12 ZINC000306128115 568890968 /nfs/dbraw/zinc/89/09/68/568890968.db2.gz GQHLYUIDZHHANQ-UHFFFAOYSA-N 1 1 423.521 2.160 40 0 HEABMO COCCN1C[C@]2(CC[N@H+](Cc3cccs3)C2)Oc2ccccc2S1(=O)=O ZINC000306129758 568892339 /nfs/dbraw/zinc/89/23/39/568892339.db2.gz IMALMKBTGMRSID-LJQANCHMSA-N 1 1 408.545 2.422 40 0 HEABMO COCCN1C[C@]2(CC[N@@H+](Cc3cccs3)C2)Oc2ccccc2S1(=O)=O ZINC000306129758 568892340 /nfs/dbraw/zinc/89/23/40/568892340.db2.gz IMALMKBTGMRSID-LJQANCHMSA-N 1 1 408.545 2.422 40 0 HEABMO Cn1cncc1CNc1ncc2c(n1)[C@]1(CC[N@@H+](Cc3cccc(O)c3)C1)COC2 ZINC000306136504 568898404 /nfs/dbraw/zinc/89/84/04/568898404.db2.gz PVINOZVNJXGORA-QFIPXVFZSA-N 1 1 406.490 2.202 40 0 HEABMO CNc1ncc2c(n1)C1(CC[NH+](Cc3cccc(Cl)c3)CC1)CN(C)S2(=O)=O ZINC000306137803 568899673 /nfs/dbraw/zinc/89/96/73/568899673.db2.gz RGWVVMVDQAAYFV-UHFFFAOYSA-N 1 1 421.954 2.340 40 0 HEABMO Cc1cccc(C[N@H+]2CC[C@@]3(C2)Cn2c(=O)c(=O)n(CC4CCCCC4)nc2CO3)c1 ZINC000306140489 568902382 /nfs/dbraw/zinc/90/23/82/568902382.db2.gz UUVNDVYLHYWSQU-XMMPIXPASA-N 1 1 424.545 2.469 40 0 HEABMO CCn1cc(C[N@@H+]2C[C@@H]3Cc4nnc(C(=O)Nc5ccc(OC)cc5)n4C[C@@H]3C2)cn1 ZINC000306141002 568902701 /nfs/dbraw/zinc/90/27/01/568902701.db2.gz VIOAYHMBZPQWRT-IRXDYDNUSA-N 1 1 421.505 2.060 40 0 HEABMO CN1CC[N@@H+](Cc2ccccc2)C[C@H]1c1nnc2ccc(C(=O)N3CCCC3)cn21 ZINC000306143711 568905205 /nfs/dbraw/zinc/90/52/05/568905205.db2.gz YKCYLQGNZHABIU-FQEVSTJZSA-N 1 1 404.518 2.454 40 0 HEABMO C[N@H+]1C[C@H](C(=O)NCc2ccc(F)cc2)OC2(CCN(C(=O)c3ccco3)CC2)C1 ZINC000306144661 568906158 /nfs/dbraw/zinc/90/61/58/568906158.db2.gz ZLKATQAKCHGKLR-LJQANCHMSA-N 1 1 415.465 2.041 40 0 HEABMO CNC(=O)c1ccc(-c2ccc([C@H]3CN(c4cc(C)[nH+]c(C)n4)CCO3)nc2)cn1 ZINC000019693533 569346484 /nfs/dbraw/zinc/34/64/84/569346484.db2.gz OZWNRHCEMNDVFN-HXUWFJFHSA-N 1 1 404.474 2.488 40 0 HEABMO CNC(=O)[C@@]1(Cc2cc(C(C)C)no2)CC[N@@H+](Cc2ccnc(N3CCCC3)n2)C1 ZINC000019739197 569348707 /nfs/dbraw/zinc/34/87/07/569348707.db2.gz PZYMHAABEMWQAQ-JOCHJYFZSA-N 1 1 412.538 2.369 40 0 HEABMO CN(C)c1cc(CN(C)CC(=O)N2CCc3ccccc32)nc([C@H]2CCC[N@@H+]2C)n1 ZINC000019760091 569348881 /nfs/dbraw/zinc/34/88/81/569348881.db2.gz ORWFFVJTXINQMR-HXUWFJFHSA-N 1 1 408.550 2.330 40 0 HEABMO CN(C)c1cc(CN(C)CC(=O)N2CCc3ccccc32)nc([C@H]2CCC[N@H+]2C)n1 ZINC000019760091 569348882 /nfs/dbraw/zinc/34/88/82/569348882.db2.gz ORWFFVJTXINQMR-HXUWFJFHSA-N 1 1 408.550 2.330 40 0 HEABMO C[NH+]1CCN(Cc2nc(C3(O)CCN(C(=O)C4CCCCC4)CC3)cs2)CC1 ZINC000225472772 291205463 /nfs/dbraw/zinc/20/54/63/291205463.db2.gz LTYDKNZOPBPQIG-UHFFFAOYSA-N 1 1 406.596 2.281 40 0 biogenic,in-vitro HEABMO Cn1c2ccc(S(=O)(=O)NCCC[N@H+]3CCc4ccccc4C3)cc2sc1=O ZINC000225682707 527104170 /nfs/dbraw/zinc/10/41/70/527104170.db2.gz UIVYQUZFEUQXHS-UHFFFAOYSA-N 1 1 417.556 2.327 40 0 HEABMO CCOc1ccc(N2C(=O)C[C@H]([NH+]3CCC(CCN4CCCC4=O)CC3)C2=O)cc1 ZINC000001441908 557264891 /nfs/dbraw/zinc/26/48/91/557264891.db2.gz RRBYGOCRFKQMCA-FQEVSTJZSA-N 1 1 413.518 2.442 40 0 HEABMO CC[NH+]1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)CC1 ZINC000408533961 557319313 /nfs/dbraw/zinc/31/93/13/557319313.db2.gz RNTHQPAXCVGWLX-UHFFFAOYSA-N 1 1 421.494 2.169 40 0 HEABMO CCNC(=O)OCC[NH+](CCOC(=O)NCC)CCc1cccc(OC)c1OC ZINC000005650411 557666675 /nfs/dbraw/zinc/66/66/75/557666675.db2.gz DMTROEWRTLJUEJ-UHFFFAOYSA-N 1 1 411.499 2.041 40 0 HEABMO CS(=O)(=O)N1CCCC[C@H]1C1CC[NH+](Cc2ccnc(N3CCCC3)n2)CC1 ZINC000019747017 558266688 /nfs/dbraw/zinc/26/66/88/558266688.db2.gz RCPQFKJQPMTZPC-IBGZPJMESA-N 1 1 407.584 2.103 40 0 HEABMO Cc1nn(CC(C)C)cc1S(=O)(=O)N1CCC(Cc2cc(N)nc(C)[nH+]2)CC1 ZINC000019758816 558275419 /nfs/dbraw/zinc/27/54/19/558275419.db2.gz VAMVELGWEIDKFH-UHFFFAOYSA-N 1 1 406.556 2.172 40 0 HEABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000020111501 558336117 /nfs/dbraw/zinc/33/61/17/558336117.db2.gz HPNHYZRAYYSISA-UHFFFAOYSA-N 1 1 416.478 2.402 40 0 HEABMO O=c1[nH]c2ccc(S(=O)(=O)NC[C@H](c3ccc(F)cc3)[NH+]3CCCC3)cc2[nH]1 ZINC000012239297 558359940 /nfs/dbraw/zinc/35/99/40/558359940.db2.gz VJFJNIULIKVWJP-GOSISDBHSA-N 1 1 404.467 2.111 40 0 HEABMO C[C@@H]1Cc2cc(C(=O)N3CC[NH+](C)CC3)ccc2N1S(=O)(=O)c1ccc(F)cc1 ZINC000020449674 558364807 /nfs/dbraw/zinc/36/48/07/558364807.db2.gz XDMJOTNSBXNXHL-OAHLLOKOSA-N 1 1 417.506 2.353 40 0 HEABMO C[C@H]1Cc2cc(C(=O)N3CC[NH+](C)CC3)ccc2N1S(=O)(=O)c1ccc(F)cc1 ZINC000020449676 558364839 /nfs/dbraw/zinc/36/48/39/558364839.db2.gz XDMJOTNSBXNXHL-HNNXBMFYSA-N 1 1 417.506 2.353 40 0 HEABMO C[C@@H](c1ccc(F)cc1)[N@H+]1C[C@H](C(=O)N(C)C)[C@@]2(C1)COc1ccccc1C(=O)N2 ZINC000072334346 558935358 /nfs/dbraw/zinc/93/53/58/558935358.db2.gz CBUXAXLAIYBTRO-FCORRRHLSA-N 1 1 411.477 2.468 40 0 HEABMO COCCC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccncc1)C2 ZINC000019593167 558944023 /nfs/dbraw/zinc/94/40/23/558944023.db2.gz MFBKLTCZPKXNSH-IBGZPJMESA-N 1 1 411.506 2.226 40 0 HEABMO COCCC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1ccncc1)C2 ZINC000019593167 558944025 /nfs/dbraw/zinc/94/40/25/558944025.db2.gz MFBKLTCZPKXNSH-IBGZPJMESA-N 1 1 411.506 2.226 40 0 HEABMO COCCC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccncc1)C2 ZINC000019593166 558944107 /nfs/dbraw/zinc/94/41/07/558944107.db2.gz MFBKLTCZPKXNSH-LJQANCHMSA-N 1 1 411.506 2.226 40 0 HEABMO COCCC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1ccncc1)C2 ZINC000019593166 558944110 /nfs/dbraw/zinc/94/41/10/558944110.db2.gz MFBKLTCZPKXNSH-LJQANCHMSA-N 1 1 411.506 2.226 40 0 HEABMO CNc1nc([C@H]2CCCN(C(=O)Cc3ccc(OC)cc3)C2)nc2c1CC[N@H+](C)C2 ZINC000072380197 558968269 /nfs/dbraw/zinc/96/82/69/558968269.db2.gz IEPJESLRTUYHTJ-KRWDZBQOSA-N 1 1 409.534 2.464 40 0 HEABMO CNc1nc([C@H]2CCCN(C(=O)Cc3ccc(OC)cc3)C2)nc2c1CC[N@@H+](C)C2 ZINC000072380197 558968272 /nfs/dbraw/zinc/96/82/72/558968272.db2.gz IEPJESLRTUYHTJ-KRWDZBQOSA-N 1 1 409.534 2.464 40 0 HEABMO COc1ncc([C@]2(O)CC[C@H]3C[N@@H+](Cc4c[nH]nc4C(C)(C)C)C[C@H]32)c(OC)n1 ZINC000072392640 558972487 /nfs/dbraw/zinc/97/24/87/558972487.db2.gz YKTAUYLGHYNCSW-CQURBHOASA-N 1 1 401.511 2.244 40 0 HEABMO Cc1c(C)c(N)c(C[N@H+]2CC[C@H](c3cc(=O)[nH]c(N4CCOCC4)n3)C2)cc1Cl ZINC000072394678 558973602 /nfs/dbraw/zinc/97/36/02/558973602.db2.gz OXXQRBSRNQHAEN-HNNXBMFYSA-N 1 1 417.941 2.448 40 0 HEABMO Cc1c(C)c(N)c(C[N@H+]2CC[C@@H](c3cc(=O)[nH]c(N4CCOCC4)n3)C2)cc1Cl ZINC000072394679 558973611 /nfs/dbraw/zinc/97/36/11/558973611.db2.gz OXXQRBSRNQHAEN-OAHLLOKOSA-N 1 1 417.941 2.448 40 0 HEABMO COc1ccc(OC)c(C(=O)N2CCC[C@]3(CC[N@@H+]3CC(=O)N3CCCC3)C2)c1 ZINC000585101739 559024755 /nfs/dbraw/zinc/02/47/55/559024755.db2.gz CVNCHIZTGFHBEF-QFIPXVFZSA-N 1 1 401.507 2.007 40 0 HEABMO COc1ccc(OC)c(C(=O)N2CCC[C@]3(CC[N@H+]3CC(=O)N3CCCC3)C2)c1 ZINC000585101739 559024757 /nfs/dbraw/zinc/02/47/57/559024757.db2.gz CVNCHIZTGFHBEF-QFIPXVFZSA-N 1 1 401.507 2.007 40 0 HEABMO Cc1nc(C)c(C(=O)N2CCC3(CO[C@H](C[N@@H+]4CC[C@@H](C)[C@H](O)C4)C3)CC2)s1 ZINC000585103684 559025805 /nfs/dbraw/zinc/02/58/05/559025805.db2.gz IDPGHYBOEUDZNS-FHLIZLRMSA-N 1 1 407.580 2.474 40 0 HEABMO Cc1ccc(OCC(=O)N2CCC3(CO[C@H](C[N@H+]4CCC[C@H](O)C4)C3)CC2)cc1 ZINC000585104836 559027327 /nfs/dbraw/zinc/02/73/27/559027327.db2.gz UCSCGMGEPVRNBP-FPOVZHCZSA-N 1 1 402.535 2.228 40 0 HEABMO CN(C)c1ccc(CC(=O)N2CCC3(CO[C@@H](C[NH+]4CCOCC4)C3)CC2)cc1 ZINC000585104823 559027332 /nfs/dbraw/zinc/02/73/32/559027332.db2.gz TVQQPYIYNTZHIL-OAQYLSRUSA-N 1 1 401.551 2.025 40 0 HEABMO Cc1ccc(OCC(=O)N2CCC3(CO[C@@H](C[N@@H+]4CC[C@@H](C)[C@H](O)C4)C3)CC2)cc1 ZINC000585104906 559027481 /nfs/dbraw/zinc/02/74/81/559027481.db2.gz WRJMJZWEJXRENH-CEMLEFRQSA-N 1 1 416.562 2.474 40 0 HEABMO O=C(c1ccc2c(c1)CCO2)N1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](CC3CCCC3)C[C@@H]12 ZINC000585106272 559028663 /nfs/dbraw/zinc/02/86/63/559028663.db2.gz KNKMPAOFWWYHBI-RTWAWAEBSA-N 1 1 423.557 2.464 40 0 HEABMO CCN1C(=O)[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2C12CCN(C(=O)c1ccncc1)CC2 ZINC000096143629 559096054 /nfs/dbraw/zinc/09/60/54/559096054.db2.gz HQXIJEOGVDTPRU-LEWJYISDSA-N 1 1 419.529 2.062 40 0 HEABMO COCC[N@H+]1CC2(CCN(C(=O)c3ccc(Cl)cc3)CC2)[C@]2(CCNC2=O)C1 ZINC000096144167 559096520 /nfs/dbraw/zinc/09/65/20/559096520.db2.gz YWQTZXFGNFCFMV-OAQYLSRUSA-N 1 1 405.926 2.031 40 0 HEABMO CN1CC[N@@H+](CC2CC2)C[C@@H]1c1nnc2ccc(C(=O)NCCc3ccccc3)cn21 ZINC000096156612 559100593 /nfs/dbraw/zinc/10/05/93/559100593.db2.gz UZVMQVVDRNKCFV-OAQYLSRUSA-N 1 1 418.545 2.400 40 0 HEABMO CCN1CC[C@@]2(C[N@@H+](CCOC)CC23CCN(C(=O)c2ccoc2C)CC3)C1=O ZINC000096262789 559106731 /nfs/dbraw/zinc/10/67/31/559106731.db2.gz AYRFBYNDUZETSB-JOCHJYFZSA-N 1 1 403.523 2.011 40 0 HEABMO COCC[N@H+]1CC[C@@H](c2nnc3ccc(C(=O)NCc4cccc(OC)c4)cn32)C1 ZINC000096267479 559108224 /nfs/dbraw/zinc/10/82/24/559108224.db2.gz YPEKJGILYBMGDH-QGZVFWFLSA-N 1 1 409.490 2.104 40 0 HEABMO CCOc1ccccc1OC[C@H](O)C[N@@H+](C)Cc1ccc(OCCO)c(OC)c1 ZINC000585269597 559115196 /nfs/dbraw/zinc/11/51/96/559115196.db2.gz AKLYZSDYZRHMOK-GOSISDBHSA-N 1 1 405.491 2.337 40 0 HEABMO COCCOc1cc(C[N@@H+]2CC[C@@](O)(CN3CCC(F)(F)CC3)C2)ccc1OC ZINC000257210629 559282519 /nfs/dbraw/zinc/28/25/19/559282519.db2.gz BVNABARWBSWBMJ-HXUWFJFHSA-N 1 1 414.493 2.388 40 0 HEABMO COCCOc1cc(C[N@H+]2CC[C@@](O)(CN3CCC(F)(F)CC3)C2)ccc1OC ZINC000257210629 559282521 /nfs/dbraw/zinc/28/25/21/559282521.db2.gz BVNABARWBSWBMJ-HXUWFJFHSA-N 1 1 414.493 2.388 40 0 HEABMO C[N@@H+](Cc1ccc(OCCn2cccn2)cc1)C[C@]1(O)CCN(c2ccccn2)C1 ZINC000257326300 559283231 /nfs/dbraw/zinc/28/32/31/559283231.db2.gz WWRMRAHETUJIMJ-HSZRJFAPSA-N 1 1 407.518 2.430 40 0 HEABMO CC[NH+]1CCN(C(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000113937059 560806388 /nfs/dbraw/zinc/80/63/88/560806388.db2.gz OTYKUHUKRIZKGC-UHFFFAOYSA-N 1 1 405.495 2.185 40 0 HEABMO CC[NH+]1CCN([C@H](c2nnnn2Cc2ccccc2)c2ccc(OC)cc2OC)CC1 ZINC000019528038 560874716 /nfs/dbraw/zinc/87/47/16/560874716.db2.gz ZZBOKZPSWVGEPG-QFIPXVFZSA-N 1 1 422.533 2.466 40 0 HEABMO CN1CC[NH+](C[C@H](O)COc2ccc(Br)cc2Br)CC1 ZINC000022918092 560891146 /nfs/dbraw/zinc/89/11/46/560891146.db2.gz PJZYPJDCIBYRBD-LBPRGKRZSA-N 1 1 408.134 2.199 40 0 HEABMO CC[NH+]1CCN(C(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000023423229 568509720 /nfs/dbraw/zinc/50/97/20/568509720.db2.gz BPLLAWVSNNSOQA-UHFFFAOYSA-N 1 1 415.559 2.350 40 0 HEABMO NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCN1CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000257233485 568785808 /nfs/dbraw/zinc/78/58/08/568785808.db2.gz GPMLRZZLUIQXJG-GOSISDBHSA-N 1 1 420.435 2.316 40 0 HEABMO NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCN1CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000257233485 568785809 /nfs/dbraw/zinc/78/58/09/568785809.db2.gz GPMLRZZLUIQXJG-GOSISDBHSA-N 1 1 420.435 2.316 40 0 HEABMO CN1C(=O)C2(CCN(C(=O)C[N@@H+](C)C3CCCC3)CC2)C[C@@H](O)[C@@H]1c1ccccc1 ZINC000257292856 568802433 /nfs/dbraw/zinc/80/24/33/568802433.db2.gz QNFKNCFHEBAKFR-IRLDBZIGSA-N 1 1 413.562 2.434 40 0 HEABMO CNc1nc([C@H]2CCN(C(=O)CCc3ccccc3OC)C2)nc2c1CC[N@H+](C)C2 ZINC000257333191 568814030 /nfs/dbraw/zinc/81/40/30/568814030.db2.gz YAOIPNZEPPXHSO-KRWDZBQOSA-N 1 1 409.534 2.464 40 0 HEABMO CNc1nc([C@H]2CCN(C(=O)CCc3ccccc3OC)C2)nc2c1CC[N@@H+](C)C2 ZINC000257333191 568814031 /nfs/dbraw/zinc/81/40/31/568814031.db2.gz YAOIPNZEPPXHSO-KRWDZBQOSA-N 1 1 409.534 2.464 40 0 HEABMO COc1ccccc1C[NH+]1CCN(c2nccn3c(-c4cnn(C)c4)cnc23)CC1 ZINC000306125800 568888630 /nfs/dbraw/zinc/88/86/30/568888630.db2.gz DCSOBRARCKXJBI-UHFFFAOYSA-N 1 1 403.490 2.461 40 0 HEABMO COCCN1CC[C@]2(C[N@@H+](Cc3nccs3)C[C@@H]2c2cn(C(C)C)cn2)C1=O ZINC000306128329 568891239 /nfs/dbraw/zinc/89/12/39/568891239.db2.gz GXJPQWJAFYEERE-OXQOHEQNSA-N 1 1 403.552 2.385 40 0 HEABMO Cn1cc(C[N@H+]2C[C@@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccsc2)C3=O)cn1 ZINC000306129747 568892323 /nfs/dbraw/zinc/89/23/23/568892323.db2.gz ILNYPYIGQQHAJV-UNMCSNQZSA-N 1 1 423.542 2.274 40 0 HEABMO O=C1N(Cc2ccncc2)CCO[C@]12C[N@@H+](Cc1ccco1)C[C@H]2c1cccnc1 ZINC000306132793 568895142 /nfs/dbraw/zinc/89/51/42/568895142.db2.gz LSEZDQOYRQUHQK-GMAHTHKFSA-N 1 1 404.470 2.467 40 0 HEABMO COc1ncccc1C[N@@H+]1C[C@H]2Cc3nnc(C(=O)Nc4cccc(F)c4)n3C[C@@H]2C1 ZINC000306134115 568896107 /nfs/dbraw/zinc/89/61/07/568896107.db2.gz NDVMTIMHTZSRTC-CVEARBPZSA-N 1 1 422.464 2.377 40 0 HEABMO COc1ncccc1C[N@H+]1C[C@@H]2Cn3c(nnc3C(=O)Nc3ccccc3)C[C@@H]2C1 ZINC000306134894 568896752 /nfs/dbraw/zinc/89/67/52/568896752.db2.gz OAXNZVPTDXQVMK-IAGOWNOFSA-N 1 1 404.474 2.238 40 0 HEABMO COc1ncccc1C[N@@H+]1C[C@@H]2Cc3nnc(C(=O)Nc4ccccc4)n3C[C@H]2C1 ZINC000306134893 568896835 /nfs/dbraw/zinc/89/68/35/568896835.db2.gz OAXNZVPTDXQVMK-DLBZAZTESA-N 1 1 404.474 2.238 40 0 HEABMO Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@]32CC[N@@H+](Cc3cccc(C)c3)C2)cs1 ZINC000306135482 568897146 /nfs/dbraw/zinc/89/71/46/568897146.db2.gz OSGGDCUMXZOMAZ-QFIPXVFZSA-N 1 1 423.542 2.074 40 0 HEABMO CCn1cc(C[N@@H+]2C[C@@H]3Cc4nnc(C(=O)Nc5cccc(F)c5)n4C[C@@H]3C2)cn1 ZINC000306138373 568900477 /nfs/dbraw/zinc/90/04/77/568900477.db2.gz RWBDCQSKOVOPAW-HOTGVXAUSA-N 1 1 409.469 2.190 40 0 HEABMO Cc1ccc(CNC(=O)[C@@H]2CN(C)CC3(CC[NH+](Cc4cccnc4)CC3)O2)cc1 ZINC000306142508 568904019 /nfs/dbraw/zinc/90/40/19/568904019.db2.gz XBDDGWADJYUSQO-QFIPXVFZSA-N 1 1 408.546 2.372 40 0 HEABMO C[N@H+]1[C@@H]2CCN(Cc3ccccc3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)Nc1ccccc1 ZINC000035442474 291205674 /nfs/dbraw/zinc/20/56/74/291205674.db2.gz HBYCCWNJWBHDBV-XJUOHMSHSA-N 1 1 406.530 2.479 40 0 biogenic,in-vitro HEABMO CN1[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)Nc1ccccc1 ZINC000035442474 291205675 /nfs/dbraw/zinc/20/56/75/291205675.db2.gz HBYCCWNJWBHDBV-XJUOHMSHSA-N 1 1 406.530 2.479 40 0 biogenic,in-vitro HEABMO CN1[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)Nc1ccccc1 ZINC000035442474 291205676 /nfs/dbraw/zinc/20/56/76/291205676.db2.gz HBYCCWNJWBHDBV-XJUOHMSHSA-N 1 1 406.530 2.479 40 0 biogenic,in-vitro HEABMO COc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@@H+]2[C@@]32C(=O)Nc3ccc(F)cc32)c1 ZINC000100203928 557270416 /nfs/dbraw/zinc/27/04/16/557270416.db2.gz YGCDOUMFPHRBGL-CROMWVBPSA-N 1 1 421.428 2.266 40 0 HEABMO COc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@H+]2[C@@]32C(=O)Nc3ccc(F)cc32)c1 ZINC000100203928 557270420 /nfs/dbraw/zinc/27/04/20/557270420.db2.gz YGCDOUMFPHRBGL-CROMWVBPSA-N 1 1 421.428 2.266 40 0 HEABMO CC[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000408595489 557512998 /nfs/dbraw/zinc/51/29/98/557512998.db2.gz SAITXWOHZBIWTC-NRFANRHFSA-N 1 1 415.559 2.049 40 0 HEABMO CN(C)C(=O)C[N@H+]1CCCC[C@@H]1C1CCN(C(=O)c2ccc3nsnc3c2)CC1 ZINC000019746317 558266334 /nfs/dbraw/zinc/26/63/34/558266334.db2.gz MIPOHJUQZNPDQC-LJQANCHMSA-N 1 1 415.563 2.486 40 0 HEABMO Cc1[nH+]ccn1CCC(=O)N1CCC[C@H](N(C)S(=O)(=O)c2cccc(F)c2)CC1 ZINC000019749698 558269516 /nfs/dbraw/zinc/26/95/16/558269516.db2.gz CYMHLOHBQZJCJF-SFHVURJKSA-N 1 1 422.526 2.423 40 0 HEABMO CC[NH+]1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)CC1 ZINC000016681500 558799225 /nfs/dbraw/zinc/79/92/25/558799225.db2.gz BCUJMOUPJDFAKJ-UHFFFAOYSA-N 1 1 417.531 2.339 40 0 HEABMO c1ccc(C[N@@H+]2CCc3c(nc(N4CCOCC4)nc3N3CCSCC3)C2)cc1 ZINC000019372383 558879550 /nfs/dbraw/zinc/87/95/50/558879550.db2.gz VGCFOVIZKQUZRN-UHFFFAOYSA-N 1 1 411.575 2.425 40 0 HEABMO c1ccc(C[N@H+]2CCc3c(nc(N4CCOCC4)nc3N3CCSCC3)C2)cc1 ZINC000019372383 558879551 /nfs/dbraw/zinc/87/95/51/558879551.db2.gz VGCFOVIZKQUZRN-UHFFFAOYSA-N 1 1 411.575 2.425 40 0 HEABMO O=S(=O)(c1ccccc1F)N1C[C@H]2CCC[N@H+]2C[C@@H]1Cn1nnc2ccccc21 ZINC000019376718 558882745 /nfs/dbraw/zinc/88/27/45/558882745.db2.gz JEFGUQIDXKWKJY-HZPDHXFCSA-N 1 1 415.494 2.108 40 0 HEABMO NC(=O)[C@@H]1CCC[N@@H+](Cc2c3nccnc3[nH]c2C2CCN(C(=O)C3CCC3)CC2)C1 ZINC000019404235 558884449 /nfs/dbraw/zinc/88/44/49/558884449.db2.gz FLGIFGGADWBSHC-QGZVFWFLSA-N 1 1 424.549 2.161 40 0 HEABMO CC(C)[C@@H](NC(=O)c1ccc2ncccc2c1)c1cc(=O)[nH]c(N2CC[NH+](C)CC2)n1 ZINC000019445527 558885541 /nfs/dbraw/zinc/88/55/41/558885541.db2.gz UOULZHLEOCKYHC-OAQYLSRUSA-N 1 1 420.517 2.197 40 0 HEABMO CC(C)[N@H+]1CCc2nc([C@H]3CCCN3C(=O)Cc3ccc4c(c3)OCO4)[nH]c(=O)c2C1 ZINC000019448267 558887058 /nfs/dbraw/zinc/88/70/58/558887058.db2.gz DCSGIIBQZBOWIM-GOSISDBHSA-N 1 1 424.501 2.171 40 0 HEABMO CCCc1ncc(C[NH+]2CCC(O)(Cn3nc(-c4cccs4)oc3=O)CC2)cn1 ZINC000019525731 558907304 /nfs/dbraw/zinc/90/73/04/558907304.db2.gz VDWFRLFFRUUXQQ-UHFFFAOYSA-N 1 1 415.519 2.334 40 0 HEABMO CNC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)C[N@H+](Cc2cnn(C)c2C)CCO1 ZINC000019553741 558916743 /nfs/dbraw/zinc/91/67/43/558916743.db2.gz PGXJOUGZZFEXQB-XMMPIXPASA-N 1 1 419.529 2.350 40 0 HEABMO CNC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)C[N@@H+](Cc2cnn(C)c2C)CCO1 ZINC000019553741 558916746 /nfs/dbraw/zinc/91/67/46/558916746.db2.gz PGXJOUGZZFEXQB-XMMPIXPASA-N 1 1 419.529 2.350 40 0 HEABMO Cc1cc(-c2cc(=O)n(CC(=O)N3CCC[N@H+](C)CC3)nc2-c2cccs2)on1 ZINC000072337282 558937652 /nfs/dbraw/zinc/93/76/52/558937652.db2.gz LTAIRCPFGMNBBV-UHFFFAOYSA-N 1 1 413.503 2.099 40 0 HEABMO O=c1ccc(C2CC2)nn1CC1(O)C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc2c(c1)OCCO2 ZINC000072394969 558973732 /nfs/dbraw/zinc/97/37/32/558973732.db2.gz FPDBNVBGLJFXDQ-QRQCMCJISA-N 1 1 423.513 2.450 40 0 HEABMO Cn1ccc(CC(=O)N2CCO[C@@H](c3[nH+]cn4cc(-c5cccnc5)ccc34)C2)n1 ZINC000585113139 559030970 /nfs/dbraw/zinc/03/09/70/559030970.db2.gz KDSZXVCOKBVZBM-HXUWFJFHSA-N 1 1 402.458 2.272 40 0 HEABMO COC(=O)[C@@]1(C)C[C@H]([N@@H+](C)Cc2ccccc2)CCN1C(=O)c1cccn(C)c1=O ZINC000585113249 559031195 /nfs/dbraw/zinc/03/11/95/559031195.db2.gz TWLBDFAUOIGKCB-WZONZLPQSA-N 1 1 411.502 2.054 40 0 HEABMO CC(C)CC[N@@H+]1C[C@@H]2c3nc(NCc4ccccn4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC000096252110 559105697 /nfs/dbraw/zinc/10/56/97/559105697.db2.gz GAIAKPYYGOYXEB-ZWKOTPCHSA-N 1 1 401.536 2.226 40 0 HEABMO CC(C)CC[N@H+]1C[C@@H]2c3nc(NCc4ccccn4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC000096252110 559105699 /nfs/dbraw/zinc/10/56/99/559105699.db2.gz GAIAKPYYGOYXEB-ZWKOTPCHSA-N 1 1 401.536 2.226 40 0 HEABMO CCN1CC[C@]2(C[N@@H+](CCOC)CC23CCN(C(=O)c2ccoc2C)CC3)C1=O ZINC000096262788 559106721 /nfs/dbraw/zinc/10/67/21/559106721.db2.gz AYRFBYNDUZETSB-QFIPXVFZSA-N 1 1 403.523 2.011 40 0 HEABMO CCN1CC[C@@]2(C[N@@H+](CCOC)CC23CCN(C(=O)c2ccsc2)CC3)C1=O ZINC000096262793 559106751 /nfs/dbraw/zinc/10/67/51/559106751.db2.gz TVAKIQMMKFIVLU-OAQYLSRUSA-N 1 1 405.564 2.171 40 0 HEABMO C[NH+](C)CCOc1cccc(CN2CC[C@H](O)[C@@](O)(COc3ccc(F)cc3)C2)c1 ZINC000585281799 559119550 /nfs/dbraw/zinc/11/95/50/559119550.db2.gz AURULTCFCDDOEF-GOTSBHOMSA-N 1 1 418.509 2.143 40 0 HEABMO COCC[N@H+]1CC2(CCN(C(=O)Nc3cccc(C)c3)CC2)[C@]2(CCNC2=O)C1 ZINC000107181697 559164724 /nfs/dbraw/zinc/16/47/24/559164724.db2.gz DWKSNQHCZCDCLM-JOCHJYFZSA-N 1 1 400.523 2.077 40 0 HEABMO CCc1ccccc1N(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)S(C)(=O)=O ZINC000044791277 559173203 /nfs/dbraw/zinc/17/32/03/559173203.db2.gz MAAXYBMYNNRRTD-UHFFFAOYSA-N 1 1 415.559 2.359 40 0 HEABMO COCCOc1cc(C[N@@H+](C)C[C@]2(O)CCN(c3ccccn3)C2)ccc1OC ZINC000257295498 559285767 /nfs/dbraw/zinc/28/57/67/559285767.db2.gz QYOPSYJBOYNZMQ-JOCHJYFZSA-N 1 1 401.507 2.189 40 0 HEABMO O=C(Cc1ccccc1)N1C[C@@H]2C[C@@H](O)C[N@H+]2C2(CN(C3CCC(F)(F)CC3)C2)C1 ZINC000514290297 560029674 /nfs/dbraw/zinc/02/96/74/560029674.db2.gz WNSLKGCEZAACFX-VQTJNVASSA-N 1 1 419.516 2.139 40 0 biogenic,in-vitro HEABMO O=C(Cc1ccccc1)N1C[C@@H]2C[C@@H](O)C[N@@H+]2C2(CN(C3CCC(F)(F)CC3)C2)C1 ZINC000514290297 560029675 /nfs/dbraw/zinc/02/96/75/560029675.db2.gz WNSLKGCEZAACFX-VQTJNVASSA-N 1 1 419.516 2.139 40 0 biogenic,in-vitro HEABMO CC(=O)N1CCC([N@H+]2C[C@@H]3[C@H](C2)Oc2ccc(C(F)(F)F)cc2C(=O)N3C)CC1 ZINC000514288674 560034546 /nfs/dbraw/zinc/03/45/46/560034546.db2.gz QHNGQBIEILBCJR-AEFFLSMTSA-N 1 1 411.424 2.234 40 0 biogenic,in-vitro HEABMO O=C(NCc1ccccc1)[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2Cn1cc(C2(O)CCCC2)nn1 ZINC000008299734 560108212 /nfs/dbraw/zinc/10/82/12/560108212.db2.gz NLBYNTMTPJRQBU-ZCNNSNEGSA-N 1 1 409.534 2.067 40 0 biogenic,in-vitro HEABMO C=C1[NH+]=C(SCC(=O)OC)N[C@H](c2ccc(OC)cc2OC)C1C(=O)OCC ZINC000408991649 560662327 /nfs/dbraw/zinc/66/23/27/560662327.db2.gz QUHNHWRIXSUWJP-QGZVFWFLSA-N 1 1 408.476 2.447 40 0 HEABMO CSc1nc2sc(C(=O)NCCC[NH+]3CCOCC3)cc2c(N2CCCC2)n1 ZINC000038280051 560859246 /nfs/dbraw/zinc/85/92/46/560859246.db2.gz JOEIAOYKOJKSSC-UHFFFAOYSA-N 1 1 421.592 2.466 40 0 HEABMO CCC[NH+]1CCN(C(=O)CSc2nnc(Cc3ccc(OC)c(OC)c3)o2)CC1 ZINC000020760032 568457963 /nfs/dbraw/zinc/45/79/63/568457963.db2.gz JCTVOKWLYLRZHA-UHFFFAOYSA-N 1 1 420.535 2.324 40 0 HEABMO C[NH+]1CCN(C(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000225845264 568680000 /nfs/dbraw/zinc/68/00/00/568680000.db2.gz ALSBARIDSVVGME-UHFFFAOYSA-N 1 1 419.934 2.479 40 0 HEABMO Cc1ccc(C)c(S(=O)(=O)N(CC(=O)N2CC[NH+](C)CC2)Cc2ccccc2)c1 ZINC000225938109 568687357 /nfs/dbraw/zinc/68/73/57/568687357.db2.gz IGWZLEZKXKDTNE-UHFFFAOYSA-N 1 1 415.559 2.268 40 0 HEABMO COc1ccc(C[N@@H+](C)C[C@]2(O)CCCN(C(=O)Cc3c(C)n[nH]c3C)CC2)cc1 ZINC000257208057 568778519 /nfs/dbraw/zinc/77/85/19/568778519.db2.gz BKMVSPWZEUOBQL-QHCPKHFHSA-N 1 1 414.550 2.453 40 0 HEABMO C[NH+]1CCN(C(=O)C[C@H]2CN(C(=O)c3ccccn3)CC[C@@H]2Oc2ccccc2)CC1 ZINC000257274660 568797022 /nfs/dbraw/zinc/79/70/22/568797022.db2.gz NLZXIURPBHTXMI-UGKGYDQZSA-N 1 1 422.529 2.155 40 0 HEABMO O=C1N(Cc2ccncc2)CCO[C@]12C[N@@H+](Cc1ccncc1)C[C@H]2c1cccnc1 ZINC000306123034 568886196 /nfs/dbraw/zinc/88/61/96/568886196.db2.gz ACWVAYMRIVOQMH-UPVQGACJSA-N 1 1 415.497 2.269 40 0 HEABMO O=C(c1ccsc1)N1CCN(C2=NO[C@H]3CC[N@@H+](Cc4ccco4)C[C@H]23)CC1 ZINC000306126658 568889482 /nfs/dbraw/zinc/88/94/82/568889482.db2.gz FBEQLFAISQOJGI-ROUUACIJSA-N 1 1 400.504 2.333 40 0 HEABMO O=C(c1ccsc1)N1CCN(C2=NO[C@@H]3CC[N@@H+](Cc4ccco4)C[C@H]23)CC1 ZINC000306126659 568889573 /nfs/dbraw/zinc/88/95/73/568889573.db2.gz FBEQLFAISQOJGI-ZWKOTPCHSA-N 1 1 400.504 2.333 40 0 HEABMO Cc1ccc(C[N@H+]2CC[C@]3(Cc4nn(Cc5ccccc5)c(=O)c(=O)n4C3)C2)s1 ZINC000306128588 568891356 /nfs/dbraw/zinc/89/13/56/568891356.db2.gz HFPZJKNXNRECBV-QFIPXVFZSA-N 1 1 408.527 2.272 40 0 HEABMO O=C1N(CC2CC2)CCO[C@]12C[N@@H+](Cc1ccc3c(c1)OCO3)C[C@@H]2c1cccnc1 ZINC000306130080 568892573 /nfs/dbraw/zinc/89/25/73/568892573.db2.gz IVVUCJFNOPQVCL-YKSBVNFPSA-N 1 1 421.497 2.417 40 0 HEABMO O=c1c(=O)n2c(nn1CC1CCCCC1)CO[C@]1(CC[N@@H+](Cc3ccsc3)C1)C2 ZINC000306132961 568895133 /nfs/dbraw/zinc/89/51/33/568895133.db2.gz LXPDAFYZVZBHSF-NRFANRHFSA-N 1 1 416.547 2.222 40 0 HEABMO COc1ccc(C[N@@H+]2C[C@@H]3[C@@H](C2)N(C(C)C)S(=O)(=O)c2cccnc2N3C)cc1 ZINC000306137101 568898879 /nfs/dbraw/zinc/89/88/79/568898879.db2.gz QLLILXHJJLMYCS-RTBURBONSA-N 1 1 416.547 2.192 40 0 HEABMO COc1ccc(C[N@H+]2C[C@@H]3[C@@H](C2)N(C(C)C)S(=O)(=O)c2cccnc2N3C)cc1 ZINC000306137101 568898882 /nfs/dbraw/zinc/89/88/82/568898882.db2.gz QLLILXHJJLMYCS-RTBURBONSA-N 1 1 416.547 2.192 40 0 HEABMO CCn1cc(C[N@H+]2C[C@@H]3Cn4c(nnc4C(=O)Nc4ccc(OC)cc4)C[C@@H]3C2)cn1 ZINC000306141001 568902793 /nfs/dbraw/zinc/90/27/93/568902793.db2.gz VIOAYHMBZPQWRT-IAGOWNOFSA-N 1 1 421.505 2.060 40 0 HEABMO COc1ncccc1C[N@H+]1C[C@@H](c2ccnn2C)[C@]2(C1)CCCN(CC1CC1)C2=O ZINC000306141303 568902955 /nfs/dbraw/zinc/90/29/55/568902955.db2.gz VRDXBTZDIDCGSQ-WMZHIEFXSA-N 1 1 409.534 2.442 40 0 HEABMO CC[NH+]1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3ccccc3)cc2C)CC1 ZINC000007361817 569337432 /nfs/dbraw/zinc/33/74/32/569337432.db2.gz UOYYWFTVJPICSM-UHFFFAOYSA-N 1 1 417.531 2.339 40 0 HEABMO CCCO[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](c3cc(=O)n4c(n3)CCCCC4)C2)C1 ZINC000019503768 569345695 /nfs/dbraw/zinc/34/56/95/569345695.db2.gz QLUOKWVKBBPIPS-RTBURBONSA-N 1 1 416.566 2.177 40 0 HEABMO COc1ccccc1CNC(=O)c1cc([C@@H]2CC[N@@H+](Cc3cn(C)nc3C)C2)n[nH]1 ZINC000019707683 569347988 /nfs/dbraw/zinc/34/79/88/569347988.db2.gz AUIGPGQQVACMCF-QGZVFWFLSA-N 1 1 408.506 2.380 40 0 HEABMO c1c(CC2([NH2+]Cc3ccncc3)COC2)noc1CN1CCN(c2ccccc2)CC1 ZINC000067898453 291214123 /nfs/dbraw/zinc/21/41/23/291214123.db2.gz FAJYBJYPVZDNJX-UHFFFAOYSA-N 1 1 419.529 2.493 40 0 biogenic,in-vitro HEABMO Cc1nc([C@H]2CCC[N@H+](CC(=O)N3CCC3)C2)nc2c1CC(=O)N2Cc1ccccc1 ZINC000019743692 558264255 /nfs/dbraw/zinc/26/42/55/558264255.db2.gz JUOZQIFWDKQUJO-IBGZPJMESA-N 1 1 419.529 2.286 40 0 HEABMO Cc1nc([C@H]2CCC[N@@H+](CC(=O)N3CCC3)C2)nc2c1CC(=O)N2Cc1ccccc1 ZINC000019743692 558264258 /nfs/dbraw/zinc/26/42/58/558264258.db2.gz JUOZQIFWDKQUJO-IBGZPJMESA-N 1 1 419.529 2.286 40 0 HEABMO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N3CC[NH+](C)CC3)cc2c1 ZINC000019826013 558291003 /nfs/dbraw/zinc/29/10/03/558291003.db2.gz MWCOMQTXFFEHFD-HXUWFJFHSA-N 1 1 407.522 2.275 40 0 HEABMO COc1cccc([C@H](c2nnnn2CCc2ccccc2)N2CC[NH+](C)CC2)c1OC ZINC000020142359 558339080 /nfs/dbraw/zinc/33/90/80/558339080.db2.gz UJZIGAHGTKPQHZ-OAQYLSRUSA-N 1 1 422.533 2.270 40 0 HEABMO CCn1c2ccc(S(=O)(=O)NC[C@@H](c3ccc(F)cc3)[NH+](C)C)cc2oc1=O ZINC000012239257 558359933 /nfs/dbraw/zinc/35/99/33/558359933.db2.gz ZYCIFYKNORQXQJ-KRWDZBQOSA-N 1 1 407.467 2.335 40 0 HEABMO CNC(=O)c1cc(S(=O)(=O)NCc2ccccc2-n2cc[nH+]c2C)ccc1OC ZINC000020461929 558373319 /nfs/dbraw/zinc/37/33/19/558373319.db2.gz MNVIGYGVGIBJQL-UHFFFAOYSA-N 1 1 414.487 2.027 40 0 HEABMO Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)NCCC[NH+]1CCOCC1 ZINC000022874342 558518471 /nfs/dbraw/zinc/51/84/71/558518471.db2.gz XACRYJVZWAZMJH-UHFFFAOYSA-N 1 1 417.531 2.248 40 0 HEABMO COc1ccc2c(c1)c(CN1CCC([NH+]3C[C@H](C)O[C@@H](C)C3)CC1)cn2CC(N)=O ZINC000036741488 558802276 /nfs/dbraw/zinc/80/22/76/558802276.db2.gz FBQLRYYVPBUBAT-IRXDYDNUSA-N 1 1 414.550 2.209 40 0 HEABMO Cc1cc2nc([C@H]3CCC[N@H+](Cc4ccc5c(c4)n(C)c(=O)n5C)C3)cc(N)n2n1 ZINC000019129294 558845241 /nfs/dbraw/zinc/84/52/41/558845241.db2.gz VBERPDPEQVIPLC-INIZCTEOSA-N 1 1 405.506 2.190 40 0 HEABMO O=C(C[C@H]1C=CCC1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2cccnc2)C3)C1 ZINC000019339491 558871094 /nfs/dbraw/zinc/87/10/94/558871094.db2.gz XNSGMZKYRQOUHV-PKOBYXMFSA-N 1 1 419.529 2.395 40 0 HEABMO O=C(C[C@H]1C=CCC1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2cccnc2)C3)C1 ZINC000019339491 558871097 /nfs/dbraw/zinc/87/10/97/558871097.db2.gz XNSGMZKYRQOUHV-PKOBYXMFSA-N 1 1 419.529 2.395 40 0 HEABMO O=C(c1cc[nH]n1)N1CCC[C@H](c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2cccs2)CC3)C1 ZINC000019343642 558872476 /nfs/dbraw/zinc/87/24/76/558872476.db2.gz KWZJPSVQCFBEQQ-AWEZNQCLSA-N 1 1 424.530 2.133 40 0 HEABMO O=C(c1ccn[nH]1)N1CCC[C@H](c2nc3c(c(=O)[nH]2)C[N@H+](Cc2cccs2)CC3)C1 ZINC000019343642 558872477 /nfs/dbraw/zinc/87/24/77/558872477.db2.gz KWZJPSVQCFBEQQ-AWEZNQCLSA-N 1 1 424.530 2.133 40 0 HEABMO O=C(c1ccn[nH]1)N1CCC[C@H](c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2cccs2)CC3)C1 ZINC000019343642 558872478 /nfs/dbraw/zinc/87/24/78/558872478.db2.gz KWZJPSVQCFBEQQ-AWEZNQCLSA-N 1 1 424.530 2.133 40 0 HEABMO O=C(CCn1cccn1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@H+](C2CCCCC2)C3)C1 ZINC000019406085 558885078 /nfs/dbraw/zinc/88/50/78/558885078.db2.gz AZJGONYILZASJX-KRWDZBQOSA-N 1 1 424.549 2.063 40 0 HEABMO CC(C)[N@@H+]1CCc2nc3cc(C(=O)N4CCCC[C@H]4CCO)ccc3c(=O)n2CC1 ZINC000019448603 558887306 /nfs/dbraw/zinc/88/73/06/558887306.db2.gz PRRXDRCZLBNZDZ-SFHVURJKSA-N 1 1 412.534 2.040 40 0 HEABMO CCc1nc(N2CCN(C(=O)Cn3c(=O)cc(C)c4ccccc43)CC2)cc(C)[nH+]1 ZINC000019523135 558904261 /nfs/dbraw/zinc/90/42/61/558904261.db2.gz LIEKXYBIFYVNRG-UHFFFAOYSA-N 1 1 405.502 2.320 40 0 HEABMO COCCCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCc1ccccc1C(=O)N2 ZINC000072334406 558935674 /nfs/dbraw/zinc/93/56/74/558935674.db2.gz MFSUDRVPKCCBLO-WIOPSUGQSA-N 1 1 421.541 2.386 40 0 HEABMO COc1ccccc1C[N@H+]1CCc2nc([C@H]3CCN(C(=O)[C@H]4C[C@@H]4C)C3)[nH]c(=O)c2C1 ZINC000072399139 558976852 /nfs/dbraw/zinc/97/68/52/558976852.db2.gz UBJARVAUGANOPS-SZMVWBNQSA-N 1 1 422.529 2.309 40 0 HEABMO Cc1[nH+]ccn1CCC1CCN(C(=O)C[C@H]2NC(=O)N(C3CCCCC3)C2=O)CC1 ZINC000019717689 558980525 /nfs/dbraw/zinc/98/05/25/558980525.db2.gz JFVMPCHJQVMTCO-LJQANCHMSA-N 1 1 415.538 2.463 40 0 HEABMO CC(C)[C@H](CNC(=O)c1cc(N2CCOCC2)nc2ccccc21)[NH+]1CCOCC1 ZINC000019718089 558981164 /nfs/dbraw/zinc/98/11/64/558981164.db2.gz CHLAYFKXKGIPSS-NRFANRHFSA-N 1 1 412.534 2.158 40 0 HEABMO CN(C)c1ccc(CC(=O)N2CCC3(CO[C@H](C[N@H+]4CCC[C@H]4CO)C3)CC2)cc1 ZINC000585103062 559026376 /nfs/dbraw/zinc/02/63/76/559026376.db2.gz BVRTUHCBJUQJPG-VXKWHMMOSA-N 1 1 415.578 2.150 40 0 HEABMO Cc1ccc(OCC(=O)N2CCC3(CO[C@@H](C[N@H+]4CCC[C@H]4CO)C3)CC2)cc1 ZINC000585104922 559027462 /nfs/dbraw/zinc/02/74/62/559027462.db2.gz XGJRWUVEQBSTTK-PZJWPPBQSA-N 1 1 402.535 2.228 40 0 HEABMO Cc1ccc(OCC(=O)N2CCC3(CO[C@H](C[N@H+]4CCC[C@H]4CO)C3)CC2)cc1 ZINC000585104920 559027548 /nfs/dbraw/zinc/02/75/48/559027548.db2.gz XGJRWUVEQBSTTK-FPOVZHCZSA-N 1 1 402.535 2.228 40 0 HEABMO CCN1CC2(CC[NH+](Cc3cnn(C)c3)CC2)COc2ccccc2S1(=O)=O ZINC000096037143 559090940 /nfs/dbraw/zinc/09/09/40/559090940.db2.gz XYXDFCWPJHFFPK-UHFFFAOYSA-N 1 1 404.536 2.106 40 0 HEABMO CN(C)C(=O)[C@@]12CN(Cc3cnn(C)c3)C[C@@H]1C[N@@H+](Cc1cccs1)CCC2 ZINC000096083058 559094935 /nfs/dbraw/zinc/09/49/35/559094935.db2.gz NOFYDVGHSAEEQG-RXVVDRJESA-N 1 1 401.580 2.284 40 0 HEABMO CN(C)C(=O)[C@@]12C[N@H+](Cc3cnn(C)c3)C[C@@H]1CN(Cc1cccs1)CCC2 ZINC000096083058 559094946 /nfs/dbraw/zinc/09/49/46/559094946.db2.gz NOFYDVGHSAEEQG-RXVVDRJESA-N 1 1 401.580 2.284 40 0 HEABMO CN(C)C(=O)[C@@]12C[N@@H+](Cc3cnn(C)c3)C[C@@H]1CN(Cc1cccs1)CCC2 ZINC000096083058 559094948 /nfs/dbraw/zinc/09/49/48/559094948.db2.gz NOFYDVGHSAEEQG-RXVVDRJESA-N 1 1 401.580 2.284 40 0 HEABMO C[N@H+]1CC[C@@]2(C(=O)Nc3cccnc3)CCN(S(=O)(=O)c3ccccc3)CC[C@@H]12 ZINC000096145291 559097233 /nfs/dbraw/zinc/09/72/33/559097233.db2.gz FMGDSJRVGMTVJD-TZIWHRDSSA-N 1 1 414.531 2.195 40 0 HEABMO CCN1CC[C@]2(C[N@@H+](CCOC)CC23CCN(C(=O)c2ccsc2)CC3)C1=O ZINC000096262792 559106703 /nfs/dbraw/zinc/10/67/03/559106703.db2.gz TVAKIQMMKFIVLU-NRFANRHFSA-N 1 1 405.564 2.171 40 0 HEABMO COc1ccc(OC[C@H](O)C[N@@H+](C)Cc2cccc(CN3CCOCC3)c2)cc1 ZINC000585271730 559117696 /nfs/dbraw/zinc/11/76/96/559117696.db2.gz GWCVDQKYROFAOP-OAQYLSRUSA-N 1 1 400.519 2.399 40 0 HEABMO O=C(C[NH+]1CCC(O)(COc2ccc(F)cc2)CC1)NCc1ccc2c(c1)OCO2 ZINC000585272347 559117949 /nfs/dbraw/zinc/11/79/49/559117949.db2.gz HUXCGDMKLDTJOB-UHFFFAOYSA-N 1 1 416.449 2.077 40 0 HEABMO COCCNC(=O)C[NH+]1CCC(NC(=O)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000004400660 560606734 /nfs/dbraw/zinc/60/67/34/560606734.db2.gz ISZUENVJSCBKJN-UHFFFAOYSA-N 1 1 402.417 2.054 40 0 HEABMO COc1cc(OC)c([C@H]2[NH+]=C(N3CCCCC3)Nc3nc(C)cc(=O)n32)cc1OC ZINC000009289415 560757848 /nfs/dbraw/zinc/75/78/48/560757848.db2.gz TYRXUOQNHRBTMB-IBGZPJMESA-N 1 1 413.478 2.392 40 0 HEABMO COc1ccc(OC)c([C@@H](c2nnnn2CCc2ccccc2)N2CC[NH+](C)CC2)c1 ZINC000019589822 560874381 /nfs/dbraw/zinc/87/43/81/560874381.db2.gz USJTWJRGFRHNBP-QFIPXVFZSA-N 1 1 422.533 2.270 40 0 HEABMO COCCn1nnnc1[C@@H](c1ccccc1OC)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019594118 560875316 /nfs/dbraw/zinc/87/53/16/560875316.db2.gz YDDIEDANRPOQBX-JOCHJYFZSA-N 1 1 422.533 2.235 40 0 HEABMO C[NH+]1CCN(C(=O)CN(c2cc(Cl)c(Cl)cc2Cl)S(C)(=O)=O)CC1 ZINC000023423433 568509687 /nfs/dbraw/zinc/50/96/87/568509687.db2.gz RJGPLXRNGIVIFD-UHFFFAOYSA-N 1 1 414.742 2.187 40 0 HEABMO Cc1cc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)ccc1N(C)S(C)(=O)=O ZINC000222472626 568516336 /nfs/dbraw/zinc/51/63/36/568516336.db2.gz OCVJMBITHIYWKG-UHFFFAOYSA-N 1 1 401.532 2.349 40 0 HEABMO CC[C@@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000225086590 568613173 /nfs/dbraw/zinc/61/31/73/568613173.db2.gz HFEPVXAJTUEBOJ-MRXNPFEDSA-N 1 1 407.536 2.273 40 0 HEABMO Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)NCCC[NH+]3CCCCC3)s2)cc1 ZINC000225436635 568637848 /nfs/dbraw/zinc/63/78/48/568637848.db2.gz JRBMZFNZAPTFRF-UHFFFAOYSA-N 1 1 423.564 2.253 40 0 HEABMO CSc1ccc(S(=O)(=O)N(C)CC(=O)NCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000225870536 568682341 /nfs/dbraw/zinc/68/23/41/568682341.db2.gz IWVBEROEOLOHHE-MRXNPFEDSA-N 1 1 413.609 2.267 40 0 HEABMO CS(=O)(=O)N1CCC(C(=O)NCCNc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000226076079 568693073 /nfs/dbraw/zinc/69/30/73/568693073.db2.gz CHSRMYDKUDUCOB-UHFFFAOYSA-N 1 1 410.927 2.088 40 0 HEABMO Cc1[nH+]ccn1[C@@H]1CCC[C@@H](N(C)C(=O)COCc2nc3ccccc3n2C)[C@H]1O ZINC000257217563 568781176 /nfs/dbraw/zinc/78/11/76/568781176.db2.gz CZMUBWFBADDDGZ-WOIUINJBSA-N 1 1 411.506 2.208 40 0 HEABMO Cc1cc(NC(=O)C[N@H+]2[C@H](Cc3ccccc3)C[C@]3(C)NC(=O)CCC[C@H]23)nn1C ZINC000257222538 568782699 /nfs/dbraw/zinc/78/26/99/568782699.db2.gz DTRJXFDSDXNDPM-MSYCTHLASA-N 1 1 409.534 2.411 40 0 HEABMO COc1ccc(CCNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2c2ccc(CNC(C)=O)cc2)cc1 ZINC000257261023 568793136 /nfs/dbraw/zinc/79/31/36/568793136.db2.gz LFLMWHWCPKWNEF-DHIUTWEWSA-N 1 1 409.530 2.335 40 0 HEABMO CC(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N(C)C(=O)[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000257265899 568794366 /nfs/dbraw/zinc/79/43/66/568794366.db2.gz MAUDRBBAAXNZQU-IEEQIXEPSA-N 1 1 415.578 2.164 40 0 HEABMO COc1ccc(CN2CCO[C@]3(C2)CC=CCN(C)C3=O)cc1Cn1cc[nH+]c1C ZINC000257304701 568805896 /nfs/dbraw/zinc/80/58/96/568805896.db2.gz SMTVIEQUDSGVCE-QHCPKHFHSA-N 1 1 410.518 2.238 40 0 HEABMO CS(=O)(=O)NCC(=O)N1CC[C@@H]2[C@H](C1)CCCC[N@H+]2Cc1ccc(Cl)cc1 ZINC000257304832 568805949 /nfs/dbraw/zinc/80/59/49/568805949.db2.gz SNIWJKNBNCJNAB-FUHWJXTLSA-N 1 1 413.971 2.092 40 0 HEABMO CNc1nc([C@@H]2CCN(S(=O)(=O)c3ccc(C)c(C)c3)C2)nc2c1CC[N@H+](C)C2 ZINC000257317321 568809354 /nfs/dbraw/zinc/80/93/54/568809354.db2.gz VJHPHEQHIVKZQA-MRXNPFEDSA-N 1 1 415.563 2.301 40 0 HEABMO CNc1nc([C@@H]2CCN(S(=O)(=O)c3ccc(C)c(C)c3)C2)nc2c1CC[N@@H+](C)C2 ZINC000257317321 568809355 /nfs/dbraw/zinc/80/93/55/568809355.db2.gz VJHPHEQHIVKZQA-MRXNPFEDSA-N 1 1 415.563 2.301 40 0 HEABMO COc1ccc(C[N@@H+](C)C[C@@]2(O)CCCN(C(=O)c3n[nH]c4c3CCC4)CC2)cc1 ZINC000257322841 568811306 /nfs/dbraw/zinc/81/13/06/568811306.db2.gz WHPUODMNTKOGNH-HSZRJFAPSA-N 1 1 412.534 2.396 40 0 HEABMO CC(=O)N1CC[NH+]([C@@H]2CC[C@@H](N(C)C(=O)c3cc4cc(Cl)ccc4o3)[C@H]2O)CC1 ZINC000257336595 568815192 /nfs/dbraw/zinc/81/51/92/568815192.db2.gz YPDSSTLSADNEEJ-MBOZVWFJSA-N 1 1 419.909 2.214 40 0 HEABMO O=C1N(CC2CC2)CCO[C@@]12C[N@@H+](Cc1ccc3c(c1)OCO3)C[C@H]2c1cccnc1 ZINC000306130077 568892563 /nfs/dbraw/zinc/89/25/63/568892563.db2.gz IVVUCJFNOPQVCL-GBXCKJPGSA-N 1 1 421.497 2.417 40 0 HEABMO Cc1cccc(C[N@H+]2CC[C@]3(CCn4c3nn(Cc3cccs3)c(=O)c4=O)C2)c1 ZINC000306131185 568893442 /nfs/dbraw/zinc/89/34/42/568893442.db2.gz JYHGPNXXILFMOC-QFIPXVFZSA-N 1 1 408.527 2.371 40 0 HEABMO Cc1ccc(CNC(=O)[C@@H]2C[N@H+](C)CC3(CCN(C(=O)c4ccco4)CC3)O2)cc1 ZINC000306131989 568894219 /nfs/dbraw/zinc/89/42/19/568894219.db2.gz KVAYWQWMTYCDBZ-FQEVSTJZSA-N 1 1 411.502 2.210 40 0 HEABMO Cn1cc(C[N@H+]2C[C@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccccc2)C3=O)cn1 ZINC000306133912 568895772 /nfs/dbraw/zinc/89/57/72/568895772.db2.gz MZDQKQLFWHTJCB-ISKFKSNPSA-N 1 1 417.513 2.212 40 0 HEABMO COc1ncccc1C[N@@H+]1C[C@@H]2Cc3nnc(C(=O)Nc4cccc(F)c4)n3C[C@H]2C1 ZINC000306134118 568896024 /nfs/dbraw/zinc/89/60/24/568896024.db2.gz NDVMTIMHTZSRTC-JKSUJKDBSA-N 1 1 422.464 2.377 40 0 HEABMO COc1ncccc1C[N@@H+]1C[C@@H]2Cc3nnc(C(=O)Nc4ccccc4)n3C[C@@H]2C1 ZINC000306134895 568896804 /nfs/dbraw/zinc/89/68/04/568896804.db2.gz OAXNZVPTDXQVMK-IRXDYDNUSA-N 1 1 404.474 2.238 40 0 HEABMO O=C1N(Cc2ccncc2)CCO[C@@]12C[N@@H+](Cc1cccnc1)C[C@H]2c1cccnc1 ZINC000306138946 568900856 /nfs/dbraw/zinc/90/08/56/568900856.db2.gz SLIWMGSEEOHSOD-LADGPHEKSA-N 1 1 415.497 2.269 40 0 HEABMO COCCN1C[C@]2(CC[N@H+](Cc3ccsc3)C2)Oc2ccccc2S1(=O)=O ZINC000306142603 568904268 /nfs/dbraw/zinc/90/42/68/568904268.db2.gz XEHKVRCHMXEEOJ-LJQANCHMSA-N 1 1 408.545 2.422 40 0 HEABMO COCCN1C[C@]2(CC[N@@H+](Cc3ccsc3)C2)Oc2ccccc2S1(=O)=O ZINC000306142603 568904269 /nfs/dbraw/zinc/90/42/69/568904269.db2.gz XEHKVRCHMXEEOJ-LJQANCHMSA-N 1 1 408.545 2.422 40 0 HEABMO Cc1ccc(SCC(=O)N2CCC3(C[C@H](C[NH+]4CCN(C)CC4)O3)CC2)cc1 ZINC000306142778 568904386 /nfs/dbraw/zinc/90/43/86/568904386.db2.gz XJRWYCWOZYQNQZ-LJQANCHMSA-N 1 1 403.592 2.485 40 0 HEABMO CN(Cc1cn([C@H]2CO[C@H]3[C@@H]2OC[C@@H]3[NH2+]Cc2ccco2)nn1)Cc1ccccc1 ZINC000005412549 291205318 /nfs/dbraw/zinc/20/53/18/291205318.db2.gz DOBVHFBSDKZQRI-FNAHDJPLSA-N 1 1 409.490 2.000 40 0 biogenic,in-vitro HEABMO O=C(NCc1cccnc1)[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2Cn1cc(-c2cccc(O)c2)nn1 ZINC000008254138 291212134 /nfs/dbraw/zinc/21/21/34/291212134.db2.gz MQIHTWHOIWUMTF-DSKINZAPSA-N 1 1 418.501 2.073 40 0 biogenic,in-vitro HEABMO Cc1nn(CC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)c(=O)c2cc3sccc3n21 ZINC000012115271 558327745 /nfs/dbraw/zinc/32/77/45/558327745.db2.gz YVLWPJNIEUUMCR-AWEZNQCLSA-N 1 1 401.536 2.400 40 0 HEABMO CCc1cccc2c(CC(=O)N(CC[NH+](C)C)[C@H]3CCS(=O)(=O)C3)c(C)[nH]c21 ZINC000012276675 558364459 /nfs/dbraw/zinc/36/44/59/558364459.db2.gz FFAWJQMHQUMQJE-KRWDZBQOSA-N 1 1 405.564 2.159 40 0 HEABMO COc1ccc(N2C(=O)C[C@@H](N3CC[NH+](Cc4ccccc4)CC3)C2=O)c(OC)c1 ZINC000021816682 558450786 /nfs/dbraw/zinc/45/07/86/558450786.db2.gz WVCREJUFZZAQJT-HXUWFJFHSA-N 1 1 409.486 2.154 40 0 HEABMO C[NH+](C)CCN(CC1(c2ccc(Cl)cc2Cl)CC1)[C@@H]1CS(=O)(=O)C[C@@H]1O ZINC000022026479 558459037 /nfs/dbraw/zinc/45/90/37/558459037.db2.gz VHNRYGFZHVFUCZ-SJORKVTESA-N 1 1 421.390 2.047 40 0 HEABMO O=C([C@@H]1CCOC1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](CC1CCCCC1)CC2 ZINC000019014805 558837028 /nfs/dbraw/zinc/83/70/28/558837028.db2.gz BEXGEKOKCRXIII-XLIONFOSSA-N 1 1 414.550 2.408 40 0 HEABMO COc1ccc(OC)c(S(=O)(=O)NCc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000047266594 558841910 /nfs/dbraw/zinc/84/19/10/558841910.db2.gz LHWIFFOOMSVHRR-UHFFFAOYSA-N 1 1 406.504 2.015 40 0 HEABMO COc1ccc(S(=O)(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1OC ZINC000047266596 558842026 /nfs/dbraw/zinc/84/20/26/558842026.db2.gz JGKXAVFPFCKQGM-UHFFFAOYSA-N 1 1 406.504 2.015 40 0 HEABMO O=C(c1cc[nH]n1)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2cccs2)CC3)C1 ZINC000019343639 558872463 /nfs/dbraw/zinc/87/24/63/558872463.db2.gz KWZJPSVQCFBEQQ-CQSZACIVSA-N 1 1 424.530 2.133 40 0 HEABMO O=C(c1ccn[nH]1)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)C[N@H+](Cc2cccs2)CC3)C1 ZINC000019343639 558872464 /nfs/dbraw/zinc/87/24/64/558872464.db2.gz KWZJPSVQCFBEQQ-CQSZACIVSA-N 1 1 424.530 2.133 40 0 HEABMO O=C(c1ccn[nH]1)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2cccs2)CC3)C1 ZINC000019343639 558872465 /nfs/dbraw/zinc/87/24/65/558872465.db2.gz KWZJPSVQCFBEQQ-CQSZACIVSA-N 1 1 424.530 2.133 40 0 HEABMO CC(C)[N@H+]1CCc2c(=O)[nH]c([C@@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)nc2C1 ZINC000019448425 558887453 /nfs/dbraw/zinc/88/74/53/558887453.db2.gz ZATVJMHFWNYZKA-SFHVURJKSA-N 1 1 420.510 2.201 40 0 HEABMO COc1ccc2c(c1)c(C[NH+]1CCN(Cc3ccccc3OC)CC1)cn2CC(N)=O ZINC000019563256 558923519 /nfs/dbraw/zinc/92/35/19/558923519.db2.gz MJAKQJIVBWWIRP-UHFFFAOYSA-N 1 1 422.529 2.462 40 0 HEABMO COc1ccc2c(c1)c(CN1CC[NH+](Cc3ccccc3OC)CC1)cn2CC(N)=O ZINC000019563256 558923521 /nfs/dbraw/zinc/92/35/21/558923521.db2.gz MJAKQJIVBWWIRP-UHFFFAOYSA-N 1 1 422.529 2.462 40 0 HEABMO COc1cccc(C[N@@H+]2CCN(C(=O)Cc3n[nH]c(=O)c4ccccc34)[C@@H](C)C2)c1 ZINC000019575580 558932754 /nfs/dbraw/zinc/93/27/54/558932754.db2.gz NTSJVYVZUOKQJY-INIZCTEOSA-N 1 1 406.486 2.207 40 0 HEABMO COc1cccc(C[N@H+]2CCN(C(=O)Cc3n[nH]c(=O)c4ccccc34)[C@@H](C)C2)c1 ZINC000019575580 558932755 /nfs/dbraw/zinc/93/27/55/558932755.db2.gz NTSJVYVZUOKQJY-INIZCTEOSA-N 1 1 406.486 2.207 40 0 HEABMO Cc1cccc(C[N@H+]2C[C@@H](C(=O)NC(C)(C)C)[C@]3(C2)Cc2ccccc2C(=O)N3)n1 ZINC000072334511 558935602 /nfs/dbraw/zinc/93/56/02/558935602.db2.gz ONJNUKYYNDFKFC-GBXCKJPGSA-N 1 1 406.530 2.461 40 0 HEABMO C[N@H+]1CCc2nc([C@H]3CCCN(C(=O)COc4cccc(F)c4)C3)[nH]c(=O)c2C1 ZINC000019590246 558940905 /nfs/dbraw/zinc/94/09/05/558940905.db2.gz GSQZYCWWFSZOBN-AWEZNQCLSA-N 1 1 400.454 2.094 40 0 HEABMO CNc1ncccc1C[N@H+]1C[C@@H](c2ccc(F)c(F)c2)[C@]2(C1)COCCC(=O)N2 ZINC000019592065 558942838 /nfs/dbraw/zinc/94/28/38/558942838.db2.gz ISBLURHAWFQDER-KKSFZXQISA-N 1 1 402.445 2.276 40 0 HEABMO NC(=O)[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C(=O)c2ccccc2)C1 ZINC000072373042 558960822 /nfs/dbraw/zinc/96/08/22/558960822.db2.gz HKCULRPHOXOPES-FKBYEOEOSA-N 1 1 419.525 2.341 40 0 HEABMO NC(=O)c1sc2ccccc2c1[C@H]1CN(C(=O)CCC[NH+]2CCOCC2)CCO1 ZINC000019697542 558965377 /nfs/dbraw/zinc/96/53/77/558965377.db2.gz AVIKPAIYHDHBKY-MRXNPFEDSA-N 1 1 417.531 2.013 40 0 HEABMO CNc1nc([C@H]2CCCN(C(=O)Cc3cccc(OC)c3)C2)nc2c1CC[N@H+](C)C2 ZINC000019708727 558971279 /nfs/dbraw/zinc/97/12/79/558971279.db2.gz IADKILKDAJUMAC-KRWDZBQOSA-N 1 1 409.534 2.464 40 0 HEABMO CNc1nc([C@H]2CCCN(C(=O)Cc3cccc(OC)c3)C2)nc2c1CC[N@@H+](C)C2 ZINC000019708727 558971282 /nfs/dbraw/zinc/97/12/82/558971282.db2.gz IADKILKDAJUMAC-KRWDZBQOSA-N 1 1 409.534 2.464 40 0 HEABMO CNc1nc(C2CCN(C(=O)COc3ccc(F)cc3)CC2)nc2c1CC[N@H+](C)C2 ZINC000019710947 558973115 /nfs/dbraw/zinc/97/31/15/558973115.db2.gz DWKVMFZUFHQOTK-UHFFFAOYSA-N 1 1 413.497 2.430 40 0 HEABMO CNc1nc(C2CCN(C(=O)COc3ccc(F)cc3)CC2)nc2c1CC[N@@H+](C)C2 ZINC000019710947 558973118 /nfs/dbraw/zinc/97/31/18/558973118.db2.gz DWKVMFZUFHQOTK-UHFFFAOYSA-N 1 1 413.497 2.430 40 0 HEABMO CN(C)c1ccc(CC(=O)N2CCC3(CO[C@@H](C[N@H+]4CCC[C@@H](O)C4)C3)CC2)cc1 ZINC000585104577 559027156 /nfs/dbraw/zinc/02/71/56/559027156.db2.gz QNZZBFPVQGNVDE-FGZHOGPDSA-N 1 1 415.578 2.150 40 0 HEABMO C[N@@H+](C[C@@H]1CC2(CO1)CCN(S(=O)(=O)c1ccccc1)CC2)[C@H]1CC[C@H](O)CC1 ZINC000585105114 559027615 /nfs/dbraw/zinc/02/76/15/559027615.db2.gz YLFMBDDSFLXPSI-UFYCRDLUSA-N 1 1 422.591 2.482 40 0 HEABMO Cc1ccccc1S(=O)(=O)N1CCC2(CO[C@H](C[N@@H+]3CC[C@@H](C)[C@H](O)C3)C2)CC1 ZINC000585105142 559027620 /nfs/dbraw/zinc/02/76/20/559027620.db2.gz ZENGROIAWKRIJP-YZGWKJHDSA-N 1 1 422.591 2.258 40 0 HEABMO 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411.955 2.250 40 0 HEABMO CC[NH+]1CCN(C(=O)c2nnc3c(-c4ccc(OC)c(OC)c4)c(C)nn3c2C)CC1 ZINC000020633584 558395179 /nfs/dbraw/zinc/39/51/79/558395179.db2.gz HQGYTFFCWXQZSP-UHFFFAOYSA-N 1 1 424.505 2.203 40 0 HEABMO c1ccc2c(c1)nc1n2C2(CCCCC2)NC2=NCN(CCC[NH+]3CCOCC3)CN12 ZINC000020676472 558400113 /nfs/dbraw/zinc/40/01/13/558400113.db2.gz TZCDAOOYYUEKHS-UHFFFAOYSA-N 1 1 423.565 2.372 40 0 HEABMO CC[NH+]1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3ccccc3)cc2)CC1 ZINC000016681501 558799233 /nfs/dbraw/zinc/79/92/33/558799233.db2.gz VFNFGTPNDRWMKD-UHFFFAOYSA-N 1 1 403.504 2.030 40 0 HEABMO CC(C)C(=O)N1CCCc2cc([C@H](O)C[NH+]3CCN(c4ncccn4)CC3)ccc21 ZINC000019085765 558841469 /nfs/dbraw/zinc/84/14/69/558841469.db2.gz RFMSKQPSWBFAFC-OAQYLSRUSA-N 1 1 409.534 2.267 40 0 HEABMO O=C(c1ccncc1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@H+](Cc1cccnc1)CC2 ZINC000019339385 558871135 /nfs/dbraw/zinc/87/11/35/558871135.db2.gz QRNKPKYPKPAMDW-HXUWFJFHSA-N 1 1 416.485 2.096 40 0 HEABMO O=C(c1ccncc1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](Cc1cccnc1)CC2 ZINC000019339385 558871138 /nfs/dbraw/zinc/87/11/38/558871138.db2.gz QRNKPKYPKPAMDW-HXUWFJFHSA-N 1 1 416.485 2.096 40 0 HEABMO C[C@@H]1CCCC[N@H+]1CC(=O)N1C[C@@H](c2ccc(F)c(F)c2)[C@]2(C1)COCCC(=O)N2 ZINC000019496349 558895246 /nfs/dbraw/zinc/89/52/46/558895246.db2.gz VQTNMUYOTUFSPR-ZWWNWMABSA-N 1 1 421.488 2.040 40 0 HEABMO C[C@@H]1CN(c2nccc([C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C(=O)N(C)C)n2)C[C@H](C)O1 ZINC000019497722 558896326 /nfs/dbraw/zinc/89/63/26/558896326.db2.gz BWSAXPSFDVMOGU-KOUHRCEDSA-N 1 1 423.561 2.394 40 0 HEABMO CCc1cc(N2CCOCC2)nc(C2CC[NH+](Cc3cnc(N(C)C)nc3)CC2)n1 ZINC000019522581 558903818 /nfs/dbraw/zinc/90/38/18/558903818.db2.gz UYJITJIRKXADRK-UHFFFAOYSA-N 1 1 411.554 2.111 40 0 HEABMO COC(=O)Cn1cc(C[N@@H+]2CCc3c(=O)[nH]c(N4CCCC4)nc3C2)c2ccccc21 ZINC000072335546 558936738 /nfs/dbraw/zinc/93/67/38/558936738.db2.gz BRESHLRKLOVPFO-UHFFFAOYSA-N 1 1 421.501 2.056 40 0 HEABMO COC(=O)Cn1cc(C[N@H+]2CCc3c(=O)[nH]c(N4CCCC4)nc3C2)c2ccccc21 ZINC000072335546 558936740 /nfs/dbraw/zinc/93/67/40/558936740.db2.gz BRESHLRKLOVPFO-UHFFFAOYSA-N 1 1 421.501 2.056 40 0 HEABMO C[N@H+]1CCc2nc([C@H]3CCCN(C(=O)COc4ccccc4F)C3)[nH]c(=O)c2C1 ZINC000019590248 558940898 /nfs/dbraw/zinc/94/08/98/558940898.db2.gz MGZMAEHKRGKWEB-AWEZNQCLSA-N 1 1 400.454 2.094 40 0 HEABMO COCCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccnc(N2CCCC2)n1 ZINC000019593507 558944664 /nfs/dbraw/zinc/94/46/64/558944664.db2.gz LPGCSEMBNGAGGU-WOJBJXKFSA-N 1 1 409.534 2.055 40 0 HEABMO COCc1cc(=O)[nH]c([C@H]2CCC[N@@H+](Cc3cc(OC)c(OC)c(OC)c3)C2)n1 ZINC000019594302 558945137 /nfs/dbraw/zinc/94/51/37/558945137.db2.gz JYDDPNDWQPJCEJ-HNNXBMFYSA-N 1 1 403.479 2.322 40 0 HEABMO Cc1sc(NC(=O)[C@H]2CCC[N@H+](CC(N)=O)C2)nc1-c1ccc2c(c1)OCCO2 ZINC000019663717 558954405 /nfs/dbraw/zinc/95/44/05/558954405.db2.gz FPOCWAPXQLTPBN-AWEZNQCLSA-N 1 1 416.503 2.026 40 0 HEABMO Cc1sc(NC(=O)[C@H]2CCC[N@@H+](CC(N)=O)C2)nc1-c1ccc2c(c1)OCCO2 ZINC000019663717 558954407 /nfs/dbraw/zinc/95/44/07/558954407.db2.gz FPOCWAPXQLTPBN-AWEZNQCLSA-N 1 1 416.503 2.026 40 0 HEABMO COc1cc(OC)cc(C(=O)N2CCC3(CO[C@H](C[NH+]4CCOCC4)C3)CC2)c1 ZINC000585103165 559026531 /nfs/dbraw/zinc/02/65/31/559026531.db2.gz FBAHCNKDJJBPAN-FQEVSTJZSA-N 1 1 404.507 2.047 40 0 HEABMO Cc1ccccc1S(=O)(=O)N1CCC2(CO[C@@H](C[N@@H+]3CC[C@@H](C)[C@H](O)C3)C2)CC1 ZINC000585105141 559027669 /nfs/dbraw/zinc/02/76/69/559027669.db2.gz ZENGROIAWKRIJP-MISYRCLQSA-N 1 1 422.591 2.258 40 0 HEABMO Cc1ncsc1C(=O)N1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](CC3CCCC3)C[C@@H]12 ZINC000585106346 559028841 /nfs/dbraw/zinc/02/88/41/559028841.db2.gz YPEZRTTUSXGEPD-SJORKVTESA-N 1 1 402.564 2.294 40 0 HEABMO CN1C(=O)[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2C12CCN(C(=O)c1ccccc1)CC2 ZINC000096143571 559095976 /nfs/dbraw/zinc/09/59/76/559095976.db2.gz MIGYJXVGFJKDFR-LEWJYISDSA-N 1 1 404.514 2.277 40 0 HEABMO O=S(=O)(c1cccs1)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC000096239953 559103564 /nfs/dbraw/zinc/10/35/64/559103564.db2.gz MOAYITUBJWDPGG-UHFFFAOYSA-N 1 1 407.561 2.446 40 0 HEABMO O=S(=O)(c1cccs1)N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC000096239953 559103566 /nfs/dbraw/zinc/10/35/66/559103566.db2.gz MOAYITUBJWDPGG-UHFFFAOYSA-N 1 1 407.561 2.446 40 0 HEABMO CN(C)C(=O)[C@@]12C[N@@H+](Cc3cnn(C)c3)C[C@@H]1CN(C(=O)C1CCCCC1)CCC2 ZINC000096251331 559105420 /nfs/dbraw/zinc/10/54/20/559105420.db2.gz ULNDDWSYPXCBDV-OFNKIYASSA-N 1 1 415.582 2.129 40 0 HEABMO O=C(C[NH+]1CCC(O)(COc2ccc(F)cc2)CC1)NCCOc1ccccc1 ZINC000585274113 559118443 /nfs/dbraw/zinc/11/84/43/559118443.db2.gz RQAYYDWSAXXVHL-UHFFFAOYSA-N 1 1 402.466 2.227 40 0 HEABMO CCOC(=O)N1CCC([N@H+]2CC[C@H](O)[C@@](O)(COc3cc(C)cc(C)c3C)C2)CC1 ZINC000585286819 559122080 /nfs/dbraw/zinc/12/20/80/559122080.db2.gz JDCBYCOKFHZHEC-GMAHTHKFSA-N 1 1 420.550 2.409 40 0 HEABMO COCCOc1cc(C[N@@H+]2CC[C@](O)(CN3CCC(F)(F)CC3)C2)ccc1OC ZINC000257210628 559282541 /nfs/dbraw/zinc/28/25/41/559282541.db2.gz BVNABARWBSWBMJ-FQEVSTJZSA-N 1 1 414.493 2.388 40 0 HEABMO COCCOc1cc(C[N@H+]2CC[C@](O)(CN3CCC(F)(F)CC3)C2)ccc1OC ZINC000257210628 559282543 /nfs/dbraw/zinc/28/25/43/559282543.db2.gz BVNABARWBSWBMJ-FQEVSTJZSA-N 1 1 414.493 2.388 40 0 HEABMO C[N@@H+](Cc1ccc(OCCn2cccn2)cc1)C[C@@]1(O)CCN(c2ccccn2)C1 ZINC000257326301 559283137 /nfs/dbraw/zinc/28/31/37/559283137.db2.gz WWRMRAHETUJIMJ-QHCPKHFHSA-N 1 1 407.518 2.430 40 0 HEABMO O=C(NCCC[NH+]1CCOCC1)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 ZINC000013450358 560810838 /nfs/dbraw/zinc/81/08/38/560810838.db2.gz XYCRGHZUYYQGRO-UHFFFAOYSA-N 1 1 423.395 2.460 40 0 HEABMO COc1ccc(N2C(=O)C[C@H]([NH+]3CCC(C(=O)NCc4ccccc4)CC3)C2=O)cc1 ZINC000017946119 560870697 /nfs/dbraw/zinc/87/06/97/560870697.db2.gz SVSWALSFNRXOEA-NRFANRHFSA-N 1 1 421.497 2.356 40 0 HEABMO CC[NH+]1CCN(C(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000020528536 568443278 /nfs/dbraw/zinc/44/32/78/568443278.db2.gz YNJGQJCAEDIECG-UHFFFAOYSA-N 1 1 407.580 2.483 40 0 HEABMO CNC(=O)c1cc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)ccc1OC ZINC000216282111 568464084 /nfs/dbraw/zinc/46/40/84/568464084.db2.gz UGPRZEXLCBTQGJ-UHFFFAOYSA-N 1 1 414.487 2.027 40 0 HEABMO CC[NH+]1CCN(C(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000023423259 568509683 /nfs/dbraw/zinc/50/96/83/568509683.db2.gz YAKOBQBDRZBCRY-UHFFFAOYSA-N 1 1 411.543 2.313 40 0 HEABMO CCNC(=S)N(CCC[NH+]1CCOCC1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000026100078 568539060 /nfs/dbraw/zinc/53/90/60/568539060.db2.gz YTGSOCMKJKPQAC-UHFFFAOYSA-N 1 1 402.564 2.255 40 0 HEABMO Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000224425371 568580887 /nfs/dbraw/zinc/58/08/87/568580887.db2.gz DKHKBECHXMEBJS-UHFFFAOYSA-N 1 1 401.532 2.203 40 0 HEABMO C[N@H+](CC(=O)N1CCO[C@H](c2n[nH]cc2-c2ccnc(N)c2)C1)Cc1ccc(F)cc1 ZINC000257227687 568784418 /nfs/dbraw/zinc/78/44/18/568784418.db2.gz FQLPVGSGQZGNKP-IBGZPJMESA-N 1 1 424.480 2.225 40 0 HEABMO C[N@@H+](CC(=O)N1CCO[C@H](c2n[nH]cc2-c2ccnc(N)c2)C1)Cc1ccc(F)cc1 ZINC000257227687 568784420 /nfs/dbraw/zinc/78/44/20/568784420.db2.gz FQLPVGSGQZGNKP-IBGZPJMESA-N 1 1 424.480 2.225 40 0 HEABMO CC(C)c1nc2cc(C(=O)N(C)[C@@H]3CCC[C@@H]([NH+]4CCOCC4)[C@@H]3O)ccc2[nH]1 ZINC000257285378 568799923 /nfs/dbraw/zinc/79/99/23/568799923.db2.gz PGUNADOWVGCWJG-VAMGGRTRSA-N 1 1 400.523 2.373 40 0 HEABMO Cc1nc(C)c(C[N@H+]2CCOC[C@@]3(CC[C@@H](CNC(=O)c4cccnc4)O3)C2)s1 ZINC000306124562 568887744 /nfs/dbraw/zinc/88/77/44/568887744.db2.gz BTPXMZVFIMXXJX-GHTZIAJQSA-N 1 1 416.547 2.335 40 0 HEABMO COCCN1C[C@@]2(CC[N@H+](Cc3cccs3)C2)Oc2ccccc2S1(=O)=O ZINC000306129757 568892257 /nfs/dbraw/zinc/89/22/57/568892257.db2.gz IMALMKBTGMRSID-IBGZPJMESA-N 1 1 408.545 2.422 40 0 HEABMO COCCN1C[C@@]2(CC[N@@H+](Cc3cccs3)C2)Oc2ccccc2S1(=O)=O ZINC000306129757 568892258 /nfs/dbraw/zinc/89/22/58/568892258.db2.gz IMALMKBTGMRSID-IBGZPJMESA-N 1 1 408.545 2.422 40 0 HEABMO COc1ccc(NC(=O)c2nnc3n2C[C@H]2C[N@H+](Cc4ccncc4)C[C@H]2C3)cc1 ZINC000306139302 568901071 /nfs/dbraw/zinc/90/10/71/568901071.db2.gz SUFDIQOYOOXGHX-IAGOWNOFSA-N 1 1 404.474 2.238 40 0 HEABMO Cc1ccc(C[N@@H+]2CC[C@@]3(C2)Cn2c(nnc2C(=O)NCC(C)C)CN3C)cc1C ZINC000306139249 568901155 /nfs/dbraw/zinc/90/11/55/568901155.db2.gz STGGTCXLCMJEHY-HSZRJFAPSA-N 1 1 410.566 2.371 40 0 HEABMO C[C@@H]1CN(c2ncc3c(n2)[C@]2(CC[N@@H+](Cc4ccc(O)cc4)C2)COC3)C[C@@H](C)O1 ZINC000306142212 568903792 /nfs/dbraw/zinc/90/37/92/568903792.db2.gz WTMGLZOOEZPVDL-QZMQVMSPSA-N 1 1 410.518 2.470 40 0 HEABMO CCOc1ccc(CCC(=O)N2CCC3(C[C@H](C[NH+]4CCN(C)CC4)O3)CC2)cc1 ZINC000306144955 568906234 /nfs/dbraw/zinc/90/62/34/568906234.db2.gz ZTEOBYKCOLLUNQ-JOCHJYFZSA-N 1 1 415.578 2.415 40 0 HEABMO COc1ccccc1N1C(=O)C[C@@H]([NH+]2CCC(C(N)=O)(C3CCCCC3)CC2)C1=O ZINC000101544721 568936287 /nfs/dbraw/zinc/93/62/87/568936287.db2.gz HJGPOFPDCLPVOW-GOSISDBHSA-N 1 1 413.518 2.475 40 0 HEABMO CCOc1ccc(CN2CCC(N3C(=O)NC4(CC[NH+](C)CC4)C3=O)CC2)cc1 ZINC000019699479 569346946 /nfs/dbraw/zinc/34/69/46/569346946.db2.gz IRTHYVALKNPJSF-UHFFFAOYSA-N 1 1 400.523 2.066 40 0 HEABMO CC(=O)N1CC[C@](Cc2cc(-c3ccccc3)no2)(C(=O)N2CCC[N@H+](C)CC2)C1 ZINC000019703563 569347563 /nfs/dbraw/zinc/34/75/63/569347563.db2.gz SYWDLHQQVQUTFQ-HSZRJFAPSA-N 1 1 410.518 2.287 40 0 HEABMO C[NH+]1CCN(c2ncc(-c3ccnc(N4CCOCC4)n3)c(-c3cccs3)n2)CC1 ZINC000012326580 536426099 /nfs/dbraw/zinc/42/60/99/536426099.db2.gz AYVJSIHQLDMKBU-UHFFFAOYSA-N 1 1 423.546 2.251 40 0 HEABMO CCCCc1ncc(C[N@H+]2C[C@@H]3CC[C@@](O)(c4cnc(OC)nc4OC)[C@@H]3C2)cn1 ZINC000012125249 558331305 /nfs/dbraw/zinc/33/13/05/558331305.db2.gz DUFQWLJGLWDGFR-AQOAWAETSA-N 1 1 413.522 2.356 40 0 HEABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020488391 558376979 /nfs/dbraw/zinc/37/69/79/558376979.db2.gz XXRMABTZYLFOQJ-UHFFFAOYSA-N 1 1 412.515 2.426 40 0 HEABMO COc1ncc([C@@]2(O)CC[C@@H]3C[N@@H+](Cc4cnc5ccccc5n4)C[C@@H]32)c(OC)n1 ZINC000012407258 558398425 /nfs/dbraw/zinc/39/84/25/558398425.db2.gz IDTBEYSDNLGNJX-UVQUFPMPSA-N 1 1 407.474 2.167 40 0 HEABMO C[NH+](C)CCN(CC1(c2ccc(Cl)cc2Cl)CC1)[C@H]1CS(=O)(=O)C[C@@H]1O ZINC000022026653 558458993 /nfs/dbraw/zinc/45/89/93/558458993.db2.gz VHNRYGFZHVFUCZ-IRXDYDNUSA-N 1 1 421.390 2.047 40 0 HEABMO Cc1cc(-c2cnc(N3CCOCC3)nc2C2CC[NH+](Cc3c[nH]cn3)CC2)on1 ZINC000019123224 558844021 /nfs/dbraw/zinc/84/40/21/558844021.db2.gz PCYUIUMAFIMSBZ-UHFFFAOYSA-N 1 1 409.494 2.379 40 0 HEABMO Cc1cc(-c2cnc(N3CCOCC3)nc2C2CC[NH+](Cc3cnc[nH]3)CC2)on1 ZINC000019123224 558844022 /nfs/dbraw/zinc/84/40/22/558844022.db2.gz PCYUIUMAFIMSBZ-UHFFFAOYSA-N 1 1 409.494 2.379 40 0 HEABMO Cc1cccc(C[N@H+]2CC[C@H](c3nc4c(c(=O)[nH]3)CCN(C(=O)C3CCC3)C4)C2)n1 ZINC000019236156 558855219 /nfs/dbraw/zinc/85/52/19/558855219.db2.gz VUMHVLJIGXQOHZ-KRWDZBQOSA-N 1 1 407.518 2.148 40 0 HEABMO C[C@H]([NH2+]Cc1ccc2c(c1)n(C)c(=O)n2C)c1cc(=O)[nH]c(N2CCC(C)CC2)n1 ZINC000019497030 558895897 /nfs/dbraw/zinc/89/58/97/558895897.db2.gz YMJYYZHFVKNYNF-HNNXBMFYSA-N 1 1 410.522 2.047 40 0 HEABMO C[N@@H+]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)[C@@H](c2ccccc2)C1 ZINC000019589340 558940133 /nfs/dbraw/zinc/94/01/33/558940133.db2.gz HXVKSZUKOLCVNJ-UYAOXDASSA-N 1 1 421.497 2.326 40 0 HEABMO C[N@H+]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)[C@@H](c2ccccc2)C1 ZINC000019589340 558940135 /nfs/dbraw/zinc/94/01/35/558940135.db2.gz HXVKSZUKOLCVNJ-UYAOXDASSA-N 1 1 421.497 2.326 40 0 HEABMO COCC(=O)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2cccs2)CC3)C1 ZINC000019592800 558943636 /nfs/dbraw/zinc/94/36/36/558943636.db2.gz BEHGAKWERTVKKC-CQSZACIVSA-N 1 1 402.520 2.154 40 0 HEABMO COCCNC(=O)[C@@H]1C[N@@H+](CC2=CCCCC2)C[C@H]1c1ccnc(N2CCCC2)n1 ZINC000019593505 558944650 /nfs/dbraw/zinc/94/46/50/558944650.db2.gz XVGBGLHUYKHTGY-WOJBJXKFSA-N 1 1 413.566 2.355 40 0 HEABMO CC(=O)N1CCC([N@H+]2CCC[C@H](c3nccnc3-c3cccc(C(N)=O)c3)C2)CC1 ZINC000072359107 558954779 /nfs/dbraw/zinc/95/47/79/558954779.db2.gz LALMBESVQFCOLU-IBGZPJMESA-N 1 1 407.518 2.433 40 0 HEABMO COC[C@H](C)NC(=O)C[NH+]1CCC(c2ccc(-c3cccc(C(N)=O)c3)cn2)CC1 ZINC000019688017 558957569 /nfs/dbraw/zinc/95/75/69/558957569.db2.gz SBRLQNJDPBQKJM-INIZCTEOSA-N 1 1 410.518 2.178 40 0 HEABMO COCCNC(=O)C[NH+]1CCC([C@@H]2CC=CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000019698383 558965976 /nfs/dbraw/zinc/96/59/76/558965976.db2.gz HSSPIIFBHQRYLP-NRFANRHFSA-N 1 1 417.525 2.205 40 0 HEABMO CNc1nc([C@@H]2CCC[N@@H+](C)C2)nc2c1CCN(C(=O)Cc1ccc(OC)cc1)C2 ZINC000019707200 558969520 /nfs/dbraw/zinc/96/95/20/558969520.db2.gz WMCKHWUZPNCVJH-QGZVFWFLSA-N 1 1 409.534 2.464 40 0 HEABMO C[N@H+](Cc1cccnc1)C[C@@H]1CC2(CO1)CCN(S(=O)(=O)c1ccccn1)CC2 ZINC000585104612 559027185 /nfs/dbraw/zinc/02/71/85/559027185.db2.gz RMMVJVQDYYWDHM-IBGZPJMESA-N 1 1 416.547 2.168 40 0 HEABMO C[C@@H]1CC[N@@H+](C[C@H]2CC3(CO2)CCN(C(=O)Cc2ccc(O)cc2)CC3)C[C@H]1O ZINC000585105144 559027646 /nfs/dbraw/zinc/02/76/46/559027646.db2.gz ZKPSCDLRICGUNB-DUXKGJEZSA-N 1 1 402.535 2.035 40 0 HEABMO Cc1nc(C(=O)N2CCC3(CC2)NC(=O)[C@@H]2C[N@@H+](Cc4ccccc4)C[C@@H]23)cs1 ZINC000585106207 559028586 /nfs/dbraw/zinc/02/85/86/559028586.db2.gz DOXDSIQSMDEWNE-MSOLQXFVSA-N 1 1 410.543 2.304 40 0 HEABMO CCOC(=O)[C@@]12C[N@@H+](CCN(C)C)C[C@@H]1CN(C(=O)c1ccccc1C)CCC2 ZINC000585108087 559029852 /nfs/dbraw/zinc/02/98/52/559029852.db2.gz VMWVCEDJDCMVIX-XXBNENTESA-N 1 1 401.551 2.274 40 0 HEABMO CCOC(=O)[C@@]12CN(CC[NH+](C)C)C[C@@H]1CN(C(=O)c1ccccc1C)CCC2 ZINC000585108087 559029853 /nfs/dbraw/zinc/02/98/53/559029853.db2.gz VMWVCEDJDCMVIX-XXBNENTESA-N 1 1 401.551 2.274 40 0 HEABMO Cn1ccc(CC(=O)N2CCO[C@H](c3[nH+]cn4cc(-c5cccnc5)ccc34)C2)n1 ZINC000585113138 559030954 /nfs/dbraw/zinc/03/09/54/559030954.db2.gz KDSZXVCOKBVZBM-FQEVSTJZSA-N 1 1 402.458 2.272 40 0 HEABMO COc1ccc(C[N@@H+]2CCOC[C@@]3(CN(c4ccc(F)cc4)C(=O)CO3)C2)cc1 ZINC000096051311 559092329 /nfs/dbraw/zinc/09/23/29/559092329.db2.gz LWJQGPNTWFYVLX-QFIPXVFZSA-N 1 1 400.450 2.469 40 0 HEABMO COc1ccc(C[N@H+]2CCOC[C@@]3(CN(c4ccc(F)cc4)C(=O)CO3)C2)cc1 ZINC000096051311 559092330 /nfs/dbraw/zinc/09/23/30/559092330.db2.gz LWJQGPNTWFYVLX-QFIPXVFZSA-N 1 1 400.450 2.469 40 0 HEABMO CN1CC[C@]2(C[N@@H+](Cc3cccnc3)CC23CCN(C(=O)N2CCCC2)CC3)C1=O ZINC000096144291 559096493 /nfs/dbraw/zinc/09/64/93/559096493.db2.gz DHSJNCFRDRNJML-QHCPKHFHSA-N 1 1 411.550 2.044 40 0 HEABMO O=C(C[C@@H]1CC2(CC[NH2+]CC2)Oc2ccccc21)N1CCC(N2CCOCC2)CC1 ZINC000096156847 559100842 /nfs/dbraw/zinc/10/08/42/559100842.db2.gz NAXVLIZTMGWUKP-LJQANCHMSA-N 1 1 413.562 2.388 40 0 HEABMO CC[N@@H+](Cc1ccncc1)C[C@@]1(O)CCN(C(=O)c2ccc(Cl)cc2)C[C@@H]1O ZINC000585284267 559121010 /nfs/dbraw/zinc/12/10/10/559121010.db2.gz JHJAHISXZIRCQN-FPOVZHCZSA-N 1 1 403.910 2.195 40 0 HEABMO C[C@H]1C[N@H+]2C[C@H](O)C[C@H]2CN1Cc1cc2cc3c4c(c2oc1=O)CCCN4CCC3 ZINC000100109730 559129869 /nfs/dbraw/zinc/12/98/69/559129869.db2.gz IVKIWNTUSNLPBN-RYGJVYDSSA-N 1 1 409.530 2.131 40 0 HEABMO CCOCCOc1ccc(C[N@@H+](C)C[C@@]2(O)CCCN(c3ncccn3)C2)cc1 ZINC000257239737 559284058 /nfs/dbraw/zinc/28/40/58/559284058.db2.gz HQPIYEDOHXAPLF-QFIPXVFZSA-N 1 1 400.523 2.355 40 0 HEABMO COc1ccc(CN2CC3(C2)C[N@@H+](CCc2ccccc2)C[C@H]2C[C@@H](O)CN23)cc1 ZINC000514289513 560032466 /nfs/dbraw/zinc/03/24/66/560032466.db2.gz MZPKXMPKFSUIOE-DHIUTWEWSA-N 1 1 407.558 2.243 40 0 biogenic,in-vitro HEABMO COc1cc([C@@H](c2nnnn2C2CCCC2)N2CC[NH+](C)CC2)cc(OC)c1OC ZINC000019367064 560872880 /nfs/dbraw/zinc/87/28/80/560872880.db2.gz YRTYDLGZBIUHCB-IBGZPJMESA-N 1 1 416.526 2.151 40 0 HEABMO COCCn1nnnc1[C@H](c1ccccc1OC)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019594116 560875358 /nfs/dbraw/zinc/87/53/58/560875358.db2.gz YDDIEDANRPOQBX-QFIPXVFZSA-N 1 1 422.533 2.235 40 0 HEABMO CN1CC[NH+](C[C@@H](O)COc2ccc(Br)cc2Br)CC1 ZINC000022918087 560891138 /nfs/dbraw/zinc/89/11/38/560891138.db2.gz PJZYPJDCIBYRBD-GFCCVEGCSA-N 1 1 408.134 2.199 40 0 HEABMO CCOc1cc(C[NH2+]CCN(CC)CC)cc(Br)c1OCC(N)=O ZINC000022075608 568473916 /nfs/dbraw/zinc/47/39/16/568473916.db2.gz CTQHUXUFRBYYNV-UHFFFAOYSA-N 1 1 402.333 2.143 40 0 HEABMO COc1ccc(C(=O)NCC[NH+]2CCC(O)(c3ccccc3OC)CC2)cc1OC ZINC000057763002 568496924 /nfs/dbraw/zinc/49/69/24/568496924.db2.gz XRFLMVHCDXNJRB-UHFFFAOYSA-N 1 1 414.502 2.426 40 0 HEABMO Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1N(C)S(C)(=O)=O ZINC000222451677 568516036 /nfs/dbraw/zinc/51/60/36/568516036.db2.gz CRHDNSBSSWCBLX-UHFFFAOYSA-N 1 1 401.532 2.349 40 0 HEABMO Cc1ccc(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1NS(C)(=O)=O ZINC000224727432 568593789 /nfs/dbraw/zinc/59/37/89/568593789.db2.gz VIIUNPIUWKIMIP-UHFFFAOYSA-N 1 1 417.531 2.129 40 0 HEABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@H](c1ccccc1)N(C)S(C)(=O)=O ZINC000225779064 568674082 /nfs/dbraw/zinc/67/40/82/568674082.db2.gz BTLUOOKIGFHWIM-FQEVSTJZSA-N 1 1 412.515 2.430 40 0 HEABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@@H](c1ccccc1)N(C)S(C)(=O)=O ZINC000225779047 568674219 /nfs/dbraw/zinc/67/42/19/568674219.db2.gz BTLUOOKIGFHWIM-HXUWFJFHSA-N 1 1 412.515 2.430 40 0 HEABMO Cc1c(NC(=O)C[N@H+]2[C@H](Cc3ccccc3)C[C@]3(C)NC(=O)CCC[C@H]23)cnn1C ZINC000257251194 568790682 /nfs/dbraw/zinc/79/06/82/568790682.db2.gz JPUVZBITYZPXSH-RFWXGWTQSA-N 1 1 409.534 2.411 40 0 HEABMO Cc1nn(C)cc1NC(=O)C[N@H+]1[C@H](Cc2ccccc2)C[C@H]2NC(=O)CCCC[C@@H]21 ZINC000257280827 568798817 /nfs/dbraw/zinc/79/88/17/568798817.db2.gz OMOSJHVUTUKAPU-SBHAEUEKSA-N 1 1 409.534 2.411 40 0 HEABMO CCc1n[nH]cc1C(=O)N1CCC[C@](O)(C[N@@H+](C)Cc2ccc(OC)cc2)CC1 ZINC000257285689 568800141 /nfs/dbraw/zinc/80/01/41/568800141.db2.gz PIHKJGMZWQSOAY-JOCHJYFZSA-N 1 1 400.523 2.470 40 0 HEABMO CCc1n[nH]cc1C(=O)N1CCC[C@@](O)(C[N@@H+](C)Cc2ccc(OC)cc2)CC1 ZINC000257285690 568800288 /nfs/dbraw/zinc/80/02/88/568800288.db2.gz PIHKJGMZWQSOAY-QFIPXVFZSA-N 1 1 400.523 2.470 40 0 HEABMO COc1ccc(NC(=O)c2nnc3n2C[C@H]2C[N@H+](Cc4nccs4)C[C@@H]2C3)cc1 ZINC000306124428 568887463 /nfs/dbraw/zinc/88/74/63/568887463.db2.gz BPNFUMXSYZETSI-UONOGXRCSA-N 1 1 410.503 2.300 40 0 HEABMO Cc1cccc(C[N@@H+]2C[C@H]3Cc4nnc(C(=O)NCc5ccccc5)n4C[C@@H]3C2)n1 ZINC000306127356 568890358 /nfs/dbraw/zinc/89/03/58/568890358.db2.gz FWRSIHHKEGEYJR-MOPGFXCFSA-N 1 1 402.502 2.216 40 0 HEABMO CCn1cc(C[N@H+]2C[C@@H](c3cn(C(C)C)cn3)[C@@]3(CCN(CCOC)C3=O)C2)cn1 ZINC000306131462 568893689 /nfs/dbraw/zinc/89/36/89/568893689.db2.gz KFHHDUKEZGUQSN-SIKLNZKXSA-N 1 1 414.554 2.145 40 0 HEABMO Cc1c(C[N@H+]2CC[C@@]3(C2)COCc2cnc(N4CCC(F)(F)CC4)nc23)cnn1C ZINC000306139056 568900911 /nfs/dbraw/zinc/90/09/11/568900911.db2.gz SOEQUAPQRKBWHC-HXUWFJFHSA-N 1 1 418.492 2.428 40 0 HEABMO COc1ccc(-c2nnc3n(c2=O)CC[C@@]32CC[N@@H+](Cc3cccnc3OC)C2)cc1 ZINC000306141896 568903511 /nfs/dbraw/zinc/90/35/11/568903511.db2.gz WJKJBNNIFNETQF-HSZRJFAPSA-N 1 1 419.485 2.265 40 0 HEABMO Cc1ccc(C2(CN(CC[NH+](C)C)[C@H]3CS(=O)(=O)C[C@H]3O)CCCCC2)cc1 ZINC000248054826 569316076 /nfs/dbraw/zinc/31/60/76/569316076.db2.gz XZXRQGSCOGNBPP-LEWJYISDSA-N 1 1 408.608 2.218 40 0 HEABMO C[N@H+]1C[C@@H](C(=O)Nc2ccc(F)cc2)C[C@H]1C1CCN(C(=O)c2cnccn2)CC1 ZINC000248104932 569316236 /nfs/dbraw/zinc/31/62/36/569316236.db2.gz FSKVRIBFKQRMMP-JXFKEZNVSA-N 1 1 411.481 2.427 40 0 HEABMO CCn1cc(CN(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccc(CNC(C)=O)cc2)c(C)n1 ZINC000019699272 569346995 /nfs/dbraw/zinc/34/69/95/569346995.db2.gz YUWYROYKUNXNDI-YADHBBJMSA-N 1 1 411.550 2.151 40 0 HEABMO c1nscc1C[N@H+]1CC[C@@]2(C1)COCc1cnc(NCC3CCOCC3)nc12 ZINC000263621708 571043541 /nfs/dbraw/zinc/04/35/41/571043541.db2.gz BRQUKQHGMARTRH-HXUWFJFHSA-N 1 1 401.536 2.446 40 0 HEABMO c1nscc1C[N@@H+]1CC[C@@]2(C1)COCc1cnc(NCC3CCOCC3)nc12 ZINC000263621708 571043542 /nfs/dbraw/zinc/04/35/42/571043542.db2.gz BRQUKQHGMARTRH-HXUWFJFHSA-N 1 1 401.536 2.446 40 0 HEABMO CC(=O)N1CCC([N@H+]2CCC[C@H]2c2nc(-c3ccc(-n4ccnc4)nc3)no2)CC1 ZINC000035425717 291202384 /nfs/dbraw/zinc/20/23/84/291202384.db2.gz LXPVOMJWFHEDLJ-SFHVURJKSA-N 1 1 407.478 2.465 40 0 biogenic,in-vitro HEABMO C[NH+]1CCN(Cc2nc(C3(O)CCN(C(=O)c4cccc(F)c4)CC3)cs2)CC1 ZINC000225472909 291205419 /nfs/dbraw/zinc/20/54/19/291205419.db2.gz IMKOLQMSOARBTI-UHFFFAOYSA-N 1 1 418.538 2.153 40 0 biogenic,in-vitro HEABMO CCOC(=O)[C@@H]1C[C@]23C=C[C@]1(OC)[C@H]1Oc4c5c(ccc4OC)C[C@H]2[N@H+](C)CC[C@]513 ZINC000096316401 291204289 /nfs/dbraw/zinc/20/42/89/291204289.db2.gz ONBDLKAADLMHFE-ZTQYASMCSA-N 1 1 411.498 2.479 40 0 biogenic,in-vitro HEABMO CNC(=S)N(CCC[NH+]1CCOCC1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000019823628 521928967 /nfs/dbraw/zinc/92/89/67/521928967.db2.gz NQMOXHWSHVAQGF-UHFFFAOYSA-N 1 1 402.564 2.174 40 0 HEABMO CCc1nn2c(ncc3c2ccn(N2CC[NH+](C)CC2)c3=O)c1-c1ccc(F)cc1 ZINC000040396774 522712285 /nfs/dbraw/zinc/71/22/85/522712285.db2.gz QNXCHWWOQOFYLM-UHFFFAOYSA-N 1 1 406.465 2.296 40 0 HEABMO O=c1c2nnc3c(-c4ccc(Cl)cc4)cnn3c2ccn1CCC[NH+]1CCOCC1 ZINC000040395873 527470109 /nfs/dbraw/zinc/47/01/09/527470109.db2.gz CHLQOAXVZUZYGK-UHFFFAOYSA-N 1 1 424.892 2.482 40 0 HEABMO COc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@H+]2[C@]32c3ccccc3NC2=O)c1 ZINC000100203905 557270431 /nfs/dbraw/zinc/27/04/31/557270431.db2.gz GMNXXRIOIFEQEK-CROMWVBPSA-N 1 1 403.438 2.126 40 0 HEABMO CC1=[NH+]N(C(C)C)c2nc3c(c(=O)n(Cc4cccc(Cl)c4)c(=O)n3C)n2C1 ZINC000010366685 557283788 /nfs/dbraw/zinc/28/37/88/557283788.db2.gz WWYFGEOQOSDNAW-UHFFFAOYSA-N 1 1 400.870 2.203 40 0 HEABMO CC[NH+]1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)cc(C)cc3C)C2)CC1 ZINC000408559587 557456953 /nfs/dbraw/zinc/45/69/53/557456953.db2.gz MSJLSAAEUKYCMX-IBGZPJMESA-N 1 1 407.580 2.177 40 0 HEABMO C[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000408591641 557503899 /nfs/dbraw/zinc/50/38/99/557503899.db2.gz JUGCRUWXWOWONJ-IBGZPJMESA-N 1 1 421.950 2.004 40 0 HEABMO CC[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000408595499 557513035 /nfs/dbraw/zinc/51/30/35/557513035.db2.gz SAITXWOHZBIWTC-OAQYLSRUSA-N 1 1 415.559 2.049 40 0 HEABMO CC(C)[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000036569395 557849090 /nfs/dbraw/zinc/84/90/90/557849090.db2.gz ZVVINHNERSCXLG-DFQSSKMNSA-N 1 1 407.580 2.370 40 0 HEABMO COCCN1[NH+]=C(C)[C@@H](C)n2c1nc1c2c(=O)n(C/C=C/c2ccccc2)c(=O)n1C ZINC000010047696 557854572 /nfs/dbraw/zinc/85/45/72/557854572.db2.gz SCWAZFATAPBDNA-YCABEKBOSA-N 1 1 422.489 2.013 40 0 HEABMO C[N@@H+]1CCN(C(=O)c2cccn(CC(=O)NC3CCCC3)c2=O)[C@H](c2ccccc2)C1 ZINC000019750172 558270340 /nfs/dbraw/zinc/27/03/40/558270340.db2.gz SJAVXJGXETZBTP-NRFANRHFSA-N 1 1 422.529 2.036 40 0 HEABMO C[N@H+]1CCN(C(=O)c2cccn(CC(=O)NC3CCCC3)c2=O)[C@H](c2ccccc2)C1 ZINC000019750172 558270343 /nfs/dbraw/zinc/27/03/43/558270343.db2.gz SJAVXJGXETZBTP-NRFANRHFSA-N 1 1 422.529 2.036 40 0 HEABMO O=C(NC1CC[NH+]([C@@H]2CC(=O)N(CCc3ccccc3)C2=O)CC1)c1ccc(F)cc1 ZINC000022145835 558464641 /nfs/dbraw/zinc/46/46/41/558464641.db2.gz PFYYEXZDWSBOCQ-OAQYLSRUSA-N 1 1 423.488 2.390 40 0 HEABMO C[NH+]1CCN(C(=O)c2ccc(N(Cc3ccc(F)cc3)S(C)(=O)=O)cc2)CC1 ZINC000013683156 558567976 /nfs/dbraw/zinc/56/79/76/558567976.db2.gz UTKDUAIQPCYFSY-UHFFFAOYSA-N 1 1 405.495 2.180 40 0 HEABMO C[C@@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000038361181 558811284 /nfs/dbraw/zinc/81/12/84/558811284.db2.gz CRFVXGLDNHPFLJ-KRWDZBQOSA-N 1 1 419.522 2.325 40 0 HEABMO Cc1ccc(C)c(S(=O)(=O)N(C)CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000018940869 558836458 /nfs/dbraw/zinc/83/64/58/558836458.db2.gz JRDYLCSMXWVFBH-UHFFFAOYSA-N 1 1 415.559 2.268 40 0 HEABMO C[C@@H]1CCC[N@@H+](CCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)C1 ZINC000047110812 558841817 /nfs/dbraw/zinc/84/18/17/558841817.db2.gz LYOBYWQBNPDLNC-RTBURBONSA-N 1 1 407.580 2.326 40 0 HEABMO O=C(c1cccs1)N1CCc2nc([C@@H]3CCC[N@H+]3C3CCOCC3)[nH]c(=O)c2C1 ZINC000019342827 558872268 /nfs/dbraw/zinc/87/22/68/558872268.db2.gz FDLWTHFDXGATGG-KRWDZBQOSA-N 1 1 414.531 2.346 40 0 HEABMO O=C(c1cccs1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@H+](C1CCOCC1)CC2 ZINC000019342668 558872309 /nfs/dbraw/zinc/87/23/09/558872309.db2.gz YCUWNIIMJDJVTE-QGZVFWFLSA-N 1 1 414.531 2.346 40 0 HEABMO C[C@@H]1CN(C(=O)C[N@@H+]2C[C@H](c3csnn3)[C@@H](c3ccc(F)cc3)C2)C[C@H](C)O1 ZINC000019497245 558896115 /nfs/dbraw/zinc/89/61/15/558896115.db2.gz KJXMCRCETQORSC-NONVJHHQSA-N 1 1 404.511 2.496 40 0 HEABMO C[C@@H]1CN(C(=O)C[N@H+]2C[C@H](c3csnn3)[C@@H](c3ccc(F)cc3)C2)C[C@H](C)O1 ZINC000019497245 558896118 /nfs/dbraw/zinc/89/61/18/558896118.db2.gz KJXMCRCETQORSC-NONVJHHQSA-N 1 1 404.511 2.496 40 0 HEABMO COc1ccc(C[N@H+]2CCc3nc(N4CCCC4)[nH]c(=O)c3C2)cc1Cn1cccn1 ZINC000019559445 558920712 /nfs/dbraw/zinc/92/07/12/558920712.db2.gz FBURIGVOTQLOTD-UHFFFAOYSA-N 1 1 420.517 2.182 40 0 HEABMO COc1ccccc1C1(O)CC[NH+](CC(=O)NCCc2nc3ccccc3[nH]2)CC1 ZINC000019569240 558928299 /nfs/dbraw/zinc/92/82/99/558928299.db2.gz JWSCSDUBRWGHET-UHFFFAOYSA-N 1 1 408.502 2.214 40 0 HEABMO COc1ccc(CN(Cc2ccnc(N3CC[NH+](C)CC3)n2)C[C@@H]2CCCO2)cc1 ZINC000019590141 558940822 /nfs/dbraw/zinc/94/08/22/558940822.db2.gz YNYIDCGNLCZRAC-QFIPXVFZSA-N 1 1 411.550 2.418 40 0 HEABMO CC(=O)Nc1ccc(C[N@H+]2CCc3c(nc(N4C[C@@H](C)O[C@@H](C)C4)[nH]c3=O)C2)cc1 ZINC000072347266 558944060 /nfs/dbraw/zinc/94/40/60/558944060.db2.gz FNYKUOLKYZUBGW-GASCZTMLSA-N 1 1 411.506 2.313 40 0 HEABMO CC(=O)Nc1ccc(C[N@@H+]2CCc3c(nc(N4C[C@@H](C)O[C@@H](C)C4)[nH]c3=O)C2)cc1 ZINC000072347266 558944063 /nfs/dbraw/zinc/94/40/63/558944063.db2.gz FNYKUOLKYZUBGW-GASCZTMLSA-N 1 1 411.506 2.313 40 0 HEABMO COCCOc1ccc(C[N@H+]2CCc3nc(-c4cccnc4)[nH]c(=O)c3CC2)cc1 ZINC000019593734 558944943 /nfs/dbraw/zinc/94/49/43/558944943.db2.gz OKINWRYFHPMTBL-UHFFFAOYSA-N 1 1 406.486 2.458 40 0 HEABMO COc1ccc(CCC(=O)N2CC[N@@H+](C)C[C@@H](Cc3cc(N(C)C)ncn3)C2)cc1 ZINC000072355155 558952350 /nfs/dbraw/zinc/95/23/50/558952350.db2.gz GIIDSHXDKUREQZ-LJQANCHMSA-N 1 1 411.550 2.117 40 0 HEABMO CCCO[C@@H]1CCC[N@@H+](CC(=O)N2CC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)C1 ZINC000072373083 558960897 /nfs/dbraw/zinc/96/08/97/558960897.db2.gz UMUHEGOBNPTIDY-RBUKOAKNSA-N 1 1 416.566 2.177 40 0 HEABMO CC(=O)N1CCc2nc([C@@H]3CCC[N@H+](C)C3)nc(NCc3ccc(CO)cc3)c2C1 ZINC000019711300 558973359 /nfs/dbraw/zinc/97/33/59/558973359.db2.gz SULAUURQAKKGDD-LJQANCHMSA-N 1 1 409.534 2.295 40 0 HEABMO O=S(=O)(c1ccccc1F)N1C[C@@H]2CCC[N@H+]2C[C@H]1Cn1nnc2ccccc21 ZINC000257248561 558993688 /nfs/dbraw/zinc/99/36/88/558993688.db2.gz JEFGUQIDXKWKJY-HOTGVXAUSA-N 1 1 415.494 2.108 40 0 HEABMO C[C@@H]1CC[N@@H+](C[C@H]2CC3(CO2)CCN(S(=O)(=O)Cc2ccccc2)CC3)C[C@H]1O ZINC000585105136 559027638 /nfs/dbraw/zinc/02/76/38/559027638.db2.gz ZCYKQSSMODTAMS-HMXCVIKNSA-N 1 1 422.591 2.090 40 0 HEABMO CC[C@@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc(N(C)C)cc2)CC1 ZINC000585106177 559028494 /nfs/dbraw/zinc/02/84/94/559028494.db2.gz VSFVCGONHRWQKO-UIFIKXQLSA-N 1 1 412.578 2.451 40 0 HEABMO CCn1cc(C[N@H+]2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)N3CCC4(CCOC4)CC3)C2)cn1 ZINC000585109188 559030313 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CC[C@H]1CCCC[N@H+]1CCCNC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000260759360 568737735 /nfs/dbraw/zinc/73/77/35/568737735.db2.gz AUKPGNMGZYGXSV-KRWDZBQOSA-N 1 1 411.568 2.232 40 0 HEABMO C[C@@H](C(=O)NCCC[N@H+]1CCC[C@H](C)C1)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000260836826 568741100 /nfs/dbraw/zinc/74/11/00/568741100.db2.gz AAAQDQHDVUSGHM-GJZGRUSLSA-N 1 1 417.522 2.358 40 0 HEABMO O=C1CCCC[C@]2(C[N@@H+](Cc3ccnc(N4CCOCC4)n3)C[C@H]2c2ccccc2)N1 ZINC000257302739 568805181 /nfs/dbraw/zinc/80/51/81/568805181.db2.gz SECWXSLXCYOBHC-XUZZJYLKSA-N 1 1 421.545 2.342 40 0 HEABMO C[N@H+]1CCN(C(=O)C(C)(c2ccccc2)c2ccccc2)C[C@@](O)(Cn2cccn2)C1 ZINC000257327369 568812410 /nfs/dbraw/zinc/81/24/10/568812410.db2.gz XBBWXRVHADDXNX-RUZDIDTESA-N 1 1 418.541 2.394 40 0 HEABMO Cc1nc(C)c(C[N@H+]2CCOC[C@@]3(CC[C@H](CNC(=O)c4cccnc4)O3)C2)s1 ZINC000306124565 568887754 /nfs/dbraw/zinc/88/77/54/568887754.db2.gz BTPXMZVFIMXXJX-WIYYLYMNSA-N 1 1 416.547 2.335 40 0 HEABMO 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O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000033918920 558772256 /nfs/dbraw/zinc/77/22/56/558772256.db2.gz WFXJDXAYENAAMX-UXLLHSPISA-N 1 1 419.319 2.470 40 0 HEABMO C[C@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000038361182 558811272 /nfs/dbraw/zinc/81/12/72/558811272.db2.gz CRFVXGLDNHPFLJ-QGZVFWFLSA-N 1 1 419.522 2.325 40 0 HEABMO O=C(CCN1C(=O)CCC1=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000038372157 558811306 /nfs/dbraw/zinc/81/13/06/558811306.db2.gz IJAISZIIZDMURT-UHFFFAOYSA-N 1 1 405.498 2.459 40 0 HEABMO Cc1cnc(C(=O)N2CC[C@@H](c3nc4c(c(=O)[nH]3)CC[N@H+](C3CCCCC3)C4)C2)cn1 ZINC000019238825 558857566 /nfs/dbraw/zinc/85/75/66/558857566.db2.gz IBHKIOHXRJFDHT-MRXNPFEDSA-N 1 1 422.533 2.189 40 0 HEABMO CC(C)NC(=O)[C@@H]1C[C@H](C2CCN(S(=O)(=O)c3cccc(F)c3)CC2)[N@@H+](C)C1 ZINC000019449778 558888467 /nfs/dbraw/zinc/88/84/67/558888467.db2.gz LLHCUDZYNQBIEJ-VQIMIIECSA-N 1 1 411.543 2.071 40 0 HEABMO 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COc1cc(C[N@H+]2CCc3nc4cc(OC)c(OC)cc4c(=O)n3CC2)ccc1O ZINC000019550091 558914973 /nfs/dbraw/zinc/91/49/73/558914973.db2.gz RYNCXDLQDARGSS-UHFFFAOYSA-N 1 1 411.458 2.186 40 0 HEABMO COc1cc(C[N@@H+]2CCc3nc4cc(OC)c(OC)cc4c(=O)n3CC2)ccc1O ZINC000019550091 558914975 /nfs/dbraw/zinc/91/49/75/558914975.db2.gz RYNCXDLQDARGSS-UHFFFAOYSA-N 1 1 411.458 2.186 40 0 HEABMO COc1ccccc1N1CCN(C(=O)C[N@H+]2CCC[C@H](Cn3ccnc3C)C2)CC1 ZINC000019658089 558949859 /nfs/dbraw/zinc/94/98/59/558949859.db2.gz UBSBFCJJXQFEBN-FQEVSTJZSA-N 1 1 411.550 2.261 40 0 HEABMO COC[C@@H](C)NC(=O)C[NH+]1CCC(c2ccc(-c3ccc(C(N)=O)cc3)cn2)CC1 ZINC000019688011 558957563 /nfs/dbraw/zinc/95/75/63/558957563.db2.gz AMZRZEGGUYYMSP-MRXNPFEDSA-N 1 1 410.518 2.178 40 0 HEABMO Cn1cc(C(=O)N2CC[C@]3(C2)C[N@@H+](C)C[C@H]3COCc2cccnc2)c(C(F)F)n1 ZINC000585102856 559026285 /nfs/dbraw/zinc/02/62/85/559026285.db2.gz KWMUDBZIHSBDRZ-HRAATJIYSA-N 1 1 419.476 2.363 40 0 HEABMO Cn1ccc(CC(=O)N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC000585102687 559026291 /nfs/dbraw/zinc/02/62/91/559026291.db2.gz GBKYPXKQIWMOCH-ZJSXRUAMSA-N 1 1 423.561 2.135 40 0 HEABMO CN(C)c1ccc(CC(=O)N2CCC3(CO[C@H](C[N@H+]4CCC[C@H](O)C4)C3)CC2)cc1 ZINC000585104578 559027169 /nfs/dbraw/zinc/02/71/69/559027169.db2.gz QNZZBFPVQGNVDE-VXKWHMMOSA-N 1 1 415.578 2.150 40 0 HEABMO CC(C)CC[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000585105998 559028263 /nfs/dbraw/zinc/02/82/63/559028263.db2.gz BUFWRVQHKWQMLN-UXHICEINSA-N 1 1 419.591 2.075 40 0 HEABMO Cn1c2cc(C(=O)NCCC[NH+]3CCOCC3)n(-c3ncccn3)c2c2ccccc21 ZINC000096037296 559091039 /nfs/dbraw/zinc/09/10/39/559091039.db2.gz WOIIOEQMUZGSCK-UHFFFAOYSA-N 1 1 418.501 2.364 40 0 HEABMO O=C(NCC1CC1)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@H+](Cc1nccs1)CCC2 ZINC000096056144 559093896 /nfs/dbraw/zinc/09/38/96/559093896.db2.gz FXWCJYJWJLAOEL-UWJYYQICSA-N 1 1 412.563 2.178 40 0 HEABMO O=C(NCC1CC1)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@@H+](Cc1nccs1)CCC2 ZINC000096056144 559093898 /nfs/dbraw/zinc/09/38/98/559093898.db2.gz FXWCJYJWJLAOEL-UWJYYQICSA-N 1 1 412.563 2.178 40 0 HEABMO CC[N@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N(C)C)C1)CCN(S(=O)(=O)c1ccccc1)CC3 ZINC000096143882 559096233 /nfs/dbraw/zinc/09/62/33/559096233.db2.gz RLWJKMLPVVLZPU-SIKLNZKXSA-N 1 1 419.591 2.278 40 0 HEABMO CN1CCN(C(=O)c2ccc3ccc(N4CC[NH+](Cc5cccnc5)CC4)n3c2)CC1 ZINC000096155949 559100093 /nfs/dbraw/zinc/10/00/93/559100093.db2.gz BBEOMDAVQWVDNV-UHFFFAOYSA-N 1 1 418.545 2.044 40 0 HEABMO CCN1CC[C@@]2(C[N@@H+](CC(C)C)CC23CCN(C(=O)c2cc(C)on2)CC3)C1=O ZINC000096262761 559106762 /nfs/dbraw/zinc/10/67/62/559106762.db2.gz XMSNRIIPDBERCN-JOCHJYFZSA-N 1 1 402.539 2.416 40 0 HEABMO COCC[N@H+]1CC[C@H](c2nnc3ccc(C(=O)NCc4cccc(OC)c4)cn32)C1 ZINC000096267478 559108229 /nfs/dbraw/zinc/10/82/29/559108229.db2.gz YPEKJGILYBMGDH-KRWDZBQOSA-N 1 1 409.490 2.104 40 0 HEABMO COCCOc1cc(C[N@@H+](C)C[C@]2(O)CCN(c3ccc(F)cn3)C2)ccc1OC ZINC000585269616 559115475 /nfs/dbraw/zinc/11/54/75/559115475.db2.gz BZZZAOMPBFNOFM-JOCHJYFZSA-N 1 1 419.497 2.328 40 0 HEABMO CCOc1ccccc1OC[C@H](O)C[N@@H+](C)Cc1ccc(OCCOCCO)cc1 ZINC000585269871 559116093 /nfs/dbraw/zinc/11/60/93/559116093.db2.gz OADTWTHZJZWBGJ-HXUWFJFHSA-N 1 1 419.518 2.345 40 0 HEABMO COc1ccccc1CN1CC2(C1)C[N@@H+](CCc1ccccc1)C[C@H]1C[C@@H](O)CN12 ZINC000514289491 560032640 /nfs/dbraw/zinc/03/26/40/560032640.db2.gz MNAQRQMNXUYEPE-DHIUTWEWSA-N 1 1 407.558 2.243 40 0 biogenic,in-vitro HEABMO O=C(c1ccccc1)N1C[C@@H]2C[C@@H](O)C[N@H+]2C2(CN(Cc3cccc(Cl)c3)C2)C1 ZINC000514289229 560033158 /nfs/dbraw/zinc/03/31/58/560033158.db2.gz JXKSNAIEOYPDAG-LEWJYISDSA-N 1 1 411.933 2.486 40 0 biogenic,in-vitro HEABMO O=C(c1ccccc1)N1C[C@@H]2C[C@@H](O)C[N@@H+]2C2(CN(Cc3cccc(Cl)c3)C2)C1 ZINC000514289229 560033160 /nfs/dbraw/zinc/03/31/60/560033160.db2.gz JXKSNAIEOYPDAG-LEWJYISDSA-N 1 1 411.933 2.486 40 0 biogenic,in-vitro HEABMO CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 ZINC000101498975 560728702 /nfs/dbraw/zinc/72/87/02/560728702.db2.gz WDKZIRCIAYUKBA-OTWHNJEPSA-N 1 1 407.580 2.372 40 0 HEABMO CCC(C)(C)n1nnnc1[C@H](c1cc2ccc(C)cc2[nH]c1=O)N1CC[NH+](C)CC1 ZINC000019499609 560873436 /nfs/dbraw/zinc/87/34/36/560873436.db2.gz BTNDJOSJEVJCAE-IBGZPJMESA-N 1 1 409.538 2.305 40 0 HEABMO Cc1cccc(N([C@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)S(C)(=O)=O)c1 ZINC000220127769 568502560 /nfs/dbraw/zinc/50/25/60/568502560.db2.gz STLKAXVCCZDQHC-LJQANCHMSA-N 1 1 415.559 2.494 40 0 HEABMO Cc1[nH+]ccn1-c1ccc(CNS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000223707979 568556965 /nfs/dbraw/zinc/55/69/65/568556965.db2.gz YHACSXQVPQHCKG-UHFFFAOYSA-N 1 1 405.501 2.063 40 0 HEABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)CN(C)S(=O)(=O)c1ccc(OC)cc1 ZINC000224537031 568584105 /nfs/dbraw/zinc/58/41/05/568584105.db2.gz QHGMJRMVYGXTMD-QGZVFWFLSA-N 1 1 411.568 2.087 40 0 HEABMO CCS(=O)(=O)Nc1ccc(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000224562921 568585349 /nfs/dbraw/zinc/58/53/49/568585349.db2.gz SGLOCZYUSLJNLC-UHFFFAOYSA-N 1 1 417.531 2.210 40 0 HEABMO CCS(=O)(=O)N1CCC[C@H](C(=O)NCCNc2cc[nH+]c3cc(Cl)ccc23)C1 ZINC000260737131 568736508 /nfs/dbraw/zinc/73/65/08/568736508.db2.gz JXESQABXLZWWPB-AWEZNQCLSA-N 1 1 424.954 2.478 40 0 HEABMO CN([C@H](C(=O)NCCC[N@H+]1CCc2ccccc2C1)c1ccccc1)S(C)(=O)=O ZINC000260764122 568738026 /nfs/dbraw/zinc/73/80/26/568738026.db2.gz JWDVTAHULBMFGW-NRFANRHFSA-N 1 1 415.559 2.184 40 0 HEABMO C[C@@H]1CCC[N@@H+](CCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)C1 ZINC000260899541 568743223 /nfs/dbraw/zinc/74/32/23/568743223.db2.gz LYOBYWQBNPDLNC-MOPGFXCFSA-N 1 1 407.580 2.326 40 0 HEABMO Nc1nc(CCC(=O)N2CCC[C@](O)(C[N@H+]3CCc4ccccc4C3)CC2)cs1 ZINC000257225992 568783715 /nfs/dbraw/zinc/78/37/15/568783715.db2.gz FIRUYBLWXBAEIR-JOCHJYFZSA-N 1 1 414.575 2.460 40 0 HEABMO NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCN1CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000257233486 568785829 /nfs/dbraw/zinc/78/58/29/568785829.db2.gz GPMLRZZLUIQXJG-SFHVURJKSA-N 1 1 420.435 2.316 40 0 HEABMO NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCN1CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000257233486 568785831 /nfs/dbraw/zinc/78/58/31/568785831.db2.gz GPMLRZZLUIQXJG-SFHVURJKSA-N 1 1 420.435 2.316 40 0 HEABMO CC(=O)N1CC[NH+]([C@H]2CCN(C(=O)c3cc4cc(Cl)ccc4o3)CC[C@@H]2O)CC1 ZINC000257250880 568790488 /nfs/dbraw/zinc/79/04/88/568790488.db2.gz JOKGKZUJVCHUQZ-ROUUACIJSA-N 1 1 419.909 2.216 40 0 HEABMO Cc1cc(C(=O)N2CCC[C@](O)(C[N@@H+](C)Cc3ccc(F)cc3)CC2)[nH]c(=O)n1 ZINC000257252596 568791127 /nfs/dbraw/zinc/79/11/27/568791127.db2.gz JVIIVFKXJDFWQT-OAQYLSRUSA-N 1 1 402.470 2.119 40 0 HEABMO CNC(=O)c1ccc(-c2cccc([C@H]3CN(c4cc(C)[nH+]c(C)n4)CCO3)n2)cn1 ZINC000257264264 568794029 /nfs/dbraw/zinc/79/40/29/568794029.db2.gz LTQYSENOXSGNIW-HXUWFJFHSA-N 1 1 404.474 2.488 40 0 HEABMO CN(C(=O)COc1ccc2c(c1)CCCC2)[C@@H]1CCC[C@@H]([NH+]2CCOCC2)[C@@H]1O ZINC000257332001 568813617 /nfs/dbraw/zinc/81/36/17/568813617.db2.gz XVHKHVXCOYHJBL-MQSCRBSSSA-N 1 1 402.535 2.017 40 0 HEABMO Cc1ccc(C[N@H+]2CC[C@@]3(C2)Cn2c(nn(C4CCCC4)c(=O)c2=O)CO3)s1 ZINC000306123809 568886891 /nfs/dbraw/zinc/88/68/91/568886891.db2.gz AXMWTJWPWACBEZ-HXUWFJFHSA-N 1 1 402.520 2.065 40 0 HEABMO CC(C)n1cc(C[N@H+]2C[C@@H]3Cn4c(nnc4C(=O)NCc4ccccc4)C[C@@H]3C2)cn1 ZINC000306127278 568890026 /nfs/dbraw/zinc/89/00/26/568890026.db2.gz FTYWOYQVZZJNBH-WOJBJXKFSA-N 1 1 419.533 2.290 40 0 HEABMO CCn1cc(C[N@H+]2C[C@@H](c3cn(C(C)C)cn3)[C@]3(CCN(CCOC)C3=O)C2)cn1 ZINC000306131463 568893721 /nfs/dbraw/zinc/89/37/21/568893721.db2.gz KFHHDUKEZGUQSN-UGKGYDQZSA-N 1 1 414.554 2.145 40 0 HEABMO O=c1c(=O)n(C2CCCC2)nc2n1C[C@@]1(CC[N@@H+](Cc3cccc(Cl)c3)C1)OC2 ZINC000306134388 568896362 /nfs/dbraw/zinc/89/63/62/568896362.db2.gz NLNTYQYDZTYKDA-NRFANRHFSA-N 1 1 416.909 2.348 40 0 HEABMO O=c1c(=O)n(C2CCCC2)nc2n1C[C@@]1(CC[N@H+](Cc3cccc(Cl)c3)C1)OC2 ZINC000306134388 568896364 /nfs/dbraw/zinc/89/63/64/568896364.db2.gz NLNTYQYDZTYKDA-NRFANRHFSA-N 1 1 416.909 2.348 40 0 HEABMO O=C1N(Cc2ccncc2)CCO[C@@]12C[N@@H+](Cc1ccccn1)C[C@H]2c1cccnc1 ZINC000306141368 568903036 /nfs/dbraw/zinc/90/30/36/568903036.db2.gz VTDSFOBHQAYXQL-LADGPHEKSA-N 1 1 415.497 2.269 40 0 HEABMO COc1ncccc1C[N@H+]1CCC[C@@H](c2nc3ccc(N4CCOCC4)cn3n2)C1 ZINC000306141807 568903247 /nfs/dbraw/zinc/90/32/47/568903247.db2.gz WGVDWZJVZYGVKJ-QGZVFWFLSA-N 1 1 408.506 2.349 40 0 HEABMO COc1ccc2c(c1)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000103534795 569048639 /nfs/dbraw/zinc/04/86/39/569048639.db2.gz OASZSDRWHDSHDS-FZONSQQESA-N 1 1 421.428 2.266 40 0 HEABMO COc1ccc2c(c1)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000103534795 569048640 /nfs/dbraw/zinc/04/86/40/569048640.db2.gz OASZSDRWHDSHDS-FZONSQQESA-N 1 1 421.428 2.266 40 0 HEABMO C[C@@H]1Cc2cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)ccc2N1S(C)(=O)=O ZINC000020893059 569349704 /nfs/dbraw/zinc/34/97/04/569349704.db2.gz IEUHOKOHGDDOMS-QGZVFWFLSA-N 1 1 413.543 2.355 40 0 HEABMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccccc1C ZINC000408709035 557737076 /nfs/dbraw/zinc/73/70/76/557737076.db2.gz OHZBLNQBXRBQOL-LJQANCHMSA-N 1 1 422.529 2.464 40 0 HEABMO Cc1nnnn1-c1ccc(CC(=O)N2CC[N@@H+](Cc3ccco3)C[C@@H]2C(C)C)cc1 ZINC000012156504 558340483 /nfs/dbraw/zinc/34/04/83/558340483.db2.gz UQAUDNMMRYUUTM-OAQYLSRUSA-N 1 1 408.506 2.475 40 0 HEABMO Cc1nnnn1-c1ccc(CC(=O)N2CC[N@H+](Cc3ccco3)C[C@@H]2C(C)C)cc1 ZINC000012156504 558340484 /nfs/dbraw/zinc/34/04/84/558340484.db2.gz UQAUDNMMRYUUTM-OAQYLSRUSA-N 1 1 408.506 2.475 40 0 HEABMO C[NH+]1CCN(N2CN(Cc3ccc4c(c3)OCO4)Cn3c4ccccc4nc32)CC1 ZINC000020637238 558396455 /nfs/dbraw/zinc/39/64/55/558396455.db2.gz SXQZDEMWAQQKIE-UHFFFAOYSA-N 1 1 406.490 2.165 40 0 HEABMO C[N@@H+]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)[C@H](c2ccccc2)C1 ZINC000036734541 558801220 /nfs/dbraw/zinc/80/12/20/558801220.db2.gz HXVKSZUKOLCVNJ-QUCCMNQESA-N 1 1 421.497 2.326 40 0 HEABMO C[N@H+]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)[C@H](c2ccccc2)C1 ZINC000036734541 558801221 /nfs/dbraw/zinc/80/12/21/558801221.db2.gz HXVKSZUKOLCVNJ-QUCCMNQESA-N 1 1 421.497 2.326 40 0 HEABMO C[C@H]1CN(C(=O)C[N@@H+]2C[C@H](c3csnn3)[C@@H](c3ccc(F)cc3)C2)C[C@H](C)O1 ZINC000036743781 558802475 /nfs/dbraw/zinc/80/24/75/558802475.db2.gz KJXMCRCETQORSC-ZZCKCESHSA-N 1 1 404.511 2.496 40 0 HEABMO C[C@H]1CN(C(=O)C[N@H+]2C[C@H](c3csnn3)[C@@H](c3ccc(F)cc3)C2)C[C@H](C)O1 ZINC000036743781 558802477 /nfs/dbraw/zinc/80/24/77/558802477.db2.gz KJXMCRCETQORSC-ZZCKCESHSA-N 1 1 404.511 2.496 40 0 HEABMO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc3c(c(=O)[nH]2)CC[N@H+](C(C)C)C3)cc1 ZINC000019211451 558848477 /nfs/dbraw/zinc/84/84/77/558848477.db2.gz PPKIQMYAGPDXKE-LJQANCHMSA-N 1 1 416.547 2.371 40 0 HEABMO Cc1ccccc1C[N@@H+]1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CN(S(C)(=O)=O)CC2 ZINC000019237214 558856514 /nfs/dbraw/zinc/85/65/14/558856514.db2.gz CCMRLEBXTRGSJB-IBGZPJMESA-N 1 1 416.547 2.123 40 0 HEABMO Cc1ccccc1C[N@H+]1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CN(S(C)(=O)=O)CC2 ZINC000019237214 558856517 /nfs/dbraw/zinc/85/65/17/558856517.db2.gz CCMRLEBXTRGSJB-IBGZPJMESA-N 1 1 416.547 2.123 40 0 HEABMO Cn1nc(-c2ccccn2)cc1CN1CCC(NC(=O)C[NH+]2CCCCCC2)CC1 ZINC000019288951 558861801 /nfs/dbraw/zinc/86/18/01/558861801.db2.gz RPYJQKZZDAXTHO-UHFFFAOYSA-N 1 1 410.566 2.439 40 0 HEABMO O=C(Cn1cccn1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@H+](C1CCCCC1)CC2 ZINC000019406039 558884872 /nfs/dbraw/zinc/88/48/72/558884872.db2.gz WTEYBRLYVPQACU-FQEVSTJZSA-N 1 1 424.549 2.411 40 0 HEABMO CCc1[nH+]ccn1CC1(O)CCN(C(=O)[C@@H](CC)Oc2ccc3c(c2)OCO3)CC1 ZINC000019523603 558904727 /nfs/dbraw/zinc/90/47/27/558904727.db2.gz YVZWDPFQMIRLIR-QGZVFWFLSA-N 1 1 415.490 2.385 40 0 HEABMO COC(=O)[C@@]1(CC(=O)N2CCCC2)C(=O)C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cc1 ZINC000072340224 558939055 /nfs/dbraw/zinc/93/90/55/558939055.db2.gz RKJUGOOXKZJATC-KGVIQGDOSA-N 1 1 402.466 2.303 40 0 HEABMO COC(=O)[C@@]1(CC(=O)N2CCCC2)C(=O)C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cc1 ZINC000072340224 558939058 /nfs/dbraw/zinc/93/90/58/558939058.db2.gz RKJUGOOXKZJATC-KGVIQGDOSA-N 1 1 402.466 2.303 40 0 HEABMO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc(-n3cnnn3)cc2)cc1OC ZINC000019656761 558949496 /nfs/dbraw/zinc/94/94/96/558949496.db2.gz RACOAYZZEMVMKC-SFHVURJKSA-N 1 1 408.462 2.455 40 0 HEABMO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc(-n3cnnn3)cc2)cc1OC ZINC000019656761 558949498 /nfs/dbraw/zinc/94/94/98/558949498.db2.gz RACOAYZZEMVMKC-SFHVURJKSA-N 1 1 408.462 2.455 40 0 HEABMO CNc1nc([C@H]2CCC[N@@H+](C)C2)nc2c1CN(S(=O)(=O)c1ccc(F)cc1)CC2 ZINC000072372303 558959713 /nfs/dbraw/zinc/95/97/13/558959713.db2.gz APQVMYKYXHWRRT-AWEZNQCLSA-N 1 1 419.526 2.214 40 0 HEABMO COC[C@H](C)NC(=O)C[NH+]1CCC(c2cccc(Nc3nnc(C)s3)n2)CC1 ZINC000072376169 558965417 /nfs/dbraw/zinc/96/54/17/558965417.db2.gz LCLPCPAGGNEQKC-ZDUSSCGKSA-N 1 1 404.540 2.316 40 0 HEABMO CNc1cc(CN(C)C(C)=O)nc(C2CC[NH+](CC(=O)NC3CCCCC3)CC2)n1 ZINC000019710147 558971948 /nfs/dbraw/zinc/97/19/48/558971948.db2.gz AIIXBAHQXPVRMV-UHFFFAOYSA-N 1 1 416.570 2.125 40 0 HEABMO COC[C@@H]1CC2(C[N@H+]1Cc1cccnc1)CCN(C(=O)c1nnsc1C)CC2 ZINC000585103593 559025652 /nfs/dbraw/zinc/02/56/52/559025652.db2.gz KHJODKZOOMTDOC-KRWDZBQOSA-N 1 1 401.536 2.385 40 0 HEABMO COc1cc(OC)cc(C(=O)N2CCC3(CO[C@H](C[N@H+]4CCC[C@H]4CO)C3)CC2)c1 ZINC000585105088 559027537 /nfs/dbraw/zinc/02/75/37/559027537.db2.gz XRJHWGHORJUAQE-RXVVDRJESA-N 1 1 418.534 2.172 40 0 HEABMO C[C@@H]1CC[N@@H+](C[C@@H]2CC3(CO2)CCN(C(=O)Cc2ccc(O)cc2)CC3)C[C@H]1O ZINC000585105145 559027578 /nfs/dbraw/zinc/02/75/78/559027578.db2.gz ZKPSCDLRICGUNB-JRGCBEDISA-N 1 1 402.535 2.035 40 0 HEABMO Cn1cncc1C[N@H+]1CC[C@@H]2[C@@H](CO[C@H]2CC(=O)NCc2cc(F)cc(F)c2)C1 ZINC000585109506 559029386 /nfs/dbraw/zinc/02/93/86/559029386.db2.gz UZMIWURLPLPMTC-YSGRDPCXSA-N 1 1 404.461 2.242 40 0 HEABMO COc1ccc(C[N@H+]2CCC[C@]3(C(=O)N(C)C)CN(c4ncccn4)C[C@@H]3C2)cc1 ZINC000096056106 559093909 /nfs/dbraw/zinc/09/39/09/559093909.db2.gz ZEDFAZPQSCPEFQ-CVDCTZTESA-N 1 1 409.534 2.292 40 0 HEABMO CCOC(=O)[C@@]12C[N@@H+](Cc3cccc(C)n3)C[C@@H]1CN(Cc1cnn(C)c1)CCC2 ZINC000096056077 559093982 /nfs/dbraw/zinc/09/39/82/559093982.db2.gz NZQMNNFGUCXEPQ-REWPJTCUSA-N 1 1 411.550 2.401 40 0 HEABMO COc1cccc(C[N@H+]2CCC[C@@]3(CCN(S(=O)(=O)c4cn(C)cn4)C3)C2)c1 ZINC000096215609 559101894 /nfs/dbraw/zinc/10/18/94/559101894.db2.gz OJOYOAGEZLFRMT-HXUWFJFHSA-N 1 1 404.536 2.106 40 0 HEABMO O=C(NC1CC[NH+]([C@H]2CC(=O)N(CCc3ccccc3)C2=O)CC1)c1ccc(F)cc1 ZINC000096299801 559109004 /nfs/dbraw/zinc/10/90/04/559109004.db2.gz PFYYEXZDWSBOCQ-NRFANRHFSA-N 1 1 423.488 2.390 40 0 HEABMO CCCc1cnc(Nc2ccnc(C3CCN(C(=O)[C@H]4COCC[NH2+]4)CC3)n2)s1 ZINC000585262912 559111587 /nfs/dbraw/zinc/11/15/87/559111587.db2.gz DHZABUODDXFCAP-MRXNPFEDSA-N 1 1 416.551 2.324 40 0 HEABMO Cn1ccnc1COc1ccc(C[N@@H+](C)C[C@@]2(O)CCCN(c3ncccn3)C2)cc1 ZINC000585269899 559116111 /nfs/dbraw/zinc/11/61/11/559116111.db2.gz PBFZPKFJHVMHOK-QHCPKHFHSA-N 1 1 422.533 2.252 40 0 HEABMO CCOCCOc1ccc(C[N@H+]2CCC[C@H]3OC[C@@H](NC(C)=O)[C@](C)(O)C[C@H]32)cc1 ZINC000257206101 559282453 /nfs/dbraw/zinc/28/24/53/559282453.db2.gz BBVSOVVFDGAOOJ-SSGKUCQKSA-N 1 1 420.550 2.111 40 0 HEABMO Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CC[NH+](C)CC3)cc2)cc1C ZINC000409380375 560718570 /nfs/dbraw/zinc/71/85/70/560718570.db2.gz LVZGVKNSZJTODU-UHFFFAOYSA-N 1 1 417.531 2.257 40 0 HEABMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 ZINC000101498977 560728679 /nfs/dbraw/zinc/72/86/79/560728679.db2.gz WDKZIRCIAYUKBA-CEXWTWQISA-N 1 1 407.580 2.372 40 0 HEABMO O=c1c2cnc(N3CC[NH+](Cc4ccccc4)CC3)nc2ccn1CCc1c[nH]cn1 ZINC000009262589 560758287 /nfs/dbraw/zinc/75/82/87/560758287.db2.gz ALZNEGFDHGAHIB-UHFFFAOYSA-N 1 1 415.501 2.080 40 0 HEABMO CCc1ccccc1NC(=O)[C@@H]1CC(=O)NC(N2CC[NH+](Cc3ccccc3)CC2)=N1 ZINC000014606975 560846670 /nfs/dbraw/zinc/84/66/70/560846670.db2.gz UJDSASIFJBOSNP-NRFANRHFSA-N 1 1 419.529 2.250 40 0 HEABMO COc1ccc(C(=O)NC2CC[NH+](CC(=O)NCc3cccc(OC)c3)CC2)cc1 ZINC000015936114 560857538 /nfs/dbraw/zinc/85/75/38/560857538.db2.gz ZPSPLPGQZDJEDX-UHFFFAOYSA-N 1 1 411.502 2.214 40 0 HEABMO COc1cc([C@H](c2nnnn2C2CCCC2)N2CC[NH+](C)CC2)cc(OC)c1OC ZINC000019367063 560872877 /nfs/dbraw/zinc/87/28/77/560872877.db2.gz YRTYDLGZBIUHCB-LJQANCHMSA-N 1 1 416.526 2.151 40 0 HEABMO COc1ccc([C@H](c2nnnn2Cc2cccs2)N2CC[NH+](C)CC2)cc1OC ZINC000019589855 560873930 /nfs/dbraw/zinc/87/39/30/560873930.db2.gz RHGHRSGGUPJPEK-LJQANCHMSA-N 1 1 414.535 2.137 40 0 HEABMO CNC(=S)N(CCC[NH+]1CCOCC1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000019823471 560875872 /nfs/dbraw/zinc/87/58/72/560875872.db2.gz BUXWHOAXGJGJLD-UHFFFAOYSA-N 1 1 402.564 2.174 40 0 HEABMO CCNC(=S)N(CCC[NH+]1CCOCC1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000019822639 560875946 /nfs/dbraw/zinc/87/59/46/560875946.db2.gz DIIMNWPCMMKWNO-UHFFFAOYSA-N 1 1 402.564 2.255 40 0 HEABMO Cc1ccc2cc([C@H](c3nnnn3C3CCCC3)N3CC[NH+](C)CC3)c(=O)[nH]c2c1 ZINC000019940559 560877203 /nfs/dbraw/zinc/87/72/03/560877203.db2.gz PYSYLSJNXLAYRQ-HXUWFJFHSA-N 1 1 407.522 2.275 40 0 HEABMO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)N3CC[NH+](C)CC3)cc2c1 ZINC000019972936 560877692 /nfs/dbraw/zinc/87/76/92/560877692.db2.gz HVLYTLASTYZRKN-LJQANCHMSA-N 1 1 409.538 2.169 40 0 HEABMO Cc1cc(OC[C@@H](O)CN2CC[NH+](C[C@@H](O)COC(C)C)CC2)cc(C)c1Cl ZINC000022041361 560890824 /nfs/dbraw/zinc/89/08/24/560890824.db2.gz XHDFSXYOJBVTGO-MOPGFXCFSA-N 1 1 414.974 2.100 40 0 HEABMO CC1CC[NH+](CCCNS(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)CC1 ZINC000224296409 568576853 /nfs/dbraw/zinc/57/68/53/568576853.db2.gz AXSVWFOFPSYQIF-UHFFFAOYSA-N 1 1 423.564 2.191 40 0 HEABMO Cc1cc(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)ccc1NS(C)(=O)=O ZINC000224727623 568593854 /nfs/dbraw/zinc/59/38/54/568593854.db2.gz OEPKNJJIWXPFLZ-UHFFFAOYSA-N 1 1 417.531 2.129 40 0 HEABMO CC(=O)N1CC[NH+]([C@@H]2CCC[C@@H](NC(=O)c3cc4cc(Cl)ccc4o3)[C@H]2O)CC1 ZINC000257211859 568779517 /nfs/dbraw/zinc/77/95/17/568779517.db2.gz CATPPDMPUJCAFJ-MBOZVWFJSA-N 1 1 419.909 2.262 40 0 HEABMO COc1ccc(C[N@H+]2CC[C@H](c3nc(C)c(CC(=O)N4CCOCC4)c(C)n3)C2)cc1 ZINC000257247538 568789406 /nfs/dbraw/zinc/78/94/06/568789406.db2.gz IZKQWTSWNQMTHD-FQEVSTJZSA-N 1 1 424.545 2.493 40 0 HEABMO COc1ccc(CCNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2c2cccc(CNC(C)=O)c2)cc1 ZINC000257277342 568797642 /nfs/dbraw/zinc/79/76/42/568797642.db2.gz NXPOHZWMTLTCOG-DHIUTWEWSA-N 1 1 409.530 2.335 40 0 HEABMO CNC(=O)[C@]1(c2ccccn2)CCC[N@H+](CC(=O)Nc2ccc(N3CCCC3)cc2)C1 ZINC000257310910 568807544 /nfs/dbraw/zinc/80/75/44/568807544.db2.gz UHDBWQNYBQWBJO-XMMPIXPASA-N 1 1 421.545 2.400 40 0 HEABMO CNC(=O)[C@]1(c2ccccn2)CCC[N@@H+](CC(=O)Nc2ccc(N3CCCC3)cc2)C1 ZINC000257310910 568807546 /nfs/dbraw/zinc/80/75/46/568807546.db2.gz UHDBWQNYBQWBJO-XMMPIXPASA-N 1 1 421.545 2.400 40 0 HEABMO Cc1ccc(C(=O)N2CCC3(CC2)C[N@@H+](C)C[C@@H](C(=O)NCc2ccco2)O3)s1 ZINC000306123058 568886253 /nfs/dbraw/zinc/88/62/53/568886253.db2.gz ADPBEXONMMKHNL-KRWDZBQOSA-N 1 1 417.531 2.271 40 0 HEABMO COc1ccc(NC(=O)c2nnc3n2C[C@@H]2C[N@H+](Cc4nccs4)C[C@H]2C3)cc1 ZINC000306124427 568887434 /nfs/dbraw/zinc/88/74/34/568887434.db2.gz BPNFUMXSYZETSI-KGLIPLIRSA-N 1 1 410.503 2.300 40 0 HEABMO O=C(NCC1CC1)[C@]12CN(c3ncccn3)C[C@@H]1C[N@H+](Cc1nccs1)CCC2 ZINC000306127397 568890335 /nfs/dbraw/zinc/89/03/35/568890335.db2.gz FXWCJYJWJLAOEL-LAUBAEHRSA-N 1 1 412.563 2.178 40 0 HEABMO O=C(NCC1CC1)[C@]12CN(c3ncccn3)C[C@@H]1C[N@@H+](Cc1nccs1)CCC2 ZINC000306127397 568890336 /nfs/dbraw/zinc/89/03/36/568890336.db2.gz FXWCJYJWJLAOEL-LAUBAEHRSA-N 1 1 412.563 2.178 40 0 HEABMO Cn1cc(C[N@H+]2C[C@@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccccc2)C3=O)cn1 ZINC000306133913 568895839 /nfs/dbraw/zinc/89/58/39/568895839.db2.gz MZDQKQLFWHTJCB-LADGPHEKSA-N 1 1 417.513 2.212 40 0 HEABMO Cc1ccc(C[N@@H+]2CC[C@]3(C2)Cn2c(nnc2C(=O)NCC(C)C)CN3C)cc1C ZINC000306139250 568901103 /nfs/dbraw/zinc/90/11/03/568901103.db2.gz STGGTCXLCMJEHY-QHCPKHFHSA-N 1 1 410.566 2.371 40 0 HEABMO CC(=O)N[C@H]1CCCC[C@@]12C[N@H+](Cc1c(C)n(C)n(-c3ccccc3)c1=O)CCO2 ZINC000306140811 568902557 /nfs/dbraw/zinc/90/25/57/568902557.db2.gz VENNVLBNNMVINH-JTHBVZDNSA-N 1 1 412.534 2.134 40 0 HEABMO CC(=O)N[C@H]1CCCC[C@@]12C[N@@H+](Cc1c(C)n(C)n(-c3ccccc3)c1=O)CCO2 ZINC000306140811 568902559 /nfs/dbraw/zinc/90/25/59/568902559.db2.gz VENNVLBNNMVINH-JTHBVZDNSA-N 1 1 412.534 2.134 40 0 HEABMO O=C1N(Cc2ccncc2)CCO[C@@]12C[N@@H+](Cc1ccccn1)C[C@@H]2c1cccnc1 ZINC000306141367 568902988 /nfs/dbraw/zinc/90/29/88/568902988.db2.gz VTDSFOBHQAYXQL-ISKFKSNPSA-N 1 1 415.497 2.269 40 0 HEABMO O=c1c(=O)n(Cc2cccs2)nc2n1CC[C@]21CC[N@@H+](Cc2ccsc2)C1 ZINC000306144130 568905425 /nfs/dbraw/zinc/90/54/25/568905425.db2.gz YWTDISVRBRGEIM-IBGZPJMESA-N 1 1 400.529 2.124 40 0 HEABMO CC(=O)N1CC[C@@](Cc2cc(-c3ccccc3)no2)(C(=O)N2CCC[N@H+](C)CC2)C1 ZINC000019703564 569347557 /nfs/dbraw/zinc/34/75/57/569347557.db2.gz SYWDLHQQVQUTFQ-QHCPKHFHSA-N 1 1 410.518 2.287 40 0 HEABMO C[NH+]1CCN(Cc2nc(C3(O)CCN(C(=O)c4ccccc4)CC3)cs2)CC1 ZINC000225472605 291205400 /nfs/dbraw/zinc/20/54/00/291205400.db2.gz KCAXIQPGSIEHSA-UHFFFAOYSA-N 1 1 400.548 2.014 40 0 biogenic,in-vitro HEABMO COCCOc1ccc(-c2noc([C@@H]3CCC[N@H+]3C3CCN(C(C)=O)CC3)n2)cn1 ZINC000035425370 291206607 /nfs/dbraw/zinc/20/66/07/291206607.db2.gz LZZXHVITSHDVHB-SFHVURJKSA-N 1 1 415.494 2.305 40 0 biogenic,in-vitro HEABMO Cc1ccc(C)c(NS(=O)(=O)c2ccc(OCC(=O)N3CC[NH+](C)CC3)cc2)c1 ZINC000034792969 557016586 /nfs/dbraw/zinc/01/65/86/557016586.db2.gz LNEGAFUCYBXRCX-UHFFFAOYSA-N 1 1 417.531 2.257 40 0 HEABMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)C1 ZINC000020244476 558350996 /nfs/dbraw/zinc/35/09/96/558350996.db2.gz OSSLXEQKYNGJCP-CALCHBBNSA-N 1 1 410.584 2.027 40 0 HEABMO CCc1cccc2c(CC(=O)N(CC[NH+](C)C)[C@@H]3CCS(=O)(=O)C3)c(C)[nH]c21 ZINC000012276674 558364405 /nfs/dbraw/zinc/36/44/05/558364405.db2.gz FFAWJQMHQUMQJE-QGZVFWFLSA-N 1 1 405.564 2.159 40 0 HEABMO O=C(C1CC1)N1CCCc2cc([C@H](O)C[NH+]3CCN(c4ncccn4)CC3)ccc21 ZINC000036741235 558802110 /nfs/dbraw/zinc/80/21/10/558802110.db2.gz PXTHWAAFYGWLML-OAQYLSRUSA-N 1 1 407.518 2.021 40 0 HEABMO CC(C)(CN1CCOCC1)C[N@H+]1CCc2c([nH]c3cc(-c4ccco4)nn3c2=O)C1 ZINC000019084972 558840945 /nfs/dbraw/zinc/84/09/45/558840945.db2.gz XYGPXOKEEPOJPD-UHFFFAOYSA-N 1 1 411.506 2.411 40 0 HEABMO C[C@H]1CCC[N@@H+](CCCNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000047111237 558841821 /nfs/dbraw/zinc/84/18/21/558841821.db2.gz LCQQZUBUUUXDJA-SFHVURJKSA-N 1 1 407.580 2.326 40 0 HEABMO COc1cc(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc(OC)c1OC ZINC000047227421 558841825 /nfs/dbraw/zinc/84/18/25/558841825.db2.gz GZZMXBDZUHJILN-UHFFFAOYSA-N 1 1 400.475 2.475 40 0 HEABMO CC(C)COc1cccc(C[N@H+]2CCc3nc(N4CCOCC4)[nH]c(=O)c3CC2)c1 ZINC000019447375 558886510 /nfs/dbraw/zinc/88/65/10/558886510.db2.gz HAQXGIYBWIKNEB-UHFFFAOYSA-N 1 1 412.534 2.242 40 0 HEABMO COc1cc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)C[N@H+](C(C)C)CC3)ccn1 ZINC000019448188 558887126 /nfs/dbraw/zinc/88/71/26/558887126.db2.gz RUVHSWXGTJMTKJ-GOSISDBHSA-N 1 1 411.506 2.307 40 0 HEABMO CC(C)NC(=O)[C@H]1C[C@H](C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)[N@@H+](C)C1 ZINC000019449772 558888453 /nfs/dbraw/zinc/88/84/53/558888453.db2.gz RBTNXVRBVQECEK-QFBILLFUSA-N 1 1 411.543 2.071 40 0 HEABMO CC(C)NC(=O)[C@@H]1C[C@H](C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)[N@@H+](C)C1 ZINC000019449770 558888476 /nfs/dbraw/zinc/88/84/76/558888476.db2.gz RBTNXVRBVQECEK-VQIMIIECSA-N 1 1 411.543 2.071 40 0 HEABMO CC(C)OCC[NH+]1CCN(C(=O)C23C[C@H]4C[C@@H](C2)CC(n2cncn2)(C4)C3)CC1 ZINC000019450431 558888874 /nfs/dbraw/zinc/88/88/74/558888874.db2.gz VLRCXHFGGIPCOQ-IVCWUUCSSA-N 1 1 401.555 2.143 40 0 HEABMO C[C@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccncc1)C2 ZINC000019463391 558894416 /nfs/dbraw/zinc/89/44/16/558894416.db2.gz GQEJABFVPSXWEN-ZAAXVRCTSA-N 1 1 407.518 2.433 40 0 HEABMO C[C@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1ccncc1)C2 ZINC000019463391 558894419 /nfs/dbraw/zinc/89/44/19/558894419.db2.gz GQEJABFVPSXWEN-ZAAXVRCTSA-N 1 1 407.518 2.433 40 0 HEABMO COc1ccc(C[N@H+]2C[C@@H](c3cccc(F)c3)[C@]3(C2)COCCC(=O)N3)cc1CO ZINC000019559382 558920738 /nfs/dbraw/zinc/92/07/38/558920738.db2.gz JOGXLXODKRIYQX-REWPJTCUSA-N 1 1 414.477 2.201 40 0 HEABMO COc1ccccc1C[N@H+]1CCc2nc([C@@H]3CCN(C(=O)C4CC4)C3)[nH]c(=O)c2C1 ZINC000019570566 558929424 /nfs/dbraw/zinc/92/94/24/558929424.db2.gz NJJWZDDZOBYLGF-QGZVFWFLSA-N 1 1 408.502 2.475 40 0 HEABMO CCCc1nn(CC(=O)NC[C@@H]2CCC[N@H+]2CC)c(=O)c2cc3ccsc3n21 ZINC000072335266 558936204 /nfs/dbraw/zinc/93/62/04/558936204.db2.gz QMMCXOVHOOJYIW-HNNXBMFYSA-N 1 1 401.536 2.264 40 0 HEABMO COCCc1ncc(C[N@H+]2CCC[C@H](c3cc(=O)[nH]c(N4CCCCC4)n3)C2)cn1 ZINC000019593845 558945144 /nfs/dbraw/zinc/94/51/44/558945144.db2.gz LFYPOIDUTYOSDT-SFHVURJKSA-N 1 1 412.538 2.119 40 0 HEABMO C[NH+]1CCN(c2cc(C(=O)Nc3cc4c(cc3Cl)NC(=O)CO4)ccn2)CC1 ZINC000019662513 558953372 /nfs/dbraw/zinc/95/33/72/558953372.db2.gz OZHSODPVBUHIEA-UHFFFAOYSA-N 1 1 401.854 2.070 40 0 HEABMO COc1cccc(Cn2cc(NC(=O)c3ccnc(N4CC[NH+](C)CC4)c3)cn2)c1 ZINC000019662572 558953713 /nfs/dbraw/zinc/95/37/13/558953713.db2.gz UPGZWWAELSKLAG-UHFFFAOYSA-N 1 1 406.490 2.339 40 0 HEABMO NC(=O)[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C(=O)c2ccccc2)C1 ZINC000072373043 558960830 /nfs/dbraw/zinc/96/08/30/558960830.db2.gz HKCULRPHOXOPES-FSSWDIPSSA-N 1 1 419.525 2.341 40 0 HEABMO CNc1nc(C2CCN(S(=O)(=O)c3ccccc3)CC2)nc2c1CC[N@H+](C)C2 ZINC000019710939 558973208 /nfs/dbraw/zinc/97/32/08/558973208.db2.gz NBKABTDSMAYCQV-UHFFFAOYSA-N 1 1 401.536 2.075 40 0 HEABMO CNc1nc(C2CCN(S(=O)(=O)c3ccccc3)CC2)nc2c1CC[N@@H+](C)C2 ZINC000019710939 558973211 /nfs/dbraw/zinc/97/32/11/558973211.db2.gz NBKABTDSMAYCQV-UHFFFAOYSA-N 1 1 401.536 2.075 40 0 HEABMO [NH3+]C[C@H]1CC[C@H](C(=O)N2CCC[C@H](C3=Nc4ccccc4S(=O)(=O)N3)C2)CC1 ZINC000257205654 558988940 /nfs/dbraw/zinc/98/89/40/558988940.db2.gz BAAFRJROPJVASZ-JYJNAYRXSA-N 1 1 404.536 2.012 40 0 HEABMO COC[C@H]1CC2(C[N@H+]1Cc1cccnc1)CCN(C(=O)c1nnsc1C)CC2 ZINC000585103604 559025608 /nfs/dbraw/zinc/02/56/08/559025608.db2.gz KHJODKZOOMTDOC-QGZVFWFLSA-N 1 1 401.536 2.385 40 0 HEABMO CN(C)c1ccc(CC(=O)N2CCC3(CO[C@@H](C[N@H+]4CCC[C@H](O)C4)C3)CC2)cc1 ZINC000585104576 559027144 /nfs/dbraw/zinc/02/71/44/559027144.db2.gz QNZZBFPVQGNVDE-FCHUYYIVSA-N 1 1 415.578 2.150 40 0 HEABMO CN(C)c1ccc(CC(=O)N2CCC3(CO[C@H](C[NH+]4CCOCC4)C3)CC2)cc1 ZINC000585104822 559027275 /nfs/dbraw/zinc/02/72/75/559027275.db2.gz TVQQPYIYNTZHIL-NRFANRHFSA-N 1 1 401.551 2.025 40 0 HEABMO CC[C@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000585106125 559028430 /nfs/dbraw/zinc/02/84/30/559028430.db2.gz OHOYIKYSHVDOJG-DBVUQKKJSA-N 1 1 401.526 2.453 40 0 HEABMO CC[C@@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2cc(C3CC3)on2)CC1 ZINC000585106110 559028470 /nfs/dbraw/zinc/02/84/70/559028470.db2.gz MWAYIGHUPJJXSE-OIISXLGYSA-N 1 1 400.523 2.251 40 0 HEABMO CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000585106294 559028732 /nfs/dbraw/zinc/02/87/32/559028732.db2.gz OUOSANMQVNWOLL-QRQLOZEOSA-N 1 1 405.564 2.076 40 0 HEABMO COc1ncccc1C[NH+]1CCC2(CC1)C(=O)N(C)CCN2Cc1csc(C)n1 ZINC000096230298 559102851 /nfs/dbraw/zinc/10/28/51/559102851.db2.gz WDCUXYNHHPHDJS-UHFFFAOYSA-N 1 1 415.563 2.164 40 0 HEABMO CCN1CC[C@]2(C[N@@H+](CCOC)CC23CCN(C(=O)c2ccc(C)o2)CC3)C1=O ZINC000096262786 559106738 /nfs/dbraw/zinc/10/67/38/559106738.db2.gz JSHDAQNOXXWMSQ-QFIPXVFZSA-N 1 1 403.523 2.011 40 0 HEABMO CCN1CC[C@@]2(C[N@@H+](CCOC)CC23CCN(C(=O)c2ccc(C)o2)CC3)C1=O ZINC000096262787 559106778 /nfs/dbraw/zinc/10/67/78/559106778.db2.gz JSHDAQNOXXWMSQ-JOCHJYFZSA-N 1 1 403.523 2.011 40 0 HEABMO OCCOCCOc1ccc(C[N@H+]2C[C@H](O)[C@@H](Oc3cccc(Cl)c3)C2)cc1 ZINC000585268702 559113030 /nfs/dbraw/zinc/11/30/30/559113030.db2.gz FVWCNRZTDMFUMI-SFTDATJTSA-N 1 1 407.894 2.352 40 0 HEABMO CCOC(=O)N1CCC([N@H+]2CCOC[C@@](O)(COc3cc(F)cc(F)c3)C2)CC1 ZINC000585283006 559120374 /nfs/dbraw/zinc/12/03/74/559120374.db2.gz OJUSTMCFVDILHM-HXUWFJFHSA-N 1 1 414.449 2.028 40 0 HEABMO CCN1CC[C@@]2(CN(c3ncccn3)CC23CC[NH+](Cc2nccs2)CC3)C1=O ZINC000097952894 559125056 /nfs/dbraw/zinc/12/50/56/559125056.db2.gz BQXVTNFZEDAGNU-OAQYLSRUSA-N 1 1 412.563 2.274 40 0 HEABMO CCN1CC[C@]2(CN(c3ncccn3)CC23CC[NH+](Cc2nccs2)CC3)C1=O ZINC000097952893 559125081 /nfs/dbraw/zinc/12/50/81/559125081.db2.gz BQXVTNFZEDAGNU-NRFANRHFSA-N 1 1 412.563 2.274 40 0 HEABMO CCOCCOc1ccc(C[N@@H+](C)C[C@@]2(O)CCCN(c3cnccn3)C2)cc1 ZINC000257308761 559286184 /nfs/dbraw/zinc/28/61/84/559286184.db2.gz TXZLAFHIWDVSLD-QFIPXVFZSA-N 1 1 400.523 2.355 40 0 HEABMO COc1ccc(OC)c([C@H](c2nnnn2CCc2ccccc2)N2CC[NH+](C)CC2)c1 ZINC000019589821 560874338 /nfs/dbraw/zinc/87/43/38/560874338.db2.gz USJTWJRGFRHNBP-JOCHJYFZSA-N 1 1 422.533 2.270 40 0 HEABMO CC[NH+]1CCN([C@@H](c2nnnn2Cc2ccc(OC)cc2)c2ccccc2OC)CC1 ZINC000019528104 560874807 /nfs/dbraw/zinc/87/48/07/560874807.db2.gz NNJDYKCIAFQNEJ-JOCHJYFZSA-N 1 1 422.533 2.466 40 0 HEABMO CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(C)ccc2[nH]c1=O)N1CC[NH+](C)CC1 ZINC000019941358 560877220 /nfs/dbraw/zinc/87/72/20/560877220.db2.gz GMXMGNWSKQRONU-LJQANCHMSA-N 1 1 409.538 2.305 40 0 HEABMO Cc1ccc(N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)S(C)(=O)=O)c(C)c1 ZINC000020236741 560882980 /nfs/dbraw/zinc/88/29/80/560882980.db2.gz JCRIZEJUVJHPNP-UHFFFAOYSA-N 1 1 415.559 2.414 40 0 HEABMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)CN3C(=O)[C@@H]4[C@@H]5C=C[C@@H](C5)[C@@H]4C3=O)cc2)C1 ZINC000195529029 560884281 /nfs/dbraw/zinc/88/42/81/560884281.db2.gz JKOAALIAIJEOTA-GVIRJEMTSA-N 1 1 421.541 2.342 40 0 HEABMO COc1cccc(N2C(=O)[C@H]3[C@H]4CCC[N@@H+]4[C@@]4(C(=O)Nc5ccc(F)cc54)[C@@H]3C2=O)c1 ZINC000033821729 568521693 /nfs/dbraw/zinc/52/16/93/568521693.db2.gz YGCDOUMFPHRBGL-GKAYAJSDSA-N 1 1 421.428 2.266 40 0 HEABMO COc1cccc(N2C(=O)[C@H]3[C@H]4CCC[N@H+]4[C@@]4(C(=O)Nc5ccc(F)cc54)[C@@H]3C2=O)c1 ZINC000033821729 568521695 /nfs/dbraw/zinc/52/16/95/568521695.db2.gz YGCDOUMFPHRBGL-GKAYAJSDSA-N 1 1 421.428 2.266 40 0 HEABMO C[C@H]1CCC[N@H+](CCCNS(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)C1 ZINC000223374176 568546931 /nfs/dbraw/zinc/54/69/31/568546931.db2.gz YSLMQCHBEPTJNC-AWEZNQCLSA-N 1 1 423.564 2.191 40 0 HEABMO C[C@H]1CCC[N@@H+](CCCNS(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)C1 ZINC000223374176 568546933 /nfs/dbraw/zinc/54/69/33/568546933.db2.gz YSLMQCHBEPTJNC-AWEZNQCLSA-N 1 1 423.564 2.191 40 0 HEABMO C[C@@H]1CCC[N@H+](CCCNS(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)C1 ZINC000223374120 568546941 /nfs/dbraw/zinc/54/69/41/568546941.db2.gz YSLMQCHBEPTJNC-CQSZACIVSA-N 1 1 423.564 2.191 40 0 HEABMO C[C@@H]1CCC[N@@H+](CCCNS(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)C1 ZINC000223374120 568546942 /nfs/dbraw/zinc/54/69/42/568546942.db2.gz YSLMQCHBEPTJNC-CQSZACIVSA-N 1 1 423.564 2.191 40 0 HEABMO COC(=O)c1cc(S(=O)(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)ccc1C ZINC000224585683 568586326 /nfs/dbraw/zinc/58/63/26/568586326.db2.gz WENBBPSBXYWYCM-UHFFFAOYSA-N 1 1 418.515 2.092 40 0 HEABMO CS(=O)(=O)N1CCC[C@H](C(=O)NCCNc2cc[nH+]c3cc(Cl)ccc23)C1 ZINC000260740215 568737218 /nfs/dbraw/zinc/73/72/18/568737218.db2.gz MGKOITFSOHZZLN-ZDUSSCGKSA-N 1 1 410.927 2.088 40 0 HEABMO C[C@H](C(=O)NCCC[N@H+]1CCC[C@@H](C)C1)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000260836829 568741153 /nfs/dbraw/zinc/74/11/53/568741153.db2.gz AAAQDQHDVUSGHM-HUUCEWRRSA-N 1 1 417.522 2.358 40 0 HEABMO CN1CCN(c2ncc3c(n2)[C@]2(CC[N@@H+](Cc4ccc5c(c4)CCC5)C2)COC3)CC1 ZINC000248100906 568747338 /nfs/dbraw/zinc/74/73/38/568747338.db2.gz DVHSOGHZCYGPLB-VWLOTQADSA-N 1 1 419.573 2.391 40 0 HEABMO COc1ccc(C[N@@H+](C)C[C@@]2(O)CCCN(C(=O)Cc3c(C)n[nH]c3C)CC2)cc1 ZINC000257208056 568778613 /nfs/dbraw/zinc/77/86/13/568778613.db2.gz BKMVSPWZEUOBQL-HSZRJFAPSA-N 1 1 414.550 2.453 40 0 HEABMO CC(=O)N1CC[NH+]([C@@H]2CCC[C@@H](NC(=O)c3oc4c(cccc4F)c3C)[C@H]2O)CC1 ZINC000257240368 568787641 /nfs/dbraw/zinc/78/76/41/568787641.db2.gz HTCZJIVZQUSGAA-GUDVDZBRSA-N 1 1 417.481 2.056 40 0 HEABMO CC(=O)N1CC[NH+]([C@H]2CCN(C(=O)c3oc4ccc(F)cc4c3C)CC[C@@H]2O)CC1 ZINC000257248304 568789684 /nfs/dbraw/zinc/78/96/84/568789684.db2.gz JDAVEWHQASCYOU-OALUTQOASA-N 1 1 417.481 2.010 40 0 HEABMO CC(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N(C)C(=O)Cn2cc[nH+]c2C)CC1 ZINC000257341423 568816514 /nfs/dbraw/zinc/81/65/14/568816514.db2.gz ZKFVXEBMRSORAR-MQSCRBSSSA-N 1 1 412.534 2.028 40 0 HEABMO Cc1ccc(C[N@H+]2C[C@H]3Cn4c(nn(Cc5ccc(C)cc5)c(=O)c4=O)[C@@H]3C2)s1 ZINC000306125451 568888253 /nfs/dbraw/zinc/88/82/53/568888253.db2.gz CRFJFHMVYDEZMU-PKOBYXMFSA-N 1 1 408.527 2.361 40 0 HEABMO CC(C)n1cc(C[N@@H+]2C[C@@H]3Cc4nnc(C(=O)NCc5ccccc5)n4C[C@H]3C2)cn1 ZINC000306127277 568889991 /nfs/dbraw/zinc/88/99/91/568889991.db2.gz FTYWOYQVZZJNBH-VQTJNVASSA-N 1 1 419.533 2.290 40 0 HEABMO O=c1c(=O)n(C2CCCC2)nc2n1C[C@]1(CC[N@@H+](Cc3ccc(Cl)cc3)C1)OC2 ZINC000306127732 568890481 /nfs/dbraw/zinc/89/04/81/568890481.db2.gz GFTUCFBSYVSXLL-OAQYLSRUSA-N 1 1 416.909 2.348 40 0 HEABMO O=c1c(=O)n(C2CCCC2)nc2n1C[C@]1(CC[N@H+](Cc3ccc(Cl)cc3)C1)OC2 ZINC000306127732 568890483 /nfs/dbraw/zinc/89/04/83/568890483.db2.gz GFTUCFBSYVSXLL-OAQYLSRUSA-N 1 1 416.909 2.348 40 0 HEABMO COCCN1CC[C@]2(C[N@@H+](Cc3nccs3)C[C@H]2c2cn(C(C)C)cn2)C1=O ZINC000306128328 568891217 /nfs/dbraw/zinc/89/12/17/568891217.db2.gz GXJPQWJAFYEERE-OXJNMPFZSA-N 1 1 403.552 2.385 40 0 HEABMO O=C(NCC1CC1)[C@]12CN(c3ncccn3)C[C@@H]1C[N@@H+](Cc1cccnc1)CCC2 ZINC000306133034 568895117 /nfs/dbraw/zinc/89/51/17/568895117.db2.gz LZTFWMNOCHPQIH-NZQKXSOJSA-N 1 1 406.534 2.116 40 0 HEABMO COCCN1C[C@]2(CC[N@H+](Cc3ccc(F)cc3)C2)Oc2ccccc2S1(=O)=O ZINC000306136680 568898493 /nfs/dbraw/zinc/89/84/93/568898493.db2.gz QACHGTOVIYLYGF-OAQYLSRUSA-N 1 1 420.506 2.500 40 0 HEABMO COCCN1C[C@]2(CC[N@@H+](Cc3ccc(F)cc3)C2)Oc2ccccc2S1(=O)=O ZINC000306136680 568898496 /nfs/dbraw/zinc/89/84/96/568898496.db2.gz QACHGTOVIYLYGF-OAQYLSRUSA-N 1 1 420.506 2.500 40 0 HEABMO COCCN1C[C@@]2(CC[N@H+](Cc3cccc(F)c3)C2)Oc2ccccc2S1(=O)=O ZINC000306140387 568902421 /nfs/dbraw/zinc/90/24/21/568902421.db2.gz URUOGTBIXKUCGG-NRFANRHFSA-N 1 1 420.506 2.500 40 0 HEABMO COCCN1C[C@@]2(CC[N@@H+](Cc3cccc(F)c3)C2)Oc2ccccc2S1(=O)=O ZINC000306140387 568902422 /nfs/dbraw/zinc/90/24/22/568902422.db2.gz URUOGTBIXKUCGG-NRFANRHFSA-N 1 1 420.506 2.500 40 0 HEABMO COc1ncccc1C[N@H+]1CCC[C@H](c2nc3ccc(N4CCOCC4)cn3n2)C1 ZINC000306141806 568903233 /nfs/dbraw/zinc/90/32/33/568903233.db2.gz WGVDWZJVZYGVKJ-KRWDZBQOSA-N 1 1 408.506 2.349 40 0 HEABMO O=C1N(Cc2cccnc2)CCO[C@@]12C[N@@H+](Cc1ccco1)C[C@H]2c1cccnc1 ZINC000306142993 568904704 /nfs/dbraw/zinc/90/47/04/568904704.db2.gz XQBGGIKSYJMMEF-JTHBVZDNSA-N 1 1 404.470 2.467 40 0 HEABMO O=C1N(Cc2cccnc2)CCO[C@]12C[N@@H+](Cc1ccco1)C[C@@H]2c1cccnc1 ZINC000306142991 568904759 /nfs/dbraw/zinc/90/47/59/568904759.db2.gz XQBGGIKSYJMMEF-GGAORHGYSA-N 1 1 404.470 2.467 40 0 HEABMO Cc1ncsc1C[N@H+]1C[C@@H]2Cn3c(nnc3C(=O)NCc3ccccc3)C[C@@H]2C1 ZINC000306143528 568904829 /nfs/dbraw/zinc/90/48/29/568904829.db2.gz YEQICXSMTWMIGI-IAGOWNOFSA-N 1 1 408.531 2.277 40 0 HEABMO C[NH+]1CCN(C(=O)Cn2nc(COc3ccc4c(c3)CCCC4)oc2=S)CC1 ZINC000008091771 569339511 /nfs/dbraw/zinc/33/95/11/569339511.db2.gz OQTTUNLGFUHXLS-UHFFFAOYSA-N 1 1 402.520 2.437 40 0 HEABMO CCOc1ccc(CN2CCC(N3C(=O)NC4(CC[NH+](CC)CC4)C3=O)CC2)cc1 ZINC000019699540 569347040 /nfs/dbraw/zinc/34/70/40/569347040.db2.gz AIYXPXDNIWZQLX-UHFFFAOYSA-N 1 1 414.550 2.456 40 0 HEABMO Cc1c(C(=O)CC(=O)C(=O)NC23CC4CC(CC(C4)C2)C3)[n+](=O)c2ccccc2n1O ZINC000139263619 569359407 /nfs/dbraw/zinc/35/94/07/569359407.db2.gz RDDBLCVNRAGCOS-UHFFFAOYSA-O 1 1 424.477 2.328 40 0 HEABMO O[C@@H]1[C@@H]([NH+]2CCCCC2)[C@@H]2OC[C@@H](O2)[C@H]1NCc1ccc(OC(F)(F)F)cc1 ZINC000012529600 291213925 /nfs/dbraw/zinc/21/39/25/291213925.db2.gz OZAGHCICDXHSSN-HSFUPAIVSA-N 1 1 402.413 2.014 40 0 biogenic,in-vitro HEABMO Cc1[nH+]ccn1CCNS(=O)(=O)c1ccc2c(c1)[C@H](NC(=O)C1CCCC1)CC2 ZINC000072345861 527431849 /nfs/dbraw/zinc/43/18/49/527431849.db2.gz JGQXUSRSHJIWSP-HXUWFJFHSA-N 1 1 416.547 2.464 40 0 HEABMO COC(=O)[C@@]12C[N@H+](C)C[C@@](C(=O)OC)(C1=O)[C@@H](c1ccccc1)O[C@H]2c1ccccc1 ZINC000005766599 557673689 /nfs/dbraw/zinc/67/36/89/557673689.db2.gz WXHWUFKLCLYPBR-WLJAXQAKSA-N 1 1 423.465 2.333 40 0 HEABMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccc(C)cc1 ZINC000408710312 557738093 /nfs/dbraw/zinc/73/80/93/557738093.db2.gz WUPJRTKLQSYZCL-IBGZPJMESA-N 1 1 422.529 2.464 40 0 HEABMO Cc1[nH+]ccn1CC(=O)N[C@@H]1CCc2ccc(S(=O)(=O)NC3CCCC3)cc21 ZINC000019749531 558269046 /nfs/dbraw/zinc/26/90/46/558269046.db2.gz RQIPEKBOQSDXJA-LJQANCHMSA-N 1 1 402.520 2.216 40 0 HEABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1 ZINC000020244487 558350993 /nfs/dbraw/zinc/35/09/93/558350993.db2.gz XJMLUYDLSFERDC-SFHVURJKSA-N 1 1 410.584 2.314 40 0 HEABMO COc1ccccc1N1C(=O)C[C@H]([NH+]2CCC(C(N)=O)(C3CCCCC3)CC2)C1=O ZINC000036618846 558739751 /nfs/dbraw/zinc/73/97/51/558739751.db2.gz HJGPOFPDCLPVOW-SFHVURJKSA-N 1 1 413.518 2.475 40 0 HEABMO COc1cc(C[N@H+]2CC[C@](O)(c3ccccc3)C2)ccc1OCCN1CCOCC1 ZINC000036743625 558802444 /nfs/dbraw/zinc/80/24/44/558802444.db2.gz MFXJCMJTJJGBBX-XMMPIXPASA-N 1 1 412.530 2.500 40 0 HEABMO O=C(c1cccs1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@H+](C1CCOCC1)CC2 ZINC000019342665 558872146 /nfs/dbraw/zinc/87/21/46/558872146.db2.gz YCUWNIIMJDJVTE-KRWDZBQOSA-N 1 1 414.531 2.346 40 0 HEABMO CC(C)[N@H+]1CCc2nc([C@@H]3CCCN3C(=O)Cc3ccc4c(c3)OCO4)[nH]c(=O)c2C1 ZINC000019448265 558887196 /nfs/dbraw/zinc/88/71/96/558887196.db2.gz DCSGIIBQZBOWIM-SFHVURJKSA-N 1 1 424.501 2.171 40 0 HEABMO CC[N@H+]1CCC[C@H]1CN(Cc1ccccn1)Cc1ccnc(N2CCN(C)CC2)n1 ZINC000019527170 558908247 /nfs/dbraw/zinc/90/82/47/558908247.db2.gz LALZLKQHKBADMQ-QFIPXVFZSA-N 1 1 409.582 2.110 40 0 HEABMO Cc1c(C[N@@H+]2CCO[C@](Cc3cccc(-c4cccnc4)c3)(C(N)=O)C2)cnn1C ZINC000019553738 558916853 /nfs/dbraw/zinc/91/68/53/558916853.db2.gz MEPKHBJJUHDRRF-QHCPKHFHSA-N 1 1 405.502 2.090 40 0 HEABMO Cc1c(C[N@H+]2CCO[C@](Cc3cccc(-c4cccnc4)c3)(C(N)=O)C2)cnn1C ZINC000019553738 558916854 /nfs/dbraw/zinc/91/68/54/558916854.db2.gz MEPKHBJJUHDRRF-QHCPKHFHSA-N 1 1 405.502 2.090 40 0 HEABMO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(OC)cc2)C[C@]12COc1ccccc1C(=O)N2 ZINC000072334313 558935321 /nfs/dbraw/zinc/93/53/21/558935321.db2.gz ALBGNIKPHHPCNX-CVDCTZTESA-N 1 1 410.470 2.251 40 0 HEABMO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc(OC)cc2)C[C@]12COc1ccccc1C(=O)N2 ZINC000072334313 558935324 /nfs/dbraw/zinc/93/53/24/558935324.db2.gz ALBGNIKPHHPCNX-CVDCTZTESA-N 1 1 410.470 2.251 40 0 HEABMO C[NH+]1CCN(CC(=O)N2C[C@H](c3csnn3)[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000019589981 558940578 /nfs/dbraw/zinc/94/05/78/558940578.db2.gz LKBFIEKZUWLBAC-SJORKVTESA-N 1 1 405.955 2.149 40 0 HEABMO COCC(=O)N1CCC[C@H](c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2cccs2)CC3)C1 ZINC000019592801 558943689 /nfs/dbraw/zinc/94/36/89/558943689.db2.gz BEHGAKWERTVKKC-AWEZNQCLSA-N 1 1 402.520 2.154 40 0 HEABMO CN1CC[NH+](CCCNC(=O)COc2ccc(Cl)cc2Br)CC1 ZINC000061524648 558945297 /nfs/dbraw/zinc/94/52/97/558945297.db2.gz JMCSODYZZJLLJV-UHFFFAOYSA-N 1 1 404.736 2.235 40 0 HEABMO O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H]1CC[N@H+]1C1CCCCC1 ZINC000019660073 558951298 /nfs/dbraw/zinc/95/12/98/558951298.db2.gz TWIRRYVYPVESFF-HXUWFJFHSA-N 1 1 405.564 2.494 40 0 HEABMO Cc1cc(Nc2cnccn2)cc([C@H]2CCCN2C(=O)COCCN2CCCC2=O)[nH+]1 ZINC000072372643 558960323 /nfs/dbraw/zinc/96/03/23/558960323.db2.gz PSZBOFLHLFAASZ-LJQANCHMSA-N 1 1 424.505 2.226 40 0 HEABMO CNc1nc([C@@H]2CCCN2S(=O)(=O)c2ccc(OC)cc2)nc2c1CC[N@H+](C)C2 ZINC000019707870 558969882 /nfs/dbraw/zinc/96/98/82/558969882.db2.gz JYAZJNCAWLBQEI-SFHVURJKSA-N 1 1 417.535 2.041 40 0 HEABMO CNc1nc([C@@H]2CCCN2S(=O)(=O)c2ccc(OC)cc2)nc2c1CC[N@@H+](C)C2 ZINC000019707870 558969885 /nfs/dbraw/zinc/96/98/85/558969885.db2.gz JYAZJNCAWLBQEI-SFHVURJKSA-N 1 1 417.535 2.041 40 0 HEABMO COc1ccc(C[N@@H+]2C[C@H]3[C@H](CC[C@]3(O)c3cnc(OC)nc3OC)C2)c(F)c1 ZINC000072395409 558974346 /nfs/dbraw/zinc/97/43/46/558974346.db2.gz LBCHNHFLYZMSPJ-JRQSSSKMSA-N 1 1 403.454 2.371 40 0 HEABMO Cc1ccccc1S(=O)(=O)N1CCC2(CO[C@@H](C[N@H+]3CCC[C@H]3CO)C2)CC1 ZINC000585103485 559026683 /nfs/dbraw/zinc/02/66/83/559026683.db2.gz GRZIRCVQUIEFCJ-RBUKOAKNSA-N 1 1 408.564 2.012 40 0 HEABMO O=C(c1cc(C2CC2)on1)N1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000585106242 559028567 /nfs/dbraw/zinc/02/85/67/559028567.db2.gz HUPZTTWSPSBWMG-MOPGFXCFSA-N 1 1 420.513 2.405 40 0 HEABMO CCn1cc(C[N@H+]2C[C@@H](C(=O)NCc3cc(F)cc(F)c3)C[C@H]3OCC[C@H]32)cn1 ZINC000585108712 559030182 /nfs/dbraw/zinc/03/01/82/559030182.db2.gz GYQXZUXPJNQOQD-PWIZWCRZSA-N 1 1 404.461 2.477 40 0 HEABMO O=C(c1cccs1)N1CCC2(C[N@@H+](Cc3cccnc3)C[C@@]23CCNC3=O)CC1 ZINC000096036346 559089988 /nfs/dbraw/zinc/08/99/88/559089988.db2.gz LODBFLJMFLJBJX-JOCHJYFZSA-N 1 1 410.543 2.388 40 0 HEABMO CC[N@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CCN(C(=O)c1ccnnc1)CC3 ZINC000096036327 559090037 /nfs/dbraw/zinc/09/00/37/559090037.db2.gz PSKCGZUMEHHHJN-WMZHIEFXSA-N 1 1 411.550 2.053 40 0 HEABMO CCN1CC[C@]2(C[N@H+](Cc3cccnc3)CC23CCN(Cc2cnn(C)c2)CC3)C1=O ZINC000096036460 559090276 /nfs/dbraw/zinc/09/02/76/559090276.db2.gz CSGLTHMSTJTJHX-DEOSSOPVSA-N 1 1 422.577 2.152 40 0 HEABMO CCN1CC[C@]2(C[N@@H+](Cc3cccnc3)CC23CCN(Cc2cnn(C)c2)CC3)C1=O ZINC000096036460 559090278 /nfs/dbraw/zinc/09/02/78/559090278.db2.gz CSGLTHMSTJTJHX-DEOSSOPVSA-N 1 1 422.577 2.152 40 0 HEABMO CCOC(=O)[C@@]12C[N@@H+](Cc3cccc(C)n3)C[C@@H]1CN(C(=O)c1ccnnc1)CCC2 ZINC000096056092 559093887 /nfs/dbraw/zinc/09/38/87/559093887.db2.gz KINXLSJZTWTZFA-XXBNENTESA-N 1 1 423.517 2.098 40 0 HEABMO CCN1CC[C@]2(C[N@@H+](Cc3cccnc3)CC23CCN(C(=O)NC(C)C)CC3)C1=O ZINC000096144405 559096677 /nfs/dbraw/zinc/09/66/77/559096677.db2.gz XQKWPFTYOIXGFX-QHCPKHFHSA-N 1 1 413.566 2.336 40 0 HEABMO C[N@H+]1CCCN(C(=O)c2nc(-c3cn(C[C@@H]4CCCO4)cn3)n3ccccc23)CC1 ZINC000096155147 559099329 /nfs/dbraw/zinc/09/93/29/559099329.db2.gz BONVLNYLUJZEAF-KRWDZBQOSA-N 1 1 408.506 2.155 40 0 HEABMO COCC(=O)N1CC[N@H+](C2CCCCC2)C[C@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585284136 559120392 /nfs/dbraw/zinc/12/03/92/559120392.db2.gz VDVDHLAKKFALJW-OAQYLSRUSA-N 1 1 412.477 2.198 40 0 HEABMO O=C(c1ccsc1)N1CCC2(C[N@@H+](Cc3cccnc3)C[C@]23CCNC3=O)CC1 ZINC000097952842 559124866 /nfs/dbraw/zinc/12/48/66/559124866.db2.gz YUNYXTGZOSTXEW-QFIPXVFZSA-N 1 1 410.543 2.388 40 0 HEABMO COCC[N@H+]1CC2(CCN(C(=O)Nc3cccc(C)c3)CC2)[C@@]2(CCNC2=O)C1 ZINC000107181693 559164713 /nfs/dbraw/zinc/16/47/13/559164713.db2.gz DWKSNQHCZCDCLM-QFIPXVFZSA-N 1 1 400.523 2.077 40 0 HEABMO CCC(C)(C)n1nnnc1[C@@H](c1cc(OC)c(OC)c(OC)c1)N1CC[NH+](C)CC1 ZINC000019499526 560873431 /nfs/dbraw/zinc/87/34/31/560873431.db2.gz BLTLGAOIOLKQAW-GOSISDBHSA-N 1 1 418.542 2.181 40 0 HEABMO CCc1ccc2[nH]c(=O)c(CN(CCC[NH+]3CCOCC3)C(=S)NC)cc2c1 ZINC000019822982 560875930 /nfs/dbraw/zinc/87/59/30/560875930.db2.gz FXMUKSJPGWQREB-UHFFFAOYSA-N 1 1 402.564 2.119 40 0 HEABMO C[C@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)N(c1cccc(F)c1)S(C)(=O)=O ZINC000220471735 568505965 /nfs/dbraw/zinc/50/59/65/568505965.db2.gz QRBXJOATHKWLDF-QGZVFWFLSA-N 1 1 419.522 2.325 40 0 HEABMO CC[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1 ZINC000225843003 568679832 /nfs/dbraw/zinc/67/98/32/568679832.db2.gz DFWQQHQSPJAEJC-ZDUSSCGKSA-N 1 1 417.601 2.456 40 0 HEABMO CC[C@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1 ZINC000225843003 568679833 /nfs/dbraw/zinc/67/98/33/568679833.db2.gz DFWQQHQSPJAEJC-ZDUSSCGKSA-N 1 1 417.601 2.456 40 0 HEABMO C[C@H]1CCC[N@@H+](CCCNC(=O)CN(Cc2ccccc2Cl)S(C)(=O)=O)C1 ZINC000260767445 568738157 /nfs/dbraw/zinc/73/81/57/568738157.db2.gz OTECAHSBUCQRSY-INIZCTEOSA-N 1 1 415.987 2.340 40 0 HEABMO C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCC[N@H+]1CCC[C@H](C)C1 ZINC000260793514 568739414 /nfs/dbraw/zinc/73/94/14/568739414.db2.gz KMWJQHMSMKTWAJ-IRXDYDNUSA-N 1 1 411.568 2.088 40 0 HEABMO Cc1nc(-c2nccn2C)cc([C@@H]2CCCC[N@H+]2C2CCN(S(C)(=O)=O)CC2)n1 ZINC000257202012 568776538 /nfs/dbraw/zinc/77/65/38/568776538.db2.gz AKCUDBYSPHVQTP-IBGZPJMESA-N 1 1 418.567 2.137 40 0 HEABMO Cc1nc(-c2nccn2C)cc([C@H]2CCCC[N@H+]2C2CCN(S(C)(=O)=O)CC2)n1 ZINC000257202013 568776764 /nfs/dbraw/zinc/77/67/64/568776764.db2.gz AKCUDBYSPHVQTP-LJQANCHMSA-N 1 1 418.567 2.137 40 0 HEABMO COc1ccc(C[N@@H+](C)C[C@]2(O)CCCN(C(=O)c3n[nH]c4c3CCC4)CC2)cc1 ZINC000257322842 568811240 /nfs/dbraw/zinc/81/12/40/568811240.db2.gz WHPUODMNTKOGNH-QHCPKHFHSA-N 1 1 412.534 2.396 40 0 HEABMO CCOc1cc(C[N@@H+]2CCOC[C@@]3(CC[C@H](CN4CCCC4=O)O3)C2)ccc1O ZINC000306127479 568890347 /nfs/dbraw/zinc/89/03/47/568890347.db2.gz FZHPLYZTBLWHFM-XMSQKQJNSA-N 1 1 404.507 2.163 40 0 HEABMO CCOc1cc(C[N@H+]2CCOC[C@@]3(CC[C@H](CN4CCCC4=O)O3)C2)ccc1O ZINC000306127479 568890349 /nfs/dbraw/zinc/89/03/49/568890349.db2.gz FZHPLYZTBLWHFM-XMSQKQJNSA-N 1 1 404.507 2.163 40 0 HEABMO CCn1cc(C[N@H+]2C[C@H](c3cn(C(C)C)cn3)[C@@]3(CCN(CCOC)C3=O)C2)cn1 ZINC000306131460 568893657 /nfs/dbraw/zinc/89/36/57/568893657.db2.gz KFHHDUKEZGUQSN-DENIHFKCSA-N 1 1 414.554 2.145 40 0 HEABMO C[C@H]1CN(c2ncc3c(n2)[C@]2(CC[N@@H+](Cc4ccc(O)cc4)C2)COC3)C[C@H](C)O1 ZINC000306142211 568903736 /nfs/dbraw/zinc/90/37/36/568903736.db2.gz WTMGLZOOEZPVDL-QQMNAOGKSA-N 1 1 410.518 2.470 40 0 HEABMO Cn1nccc1[C@H]1C[N@@H+](CCc2ccccc2)C[C@@]12OCCN(CC1CCC1)C2=O ZINC000306144742 568906218 /nfs/dbraw/zinc/90/62/18/568906218.db2.gz ZNNKFNBTELACGS-ZJSXRUAMSA-N 1 1 408.546 2.460 40 0 HEABMO C[C@H]1CCC[N@@H+](CC(C)(C)NC(=O)c2cc(C3CC3)n([C@H]3CCS(=O)(=O)C3)n2)C1 ZINC000253602860 569318437 /nfs/dbraw/zinc/31/84/37/569318437.db2.gz SICLQQZOPMUEEB-RDJZCZTQSA-N 1 1 422.595 2.360 40 0 HEABMO CC[NH+]1CCN(C(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)CC1 ZINC000006953298 569335630 /nfs/dbraw/zinc/33/56/30/569335630.db2.gz MBZJVLIDRFPTCO-UHFFFAOYSA-N 1 1 401.532 2.354 40 0 HEABMO O=C([C@H]1CCCO1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@H+](C2CCCCC2)C3)C1 ZINC000019014897 569345185 /nfs/dbraw/zinc/34/51/85/569345185.db2.gz ZEAJTFDOYZDYTO-DNVCBOLYSA-N 1 1 400.523 2.368 40 0 HEABMO CNC(=O)[C@]1(Cc2cc(C(C)C)no2)CC[N@@H+](Cc2ccnc(N3CCCC3)n2)C1 ZINC000019739198 569348634 /nfs/dbraw/zinc/34/86/34/569348634.db2.gz PZYMHAABEMWQAQ-QFIPXVFZSA-N 1 1 412.538 2.369 40 0 HEABMO CN1CCC([N@@H+]2C[C@H]3C[C@H](Cn4c(=O)ccc(NC(=O)c5ccccn5)c43)C2)CC1 ZINC000020503709 575370119 /nfs/dbraw/zinc/37/01/19/575370119.db2.gz FVJHGFKBTGWITM-DLBZAZTESA-N 1 1 407.518 2.009 40 0 biogenic,in-vitro HEABMO C[NH+]1CCC(N2C[C@H]3C[C@@H](C2)Cn2c(=O)ccc(NC(=O)c4ccccn4)c23)CC1 ZINC000020503709 575370123 /nfs/dbraw/zinc/37/01/23/575370123.db2.gz FVJHGFKBTGWITM-DLBZAZTESA-N 1 1 407.518 2.009 40 0 biogenic,in-vitro HEABMO CC(C)NC(=O)NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2CN1CCN(c2ccc(F)cc2)CC1 ZINC000008635649 291203429 /nfs/dbraw/zinc/20/34/29/291203429.db2.gz GEZUKUQVCYYWRV-CNNODRBYSA-N 1 1 417.573 2.366 40 0 biogenic,in-vitro HEABMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000408709890 557738590 /nfs/dbraw/zinc/73/85/90/557738590.db2.gz ZAEXBMFLKJOHTE-SFHVURJKSA-N 1 1 408.502 2.156 40 0 HEABMO Cc1[nH+]ccn1CC(=O)N[C@H]1CCc2ccc(S(=O)(=O)NC3CCCC3)cc21 ZINC000019749532 558269110 /nfs/dbraw/zinc/26/91/10/558269110.db2.gz RQIPEKBOQSDXJA-IBGZPJMESA-N 1 1 402.520 2.216 40 0 HEABMO Cc1[nH+]ccn1CCC(=O)N1CCC[C@@H](N(C)S(=O)(=O)c2cccc(F)c2)CC1 ZINC000019749697 558269482 /nfs/dbraw/zinc/26/94/82/558269482.db2.gz CYMHLOHBQZJCJF-GOSISDBHSA-N 1 1 422.526 2.423 40 0 HEABMO C[C@H]1CCc2c(sc3ncn(C4CC[NH+](CC(=O)NC5CC5)CC4)c(=O)c32)C1 ZINC000012145478 558336636 /nfs/dbraw/zinc/33/66/36/558336636.db2.gz OJQQBWCHRADTSI-ZDUSSCGKSA-N 1 1 400.548 2.498 40 0 HEABMO CCn1c2ccc(S(=O)(=O)NC[C@H](c3ccc(F)cc3)[NH+](C)C)cc2oc1=O ZINC000012239254 558359830 /nfs/dbraw/zinc/35/98/30/558359830.db2.gz ZYCIFYKNORQXQJ-QGZVFWFLSA-N 1 1 407.467 2.335 40 0 HEABMO COc1ccc2c(c1)c(CN1CCC([NH+]3C[C@@H](C)O[C@H](C)C3)CC1)cn2CC(N)=O ZINC000036741489 558802226 /nfs/dbraw/zinc/80/22/26/558802226.db2.gz FBQLRYYVPBUBAT-IAGOWNOFSA-N 1 1 414.550 2.209 40 0 HEABMO COc1cc(CCC(=O)N2CCC[C@@H](c3nc4c(c(=O)[nH]3)C[N@@H+](C)CC4)C2)ccc1C ZINC000019214639 558849723 /nfs/dbraw/zinc/84/97/23/558849723.db2.gz NWQCNCNLIHEOKN-GOSISDBHSA-N 1 1 424.545 2.414 40 0 HEABMO O=C(C1CCCC1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2cccnc2)C3)C1 ZINC000019339464 558871205 /nfs/dbraw/zinc/87/12/05/558871205.db2.gz RXJOBINSLAKKEW-GOSISDBHSA-N 1 1 407.518 2.229 40 0 HEABMO O=C(C1CCCC1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2cccnc2)C3)C1 ZINC000019339464 558871208 /nfs/dbraw/zinc/87/12/08/558871208.db2.gz RXJOBINSLAKKEW-GOSISDBHSA-N 1 1 407.518 2.229 40 0 HEABMO CC(C)NC(=O)[C@H]1C[C@@H](C2CCN(S(=O)(=O)c3cccc(F)c3)CC2)[N@@H+](C)C1 ZINC000019449776 558888492 /nfs/dbraw/zinc/88/84/92/558888492.db2.gz LLHCUDZYNQBIEJ-LPHOPBHVSA-N 1 1 411.543 2.071 40 0 HEABMO C[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1cc(=O)[nH]c(N2CC[NH+](C)CC2)n1 ZINC000019458378 558892409 /nfs/dbraw/zinc/89/24/09/558892409.db2.gz JGEANICWMJXCAJ-NSHDSACASA-N 1 1 410.305 2.320 40 0 HEABMO CCc1[nH+]ccn1CC1(O)CCN(C(=O)[C@H](CC)Oc2ccc3c(c2)OCO3)CC1 ZINC000019523604 558904621 /nfs/dbraw/zinc/90/46/21/558904621.db2.gz YVZWDPFQMIRLIR-KRWDZBQOSA-N 1 1 415.490 2.385 40 0 HEABMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccccn1)Cc1ccnc(N2CCN(C)CC2)n1 ZINC000019527169 558908321 /nfs/dbraw/zinc/90/83/21/558908321.db2.gz LALZLKQHKBADMQ-JOCHJYFZSA-N 1 1 409.582 2.110 40 0 HEABMO COc1cc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2Cc2ccccc2)ccc1OCC(N)=O ZINC000019550195 558915013 /nfs/dbraw/zinc/91/50/13/558915013.db2.gz SSBCTUJDIVAGGW-SFTDATJTSA-N 1 1 409.530 2.451 40 0 HEABMO Cc1c(C[N@@H+]2CCO[C@@](Cc3cccc(-c4cccnc4)c3)(C(N)=O)C2)cnn1C ZINC000019553735 558916793 /nfs/dbraw/zinc/91/67/93/558916793.db2.gz MEPKHBJJUHDRRF-HSZRJFAPSA-N 1 1 405.502 2.090 40 0 HEABMO Cc1c(C[N@H+]2CCO[C@@](Cc3cccc(-c4cccnc4)c3)(C(N)=O)C2)cnn1C ZINC000019553735 558916795 /nfs/dbraw/zinc/91/67/95/558916795.db2.gz MEPKHBJJUHDRRF-HSZRJFAPSA-N 1 1 405.502 2.090 40 0 HEABMO Cc1cc(Nc2cnccn2)cc([C@@H]2CCCN2C(=O)COCCN2CCCC2=O)[nH+]1 ZINC000072372642 558960406 /nfs/dbraw/zinc/96/04/06/558960406.db2.gz PSZBOFLHLFAASZ-IBGZPJMESA-N 1 1 424.505 2.226 40 0 HEABMO NC(=O)c1sc2ccccc2c1[C@@H]1CN(C(=O)CCC[NH+]2CCOCC2)CCO1 ZINC000019697541 558965056 /nfs/dbraw/zinc/96/50/56/558965056.db2.gz AVIKPAIYHDHBKY-INIZCTEOSA-N 1 1 417.531 2.013 40 0 HEABMO CNc1nc([C@H]2CCCN2S(=O)(=O)c2ccc(OC)cc2)nc2c1CC[N@H+](C)C2 ZINC000019707872 558969942 /nfs/dbraw/zinc/96/99/42/558969942.db2.gz JYAZJNCAWLBQEI-GOSISDBHSA-N 1 1 417.535 2.041 40 0 HEABMO CNc1nc([C@H]2CCCN2S(=O)(=O)c2ccc(OC)cc2)nc2c1CC[N@@H+](C)C2 ZINC000019707872 558969943 /nfs/dbraw/zinc/96/99/43/558969943.db2.gz JYAZJNCAWLBQEI-GOSISDBHSA-N 1 1 417.535 2.041 40 0 HEABMO CCc1[nH+]ccn1[C@@H](C)C(=O)N1CCC2(CC1)NC(=O)N(Cc1ccccc1)C2=O ZINC000019718531 558981738 /nfs/dbraw/zinc/98/17/38/558981738.db2.gz CWVCTTYWLOFVRG-INIZCTEOSA-N 1 1 409.490 2.120 40 0 HEABMO Cc1nc(C)c(C(=O)N2CCC3(CO[C@@H](C[N@@H+]4CC[C@@H](C)[C@H](O)C4)C3)CC2)s1 ZINC000585103693 559025737 /nfs/dbraw/zinc/02/57/37/559025737.db2.gz IDPGHYBOEUDZNS-ZTFGCOKTSA-N 1 1 407.580 2.474 40 0 HEABMO Cc1ccc(O)c(C(=O)N2CCC3(CO[C@@H](C[N@@H+]4CC[C@@H](C)[C@H](O)C4)C3)CC2)c1 ZINC000585103171 559026574 /nfs/dbraw/zinc/02/65/74/559026574.db2.gz FDZLKYFKCJURGZ-DBXWQHBBSA-N 1 1 402.535 2.415 40 0 HEABMO CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000585106206 559028490 /nfs/dbraw/zinc/02/84/90/559028490.db2.gz DOSUUSAKNNGWNS-SXLOBPIMSA-N 1 1 419.591 2.385 40 0 HEABMO COc1cc(OC)cc(C(=O)N2CCC3(CC2)NC(=O)[C@@H]2C[N@@H+](CC(C)C)C[C@@H]23)c1 ZINC000585106209 559028552 /nfs/dbraw/zinc/02/85/52/559028552.db2.gz WVNOJANGGVZKJF-UXHICEINSA-N 1 1 415.534 2.012 40 0 HEABMO CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCN1CC(=O)Nc1cccc2c1CCCC2 ZINC000585183502 559070274 /nfs/dbraw/zinc/07/02/74/559070274.db2.gz QLBANPBJDKANHY-QHCPKHFHSA-N 1 1 420.557 2.436 40 0 HEABMO CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCN1CC(=O)Nc1cccc2c1CCCC2 ZINC000585183502 559070275 /nfs/dbraw/zinc/07/02/75/559070275.db2.gz QLBANPBJDKANHY-QHCPKHFHSA-N 1 1 420.557 2.436 40 0 HEABMO O=C(NCC1CC1)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@@H+](Cc1ccncc1)CCC2 ZINC000096056151 559093876 /nfs/dbraw/zinc/09/38/76/559093876.db2.gz UKBQYLVGYNLROK-REWPJTCUSA-N 1 1 406.534 2.116 40 0 HEABMO CC(C)CC[N@H+]1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(CC(=O)N(C)C)[C@H]2CC1 ZINC000096145842 559097529 /nfs/dbraw/zinc/09/75/29/559097529.db2.gz ZQNALAJSFGMUEA-ROUUACIJSA-N 1 1 423.579 2.037 40 0 HEABMO O=S(=O)(c1cccs1)N1CCC2(CC1)COCC[N@H+](Cc1cccnc1)C2 ZINC000096239903 559103452 /nfs/dbraw/zinc/10/34/52/559103452.db2.gz UNQQBIJGHKIDMA-UHFFFAOYSA-N 1 1 407.561 2.446 40 0 HEABMO O=S(=O)(c1cccs1)N1CCC2(CC1)COCC[N@@H+](Cc1cccnc1)C2 ZINC000096239903 559103454 /nfs/dbraw/zinc/10/34/54/559103454.db2.gz UNQQBIJGHKIDMA-UHFFFAOYSA-N 1 1 407.561 2.446 40 0 HEABMO CCN1CC[C@]2(C[N@@H+](CCOC)CC23CCN(C(=O)c2ccccc2F)CC3)C1=O ZINC000096262800 559106747 /nfs/dbraw/zinc/10/67/47/559106747.db2.gz AEDDBBIWEJGIFC-QHCPKHFHSA-N 1 1 417.525 2.249 40 0 HEABMO CCOC(=O)[C@@]12C[C@@H]3[C@@H](O[C@@H]1CC[N@H+](CC(N)=O)C2)c1ccccc1OC3(C)C ZINC000585261673 559108912 /nfs/dbraw/zinc/10/89/12/559108912.db2.gz UCMZKZMICYPBFT-HQRIKFMLSA-N 1 1 402.491 2.044 40 0 HEABMO CCOC(=O)[C@@]12C[C@@H]3[C@@H](O[C@@H]1CC[N@@H+](CC(N)=O)C2)c1ccccc1OC3(C)C ZINC000585261673 559108913 /nfs/dbraw/zinc/10/89/13/559108913.db2.gz UCMZKZMICYPBFT-HQRIKFMLSA-N 1 1 402.491 2.044 40 0 HEABMO CCc1nn2c(nnc(C(=O)N3CC[NH+](CC)CC3)c2C)c1-c1ccc(OC)cc1 ZINC000096301120 559108936 /nfs/dbraw/zinc/10/89/36/559108936.db2.gz SNGVVQYELSLEDH-UHFFFAOYSA-N 1 1 408.506 2.448 40 0 HEABMO OCCOc1ccc(C[N@H+]2C[C@H](O)[C@@H](Oc3ccc(Br)cc3)C2)cc1 ZINC000585267912 559113012 /nfs/dbraw/zinc/11/30/12/559113012.db2.gz WAOGMWXRDLZLLO-OALUTQOASA-N 1 1 408.292 2.444 40 0 HEABMO Cn1ccnc1COc1ccc(C[N@@H+](C)C[C@]2(O)CCCN(c3cnccn3)C2)cc1 ZINC000585269900 559116187 /nfs/dbraw/zinc/11/61/87/559116187.db2.gz PKISHXGRBJBXDW-HSZRJFAPSA-N 1 1 422.533 2.252 40 0 HEABMO CC(=O)NCCCOc1ccc(C[N@H+]2C[C@H](O)[C@@H](Oc3cccc(F)c3)C2)cc1 ZINC000585270759 559116387 /nfs/dbraw/zinc/11/63/87/559116387.db2.gz AKTAJMCVQJFJLN-VXKWHMMOSA-N 1 1 402.466 2.355 40 0 HEABMO CCC(CC)[N@H+]1CCN(C(=O)COC)C[C@@](O)(COc2cccc(F)c2F)C1 ZINC000585288043 559123174 /nfs/dbraw/zinc/12/31/74/559123174.db2.gz UWLMRBFAUVVTOY-HXUWFJFHSA-N 1 1 400.466 2.054 40 0 HEABMO CC[NH+]1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)NC3CCCCC3)c2)CC1 ZINC000008475821 560556361 /nfs/dbraw/zinc/55/63/61/560556361.db2.gz IXEQUGXHQGTESN-UHFFFAOYSA-N 1 1 409.552 2.084 40 0 HEABMO COc1cccc(C(=O)NC2CC[NH+](CC(=O)NCc3ccccc3OC)CC2)c1 ZINC000004910033 560618302 /nfs/dbraw/zinc/61/83/02/560618302.db2.gz SLXMRJQZXMLCCQ-UHFFFAOYSA-N 1 1 411.502 2.214 40 0 HEABMO CC[NH+]1CCN([C@@H](c2nnnn2Cc2ccccc2)c2cccc(OC)c2OC)CC1 ZINC000019528045 560874730 /nfs/dbraw/zinc/87/47/30/560874730.db2.gz YPPALKIYVKFANO-OAQYLSRUSA-N 1 1 422.533 2.466 40 0 HEABMO COCCn1nnnc1[C@@H](c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019593959 560875109 /nfs/dbraw/zinc/87/51/09/560875109.db2.gz WXJNIZKPRZSGTG-OAQYLSRUSA-N 1 1 410.497 2.366 40 0 HEABMO CNC(=S)N(CCC[NH+]1CCOCC1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000019823890 560875896 /nfs/dbraw/zinc/87/58/96/560875896.db2.gz NZWVFKBFOPKBJL-UHFFFAOYSA-N 1 1 402.564 2.174 40 0 HEABMO CS(=O)(=O)N1CCC[C@@H](C(=O)NCCNc2cc[nH+]c3cc(Cl)ccc23)C1 ZINC000222559707 568518400 /nfs/dbraw/zinc/51/84/00/568518400.db2.gz MGKOITFSOHZZLN-CYBMUJFWSA-N 1 1 410.927 2.088 40 0 HEABMO COc1cccc(N2C(=O)[C@H]3[C@H]4CCC[N@H+]4[C@]4(c5ccccc5NC4=O)[C@@H]3C2=O)c1 ZINC000033821727 568521642 /nfs/dbraw/zinc/52/16/42/568521642.db2.gz GMNXXRIOIFEQEK-GKAYAJSDSA-N 1 1 403.438 2.126 40 0 HEABMO Cc1[nH+]ccn1-c1ccccc1CNS(=O)(=O)c1nnc(NC(=O)C(C)C)s1 ZINC000223125891 568538610 /nfs/dbraw/zinc/53/86/10/568538610.db2.gz LBRSRJDIBONPSN-UHFFFAOYSA-N 1 1 420.520 2.105 40 0 HEABMO CC[NH+]1CCN(C(=O)c2cccc(N(C)S(=O)(=O)c3ccc(OC)cc3)c2)CC1 ZINC000224283245 568576489 /nfs/dbraw/zinc/57/64/89/568576489.db2.gz CHCGCGYMOFYLQJ-UHFFFAOYSA-N 1 1 417.531 2.298 40 0 HEABMO CCc1[nH+]ccn1CC(=O)N1CCC[C@@](COc2ccc(F)cc2)(CC(N)=O)C1 ZINC000257209874 568778950 /nfs/dbraw/zinc/77/89/50/568778950.db2.gz BSFNKCAKXMLMFV-OAQYLSRUSA-N 1 1 402.470 2.148 40 0 HEABMO COCCNC(=O)c1sc2nccnc2c1[C@@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000257234929 568786179 /nfs/dbraw/zinc/78/61/79/568786179.db2.gz GVQNZYNGLUTMKZ-CQSZACIVSA-N 1 1 404.536 2.426 40 0 HEABMO CCc1[nH]c(CN2CCO[C@](COc3cccc(Cl)c3)(CC(N)=O)C2)c(C)[nH+]1 ZINC000257246128 568789354 /nfs/dbraw/zinc/78/93/54/568789354.db2.gz ISPGAKLOAWBTJZ-HXUWFJFHSA-N 1 1 406.914 2.459 40 0 HEABMO COc1ccc(CCNC(=O)[C@H]2C[N@@H+](C)C[C@H]2c2cccc(CNC(C)=O)c2)cc1 ZINC000257277343 568797811 /nfs/dbraw/zinc/79/78/11/568797811.db2.gz NXPOHZWMTLTCOG-GOTSBHOMSA-N 1 1 409.530 2.335 40 0 HEABMO NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCN1CC(=O)Nc1cccc2c1CCCC2 ZINC000257344408 568817363 /nfs/dbraw/zinc/81/73/63/568817363.db2.gz ZXBVGGADNBFQHN-JOCHJYFZSA-N 1 1 406.530 2.176 40 0 HEABMO NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCN1CC(=O)Nc1cccc2c1CCCC2 ZINC000257344408 568817365 /nfs/dbraw/zinc/81/73/65/568817365.db2.gz ZXBVGGADNBFQHN-JOCHJYFZSA-N 1 1 406.530 2.176 40 0 HEABMO Cc1ccc(C(=O)N2CCC3(CC2)C[N@@H+](C)C[C@H](C(=O)NCc2ccco2)O3)s1 ZINC000306123059 568886261 /nfs/dbraw/zinc/88/62/61/568886261.db2.gz ADPBEXONMMKHNL-QGZVFWFLSA-N 1 1 417.531 2.271 40 0 HEABMO Cc1ccc(C[N@H+]2C[C@@H]3Cn4c(nn(Cc5ccc(C)cc5)c(=O)c4=O)[C@H]3C2)s1 ZINC000306125450 568888158 /nfs/dbraw/zinc/88/81/58/568888158.db2.gz CRFJFHMVYDEZMU-MJGOQNOKSA-N 1 1 408.527 2.361 40 0 HEABMO COc1ccccc1C[N@H+]1CCOC[C@]2(CC[C@H](CNC(=O)c3cccnc3)O2)C1 ZINC000306125771 568888607 /nfs/dbraw/zinc/88/86/07/568888607.db2.gz DBVZISPYSRIZPL-OFNKIYASSA-N 1 1 411.502 2.270 40 0 HEABMO Cc1cccc(C[N@@H+]2C[C@@H]3Cc4nnc(C(=O)NCc5ccccc5)n4C[C@H]3C2)n1 ZINC000306127358 568890230 /nfs/dbraw/zinc/89/02/30/568890230.db2.gz FWRSIHHKEGEYJR-RBUKOAKNSA-N 1 1 402.502 2.216 40 0 HEABMO CC(C)[NH+]1CCN(C(=O)c2nc([C@@H]3CCCN3C(=O)N(C)C)n3ccccc23)CC1 ZINC000306139478 568901379 /nfs/dbraw/zinc/90/13/79/568901379.db2.gz SYFMIBARDZJSMF-SFHVURJKSA-N 1 1 412.538 2.319 40 0 HEABMO CCn1cc(C[N@@H+]2C[C@@H]3Cc4nnc(C(=O)Nc5ccc(OC)cc5)n4C[C@H]3C2)cn1 ZINC000306141000 568902895 /nfs/dbraw/zinc/90/28/95/568902895.db2.gz VIOAYHMBZPQWRT-DLBZAZTESA-N 1 1 421.505 2.060 40 0 HEABMO C[NH+](C)CCCNc1nc(NNc2ccc(N[SH](=O)=O)cc2)cc(C2CC2)n1 ZINC000329029731 568973486 /nfs/dbraw/zinc/97/34/86/568973486.db2.gz QAMFAMTWWHCTKA-UHFFFAOYSA-N 1 1 405.528 2.926 40 0 HEABMO C[NH+]1CCN(N2CN=C3N[C@H]([C@@H]4CC=CCC4)n4c5ccccc5nc4N3C2)CC1 ZINC000226313350 569285028 /nfs/dbraw/zinc/28/50/28/569285028.db2.gz ZGZGYXPDSCPVNJ-XLIONFOSSA-N 1 1 406.538 2.050 40 0 HEABMO CC[NH+]1CCN(C(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2C)CC1 ZINC000033630647 569350799 /nfs/dbraw/zinc/35/07/99/569350799.db2.gz OUEHGEMSZDJSTB-UHFFFAOYSA-N 1 1 423.579 2.149 40 0 HEABMO CCOC(=O)[C@H]1C[C@]23C=C[C@]1(OC)[C@H]1Oc4c5c(ccc4OC)C[C@H]2[N@H+](C)CC[C@]513 ZINC000096316402 291204561 /nfs/dbraw/zinc/20/45/61/291204561.db2.gz ONBDLKAADLMHFE-NXSPSLAJSA-N 1 1 411.498 2.479 40 0 biogenic,in-vitro HEABMO CN(C)c1ccc(NC(=S)NC[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3CN2CCOCC2)cc1 ZINC000020503812 291205332 /nfs/dbraw/zinc/20/53/32/291205332.db2.gz IVPDLCMZPNGMEF-BBTUJRGHSA-N 1 1 417.623 2.082 40 0 biogenic,in-vitro HEABMO COc1ccccc1C[NH+]1CCC(O)(c2csc(CN3CCN(C)CC3)n2)CC1 ZINC000225471895 291209692 /nfs/dbraw/zinc/20/96/92/291209692.db2.gz TZZLELTZIDVWRG-UHFFFAOYSA-N 1 1 416.591 2.383 40 0 biogenic,in-vitro HEABMO Cc1ccc(S(=O)(=O)N(C)CC(=O)NCCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000032399167 525494643 /nfs/dbraw/zinc/49/46/43/525494643.db2.gz RDVAEPUCDQEKME-UHFFFAOYSA-N 1 1 415.559 2.180 40 0 HEABMO CC[N@@H+]1CCc2c(sc(NC(=S)NC(=O)c3ccccc3F)c2C(N)=O)C1 ZINC000000850034 557100669 /nfs/dbraw/zinc/10/06/69/557100669.db2.gz RLVVAVURJGLZON-UHFFFAOYSA-N 1 1 406.508 2.491 40 0 HEABMO CC[N@H+]1CCc2c(sc(NC(=S)NC(=O)c3ccccc3F)c2C(N)=O)C1 ZINC000000850034 557100673 /nfs/dbraw/zinc/10/06/73/557100673.db2.gz RLVVAVURJGLZON-UHFFFAOYSA-N 1 1 406.508 2.491 40 0 HEABMO Cc1cc(C)cc(NS(=O)(=O)c2ccc(OCC(=O)N3CC[NH+](C)CC3)cc2)c1 ZINC000035375658 557703140 /nfs/dbraw/zinc/70/31/40/557703140.db2.gz ZUBKEGFALYNJSJ-UHFFFAOYSA-N 1 1 417.531 2.257 40 0 HEABMO O=C(Nc1cccc(O)c1)[C@H]1C[N@H+]2CC[C@@H]1C[C@@H]2Cn1cc(-c2ccccn2)nn1 ZINC000008254330 557778512 /nfs/dbraw/zinc/77/85/12/557778512.db2.gz QVFYBKSOGAHNBZ-SUMDDJOVSA-N 1 1 404.474 2.395 40 0 biogenic,in-vitro HEABMO O=c1[nH]c2ccc(S(=O)(=O)NC[C@@H](c3ccc(F)cc3)[NH+]3CCCC3)cc2[nH]1 ZINC000012239300 558359903 /nfs/dbraw/zinc/35/99/03/558359903.db2.gz VJFJNIULIKVWJP-SFHVURJKSA-N 1 1 404.467 2.111 40 0 HEABMO COc1cc(CCC(=O)N2CCC[C@H](c3nc4c(c(=O)[nH]3)C[N@@H+](C)CC4)C2)ccc1C ZINC000019214641 558849757 /nfs/dbraw/zinc/84/97/57/558849757.db2.gz NWQCNCNLIHEOKN-SFHVURJKSA-N 1 1 424.545 2.414 40 0 HEABMO O=C(c1cccnc1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@H+](C2CCCCC2)C3)C1 ZINC000019337359 558870366 /nfs/dbraw/zinc/87/03/66/558870366.db2.gz XTJVCWHOLFKIFW-QGZVFWFLSA-N 1 1 407.518 2.485 40 0 HEABMO COc1ccc(CC(=O)N2CCC[C@H]2c2nc3c(c(=O)[nH]2)C[N@H+](C(C)C)CC3)cc1 ZINC000019448263 558887000 /nfs/dbraw/zinc/88/70/00/558887000.db2.gz VTJCLEDPELEUOK-FQEVSTJZSA-N 1 1 410.518 2.451 40 0 HEABMO CC(C)[N@H+]1CCc2nc([C@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)[nH]c(=O)c2C1 ZINC000019448319 558887427 /nfs/dbraw/zinc/88/74/27/558887427.db2.gz RGXDEQVYBUPWCS-GOSISDBHSA-N 1 1 420.510 2.201 40 0 HEABMO COc1ccccc1CC(=O)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@H+](C(C)C)CC2 ZINC000019448283 558887492 /nfs/dbraw/zinc/88/74/92/558887492.db2.gz YBWXFNYIDKBEAY-IBGZPJMESA-N 1 1 410.518 2.451 40 0 HEABMO C[C@@H]([NH2+]Cc1ccc2c(c1)n(C)c(=O)n2C)c1cc(=O)[nH]c(N2CCC(C)CC2)n1 ZINC000019497029 558895970 /nfs/dbraw/zinc/89/59/70/558895970.db2.gz YMJYYZHFVKNYNF-OAHLLOKOSA-N 1 1 410.522 2.047 40 0 HEABMO Cc1nn(CC(=O)N2CCC[C@H]2c2nc3c(c(=O)[nH]2)CC[N@H+](C(C)C)C3)c(C)c1C ZINC000019556468 558918851 /nfs/dbraw/zinc/91/88/51/558918851.db2.gz JANBSNMOHNSPTO-IBGZPJMESA-N 1 1 412.538 2.434 40 0 HEABMO COc1ccccc1C[N@H+]1CCC[C@@H](c2nc3c(c(=O)[nH]2)CN(C(=O)C2CC2)CC3)C1 ZINC000019570348 558929153 /nfs/dbraw/zinc/92/91/53/558929153.db2.gz UXUCBTYCRDQUMN-GOSISDBHSA-N 1 1 422.529 2.453 40 0 HEABMO CCOc1cc(C[N@@H+]2C[C@H]3ON=C(c4ccc(C)cc4)[C@@H]3C2)ccc1OCC(N)=O ZINC000072343259 558940913 /nfs/dbraw/zinc/94/09/13/558940913.db2.gz MPSLNPDDWIQUFU-WIYYLYMNSA-N 1 1 409.486 2.493 40 0 HEABMO CCOc1cc(C[N@H+]2C[C@H]3ON=C(c4ccc(C)cc4)[C@@H]3C2)ccc1OCC(N)=O ZINC000072343259 558940915 /nfs/dbraw/zinc/94/09/15/558940915.db2.gz MPSLNPDDWIQUFU-WIYYLYMNSA-N 1 1 409.486 2.493 40 0 HEABMO COCCC(=O)N1CCC(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccccc2)C3)CC1 ZINC000019593111 558944033 /nfs/dbraw/zinc/94/40/33/558944033.db2.gz FKDUFGGNPMCYFO-UHFFFAOYSA-N 1 1 410.518 2.483 40 0 HEABMO COCCC(=O)N1CCC(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccccc2)C3)CC1 ZINC000019593111 558944035 /nfs/dbraw/zinc/94/40/35/558944035.db2.gz FKDUFGGNPMCYFO-UHFFFAOYSA-N 1 1 410.518 2.483 40 0 HEABMO Cn1c2ccccc2nc(C(=O)N[C@@H](CC[NH+]2CCOCC2)c2ccccc2)c1=O ZINC000019715744 558976969 /nfs/dbraw/zinc/97/69/69/558976969.db2.gz ZEZRHDSQJSTGJO-SFHVURJKSA-N 1 1 406.486 2.127 40 0 HEABMO COC1(C)C[NH+](C[C@H]2CC3(CO2)CCN(S(=O)(=O)c2ccccc2C)CC3)C1 ZINC000585104256 559027010 /nfs/dbraw/zinc/02/70/10/559027010.db2.gz OVLQQGCZEGCPHZ-GOSISDBHSA-N 1 1 408.564 2.276 40 0 HEABMO CN(C)c1ccc(CC(=O)N2CCC3(CO[C@H](C[N@H+]4CCC[C@@H](O)C4)C3)CC2)cc1 ZINC000585104579 559027242 /nfs/dbraw/zinc/02/72/42/559027242.db2.gz QNZZBFPVQGNVDE-YADHBBJMSA-N 1 1 415.578 2.150 40 0 HEABMO CC[C@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000585106152 559028401 /nfs/dbraw/zinc/02/84/01/559028401.db2.gz SHTNCPCLSUQVFJ-DBVUQKKJSA-N 1 1 419.591 2.242 40 0 HEABMO CC[C@@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000585106153 559028468 /nfs/dbraw/zinc/02/84/68/559028468.db2.gz SLIYAIAVMXDTPE-RLLQIKCJSA-N 1 1 419.591 2.075 40 0 HEABMO CCOC(=O)[C@@]12C[N@H+](C(C)C)C[C@@H]1CN(C(=O)c1cn(C)nc1C(F)F)CCC2 ZINC000585108092 559029848 /nfs/dbraw/zinc/02/98/48/559029848.db2.gz WSKVZSSFIUBQSW-XOBRGWDASA-N 1 1 412.481 2.483 40 0 HEABMO CNC(=O)[C@@]12CCC3(CCN(C(=O)NCc4cccc(OC)c4)CC3)[C@@H]1C[N@@H+](C)C2 ZINC000096143838 559096227 /nfs/dbraw/zinc/09/62/27/559096227.db2.gz ABQQREZQUDABCL-WMZHIEFXSA-N 1 1 414.550 2.075 40 0 HEABMO COCC[N@H+]1CC2(CCN(C(=O)c3sccc3C)CC2)[C@@]2(CCN(C)C2=O)C1 ZINC000096144256 559096538 /nfs/dbraw/zinc/09/65/38/559096538.db2.gz TURNHCZAYLYNJE-NRFANRHFSA-N 1 1 405.564 2.089 40 0 HEABMO CN(C)S(=O)(=O)N1CCC2(CC1)C[N@@H+](Cc1cccnc1)Cc1ccccc12 ZINC000096242504 559104135 /nfs/dbraw/zinc/10/41/35/559104135.db2.gz JGEFFTXUIQKFPJ-UHFFFAOYSA-N 1 1 400.548 2.237 40 0 HEABMO CCOC(=O)N1CCC([N@H+]2CCOC[C@@](O)(COc3ccc(F)c(C)c3)C2)CC1 ZINC000585283135 559120456 /nfs/dbraw/zinc/12/04/56/559120456.db2.gz QCHOGFYVMMYBIY-OAQYLSRUSA-N 1 1 410.486 2.197 40 0 HEABMO COc1ccccc1C[N@@H+](C)C[C@@]1(O)CCN(C(=O)CCc2ccccc2)C[C@@H]1O ZINC000585283858 559120808 /nfs/dbraw/zinc/12/08/08/559120808.db2.gz IIIRPIDLXVMLMN-UPVQGACJSA-N 1 1 412.530 2.084 40 0 HEABMO CC(=O)N1CC[N@@H+](CC2(O)CCCCCC2)C[C@](O)(COc2ccc(F)c(C)c2)C1 ZINC000585284723 559121339 /nfs/dbraw/zinc/12/13/39/559121339.db2.gz ZFZOQXRYAPWVHJ-HSZRJFAPSA-N 1 1 422.541 2.493 40 0 HEABMO CC(=O)N1CC[N@@H+](CC2(O)CCCCC2)C[C@@](O)(COc2cc(C)cc(C)c2)C1 ZINC000585286697 559122068 /nfs/dbraw/zinc/12/20/68/559122068.db2.gz HUURBTUOYKNPPH-QHCPKHFHSA-N 1 1 404.551 2.273 40 0 HEABMO Cc1[nH+]ccn1-c1ccccc1CNS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000115958501 559188589 /nfs/dbraw/zinc/18/85/89/559188589.db2.gz YVSIYAHREAMALL-UHFFFAOYSA-N 1 1 405.501 2.063 40 0 HEABMO O[C@]1(CN2CCC(F)(F)CC2)CC[N@@H+](Cc2cccc(CN3CCOCC3)c2)C1 ZINC000257233168 559283891 /nfs/dbraw/zinc/28/38/91/559283891.db2.gz GOCLGIKTDXZOJM-NRFANRHFSA-N 1 1 409.521 2.187 40 0 HEABMO O[C@]1(C[NH+]2CCC(F)(F)CC2)CCN(Cc2cccc(CN3CCOCC3)c2)C1 ZINC000257233168 559283892 /nfs/dbraw/zinc/28/38/92/559283892.db2.gz GOCLGIKTDXZOJM-NRFANRHFSA-N 1 1 409.521 2.187 40 0 HEABMO CCOCCOc1ccc(C[N@@H+](C)C[C@]2(O)CCCN(c3ncccn3)C2)cc1 ZINC000257239736 559284032 /nfs/dbraw/zinc/28/40/32/559284032.db2.gz HQPIYEDOHXAPLF-JOCHJYFZSA-N 1 1 400.523 2.355 40 0 HEABMO CC[NH+]1CCN([C@@H](c2nnnn2Cc2ccccc2)c2cc(OC)ccc2OC)CC1 ZINC000019366848 560872866 /nfs/dbraw/zinc/87/28/66/560872866.db2.gz CZOUEQNBXDRLCE-JOCHJYFZSA-N 1 1 422.533 2.466 40 0 HEABMO CC[NH+]1CCN([C@@H](c2nnnn2Cc2ccccc2)c2ccc(OC)cc2OC)CC1 ZINC000019528039 560874650 /nfs/dbraw/zinc/87/46/50/560874650.db2.gz ZZBOKZPSWVGEPG-JOCHJYFZSA-N 1 1 422.533 2.466 40 0 HEABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CN(Cc1ccccc1)S(C)(=O)=O ZINC000223371142 568546689 /nfs/dbraw/zinc/54/66/89/568546689.db2.gz AULHCATUZZCSNT-UHFFFAOYSA-N 1 1 412.515 2.259 40 0 HEABMO COC(=O)c1cc(S(=O)(=O)NCc2cccc(C[NH+]3CCOCC3)c2)ccc1C ZINC000224752424 568595116 /nfs/dbraw/zinc/59/51/16/568595116.db2.gz GQRSZBBFWIMRDI-UHFFFAOYSA-N 1 1 418.515 2.092 40 0 HEABMO CC[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1nnc(NC(=O)C(C)C)s1 ZINC000225275633 568627277 /nfs/dbraw/zinc/62/72/77/568627277.db2.gz KIMZPYCNAWPQST-ZDUSSCGKSA-N 1 1 403.574 2.066 40 0 HEABMO CC[C@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1nnc(NC(=O)C(C)C)s1 ZINC000225275633 568627279 /nfs/dbraw/zinc/62/72/79/568627279.db2.gz KIMZPYCNAWPQST-ZDUSSCGKSA-N 1 1 403.574 2.066 40 0 HEABMO CC1(C)CCC2(CC[NH+](CC(=O)N3CCc4ccccc43)CC2)CN1S(C)(=O)=O ZINC000257201762 568776584 /nfs/dbraw/zinc/77/65/84/568776584.db2.gz AIYMENHAIGYMRH-UHFFFAOYSA-N 1 1 419.591 2.492 40 0 HEABMO NC(=O)[C@@]1(c2ccccn2)CCC[N@H+](CC(=O)Nc2ccc(N3CCCC3)cc2)C1 ZINC000257232819 568785500 /nfs/dbraw/zinc/78/55/00/568785500.db2.gz GMOKMYRENOWFED-QHCPKHFHSA-N 1 1 407.518 2.139 40 0 HEABMO NC(=O)[C@@]1(c2ccccn2)CCC[N@@H+](CC(=O)Nc2ccc(N3CCCC3)cc2)C1 ZINC000257232819 568785502 /nfs/dbraw/zinc/78/55/02/568785502.db2.gz GMOKMYRENOWFED-QHCPKHFHSA-N 1 1 407.518 2.139 40 0 HEABMO Cc1cc(C(=O)N2CCC[C@@](O)(C[N@@H+](C)Cc3ccc(F)cc3)CC2)[nH]c(=O)n1 ZINC000257252595 568791225 /nfs/dbraw/zinc/79/12/25/568791225.db2.gz JVIIVFKXJDFWQT-NRFANRHFSA-N 1 1 402.470 2.119 40 0 HEABMO CCc1[nH+]ccn1CC(=O)N1CC[C@H](Oc2ccc(Cl)cc2)[C@@H](CC(N)=O)C1 ZINC000257255830 568791956 /nfs/dbraw/zinc/79/19/56/568791956.db2.gz KJAOWWJPCQIYSP-YOEHRIQHSA-N 1 1 404.898 2.270 40 0 HEABMO Cc1nc2sccn2c1C[N@@H+]1CCC[C@H](c2n[nH]cc2C(=O)N2CCOCC2)C1 ZINC000257285891 568800129 /nfs/dbraw/zinc/80/01/29/568800129.db2.gz PJIPZXQTGGZCRP-HNNXBMFYSA-N 1 1 414.535 2.279 40 0 HEABMO Cc1nc2sccn2c1C[N@H+]1CCC[C@H](c2n[nH]cc2C(=O)N2CCOCC2)C1 ZINC000257285891 568800130 /nfs/dbraw/zinc/80/01/30/568800130.db2.gz PJIPZXQTGGZCRP-HNNXBMFYSA-N 1 1 414.535 2.279 40 0 HEABMO Cc1cccc(N2CCC(O)(C[N@H+]3CCC[C@](C(N)=O)(c4ccccn4)C3)CC2)c1 ZINC000257327617 568812400 /nfs/dbraw/zinc/81/24/00/568812400.db2.gz XCAZLHYETXCKGS-XMMPIXPASA-N 1 1 408.546 2.240 40 0 HEABMO COc1ccc(NC(=O)c2nnc3n2C[C@@H]2C[N@H+](Cc4cccnc4)C[C@@H]2C3)cc1 ZINC000306130060 568892354 /nfs/dbraw/zinc/89/23/54/568892354.db2.gz IVMIAHAQDVTOES-IRXDYDNUSA-N 1 1 404.474 2.238 40 0 HEABMO O=C1N(CC2CC2)CCO[C@]12C[N@@H+](Cc1ccc3c(c1)OCO3)C[C@H]2c1cccnc1 ZINC000306130079 568892397 /nfs/dbraw/zinc/89/23/97/568892397.db2.gz IVVUCJFNOPQVCL-RDPSFJRHSA-N 1 1 421.497 2.417 40 0 HEABMO O=c1c(=O)n(Cc2cccs2)nc2n1CC[C@]21CC[N@H+](Cc2ccccc2F)C1 ZINC000306130330 568892788 /nfs/dbraw/zinc/89/27/88/568892788.db2.gz JCUQHNBMVVFXIC-NRFANRHFSA-N 1 1 412.490 2.201 40 0 HEABMO Cc1cccc(C[N@H+]2CC[C@@]3(CCn4c3nn(Cc3cccs3)c(=O)c4=O)C2)c1 ZINC000306131184 568893505 /nfs/dbraw/zinc/89/35/05/568893505.db2.gz JYHGPNXXILFMOC-JOCHJYFZSA-N 1 1 408.527 2.371 40 0 HEABMO CCn1cc(C[N@H+]2C[C@H](c3cn(C(C)C)cn3)[C@]3(CCN(CCOC)C3=O)C2)cn1 ZINC000306131461 568893674 /nfs/dbraw/zinc/89/36/74/568893674.db2.gz KFHHDUKEZGUQSN-KNQAVFIVSA-N 1 1 414.554 2.145 40 0 HEABMO O=C1N(Cc2ccncc2)CCO[C@@]12C[N@@H+](Cc1ccco1)C[C@@H]2c1cccnc1 ZINC000306132791 568895090 /nfs/dbraw/zinc/89/50/90/568895090.db2.gz LSEZDQOYRQUHQK-FYYLOGMGSA-N 1 1 404.470 2.467 40 0 HEABMO Cn1cc(C[N@H+]2C[C@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccccc2)C3=O)cn1 ZINC000306133915 568895854 /nfs/dbraw/zinc/89/58/54/568895854.db2.gz MZDQKQLFWHTJCB-VWNXMTODSA-N 1 1 417.513 2.212 40 0 HEABMO COc1ccc(C[N@H+]2C[C@@H]3[C@H](C2)N(C)c2ncccc2S(=O)(=O)N3C(C)C)cc1 ZINC000306137100 568898822 /nfs/dbraw/zinc/89/88/22/568898822.db2.gz QLLILXHJJLMYCS-RBUKOAKNSA-N 1 1 416.547 2.192 40 0 HEABMO COc1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)N(C)c2ncccc2S(=O)(=O)N3C(C)C)cc1 ZINC000306137100 568898824 /nfs/dbraw/zinc/89/88/24/568898824.db2.gz QLLILXHJJLMYCS-RBUKOAKNSA-N 1 1 416.547 2.192 40 0 HEABMO CN(Cc1ccccc1)C(=O)[C@H]1CN(C)CC2(CC[NH+](Cc3cccnc3)CC2)O1 ZINC000306141358 568903071 /nfs/dbraw/zinc/90/30/71/568903071.db2.gz VTAWNOJXILTURM-JOCHJYFZSA-N 1 1 408.546 2.405 40 0 HEABMO CC[NH+]1CCN(C(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)CC1 ZINC000006953318 569335636 /nfs/dbraw/zinc/33/56/36/569335636.db2.gz MFZXJTCPDMICOD-UHFFFAOYSA-N 1 1 401.532 2.354 40 0 HEABMO CN(C)c1cc(CN(C)CC(=O)N2CCc3ccccc32)nc([C@@H]2CCC[N@@H+]2C)n1 ZINC000019760088 569348855 /nfs/dbraw/zinc/34/88/55/569348855.db2.gz ORWFFVJTXINQMR-FQEVSTJZSA-N 1 1 408.550 2.330 40 0 HEABMO CN(C)c1cc(CN(C)CC(=O)N2CCc3ccccc32)nc([C@@H]2CCC[N@H+]2C)n1 ZINC000019760088 569348856 /nfs/dbraw/zinc/34/88/56/569348856.db2.gz ORWFFVJTXINQMR-FQEVSTJZSA-N 1 1 408.550 2.330 40 0 HEABMO CC(=O)N1CCC([N@@H+]2C[C@H]3C[C@H](Cn4c(=O)ccc(NC(=O)C(C)(C)C)c43)C2)CC1 ZINC000008300418 291202628 /nfs/dbraw/zinc/20/26/28/291202628.db2.gz MAQOGIQYESNWDN-DLBZAZTESA-N 1 1 414.550 2.263 40 0 biogenic,in-vitro HEABMO CCOC(=O)c1ccc(N2C(=O)C=C(N3CC[NH+](Cc4ccccc4)CC3)C2=O)cc1 ZINC000020168797 521481658 /nfs/dbraw/zinc/48/16/58/521481658.db2.gz IPIAMBBMRSAMNM-UHFFFAOYSA-N 1 1 419.481 2.438 40 0 HEABMO CN(C)S(=O)(=O)c1cccc(C(=O)NCCC[N@H+]2CCc3ccccc3C2)c1 ZINC000032398812 521996530 /nfs/dbraw/zinc/99/65/30/521996530.db2.gz JJURZZYGWYPYIX-UHFFFAOYSA-N 1 1 401.532 2.115 40 0 HEABMO O=c1c2c(ccn1CCC[NH+]1CCOCC1)nc1ncnn1c2-c1ccccc1Cl ZINC000040398063 527456397 /nfs/dbraw/zinc/45/63/97/527456397.db2.gz SXIAQRFBQNQYHT-UHFFFAOYSA-N 1 1 424.892 2.482 40 0 HEABMO O=C(C[N@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000004028927 557505846 /nfs/dbraw/zinc/50/58/46/557505846.db2.gz CQWNDXGVDUSZRS-CVEARBPZSA-N 1 1 420.488 2.473 40 0 HEABMO Cn1c(=O)c2ccc([C@@H]3CCC[N@@H+](Cc4ccc5[nH]ccc5c4)C3)nc2n(C)c1=O ZINC000019743006 558263240 /nfs/dbraw/zinc/26/32/40/558263240.db2.gz BUXKPEHGVAARBH-QGZVFWFLSA-N 1 1 403.486 2.493 40 0 HEABMO O=C(C[NH+]1CCC(c2nc(-c3ccncc3)n[nH]2)CC1)Nc1ccc2c(c1)OCCO2 ZINC000012114890 558327538 /nfs/dbraw/zinc/32/75/38/558327538.db2.gz HULBMGCSGNEQEL-UHFFFAOYSA-N 1 1 420.473 2.456 40 0 HEABMO Cc1[nH]c2c(ccc(C)c2C)c1CC(=O)N(CC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000012360884 558387080 /nfs/dbraw/zinc/38/70/80/558387080.db2.gz VCQYNRSZGUQGKU-KRWDZBQOSA-N 1 1 405.564 2.213 40 0 HEABMO COc1ccc(CCN2Cn3c4ccccc4nc3N(N3CC[NH+](C)CC3)C2)cc1 ZINC000020637252 558396364 /nfs/dbraw/zinc/39/63/64/558396364.db2.gz VNGKOCBEMXKQLO-UHFFFAOYSA-N 1 1 406.534 2.487 40 0 HEABMO Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCC[NH+]3CCOCC3)c2)cc1 ZINC000022874287 558518394 /nfs/dbraw/zinc/51/83/94/558518394.db2.gz WRLWLVGMLHQSNN-UHFFFAOYSA-N 1 1 417.531 2.248 40 0 HEABMO CC(C)C(=O)N1CCCc2cc([C@H](O)C[NH+]3CCN(c4cnccn4)CC3)ccc21 ZINC000036741219 558802046 /nfs/dbraw/zinc/80/20/46/558802046.db2.gz HUHYLFGQAFGRMT-OAQYLSRUSA-N 1 1 409.534 2.267 40 0 HEABMO CC(C)C(=O)N1CCCc2cc([C@@H](O)C[NH+]3CCN(c4cnccn4)CC3)ccc21 ZINC000036741220 558802138 /nfs/dbraw/zinc/80/21/38/558802138.db2.gz HUHYLFGQAFGRMT-NRFANRHFSA-N 1 1 409.534 2.267 40 0 HEABMO COc1cc(C[N@H+]2CC[C@@](O)(c3ccccc3)C2)ccc1OCCN1CCOCC1 ZINC000036743628 558802504 /nfs/dbraw/zinc/80/25/04/558802504.db2.gz MFXJCMJTJJGBBX-DEOSSOPVSA-N 1 1 412.530 2.500 40 0 HEABMO Cc1cnc(-c2nnc([C@H]3CCN(C(=O)C[N@@H+]4CCc5ccccc5C4)C3)o2)cn1 ZINC000019239156 558857866 /nfs/dbraw/zinc/85/78/66/558857866.db2.gz SQEIQWVWTJASCV-SFHVURJKSA-N 1 1 404.474 2.209 40 0 HEABMO Cc1cnc(-c2nnc([C@H]3CCN(C(=O)C[N@H+]4CCc5ccccc5C4)C3)o2)cn1 ZINC000019239156 558857867 /nfs/dbraw/zinc/85/78/67/558857867.db2.gz SQEIQWVWTJASCV-SFHVURJKSA-N 1 1 404.474 2.209 40 0 HEABMO CC(C)[N@H+]1CCc2nc([C@@H]3CCCCN3S(=O)(=O)c3ccccc3)[nH]c(=O)c2C1 ZINC000019448204 558887083 /nfs/dbraw/zinc/88/70/83/558887083.db2.gz RMSRTAHRCAQJTN-IBGZPJMESA-N 1 1 416.547 2.452 40 0 HEABMO COc1ccccc1CC(=O)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@H+](C(C)C)CC2 ZINC000019448281 558887168 /nfs/dbraw/zinc/88/71/68/558887168.db2.gz YBWXFNYIDKBEAY-LJQANCHMSA-N 1 1 410.518 2.451 40 0 HEABMO C[C@H](CC[NH+]1CCOCC1)NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C1CC1)N2 ZINC000019455694 558891800 /nfs/dbraw/zinc/89/18/00/558891800.db2.gz PFRMPCOSDVLVSZ-IVMMDQJWSA-N 1 1 415.460 2.421 40 0 HEABMO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2cccc4cccnc42)C3)C[C@@H](C)O1 ZINC000019497603 558896414 /nfs/dbraw/zinc/89/64/14/558896414.db2.gz PGJUTWVFDYSYAC-HZPDHXFCSA-N 1 1 405.502 2.490 40 0 HEABMO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2cccc4cccnc42)C3)C[C@@H](C)O1 ZINC000019497603 558896417 /nfs/dbraw/zinc/89/64/17/558896417.db2.gz PGJUTWVFDYSYAC-HZPDHXFCSA-N 1 1 405.502 2.490 40 0 HEABMO Cc1nn(CC(=O)N2CCC[C@@H]2c2nc3c(c(=O)[nH]2)CC[N@H+](C(C)C)C3)c(C)c1C ZINC000019556471 558918887 /nfs/dbraw/zinc/91/88/87/558918887.db2.gz JANBSNMOHNSPTO-LJQANCHMSA-N 1 1 412.538 2.434 40 0 HEABMO COc1ccccc1C[N@@H+]1CCc2c(=O)[nH]c([C@@H]3CCN(C(=O)C4CC4)C3)nc2C1 ZINC000019570664 558929525 /nfs/dbraw/zinc/92/95/25/558929525.db2.gz RHLMTFCEBDASMN-QGZVFWFLSA-N 1 1 408.502 2.063 40 0 HEABMO COc1ccccc1C[N@H+]1CCc2c(=O)[nH]c([C@@H]3CCN(C(=O)C4CC4)C3)nc2C1 ZINC000019570664 558929527 /nfs/dbraw/zinc/92/95/27/558929527.db2.gz RHLMTFCEBDASMN-QGZVFWFLSA-N 1 1 408.502 2.063 40 0 HEABMO CNc1nc([C@@H]2CCC[N@@H+](C)C2)nc2c1CN(S(=O)(=O)c1ccc(F)cc1)CC2 ZINC000072372302 558959605 /nfs/dbraw/zinc/95/96/05/558959605.db2.gz APQVMYKYXHWRRT-CQSZACIVSA-N 1 1 419.526 2.214 40 0 HEABMO COC[C@@H](C)NC(=O)C[NH+]1CCC(c2cccc(Nc3nnc(C)s3)n2)CC1 ZINC000072376170 558965408 /nfs/dbraw/zinc/96/54/08/558965408.db2.gz LCLPCPAGGNEQKC-CYBMUJFWSA-N 1 1 404.540 2.316 40 0 HEABMO COc1ncc([C@@]2(O)CC[C@@H]3C[N@@H+](Cc4ccccc4-n4cccn4)C[C@@H]32)c(OC)n1 ZINC000072395407 558974378 /nfs/dbraw/zinc/97/43/78/558974378.db2.gz IXSDSBPWARIWBL-ICPLQIHGSA-N 1 1 421.501 2.409 40 0 HEABMO O=C([C@H](c1ccc(F)cc1)N1CCOCC1)N1CCC[N@H+](Cc2ccccn2)CC1 ZINC000019717202 558979749 /nfs/dbraw/zinc/97/97/49/558979749.db2.gz UMLPJEOYPCTTLS-QFIPXVFZSA-N 1 1 412.509 2.329 40 0 HEABMO O=C([C@H](c1ccc(F)cc1)N1CCOCC1)N1CCC[N@@H+](Cc2ccccn2)CC1 ZINC000019717202 558979751 /nfs/dbraw/zinc/97/97/51/558979751.db2.gz UMLPJEOYPCTTLS-QFIPXVFZSA-N 1 1 412.509 2.329 40 0 HEABMO COc1cc(OC)cc(C(=O)N2CCC3(CO[C@H](C[N@H+]4CCC[C@@H](O)C4)C3)CC2)c1 ZINC000585103081 559026399 /nfs/dbraw/zinc/02/63/99/559026399.db2.gz CIIRWZWYQWNSES-NQIIRXRSSA-N 1 1 418.534 2.172 40 0 HEABMO COC[C@@H]1CC2(C[N@H+]1Cc1cccnc1)CCN(C(=O)CCc1cncnc1)CC2 ZINC000585103248 559026560 /nfs/dbraw/zinc/02/65/60/559026560.db2.gz AWUKOVWDJZWHEU-NRFANRHFSA-N 1 1 409.534 2.334 40 0 HEABMO O=C1C[C@@]2(CN1c1ccncn1)COCC[N@@H+](Cc1ccc(-c3csnn3)cc1)C2 ZINC000585104487 559027040 /nfs/dbraw/zinc/02/70/40/559027040.db2.gz OJAULVXGDTZREW-OAQYLSRUSA-N 1 1 422.514 2.251 40 0 HEABMO CCOC(=O)[C@@]12C[N@@H+](Cc3cccc(C)n3)C[C@@H]1CN(C(=O)c1cnccn1)CCC2 ZINC000096056091 559094017 /nfs/dbraw/zinc/09/40/17/559094017.db2.gz KNAMOATXEQFDRG-JPYJTQIMSA-N 1 1 423.517 2.098 40 0 HEABMO CN(C)C(=O)[C@@]12C[N@@H+](Cc3cnn(C)c3)C[C@@H]1CN(C(=O)CC1CCCC1)CCC2 ZINC000096083071 559094904 /nfs/dbraw/zinc/09/49/04/559094904.db2.gz IZJRIYJNCZPTGE-OFNKIYASSA-N 1 1 415.582 2.129 40 0 HEABMO CN1CC[C@@]2(C[N@@H+](Cc3cccnc3)CC23CCN(C(=O)N2CCCC2)CC3)C1=O ZINC000096144292 559096497 /nfs/dbraw/zinc/09/64/97/559096497.db2.gz DHSJNCFRDRNJML-HSZRJFAPSA-N 1 1 411.550 2.044 40 0 HEABMO COCC[N@@H+](C)C[C@H]1CO[C@]2(C1)CCCN(C(=O)c1nn(C)c3ccccc31)C2 ZINC000096228492 559102885 /nfs/dbraw/zinc/10/28/85/559102885.db2.gz RKVOSAMHVZNAQF-JTSKRJEESA-N 1 1 400.523 2.163 40 0 HEABMO CN(C)C(=O)[C@@]12C[N@@H+](Cc3cnn(C)c3)C[C@@H]1CN(C(=O)Nc1ccccc1)CCC2 ZINC000096251296 559105410 /nfs/dbraw/zinc/10/54/10/559105410.db2.gz DOOJHVZTQDIPMS-XXBNENTESA-N 1 1 424.549 2.254 40 0 HEABMO CC[N@H+]1CC[C@@]2(C(=O)N3CCCC3)CCN(S(=O)(=O)c3ccccc3)CC[C@@H]12 ZINC000096263649 559107196 /nfs/dbraw/zinc/10/71/96/559107196.db2.gz DREBRZNWNRYQEA-TZIWHRDSSA-N 1 1 405.564 2.174 40 0 HEABMO CCOC(=O)N1CCC([N@H+]2CC[C@H](O)[C@@](O)(COc3cccc(Cl)c3)C2)CC1 ZINC000585282647 559120163 /nfs/dbraw/zinc/12/01/63/559120163.db2.gz MBIYJJADGHTSBC-ICSRJNTNSA-N 1 1 412.914 2.137 40 0 HEABMO O=C1CO[C@H]2C[N@H+](C[C@@]3(O)CC[C@H](c4ccccc4)CC3)C[C@@H]2N1C1CCOCC1 ZINC000585283218 559120564 /nfs/dbraw/zinc/12/05/64/559120564.db2.gz LZPAOTFYOGMVDN-NRTAZHGZSA-N 1 1 414.546 2.166 40 0 HEABMO CCOC(=O)N1CCC([N@H+]2CC[C@H](O)[C@@](O)(COc3c(C)ccc(C)c3C)C2)CC1 ZINC000585285894 559121703 /nfs/dbraw/zinc/12/17/03/559121703.db2.gz DPIOAVVSJGAZEG-REWPJTCUSA-N 1 1 420.550 2.409 40 0 HEABMO C[N@@H+](CCc1ccccc1)C[C@@]1(O)CN(C(=O)c2ccc(Cl)cc2)CC[C@@H]1O ZINC000585286177 559121815 /nfs/dbraw/zinc/12/18/15/559121815.db2.gz WNZSDSBZCFHHMA-RBBKRZOGSA-N 1 1 402.922 2.452 40 0 HEABMO O=C(c1ccsc1)N1CCC2(C[N@@H+](Cc3cccnc3)C[C@@]23CCNC3=O)CC1 ZINC000097952841 559124979 /nfs/dbraw/zinc/12/49/79/559124979.db2.gz YUNYXTGZOSTXEW-JOCHJYFZSA-N 1 1 410.543 2.388 40 0 HEABMO CCN1CC[C@@]2(C[N@@H+](CCOC)CC23CCN(C(=O)Cc2ccsc2)CC3)C1=O ZINC000103475243 559156040 /nfs/dbraw/zinc/15/60/40/559156040.db2.gz JTRZBDVBXNDVFP-JOCHJYFZSA-N 1 1 419.591 2.100 40 0 HEABMO NC(=O)[C@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1OCC[NH+]1CCCC1 ZINC000257232055 559283940 /nfs/dbraw/zinc/28/39/40/559283940.db2.gz GJGHYJGNMQBSSA-HSZRJFAPSA-N 1 1 422.573 2.333 40 0 HEABMO COCC(=O)N[C@H]1[C@H](c2ccccc2)[N@H+](Cc2ccc3c(c2)OCO3)CC[C@@]1(C)O ZINC000604383116 568489694 /nfs/dbraw/zinc/48/96/94/568489694.db2.gz KZGVOZQUXDLPRO-RJGXRXQPSA-N 1 1 412.486 2.245 40 0 biogenic,in-vitro HEABMO COCC(=O)N[C@H]1[C@H](c2ccccc2)[N@@H+](Cc2ccc3c(c2)OCO3)CC[C@@]1(C)O ZINC000604383116 568489695 /nfs/dbraw/zinc/48/96/95/568489695.db2.gz KZGVOZQUXDLPRO-RJGXRXQPSA-N 1 1 412.486 2.245 40 0 biogenic,in-vitro HEABMO C[C@@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)N(c1cccc(F)c1)S(C)(=O)=O ZINC000220471673 568505907 /nfs/dbraw/zinc/50/59/07/568505907.db2.gz QRBXJOATHKWLDF-KRWDZBQOSA-N 1 1 419.522 2.325 40 0 HEABMO Oc1cccnc1C[N@H+]1CC[C@@]2(C1)COCc1cnc(NCC3CCOCC3)nc12 ZINC000248069862 568747120 /nfs/dbraw/zinc/74/71/20/568747120.db2.gz XODVTMLTGWOKQK-JOCHJYFZSA-N 1 1 411.506 2.090 40 0 HEABMO CC(=O)N1CC[NH+]([C@@H]2CC[C@@H](N(C)C(=O)c3oc4c(cccc4F)c3C)[C@H]2O)CC1 ZINC000257229202 568784821 /nfs/dbraw/zinc/78/48/21/568784821.db2.gz FXDIAYWOZBWASC-GUDVDZBRSA-N 1 1 417.481 2.008 40 0 HEABMO Cc1ccc(N2CCC(O)(C[N@H+]3CCC[C@@](C(N)=O)(c4ccccn4)C3)CC2)cc1 ZINC000257244303 568788734 /nfs/dbraw/zinc/78/87/34/568788734.db2.gz IKSXSYPQGFPMLK-DEOSSOPVSA-N 1 1 408.546 2.240 40 0 HEABMO O=C(c1ccc2n[nH]nc2c1)N1CCC[C@](O)(C[N@H+]2CCc3ccccc3C2)CC1 ZINC000257259595 568792721 /nfs/dbraw/zinc/79/27/21/568792721.db2.gz KZASYWKRJFSSOP-HSZRJFAPSA-N 1 1 405.502 2.373 40 0 HEABMO O=C(c1ccc2[nH]nnc2c1)N1CCC[C@](O)(C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000257259595 568792722 /nfs/dbraw/zinc/79/27/22/568792722.db2.gz KZASYWKRJFSSOP-HSZRJFAPSA-N 1 1 405.502 2.373 40 0 HEABMO O=C(c1ccc2[nH]nnc2c1)N1CCC[C@](O)(C[N@H+]2CCc3ccccc3C2)CC1 ZINC000257259595 568792723 /nfs/dbraw/zinc/79/27/23/568792723.db2.gz KZASYWKRJFSSOP-HSZRJFAPSA-N 1 1 405.502 2.373 40 0 HEABMO O=C(c1csc(Cc2ccccc2)n1)N1CC[C@H](O)[C@@H]([NH+]2CCOCC2)CC1 ZINC000257329093 568812783 /nfs/dbraw/zinc/81/27/83/568812783.db2.gz XIJBEAXAAUPDDL-OALUTQOASA-N 1 1 401.532 2.032 40 0 HEABMO O=C1N(Cc2ccncc2)CCO[C@@]12C[N@@H+](Cc1ccncc1)C[C@@H]2c1cccnc1 ZINC000306123032 568886168 /nfs/dbraw/zinc/88/61/68/568886168.db2.gz ACWVAYMRIVOQMH-ISKFKSNPSA-N 1 1 415.497 2.269 40 0 HEABMO COc1ccccc1C[N@H+]1CCOC[C@@]2(CC[C@H](CNC(=O)c3cccnc3)O2)C1 ZINC000306125769 568888566 /nfs/dbraw/zinc/88/85/66/568888566.db2.gz DBVZISPYSRIZPL-NFBKMPQASA-N 1 1 411.502 2.270 40 0 HEABMO COc1ccccc1C[N@H+]1CCOC[C@@]2(CC[C@@H](CNC(=O)c3cccnc3)O2)C1 ZINC000306125770 568888610 /nfs/dbraw/zinc/88/86/10/568888610.db2.gz DBVZISPYSRIZPL-NZQKXSOJSA-N 1 1 411.502 2.270 40 0 HEABMO CCOc1cc(C[N@@H+]2CCOC[C@]3(CC[C@H](CN4CCCC4=O)O3)C2)ccc1O ZINC000306127477 568890210 /nfs/dbraw/zinc/89/02/10/568890210.db2.gz FZHPLYZTBLWHFM-GCJKJVERSA-N 1 1 404.507 2.163 40 0 HEABMO CCOc1cc(C[N@H+]2CCOC[C@]3(CC[C@H](CN4CCCC4=O)O3)C2)ccc1O ZINC000306127477 568890212 /nfs/dbraw/zinc/89/02/12/568890212.db2.gz FZHPLYZTBLWHFM-GCJKJVERSA-N 1 1 404.507 2.163 40 0 HEABMO Cc1cccc(C[N@H+]2C[C@@H]3Cn4c(nnc4C(=O)NCc4ccccc4)C[C@@H]3C2)n1 ZINC000306127359 568890340 /nfs/dbraw/zinc/89/03/40/568890340.db2.gz FWRSIHHKEGEYJR-RTBURBONSA-N 1 1 402.502 2.216 40 0 HEABMO COCCN1C[C@@]2(CC[N@H+](Cc3ccccc3F)C2)Oc2ccccc2S1(=O)=O ZINC000306135778 568897807 /nfs/dbraw/zinc/89/78/07/568897807.db2.gz PALKNDBOZIARIY-NRFANRHFSA-N 1 1 420.506 2.500 40 0 HEABMO COCCN1C[C@@]2(CC[N@@H+](Cc3ccccc3F)C2)Oc2ccccc2S1(=O)=O ZINC000306135778 568897808 /nfs/dbraw/zinc/89/78/08/568897808.db2.gz PALKNDBOZIARIY-NRFANRHFSA-N 1 1 420.506 2.500 40 0 HEABMO CC(=O)N[C@@H]1CCCC[C@@]12C[N@H+](Cc1c(C)n(C)n(-c3ccccc3)c1=O)CCO2 ZINC000306140808 568902613 /nfs/dbraw/zinc/90/26/13/568902613.db2.gz VENNVLBNNMVINH-FYYLOGMGSA-N 1 1 412.534 2.134 40 0 HEABMO CC(=O)N[C@@H]1CCCC[C@@]12C[N@@H+](Cc1c(C)n(C)n(-c3ccccc3)c1=O)CCO2 ZINC000306140808 568902616 /nfs/dbraw/zinc/90/26/16/568902616.db2.gz VENNVLBNNMVINH-FYYLOGMGSA-N 1 1 412.534 2.134 40 0 HEABMO CN1Cc2nnc(C(=O)NC3CCCCC3)n2C[C@@]12CC[N@@H+](Cc1ccsc1)C2 ZINC000306141631 568903012 /nfs/dbraw/zinc/90/30/12/568903012.db2.gz WCMRHCGXGNMUBJ-NRFANRHFSA-N 1 1 414.579 2.492 40 0 HEABMO Cc1nc2sccn2c(=O)c1S(=O)(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000006859715 569157429 /nfs/dbraw/zinc/15/74/29/569157429.db2.gz LNYPICKEOHDPCJ-UHFFFAOYSA-N 1 1 418.544 2.007 40 0 HEABMO COc1ccc(OC)c(N2C[C@@H](C(=O)NC[C@H]3CCC[N@H+]4CCCC[C@H]34)CC2=O)c1 ZINC000225420641 569284839 /nfs/dbraw/zinc/28/48/39/569284839.db2.gz FWRCJYBVEAARJG-ZIFCJYIRSA-N 1 1 415.534 2.437 40 0 HEABMO Cc1ccc(C2(CN(CC[NH+](C)C)[C@@H]3CS(=O)(=O)C[C@H]3O)CCCCC2)cc1 ZINC000248054836 569316094 /nfs/dbraw/zinc/31/60/94/569316094.db2.gz XZXRQGSCOGNBPP-NHCUHLMSSA-N 1 1 408.608 2.218 40 0 HEABMO O=C([C@H]1CCCO1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@H+](C2CCCCC2)C3)C1 ZINC000019014899 569345157 /nfs/dbraw/zinc/34/51/57/569345157.db2.gz ZEAJTFDOYZDYTO-HNAYVOBHSA-N 1 1 400.523 2.368 40 0 HEABMO CC[NH+]1CCN(C(=O)[C@@]2(Cc3cc(-c4ccccc4)no3)CCN(C(C)=O)C2)CC1 ZINC000019703515 569347602 /nfs/dbraw/zinc/34/76/02/569347602.db2.gz FBNVWHBGGKQZNZ-HSZRJFAPSA-N 1 1 410.518 2.287 40 0 HEABMO C[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000408591642 557504289 /nfs/dbraw/zinc/50/42/89/557504289.db2.gz JUGCRUWXWOWONJ-LJQANCHMSA-N 1 1 421.950 2.004 40 0 HEABMO CC[NH+]1CCN(C(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2OC)CC1 ZINC000408701866 557725374 /nfs/dbraw/zinc/72/53/74/557725374.db2.gz HMXHFIUHSIVMDE-UHFFFAOYSA-N 1 1 409.552 2.038 40 0 HEABMO Cn1c(=O)c2ccc([C@H]3CCC[N@@H+](Cc4ccc5[nH]ccc5c4)C3)nc2n(C)c1=O ZINC000019743008 558263232 /nfs/dbraw/zinc/26/32/32/558263232.db2.gz BUXKPEHGVAARBH-KRWDZBQOSA-N 1 1 403.486 2.493 40 0 HEABMO C[N@@H+]1CCN(C(=O)Cn2cccc(C(=O)NC3CCCC3)c2=O)[C@@H](c2ccccc2)C1 ZINC000019746287 558266227 /nfs/dbraw/zinc/26/62/27/558266227.db2.gz ZYFYDMZTWPEAFN-OAQYLSRUSA-N 1 1 422.529 2.036 40 0 HEABMO C[N@H+]1CCN(C(=O)Cn2cccc(C(=O)NC3CCCC3)c2=O)[C@@H](c2ccccc2)C1 ZINC000019746287 558266230 /nfs/dbraw/zinc/26/62/30/558266230.db2.gz ZYFYDMZTWPEAFN-OAQYLSRUSA-N 1 1 422.529 2.036 40 0 HEABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000020108942 558334556 /nfs/dbraw/zinc/33/45/56/558334556.db2.gz CUQBUZVUOGYIBX-UHFFFAOYSA-N 1 1 412.515 2.426 40 0 HEABMO Cc1[nH]c2ccc(Cl)cc2c1CC(=O)N(CC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000012360882 558387117 /nfs/dbraw/zinc/38/71/17/558387117.db2.gz RCIFBQYMVYAVAO-HNNXBMFYSA-N 1 1 411.955 2.250 40 0 HEABMO CC[NH+]1CCN(C(=O)CCCN(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)CC1 ZINC000013678096 558565092 /nfs/dbraw/zinc/56/50/92/558565092.db2.gz XSLHSHJPINBHOE-UHFFFAOYSA-N 1 1 417.959 2.059 40 0 HEABMO Cc1cnc(C(=O)N2CC[C@H](c3nc4c(c(=O)[nH]3)CC[N@H+](C3CCCCC3)C4)C2)cn1 ZINC000019238826 558857539 /nfs/dbraw/zinc/85/75/39/558857539.db2.gz IBHKIOHXRJFDHT-INIZCTEOSA-N 1 1 422.533 2.189 40 0 HEABMO O=C(C[N@@H+]1CC[C@H]2[C@@H](C1)[C@H](c1ccc(F)cc1)CN2C(=O)c1ccccn1)NC1CC1 ZINC000019400281 558882931 /nfs/dbraw/zinc/88/29/31/558882931.db2.gz KBGKBJOYIGIISO-ONTIZHBOSA-N 1 1 422.504 2.429 40 0 HEABMO OCCn1ncc(-c2ccnc(N3CCCC3)n2)c1[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000019404192 558884418 /nfs/dbraw/zinc/88/44/18/558884418.db2.gz BECVHGKLUADVEO-HXUWFJFHSA-N 1 1 412.538 2.249 40 0 HEABMO CCCC(=O)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccccc2OC)C3)C1 ZINC000019501114 558899009 /nfs/dbraw/zinc/89/90/09/558899009.db2.gz OZZGNFGAQGGIPO-QGZVFWFLSA-N 1 1 410.518 2.453 40 0 HEABMO CCCC(=O)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccccc2OC)C3)C1 ZINC000019501114 558899012 /nfs/dbraw/zinc/89/90/12/558899012.db2.gz OZZGNFGAQGGIPO-QGZVFWFLSA-N 1 1 410.518 2.453 40 0 HEABMO CC[NH+]1CCN(C2CCN(C(=O)CCCc3nc(-c4ccccn4)no3)CC2)CC1 ZINC000019528124 558909223 /nfs/dbraw/zinc/90/92/23/558909223.db2.gz LBQSEFGGSXXVPW-UHFFFAOYSA-N 1 1 412.538 2.083 40 0 HEABMO COc1cc2c(cc1C[N@H+]1C[C@@H](c3ccncc3)[C@]3(C1)CCCC(=O)N3)OCCO2 ZINC000019550613 558915227 /nfs/dbraw/zinc/91/52/27/558915227.db2.gz QTHSIVUEGXQBRX-FDDCHVKYSA-N 1 1 409.486 2.500 40 0 HEABMO COc1ccccc1C[N@H+]1CC[C@@H](c2nc3c(c(=O)[nH]2)CCN(C(=O)C2CCC2)C3)C1 ZINC000019570072 558928902 /nfs/dbraw/zinc/92/89/02/558928902.db2.gz BWOXSLARLVLJHP-GOSISDBHSA-N 1 1 422.529 2.453 40 0 HEABMO COc1ccc(NC(=O)[C@@H]2C[N@@H+](C)C[C@]23CCc2ccccc2C(=O)N3)cc1OC ZINC000072334475 558935706 /nfs/dbraw/zinc/93/57/06/558935706.db2.gz SNXPNSGQOUJGLB-FDDCHVKYSA-N 1 1 409.486 2.319 40 0 HEABMO CN1CCN(c2nccc(C[N@@H+]3C[C@H]4[C@H](CC[C@]4(O)c4ccc(F)cc4)C3)n2)CC1 ZINC000072340412 558939107 /nfs/dbraw/zinc/93/91/07/558939107.db2.gz BRNJLPNTXYLCOG-FHZYATBESA-N 1 1 411.525 2.097 40 0 HEABMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)CN3C(=O)[C@@H]4[C@@H]5C=C[C@@H](C5)[C@@H]4C3=O)cc2)C1 ZINC000060548611 558943083 /nfs/dbraw/zinc/94/30/83/558943083.db2.gz JKOAALIAIJEOTA-OTWHFAOWSA-N 1 1 421.541 2.342 40 0 HEABMO COC(=O)Cn1cc(C[N@H+]2CCc3nc(N4CCCC4)[nH]c(=O)c3C2)c2ccccc21 ZINC000019592512 558943248 /nfs/dbraw/zinc/94/32/48/558943248.db2.gz GUOAOGRNSOFPGD-UHFFFAOYSA-N 1 1 421.501 2.056 40 0 HEABMO COCc1cc(=O)[nH]c([C@@H]2CCC[N@@H+](Cc3cc(OC)c(OC)c(OC)c3)C2)n1 ZINC000019594301 558945107 /nfs/dbraw/zinc/94/51/07/558945107.db2.gz JYDDPNDWQPJCEJ-OAHLLOKOSA-N 1 1 403.479 2.322 40 0 HEABMO CCCO[C@H]1CCC[N@@H+](CC(=O)N2CC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)C1 ZINC000072373084 558960941 /nfs/dbraw/zinc/96/09/41/558960941.db2.gz 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HEABMO Cc1ccc(OCC(=O)N2CCC3(CO[C@H](C[N@H+]4CCC[C@@H](O)C4)C3)CC2)cc1 ZINC000585104835 559027261 /nfs/dbraw/zinc/02/72/61/559027261.db2.gz UCSCGMGEPVRNBP-CTNGQTDRSA-N 1 1 402.535 2.228 40 0 HEABMO COc1cc(OC)cc(C(=O)N2CCC3(CO[C@@H](C[N@H+]4CCC[C@H]4CO)C3)CC2)c1 ZINC000585105087 559027518 /nfs/dbraw/zinc/02/75/18/559027518.db2.gz XRJHWGHORJUAQE-GHTZIAJQSA-N 1 1 418.534 2.172 40 0 HEABMO COC(=O)[C@]1(C)C[C@@H]([N@@H+](C)Cc2ccccc2)CCN1C(=O)c1cccn(C)c1=O ZINC000585113248 559031246 /nfs/dbraw/zinc/03/12/46/559031246.db2.gz TWLBDFAUOIGKCB-MBSDFSHPSA-N 1 1 411.502 2.054 40 0 HEABMO CC[N@H+]1CC[C@@]2(C(=O)N3CCOCC3)CCN(C(=O)Nc3ccccc3)CC[C@@H]12 ZINC000096145325 559097247 /nfs/dbraw/zinc/09/72/47/559097247.db2.gz ODAZJYCKYQZFHU-DENIHFKCSA-N 1 1 400.523 2.254 40 0 HEABMO CCN1CC[C@@]2(C[N@@H+](CCOC)CC23CCN(C(=O)c2cccs2)CC3)C1=O ZINC000096262791 559106727 /nfs/dbraw/zinc/10/67/27/559106727.db2.gz LRRXVCLUWAMTIU-OAQYLSRUSA-N 1 1 405.564 2.171 40 0 HEABMO C[N@H+](Cc1ccc(OCCN2CCOCC2)cc1)C[C@@H](O)COc1ccccc1 ZINC000585262586 559111151 /nfs/dbraw/zinc/11/11/51/559111151.db2.gz XGDFXDPKNHLWTC-OAQYLSRUSA-N 1 1 400.519 2.269 40 0 HEABMO O[C@H]1CC[N@@H+](CC2(O)CCCCCC2)C[C@]1(O)COc1cc(F)c(F)c(F)c1 ZINC000585284180 559120793 /nfs/dbraw/zinc/12/07/93/559120793.db2.gz VPAFYYVURAORSD-PXNSSMCTSA-N 1 1 403.441 2.366 40 0 HEABMO C[N@@H+](CCc1ccccc1)C[C@@]1(O)CCN(C(=O)Cc2ccc(Cl)cc2)C[C@@H]1O ZINC000585286141 559121835 /nfs/dbraw/zinc/12/18/35/559121835.db2.gz WIRCKUNECOZUOQ-GMAHTHKFSA-N 1 1 416.949 2.381 40 0 HEABMO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C)CC2)c2ccccc2F)cc1 ZINC000044802742 559173567 /nfs/dbraw/zinc/17/35/67/559173567.db2.gz DBUNOYZDUKGVCI-UHFFFAOYSA-N 1 1 405.495 2.103 40 0 HEABMO CCOCCOc1ccc(C[N@@H+](C)C[C@]2(O)CCCN(c3cnccn3)C2)cc1 ZINC000257308760 559286269 /nfs/dbraw/zinc/28/62/69/559286269.db2.gz TXZLAFHIWDVSLD-JOCHJYFZSA-N 1 1 400.523 2.355 40 0 HEABMO CC[NH+]1CCN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)CC1 ZINC000006325870 560741831 /nfs/dbraw/zinc/74/18/31/560741831.db2.gz JUGAJGSICNHBLJ-UHFFFAOYSA-N 1 1 405.495 2.185 40 0 HEABMO COc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(C(=O)NCc4ccccc4)CC3)C2=O)cc1 ZINC000009288940 560757814 /nfs/dbraw/zinc/75/78/14/560757814.db2.gz SVSWALSFNRXOEA-OAQYLSRUSA-N 1 1 421.497 2.356 40 0 HEABMO CC[NH+]1CCN([C@H](c2nnnn2Cc2ccccc2)c2cc(OC)ccc2OC)CC1 ZINC000019366851 560872854 /nfs/dbraw/zinc/87/28/54/560872854.db2.gz CZOUEQNBXDRLCE-QFIPXVFZSA-N 1 1 422.533 2.466 40 0 HEABMO CC[NH+]1CCN([C@H](c2nnnn2Cc2ccccc2)c2cccc(OC)c2OC)CC1 ZINC000019528044 560874646 /nfs/dbraw/zinc/87/46/46/560874646.db2.gz YPPALKIYVKFANO-NRFANRHFSA-N 1 1 422.533 2.466 40 0 HEABMO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)N3CC[NH+](C)CC3)cc2c1 ZINC000019972937 560877707 /nfs/dbraw/zinc/87/77/07/560877707.db2.gz HVLYTLASTYZRKN-IBGZPJMESA-N 1 1 409.538 2.169 40 0 HEABMO COc1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@]2(C(=O)Nc4ccc(F)cc42)[N@H+]2CCC[C@@H]32)c1 ZINC000012371584 568514832 /nfs/dbraw/zinc/51/48/32/568514832.db2.gz YGCDOUMFPHRBGL-KEXUJGGDSA-N 1 1 421.428 2.266 40 0 HEABMO COc1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@]2(C(=O)Nc4ccc(F)cc42)[N@@H+]2CCC[C@@H]32)c1 ZINC000012371584 568514833 /nfs/dbraw/zinc/51/48/33/568514833.db2.gz YGCDOUMFPHRBGL-KEXUJGGDSA-N 1 1 421.428 2.266 40 0 HEABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)CN(C)S(=O)(=O)c1ccc(OC)cc1 ZINC000260843318 568741920 /nfs/dbraw/zinc/74/19/20/568741920.db2.gz QHGMJRMVYGXTMD-KRWDZBQOSA-N 1 1 411.568 2.087 40 0 HEABMO C[NH+](C)[C@H]1CC2(CCN(C(=O)c3cc(-c4ccc(F)cc4)[nH]n3)CC2)OC[C@]1(C)O ZINC000257250320 568790330 /nfs/dbraw/zinc/79/03/30/568790330.db2.gz JMAZNSYRPQYSNF-FPOVZHCZSA-N 1 1 416.497 2.292 40 0 HEABMO CCc1onc(C)c1-c1cccc([C@H]2CN(C(=O)CC[NH+]3CCOCC3)CCO2)n1 ZINC000257274146 568796685 /nfs/dbraw/zinc/79/66/85/568796685.db2.gz NJTIGZUXXAVULU-HXUWFJFHSA-N 1 1 414.506 2.230 40 0 HEABMO CNC(=O)[C@@]1(c2ccccn2)CCC[N@H+](CC(=O)Nc2ccc(OC(F)F)cc2)C1 ZINC000257332046 568813586 /nfs/dbraw/zinc/81/35/86/568813586.db2.gz XVMVJGFHDOTFRL-NRFANRHFSA-N 1 1 418.444 2.401 40 0 HEABMO CNC(=O)[C@@]1(c2ccccn2)CCC[N@@H+](CC(=O)Nc2ccc(OC(F)F)cc2)C1 ZINC000257332046 568813587 /nfs/dbraw/zinc/81/35/87/568813587.db2.gz XVMVJGFHDOTFRL-NRFANRHFSA-N 1 1 418.444 2.401 40 0 HEABMO CC[C@@H](C)NC(=O)c1nnc2n1CC1(CC[NH+](Cc3nccs3)CC1)COC2 ZINC000306131665 568893958 /nfs/dbraw/zinc/89/39/58/568893958.db2.gz KLPMWYUKWWOTHA-CQSZACIVSA-N 1 1 404.540 2.076 40 0 HEABMO CCn1cc(C[N@@H+]2C[C@H]3Cc4nnc(C(=O)Nc5cccc(F)c5)n4C[C@@H]3C2)cn1 ZINC000306138372 568900447 /nfs/dbraw/zinc/90/04/47/568900447.db2.gz RWBDCQSKOVOPAW-CVEARBPZSA-N 1 1 409.469 2.190 40 0 HEABMO Cn1cncc1C[N@H+]1CC[C@]2(C1)COCc1cnc(N3CCC(F)(F)CC3)nc12 ZINC000306140566 568902313 /nfs/dbraw/zinc/90/23/13/568902313.db2.gz UXMFINSMMISVRA-IBGZPJMESA-N 1 1 404.465 2.120 40 0 HEABMO CC(=O)N[C@H]1CCCC[C@]12C[N@H+](Cc1c(C)n(C)n(-c3ccccc3)c1=O)CCO2 ZINC000306140810 568902629 /nfs/dbraw/zinc/90/26/29/568902629.db2.gz VENNVLBNNMVINH-GMAHTHKFSA-N 1 1 412.534 2.134 40 0 HEABMO CC(=O)N[C@H]1CCCC[C@]12C[N@@H+](Cc1c(C)n(C)n(-c3ccccc3)c1=O)CCO2 ZINC000306140810 568902630 /nfs/dbraw/zinc/90/26/30/568902630.db2.gz VENNVLBNNMVINH-GMAHTHKFSA-N 1 1 412.534 2.134 40 0 HEABMO O=C1N(Cc2cccnc2)CCO[C@@]12C[N@@H+](Cc1ccco1)C[C@@H]2c1cccnc1 ZINC000306142990 568904534 /nfs/dbraw/zinc/90/45/34/568904534.db2.gz XQBGGIKSYJMMEF-FYYLOGMGSA-N 1 1 404.470 2.467 40 0 HEABMO Cn1nccc1[C@@H]1C[N@@H+](CCc2ccccc2)C[C@]12OCCN(CC1CCC1)C2=O ZINC000306144740 568906227 /nfs/dbraw/zinc/90/62/27/568906227.db2.gz ZNNKFNBTELACGS-URXFXBBRSA-N 1 1 408.546 2.460 40 0 HEABMO C[N@@H+](Cc1ccccc1)[C@@H]1[C@@H](CNC(=O)Nc2cccc(Cl)c2)O[C@@H](CO)[C@H]1O ZINC000020465951 575368511 /nfs/dbraw/zinc/36/85/11/575368511.db2.gz CKHLFRKIDNAUNP-IYWMVGAKSA-N 1 1 419.909 2.083 40 0 biogenic,in-vitro HEABMO COc1ccccc1NC(=O)NC[C@H]1O[C@H](Cc2cc(C[NH+](C)C)on2)CC[C@@H]1O ZINC000077262445 291209690 /nfs/dbraw/zinc/20/96/90/291209690.db2.gz CZEWPHYGYVFATA-ZAAXVRCTSA-N 1 1 418.494 2.018 40 0 biogenic,in-vitro HEABMO C[N@@H+]1CCN(C(=O)Cn2cc(C(=O)NC3CCCC3)ccc2=O)[C@@H](c2ccccc2)C1 ZINC000019746303 558266315 /nfs/dbraw/zinc/26/63/15/558266315.db2.gz ROQLGUMSJXGFPV-OAQYLSRUSA-N 1 1 422.529 2.036 40 0 HEABMO C[N@H+]1CCN(C(=O)Cn2cc(C(=O)NC3CCCC3)ccc2=O)[C@@H](c2ccccc2)C1 ZINC000019746303 558266317 /nfs/dbraw/zinc/26/63/17/558266317.db2.gz ROQLGUMSJXGFPV-OAQYLSRUSA-N 1 1 422.529 2.036 40 0 HEABMO O=c1[nH]c2ccc(S(=O)(=O)NC[C@H]3CCC[N@@H+](Cc4ccccc4)C3)cc2[nH]1 ZINC000012239030 558359658 /nfs/dbraw/zinc/35/96/58/558359658.db2.gz SSTLQVKLPHIXDI-MRXNPFEDSA-N 1 1 400.504 2.047 40 0 HEABMO Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1NS(C)(=O)=O ZINC000029214343 558712076 /nfs/dbraw/zinc/71/20/76/558712076.db2.gz OOTFILNJIVRFSQ-UHFFFAOYSA-N 1 1 417.531 2.129 40 0 HEABMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(CN2CCOCC2)cc1 ZINC000038831650 558816931 /nfs/dbraw/zinc/81/69/31/558816931.db2.gz BBFMVXMAKRMQRE-UHFFFAOYSA-N 1 1 409.530 2.281 40 0 HEABMO O=C(c1ccncc1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@H+](Cc1cccnc1)CC2 ZINC000019339381 558871263 /nfs/dbraw/zinc/87/12/63/558871263.db2.gz QRNKPKYPKPAMDW-FQEVSTJZSA-N 1 1 416.485 2.096 40 0 HEABMO O=C(c1ccncc1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](Cc1cccnc1)CC2 ZINC000019339381 558871267 /nfs/dbraw/zinc/87/12/67/558871267.db2.gz QRNKPKYPKPAMDW-FQEVSTJZSA-N 1 1 416.485 2.096 40 0 HEABMO NC(=O)[C@H]1CCC[N@@H+](Cc2c3nccnc3[nH]c2C2CCN(C(=O)C3CCC3)CC2)C1 ZINC000019404238 558884307 /nfs/dbraw/zinc/88/43/07/558884307.db2.gz FLGIFGGADWBSHC-KRWDZBQOSA-N 1 1 424.549 2.161 40 0 HEABMO COc1cc(C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc(OC)c1OC ZINC000056290891 558885612 /nfs/dbraw/zinc/88/56/12/558885612.db2.gz LZOGHUWLMWAXFV-UHFFFAOYSA-N 1 1 413.474 2.352 40 0 HEABMO COc1cc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)C[N@H+](C(C)C)CC3)ccn1 ZINC000019448190 558886919 /nfs/dbraw/zinc/88/69/19/558886919.db2.gz RUVHSWXGTJMTKJ-SFHVURJKSA-N 1 1 411.506 2.307 40 0 HEABMO CC(C)NC(=O)[C@H]1C[C@@H](C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)[N@@H+](C)C1 ZINC000019449768 558888439 /nfs/dbraw/zinc/88/84/39/558888439.db2.gz RBTNXVRBVQECEK-LPHOPBHVSA-N 1 1 411.543 2.071 40 0 HEABMO C[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1cc(=O)[nH]c(N2CC[NH+](C)CC2)n1 ZINC000019458376 558892519 /nfs/dbraw/zinc/89/25/19/558892519.db2.gz JGEANICWMJXCAJ-LLVKDONJSA-N 1 1 410.305 2.320 40 0 HEABMO CCc1nc(N2CCN(C(=O)[C@H](C)N3c4ccccc4O[C@H](C)C3=O)CC2)cc(C)[nH+]1 ZINC000019523122 558904107 /nfs/dbraw/zinc/90/41/07/558904107.db2.gz KQAAZZYVRODMKC-DLBZAZTESA-N 1 1 423.517 2.199 40 0 HEABMO COc1ccc(C[N@H+]2CCC[C@H](c3nc4c(c(=O)[nH]3)CN(C(=O)C3CC3)CC4)C2)cc1 ZINC000019555210 558918134 /nfs/dbraw/zinc/91/81/34/558918134.db2.gz MHHUIOSUSOPUIY-SFHVURJKSA-N 1 1 422.529 2.453 40 0 HEABMO CN(C)C(=O)[C@H]1C[N@@H+](CCOc2ccc(F)cc2)C[C@@]12COc1ccccc1C2=O ZINC000019581374 558936878 /nfs/dbraw/zinc/93/68/78/558936878.db2.gz MSXGSEOEVJUTPV-AUSIDOKSSA-N 1 1 412.461 2.486 40 0 HEABMO CN1CCN(C(=O)C[N@@H+]2C[C@H](c3csnn3)[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000019589749 558940599 /nfs/dbraw/zinc/94/05/99/558940599.db2.gz IZQLYDYEFDECBA-SJORKVTESA-N 1 1 405.955 2.149 40 0 HEABMO CN1CCN(C(=O)C[N@H+]2C[C@H](c3csnn3)[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000019589749 558940602 /nfs/dbraw/zinc/94/06/02/558940602.db2.gz IZQLYDYEFDECBA-SJORKVTESA-N 1 1 405.955 2.149 40 0 HEABMO O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000019660071 558951292 /nfs/dbraw/zinc/95/12/92/558951292.db2.gz TWIRRYVYPVESFF-FQEVSTJZSA-N 1 1 405.564 2.494 40 0 HEABMO COC[C@H](C)NC(=O)C[NH+]1CCC(c2ccc(-c3ccc(C(N)=O)cc3)cn2)CC1 ZINC000019688013 558957494 /nfs/dbraw/zinc/95/74/94/558957494.db2.gz AMZRZEGGUYYMSP-INIZCTEOSA-N 1 1 410.518 2.178 40 0 HEABMO CCCO[C@H]1CCCN(C(=O)C[N@H+]2CC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)C1 ZINC000072373111 558960947 /nfs/dbraw/zinc/96/09/47/558960947.db2.gz QLUOKWVKBBPIPS-OALUTQOASA-N 1 1 416.566 2.177 40 0 HEABMO CNc1nc([C@@H]2CCCN2S(=O)(=O)c2ccc(C)c(F)c2)nc2c1CC[N@H+](C)C2 ZINC000019707284 558969516 /nfs/dbraw/zinc/96/95/16/558969516.db2.gz YUTMOKUFEQLCRI-SFHVURJKSA-N 1 1 419.526 2.480 40 0 HEABMO CNc1nc([C@@H]2CCCN2S(=O)(=O)c2ccc(C)c(F)c2)nc2c1CC[N@@H+](C)C2 ZINC000019707284 558969517 /nfs/dbraw/zinc/96/95/17/558969517.db2.gz YUTMOKUFEQLCRI-SFHVURJKSA-N 1 1 419.526 2.480 40 0 HEABMO COc1ccccc1C[N@H+]1CCc2nc([C@H]3CCN(C(=O)[C@H]4C[C@H]4C)C3)[nH]c(=O)c2C1 ZINC000072399138 558976879 /nfs/dbraw/zinc/97/68/79/558976879.db2.gz UBJARVAUGANOPS-NJAFHUGGSA-N 1 1 422.529 2.309 40 0 HEABMO CC[N@H+]1C[C@@H](COCc2ccccn2)[C@]2(CCN(C(=O)c3nnsc3C)C2)C1 ZINC000585103145 559026580 /nfs/dbraw/zinc/02/65/80/559026580.db2.gz RWAKBQDUSYTSIE-OXJNMPFZSA-N 1 1 401.536 2.242 40 0 HEABMO COc1cc(Cl)ccc1C(=O)N1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](CC3CC3)C[C@@H]12 ZINC000585106141 559028440 /nfs/dbraw/zinc/02/84/40/559028440.db2.gz RFGLEKXJTPXCJJ-MSOLQXFVSA-N 1 1 417.937 2.411 40 0 HEABMO CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000585106295 559028700 /nfs/dbraw/zinc/02/87/00/559028700.db2.gz OUOSANMQVNWOLL-UHOSZYNNSA-N 1 1 405.564 2.076 40 0 HEABMO Cc1noc(CC(=O)N2CCO[C@H](c3[nH+]cn4cc(-c5ccncc5)ccc34)C2)n1 ZINC000585113149 559030918 /nfs/dbraw/zinc/03/09/18/559030918.db2.gz OSWZSJVLDDHVTL-SFHVURJKSA-N 1 1 404.430 2.230 40 0 HEABMO CCN1C(=O)[C@H]2C[N@@H+](CCOC)C[C@H]2C12CCN(C(=O)Nc1ccccc1)CC2 ZINC000096262298 559106411 /nfs/dbraw/zinc/10/64/11/559106411.db2.gz MIAWIMITUNBROE-RBUKOAKNSA-N 1 1 400.523 2.110 40 0 HEABMO CN1CCCN(C(=O)c2ccc3nnc([C@H]4CC[N@H+](Cc5ccccc5)C4)n3c2)CC1 ZINC000096267523 559108252 /nfs/dbraw/zinc/10/82/52/559108252.db2.gz ASRIAGHNMDSSGH-FQEVSTJZSA-N 1 1 418.545 2.497 40 0 HEABMO CN1CCCN(C(=O)c2ccc3nnc([C@H]4CC[N@@H+](Cc5ccccc5)C4)n3c2)CC1 ZINC000096267523 559108254 /nfs/dbraw/zinc/10/82/54/559108254.db2.gz ASRIAGHNMDSSGH-FQEVSTJZSA-N 1 1 418.545 2.497 40 0 HEABMO CCOc1ccccc1OC[C@@H](O)C[N@@H+](C)Cc1ccc(OCCO)c(OC)c1 ZINC000585269598 559115210 /nfs/dbraw/zinc/11/52/10/559115210.db2.gz AKLYZSDYZRHMOK-SFHVURJKSA-N 1 1 405.491 2.337 40 0 HEABMO NC(=O)CN1CCCC[C@H]2C[N@H+]([C@H]3CCC[C@@H](Oc4ccccc4)[C@@H]3O)CC[C@H]21 ZINC000585288684 559123271 /nfs/dbraw/zinc/12/32/71/559123271.db2.gz HMEZOSXQURQSJC-MNSFUXDKSA-N 1 1 401.551 2.009 40 0 HEABMO CC(C)[N@@H+]1C[C@@H]2C[C@H]1C(=O)NC[C@@H]1CCC[C@@H](CCOc3ccccc3C(=O)N2)O1 ZINC000514287693 559233679 /nfs/dbraw/zinc/23/36/79/559233679.db2.gz ZBWYZEOFBHMOGW-JPLJXNOCSA-N 1 1 415.534 2.104 40 0 HEABMO CC(C)[N@H+]1C[C@@H]2C[C@H]1C(=O)NC[C@@H]1CCC[C@@H](CCOc3ccccc3C(=O)N2)O1 ZINC000514287693 559233681 /nfs/dbraw/zinc/23/36/81/559233681.db2.gz ZBWYZEOFBHMOGW-JPLJXNOCSA-N 1 1 415.534 2.104 40 0 HEABMO COCCOc1cc(C[N@@H+](C)C[C@@]2(O)CCN(c3ccccn3)C2)ccc1OC ZINC000257295499 559285733 /nfs/dbraw/zinc/28/57/33/559285733.db2.gz QYOPSYJBOYNZMQ-QFIPXVFZSA-N 1 1 401.507 2.189 40 0 HEABMO O=C(C[NH+]1CCC(NC(=O)c2ccc(F)cc2)CC1)NCc1ccc2c(c1)OCO2 ZINC000004910146 560618268 /nfs/dbraw/zinc/61/82/68/560618268.db2.gz UWQKLNQWVLTQSG-UHFFFAOYSA-N 1 1 413.449 2.065 40 0 HEABMO Cc1cc(C)c(S(=O)(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)c(C)c1 ZINC000409110533 560677845 /nfs/dbraw/zinc/67/78/45/560677845.db2.gz DQDCJNSMXYVNCP-UHFFFAOYSA-N 1 1 415.559 2.235 40 0 HEABMO CC[NH+]1CCN(C(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)CC1 ZINC000006953432 560747071 /nfs/dbraw/zinc/74/70/71/560747071.db2.gz RKPKYDAGIPZDTK-UHFFFAOYSA-N 1 1 401.532 2.431 40 0 HEABMO C[NH+]1CCN(N2CN=C3N[C@H]([C@H]4CC=CCC4)n4c5ccccc5nc4N3C2)CC1 ZINC000019171498 560872418 /nfs/dbraw/zinc/87/24/18/560872418.db2.gz ZGZGYXPDSCPVNJ-PXNSSMCTSA-N 1 1 406.538 2.050 40 0 HEABMO COc1ccc(CCn2nnnc2[C@H](CC(C)C)N2CC[NH+](C)CC2)cc1OC ZINC000019446869 560873008 /nfs/dbraw/zinc/87/30/08/560873008.db2.gz ATBBXOSTWCOGLP-SFHVURJKSA-N 1 1 402.543 2.268 40 0 HEABMO COc1ccc(OC)c([C@@H](c2nnnn2Cc2ccccc2)N2CC[NH+](C)CC2)c1 ZINC000019589826 560874397 /nfs/dbraw/zinc/87/43/97/560874397.db2.gz APWAFOGSOIGQFU-NRFANRHFSA-N 1 1 408.506 2.075 40 0 HEABMO COCCn1nnnc1[C@H](c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019593957 560875114 /nfs/dbraw/zinc/87/51/14/560875114.db2.gz WXJNIZKPRZSGTG-NRFANRHFSA-N 1 1 410.497 2.366 40 0 HEABMO O=C(NCCN1CCOCC1)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000219422326 568491664 /nfs/dbraw/zinc/49/16/64/568491664.db2.gz YOUZIJKQQMCYEO-UHFFFAOYSA-N 1 1 410.356 2.110 40 0 HEABMO CC[NH+]1CCN(C(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3F)c2)CC1 ZINC000224157622 568571893 /nfs/dbraw/zinc/57/18/93/568571893.db2.gz BSLLSSKNUPWUDX-UHFFFAOYSA-N 1 1 405.495 2.429 40 0 HEABMO CC[NH+]1CCN(C(=O)c2cccc(S(=O)(=O)N(C)c3ccc(F)cc3)c2)CC1 ZINC000224172598 568572415 /nfs/dbraw/zinc/57/24/15/568572415.db2.gz BDGJHMUPXUZOKI-UHFFFAOYSA-N 1 1 405.495 2.429 40 0 HEABMO Cc1cc(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)ccc1NS(C)(=O)=O ZINC000224562092 568585300 /nfs/dbraw/zinc/58/53/00/568585300.db2.gz IFTFRLHECKVFQB-UHFFFAOYSA-N 1 1 417.531 2.129 40 0 HEABMO CC[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1 ZINC000225842985 568679778 /nfs/dbraw/zinc/67/97/78/568679778.db2.gz DFWQQHQSPJAEJC-CYBMUJFWSA-N 1 1 417.601 2.456 40 0 HEABMO CC[C@@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1 ZINC000225842985 568679780 /nfs/dbraw/zinc/67/97/80/568679780.db2.gz DFWQQHQSPJAEJC-CYBMUJFWSA-N 1 1 417.601 2.456 40 0 HEABMO O=C(c1ccc2n[nH]nc2c1)N1CCC[C@@](O)(C[N@H+]2CCc3ccccc3C2)CC1 ZINC000257259596 568792694 /nfs/dbraw/zinc/79/26/94/568792694.db2.gz KZASYWKRJFSSOP-QHCPKHFHSA-N 1 1 405.502 2.373 40 0 HEABMO O=C(c1ccc2[nH]nnc2c1)N1CCC[C@@](O)(C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000257259596 568792695 /nfs/dbraw/zinc/79/26/95/568792695.db2.gz KZASYWKRJFSSOP-QHCPKHFHSA-N 1 1 405.502 2.373 40 0 HEABMO O=C(c1ccc2[nH]nnc2c1)N1CCC[C@@](O)(C[N@H+]2CCc3ccccc3C2)CC1 ZINC000257259596 568792696 /nfs/dbraw/zinc/79/26/96/568792696.db2.gz KZASYWKRJFSSOP-QHCPKHFHSA-N 1 1 405.502 2.373 40 0 HEABMO COc1ccc(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccc(CNC(C)=O)cc2)cc1 ZINC000257261025 568793055 /nfs/dbraw/zinc/79/30/55/568793055.db2.gz LFLMWHWCPKWNEF-PKTZIBPZSA-N 1 1 409.530 2.335 40 0 HEABMO COc1ccc(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2cccc(CNC(C)=O)c2)cc1 ZINC000257277344 568797737 /nfs/dbraw/zinc/79/77/37/568797737.db2.gz NXPOHZWMTLTCOG-PKTZIBPZSA-N 1 1 409.530 2.335 40 0 HEABMO CC[N@@H+](Cc1ccncc1)C[C@]1(O)CCCN(C(=O)c2sc(N)nc2C)CC1 ZINC000257338516 568815603 /nfs/dbraw/zinc/81/56/03/568815603.db2.gz YXUJNMZNGHJTEM-FQEVSTJZSA-N 1 1 403.552 2.308 40 0 HEABMO C[NH+](C)CCOc1cccc2c1OC(C)(C)[C@@H]1C[C@@H]3CN(CC(N)=O)CC[C@H]3O[C@@H]21 ZINC000257342246 568816864 /nfs/dbraw/zinc/81/68/64/568816864.db2.gz ZNTJLMKBQDQGGF-FLTJSSMESA-N 1 1 417.550 2.051 40 0 HEABMO O=C1N(Cc2ccncc2)CCO[C@@]12C[N@@H+](Cc1ccncc1)C[C@H]2c1cccnc1 ZINC000306123033 568886161 /nfs/dbraw/zinc/88/61/61/568886161.db2.gz ACWVAYMRIVOQMH-LADGPHEKSA-N 1 1 415.497 2.269 40 0 HEABMO COCCN1CC[C@@]2(C[N@@H+](Cc3nccs3)C[C@H]2c2cn(C(C)C)cn2)C1=O ZINC000306128327 568891250 /nfs/dbraw/zinc/89/12/50/568891250.db2.gz GXJPQWJAFYEERE-JXFKEZNVSA-N 1 1 403.552 2.385 40 0 HEABMO O=C1N(CC2CC2)CCO[C@@]12C[N@@H+](Cc1ccc3c(c1)OCO3)C[C@@H]2c1cccnc1 ZINC000306130078 568892528 /nfs/dbraw/zinc/89/25/28/568892528.db2.gz IVVUCJFNOPQVCL-HYBUGGRVSA-N 1 1 421.497 2.417 40 0 HEABMO COc1ccc(NC(=O)c2nnc3n2C[C@H]2C[N@H+](Cc4cccnc4)C[C@H]2C3)cc1 ZINC000306130059 568892569 /nfs/dbraw/zinc/89/25/69/568892569.db2.gz IVMIAHAQDVTOES-IAGOWNOFSA-N 1 1 404.474 2.238 40 0 HEABMO CN1CC[N@@H+](CC2CC2)C[C@H]1c1nnc2ccc(C(=O)NCCc3ccccc3)cn21 ZINC000306140659 568902431 /nfs/dbraw/zinc/90/24/31/568902431.db2.gz UZVMQVVDRNKCFV-NRFANRHFSA-N 1 1 418.545 2.400 40 0 HEABMO O=C1N(Cc2ccncc2)CCO[C@]12C[N@@H+](Cc1ccccn1)C[C@@H]2c1cccnc1 ZINC000306141370 568902959 /nfs/dbraw/zinc/90/29/59/568902959.db2.gz VTDSFOBHQAYXQL-VWNXMTODSA-N 1 1 415.497 2.269 40 0 HEABMO Cc1ccsc1C[N@H+]1CCN2CCn3c(C(=O)NC4CCCC4)nnc3[C@H]2C1 ZINC000306144531 568905870 /nfs/dbraw/zinc/90/58/70/568905870.db2.gz ZIAYZCVTSWQDAB-MRXNPFEDSA-N 1 1 400.552 2.193 40 0 HEABMO COc1ccc(N2C[C@@H](C(=O)NC[C@H]3CCC[N@H+]4CCCC[C@H]34)CC2=O)c(OC)c1 ZINC000225416232 569284854 /nfs/dbraw/zinc/28/48/54/569284854.db2.gz ZRKBYTNENHBEQG-ZIFCJYIRSA-N 1 1 415.534 2.437 40 0 HEABMO C[NH+](C)CCN(CC1(c2ccc(Cl)cc2Cl)CC1)[C@@H]1CS(=O)(=O)C[C@H]1O ZINC000248039285 569316122 /nfs/dbraw/zinc/31/61/22/569316122.db2.gz VHNRYGFZHVFUCZ-IAGOWNOFSA-N 1 1 421.390 2.047 40 0 HEABMO CCOc1cc(C[N@@H+]2C[C@@H]3ON=C(c4ccc(C)cc4)[C@H]3C2)ccc1OCC(N)=O ZINC000248091556 569316230 /nfs/dbraw/zinc/31/62/30/569316230.db2.gz MPSLNPDDWIQUFU-RXVVDRJESA-N 1 1 409.486 2.493 40 0 HEABMO CCOc1cc(C[N@H+]2C[C@@H]3ON=C(c4ccc(C)cc4)[C@H]3C2)ccc1OCC(N)=O ZINC000248091556 569316231 /nfs/dbraw/zinc/31/62/31/569316231.db2.gz MPSLNPDDWIQUFU-RXVVDRJESA-N 1 1 409.486 2.493 40 0 HEABMO CC[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)CC1 ZINC000006953206 569335625 /nfs/dbraw/zinc/33/56/25/569335625.db2.gz RRMJSKUPSZXRLJ-UHFFFAOYSA-N 1 1 407.580 2.177 40 0 HEABMO COc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000009109538 569391609 /nfs/dbraw/zinc/39/16/09/569391609.db2.gz OASZSDRWHDSHDS-GBPOLFSSSA-N 1 1 421.428 2.266 40 0 HEABMO COc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000009109538 569391610 /nfs/dbraw/zinc/39/16/10/569391610.db2.gz OASZSDRWHDSHDS-GBPOLFSSSA-N 1 1 421.428 2.266 40 0 HEABMO C[NH2+]Cc1nc(C)c2c(n1)N(CCc1cn(C(=O)COC)c3ccccc13)C(=O)CC2 ZINC000019703435 569428695 /nfs/dbraw/zinc/42/86/95/569428695.db2.gz LPSWURBRZYCXLH-UHFFFAOYSA-N 1 1 421.501 2.268 40 0 HEABMO COC(=O)CC[C@H]1CNC(=O)[C@@H]2[C@@H](CCN2Cc2ccc(C(F)(F)F)cc2)[N@H+]1C ZINC000035442353 291205899 /nfs/dbraw/zinc/20/58/99/291205899.db2.gz ZRCVRUVEOWFYFY-JZXOWHBKSA-N 1 1 413.440 2.032 40 0 biogenic,in-vitro HEABMO C[N@@H+]1CCN(C(=O)Cn2cc(C(=O)NC3CCCC3)ccc2=O)[C@H](c2ccccc2)C1 ZINC000019746304 558266291 /nfs/dbraw/zinc/26/62/91/558266291.db2.gz ROQLGUMSJXGFPV-NRFANRHFSA-N 1 1 422.529 2.036 40 0 HEABMO C[N@H+]1CCN(C(=O)Cn2cc(C(=O)NC3CCCC3)ccc2=O)[C@H](c2ccccc2)C1 ZINC000019746304 558266294 /nfs/dbraw/zinc/26/62/94/558266294.db2.gz ROQLGUMSJXGFPV-NRFANRHFSA-N 1 1 422.529 2.036 40 0 HEABMO CN(C)c1ncccc1C[N@H+]1CC[C@H](c2cc(C(=O)NCCO)c3ccccc3n2)C1 ZINC000019761760 558276811 /nfs/dbraw/zinc/27/68/11/558276811.db2.gz GCDGBTZAGLUWSL-KRWDZBQOSA-N 1 1 419.529 2.407 40 0 HEABMO Cn1c2ccc(S(=O)(=O)NC[C@@H](c3ccc(F)cc3)[NH+]3CCCC3)cc2oc1=O ZINC000012239294 558359895 /nfs/dbraw/zinc/35/98/95/558359895.db2.gz HXVZWWYHRHHWCS-SFHVURJKSA-N 1 1 419.478 2.386 40 0 HEABMO CCOC(=O)N1CC[NH+](C[C@H]2C(=O)O[C@@H]3CC4=CCC[C@H](C)[C@@]4(C)[C@@H](O)[C@@H]32)CC1 ZINC000020411993 558360946 /nfs/dbraw/zinc/36/09/46/558360946.db2.gz PGYFRFCVPWSCKX-FGRWOAKISA-N 1 1 406.523 2.046 40 0 HEABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000020484744 558376200 /nfs/dbraw/zinc/37/62/00/558376200.db2.gz JCPPFQUUPQTLED-UHFFFAOYSA-N 1 1 416.478 2.402 40 0 HEABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000022533601 558497658 /nfs/dbraw/zinc/49/76/58/558497658.db2.gz NPDZAMDWNZEMOB-UHFFFAOYSA-N 1 1 416.478 2.402 40 0 HEABMO COc1cccc(OCC[NH+]2CCN(Cc3cn(CC(N)=O)c4ccccc34)CC2)c1 ZINC000022581837 558499958 /nfs/dbraw/zinc/49/99/58/558499958.db2.gz BPAJERQDOZTRKZ-UHFFFAOYSA-N 1 1 422.529 2.332 40 0 HEABMO COC(=O)c1ccc(C)c(S(=O)(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000029973112 558725081 /nfs/dbraw/zinc/72/50/81/558725081.db2.gz XVXOWUCHLZUJIG-UHFFFAOYSA-N 1 1 418.515 2.092 40 0 HEABMO O=C(C[C@@H]1C=CCC1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@H+](C1CCOCC1)CC2 ZINC000019014480 558836540 /nfs/dbraw/zinc/83/65/40/558836540.db2.gz PJHRBTUYFGMKHG-OXQOHEQNSA-N 1 1 412.534 2.327 40 0 HEABMO Cc1ccc(C2(CNC(=O)C[C@H]3C(=O)NCC[N@H+]3C3CCCC3)CCOCC2)cc1 ZINC000019208655 558847640 /nfs/dbraw/zinc/84/76/40/558847640.db2.gz IONCGSMCOMBKEW-NRFANRHFSA-N 1 1 413.562 2.293 40 0 HEABMO COCCc1ncc(C[N@H+]2C[C@@H](c3cccc(C)n3)[C@]3(C2)CCCCC(=O)N3)cn1 ZINC000019236391 558855548 /nfs/dbraw/zinc/85/55/48/558855548.db2.gz LNFJDFRAURPMIF-WMZHIEFXSA-N 1 1 409.534 2.397 40 0 HEABMO O=C(NCCC[NH+]1CCOCC1)c1cc(-c2cccnc2)c(N2CCOCC2)s1 ZINC000019340591 558871662 /nfs/dbraw/zinc/87/16/62/558871662.db2.gz PTRDWTKGLYECAS-UHFFFAOYSA-N 1 1 416.547 2.099 40 0 HEABMO O=C(c1cccs1)N1CCc2nc([C@H]3CCC[N@H+]3C3CCOCC3)[nH]c(=O)c2C1 ZINC000019342830 558872181 /nfs/dbraw/zinc/87/21/81/558872181.db2.gz FDLWTHFDXGATGG-QGZVFWFLSA-N 1 1 414.531 2.346 40 0 HEABMO O=C(Cn1cccn1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@H+](C1CCCCC1)CC2 ZINC000019406042 558884828 /nfs/dbraw/zinc/88/48/28/558884828.db2.gz WTEYBRLYVPQACU-HXUWFJFHSA-N 1 1 424.549 2.411 40 0 HEABMO CC(C)NC(=O)[C@H]1C[N@@H+](Cc2cccs2)C[C@@H]1c1ccnc(N2CCOCC2)n1 ZINC000019450174 558888617 /nfs/dbraw/zinc/88/86/17/558888617.db2.gz XDEXGQALJQJWOC-ROUUACIJSA-N 1 1 415.563 2.115 40 0 HEABMO COc1ccccc1C[N@H+]1CCc2nc([C@H]3CCN(C(=O)[C@@H]4C[C@@H]4C)C3)[nH]c(=O)c2C1 ZINC000019462762 558894144 /nfs/dbraw/zinc/89/41/44/558894144.db2.gz UBJARVAUGANOPS-RYQLBKOJSA-N 1 1 422.529 2.309 40 0 HEABMO C[C@H]1CCC[N@@H+](CC(C)(C)NC(=O)c2cc(C3CC3)n([C@@H]3CCS(=O)(=O)C3)n2)C1 ZINC000019496539 558895409 /nfs/dbraw/zinc/89/54/09/558895409.db2.gz SICLQQZOPMUEEB-DOTOQJQBSA-N 1 1 422.595 2.360 40 0 HEABMO CC1CC[NH+](CC(=O)NC2CCN(Cc3cc(-c4ccccn4)nn3C)CC2)CC1 ZINC000019496883 558895695 /nfs/dbraw/zinc/89/56/95/558895695.db2.gz GGBXNUJBNLOXMJ-UHFFFAOYSA-N 1 1 410.566 2.295 40 0 HEABMO C[C@@H]1CN(C(=O)C[N@@H+]2C[C@H](c3csnn3)[C@@H](c3ccc(F)cc3)C2)C[C@@H](C)O1 ZINC000019497244 558896229 /nfs/dbraw/zinc/89/62/29/558896229.db2.gz KJXMCRCETQORSC-DTDBQYNISA-N 1 1 404.511 2.496 40 0 HEABMO C[C@@H]1CN(C(=O)C[N@H+]2C[C@H](c3csnn3)[C@@H](c3ccc(F)cc3)C2)C[C@@H](C)O1 ZINC000019497244 558896230 /nfs/dbraw/zinc/89/62/30/558896230.db2.gz KJXMCRCETQORSC-DTDBQYNISA-N 1 1 404.511 2.496 40 0 HEABMO COc1ccccc1C[N@@H+]1CCc2c(=O)[nH]c([C@H]3CCN(C(=O)C4CC4)C3)nc2C1 ZINC000019570667 558929400 /nfs/dbraw/zinc/92/94/00/558929400.db2.gz RHLMTFCEBDASMN-KRWDZBQOSA-N 1 1 408.502 2.063 40 0 HEABMO COc1ccccc1C[N@H+]1CCc2c(=O)[nH]c([C@H]3CCN(C(=O)C4CC4)C3)nc2C1 ZINC000019570667 558929401 /nfs/dbraw/zinc/92/94/01/558929401.db2.gz RHLMTFCEBDASMN-KRWDZBQOSA-N 1 1 408.502 2.063 40 0 HEABMO CCN(CC)C(=O)[C@H]1C[N@@H+](Cc2ccncc2)C[C@@]12CCc1ccccc1C(=O)N2 ZINC000072334368 558935378 /nfs/dbraw/zinc/93/53/78/558935378.db2.gz IENYSLKPAWCDKC-QPPBQGQZSA-N 1 1 406.530 2.497 40 0 HEABMO C[C@H](c1ccc(F)cc1)[N@H+]1C[C@H](C(=O)N(C)C)[C@@]2(C1)COc1ccccc1C(=O)N2 ZINC000072334347 558935432 /nfs/dbraw/zinc/93/54/32/558935432.db2.gz CBUXAXLAIYBTRO-NFHUAXAMSA-N 1 1 411.477 2.468 40 0 HEABMO CCCc1nn(CC(=O)NC[C@H]2CCC[N@H+]2CC)c(=O)c2cc3ccsc3n21 ZINC000072335267 558936151 /nfs/dbraw/zinc/93/61/51/558936151.db2.gz QMMCXOVHOOJYIW-OAHLLOKOSA-N 1 1 401.536 2.264 40 0 HEABMO COC(=O)[C@]1(CCN2CCOCC2)C(=O)C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cc1 ZINC000072340196 558938915 /nfs/dbraw/zinc/93/89/15/558938915.db2.gz PLUCSWSEINOFSF-DXIQSLLYSA-N 1 1 404.482 2.013 40 0 HEABMO COC(=O)[C@]1(CC(=O)N2CCCC2)C(=O)C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cc1 ZINC000072340225 558939140 /nfs/dbraw/zinc/93/91/40/558939140.db2.gz RKJUGOOXKZJATC-FGSXEWAUSA-N 1 1 402.466 2.303 40 0 HEABMO COC(=O)[C@]1(CC(=O)N2CCCC2)C(=O)C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cc1 ZINC000072340225 558939141 /nfs/dbraw/zinc/93/91/41/558939141.db2.gz RKJUGOOXKZJATC-FGSXEWAUSA-N 1 1 402.466 2.303 40 0 HEABMO C[N@H+]1CCc2nc([C@@H]3CCCN(C(=O)COc4cccc(F)c4)C3)[nH]c(=O)c2C1 ZINC000019590245 558940956 /nfs/dbraw/zinc/94/09/56/558940956.db2.gz GSQZYCWWFSZOBN-CQSZACIVSA-N 1 1 400.454 2.094 40 0 HEABMO C[C@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccc4nccnc4c2)C3)C[C@H](C)O1 ZINC000072347312 558944224 /nfs/dbraw/zinc/94/42/24/558944224.db2.gz NJBMACVVIPFHMH-GJZGRUSLSA-N 1 1 406.490 2.297 40 0 HEABMO C[C@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccc4nccnc4c2)C3)C[C@H](C)O1 ZINC000072347312 558944226 /nfs/dbraw/zinc/94/42/26/558944226.db2.gz NJBMACVVIPFHMH-GJZGRUSLSA-N 1 1 406.490 2.297 40 0 HEABMO CNc1nc([C@@H]2CCC[N@@H+]2C)nc2c1CCN(S(=O)(=O)c1ccc(C)c(F)c1)C2 ZINC000019707290 558969657 /nfs/dbraw/zinc/96/96/57/558969657.db2.gz KBRBCAJZVCOWNY-SFHVURJKSA-N 1 1 419.526 2.480 40 0 HEABMO CNc1nc([C@@H]2CCC[N@H+]2C)nc2c1CCN(S(=O)(=O)c1ccc(C)c(F)c1)C2 ZINC000019707290 558969659 /nfs/dbraw/zinc/96/96/59/558969659.db2.gz KBRBCAJZVCOWNY-SFHVURJKSA-N 1 1 419.526 2.480 40 0 HEABMO Cc1cn2c(ncc(C(=O)N[C@H](CC[NH+]3CCOCC3)c3ccccc3)c2=O)s1 ZINC000019717139 558979556 /nfs/dbraw/zinc/97/95/56/558979556.db2.gz GBDKLJJVPGUVKY-GOSISDBHSA-N 1 1 412.515 2.258 40 0 HEABMO COC[C@@H]1CC2(C[N@H+]1Cc1cccnc1)CCN(C(=O)c1cc(OC)no1)CC2 ZINC000585103851 559025754 /nfs/dbraw/zinc/02/57/54/559025754.db2.gz RRESNEMUPCHAAZ-KRWDZBQOSA-N 1 1 400.479 2.222 40 0 HEABMO Cn1cc(C(=O)N2CC[C@]3(C2)C[N@@H+](C)C[C@H]3COCc2ccccn2)c(C(F)F)n1 ZINC000585102670 559026304 /nfs/dbraw/zinc/02/63/04/559026304.db2.gz FQDKUJYBIKAQRB-YCRPNKLZSA-N 1 1 419.476 2.363 40 0 HEABMO CN(C)c1ccc(CC(=O)N2CCC3(CO[C@@H](C[N@H+]4CCC[C@H]4CO)C3)CC2)cc1 ZINC000585103056 559026418 /nfs/dbraw/zinc/02/64/18/559026418.db2.gz BVRTUHCBJUQJPG-FCHUYYIVSA-N 1 1 415.578 2.150 40 0 HEABMO COc1cc(OC)cc(C(=O)N2CCC3(CO[C@@H](C[NH+]4CC(C)(OC)C4)C3)CC2)c1 ZINC000585104269 559026993 /nfs/dbraw/zinc/02/69/93/559026993.db2.gz OWYUWXLSCVPHHF-HXUWFJFHSA-N 1 1 418.534 2.436 40 0 HEABMO O=C(Cc1ccccc1Cl)N1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](CC3CC3)C[C@@H]12 ZINC000585106166 559028540 /nfs/dbraw/zinc/02/85/40/559028540.db2.gz UAWWYBLZJJFMFB-MSOLQXFVSA-N 1 1 401.938 2.332 40 0 HEABMO Cc1nc(C(=O)N2CCC3(CC2)NC(=O)[C@@H]2C[N@@H+](CC4CCCC4)C[C@@H]23)cs1 ZINC000585106292 559028690 /nfs/dbraw/zinc/02/86/90/559028690.db2.gz OQXLCWKBVHRRED-SJORKVTESA-N 1 1 402.564 2.294 40 0 HEABMO COc1ccc(-c2ccc3c([C@H]4CN(C(=O)c5ncn(C)n5)CCO4)[nH+]cn3c2)cc1 ZINC000585113179 559031122 /nfs/dbraw/zinc/03/11/22/559031122.db2.gz XIBSHOAXYLXDOO-LJQANCHMSA-N 1 1 418.457 2.352 40 0 HEABMO CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCN1CC(=O)Nc1cccc2c1CCCC2 ZINC000585183501 559070285 /nfs/dbraw/zinc/07/02/85/559070285.db2.gz QLBANPBJDKANHY-HSZRJFAPSA-N 1 1 420.557 2.436 40 0 HEABMO CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCN1CC(=O)Nc1cccc2c1CCCC2 ZINC000585183501 559070286 /nfs/dbraw/zinc/07/02/86/559070286.db2.gz QLBANPBJDKANHY-HSZRJFAPSA-N 1 1 420.557 2.436 40 0 HEABMO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(C(=O)Nc3ccc(Cl)cc3)CC2)C1 ZINC000096239865 559103527 /nfs/dbraw/zinc/10/35/27/559103527.db2.gz ASJGHUXXQPDPOT-UHFFFAOYSA-N 1 1 408.930 2.375 40 0 HEABMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(=O)Nc3ccc(Cl)cc3)CC2)C1 ZINC000096239865 559103529 /nfs/dbraw/zinc/10/35/29/559103529.db2.gz ASJGHUXXQPDPOT-UHFFFAOYSA-N 1 1 408.930 2.375 40 0 HEABMO CCc1ccc(NC(=O)N2CCC3(CC2)[C@@H]2C[N@@H+](CCOC)C[C@@H]2C(=O)N3C)cc1 ZINC000096262226 559106356 /nfs/dbraw/zinc/10/63/56/559106356.db2.gz FKUBAWBSQNCFBK-VQTJNVASSA-N 1 1 414.550 2.282 40 0 HEABMO CCN1CC[C@@]2(C[N@@H+](CCOC)CC23CCN(C(=O)c2cccc(C)c2)CC3)C1=O ZINC000096262799 559106717 /nfs/dbraw/zinc/10/67/17/559106717.db2.gz VQRKKERRYJCVJZ-XMMPIXPASA-N 1 1 413.562 2.418 40 0 HEABMO C[N@H+](Cc1ccc(OCCN2CCOCC2)cc1)C[C@H](O)COc1ccccc1 ZINC000585262582 559111192 /nfs/dbraw/zinc/11/11/92/559111192.db2.gz XGDFXDPKNHLWTC-NRFANRHFSA-N 1 1 400.519 2.269 40 0 HEABMO OC[C@@H]1[C@@H](O)[C@@H](O)[C@H](Cc2ccccc2)[N@H+]1Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000585294729 559137623 /nfs/dbraw/zinc/13/76/23/559137623.db2.gz IIVVMGMHNZACPQ-LNRXMEIDSA-N 1 1 413.905 2.035 40 0 HEABMO COc1ccc(CN2CC3(C2)C[N@@H+](CCc2ccccc2)C[C@@H]2C[C@@H](O)CN23)cc1 ZINC000514289514 560032494 /nfs/dbraw/zinc/03/24/94/560032494.db2.gz MZPKXMPKFSUIOE-XZOQPEGZSA-N 1 1 407.558 2.243 40 0 biogenic,in-vitro HEABMO COCCn1nnnc1[C@H](c1ccc(OC)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019593976 560875084 /nfs/dbraw/zinc/87/50/84/560875084.db2.gz KGIBUHUCKAWCGP-QFIPXVFZSA-N 1 1 422.533 2.235 40 0 HEABMO COCCn1nnnc1[C@@H](c1ccc(OC)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019593977 560875148 /nfs/dbraw/zinc/87/51/48/560875148.db2.gz KGIBUHUCKAWCGP-JOCHJYFZSA-N 1 1 422.533 2.235 40 0 HEABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)cc1 ZINC000216186835 568463521 /nfs/dbraw/zinc/46/35/21/568463521.db2.gz LDFQEBNZHDLLKM-UHFFFAOYSA-N 1 1 416.478 2.402 40 0 HEABMO CS(=O)(=O)N1CCC[C@@H](C(=O)NCCCNc2cc[nH+]c3cc(Cl)ccc23)C1 ZINC000222559806 568518431 /nfs/dbraw/zinc/51/84/31/568518431.db2.gz FHYZQRGURAVGEW-CQSZACIVSA-N 1 1 424.954 2.478 40 0 HEABMO CS(=O)(=O)N[C@@H](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000225947152 568688192 /nfs/dbraw/zinc/68/81/92/568688192.db2.gz PDJUBBYXLPCDSQ-FQEVSTJZSA-N 1 1 419.522 2.151 40 0 HEABMO C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCC[N@H+]1CCC[C@H](C)C1 ZINC000260793509 568739425 /nfs/dbraw/zinc/73/94/25/568739425.db2.gz KMWJQHMSMKTWAJ-DLBZAZTESA-N 1 1 411.568 2.088 40 0 HEABMO C[N@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)Cn1cccnc1=O)[C@@H]2Cc1ccccc1 ZINC000257206895 568778125 /nfs/dbraw/zinc/77/81/25/568778125.db2.gz BFJDMYRBTGMUMX-ZTGMJEERSA-N 1 1 406.530 2.328 40 0 HEABMO C[N@H+]1[C@H](Cc2ccccc2)C[C@@]2(C)[C@@H]1CCCCCN2C(=O)CN1C(=O)CNC1=O ZINC000257263413 568793714 /nfs/dbraw/zinc/79/37/14/568793714.db2.gz LPVCYFYDHWLIFV-MSYCTHLASA-N 1 1 412.534 2.015 40 0 HEABMO NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCN1CC(=O)Nc1ccccc1C(F)(F)F ZINC000257292918 568802445 /nfs/dbraw/zinc/80/24/45/568802445.db2.gz QNLSEVQXYIENQA-SFHVURJKSA-N 1 1 420.435 2.316 40 0 HEABMO NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCN1CC(=O)Nc1ccccc1C(F)(F)F ZINC000257292918 568802446 /nfs/dbraw/zinc/80/24/46/568802446.db2.gz QNLSEVQXYIENQA-SFHVURJKSA-N 1 1 420.435 2.316 40 0 HEABMO Cc1ccc(C[N@@H+]2C[C@@H]3c4nn(Cc5ccc(C)cc5)c(=O)c(=O)n4C[C@@H]3C2)s1 ZINC000306125448 568888268 /nfs/dbraw/zinc/88/82/68/568888268.db2.gz CRFJFHMVYDEZMU-HKUYNNGSSA-N 1 1 408.527 2.361 40 0 HEABMO CN(Cc1ccccc1)C(=O)[C@H]1C[N@@H+](C)CC2(CCN(C(=O)c3ccco3)CC2)O1 ZINC000306127521 568890603 /nfs/dbraw/zinc/89/06/03/568890603.db2.gz GAONVXTWXLNLEE-HXUWFJFHSA-N 1 1 411.502 2.244 40 0 HEABMO O=c1c(=O)n(Cc2cccs2)nc2n1CC[C@@]21CC[N@H+](Cc2ccc(F)cc2)C1 ZINC000306128197 568891004 /nfs/dbraw/zinc/89/10/04/568891004.db2.gz GTYREGIMVJILPN-OAQYLSRUSA-N 1 1 412.490 2.201 40 0 HEABMO Cn1cc(C[N@H+]2C[C@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccsc2)C3=O)cn1 ZINC000306129745 568892243 /nfs/dbraw/zinc/89/22/43/568892243.db2.gz ILNYPYIGQQHAJV-IRLDBZIGSA-N 1 1 423.542 2.274 40 0 HEABMO O=c1c(=O)n(Cc2cccs2)nc2n1CC[C@]21CC[N@H+](Cc2cccc(F)c2)C1 ZINC000306131412 568893610 /nfs/dbraw/zinc/89/36/10/568893610.db2.gz KDWABVXMLRJXSL-NRFANRHFSA-N 1 1 412.490 2.201 40 0 HEABMO O=C1N(Cc2ccncc2)CCO[C@@]12C[N@@H+](Cc1ccco1)C[C@H]2c1cccnc1 ZINC000306132794 568895151 /nfs/dbraw/zinc/89/51/51/568895151.db2.gz LSEZDQOYRQUHQK-JTHBVZDNSA-N 1 1 404.470 2.467 40 0 HEABMO Cn1cc(C[N@H+]2C[C@@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccccc2)C3=O)cn1 ZINC000306133914 568895817 /nfs/dbraw/zinc/89/58/17/568895817.db2.gz MZDQKQLFWHTJCB-UPVQGACJSA-N 1 1 417.513 2.212 40 0 HEABMO COCCN1C[C@]2(CC[N@H+](Cc3ccccc3F)C2)Oc2ccccc2S1(=O)=O ZINC000306135779 568897648 /nfs/dbraw/zinc/89/76/48/568897648.db2.gz PALKNDBOZIARIY-OAQYLSRUSA-N 1 1 420.506 2.500 40 0 HEABMO COCCN1C[C@]2(CC[N@@H+](Cc3ccccc3F)C2)Oc2ccccc2S1(=O)=O ZINC000306135779 568897650 /nfs/dbraw/zinc/89/76/50/568897650.db2.gz PALKNDBOZIARIY-OAQYLSRUSA-N 1 1 420.506 2.500 40 0 HEABMO COc1cccc(C[N@H+]2CC[C@]3(CCn4c3nn(Cc3cccs3)c(=O)c4=O)C2)c1 ZINC000306136862 568898786 /nfs/dbraw/zinc/89/87/86/568898786.db2.gz QFFQAUZELUTHQM-QFIPXVFZSA-N 1 1 424.526 2.071 40 0 HEABMO CC[NH+]1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cc(C)c(Cl)cc2C)CC1 ZINC000016789709 569046416 /nfs/dbraw/zinc/04/64/16/569046416.db2.gz YZCMUYAPODZZSQ-QGZVFWFLSA-N 1 1 413.971 2.274 40 0 HEABMO Cc1nnc(Nc2cc([C@@H]3CCCCN3C(=O)/C=C/C[NH+](C)C)nc(C)n2)s1 ZINC000585292529 571310166 /nfs/dbraw/zinc/31/01/66/571310166.db2.gz ODFRPYRMHYIIBP-DYLHUKMJSA-N 1 1 401.540 2.860 40 0 HEABMO Cc1nnc(Nc2cc([C@H]3CCCCN3C(=O)/C=C/C[NH+](C)C)nc(C)n2)s1 ZINC000585292532 571310325 /nfs/dbraw/zinc/31/03/25/571310325.db2.gz ODFRPYRMHYIIBP-MNDMWVCDSA-N 1 1 401.540 2.860 40 0 HEABMO COCC(=O)NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2c1cc(-c2ccccc2OC)nc(C)n1 ZINC000008622928 291206262 /nfs/dbraw/zinc/20/62/62/291206262.db2.gz CYYHHSFTAGBNEM-SCTDSRPQSA-N 1 1 410.518 2.401 40 0 biogenic,in-vitro HEABMO CCc1nn2c(nnc3c2ccn(CCC[NH+]2CCOCC2)c3=O)c1-c1ccccc1 ZINC000040390855 522713916 /nfs/dbraw/zinc/71/39/16/522713916.db2.gz HCUXBLUOPZCDAP-UHFFFAOYSA-N 1 1 418.501 2.391 40 0 HEABMO CC[NH+]1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)N3CCCCCC3)c2)CC1 ZINC000408713719 557747042 /nfs/dbraw/zinc/74/70/42/557747042.db2.gz PWGHCTINHAJGMY-UHFFFAOYSA-N 1 1 409.552 2.038 40 0 HEABMO CC(C)[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NC[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000036569397 557849087 /nfs/dbraw/zinc/84/90/87/557849087.db2.gz ZVVINHNERSCXLG-MISYRCLQSA-N 1 1 407.580 2.370 40 0 HEABMO COCCn1c2nc([C@@H]3CCC[N@@H+](CCc4ccccc4)C3)ccc2c(=O)n(C)c1=O ZINC000019743036 558263296 /nfs/dbraw/zinc/26/32/96/558263296.db2.gz JLJLTKLXUGAJTB-LJQANCHMSA-N 1 1 422.529 2.164 40 0 HEABMO COCCn1c2nc([C@H]3CCC[N@@H+](CCc4ccccc4)C3)ccc2c(=O)n(C)c1=O ZINC000019743038 558263393 /nfs/dbraw/zinc/26/33/93/558263393.db2.gz JLJLTKLXUGAJTB-IBGZPJMESA-N 1 1 422.529 2.164 40 0 HEABMO C[N@@H+]1CCN(C(=O)c2ccc(=O)n(CC(=O)NC3CCCC3)c2)[C@@H](c2ccccc2)C1 ZINC000019751217 558271296 /nfs/dbraw/zinc/27/12/96/558271296.db2.gz NYBXTRFPWHUZMF-OAQYLSRUSA-N 1 1 422.529 2.036 40 0 HEABMO C[N@H+]1CCN(C(=O)c2ccc(=O)n(CC(=O)NC3CCCC3)c2)[C@@H](c2ccccc2)C1 ZINC000019751217 558271299 /nfs/dbraw/zinc/27/12/99/558271299.db2.gz NYBXTRFPWHUZMF-OAQYLSRUSA-N 1 1 422.529 2.036 40 0 HEABMO COc1cccc(CNC(=O)c2cnc([C@H]3CC[N@@H+](Cc4cnn(C)c4)C3)nc2C)c1 ZINC000019753832 558273049 /nfs/dbraw/zinc/27/30/49/558273049.db2.gz SUIACDBANOTBHC-IBGZPJMESA-N 1 1 420.517 2.447 40 0 HEABMO Cn1nccc1C[N@H+]1CC[C@@H](c2cc(C(=O)N3CCOCC3)c3ccccc3n2)C1 ZINC000019762699 558277143 /nfs/dbraw/zinc/27/71/43/558277143.db2.gz KYUHJSOSAARTNL-QGZVFWFLSA-N 1 1 405.502 2.430 40 0 HEABMO Cn1ccnc1C1(O)C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)Nc1ccc(N2CCCC2)cc1 ZINC000012114537 558327341 /nfs/dbraw/zinc/32/73/41/558327341.db2.gz MOMOIDXILUHIFK-DETIRCLXSA-N 1 1 409.534 2.473 40 0 HEABMO Cn1ccnc1C1(O)C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1ccc(N2CCCC2)cc1 ZINC000012114537 558327344 /nfs/dbraw/zinc/32/73/44/558327344.db2.gz MOMOIDXILUHIFK-DETIRCLXSA-N 1 1 409.534 2.473 40 0 HEABMO Cc1nn(CC(=O)NCCC[N@@H+]2CCC[C@H](C)C2)c(=O)c2cc3sccc3n21 ZINC000012115258 558327749 /nfs/dbraw/zinc/32/77/49/558327749.db2.gz PMGAQXTXPVMPSX-AWEZNQCLSA-N 1 1 401.536 2.257 40 0 HEABMO COc1ccc(OC)c(S(=O)(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000017333588 558827193 /nfs/dbraw/zinc/82/71/93/558827193.db2.gz RXKMOPFATINUED-UHFFFAOYSA-N 1 1 406.504 2.015 40 0 HEABMO O=C([C@@H]1CCCO1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@H+](C2CCCCC2)C3)C1 ZINC000019014894 558836957 /nfs/dbraw/zinc/83/69/57/558836957.db2.gz ZEAJTFDOYZDYTO-KXBFYZLASA-N 1 1 400.523 2.368 40 0 HEABMO COc1cc(C[N@H+]2CCC[C@@H](c3cc(N)n4nc(C)cc4n3)C2)ccc1OCCO ZINC000019129267 558845221 /nfs/dbraw/zinc/84/52/21/558845221.db2.gz GKAFVEYSKJHPSI-QGZVFWFLSA-N 1 1 411.506 2.379 40 0 HEABMO O=C(C[N@@H+]1CCc2ccccc2C1)N1CCO[C@@H](c2nc(-c3ccncc3)no2)C1 ZINC000019375375 558881472 /nfs/dbraw/zinc/88/14/72/558881472.db2.gz RZDDQFJINFEJMJ-LJQANCHMSA-N 1 1 405.458 2.090 40 0 HEABMO O=C(C[N@H+]1CCc2ccccc2C1)N1CCO[C@@H](c2nc(-c3ccncc3)no2)C1 ZINC000019375375 558881474 /nfs/dbraw/zinc/88/14/74/558881474.db2.gz RZDDQFJINFEJMJ-LJQANCHMSA-N 1 1 405.458 2.090 40 0 HEABMO O=C(CCn1cccn1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@H+](C2CCCCC2)C3)C1 ZINC000019406080 558884958 /nfs/dbraw/zinc/88/49/58/558884958.db2.gz AZJGONYILZASJX-QGZVFWFLSA-N 1 1 424.549 2.063 40 0 HEABMO COc1ccc(CC(=O)N2CCC[C@@H]2c2nc3c(c(=O)[nH]2)C[N@H+](C(C)C)CC3)cc1 ZINC000019448261 558887214 /nfs/dbraw/zinc/88/72/14/558887214.db2.gz VTJCLEDPELEUOK-HXUWFJFHSA-N 1 1 410.518 2.451 40 0 HEABMO CCn1nc(C)c(C[N@H+]2CCc3nc4cc(OC)c(OC)cc4c(=O)n3CC2)c1C ZINC000019523842 558905158 /nfs/dbraw/zinc/90/51/58/558905158.db2.gz OPKODPXDKOCRQW-UHFFFAOYSA-N 1 1 411.506 2.305 40 0 HEABMO CCn1nc(C)c(C[N@@H+]2CCc3nc4cc(OC)c(OC)cc4c(=O)n3CC2)c1C ZINC000019523842 558905159 /nfs/dbraw/zinc/90/51/59/558905159.db2.gz OPKODPXDKOCRQW-UHFFFAOYSA-N 1 1 411.506 2.305 40 0 HEABMO Cc1cc(C)cc(C2(CNC(=O)C[C@@H]3C(=O)NCC[N@H+]3C(C)C)CCOCC2)c1 ZINC000019569537 558928491 /nfs/dbraw/zinc/92/84/91/558928491.db2.gz RKWSFYDKPZBVQT-HXUWFJFHSA-N 1 1 401.551 2.067 40 0 HEABMO Cc1cc(C)cc(C2(CNC(=O)C[C@@H]3C(=O)NCC[N@@H+]3C(C)C)CCOCC2)c1 ZINC000019569537 558928496 /nfs/dbraw/zinc/92/84/96/558928496.db2.gz RKWSFYDKPZBVQT-HXUWFJFHSA-N 1 1 401.551 2.067 40 0 HEABMO COc1ccccc1C[N@H+]1CCC[C@H](c2nc3c(c(=O)[nH]2)CN(C(=O)C2CC2)CC3)C1 ZINC000019570351 558929089 /nfs/dbraw/zinc/92/90/89/558929089.db2.gz UXUCBTYCRDQUMN-SFHVURJKSA-N 1 1 422.529 2.453 40 0 HEABMO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccc4nccnc4c2)C3)C[C@H](C)O1 ZINC000072347311 558944045 /nfs/dbraw/zinc/94/40/45/558944045.db2.gz NJBMACVVIPFHMH-GASCZTMLSA-N 1 1 406.490 2.297 40 0 HEABMO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccc4nccnc4c2)C3)C[C@H](C)O1 ZINC000072347311 558944049 /nfs/dbraw/zinc/94/40/49/558944049.db2.gz NJBMACVVIPFHMH-GASCZTMLSA-N 1 1 406.490 2.297 40 0 HEABMO Cc1cccn2c(=O)c(C(=O)N[C@@H](CC[NH+]3CCOCC3)c3ccccc3)cnc12 ZINC000019714697 558974783 /nfs/dbraw/zinc/97/47/83/558974783.db2.gz QOVWGGLZERJJRG-FQEVSTJZSA-N 1 1 406.486 2.196 40 0 HEABMO CC(C)C[N@H+]1CC2(CCN(C(=O)Cc3ccc(F)cn3)CC2)[C@]2(CCN(C)C2=O)C1 ZINC000585091846 559022899 /nfs/dbraw/zinc/02/28/99/559022899.db2.gz PYMKIMMRKMZKJW-HSZRJFAPSA-N 1 1 416.541 2.192 40 0 HEABMO O=C(NCc1ccon1)[C@H]1C[N@@H+](Cc2ccc(-n3ccnc3)cc2)CC12CCOCC2 ZINC000585101968 559025146 /nfs/dbraw/zinc/02/51/46/559025146.db2.gz LEASSSPRZMQJAY-OAQYLSRUSA-N 1 1 421.501 2.405 40 0 HEABMO CC(C)CC[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2cc(C3CC3)on2)CC1 ZINC000585106003 559028244 /nfs/dbraw/zinc/02/82/44/559028244.db2.gz CIAPRVXUHCESTN-SJORKVTESA-N 1 1 400.523 2.251 40 0 HEABMO CC[C@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2cc(C3CC3)on2)CC1 ZINC000585106111 559028426 /nfs/dbraw/zinc/02/84/26/559028426.db2.gz MWAYIGHUPJJXSE-UAGQMJEPSA-N 1 1 400.523 2.251 40 0 HEABMO CC[C@@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000585106124 559028446 /nfs/dbraw/zinc/02/84/46/559028446.db2.gz OHOYIKYSHVDOJG-AHRSYUTCSA-N 1 1 401.526 2.453 40 0 HEABMO O=C(c1cc(C2CC2)on1)N1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](CC3CCCC3)C[C@@H]12 ZINC000585106340 559028677 /nfs/dbraw/zinc/02/86/77/559028677.db2.gz XODMFXDRZXJGFQ-MSOLQXFVSA-N 1 1 412.534 2.395 40 0 HEABMO CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc3c(c2)CCO3)CC1 ZINC000585106284 559028720 /nfs/dbraw/zinc/02/87/20/559028720.db2.gz NWQOTRXWLSEJKG-AHRSYUTCSA-N 1 1 411.546 2.463 40 0 HEABMO Cc1cc(C(=O)N2CCC3(CC[C@@]4(C(=O)NCC(C)C)C[N@H+](C)C[C@@H]34)CC2)no1 ZINC000096143844 559096246 /nfs/dbraw/zinc/09/62/46/559096246.db2.gz MJPPYYCCMDHQHW-PGRDOPGGSA-N 1 1 402.539 2.319 40 0 HEABMO Cc1ccc(N2CC[N@@H+](CC3CC3)C3(CCN(C(=O)c4cccn4C)CC3)C2=O)cn1 ZINC000096230385 559103030 /nfs/dbraw/zinc/10/30/30/559103030.db2.gz ZOEPCGFCUFCAOK-UHFFFAOYSA-N 1 1 421.545 2.462 40 0 HEABMO Cc1ccc(N2CC[N@H+](CC3CC3)C3(CCN(C(=O)c4cccn4C)CC3)C2=O)cn1 ZINC000096230385 559103031 /nfs/dbraw/zinc/10/30/31/559103031.db2.gz ZOEPCGFCUFCAOK-UHFFFAOYSA-N 1 1 421.545 2.462 40 0 HEABMO COc1ccc(CNC(=O)C[NH+]2CCC(O)(COc3ccc(F)cc3)CC2)cc1 ZINC000585273612 559117563 /nfs/dbraw/zinc/11/75/63/559117563.db2.gz PTRFXDWKRPWFEK-UHFFFAOYSA-N 1 1 402.466 2.356 40 0 HEABMO CC(=O)N1CCC(O)(C[N@H+]2[C@@H](c3ccccc3)C[C@]3(C)[C@H]2CCC[C@@H](O)[C@@H]3O)CC1 ZINC000585284441 559121139 /nfs/dbraw/zinc/12/11/39/559121139.db2.gz SGXQMYNAEKTJPW-FWKCKQQBSA-N 1 1 416.562 2.087 40 0 HEABMO COc1ccccc1C[N@@H+](C)C[C@@]1(O)CN(C(=O)c2ccc(Cl)cc2)CC[C@@H]1O ZINC000585286119 559121841 /nfs/dbraw/zinc/12/18/41/559121841.db2.gz VWCDFLFUTKUVCD-RBBKRZOGSA-N 1 1 418.921 2.419 40 0 HEABMO Cc1ccc(N(CC(=O)N2CC[NH+](C)CC2)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000044791912 559173373 /nfs/dbraw/zinc/17/33/73/559173373.db2.gz FKJGZPDSJKPZMS-UHFFFAOYSA-N 1 1 401.532 2.273 40 0 HEABMO O=C(C[NH+]1CCC(O)(COc2ccccc2F)CC1)NCCOc1ccccc1 ZINC000257217608 559282678 /nfs/dbraw/zinc/28/26/78/559282678.db2.gz CZSSQLOQFIANLF-UHFFFAOYSA-N 1 1 402.466 2.227 40 0 HEABMO CCc1ccccc1NC(=O)[C@H]1CC(=O)NC(N2CC[NH+](Cc3ccccc3)CC2)=N1 ZINC000014606976 560846721 /nfs/dbraw/zinc/84/67/21/560846721.db2.gz UJDSASIFJBOSNP-OAQYLSRUSA-N 1 1 419.529 2.250 40 0 HEABMO COc1ccc(CNC(=O)C[NH+]2CCC(NC(=O)c3ccc(OC)cc3)CC2)cc1 ZINC000015935452 560857270 /nfs/dbraw/zinc/85/72/70/560857270.db2.gz AQQBEFGBQOQLND-UHFFFAOYSA-N 1 1 411.502 2.214 40 0 HEABMO COCCn1nnnc1[C@H](c1ccccc1F)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019594099 560875339 /nfs/dbraw/zinc/87/53/39/560875339.db2.gz WRMWNQZSBNAVIM-NRFANRHFSA-N 1 1 410.497 2.366 40 0 HEABMO CN1CC[NH+](CCCNC(=O)CSCc2ccc(Br)cc2)CC1 ZINC000022829389 568499773 /nfs/dbraw/zinc/49/97/73/568499773.db2.gz IGAHCFFTRCIJPJ-UHFFFAOYSA-N 1 1 400.386 2.436 40 0 HEABMO CC[NH+]1CCN(C(=O)CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccccc2)CC1 ZINC000023423221 568509707 /nfs/dbraw/zinc/50/97/07/568509707.db2.gz VETQFHPEDHBKMB-UHFFFAOYSA-N 1 1 415.559 2.350 40 0 HEABMO CCN(Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)S(=O)(=O)c1ccccc1 ZINC000224448424 568581515 /nfs/dbraw/zinc/58/15/15/568581515.db2.gz UDBOTMQOWUHRKY-UHFFFAOYSA-N 1 1 401.532 2.285 40 0 HEABMO CCS(=O)(=O)Nc1ccc(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000224728715 568593735 /nfs/dbraw/zinc/59/37/35/568593735.db2.gz GFDGOGUDBQCLEZ-UHFFFAOYSA-N 1 1 417.531 2.210 40 0 HEABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)CN(Cc1ccccc1F)S(C)(=O)=O ZINC000260769947 568738334 /nfs/dbraw/zinc/73/83/34/568738334.db2.gz UAFCEPYFMKKLEZ-SFHVURJKSA-N 1 1 413.559 2.358 40 0 HEABMO CSc1ccc(S(=O)(=O)N(C)CC(=O)NCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000260810630 568739985 /nfs/dbraw/zinc/73/99/85/568739985.db2.gz IWVBEROEOLOHHE-INIZCTEOSA-N 1 1 413.609 2.267 40 0 HEABMO CCOc1ccc2[nH]c(C(=O)N3CC[C@H](O)[C@@H]([NH+]4CCOCC4)CC3)c(C)c2c1 ZINC000257202402 568776812 /nfs/dbraw/zinc/77/68/12/568776812.db2.gz ALQUEKNCAQGETA-PMACEKPBSA-N 1 1 401.507 2.173 40 0 HEABMO NC(=O)[C@]1(c2ccccn2)CCC[N@H+](CC(=O)Nc2ccc(N3CCCC3)cc2)C1 ZINC000257232818 568785634 /nfs/dbraw/zinc/78/56/34/568785634.db2.gz GMOKMYRENOWFED-HSZRJFAPSA-N 1 1 407.518 2.139 40 0 HEABMO NC(=O)[C@]1(c2ccccn2)CCC[N@@H+](CC(=O)Nc2ccc(N3CCCC3)cc2)C1 ZINC000257232818 568785635 /nfs/dbraw/zinc/78/56/35/568785635.db2.gz GMOKMYRENOWFED-HSZRJFAPSA-N 1 1 407.518 2.139 40 0 HEABMO C[N@H+]1CCN(C(=O)C(C)(c2ccccc2)c2ccccc2)C[C@](O)(Cn2cccn2)C1 ZINC000257327370 568812505 /nfs/dbraw/zinc/81/25/05/568812505.db2.gz XBBWXRVHADDXNX-VWLOTQADSA-N 1 1 418.541 2.394 40 0 HEABMO CNc1nc([C@@H]2CCN(C(=O)CCc3ccccc3OC)C2)nc2c1CC[N@H+](C)C2 ZINC000257333192 568813922 /nfs/dbraw/zinc/81/39/22/568813922.db2.gz YAOIPNZEPPXHSO-QGZVFWFLSA-N 1 1 409.534 2.464 40 0 HEABMO CNc1nc([C@@H]2CCN(C(=O)CCc3ccccc3OC)C2)nc2c1CC[N@@H+](C)C2 ZINC000257333192 568813925 /nfs/dbraw/zinc/81/39/25/568813925.db2.gz YAOIPNZEPPXHSO-QGZVFWFLSA-N 1 1 409.534 2.464 40 0 HEABMO O=C(NCc1cccs1)c1nnc2n1CCN1CC[N@@H+](Cc3cccs3)C[C@@H]21 ZINC000306123938 568887030 /nfs/dbraw/zinc/88/70/30/568887030.db2.gz BAZKALLVGPKVST-INIZCTEOSA-N 1 1 414.560 2.204 40 0 HEABMO O=C(NCc1cccs1)c1nnc2n1CCN1CC[N@H+](Cc3cccs3)C[C@@H]21 ZINC000306123938 568887032 /nfs/dbraw/zinc/88/70/32/568887032.db2.gz BAZKALLVGPKVST-INIZCTEOSA-N 1 1 414.560 2.204 40 0 HEABMO Cc1ccsc1C[N@H+]1CC[C@@]2(CCn3c2nn(Cc2cccs2)c(=O)c3=O)C1 ZINC000306124745 568887627 /nfs/dbraw/zinc/88/76/27/568887627.db2.gz BYBPZJCCZGYAKZ-HXUWFJFHSA-N 1 1 414.556 2.432 40 0 HEABMO COc1ccccc1C[N@H+]1CCOC[C@]2(CC[C@@H](CNC(=O)c3cccnc3)O2)C1 ZINC000306125772 568888617 /nfs/dbraw/zinc/88/86/17/568888617.db2.gz DBVZISPYSRIZPL-REWPJTCUSA-N 1 1 411.502 2.270 40 0 HEABMO CCc1ccc(C[N@H+]2CC[C@]3(C2)Cn2c(=O)c(=O)n(C4CCCC4)nc2CO3)cc1 ZINC000306138027 568899898 /nfs/dbraw/zinc/89/98/98/568899898.db2.gz RNAYVYCLEKWTOF-QHCPKHFHSA-N 1 1 410.518 2.257 40 0 HEABMO C[N@H+]1C[C@@H](C(=O)NCc2ccc(F)cc2)OC2(CCN(C(=O)c3ccco3)CC2)C1 ZINC000306144660 568906058 /nfs/dbraw/zinc/90/60/58/568906058.db2.gz ZLKATQAKCHGKLR-IBGZPJMESA-N 1 1 415.465 2.041 40 0 HEABMO CC[NH+]1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cc(C)c(Cl)cc2C)CC1 ZINC000016789708 569046460 /nfs/dbraw/zinc/04/64/60/569046460.db2.gz YZCMUYAPODZZSQ-KRWDZBQOSA-N 1 1 413.971 2.274 40 0 HEABMO C[C@@H]1CCC[N@@H+](CC(C)(C)NC(=O)c2cc(C3CC3)n([C@H]3CCS(=O)(=O)C3)n2)C1 ZINC000253602862 569318371 /nfs/dbraw/zinc/31/83/71/569318371.db2.gz SICLQQZOPMUEEB-WBVHZDCISA-N 1 1 422.595 2.360 40 0 HEABMO Cn1cc2c(n1)[C@@H](C(=O)N1CCOCC1)C[N@@H+](Cc1ccc(-c3ccccn3)cc1)C2 ZINC000019701483 569347309 /nfs/dbraw/zinc/34/73/09/569347309.db2.gz ZRXPGWRCAMXUFV-NRFANRHFSA-N 1 1 417.513 2.440 40 0 HEABMO Cn1cc2c(n1)[C@@H](C(=O)N1CCOCC1)C[N@H+](Cc1ccc(-c3ccccn3)cc1)C2 ZINC000019701483 569347310 /nfs/dbraw/zinc/34/73/10/569347310.db2.gz ZRXPGWRCAMXUFV-NRFANRHFSA-N 1 1 417.513 2.440 40 0 HEABMO CC(=O)Nc1ccc(C[NH2+]C2(Cc3cc(C(=O)N4CCCCC4)on3)COC2)cc1 ZINC000067898519 291202993 /nfs/dbraw/zinc/20/29/93/291202993.db2.gz DJIVBTJNFRTRRL-UHFFFAOYSA-N 1 1 412.490 2.360 40 0 biogenic,in-vitro HEABMO CN1[C@@H]2CC[N@@H+](CC(C)(C)C)[C@@H]2C(=O)NC[C@@H]1CCC(=O)NCc1ccccc1 ZINC000035442428 291205541 /nfs/dbraw/zinc/20/55/41/291205541.db2.gz BGSYVRDYBNVVMX-ZVDOUQERSA-N 1 1 400.567 2.002 40 0 biogenic,in-vitro HEABMO COCCOc1ncccc1-c1noc([C@@H]2CCC[N@H+]2C2CCN(C(C)=O)CC2)n1 ZINC000035424954 291206613 /nfs/dbraw/zinc/20/66/13/291206613.db2.gz UCJFDHMXUHQVQO-SFHVURJKSA-N 1 1 415.494 2.305 40 0 biogenic,in-vitro HEABMO CC[NH+]1CCN(C(=O)c2nnc3c(-c4ccc(OC)cc4)c(COC)nn3c2C)CC1 ZINC000040372625 521670963 /nfs/dbraw/zinc/67/09/63/521670963.db2.gz AFLUUEKPBRMHRH-UHFFFAOYSA-N 1 1 424.505 2.032 40 0 HEABMO C/C=C/Cn1c(=O)c2c(nc3n2CC(C)=[NH+]N3C/C=C/c2ccccc2)n(C)c1=O ZINC000010336953 557271496 /nfs/dbraw/zinc/27/14/96/557271496.db2.gz OKZCHSBRZSCHFY-OWZSENBOSA-N 1 1 404.474 2.382 40 0 HEABMO C[N@@H+]1CCN(C(=O)Cn2cc(NC(=O)c3ccccn3)cn2)[C@@H](c2ccccc2)C1 ZINC000019749464 558268764 /nfs/dbraw/zinc/26/87/64/558268764.db2.gz IYWTUSYCCAIJOG-HXUWFJFHSA-N 1 1 404.474 2.046 40 0 HEABMO C[N@H+]1CCN(C(=O)Cn2cc(NC(=O)c3ccccn3)cn2)[C@@H](c2ccccc2)C1 ZINC000019749464 558268767 /nfs/dbraw/zinc/26/87/67/558268767.db2.gz IYWTUSYCCAIJOG-HXUWFJFHSA-N 1 1 404.474 2.046 40 0 HEABMO C[N@@H+]1CCN(C(=O)c2cccn(CC(=O)NC3CCCC3)c2=O)[C@@H](c2ccccc2)C1 ZINC000019750170 558270292 /nfs/dbraw/zinc/27/02/92/558270292.db2.gz SJAVXJGXETZBTP-OAQYLSRUSA-N 1 1 422.529 2.036 40 0 HEABMO C[N@H+]1CCN(C(=O)c2cccn(CC(=O)NC3CCCC3)c2=O)[C@@H](c2ccccc2)C1 ZINC000019750170 558270295 /nfs/dbraw/zinc/27/02/95/558270295.db2.gz SJAVXJGXETZBTP-OAQYLSRUSA-N 1 1 422.529 2.036 40 0 HEABMO CCc1ccc(NC(=O)C(=O)NCCN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000019831138 558291449 /nfs/dbraw/zinc/29/14/49/558291449.db2.gz SGQLBWHYYWAKBK-UHFFFAOYSA-N 1 1 412.509 2.261 40 0 HEABMO COC(=O)[C@@]12C[N@H+](C)C[C@@](C(=O)OC)(C1=O)[C@@H](c1ccccc1)O[C@@H]2c1ccccc1 ZINC000017175883 558824864 /nfs/dbraw/zinc/82/48/64/558824864.db2.gz WXHWUFKLCLYPBR-XUFREYRYSA-N 1 1 423.465 2.333 40 0 HEABMO O=C(C[C@@H]1C=CCC1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@H+](C1CCOCC1)CC2 ZINC000019014478 558836598 /nfs/dbraw/zinc/83/65/98/558836598.db2.gz PJHRBTUYFGMKHG-UZLBHIALSA-N 1 1 412.534 2.327 40 0 HEABMO O=C([C@@H]1CCCO1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@H+](C2CCCCC2)C3)C1 ZINC000019014891 558836946 /nfs/dbraw/zinc/83/69/46/558836946.db2.gz ZEAJTFDOYZDYTO-BEFAXECRSA-N 1 1 400.523 2.368 40 0 HEABMO Cc1cccc(C[N@H+]2CC[C@@H](c3nc4c(c(=O)[nH]3)CCN(C(=O)C3CCC3)C4)C2)n1 ZINC000019236155 558855146 /nfs/dbraw/zinc/85/51/46/558855146.db2.gz VUMHVLJIGXQOHZ-QGZVFWFLSA-N 1 1 407.518 2.148 40 0 HEABMO COc1ncc([C@]2(O)CC[C@H]3C[N@@H+](Cc4nc(C)n5ccccc45)C[C@H]32)c(OC)n1 ZINC000019240722 558859202 /nfs/dbraw/zinc/85/92/02/558859202.db2.gz JFLRSZCKQSLMDT-LBUQITIBSA-N 1 1 409.490 2.180 40 0 HEABMO COc1ncc([C@]2(O)CC[C@H]3CN(Cc4[nH+]c(C)n5ccccc45)C[C@H]32)c(OC)n1 ZINC000019240722 558859204 /nfs/dbraw/zinc/85/92/04/558859204.db2.gz JFLRSZCKQSLMDT-LBUQITIBSA-N 1 1 409.490 2.180 40 0 HEABMO Cc1nn(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c(=O)c2cc3ccsc3n21 ZINC000019288297 558861376 /nfs/dbraw/zinc/86/13/76/558861376.db2.gz MAJLITHURULRFU-UHFFFAOYSA-N 1 1 421.526 2.364 40 0 HEABMO Cn1nccc1C[N@H+]1CCC[C@H](c2nc(N3CCOCC3)ncc2-c2ccncc2)C1 ZINC000019289232 558862114 /nfs/dbraw/zinc/86/21/14/558862114.db2.gz ALYHRFNVUDBJKY-IBGZPJMESA-N 1 1 419.533 2.488 40 0 HEABMO O=C(c1cccnc1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@H+](C2CCCCC2)C3)C1 ZINC000019337363 558870384 /nfs/dbraw/zinc/87/03/84/558870384.db2.gz XTJVCWHOLFKIFW-KRWDZBQOSA-N 1 1 407.518 2.485 40 0 HEABMO O=C(c1ccccc1)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)N1CCn2cnnc2C1 ZINC000019372456 558879871 /nfs/dbraw/zinc/87/98/71/558879871.db2.gz BWDVXNIHJZZATJ-SFTDATJTSA-N 1 1 415.497 2.251 40 0 HEABMO CC(C)[N@H+]1CCc2nc([C@H]3CCCCN3S(=O)(=O)c3ccccc3)[nH]c(=O)c2C1 ZINC000019448206 558887020 /nfs/dbraw/zinc/88/70/20/558887020.db2.gz RMSRTAHRCAQJTN-LJQANCHMSA-N 1 1 416.547 2.452 40 0 HEABMO CC(C)[N@@H+]1CCc2nc3cc(C(=O)N4CCCC[C@@H]4CCO)ccc3c(=O)n2CC1 ZINC000019448601 558887349 /nfs/dbraw/zinc/88/73/49/558887349.db2.gz PRRXDRCZLBNZDZ-GOSISDBHSA-N 1 1 412.534 2.040 40 0 HEABMO CC(C)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccnc(N2CCOCC2)n1 ZINC000019450000 558888503 /nfs/dbraw/zinc/88/85/03/558888503.db2.gz KIZYAOWCOPVPKP-WOJBJXKFSA-N 1 1 409.534 2.053 40 0 HEABMO CCOc1ccc(C[N@H+]2CCc3nc(-c4cnccn4)[nH]c(=O)c3CC2)cc1OC ZINC000019533918 558913564 /nfs/dbraw/zinc/91/35/64/558913564.db2.gz BESOCSHJVAAQQK-UHFFFAOYSA-N 1 1 407.474 2.235 40 0 HEABMO CNC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)C[N@H+](Cc2cnn(C)c2C)CCO1 ZINC000019553744 558916752 /nfs/dbraw/zinc/91/67/52/558916752.db2.gz PGXJOUGZZFEXQB-DEOSSOPVSA-N 1 1 419.529 2.350 40 0 HEABMO CNC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)C[N@@H+](Cc2cnn(C)c2C)CCO1 ZINC000019553744 558916755 /nfs/dbraw/zinc/91/67/55/558916755.db2.gz PGXJOUGZZFEXQB-DEOSSOPVSA-N 1 1 419.529 2.350 40 0 HEABMO Cc1nn(C(F)F)c(C)c1S(=O)(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000019577627 558933487 /nfs/dbraw/zinc/93/34/87/558933487.db2.gz SPWZKUYFUUBAPF-UHFFFAOYSA-N 1 1 414.478 2.206 40 0 HEABMO CCSCc1nc2c(nnn2C2CC[NH+](Cc3ccnc(C)n3)CC2)c(=O)[nH]1 ZINC000072337405 558937911 /nfs/dbraw/zinc/93/79/11/558937911.db2.gz FLCQXHLXHXWTJE-UHFFFAOYSA-N 1 1 400.512 2.116 40 0 HEABMO COCCc1ncc(C[N@H+]2CCC[C@@H](c3cc(=O)[nH]c(N4CCCCC4)n3)C2)cn1 ZINC000019593844 558945091 /nfs/dbraw/zinc/94/50/91/558945091.db2.gz LFYPOIDUTYOSDT-GOSISDBHSA-N 1 1 412.538 2.119 40 0 HEABMO NC(=O)C1CCN(C(=O)C[N@H+]2CCC[C@H](c3ccc(-c4ccccn4)cn3)C2)CC1 ZINC000019688737 558958167 /nfs/dbraw/zinc/95/81/67/558958167.db2.gz MFNCMEALODUCMY-IBGZPJMESA-N 1 1 407.518 2.047 40 0 HEABMO COCCNC(=O)C[NH+]1CCC([C@H]2CC=CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000019698384 558966010 /nfs/dbraw/zinc/96/60/10/558966010.db2.gz HSSPIIFBHQRYLP-OAQYLSRUSA-N 1 1 417.525 2.205 40 0 HEABMO COc1ccc(C[N@H+]2C[C@@H]3CC[C@@](O)(c4cnc(OC)nc4OC)[C@@H]3C2)c(OC)c1 ZINC000072392580 558972359 /nfs/dbraw/zinc/97/23/59/558972359.db2.gz LMFGOOKCALPDED-GKIWIXTESA-N 1 1 415.490 2.241 40 0 HEABMO Cn1c2ccccc2nc(C(=O)N[C@H](CC[NH+]2CCOCC2)c2ccccc2)c1=O ZINC000019715745 558977117 /nfs/dbraw/zinc/97/71/17/558977117.db2.gz ZEZRHDSQJSTGJO-GOSISDBHSA-N 1 1 406.486 2.127 40 0 HEABMO Cc1nc(C)c(C[N@H+]2C[C@H](C(=O)NCc3ncc(C)cn3)C3(C2)CCOCC3)s1 ZINC000585102000 559025285 /nfs/dbraw/zinc/02/52/85/559025285.db2.gz VENZNOJSDYIOBA-QGZVFWFLSA-N 1 1 415.563 2.403 40 0 HEABMO COc1cc(OC)cc(C(=O)N2CCC3(CO[C@@H](C[N@H+]4CCC[C@@H](O)C4)C3)CC2)c1 ZINC000585103085 559026338 /nfs/dbraw/zinc/02/63/38/559026338.db2.gz CIIRWZWYQWNSES-WIYYLYMNSA-N 1 1 418.534 2.172 40 0 HEABMO Cc1ccc(OCC(=O)N2CCC3(CO[C@@H](C[N@H+]4CCC[C@@H](O)C4)C3)CC2)cc1 ZINC000585104839 559027362 /nfs/dbraw/zinc/02/73/62/559027362.db2.gz UCSCGMGEPVRNBP-TZIWHRDSSA-N 1 1 402.535 2.228 40 0 HEABMO CC[C@@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc3c(c2)CCO3)CC1 ZINC000585106121 559028466 /nfs/dbraw/zinc/02/84/66/559028466.db2.gz ODVDRKMPVZFQSP-AHRSYUTCSA-N 1 1 411.546 2.320 40 0 HEABMO CC(C)c1ccc(S(=O)(=O)N2CCC3(C[C@H](N4CC[NH+](C)CC4)CO3)CC2)cc1 ZINC000096220841 559101992 /nfs/dbraw/zinc/10/19/92/559101992.db2.gz LRSJEZCPBLQORY-FQEVSTJZSA-N 1 1 421.607 2.370 40 0 HEABMO COCC[N@@H+](C)C[C@H]1CO[C@@]2(C1)CCCN(C(=O)c1nn(C)c3ccccc31)C2 ZINC000096228493 559102840 /nfs/dbraw/zinc/10/28/40/559102840.db2.gz RKVOSAMHVZNAQF-HTAPYJJXSA-N 1 1 400.523 2.163 40 0 HEABMO COCC[N@@H+](C)C[C@@H]1CO[C@@]2(C1)CCCN(C(=O)c1nn(C)c3ccccc31)C2 ZINC000096228491 559102881 /nfs/dbraw/zinc/10/28/81/559102881.db2.gz RKVOSAMHVZNAQF-VGOFRKELSA-N 1 1 400.523 2.163 40 0 HEABMO CC(C)C[N@H+]1CC2(CCN(S(=O)(=O)c3ccccc3)CC2)[C@@]2(CCN(C)C2=O)C1 ZINC000096262573 559106470 /nfs/dbraw/zinc/10/64/70/559106470.db2.gz MTEKCZVCOJAQEL-QFIPXVFZSA-N 1 1 419.591 2.278 40 0 HEABMO CC(C)C[N@H+]1CC2(CCN(S(=O)(=O)c3ccccc3)CC2)[C@]2(CCN(C)C2=O)C1 ZINC000096262572 559106555 /nfs/dbraw/zinc/10/65/55/559106555.db2.gz MTEKCZVCOJAQEL-JOCHJYFZSA-N 1 1 419.591 2.278 40 0 HEABMO CCN1CC[C@]2(C[N@@H+](CCOC)CC23CCN(C(=O)c2cccs2)CC3)C1=O ZINC000096262790 559106711 /nfs/dbraw/zinc/10/67/11/559106711.db2.gz LRRXVCLUWAMTIU-NRFANRHFSA-N 1 1 405.564 2.171 40 0 HEABMO CCOC(=O)N1CCC([N@H+]2CCOC[C@](O)(COc3ccc(F)c(F)c3)C2)CC1 ZINC000585282496 559120055 /nfs/dbraw/zinc/12/00/55/559120055.db2.gz LCRNGHXDVZJCPT-FQEVSTJZSA-N 1 1 414.449 2.028 40 0 HEABMO CC[N@@H+](Cc1ccncc1)C[C@@]1(O)CN(C(=O)c2ccc(Cl)cc2)CC[C@@H]1O ZINC000585285622 559121671 /nfs/dbraw/zinc/12/16/71/559121671.db2.gz RBDKPBQQCWQTKL-PZJWPPBQSA-N 1 1 403.910 2.195 40 0 HEABMO CC(=O)N1CC[N@@H+](CC2(O)CCCCC2)C[C@](O)(COc2cc(C)cc(C)c2)C1 ZINC000585286696 559122077 /nfs/dbraw/zinc/12/20/77/559122077.db2.gz HUURBTUOYKNPPH-HSZRJFAPSA-N 1 1 404.551 2.273 40 0 HEABMO COc1ccc(N2C(=O)C[C@H](N3CC[NH+](Cc4ccccc4)CC3)C2=O)c(OC)c1 ZINC000101274462 559144422 /nfs/dbraw/zinc/14/44/22/559144422.db2.gz WVCREJUFZZAQJT-FQEVSTJZSA-N 1 1 409.486 2.154 40 0 HEABMO O[C@@]1(CN2CCC(F)(F)CC2)CC[N@@H+](Cc2cccc(CN3CCOCC3)c2)C1 ZINC000257233169 559283946 /nfs/dbraw/zinc/28/39/46/559283946.db2.gz GOCLGIKTDXZOJM-OAQYLSRUSA-N 1 1 409.521 2.187 40 0 HEABMO O[C@@]1(C[NH+]2CCC(F)(F)CC2)CCN(Cc2cccc(CN3CCOCC3)c2)C1 ZINC000257233169 559283948 /nfs/dbraw/zinc/28/39/48/559283948.db2.gz GOCLGIKTDXZOJM-OAQYLSRUSA-N 1 1 409.521 2.187 40 0 HEABMO C[N@H+](Cc1ccc(OCC(=O)N2CCOCC2)cc1)C[C@H](O)COC1CCCCC1 ZINC000257282939 559285286 /nfs/dbraw/zinc/28/52/86/559285286.db2.gz OVZKADQWVIXECO-FQEVSTJZSA-N 1 1 420.550 2.066 40 0 HEABMO Cc1cc2cc([C@@H](c3nnnn3C(C)(C)C)N3CC[NH+](C)CC3)c(=O)[nH]c2cc1C ZINC000020083654 560880426 /nfs/dbraw/zinc/88/04/26/560880426.db2.gz NENBZXRRZASNBF-IBGZPJMESA-N 1 1 409.538 2.223 40 0 HEABMO O=C(NCCCN1CCOCC1)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000219422436 568491754 /nfs/dbraw/zinc/49/17/54/568491754.db2.gz NBCUCXAPGUSLIK-UHFFFAOYSA-N 1 1 424.383 2.500 40 0 HEABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H](c2ccccc2)N(C)S(C)(=O)=O)cc1 ZINC000223387655 568547143 /nfs/dbraw/zinc/54/71/43/568547143.db2.gz FSLYHGQYZZOSLB-FQEVSTJZSA-N 1 1 412.515 2.430 40 0 HEABMO COc1ccc(S(=O)(=O)N(C)c2cc(C(=O)N3CC[NH+](C)CC3)ccc2C)cc1 ZINC000224325504 568577997 /nfs/dbraw/zinc/57/79/97/568577997.db2.gz NZJUNJGUMLZWFO-UHFFFAOYSA-N 1 1 417.531 2.216 40 0 HEABMO Cc1c(NS(C)(=O)=O)cccc1C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224727213 568593832 /nfs/dbraw/zinc/59/38/32/568593832.db2.gz CNOBRFIGFCJUKP-UHFFFAOYSA-N 1 1 417.531 2.129 40 0 HEABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CN(Cc2ccccc2)S(C)(=O)=O)cc1 ZINC000225439464 568638095 /nfs/dbraw/zinc/63/80/95/568638095.db2.gz AHDGKVBFMATGGJ-UHFFFAOYSA-N 1 1 412.515 2.259 40 0 HEABMO O=C(N1C[C@H](O)[C@@H]([N@H+]2CCc3ccccc3C2)C1)C1(c2ccccc2)CCOCC1 ZINC000257207086 568778073 /nfs/dbraw/zinc/77/80/73/568778073.db2.gz BGGXNTZDJLQAIV-GOTSBHOMSA-N 1 1 406.526 2.365 40 0 HEABMO CNc1nc([C@H]2CCN(S(=O)(=O)c3ccc(F)c(C)c3)C2)nc2c1CC[N@H+](C)C2 ZINC000257234531 568785864 /nfs/dbraw/zinc/78/58/64/568785864.db2.gz GTYOPYGKMKKBIV-AWEZNQCLSA-N 1 1 419.526 2.132 40 0 HEABMO CNc1nc([C@H]2CCN(S(=O)(=O)c3ccc(F)c(C)c3)C2)nc2c1CC[N@@H+](C)C2 ZINC000257234531 568785867 /nfs/dbraw/zinc/78/58/67/568785867.db2.gz GTYOPYGKMKKBIV-AWEZNQCLSA-N 1 1 419.526 2.132 40 0 HEABMO Cc1ccc(N2CCC(O)(C[N@H+]3CCC[C@](C(N)=O)(c4ccccn4)C3)CC2)cc1 ZINC000257244304 568788684 /nfs/dbraw/zinc/78/86/84/568788684.db2.gz IKSXSYPQGFPMLK-XMMPIXPASA-N 1 1 408.546 2.240 40 0 HEABMO CCc1onc(C)c1-c1cccc([C@@H]2CN(C(=O)CC[NH+]3CCOCC3)CCO2)n1 ZINC000257274145 568796814 /nfs/dbraw/zinc/79/68/14/568796814.db2.gz NJTIGZUXXAVULU-FQEVSTJZSA-N 1 1 414.506 2.230 40 0 HEABMO NC(=O)[C@@]1(c2ccccn2)CCC[N@@H+](CC2(O)CCN(c3ccccc3F)CC2)C1 ZINC000257278243 568797888 /nfs/dbraw/zinc/79/78/88/568797888.db2.gz OBLLYPAGLWBIBF-QHCPKHFHSA-N 1 1 412.509 2.071 40 0 HEABMO O=C(C[N@@H+]1C[C@H]2[C@@H](C1)CCC[C@@H]2Cc1cnccn1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000257302252 568804932 /nfs/dbraw/zinc/80/49/32/568804932.db2.gz SCDJCGYTAPNPLH-IIDMSEBBSA-N 1 1 406.490 2.176 40 0 HEABMO COc1ccc(CN2CCO[C@@]3(C2)CC=CCN(C)C3=O)cc1Cn1cc[nH+]c1C ZINC000257304700 568805859 /nfs/dbraw/zinc/80/58/59/568805859.db2.gz SMTVIEQUDSGVCE-HSZRJFAPSA-N 1 1 410.518 2.238 40 0 HEABMO CCn1c(CCCC(=O)N(C)[C@@H]2CC[C@@H]([NH+]3CCOCC3)[C@@H]2O)nc2ccccc21 ZINC000257310723 568807501 /nfs/dbraw/zinc/80/75/01/568807501.db2.gz UGGQBDWCVGSNNL-TXTKFYIRSA-N 1 1 414.550 2.061 40 0 HEABMO CNC(=O)[C@@]1(c2ccccn2)CCC[N@H+](CC(=O)Nc2ccc(N3CCCC3)cc2)C1 ZINC000257310909 568807623 /nfs/dbraw/zinc/80/76/23/568807623.db2.gz UHDBWQNYBQWBJO-DEOSSOPVSA-N 1 1 421.545 2.400 40 0 HEABMO CNC(=O)[C@@]1(c2ccccn2)CCC[N@@H+](CC(=O)Nc2ccc(N3CCCC3)cc2)C1 ZINC000257310909 568807626 /nfs/dbraw/zinc/80/76/26/568807626.db2.gz UHDBWQNYBQWBJO-DEOSSOPVSA-N 1 1 421.545 2.400 40 0 HEABMO O=C1N(Cc2cccnc2)CCO[C@]12C[N@@H+](Cc1ccccn1)C[C@H]2c1cccnc1 ZINC000306123271 568886584 /nfs/dbraw/zinc/88/65/84/568886584.db2.gz AIVPHBAWXUAIHW-UPVQGACJSA-N 1 1 415.497 2.269 40 0 HEABMO CC(C)N1CC[N@@H+](CC2CC2)C[C@H]1c1nnc2ccc(C(=O)NCC(F)(F)F)cn21 ZINC000306124470 568887497 /nfs/dbraw/zinc/88/74/97/568887497.db2.gz BQRFRKXZVDAMJE-INIZCTEOSA-N 1 1 424.471 2.499 40 0 HEABMO O=c1c(=O)n(Cc2ccc(F)cc2)nc2n1C[C@@]1(CC[N@@H+](Cc3ccsc3)C1)C2 ZINC000306125013 568888036 /nfs/dbraw/zinc/88/80/36/568888036.db2.gz CEOSVTGCFICQFK-NRFANRHFSA-N 1 1 412.490 2.102 40 0 HEABMO O=C(c1ccsc1)N1CCN(C2=NO[C@H]3CC[N@@H+](Cc4ccco4)C[C@@H]23)CC1 ZINC000306126656 568889504 /nfs/dbraw/zinc/88/95/04/568889504.db2.gz FBEQLFAISQOJGI-MSOLQXFVSA-N 1 1 400.504 2.333 40 0 HEABMO O=c1c(=O)n(Cc2cccs2)nc2n1CC[C@@]21CC[N@H+](Cc2ccccc2F)C1 ZINC000306130331 568892782 /nfs/dbraw/zinc/89/27/82/568892782.db2.gz JCUQHNBMVVFXIC-OAQYLSRUSA-N 1 1 412.490 2.201 40 0 HEABMO COc1ncccc1C[N@@H+]1C[C@@H]2Cc3nnc(C(=O)Nc4cccc(F)c4)n3C[C@@H]2C1 ZINC000306134116 568896083 /nfs/dbraw/zinc/89/60/83/568896083.db2.gz NDVMTIMHTZSRTC-HOTGVXAUSA-N 1 1 422.464 2.377 40 0 HEABMO CN1CCN(c2ncc3c(n2)[C@]2(CC[N@@H+](Cc4cccc5cc[nH]c54)C2)COC3)CC1 ZINC000306134961 568896986 /nfs/dbraw/zinc/89/69/86/568896986.db2.gz OCPQYGCRFLJHKD-DEOSSOPVSA-N 1 1 418.545 2.384 40 0 HEABMO COc1ccc(NC(=O)c2nnc3n2C[C@H]2C[N@H+](Cc4ccncc4)C[C@@H]2C3)cc1 ZINC000306139301 568901215 /nfs/dbraw/zinc/90/12/15/568901215.db2.gz SUFDIQOYOOXGHX-DLBZAZTESA-N 1 1 404.474 2.238 40 0 HEABMO Cc1ccsc1C[N@H+]1CCN2CCn3c(C(=O)NC4CCCC4)nnc3[C@@H]2C1 ZINC000306144530 568905863 /nfs/dbraw/zinc/90/58/63/568905863.db2.gz ZIAYZCVTSWQDAB-INIZCTEOSA-N 1 1 400.552 2.193 40 0 HEABMO O=c1n2ccccc2nn1CCC[NH+]1CCN(c2cccc(Br)c2)CC1 ZINC000077286446 568924190 /nfs/dbraw/zinc/92/41/90/568924190.db2.gz HNSTYKJQMWGCRU-UHFFFAOYSA-N 1 1 416.323 2.471 40 0 in-vitro HEABMO CC[NH+]1CCN(C(=O)c2nnc3sc(-c4ccccc4Br)nn32)CC1 ZINC000057354687 569063779 /nfs/dbraw/zinc/06/37/79/569063779.db2.gz PPHBCAAJGGVJRC-UHFFFAOYSA-N 1 1 421.324 2.393 40 0 HEABMO C[NH+]1CCN(N2CN=C3N[C@@H]([C@@H]4CC=CCC4)n4c5ccccc5nc4N3C2)CC1 ZINC000226313342 569284992 /nfs/dbraw/zinc/28/49/92/569284992.db2.gz ZGZGYXPDSCPVNJ-YLJYHZDGSA-N 1 1 406.538 2.050 40 0 HEABMO CC[NH+]1CCN(C(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000006953345 569335598 /nfs/dbraw/zinc/33/55/98/569335598.db2.gz OEIWUVVTESLTNT-UHFFFAOYSA-N 1 1 401.532 2.354 40 0 HEABMO Cn1nccc1C[N@H+]1CC[C@@H](c2c3cccnc3sc2C(=O)N2CCOCC2)C1 ZINC000019702744 569347488 /nfs/dbraw/zinc/34/74/88/569347488.db2.gz BLEHVOKLPKSDCB-OAHLLOKOSA-N 1 1 411.531 2.492 40 0 HEABMO C[NH+]1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)CC1 ZINC000034849366 569351576 /nfs/dbraw/zinc/35/15/76/569351576.db2.gz WNFFXPLCTSETSW-CYBMUJFWSA-N 1 1 420.362 2.168 40 0 HEABMO COc1ccc(C2(O)CC[NH+](CC(=O)NCCc3nc4ccccc4[nH]3)CC2)cc1 ZINC000012144517 569399768 /nfs/dbraw/zinc/39/97/68/569399768.db2.gz MLEGBDMYLMSJDH-UHFFFAOYSA-N 1 1 408.502 2.214 40 0 HEABMO C[N@H+](CCc1ccccc1)[C@H]1[C@@H](CNCc2cccc(Cl)c2)O[C@@H](CO)[C@H]1O ZINC000020465833 575368656 /nfs/dbraw/zinc/36/86/56/575368656.db2.gz AEHNFKJRMFLJNX-CLAROIROSA-N 1 1 404.938 2.093 40 0 biogenic,in-vitro HEABMO C[N@@H+](CCc1ccccc1)[C@H]1[C@@H](CNCc2cccc(Cl)c2)O[C@@H](CO)[C@H]1O ZINC000020465833 575368660 /nfs/dbraw/zinc/36/86/60/575368660.db2.gz AEHNFKJRMFLJNX-CLAROIROSA-N 1 1 404.938 2.093 40 0 biogenic,in-vitro HEABMO CC(=O)N1CCC([N@H+]2C[C@@H]3C[C@H]2C(=O)N(Cc2cccnc2)c2ccccc2O3)CC1 ZINC000096111837 291202649 /nfs/dbraw/zinc/20/26/49/291202649.db2.gz RMYXGNJOIVUDKL-UNMCSNQZSA-N 1 1 420.513 2.461 40 0 biogenic,in-vitro HEABMO CN1[C@@H]2CC[N@@H+](CC(C)(C)C)[C@@H]2C(=O)NC[C@@H]1CCC(=O)NCc1cccs1 ZINC000035442462 291205569 /nfs/dbraw/zinc/20/55/69/291205569.db2.gz ONFVXTCJQMHIDY-WDYCEAGBSA-N 1 1 406.596 2.064 40 0 biogenic,in-vitro HEABMO COc1ccc(C[NH+]2CCN(c3ccccc3[C@@H](O)c3nccn3C)CC2)cc1CO ZINC000012143367 132354878 /nfs/dbraw/zinc/35/48/78/132354878.db2.gz CUXDTVODOBQTPJ-HSZRJFAPSA-N 1 1 422.529 2.325 40 0 HEABMO Cc1nc([C@@H]2CCC[N@H+](CC(=O)N3CCC3)C2)nc2c1CC(=O)N2Cc1ccccc1 ZINC000019743690 558264220 /nfs/dbraw/zinc/26/42/20/558264220.db2.gz JUOZQIFWDKQUJO-LJQANCHMSA-N 1 1 419.529 2.286 40 0 HEABMO Cc1nc([C@@H]2CCC[N@@H+](CC(=O)N3CCC3)C2)nc2c1CC(=O)N2Cc1ccccc1 ZINC000019743690 558264223 /nfs/dbraw/zinc/26/42/23/558264223.db2.gz JUOZQIFWDKQUJO-LJQANCHMSA-N 1 1 419.529 2.286 40 0 HEABMO CC[NH+]1CCN(C(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)CC1 ZINC000023423206 558557971 /nfs/dbraw/zinc/55/79/71/558557971.db2.gz WIVFUQODMTVHSK-UHFFFAOYSA-N 1 1 401.532 2.042 40 0 HEABMO C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000068853001 558765956 /nfs/dbraw/zinc/76/59/56/558765956.db2.gz AXXZMTMQZQPZPV-MRXNPFEDSA-N 1 1 421.950 2.351 40 0 HEABMO O=C(C1CCCC1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@H+](C1CCOCC1)CC2 ZINC000019014537 558836637 /nfs/dbraw/zinc/83/66/37/558836637.db2.gz CNNGPTSYAZAVGW-IBGZPJMESA-N 1 1 400.523 2.161 40 0 HEABMO COC(=O)c1ccc(C)c(S(=O)(=O)NCc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000047266640 558842008 /nfs/dbraw/zinc/84/20/08/558842008.db2.gz XBVAVMNVNNDCDV-UHFFFAOYSA-N 1 1 418.515 2.092 40 0 HEABMO Cn1nccc1C[N@H+]1CCC[C@@H](c2nc(N3CCOCC3)ncc2-c2ccncc2)C1 ZINC000019289231 558862075 /nfs/dbraw/zinc/86/20/75/558862075.db2.gz ALYHRFNVUDBJKY-LJQANCHMSA-N 1 1 419.533 2.488 40 0 HEABMO CCS(=O)(=O)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2cccs2)CC3)C1 ZINC000019520311 558901214 /nfs/dbraw/zinc/90/12/14/558901214.db2.gz FYWFIXMTHBBLIW-CQSZACIVSA-N 1 1 422.576 2.331 40 0 HEABMO COc1cc(C[N@H+]2CCc3nc(-c4cccnc4)[nH]c(=O)c3CC2)cc(OC)c1OC ZINC000019549892 558914599 /nfs/dbraw/zinc/91/45/99/558914599.db2.gz QJONMBVJIOLPRL-UHFFFAOYSA-N 1 1 422.485 2.459 40 0 HEABMO C[N@H+]1C[C@@H](C(=O)Nc2ccc(F)cc2)C[C@@H]1C1CCN(C(=O)c2cnccn2)CC1 ZINC000019587623 558939863 /nfs/dbraw/zinc/93/98/63/558939863.db2.gz FSKVRIBFKQRMMP-OXJNMPFZSA-N 1 1 411.481 2.427 40 0 HEABMO COCCOc1cccc(C[N@H+]2CCc3nc(-c4ccncc4)[nH]c(=O)c3CC2)c1 ZINC000019593809 558944904 /nfs/dbraw/zinc/94/49/04/558944904.db2.gz XGXNXSJKZRIFKJ-UHFFFAOYSA-N 1 1 406.486 2.458 40 0 HEABMO CNc1nc([C@H]2CCC[N@@H+]2C)nc2c1CCN(S(=O)(=O)c1ccc(C)c(F)c1)C2 ZINC000019707291 558969702 /nfs/dbraw/zinc/96/97/02/558969702.db2.gz KBRBCAJZVCOWNY-GOSISDBHSA-N 1 1 419.526 2.480 40 0 HEABMO CNc1nc([C@H]2CCC[N@H+]2C)nc2c1CCN(S(=O)(=O)c1ccc(C)c(F)c1)C2 ZINC000019707291 558969703 /nfs/dbraw/zinc/96/97/03/558969703.db2.gz KBRBCAJZVCOWNY-GOSISDBHSA-N 1 1 419.526 2.480 40 0 HEABMO CNc1nc([C@H]2CCC[N@@H+](C)C2)nc2c1CCN(S(=O)(=O)c1ccccc1)C2 ZINC000019708713 558971013 /nfs/dbraw/zinc/97/10/13/558971013.db2.gz ACEMXKJWBCQOJY-HNNXBMFYSA-N 1 1 401.536 2.075 40 0 HEABMO CNc1nc([C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)nc2c1CC[N@H+](C)C2 ZINC000019708627 558971060 /nfs/dbraw/zinc/97/10/60/558971060.db2.gz CLZHUCYMQCHEHR-KRWDZBQOSA-N 1 1 405.499 2.171 40 0 HEABMO CNc1nc([C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)nc2c1CC[N@@H+](C)C2 ZINC000019708627 558971061 /nfs/dbraw/zinc/97/10/61/558971061.db2.gz CLZHUCYMQCHEHR-KRWDZBQOSA-N 1 1 405.499 2.171 40 0 HEABMO CC(=O)N1CCc2nc([C@H]3CCC[N@H+](C)C3)nc(NCc3ccc(CO)cc3)c2C1 ZINC000019711301 558973347 /nfs/dbraw/zinc/97/33/47/558973347.db2.gz SULAUURQAKKGDD-IBGZPJMESA-N 1 1 409.534 2.295 40 0 HEABMO COC[C@H]1CC2(C[N@H+]1Cc1cccnc1)CCN(C(=O)CCc1cncnc1)CC2 ZINC000585103252 559026504 /nfs/dbraw/zinc/02/65/04/559026504.db2.gz AWUKOVWDJZWHEU-OAQYLSRUSA-N 1 1 409.534 2.334 40 0 HEABMO Cc1ccc(OCC(=O)N2CCC3(CO[C@H](C[N@@H+]4CC[C@@H](C)[C@H](O)C4)C3)CC2)cc1 ZINC000585104905 559027500 /nfs/dbraw/zinc/02/75/00/559027500.db2.gz WRJMJZWEJXRENH-BAGYTPMASA-N 1 1 416.562 2.474 40 0 HEABMO CC(C)CC[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc(N(C)C)cc2)CC1 ZINC000585106059 559028310 /nfs/dbraw/zinc/02/83/10/559028310.db2.gz INIKIXRGALJWFT-RTWAWAEBSA-N 1 1 412.578 2.451 40 0 HEABMO Cn1ccc(CC(=O)N2CCO[C@H](c3[nH+]cn4cc(-c5ccncc5)ccc34)C2)n1 ZINC000585113134 559031017 /nfs/dbraw/zinc/03/10/17/559031017.db2.gz HJNKPLAAYTVVFA-FQEVSTJZSA-N 1 1 402.458 2.272 40 0 HEABMO CC[N@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CCN(C(=O)c1cnccn1)CC3 ZINC000096036326 559090023 /nfs/dbraw/zinc/09/00/23/559090023.db2.gz AQDJKFCUIYFVLB-WMZHIEFXSA-N 1 1 411.550 2.053 40 0 HEABMO COCC[N@H+]1CC2(CCN(C(=O)c3ccc(Cl)cc3)CC2)[C@@]2(CCN(C)C2=O)C1 ZINC000096144027 559096385 /nfs/dbraw/zinc/09/63/85/559096385.db2.gz FUFADQSSROOLAJ-QFIPXVFZSA-N 1 1 419.953 2.373 40 0 HEABMO CN(C)S(=O)(=O)N1CCC2(CC1)C[N@@H+](Cc1ccccn1)Cc1ccccc12 ZINC000096242503 559104100 /nfs/dbraw/zinc/10/41/00/559104100.db2.gz GJXLLJKTWILXDR-UHFFFAOYSA-N 1 1 400.548 2.237 40 0 HEABMO CCN1CC[C@]2(C[N@@H+](CCOC)CC23CCN(C(=O)c2cccc(C)c2)CC3)C1=O ZINC000096262798 559106788 /nfs/dbraw/zinc/10/67/88/559106788.db2.gz VQRKKERRYJCVJZ-DEOSSOPVSA-N 1 1 413.562 2.418 40 0 HEABMO CN1CCN(C(=O)c2ccc3nnc([C@H]4CC[N@@H+](Cc5ccccc5)C4)n3c2)CC1 ZINC000096267515 559108190 /nfs/dbraw/zinc/10/81/90/559108190.db2.gz MYQXGJCJMAXCNO-IBGZPJMESA-N 1 1 404.518 2.106 40 0 HEABMO Cc1ccc(OCC2(O)CC[NH+](CC(=O)NCc3ccc4c(c3)OCO4)CC2)cc1 ZINC000585274794 559118773 /nfs/dbraw/zinc/11/87/73/559118773.db2.gz ZPLSILCABFAZGU-UHFFFAOYSA-N 1 1 412.486 2.246 40 0 HEABMO Cc1cccc(OC[C@@]2(O)CN(Cc3cccc(OCC[NH+](C)C)c3)CC[C@@H]2O)c1 ZINC000585282100 559119896 /nfs/dbraw/zinc/11/98/96/559119896.db2.gz HARDWZFJUAQUAF-ZEQRLZLVSA-N 1 1 414.546 2.312 40 0 HEABMO C[N@@H+](CCc1ccccc1)C[C@@]1(O)CCN(C(=O)c2ccc(Cl)cc2)C[C@@H]1O ZINC000585284999 559121490 /nfs/dbraw/zinc/12/14/90/559121490.db2.gz NAFSNKOBHHHXDD-UNMCSNQZSA-N 1 1 402.922 2.452 40 0 HEABMO O[C@H]1C[N@@H+](Cc2ccc(OCCn3cccn3)cc2)C[C@@H]1N1CCC(F)(F)CC1 ZINC000257320613 559282974 /nfs/dbraw/zinc/28/29/74/559282974.db2.gz VXOPPRHTYANQLK-PMACEKPBSA-N 1 1 406.477 2.238 40 0 HEABMO O[C@H]1CN(Cc2ccc(OCCn3cccn3)cc2)C[C@@H]1[NH+]1CCC(F)(F)CC1 ZINC000257320613 559282976 /nfs/dbraw/zinc/28/29/76/559282976.db2.gz VXOPPRHTYANQLK-PMACEKPBSA-N 1 1 406.477 2.238 40 0 HEABMO NC(=O)[C@@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1OCC[NH+]1CCCC1 ZINC000257232056 559283885 /nfs/dbraw/zinc/28/38/85/559283885.db2.gz GJGHYJGNMQBSSA-QHCPKHFHSA-N 1 1 422.573 2.333 40 0 HEABMO COc1cc(OC)c([C@@H]2[NH+]=C(N3CCCCC3)Nc3nc(C)cc(=O)n32)cc1OC ZINC000009289419 560757823 /nfs/dbraw/zinc/75/78/23/560757823.db2.gz TYRXUOQNHRBTMB-LJQANCHMSA-N 1 1 413.478 2.392 40 0 HEABMO CC[NH+]1CCN(C(=O)c2ccc(N(C)S(=O)(=O)c3ccc(OC)cc3)cc2)CC1 ZINC000113936353 560806377 /nfs/dbraw/zinc/80/63/77/560806377.db2.gz LQSYQYXTFIGBIR-UHFFFAOYSA-N 1 1 417.531 2.298 40 0 HEABMO Cc1ccc(S(=O)(=O)NCCC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000020476546 560882775 /nfs/dbraw/zinc/88/27/75/560882775.db2.gz AUNPKXIFPZTBBO-UHFFFAOYSA-N 1 1 401.532 2.008 40 0 HEABMO Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)NCCC[NH+]2CCCCC2)s1 ZINC000223222327 568541509 /nfs/dbraw/zinc/54/15/09/568541509.db2.gz QCRILOZEOWFOFB-UHFFFAOYSA-N 1 1 423.564 2.253 40 0 HEABMO Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)NCCC[NH+]3CCCCC3)s2)c1 ZINC000225844294 568679963 /nfs/dbraw/zinc/67/99/63/568679963.db2.gz MYKALXOIKGISAY-UHFFFAOYSA-N 1 1 423.564 2.253 40 0 HEABMO CN(C(=O)c1cc(-c2ccc(F)cc2)on1)[C@@H]1CCC[C@@H]([NH+]2CCOCC2)[C@@H]1O ZINC000257238479 568787185 /nfs/dbraw/zinc/78/71/85/568787185.db2.gz HLDSVBLBBQDKJX-QWFCFKBJSA-N 1 1 403.454 2.167 40 0 HEABMO O=C(NCc1cccs1)c1nnc2n1CCN1CC[N@@H+](Cc3cccs3)C[C@H]21 ZINC000306123939 568887114 /nfs/dbraw/zinc/88/71/14/568887114.db2.gz BAZKALLVGPKVST-MRXNPFEDSA-N 1 1 414.560 2.204 40 0 HEABMO O=C(NCc1cccs1)c1nnc2n1CCN1CC[N@H+](Cc3cccs3)C[C@H]21 ZINC000306123939 568887117 /nfs/dbraw/zinc/88/71/17/568887117.db2.gz BAZKALLVGPKVST-MRXNPFEDSA-N 1 1 414.560 2.204 40 0 HEABMO Cn1ccc(C(=O)N2Cc3sc(N4CC[NH+](C)CC4)nc3-c3ccccc3C2)n1 ZINC000306124276 568887290 /nfs/dbraw/zinc/88/72/90/568887290.db2.gz BLLMSYFZBGFQAO-UHFFFAOYSA-N 1 1 408.531 2.451 40 0 HEABMO O=c1c(=O)n(Cc2ccc(F)cc2)nc2n1C[C@]1(CC[N@@H+](Cc3cccs3)C1)C2 ZINC000306125484 568888310 /nfs/dbraw/zinc/88/83/10/568888310.db2.gz CSGUAHRZBAGESA-OAQYLSRUSA-N 1 1 412.490 2.102 40 0 HEABMO O=c1c(=O)n(Cc2ccc(F)cc2)nc2n1C[C@@]1(CC[N@@H+](Cc3cccs3)C1)C2 ZINC000306125483 568888364 /nfs/dbraw/zinc/88/83/64/568888364.db2.gz CSGUAHRZBAGESA-NRFANRHFSA-N 1 1 412.490 2.102 40 0 HEABMO CCOc1cc(C[N@@H+]2CCOC[C@@]3(CC[C@@H](CN4CCCC4=O)O3)C2)ccc1O ZINC000306127478 568890311 /nfs/dbraw/zinc/89/03/11/568890311.db2.gz FZHPLYZTBLWHFM-PGRDOPGGSA-N 1 1 404.507 2.163 40 0 HEABMO CCOc1cc(C[N@H+]2CCOC[C@@]3(CC[C@@H](CN4CCCC4=O)O3)C2)ccc1O ZINC000306127478 568890313 /nfs/dbraw/zinc/89/03/13/568890313.db2.gz FZHPLYZTBLWHFM-PGRDOPGGSA-N 1 1 404.507 2.163 40 0 HEABMO COCCN1CC[C@@]2(C[N@@H+](Cc3nccs3)C[C@@H]2c2cn(C(C)C)cn2)C1=O ZINC000306128330 568891244 /nfs/dbraw/zinc/89/12/44/568891244.db2.gz GXJPQWJAFYEERE-UZLBHIALSA-N 1 1 403.552 2.385 40 0 HEABMO COc1ncccc1C[N@@H+]1C[C@H]2Cc3nnc(C(=O)Nc4ccccc4)n3C[C@@H]2C1 ZINC000306134896 568896661 /nfs/dbraw/zinc/89/66/61/568896661.db2.gz OAXNZVPTDXQVMK-SJORKVTESA-N 1 1 404.474 2.238 40 0 HEABMO CCn1cc(C[N@@H+]2C[C@@H]3Cc4nnc(C(=O)Nc5cccc(F)c5)n4C[C@H]3C2)cn1 ZINC000306138375 568900372 /nfs/dbraw/zinc/90/03/72/568900372.db2.gz RWBDCQSKOVOPAW-JKSUJKDBSA-N 1 1 409.469 2.190 40 0 HEABMO CN(Cc1ccccc1)C(=O)[C@@H]1CN(C)CC2(CC[NH+](Cc3cccnc3)CC2)O1 ZINC000306141359 568902977 /nfs/dbraw/zinc/90/29/77/568902977.db2.gz VTAWNOJXILTURM-QFIPXVFZSA-N 1 1 408.546 2.405 40 0 HEABMO CC[NH+]1CCN(C(=O)c2nnc3sc(-c4cccc(Br)c4)nn32)CC1 ZINC000057354676 569063772 /nfs/dbraw/zinc/06/37/72/569063772.db2.gz KKMNVNNUNUGUCW-UHFFFAOYSA-N 1 1 421.324 2.393 40 0 HEABMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)[C@H]1CC[C@H](Cn2cnnn2)CC1 ZINC000524732090 569291572 /nfs/dbraw/zinc/29/15/72/569291572.db2.gz WSHZHCSWFTULAL-XSDIEEQYSA-N 1 1 418.586 2.219 40 0 HEABMO C[N@@H+]1CCN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)[C@@H](c2ccccc2)C1 ZINC000019589338 569345799 /nfs/dbraw/zinc/34/57/99/569345799.db2.gz HXVKSZUKOLCVNJ-AZUAARDMSA-N 1 1 421.497 2.326 40 0 HEABMO C[N@H+]1CCN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)[C@@H](c2ccccc2)C1 ZINC000019589338 569345800 /nfs/dbraw/zinc/34/58/00/569345800.db2.gz HXVKSZUKOLCVNJ-AZUAARDMSA-N 1 1 421.497 2.326 40 0 HEABMO NS(=O)(=O)c1ccc2c(c1)CN(c1cc(C3CC3)[nH+]c(NC3CCCC3)n1)CC2 ZINC000328998066 571305678 /nfs/dbraw/zinc/30/56/78/571305678.db2.gz JRYSDXWTCNQLHJ-UHFFFAOYSA-N 1 1 413.547 2.919 40 0 HEABMO COc1ccc(NC(=O)c2cnc(C3CC[NH+](CC(=O)N(C)C)CC3)nc2C)cc1 ZINC000072345593 524650064 /nfs/dbraw/zinc/65/00/64/524650064.db2.gz PQYFMZOGYBCNKS-UHFFFAOYSA-N 1 1 411.506 2.314 40 0 HEABMO CC[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)CC1 ZINC000408562223 557460882 /nfs/dbraw/zinc/46/08/82/557460882.db2.gz YHMQDXRQBKPZRD-UHFFFAOYSA-N 1 1 415.559 2.405 40 0 HEABMO Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCCC[NH+]1CCOCC1 ZINC000020061713 558329380 /nfs/dbraw/zinc/32/93/80/558329380.db2.gz IICYVGKSLOXKAQ-UHFFFAOYSA-N 1 1 423.579 2.012 40 0 HEABMO Cc1[nH+]ccn1Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000030947313 558746724 /nfs/dbraw/zinc/74/67/24/558746724.db2.gz NBFZXYNBUCZZFI-UHFFFAOYSA-N 1 1 424.526 2.387 40 0 HEABMO CCc1nc2nc3ccn(CCC[NH+]4CCOCC4)c(=O)c3c(-c3ccccc3)n2n1 ZINC000038828714 558815996 /nfs/dbraw/zinc/81/59/96/558815996.db2.gz WSZYZIZDFDUNLE-UHFFFAOYSA-N 1 1 418.501 2.391 40 0 HEABMO Cc1cc(-c2cnc(N3CC[NH+](C)CC3)nc2C2CCN(c3cnccn3)CC2)on1 ZINC000019123310 558844011 /nfs/dbraw/zinc/84/40/11/558844011.db2.gz ONXRIRBOTSZDTH-UHFFFAOYSA-N 1 1 420.521 2.366 40 0 HEABMO COc1cc(C[N@H+]2CCC[C@H](c3cc(N)n4nc(C)cc4n3)C2)ccc1OCCO ZINC000019129270 558845184 /nfs/dbraw/zinc/84/51/84/558845184.db2.gz GKAFVEYSKJHPSI-KRWDZBQOSA-N 1 1 411.506 2.379 40 0 HEABMO Cc1[nH+]ccn1C[C@H](C)C(=O)N1CCC(C(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000019287666 558861065 /nfs/dbraw/zinc/86/10/65/558861065.db2.gz UXUOBXFWQJXQGD-AWEZNQCLSA-N 1 1 410.474 2.280 40 0 HEABMO C[C@@H]1CCC[N@@H+](CC(C)(C)NC(=O)c2cc(C3CC3)n([C@@H]3CCS(=O)(=O)C3)n2)C1 ZINC000019496538 558895539 /nfs/dbraw/zinc/89/55/39/558895539.db2.gz SICLQQZOPMUEEB-NVXWUHKLSA-N 1 1 422.595 2.360 40 0 HEABMO COc1ccc2c(c1)c(C[NH+]1CCN(CCOc3ccccc3)CC1)cn2CC(N)=O ZINC000019563253 558923425 /nfs/dbraw/zinc/92/34/25/558923425.db2.gz OSLSZVMHRRBDDR-UHFFFAOYSA-N 1 1 422.529 2.332 40 0 HEABMO CN(C)c1ncc2c(cc(C3CCN(C(=O)c4ccc(C[NH+](C)C)o4)CC3)[nH]c2=O)n1 ZINC000072341516 558940069 /nfs/dbraw/zinc/94/00/69/558940069.db2.gz MUBLWZDHJVGUFL-UHFFFAOYSA-N 1 1 424.505 2.471 40 0 HEABMO CNc1nc([C@H]2CCCN2S(=O)(=O)c2ccc(C)c(F)c2)nc2c1CC[N@H+](C)C2 ZINC000019707285 558969460 /nfs/dbraw/zinc/96/94/60/558969460.db2.gz YUTMOKUFEQLCRI-GOSISDBHSA-N 1 1 419.526 2.480 40 0 HEABMO CNc1nc([C@H]2CCCN2S(=O)(=O)c2ccc(C)c(F)c2)nc2c1CC[N@@H+](C)C2 ZINC000019707285 558969462 /nfs/dbraw/zinc/96/94/62/558969462.db2.gz YUTMOKUFEQLCRI-GOSISDBHSA-N 1 1 419.526 2.480 40 0 HEABMO CNc1nc([C@@H]2CCC[N@@H+](C)C2)nc2c1CCN(S(=O)(=O)c1ccc(F)cc1)C2 ZINC000019708716 558971031 /nfs/dbraw/zinc/97/10/31/558971031.db2.gz FMAMXNFFTAOXJI-CQSZACIVSA-N 1 1 419.526 2.214 40 0 HEABMO CNc1nc([C@@H]2CCC[N@@H+](C)C2)nc2c1CN(S(=O)(=O)c1ccccc1)CC2 ZINC000019710299 558972080 /nfs/dbraw/zinc/97/20/80/558972080.db2.gz YLFNODMAJUUHKF-OAHLLOKOSA-N 1 1 401.536 2.075 40 0 HEABMO O=C([C@H]1CC(=O)N(Cc2cccc(F)c2)C1)N1CCC[N@H+](Cc2ccccn2)CC1 ZINC000019713985 558973689 /nfs/dbraw/zinc/97/36/89/558973689.db2.gz FVKGIDCJPHZUFN-IBGZPJMESA-N 1 1 410.493 2.304 40 0 HEABMO O=C([C@H]1CC(=O)N(Cc2cccc(F)c2)C1)N1CCC[N@@H+](Cc2ccccn2)CC1 ZINC000019713985 558973691 /nfs/dbraw/zinc/97/36/91/558973691.db2.gz FVKGIDCJPHZUFN-IBGZPJMESA-N 1 1 410.493 2.304 40 0 HEABMO Cc1[nH+]c2cc3c(cc2n1CC(=O)Nc1cccc(Cn2cncn2)c1)OCCO3 ZINC000019718226 558981466 /nfs/dbraw/zinc/98/14/66/558981466.db2.gz ZKMZCZSCSRRQQS-UHFFFAOYSA-N 1 1 404.430 2.394 40 0 HEABMO CC(C)C[N@H+]1CC2(CCN(C(=O)Cc3ccc(F)cn3)CC2)[C@@]2(CCN(C)C2=O)C1 ZINC000585091847 559022955 /nfs/dbraw/zinc/02/29/55/559022955.db2.gz PYMKIMMRKMZKJW-QHCPKHFHSA-N 1 1 416.541 2.192 40 0 HEABMO Cc1nc(C)c(C[N@@H+]2C[C@@H](C(=O)N(C)Cc3ncccn3)C3(C2)CCOCC3)s1 ZINC000585101914 559025044 /nfs/dbraw/zinc/02/50/44/559025044.db2.gz JVIMHPNCYIHQND-KRWDZBQOSA-N 1 1 415.563 2.437 40 0 HEABMO COc1cc(OC)cc(C(=O)N2CCC3(CO[C@H](C[NH+]4CC(C)(OC)C4)C3)CC2)c1 ZINC000585104267 559027018 /nfs/dbraw/zinc/02/70/18/559027018.db2.gz OWYUWXLSCVPHHF-FQEVSTJZSA-N 1 1 418.534 2.436 40 0 HEABMO C[N@@H+](C[C@H]1CC2(CO1)CCN(S(=O)(=O)c1ccccc1)CC2)[C@H]1CC[C@H](O)CC1 ZINC000585105115 559027634 /nfs/dbraw/zinc/02/76/34/559027634.db2.gz YLFMBDDSFLXPSI-VAMGGRTRSA-N 1 1 422.591 2.482 40 0 HEABMO Cc1ccc(C2(C(=O)N3CCC4(CC3)NC(=O)[C@@H]3C[N@@H+](CC5CC5)C[C@@H]34)CC2)cc1 ZINC000585106085 559028434 /nfs/dbraw/zinc/02/84/34/559028434.db2.gz KOPTVLGXSBERSC-RTWAWAEBSA-N 1 1 407.558 2.476 40 0 HEABMO COc1ccc(-c2ccc3c([C@@H]4CN(C(=O)c5ncn(C)n5)CCO4)[nH+]cn3c2)cc1 ZINC000585113178 559031117 /nfs/dbraw/zinc/03/11/17/559031117.db2.gz XIBSHOAXYLXDOO-IBGZPJMESA-N 1 1 418.457 2.352 40 0 HEABMO COC(=O)[C@@]1(C)C[C@@H]([N@@H+](C)Cc2ccccc2)CCN1C(=O)c1cccn(C)c1=O ZINC000585113246 559031127 /nfs/dbraw/zinc/03/11/27/559031127.db2.gz TWLBDFAUOIGKCB-FDDCHVKYSA-N 1 1 411.502 2.054 40 0 HEABMO CC(C)N1CC[N@@H+](CC2CC2)C[C@@H]1c1nnc2ccc(C(=O)NCC(F)(F)F)cn21 ZINC000096156795 559100712 /nfs/dbraw/zinc/10/07/12/559100712.db2.gz BQRFRKXZVDAMJE-MRXNPFEDSA-N 1 1 424.471 2.499 40 0 HEABMO CC(C)c1ccc(S(=O)(=O)N2CCC3(C[C@@H](N4CC[NH+](C)CC4)CO3)CC2)cc1 ZINC000096220844 559102051 /nfs/dbraw/zinc/10/20/51/559102051.db2.gz LRSJEZCPBLQORY-HXUWFJFHSA-N 1 1 421.607 2.370 40 0 HEABMO C[N@@H+](Cc1ccccc1)[C@@H]1[C@@H](O)[C@H](Oc2cccc(F)c2)C[C@H]1NC(=O)c1cn[nH]c1 ZINC000585262438 559111057 /nfs/dbraw/zinc/11/10/57/559111057.db2.gz JLDAJGDBTPIHCQ-CZYKHXBRSA-N 1 1 424.476 2.360 40 0 HEABMO CCCc1cnc(Nc2ccnc(C3CCN(C(=O)[C@@H]4COCC[NH2+]4)CC3)n2)s1 ZINC000585262910 559111637 /nfs/dbraw/zinc/11/16/37/559111637.db2.gz DHZABUODDXFCAP-INIZCTEOSA-N 1 1 416.551 2.324 40 0 HEABMO COc1ccccc1CNC(=O)C[NH+]1CCC(O)(COc2ccc(F)cc2)CC1 ZINC000585272298 559117978 /nfs/dbraw/zinc/11/79/78/559117978.db2.gz HNWDCMQUFCBAJR-UHFFFAOYSA-N 1 1 402.466 2.356 40 0 HEABMO Cc1cccc(N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)S(C)(=O)=O)c1 ZINC000044791163 559173199 /nfs/dbraw/zinc/17/31/99/559173199.db2.gz LHWJHOWILFNRSC-UHFFFAOYSA-N 1 1 401.532 2.105 40 0 HEABMO CC[NH+]1CCN(C(=O)CCCN(c2cccc(Cl)c2C)S(C)(=O)=O)CC1 ZINC000113964763 559184154 /nfs/dbraw/zinc/18/41/54/559184154.db2.gz OMLZDHNOROSJIG-UHFFFAOYSA-N 1 1 401.960 2.359 40 0 HEABMO C[N@H+](Cc1ccc(OCC(=O)N2CCOCC2)cc1)C[C@@H](O)COC1CCCCC1 ZINC000257282940 559285371 /nfs/dbraw/zinc/28/53/71/559285371.db2.gz OVZKADQWVIXECO-HXUWFJFHSA-N 1 1 420.550 2.066 40 0 HEABMO C=C1[NH+]=C(SCC(=O)OC)N[C@@H](c2ccc(OC)cc2OC)C1C(=O)OCC ZINC000408991644 560662281 /nfs/dbraw/zinc/66/22/81/560662281.db2.gz QUHNHWRIXSUWJP-KRWDZBQOSA-N 1 1 408.476 2.447 40 0 HEABMO Cc1ccc(NC(=O)[C@@H]2CC(=O)NC(N3CC[NH+](Cc4ccccc4)CC3)=N2)c(C)c1 ZINC000014606991 560846744 /nfs/dbraw/zinc/84/67/44/560846744.db2.gz SJAAHZVELDPEST-NRFANRHFSA-N 1 1 419.529 2.304 40 0 HEABMO CC[NH+]1CCN([C@@H](c2nnnn2Cc2ccco2)c2cccc(OC)c2OC)CC1 ZINC000019528047 560874667 /nfs/dbraw/zinc/87/46/67/560874667.db2.gz SOJXGNDKQPFHNF-LJQANCHMSA-N 1 1 412.494 2.059 40 0 HEABMO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CC[NH+](C)CC3)cc2c1 ZINC000019826010 560876039 /nfs/dbraw/zinc/87/60/39/560876039.db2.gz MWCOMQTXFFEHFD-FQEVSTJZSA-N 1 1 407.522 2.275 40 0 HEABMO CCC(C)(C)n1nnnc1[C@H](c1cc2cc(C)ccc2[nH]c1=O)N1CC[NH+](C)CC1 ZINC000019941357 560877245 /nfs/dbraw/zinc/87/72/45/560877245.db2.gz GMXMGNWSKQRONU-IBGZPJMESA-N 1 1 409.538 2.305 40 0 HEABMO CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)NCCC[NH+]2CCCCCC2)s1 ZINC000222595850 568519817 /nfs/dbraw/zinc/51/98/17/568519817.db2.gz FVTKLXCXDRUCSA-UHFFFAOYSA-N 1 1 403.574 2.067 40 0 HEABMO COCCNC(=O)c1sc2nccnc2c1[C@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000257234928 568786049 /nfs/dbraw/zinc/78/60/49/568786049.db2.gz GVQNZYNGLUTMKZ-AWEZNQCLSA-N 1 1 404.536 2.426 40 0 HEABMO C[NH+]1CCN(C(=O)C[C@H]2CN(C(=O)CC3CC3)CC[C@@H]2Oc2ccc(F)cc2)CC1 ZINC000257235503 568786349 /nfs/dbraw/zinc/78/63/49/568786349.db2.gz GYDDDDLGLIXPOG-RXVVDRJESA-N 1 1 417.525 2.386 40 0 HEABMO CCc1[nH]c(CN2CCO[C@@](COc3cccc(Cl)c3)(CC(N)=O)C2)c(C)[nH+]1 ZINC000257246127 568789052 /nfs/dbraw/zinc/78/90/52/568789052.db2.gz ISPGAKLOAWBTJZ-FQEVSTJZSA-N 1 1 406.914 2.459 40 0 HEABMO CC(=O)N1CC[NH+]([C@@H]2CCC[C@@H](NC(=O)c3oc4cc(C)ccc4c3C)[C@H]2O)CC1 ZINC000257257387 568792276 /nfs/dbraw/zinc/79/22/76/568792276.db2.gz KPJVRDOIRMUQNW-SFHLNBCPSA-N 1 1 413.518 2.226 40 0 HEABMO NC(=O)[C@@]1(c2ccccn2)CCC[N@@H+](CC2(O)CCN(c3cccc(F)c3)CC2)C1 ZINC000257287861 568800776 /nfs/dbraw/zinc/80/07/76/568800776.db2.gz PRTYKLXOOCKKGL-QHCPKHFHSA-N 1 1 412.509 2.071 40 0 HEABMO Cn1cc(C[N@H+]2C[C@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccsc2)C3=O)cn1 ZINC000306129744 568892314 /nfs/dbraw/zinc/89/23/14/568892314.db2.gz ILNYPYIGQQHAJV-IFMALSPDSA-N 1 1 423.542 2.274 40 0 HEABMO O=c1c(=O)n2c(nn1CC1CCCCC1)CO[C@@]1(CC[N@@H+](Cc3ccsc3)C1)C2 ZINC000306132962 568895184 /nfs/dbraw/zinc/89/51/84/568895184.db2.gz LXPDAFYZVZBHSF-OAQYLSRUSA-N 1 1 416.547 2.222 40 0 HEABMO O=c1c(=O)n(C2CCCC2)nc2n1C[C@]1(CC[N@@H+](Cc3cccc(Cl)c3)C1)OC2 ZINC000306134389 568896281 /nfs/dbraw/zinc/89/62/81/568896281.db2.gz NLNTYQYDZTYKDA-OAQYLSRUSA-N 1 1 416.909 2.348 40 0 HEABMO O=c1c(=O)n(C2CCCC2)nc2n1C[C@]1(CC[N@H+](Cc3cccc(Cl)c3)C1)OC2 ZINC000306134389 568896284 /nfs/dbraw/zinc/89/62/84/568896284.db2.gz NLNTYQYDZTYKDA-OAQYLSRUSA-N 1 1 416.909 2.348 40 0 HEABMO CCn1cc(C[N@H+]2C[C@@H]3Cn4c(nnc4C(=O)Nc4cccc(F)c4)C[C@@H]3C2)cn1 ZINC000306138374 568900399 /nfs/dbraw/zinc/90/03/99/568900399.db2.gz RWBDCQSKOVOPAW-HZPDHXFCSA-N 1 1 409.469 2.190 40 0 HEABMO O=C1N(Cc2ccncc2)CCO[C@]12C[N@@H+](Cc1ccccn1)C[C@H]2c1cccnc1 ZINC000306141369 568903077 /nfs/dbraw/zinc/90/30/77/568903077.db2.gz VTDSFOBHQAYXQL-UPVQGACJSA-N 1 1 415.497 2.269 40 0 HEABMO CCOc1cc(C[N@@H+]2C[C@@H]3ON=C(c4ccc(C)cc4)[C@@H]3C2)ccc1OCC(N)=O ZINC000012275565 569344803 /nfs/dbraw/zinc/34/48/03/569344803.db2.gz MPSLNPDDWIQUFU-NQIIRXRSSA-N 1 1 409.486 2.493 40 0 HEABMO CCOc1cc(C[N@H+]2C[C@@H]3ON=C(c4ccc(C)cc4)[C@@H]3C2)ccc1OCC(N)=O ZINC000012275565 569344804 /nfs/dbraw/zinc/34/48/04/569344804.db2.gz MPSLNPDDWIQUFU-NQIIRXRSSA-N 1 1 409.486 2.493 40 0 HEABMO CC[NH+]1CCN(C(=O)[C@]2(Cc3cc(-c4ccccc4)no3)CCN(C(C)=O)C2)CC1 ZINC000019703516 569347526 /nfs/dbraw/zinc/34/75/26/569347526.db2.gz FBNVWHBGGKQZNZ-QHCPKHFHSA-N 1 1 410.518 2.287 40 0 HEABMO CC[C@H](C)Nc1nc(N2CCc3ccc(S(N)(=O)=O)cc3C2)cc(C2CC2)[nH+]1 ZINC000329029208 571309528 /nfs/dbraw/zinc/30/95/28/571309528.db2.gz PYDKUCXSLNRDSB-ZDUSSCGKSA-N 1 1 401.536 2.775 40 0 HEABMO CC(=O)c1ccc(NC(=O)NC[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3CN2CCOCC2)cc1 ZINC000020503806 291203259 /nfs/dbraw/zinc/20/32/59/291203259.db2.gz FRRZHVCEFNDZBO-IRFCIJBXSA-N 1 1 400.523 2.053 40 0 biogenic,in-vitro HEABMO COc1ccc(CN2C[C@@H]3C[N@H+](C4CCN(C(C)=O)CC4)CCN3C(C)(C)C2)cc1 ZINC000253398956 291208287 /nfs/dbraw/zinc/20/82/87/291208287.db2.gz HVYSMTPEWHBWRO-JOCHJYFZSA-N 1 1 414.594 2.287 40 0 biogenic,in-vitro HEABMO COc1ccc(C[N@@H+]2C[C@@H]3CN(C4CCN(C(C)=O)CC4)CCN3C(C)(C)C2)cc1 ZINC000253398956 291208289 /nfs/dbraw/zinc/20/82/89/291208289.db2.gz HVYSMTPEWHBWRO-JOCHJYFZSA-N 1 1 414.594 2.287 40 0 biogenic,in-vitro HEABMO COc1ccc(C[N@H+]2C[C@@H]3CN(C4CCN(C(C)=O)CC4)CCN3C(C)(C)C2)cc1 ZINC000253398956 291208291 /nfs/dbraw/zinc/20/82/91/291208291.db2.gz HVYSMTPEWHBWRO-JOCHJYFZSA-N 1 1 414.594 2.287 40 0 biogenic,in-vitro HEABMO O[C@H]1CC[C@@H](Cc2cc(CN3CCCCC3)on2)O[C@@H]1C[NH2+]Cc1cccnc1 ZINC000096296051 291213933 /nfs/dbraw/zinc/21/39/33/291213933.db2.gz SLQNGGTZTRSVDP-ILWGZMRPSA-N 1 1 400.523 2.296 40 0 biogenic,in-vitro HEABMO O=C(C[N@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)N1CCc2[nH]c3ccccc3c2C1 ZINC000002126679 557316205 /nfs/dbraw/zinc/31/62/05/557316205.db2.gz KYJQSBPGHQUQST-SJORKVTESA-N 1 1 402.498 2.334 40 0 HEABMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1cccc(C)c1 ZINC000408710086 557737459 /nfs/dbraw/zinc/73/74/59/557737459.db2.gz OCPWRGAWCHRESO-LJQANCHMSA-N 1 1 422.529 2.464 40 0 HEABMO CS(=O)(=O)N1CCCC[C@@H]1C1CC[NH+](Cc2ccnc(N3CCCC3)n2)CC1 ZINC000019747016 558266744 /nfs/dbraw/zinc/26/67/44/558266744.db2.gz RCPQFKJQPMTZPC-LJQANCHMSA-N 1 1 407.584 2.103 40 0 HEABMO CN(C)C(=O)c1cn(C)nc1CC1CC[NH+](CC(=O)Nc2ccc(F)cc2)CC1 ZINC000019756270 558274384 /nfs/dbraw/zinc/27/43/84/558274384.db2.gz KHKFZXFFXZILSA-UHFFFAOYSA-N 1 1 401.486 2.154 40 0 HEABMO CN(C)c1ncccc1C[N@H+]1CC[C@@H](c2cc(C(=O)NCCO)c3ccccc3n2)C1 ZINC000019761758 558276880 /nfs/dbraw/zinc/27/68/80/558276880.db2.gz GCDGBTZAGLUWSL-QGZVFWFLSA-N 1 1 419.529 2.407 40 0 HEABMO Cn1nccc1C[N@H+]1CC[C@H](c2cc(C(=O)N3CCOCC3)c3ccccc3n2)C1 ZINC000019762701 558277220 /nfs/dbraw/zinc/27/72/20/558277220.db2.gz KYUHJSOSAARTNL-KRWDZBQOSA-N 1 1 405.502 2.430 40 0 HEABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1 ZINC000020244485 558351000 /nfs/dbraw/zinc/35/10/00/558351000.db2.gz XJMLUYDLSFERDC-GOSISDBHSA-N 1 1 410.584 2.314 40 0 HEABMO COc1ccc(S(=O)(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1N1CCCC1=O ZINC000020495057 558380170 /nfs/dbraw/zinc/38/01/70/558380170.db2.gz CIRHWBXOOKCECU-CALCHBBNSA-N 1 1 423.579 2.468 40 0 HEABMO Cc1nc(-c2ccccc2)c(CC(=O)N(CC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)s1 ZINC000012360904 558387109 /nfs/dbraw/zinc/38/71/09/558387109.db2.gz FKYNBVHKELBJPO-KRWDZBQOSA-N 1 1 421.588 2.238 40 0 HEABMO O=C(C[C@H]1C=CCC1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@H+](C1CCOCC1)CC2 ZINC000019014476 558836556 /nfs/dbraw/zinc/83/65/56/558836556.db2.gz PJHRBTUYFGMKHG-OXJNMPFZSA-N 1 1 412.534 2.327 40 0 HEABMO O=C([C@@H]1CCOC1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](CC1CCCCC1)CC2 ZINC000019014807 558836909 /nfs/dbraw/zinc/83/69/09/558836909.db2.gz BEXGEKOKCRXIII-YLJYHZDGSA-N 1 1 414.550 2.408 40 0 HEABMO CC(C)C(=O)N1CCCc2cc([C@@H](O)C[NH+]3CCN(c4ncccn4)CC3)ccc21 ZINC000019085763 558841466 /nfs/dbraw/zinc/84/14/66/558841466.db2.gz RFMSKQPSWBFAFC-NRFANRHFSA-N 1 1 409.534 2.267 40 0 HEABMO O=C([C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1ccnc(N2CCCC2)n1)N1CCOCC1 ZINC000019372454 558879804 /nfs/dbraw/zinc/87/98/04/558879804.db2.gz FNIQQVGYQDAQFA-SFTDATJTSA-N 1 1 421.545 2.151 40 0 HEABMO O=C(C[N@@H+]1CCc2ccccc2C1)N1CCO[C@H](c2nc(-c3ccncc3)no2)C1 ZINC000019375376 558881515 /nfs/dbraw/zinc/88/15/15/558881515.db2.gz RZDDQFJINFEJMJ-IBGZPJMESA-N 1 1 405.458 2.090 40 0 HEABMO O=C(C[N@H+]1CCc2ccccc2C1)N1CCO[C@H](c2nc(-c3ccncc3)no2)C1 ZINC000019375376 558881518 /nfs/dbraw/zinc/88/15/18/558881518.db2.gz RZDDQFJINFEJMJ-IBGZPJMESA-N 1 1 405.458 2.090 40 0 HEABMO CC(C)[C@H](NC(=O)c1ccc2ncccc2c1)c1cc(=O)[nH]c(N2CC[NH+](C)CC2)n1 ZINC000019445529 558885588 /nfs/dbraw/zinc/88/55/88/558885588.db2.gz UOULZHLEOCKYHC-NRFANRHFSA-N 1 1 420.517 2.197 40 0 HEABMO CCCC(=O)N1CCc2nc([C@H]3CCC[N@@H+](Cc4cnn(CC)c4)C3)[nH]c(=O)c2C1 ZINC000019501603 558899626 /nfs/dbraw/zinc/89/96/26/558899626.db2.gz FOBIOOBIKIRSPW-KRWDZBQOSA-N 1 1 412.538 2.051 40 0 HEABMO CCOc1ncc(C2(O)[C@@H]3CCC[C@H]2C[N@H+](Cc2cnc(C)nc2)C3)c(OCC)n1 ZINC000019531665 558912143 /nfs/dbraw/zinc/91/21/43/558912143.db2.gz LQKQYZVVEYUZOT-VSOVRNOCSA-N 1 1 413.522 2.492 40 0 HEABMO COc1ccc(OCC[NH+]2CCN(Cc3cn(CC(N)=O)c4ccccc34)CC2)cc1 ZINC000019556865 558919281 /nfs/dbraw/zinc/91/92/81/558919281.db2.gz JNBFQSZYTFQELW-UHFFFAOYSA-N 1 1 422.529 2.332 40 0 HEABMO Cc1c(C[N@H+]2[C@@H]3CC[C@@H](C3)[C@H]2c2nc(-c3ccccc3)no2)c(=O)n(C)c(=O)n1C ZINC000019577081 558932969 /nfs/dbraw/zinc/93/29/69/558932969.db2.gz RMFSXZKJZRHDES-JZXOWHBKSA-N 1 1 407.474 2.168 40 0 HEABMO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccnc4ccccc24)C3)C[C@H](C)O1 ZINC000072335591 558936722 /nfs/dbraw/zinc/93/67/22/558936722.db2.gz HBJHIZSBWNMCFB-IYBDPMFKSA-N 1 1 405.502 2.490 40 0 HEABMO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccnc4ccccc24)C3)C[C@H](C)O1 ZINC000072335591 558936724 /nfs/dbraw/zinc/93/67/24/558936724.db2.gz HBJHIZSBWNMCFB-IYBDPMFKSA-N 1 1 405.502 2.490 40 0 HEABMO CNc1nc([C@H]2CCC[N@@H+](C)C2)nc2c1CCN(S(=O)(=O)c1ccc(F)cc1)C2 ZINC000019708717 558971213 /nfs/dbraw/zinc/97/12/13/558971213.db2.gz FMAMXNFFTAOXJI-AWEZNQCLSA-N 1 1 419.526 2.214 40 0 HEABMO CNc1nc([C@@H]2CCCN(C(=O)Cc3cccc(OC)c3)C2)nc2c1CC[N@H+](C)C2 ZINC000019708726 558971231 /nfs/dbraw/zinc/97/12/31/558971231.db2.gz IADKILKDAJUMAC-QGZVFWFLSA-N 1 1 409.534 2.464 40 0 HEABMO CNc1nc([C@@H]2CCCN(C(=O)Cc3cccc(OC)c3)C2)nc2c1CC[N@@H+](C)C2 ZINC000019708726 558971233 /nfs/dbraw/zinc/97/12/33/558971233.db2.gz IADKILKDAJUMAC-QGZVFWFLSA-N 1 1 409.534 2.464 40 0 HEABMO CNc1nc([C@H]2CCC[N@@H+](C)C2)nc2c1CN(C(=O)COc1ccc(F)cc1)CC2 ZINC000019710312 558972200 /nfs/dbraw/zinc/97/22/00/558972200.db2.gz RWOYWRVICKNUKY-HNNXBMFYSA-N 1 1 413.497 2.430 40 0 HEABMO Cc1[nH+]c2cc3c(cc2n1CC(=O)NCc1nnc(-c2ccccc2)o1)OCCO3 ZINC000019718229 558981472 /nfs/dbraw/zinc/98/14/72/558981472.db2.gz JKWHQCAUJPWKFG-UHFFFAOYSA-N 1 1 405.414 2.482 40 0 HEABMO COC1(C)C[NH+](C[C@@H]2CC3(CO2)CCN(S(=O)(=O)c2ccccc2C)CC3)C1 ZINC000585104260 559027008 /nfs/dbraw/zinc/02/70/08/559027008.db2.gz OVLQQGCZEGCPHZ-SFHVURJKSA-N 1 1 408.564 2.276 40 0 HEABMO COC(=O)[C@]1(C)C[C@H]([N@@H+](C)Cc2ccccc2)CCN1C(=O)c1cccn(C)c1=O ZINC000585113247 559031237 /nfs/dbraw/zinc/03/12/37/559031237.db2.gz TWLBDFAUOIGKCB-JPYJTQIMSA-N 1 1 411.502 2.054 40 0 HEABMO CCN1CC[C@]2(C[N@@H+](CC(C)C)CC23CCN(C(=O)c2cc(C)on2)CC3)C1=O ZINC000096262760 559106781 /nfs/dbraw/zinc/10/67/81/559106781.db2.gz XMSNRIIPDBERCN-QFIPXVFZSA-N 1 1 402.539 2.416 40 0 HEABMO C[NH+](C)CCOc1ccc(CN2CC[C@H](O)[C@@](O)(COc3cccc(F)c3)C2)cc1 ZINC000585283012 559120389 /nfs/dbraw/zinc/12/03/89/559120389.db2.gz OOAZYDOLTSVVLF-GOTSBHOMSA-N 1 1 418.509 2.143 40 0 HEABMO CS(=O)(=O)N1CCCC[C@H]2C[N@H+]([C@H]3CCC[C@@H](Oc4ccccc4)[C@@H]3O)CC[C@H]21 ZINC000585288994 559122433 /nfs/dbraw/zinc/12/24/33/559122433.db2.gz MCJXGPCCVIQBGG-AOIWZFSPSA-N 1 1 422.591 2.483 40 0 HEABMO C[C@H]1C[N@H+]2C[C@H](O)C[C@@H]2CN1Cc1cc2cc3c4c(c2oc1=O)CCCN4CCC3 ZINC000100109728 559129876 /nfs/dbraw/zinc/12/98/76/559129876.db2.gz IVKIWNTUSNLPBN-CWFSZBLJSA-N 1 1 409.530 2.131 40 0 HEABMO CCc1ccccc1N(CC(=O)N1CC[NH+](C)CC1)S(=O)(=O)c1ccccc1 ZINC000044792279 559173429 /nfs/dbraw/zinc/17/34/29/559173429.db2.gz YPJBZPNEUGUIJN-UHFFFAOYSA-N 1 1 401.532 2.218 40 0 HEABMO COc1ccc(CCn2nnnc2CN2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000019560704 560874068 /nfs/dbraw/zinc/87/40/68/560874068.db2.gz BYDAWCDPNMWWQD-UHFFFAOYSA-N 1 1 422.533 2.251 40 0 HEABMO Cc1cc2cc([C@H](c3nnnn3C(C)(C)C)N3CC[NH+](C)CC3)c(=O)[nH]c2cc1C ZINC000020083656 560880496 /nfs/dbraw/zinc/88/04/96/560880496.db2.gz NENBZXRRZASNBF-LJQANCHMSA-N 1 1 409.538 2.223 40 0 HEABMO O=C1Nc2ccc(F)cc2[C@@]12[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12 ZINC000034389215 568537056 /nfs/dbraw/zinc/53/70/56/568537056.db2.gz CGMVJJVYKAKVQY-QSNWEANLSA-N 1 1 409.392 2.396 40 0 HEABMO O=C1Nc2ccc(F)cc2[C@@]12[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]1[C@H]1CCC[N@H+]12 ZINC000034389215 568537057 /nfs/dbraw/zinc/53/70/57/568537057.db2.gz CGMVJJVYKAKVQY-QSNWEANLSA-N 1 1 409.392 2.396 40 0 HEABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000225445488 568638560 /nfs/dbraw/zinc/63/85/60/568638560.db2.gz AUKPGNMGZYGXSV-QGZVFWFLSA-N 1 1 411.568 2.232 40 0 HEABMO C[C@@H]1CCC[N@@H+](CCCNC(=O)CN(Cc2ccccc2Cl)S(C)(=O)=O)C1 ZINC000225700811 568665796 /nfs/dbraw/zinc/66/57/96/568665796.db2.gz OTECAHSBUCQRSY-MRXNPFEDSA-N 1 1 415.987 2.340 40 0 HEABMO Cc1[nH+]ccn1-c1ccc(CNS(=O)(=O)c2nnc(NC(=O)C(C)C)s2)cc1 ZINC000225761203 568672050 /nfs/dbraw/zinc/67/20/50/568672050.db2.gz VVDHQAVCVBYBAL-UHFFFAOYSA-N 1 1 420.520 2.105 40 0 HEABMO Cc1ccc(S(=O)(=O)N(C)c2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000225984915 568690107 /nfs/dbraw/zinc/69/01/07/568690107.db2.gz MYLYFWUIJGDXDX-UHFFFAOYSA-N 1 1 401.532 2.137 40 0 HEABMO CS(=O)(=O)N1CCC(C(=O)NCCCNc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000226076096 568693104 /nfs/dbraw/zinc/69/31/04/568693104.db2.gz KEQVJCSEATWMAQ-UHFFFAOYSA-N 1 1 424.954 2.478 40 0 HEABMO CC(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000257265900 568794401 /nfs/dbraw/zinc/79/44/01/568794401.db2.gz MAUDRBBAAXNZQU-VDEHWKIFSA-N 1 1 415.578 2.164 40 0 HEABMO CCOc1ccc2[nH]c(C(=O)N(C)[C@@H]3CC[C@@H]([NH+]4CCOCC4)[C@@H]3O)c(C)c2c1 ZINC000257298071 568804062 /nfs/dbraw/zinc/80/40/62/568804062.db2.gz RJZPIKOALWFDJU-SFHLNBCPSA-N 1 1 401.507 2.171 40 0 HEABMO CC(=O)N1CC[NH+]([C@H]2CCN(C(=O)c3oc4cc(C)ccc4c3C)CC[C@@H]2O)CC1 ZINC000257315494 568809100 /nfs/dbraw/zinc/80/91/00/568809100.db2.gz VBRBMKGVYJUQKG-PMACEKPBSA-N 1 1 413.518 2.179 40 0 HEABMO O=c1c(=O)n(Cc2cccs2)nc2n1CC[C@]21CC[N@H+](Cc2ccc(F)cc2)C1 ZINC000306128196 568891050 /nfs/dbraw/zinc/89/10/50/568891050.db2.gz GTYREGIMVJILPN-NRFANRHFSA-N 1 1 412.490 2.201 40 0 HEABMO COc1ccc(NC(=O)c2nnc3n2C[C@H]2C[N@H+](Cc4cccnc4)C[C@@H]2C3)cc1 ZINC000306130058 568892549 /nfs/dbraw/zinc/89/25/49/568892549.db2.gz IVMIAHAQDVTOES-DLBZAZTESA-N 1 1 404.474 2.238 40 0 HEABMO CC[C@H](C)NC(=O)c1nnc2n1CC1(CC[NH+](Cc3nccs3)CC1)COC2 ZINC000306131664 568894006 /nfs/dbraw/zinc/89/40/06/568894006.db2.gz KLPMWYUKWWOTHA-AWEZNQCLSA-N 1 1 404.540 2.076 40 0 HEABMO COCCN1C[C@@]2(CC[N@H+](Cc3ccc(F)cc3)C2)Oc2ccccc2S1(=O)=O ZINC000306136679 568898388 /nfs/dbraw/zinc/89/83/88/568898388.db2.gz QACHGTOVIYLYGF-NRFANRHFSA-N 1 1 420.506 2.500 40 0 HEABMO COCCN1C[C@@]2(CC[N@@H+](Cc3ccc(F)cc3)C2)Oc2ccccc2S1(=O)=O ZINC000306136679 568898389 /nfs/dbraw/zinc/89/83/89/568898389.db2.gz QACHGTOVIYLYGF-NRFANRHFSA-N 1 1 420.506 2.500 40 0 HEABMO Cc1c(C[N@H+]2CC[C@]3(C2)COCc2cnc(N4CCC(F)(F)CC4)nc23)cnn1C ZINC000306139055 568900798 /nfs/dbraw/zinc/90/07/98/568900798.db2.gz SOEQUAPQRKBWHC-FQEVSTJZSA-N 1 1 418.492 2.428 40 0 HEABMO Cc1cccc(C[N@H+]2CC[C@]3(C2)Cn2c(=O)c(=O)n(CC4CCCCC4)nc2CO3)c1 ZINC000306140488 568902400 /nfs/dbraw/zinc/90/24/00/568902400.db2.gz UUVNDVYLHYWSQU-DEOSSOPVSA-N 1 1 424.545 2.469 40 0 HEABMO COc1ccc(-c2nnc3n(c2=O)CC[C@]32CC[N@@H+](Cc3cccnc3OC)C2)cc1 ZINC000306141897 568903540 /nfs/dbraw/zinc/90/35/40/568903540.db2.gz WJKJBNNIFNETQF-QHCPKHFHSA-N 1 1 419.485 2.265 40 0 HEABMO O=c1c(=O)n(Cc2cccs2)nc2n1CC[C@@]21CC[N@@H+](Cc2ccsc2)C1 ZINC000306144131 568905396 /nfs/dbraw/zinc/90/53/96/568905396.db2.gz YWTDISVRBRGEIM-LJQANCHMSA-N 1 1 400.529 2.124 40 0 HEABMO Cn1nccc1[C@H]1C[N@@H+](CCc2ccccc2)C[C@]12OCCN(CC1CCC1)C2=O ZINC000306144739 568906223 /nfs/dbraw/zinc/90/62/23/568906223.db2.gz ZNNKFNBTELACGS-QPPBQGQZSA-N 1 1 408.546 2.460 40 0 HEABMO Cn1nccc1[C@@H]1C[N@@H+](CCc2ccccc2)C[C@@]12OCCN(CC1CCC1)C2=O ZINC000306144741 568906225 /nfs/dbraw/zinc/90/62/25/568906225.db2.gz ZNNKFNBTELACGS-XUZZJYLKSA-N 1 1 408.546 2.460 40 0 HEABMO CCCO[C@@H]1CCC[N@@H+](CC(=O)N2CC[C@@H](c3cc(=O)n4c(n3)CCCCC4)C2)C1 ZINC000019503778 569345698 /nfs/dbraw/zinc/34/56/98/569345698.db2.gz UMUHEGOBNPTIDY-RTBURBONSA-N 1 1 416.566 2.177 40 0 HEABMO CC(=O)N1CCC(c2cc(C[NH+](C)C)n(CCNC(=O)[C@H]3CC=CCC3)n2)CC1 ZINC000019709132 569348035 /nfs/dbraw/zinc/34/80/35/569348035.db2.gz IUYYGAWAXATRBD-IBGZPJMESA-N 1 1 401.555 2.143 40 0 HEABMO Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000019720307 569348525 /nfs/dbraw/zinc/34/85/25/569348525.db2.gz VOENVVZUKFYGOI-SFHVURJKSA-N 1 1 401.532 2.006 40 0 HEABMO C[NH+]1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4ccccc4c3)C2)CC1 ZINC000060512644 569352464 /nfs/dbraw/zinc/35/24/64/569352464.db2.gz JRUFXXLBZWAWNM-IBGZPJMESA-N 1 1 401.532 2.015 40 0 HEABMO CC[C@@H](C)Nc1nc(N2CCc3ccc(S(N)(=O)=O)cc3C2)cc(C2CC2)[nH+]1 ZINC000329029205 571309121 /nfs/dbraw/zinc/30/91/21/571309121.db2.gz PYDKUCXSLNRDSB-CYBMUJFWSA-N 1 1 401.536 2.775 40 0 HEABMO