smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)N1CCC([NH2+]C[C@H]2O[C@H](Cc3cc(-c4ccccc4)on3)CC[C@@H]2O)CC1 ZINC000077262852 291202623 /nfs/dbraw/zinc/20/26/23/291202623.db2.gz JAURDOGIEZBDCP-QNWVGRARSA-N 1 0 413.518 2.393 40 0 biogenic,in-vitro HEABRO CC(=O)N1CCC([NH2+][C@H]2C[C@@H](Cc3cc(CN4CCOCC4)on3)C2(C)C)CC1 ZINC000067890331 291202653 /nfs/dbraw/zinc/20/26/53/291202653.db2.gz SPCJCXKICLLJJO-UTKZUKDTSA-N 1 0 404.555 2.065 40 0 biogenic,in-vitro HEABRO COc1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)C4CCOCC4)CCN3C(C)(C)C2)cc1 ZINC000253403734 291208300 /nfs/dbraw/zinc/20/83/00/291208300.db2.gz QJQSUTHQUMYQQK-HXUWFJFHSA-N 1 0 401.551 2.229 40 0 biogenic,in-vitro HEABRO COc1ccccc1N1CC[NH+](C[C@@H](O)COCCOc2ccc(F)cc2)CC1 ZINC000041690261 524556164 /nfs/dbraw/zinc/55/61/64/524556164.db2.gz OYAZWPNFXZROKZ-LJQANCHMSA-N 1 0 404.482 2.413 40 0 HEABRO O=C(NCc1cccnc1)[C@H]1C[N@@H+]2CC[C@@H]1C[C@@H]2Cn1cc(-c2ccccc2)nn1 ZINC000008254271 557778487 /nfs/dbraw/zinc/77/84/87/557778487.db2.gz NVYLMAITTSMOSF-NJYVYQBISA-N 1 0 402.502 2.367 40 0 biogenic,in-vitro HEABRO O=S1(=O)CC[C@H]([NH2+]CCn2cncc2-c2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000019719547 558258014 /nfs/dbraw/zinc/25/80/14/558258014.db2.gz BWHOKXRCXAGHRA-INIZCTEOSA-N 1 0 405.911 2.166 40 0 HEABRO Cc1nn(CC(=O)NCCC[N@H+]2CCCC[C@H]2C)c(=O)c2cc3sccc3n21 ZINC000012115270 558327784 /nfs/dbraw/zinc/32/77/84/558327784.db2.gz YVLWPJNIEUUMCR-CQSZACIVSA-N 1 0 401.536 2.400 40 0 HEABRO Cc1ccc(C)c(N(CC(=O)NCCC[NH+]2CCCCCC2)S(=O)(=O)N(C)C)c1 ZINC000020244344 558350659 /nfs/dbraw/zinc/35/06/59/558350659.db2.gz LIOBANCXNMJERB-UHFFFAOYSA-N 1 0 424.611 2.299 40 0 HEABRO O=c1[nH]c2ccc(S(=O)(=O)NC[C@@H]3CCC[N@H+](Cc4ccccc4)C3)cc2[nH]1 ZINC000012239027 558359613 /nfs/dbraw/zinc/35/96/13/558359613.db2.gz SSTLQVKLPHIXDI-INIZCTEOSA-N 1 0 400.504 2.047 40 0 HEABRO O=C(c1cccc(F)c1)N1CCC([NH2+][C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1 ZINC000020437601 558363219 /nfs/dbraw/zinc/36/32/19/558363219.db2.gz QXEIFDVCVMYTPC-IBGZPJMESA-N 1 0 413.424 2.491 40 0 HEABRO O=C(NCCC[NH+]1CCCCC1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000020488367 558376864 /nfs/dbraw/zinc/37/68/64/558376864.db2.gz WMYJKUPUTZJCAR-UHFFFAOYSA-N 1 0 407.580 2.221 40 0 HEABRO CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@@H]1c1ccc(OC)cc1 ZINC000020636759 558396086 /nfs/dbraw/zinc/39/60/86/558396086.db2.gz UZWLBXWFISULRZ-VQTJNVASSA-N 1 0 407.470 2.460 40 0 HEABRO COc1ccc(OC)c(NC(=O)C[C@@H]2N=C(NC(=[NH2+])Nc3ccccc3)NC2=O)c1 ZINC000022607394 558500949 /nfs/dbraw/zinc/50/09/49/558500949.db2.gz HLILHOUONKJDDA-HNNXBMFYSA-N 1 0 410.434 2.364 40 0 HEABRO CCOc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+](C)C)c2ccccc2)cc1 ZINC000013612240 558548733 /nfs/dbraw/zinc/54/87/33/558548733.db2.gz KRGITOSNKFGZDK-UHFFFAOYSA-N 1 0 419.547 2.349 40 0 HEABRO COc1ccc(N([C@@H](C)C(=O)NCC[NH+]2CCCCC2)S(C)(=O)=O)cc1Cl ZINC000013678357 558565370 /nfs/dbraw/zinc/56/53/70/558565370.db2.gz QEJLZIVGJPKGSR-AWEZNQCLSA-N 1 0 417.959 2.105 40 0 HEABRO CC1CC[NH+](CCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)CC1 ZINC000028069382 558690656 /nfs/dbraw/zinc/69/06/56/558690656.db2.gz CBHAAWVJORSPNR-KRWDZBQOSA-N 1 0 413.609 2.387 40 0 HEABRO COc1ccc(NC(=O)[C@H]2C[C@@H]([C@@H](C)O)[NH2+][C@]23C(=O)Nc2c3cccc2Cl)cc1 ZINC000035883684 558795579 /nfs/dbraw/zinc/79/55/79/558795579.db2.gz CPLYWWPWWQYOHJ-JZPGYVBKSA-N 1 0 415.877 2.494 40 0 HEABRO COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@@H]([C@H](C)O)[NH2+][C@]12C(=O)Nc1ccccc12 ZINC000035877468 558795649 /nfs/dbraw/zinc/79/56/49/558795649.db2.gz QMLNGBPKBHKELV-GFNDCGQZSA-N 1 0 415.877 2.494 40 0 HEABRO O=C(C1CCCC1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](C1CCOCC1)CC2 ZINC000019014539 558836730 /nfs/dbraw/zinc/83/67/30/558836730.db2.gz CNNGPTSYAZAVGW-LJQANCHMSA-N 1 0 400.523 2.161 40 0 HEABRO C[C@@H]1CCC[N@H+](CCCNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000047111236 558841763 /nfs/dbraw/zinc/84/17/63/558841763.db2.gz LCQQZUBUUUXDJA-GOSISDBHSA-N 1 0 407.580 2.326 40 0 HEABRO Cn1cc(CCC(=O)N(CCN2CCOCC2)C2CC[NH+](C)CC2)c2ccccc21 ZINC000019290398 558862836 /nfs/dbraw/zinc/86/28/36/558862836.db2.gz MXUKYEMRKWSOCN-UHFFFAOYSA-N 1 0 412.578 2.366 40 0 HEABRO COc1cccc(CC(=O)N2CCC[C@H]2c2nc3c(c(=O)[nH]2)C[N@@H+](C(C)C)CC3)c1 ZINC000019448275 558887029 /nfs/dbraw/zinc/88/70/29/558887029.db2.gz PXTVPVWEDUCVFD-FQEVSTJZSA-N 1 0 410.518 2.451 40 0 HEABRO C[C@H]1CCCC[N@@H+]1CC(=O)N1C[C@@H](c2ccc(F)c(F)c2)[C@]2(C1)COCCC(=O)N2 ZINC000019496350 558895233 /nfs/dbraw/zinc/89/52/33/558895233.db2.gz VQTNMUYOTUFSPR-YHEJKZAPSA-N 1 0 421.488 2.040 40 0 HEABRO C[C@H]1CCc2onc(C(=O)N3CCC[C@@H](c4nc5c(c(=O)[nH]4)C[N@H+](C)CC5)C3)c2C1 ZINC000019497116 558895960 /nfs/dbraw/zinc/89/59/60/558895960.db2.gz FFVKRDIZNWKYLF-UONOGXRCSA-N 1 0 411.506 2.303 40 0 HEABRO 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 558934875 /nfs/dbraw/zinc/93/48/75/558934875.db2.gz BWSAXPSFDVMOGU-FMWKFLBASA-N 1 0 423.561 2.394 40 0 HEABRO COCc1nc2ccccc2n1CC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000019656448 558949313 /nfs/dbraw/zinc/94/93/13/558949313.db2.gz MLBAWHUSJNNAAC-UHFFFAOYSA-N 1 0 400.523 2.144 40 0 HEABRO Cc1nc([C@H]2CCCCN2C(=O)C[NH+](C)C)nc2c1CCC(=O)N2Cc1ccccn1 ZINC000019696052 558964331 /nfs/dbraw/zinc/96/43/31/558964331.db2.gz MMTYHAZWTCRXCW-LJQANCHMSA-N 1 0 422.533 2.275 40 0 HEABRO CNc1ncccc1C[N@@H+]1C[C@H](C(=O)N(C)C)[C@@H](c2ccc(CNC(C)=O)cc2)C1 ZINC000019698685 558966318 /nfs/dbraw/zinc/96/63/18/558966318.db2.gz TUKKSLLLKOLDCE-RTWAWAEBSA-N 1 0 409.534 2.063 40 0 HEABRO Cc1ccc(OCC(=O)N2CCC3(CO[C@H](C[NH+]4CCC(O)CC4)C3)CC2)cc1 ZINC000585104013 559025859 /nfs/dbraw/zinc/02/58/59/559025859.db2.gz KNBHEXYXXCFPBH-NRFANRHFSA-N 1 0 402.535 2.228 40 0 HEABRO COc1cc(OC)cc(C(=O)N2CCC3(CO[C@@H](C[N@@H+]4CCC[C@H](O)C4)C3)CC2)c1 ZINC000585103080 559026440 /nfs/dbraw/zinc/02/64/40/559026440.db2.gz CIIRWZWYQWNSES-GHTZIAJQSA-N 1 0 418.534 2.172 40 0 HEABRO Cc1ccc(O)c(C(=O)N2CCC3(CO[C@H](C[N@H+]4CC[C@@H](C)[C@H](O)C4)C3)CC2)c1 ZINC000585103172 559026545 /nfs/dbraw/zinc/02/65/45/559026545.db2.gz FDZLKYFKCJURGZ-LVCYWYKZSA-N 1 0 402.535 2.415 40 0 HEABRO C[NH+](C)CCN1C[C@@H](c2ccccc2)[C@]2(CN(C(=O)c3ccsc3)CCO2)C1=O ZINC000585107279 559027766 /nfs/dbraw/zinc/02/77/66/559027766.db2.gz SDZNIGIXIUDJQT-SIKLNZKXSA-N 1 0 413.543 2.147 40 0 HEABRO C[NH+](C)CCN1C[C@@H](c2ccccc2)[C@]2(CN(C(=O)c3cccs3)CCO2)C1=O ZINC000585107437 559027964 /nfs/dbraw/zinc/02/79/64/559027964.db2.gz VVKCEXDPUMMWAE-PGRDOPGGSA-N 1 0 413.543 2.147 40 0 HEABRO 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 559028410 /nfs/dbraw/zinc/02/84/10/559028410.db2.gz SHTNCPCLSUQVFJ-AHRSYUTCSA-N 1 0 419.591 2.242 40 0 HEABRO CC[C@H](C)C[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000585106154 559028457 /nfs/dbraw/zinc/02/84/57/559028457.db2.gz SLIYAIAVMXDTPE-SXLOBPIMSA-N 1 0 419.591 2.075 40 0 HEABRO Cc1nc(CN2C(=O)C[C@H]3[C@@H]2CC[N@@H+]3Cc2ccnc(N3CCOCC3)c2)cs1 ZINC000585109198 559030279 /nfs/dbraw/zinc/03/02/79/559030279.db2.gz ZSIYCYZNAPFUSL-OALUTQOASA-N 1 0 413.547 2.059 40 0 HEABRO Cn1nnc2c1[C@H](COCC[NH+]1CCCC1)CN(C(=O)/C=C/c1cccs1)C2 ZINC000585110807 559031450 /nfs/dbraw/zinc/03/14/50/559031450.db2.gz JCZPBBOQSVCUBL-MOEXGYKKSA-N 1 0 401.536 2.128 40 0 HEABRO O=C(NCC1CC1)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@H+](Cc1ccccn1)CCC2 ZINC000096056149 559093839 /nfs/dbraw/zinc/09/38/39/559093839.db2.gz OVOJKVJXPMIZTI-CVDCTZTESA-N 1 0 406.534 2.116 40 0 HEABRO COCC[N@@H+]1CC2(CCN(C(=O)c3ccc(Cl)cc3)CC2)[C@]2(CCN(C)C2=O)C1 ZINC000096144028 559096364 /nfs/dbraw/zinc/09/63/64/559096364.db2.gz FUFADQSSROOLAJ-JOCHJYFZSA-N 1 0 419.953 2.373 40 0 HEABRO COCC[N@@H+]1CC2(CCN(C(=O)c3cc(C)cc(C)c3)CC2)[C@@]2(CCN(C)C2=O)C1 ZINC000096144240 559096489 /nfs/dbraw/zinc/09/64/89/559096489.db2.gz NAIQQMDBHADGGF-DEOSSOPVSA-N 1 0 413.562 2.336 40 0 HEABRO CCN1CC[C@@]2(C[N@H+](Cc3cccnc3)CC23CCN(C(=O)NC(C)C)CC3)C1=O ZINC000096144406 559096670 /nfs/dbraw/zinc/09/66/70/559096670.db2.gz XQKWPFTYOIXGFX-HSZRJFAPSA-N 1 0 413.566 2.336 40 0 HEABRO C[NH+](C)CC(=O)N1CCN(c2ccc3ccc(C(=O)NCc4ccccc4)cn32)CC1 ZINC000096156017 559100086 /nfs/dbraw/zinc/10/00/86/559100086.db2.gz ZCPDDWJCOVATFY-UHFFFAOYSA-N 1 0 419.529 2.080 40 0 HEABRO Cc1cccc(C[NH+]2CCC3(CC2)C(=O)N(c2cnn(C)c2)CCN3CC2CC2)n1 ZINC000096230333 559102805 /nfs/dbraw/zinc/10/28/05/559102805.db2.gz GBVOTCVERHFZMD-UHFFFAOYSA-N 1 0 408.550 2.217 40 0 HEABRO C[NH+](C)CCOc1ccc(CN2CCOC[C@](O)(COc3cccc(F)c3)C2)cc1 ZINC000585271844 559117871 /nfs/dbraw/zinc/11/78/71/559117871.db2.gz KQZAEVXWXNAKMT-QHCPKHFHSA-N 1 0 418.509 2.408 40 0 HEABRO COc1ccccc1C[N@H+](C)C[C@@]1(O)CN(C(=O)CCc2ccccc2)CC[C@@H]1O ZINC000585283614 559120670 /nfs/dbraw/zinc/12/06/70/559120670.db2.gz FNERAZYGRUQMJG-LADGPHEKSA-N 1 0 412.530 2.084 40 0 HEABRO CCN1CC[C@@]2(CN(c3ncccn3)CC23CC[NH+](Cc2cccnc2)CC3)C1=O ZINC000097952900 559125048 /nfs/dbraw/zinc/12/50/48/559125048.db2.gz PVDVLSVDAHTSTK-HSZRJFAPSA-N 1 0 406.534 2.213 40 0 HEABRO CCN1CC[C@]2(CN(c3ncccn3)CC23CC[NH+](Cc2ccccn2)CC3)C1=O ZINC000097952897 559125057 /nfs/dbraw/zinc/12/50/57/559125057.db2.gz KATMOPPWBVBNTD-QHCPKHFHSA-N 1 0 406.534 2.213 40 0 HEABRO Cc1c(Cl)cccc1N(CCCC(=O)NC1CC[NH+](C)CC1)S(C)(=O)=O ZINC000113966166 559184508 /nfs/dbraw/zinc/18/45/08/559184508.db2.gz ZSOKWQTYVZWXPP-UHFFFAOYSA-N 1 0 401.960 2.405 40 0 HEABRO Cc1ocnc1C(=O)NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCOCC2)CC1 ZINC000257245257 559284216 /nfs/dbraw/zinc/28/42/16/559284216.db2.gz IORPIMIBICHXMG-SXWKCWPCSA-N 1 0 413.518 2.287 40 0 HEABRO CC[NH+](CC)CCCNC(=S)N(CCO)Cc1cc2cccc(C)c2[nH]c1=O ZINC000004131774 560599734 /nfs/dbraw/zinc/59/97/34/560599734.db2.gz XHBRRMFSKDYSHE-UHFFFAOYSA-N 1 0 404.580 2.237 40 0 HEABRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1C[C@H](O)CN1C(=O)Nc1ccccc1 ZINC000004986872 560619356 /nfs/dbraw/zinc/61/93/56/560619356.db2.gz GHVBHXBDUNEJDP-FCHUYYIVSA-N 1 0 422.529 2.435 40 0 HEABRO CC[NH+]1CCN([C@H](c2nnnn2Cc2ccc(OC)cc2)c2ccc(OC)cc2)CC1 ZINC000019528024 560874740 /nfs/dbraw/zinc/87/47/40/560874740.db2.gz WYTDGYXRLKWLSI-QFIPXVFZSA-N 1 0 422.533 2.466 40 0 HEABRO O=C(c1ccccc1)N1C[C@@H]2COCCN2C2(C[NH+](C3CCC(F)(F)CC3)C2)C1 ZINC000604381173 568489182 /nfs/dbraw/zinc/48/91/82/568489182.db2.gz DVCQIIWEMZMNHI-LJQANCHMSA-N 1 0 405.489 2.476 40 0 biogenic,in-vitro HEABRO OC[C@H]1[C@H](O)C[C@@H]([NH2+]Cc2cccnc2)[C@@H]1Cc1ccnc(-c2ccccc2F)n1 ZINC000604382220 568489380 /nfs/dbraw/zinc/48/93/80/568489380.db2.gz LJCNSMYJMFKABA-UGESXGAOSA-N 1 0 408.477 2.368 40 0 biogenic,in-vitro HEABRO OC[C@H]1[C@H](O)C[C@@H]([NH2+]Cc2ccc(F)cc2)[C@@H]1Cc1ccnc(-c2cccnc2)n1 ZINC000604382371 568489546 /nfs/dbraw/zinc/48/95/46/568489546.db2.gz PLUACQSWOXOCAK-GXRSIYKFSA-N 1 0 408.477 2.368 40 0 biogenic,in-vitro HEABRO C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000223833413 568560330 /nfs/dbraw/zinc/56/03/30/568560330.db2.gz KMWJQHMSMKTWAJ-IAGOWNOFSA-N 1 0 411.568 2.088 40 0 HEABRO COC(=O)c1cccc(S(=O)(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)c1 ZINC000223856780 568561069 /nfs/dbraw/zinc/56/10/69/568561069.db2.gz KWLFMNRXHQKJMV-UHFFFAOYSA-N 1 0 418.515 2.425 40 0 HEABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000225562386 568651413 /nfs/dbraw/zinc/65/14/13/568651413.db2.gz OPAHMBTYFKIXQK-LJQANCHMSA-N 1 0 423.579 2.092 40 0 HEABRO C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000260793517 568739419 /nfs/dbraw/zinc/73/94/19/568739419.db2.gz KMWJQHMSMKTWAJ-SJORKVTESA-N 1 0 411.568 2.088 40 0 HEABRO CNC(=O)[C@@H]1CN(C(=O)c2ccccc2C[NH+]2CCCC2)CCN1Cc1ccccc1 ZINC000257206409 568777954 /nfs/dbraw/zinc/77/79/54/568777954.db2.gz BDGNHKRPEAXDAR-QHCPKHFHSA-N 1 0 420.557 2.355 40 0 HEABRO CC1CC[NH+](CCC(=O)N2CCO[C@@H](c3ncncc3-c3ccnc(N)c3)C2)CC1 ZINC000257235510 568786295 /nfs/dbraw/zinc/78/62/95/568786295.db2.gz GYDYSBORZLBUMC-LJQANCHMSA-N 1 0 410.522 2.143 40 0 HEABRO Cc1cc(N2CCC[C@@](O)(CNC(=O)CCC[NH+]3Cc4ccccc4C3)C2)ncn1 ZINC000257260356 568792876 /nfs/dbraw/zinc/79/28/76/568792876.db2.gz LCNLWQVXSKHHSQ-HSZRJFAPSA-N 1 0 409.534 2.029 40 0 HEABRO COc1ccc(CCNC(=O)[C@@H]2C[N@H+](C)C[C@H]2c2cccc(CNC(C)=O)c2)cc1 ZINC000257277345 568797670 /nfs/dbraw/zinc/79/76/70/568797670.db2.gz NXPOHZWMTLTCOG-XZOQPEGZSA-N 1 0 409.530 2.335 40 0 HEABRO NC(=O)[C@]1(c2ccccn2)CCC[N@H+](CC2(O)CCN(c3cccc(F)c3)CC2)C1 ZINC000257287860 568800873 /nfs/dbraw/zinc/80/08/73/568800873.db2.gz PRTYKLXOOCKKGL-HSZRJFAPSA-N 1 0 412.509 2.071 40 0 HEABRO COc1ccc(NC(=O)c2nnc3n2C[C@@H]2C[N@@H+](Cc4nccs4)C[C@@H]2C3)cc1 ZINC000306124426 568887477 /nfs/dbraw/zinc/88/74/77/568887477.db2.gz BPNFUMXSYZETSI-KBPBESRZSA-N 1 0 410.503 2.300 40 0 HEABRO CC(C)n1cc(C[N@H+]2C[C@@H]3Cc4nnc(C(=O)NCc5ccccc5)n4C[C@@H]3C2)cn1 ZINC000306127275 568890068 /nfs/dbraw/zinc/89/00/68/568890068.db2.gz FTYWOYQVZZJNBH-PMACEKPBSA-N 1 0 419.533 2.290 40 0 HEABRO Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCO[C@]2(CCCC[C@@H]2[NH+]2CCCC2)C1 ZINC000306128457 568891252 /nfs/dbraw/zinc/89/12/52/568891252.db2.gz HAVWAOMBYRDTNU-MAUKXSAKSA-N 1 0 416.975 2.180 40 0 HEABRO Cc1cc(C)cc(C[N@@H+]2CC[C@@]3(C2)Cn2c(=O)c(=O)n(C4CCCC4)nc2CO3)c1 ZINC000306128725 568891424 /nfs/dbraw/zinc/89/14/24/568891424.db2.gz HJBJGFOJLZALIO-HSZRJFAPSA-N 1 0 410.518 2.312 40 0 HEABRO Cn1cc(C[N@@H+]2Cc3c(=O)n(C)[n-]c3C3(CC[NH+](Cc4ccccc4)CC3)C2)cn1 ZINC000306129092 568891702 /nfs/dbraw/zinc/89/17/02/568891702.db2.gz HUDGUZFVJCELHP-UHFFFAOYSA-N 1 0 406.534 2.409 40 0 HEABRO O=C1CCCN1C[C@H]1CC[C@]2(COCC[N@H+](Cc3ccc(-n4ccnc4)cc3)C2)O1 ZINC000306130524 568892914 /nfs/dbraw/zinc/89/29/14/568892914.db2.gz JIVKQAVOUAAOSG-GGAORHGYSA-N 1 0 410.518 2.245 40 0 HEABRO COc1ncccc1C[N@@H+]1C[C@@H]2Cn3c(nnc3C(=O)Nc3cccc(F)c3)C[C@@H]2C1 ZINC000306134117 568896034 /nfs/dbraw/zinc/89/60/34/568896034.db2.gz NDVMTIMHTZSRTC-HZPDHXFCSA-N 1 0 422.464 2.377 40 0 HEABRO O=C1N(Cc2ccncc2)CCO[C@]12C[N@H+](Cc1cccnc1)C[C@H]2c1cccnc1 ZINC000306138947 568900932 /nfs/dbraw/zinc/90/09/32/568900932.db2.gz SLIWMGSEEOHSOD-UPVQGACJSA-N 1 0 415.497 2.269 40 0 HEABRO O=C(NCC1CC1)[C@]12CN(c3ncccn3)C[C@@H]1C[N@H+](Cc1ccncc1)CCC2 ZINC000306140108 568901821 /nfs/dbraw/zinc/90/18/21/568901821.db2.gz UKBQYLVGYNLROK-NZQKXSOJSA-N 1 0 406.534 2.116 40 0 HEABRO Cc1ncsc1C[N@H+]1C[C@@H]2Cc3nnc(C(=O)NCc4ccccc4)n3C[C@@H]2C1 ZINC000306143529 568904904 /nfs/dbraw/zinc/90/49/04/568904904.db2.gz YEQICXSMTWMIGI-IRXDYDNUSA-N 1 0 408.531 2.277 40 0 HEABRO CCOC(=O)[C@@]1(C[NH3+])[C@@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218167255 568926890 /nfs/dbraw/zinc/92/68/90/568926890.db2.gz VZNMCNOMUINIOL-ZJOUEHCJSA-N 1 0 417.483 2.172 40 0 HEABRO CN(C)c1cn[nH+]c(N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000224315597 569057106 /nfs/dbraw/zinc/05/71/06/569057106.db2.gz JYIMPWSJXJFFHV-UHFFFAOYSA-N 1 0 415.441 2.072 40 0 HEABRO O=C(c1cccc2ccccc21)N1CCN(c2cc(N3CCOCC3)cn[nH+]2)CC1 ZINC000224318776 569057190 /nfs/dbraw/zinc/05/71/90/569057190.db2.gz WYDJTUZOJVXBLA-UHFFFAOYSA-N 1 0 403.486 2.429 40 0 HEABRO O=C(Nc1cccc(Cl)c1)N1CCN(c2cn[nH+]c(N3CCOCC3)c2)CC1 ZINC000224330620 569058539 /nfs/dbraw/zinc/05/85/39/569058539.db2.gz HFKNXOZSWSEPRK-UHFFFAOYSA-N 1 0 402.886 2.321 40 0 HEABRO C[N@@H+]1C[C@H](C(=O)Nc2ccc(F)cc2)C[C@H]1C1CCN(C(=O)c2cnccn2)CC1 ZINC000248104934 569316162 /nfs/dbraw/zinc/31/61/62/569316162.db2.gz FSKVRIBFKQRMMP-UZLBHIALSA-N 1 0 411.481 2.427 40 0 HEABRO CCC[NH+]1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)Cc3ccccc3)C1)C2=O ZINC000019700000 569347087 /nfs/dbraw/zinc/34/70/87/569347087.db2.gz RJRQNAYQJMHSBV-LJQANCHMSA-N 1 0 412.534 2.017 40 0 HEABRO O=C(C1CCC1)N1CCC[C@@H](N2C(=O)NC3(CC[NH+](Cc4ccccc4)CC3)C2=O)C1 ZINC000019699868 569347125 /nfs/dbraw/zinc/34/71/25/569347125.db2.gz LLBPUMXSIKQRCR-HXUWFJFHSA-N 1 0 424.545 2.364 40 0 HEABRO C[NH2+]Cc1cc(N(C)C)nc([C@@H]2CCCN2CC(=O)N2CCCc3ccccc32)n1 ZINC000019760829 569348928 /nfs/dbraw/zinc/34/89/28/569348928.db2.gz PKKZSGOSHFTXNM-FQEVSTJZSA-N 1 0 408.550 2.378 40 0 HEABRO CNc1nc(C2CC[NH2+]CC2)nc2c1CCN(C(=O)c1c(OC)cccc1OC)C2 ZINC000019710679 569428839 /nfs/dbraw/zinc/42/88/39/569428839.db2.gz AFODOMKOCMJUTJ-UHFFFAOYSA-N 1 0 411.506 2.201 40 0 HEABRO CN1CCN(Cc2nc(C3(O)CCN(C(=O)c4ccc(F)cc4)CC3)cs2)CC1 ZINC000225472958 291205423 /nfs/dbraw/zinc/20/54/23/291205423.db2.gz PVBKCGSYGLJIDP-UHFFFAOYSA-N 1 0 418.538 2.153 40 0 biogenic,in-vitro HEABRO Cc1nc([C@@H]2CCCCN2C(=O)c2ccc(N3CC[NH+](C)CC3)cc2)ncc1C(N)=O ZINC000019764553 527040769 /nfs/dbraw/zinc/04/07/69/527040769.db2.gz MCGOVRORGOAAOJ-FQEVSTJZSA-N 1 0 422.533 2.003 40 0 HEABRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1cccc(C)c1 ZINC000408710085 557737423 /nfs/dbraw/zinc/73/74/23/557737423.db2.gz OCPWRGAWCHRESO-IBGZPJMESA-N 1 0 422.529 2.464 40 0 HEABRO COc1cc(NC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)cc(OC)c1OC ZINC000009874079 557850670 /nfs/dbraw/zinc/85/06/70/557850670.db2.gz AHKCLLFKTRLETO-UHFFFAOYSA-N 1 0 420.510 2.050 40 0 HEABRO Cc1nn(-c2ccc(F)cc2)c(C)c1-c1cncn1CC[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000019719733 558258264 /nfs/dbraw/zinc/25/82/64/558258264.db2.gz RWLAOEIVVFALHI-QGZVFWFLSA-N 1 0 417.510 2.268 40 0 HEABRO C[NH+]1CCC(NS(=O)(=O)c2ccc3c(c2)[C@@H](NC(=O)C2CCCC2)CC3)CC1 ZINC000019749553 558269083 /nfs/dbraw/zinc/26/90/83/558269083.db2.gz MLWSWPAOPGJSHT-FQEVSTJZSA-N 1 0 405.564 2.353 40 0 HEABRO Cc1cccc(CS(=O)(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)c1 ZINC000020040369 558325955 /nfs/dbraw/zinc/32/59/55/558325955.db2.gz HSONBMWZDIPIEC-UHFFFAOYSA-N 1 0 407.580 2.139 40 0 HEABRO Cc1nn(CC(=O)NCCC[N@H+]2CCC[C@@H](C)C2)c(=O)c2cc3sccc3n21 ZINC000012115257 558327766 /nfs/dbraw/zinc/32/77/66/558327766.db2.gz PMGAQXTXPVMPSX-CQSZACIVSA-N 1 0 401.536 2.257 40 0 HEABRO CCn1nc(C)c(C[NH+]2CCC([C@H]3Nc4ccccc4S(=O)(=O)N3)CC2)c1C ZINC000012222273 558356090 /nfs/dbraw/zinc/35/60/90/558356090.db2.gz AFHUGRAUMPSKIW-FQEVSTJZSA-N 1 0 403.552 2.462 40 0 HEABRO CCn1c2ccc(S(=O)(=O)NC[C@H]3CC[N@H+](Cc4ccccc4)C3)cc2oc1=O ZINC000012239180 558359793 /nfs/dbraw/zinc/35/97/93/558359793.db2.gz OMNHQYFKWYCVCS-QGZVFWFLSA-N 1 0 415.515 2.415 40 0 HEABRO CCOC(=O)C1=C(O)NC(N2CCN(c3ccccc3)CC2)=[NH+][C@@H]1c1ccc(F)cc1 ZINC000020674722 558399181 /nfs/dbraw/zinc/39/91/81/558399181.db2.gz MXCAJKXVLWKSTG-VQTJNVASSA-N 1 0 424.476 2.354 40 0 HEABRO Cc1ccc([C@@H](CNC(=O)c2cc(-c3cnn(C)c3)on2)N2CC[NH+](C)CC2)cc1 ZINC000022888261 558518939 /nfs/dbraw/zinc/51/89/39/558518939.db2.gz YJCVPFCTBSRHKH-HXUWFJFHSA-N 1 0 408.506 2.102 40 0 HEABRO C[NH+](C)CCCNC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O ZINC000013613906 558549479 /nfs/dbraw/zinc/54/94/79/558549479.db2.gz IHNCHIHHFCFEFR-UHFFFAOYSA-N 1 0 415.865 2.193 40 0 HEABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCC[NH+](C)C)c2ccc(C)cc2C)cc1 ZINC000013671912 558562786 /nfs/dbraw/zinc/56/27/86/558562786.db2.gz MXSBRZHATQEBRI-UHFFFAOYSA-N 1 0 403.548 2.485 40 0 HEABRO COc1ccc(N([C@H](C)C(=O)NCC[NH+]2CCCCC2)S(C)(=O)=O)cc1Cl ZINC000013678359 558565365 /nfs/dbraw/zinc/56/53/65/558565365.db2.gz QEJLZIVGJPKGSR-CQSZACIVSA-N 1 0 417.959 2.105 40 0 HEABRO Cc1csc([C@H](Cc2cccs2)NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)n1 ZINC000019240028 558858751 /nfs/dbraw/zinc/85/87/51/558858751.db2.gz HPGFJRATKNEXLP-ZBFHGGJFSA-N 1 0 406.577 2.323 40 0 HEABRO C[C@@H]1CCc2onc(C(=O)N3CCC[C@H](c4nc5c(c(=O)[nH]4)C[N@H+](C)CC5)C3)c2C1 ZINC000019497117 558895929 /nfs/dbraw/zinc/89/59/29/558895929.db2.gz FFVKRDIZNWKYLF-KGLIPLIRSA-N 1 0 411.506 2.303 40 0 HEABRO CCS(=O)(=O)N1CCC[C@H](c2nc3c(c(=O)[nH]2)C[N@H+](Cc2cccs2)CC3)C1 ZINC000019520312 558901200 /nfs/dbraw/zinc/90/12/00/558901200.db2.gz FYWFIXMTHBBLIW-AWEZNQCLSA-N 1 0 422.576 2.331 40 0 HEABRO COc1ccc(C[NH+]2CCC(O)(Cn3cnc4ccccc4c3=O)CC2)c(OC)c1 ZINC000019552212 558915876 /nfs/dbraw/zinc/91/58/76/558915876.db2.gz DKNZUMLBBNVJFQ-UHFFFAOYSA-N 1 0 409.486 2.441 40 0 HEABRO Cc1c(C(=O)N(C[C@H]2CCCO2)C2CC[NH+](C)CC2)nnn1-c1ccccc1F ZINC000019557779 558919811 /nfs/dbraw/zinc/91/98/11/558919811.db2.gz WNBPSNUSCAOPFU-QGZVFWFLSA-N 1 0 401.486 2.430 40 0 HEABRO COc1ccccc1C[N@@H+]1CC[C@H](c2nc3c(c(=O)[nH]2)CCN(C(=O)C2CCC2)C3)C1 ZINC000019570075 558929007 /nfs/dbraw/zinc/92/90/07/558929007.db2.gz BWOXSLARLVLJHP-SFHVURJKSA-N 1 0 422.529 2.453 40 0 HEABRO COc1ccc(OCC[N@@H+]2C[C@H](C(=O)N(C)C)[C@@]3(C2)COc2ccccc2C3=O)cc1 ZINC000019581377 558936837 /nfs/dbraw/zinc/93/68/37/558936837.db2.gz PRHAYIZFEKMCOU-HYBUGGRVSA-N 1 0 424.497 2.356 40 0 HEABRO C[N@@H+]1CCC[C@H](NC(=O)c2ccc(C3CCN(C(=O)c4ccccn4)CC3)nc2)C1 ZINC000072374434 558961953 /nfs/dbraw/zinc/96/19/53/558961953.db2.gz HOPHTGJTPAPXNC-IBGZPJMESA-N 1 0 407.518 2.320 40 0 HEABRO CC(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2c2ccc3c(=O)n(C)c(=O)n(C)c3n2)cc1 ZINC000072374610 558962433 /nfs/dbraw/zinc/96/24/33/558962433.db2.gz ZILHFARMQMLGQG-FQEVSTJZSA-N 1 0 421.501 2.318 40 0 HEABRO CC(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2c2ccc3c(=O)n(C)c(=O)n(C)c3n2)cc1 ZINC000072374609 558962529 /nfs/dbraw/zinc/96/25/29/558962529.db2.gz ZILHFARMQMLGQG-HXUWFJFHSA-N 1 0 421.501 2.318 40 0 HEABRO COc1cccc(C[N@H+]2C[C@@H]3CC[C@@](O)(c4cnc(OC)nc4OC)[C@@H]3C2)c1OC ZINC000072392594 558972372 /nfs/dbraw/zinc/97/23/72/558972372.db2.gz GSJIWGWUAIFMHL-WTBBCNCBSA-N 1 0 415.490 2.241 40 0 HEABRO COc1ccc(C[N@H+]2C[C@@H]3CC[C@@](O)(c4cnc(OC)nc4OC)[C@@H]3C2)cc1OC ZINC000072392581 558972443 /nfs/dbraw/zinc/97/24/43/558972443.db2.gz OECYYQTWTROTOS-LBUQITIBSA-N 1 0 415.490 2.241 40 0 HEABRO C[NH+](C)C[C@@H]1COc2ccccc2CN1C(=O)[C@H](Cc1ccccc1)NC(=O)C1CC1 ZINC000072394860 558973826 /nfs/dbraw/zinc/97/38/26/558973826.db2.gz NHLBVQOKHNKKMB-YADHBBJMSA-N 1 0 421.541 2.475 40 0 HEABRO CCC[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc(Cl)cc2OC)CC1 ZINC000585106112 559028437 /nfs/dbraw/zinc/02/84/37/559028437.db2.gz MWZDILWLSYJFDN-SJORKVTESA-N 1 0 405.926 2.411 40 0 HEABRO CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2cc(C3CC3)on2)CC1 ZINC000585106318 559028684 /nfs/dbraw/zinc/02/86/84/559028684.db2.gz SNRAGRVLZAMSCC-UAGQMJEPSA-N 1 0 400.523 2.393 40 0 HEABRO Cc1ccc(S(=O)(=O)N2CCC3(C[N@@H+](CC(C)C)C[C@@]34CCNC4=O)CC2)cc1 ZINC000096100445 559095478 /nfs/dbraw/zinc/09/54/78/559095478.db2.gz YOZXHBXXYGLNQT-JOCHJYFZSA-N 1 0 419.591 2.244 40 0 HEABRO CC[N@@H+]1C[C@H]2C3(CC[C@@]2(C(=O)NC)C1)CCN(C(=O)Cc1ccc(OC)cc1)CC3 ZINC000096143862 559096290 /nfs/dbraw/zinc/09/62/90/559096290.db2.gz PYQXGRVCCVBDCS-GBXCKJPGSA-N 1 0 413.562 2.324 40 0 HEABRO COCC[N@@H+]1CC2(CCN(C(=O)c3cc(C)cc(C)c3)CC2)[C@]2(CCN(C)C2=O)C1 ZINC000096144239 559096470 /nfs/dbraw/zinc/09/64/70/559096470.db2.gz NAIQQMDBHADGGF-XMMPIXPASA-N 1 0 413.562 2.336 40 0 HEABRO O=C(Nc1ccccc1)N1CCC2(CC1)NC(=O)[C@H]1C[N@H+](Cc3cccnc3)C[C@H]12 ZINC000096262201 559106428 /nfs/dbraw/zinc/10/64/28/559106428.db2.gz DOGDEINNIUALCK-VQTJNVASSA-N 1 0 405.502 2.326 40 0 HEABRO Cn1ccnc1COc1ccc(C[N@H+](C)C[C@@]2(O)CCN(c3ccccn3)C2)cc1 ZINC000585270705 559116562 /nfs/dbraw/zinc/11/65/62/559116562.db2.gz PHSJDQWKYCGHJF-QHCPKHFHSA-N 1 0 407.518 2.467 40 0 HEABRO C[NH+](C)CCOc1ccc(CN2CCOC[C@@](O)(COc3ccc(F)cc3)C2)cc1 ZINC000585271384 559116776 /nfs/dbraw/zinc/11/67/76/559116776.db2.gz HQMDPDQQPWPTSF-HSZRJFAPSA-N 1 0 418.509 2.408 40 0 HEABRO O=C(Cc1ccccc1)N1CC[C@](O)(C[NH2+]Cc2ccc(C(F)(F)F)cc2)[C@@H](O)C1 ZINC000585286257 559121776 /nfs/dbraw/zinc/12/17/76/559121776.db2.gz YEZUIYPCBZMCFJ-FPOVZHCZSA-N 1 0 422.447 2.362 40 0 HEABRO O=C(Cc1ccc(Cl)cc1)N1C[C@@H](O)[C@](O)(C[NH2+]CCc2ccc(Cl)cc2)C1 ZINC000585290326 559122809 /nfs/dbraw/zinc/12/28/09/559122809.db2.gz AHQOTMLCYMHTDW-CTNGQTDRSA-N 1 0 423.340 2.302 40 0 HEABRO COCC(=O)N1CC[N@@H+](C2CCCCC2)C[C@](O)(COc2cccc(F)c2F)C1 ZINC000585287585 559123131 /nfs/dbraw/zinc/12/31/31/559123131.db2.gz PCYGHAOWODELOC-OAQYLSRUSA-N 1 0 412.477 2.198 40 0 HEABRO CC(=O)N1CC[N@H+](CC2(O)CCCCC2)C[C@@](O)(COc2ccc(F)c(C)c2)C1 ZINC000585287504 559123170 /nfs/dbraw/zinc/12/31/70/559123170.db2.gz NJUUXGSAIMOAHL-QFIPXVFZSA-N 1 0 408.514 2.103 40 0 HEABRO CCOc1ncc(C2(O)[C@H]3CCC[C@H]2C[NH+](Cc2cnc(C)nc2)C3)c(OCC)n1 ZINC000100149764 559130764 /nfs/dbraw/zinc/13/07/64/559130764.db2.gz LQKQYZVVEYUZOT-ROUUACIJSA-N 1 0 413.522 2.492 40 0 HEABRO C[NH+]1CCC(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)CC1 ZINC000113932576 559182058 /nfs/dbraw/zinc/18/20/58/559182058.db2.gz PPHFFYGFMISQOV-UHFFFAOYSA-N 1 0 405.495 2.231 40 0 HEABRO C[NH+]1CCC(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000113936742 559182216 /nfs/dbraw/zinc/18/22/16/559182216.db2.gz WBCPUKFFLSBPOW-UHFFFAOYSA-N 1 0 405.495 2.231 40 0 HEABRO Cc1cc(C(=O)NC[C@]2(c3ccccc3)CC[C@@H](O)[C@H]([NH+]3CCOCC3)CC2)no1 ZINC000257328688 559283237 /nfs/dbraw/zinc/28/32/37/559283237.db2.gz XGSFGFXIKNHABF-MQSCRBSSSA-N 1 0 413.518 2.287 40 0 HEABRO O=C(NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCOCC2)CC1)C1CCOCC1 ZINC000257242477 559284185 /nfs/dbraw/zinc/28/41/85/559284185.db2.gz ICSYWELDKVLFPF-WPFOTENUSA-N 1 0 416.562 2.103 40 0 HEABRO Cn1ccnc1COc1ccc(C[NH2+]C[C@]2(O)CCN(c3ccc(F)cn3)C2)cc1 ZINC000257244733 559284260 /nfs/dbraw/zinc/28/42/60/559284260.db2.gz IMOXAGOBCXUAEE-JOCHJYFZSA-N 1 0 411.481 2.264 40 0 HEABRO COCCCNC(=S)N(CC[NH+](C)C)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000004133496 560600519 /nfs/dbraw/zinc/60/05/19/560600519.db2.gz RAKRCQPQQAREGE-UHFFFAOYSA-N 1 0 404.580 2.420 40 0 HEABRO CSCC[C@H]([NH3+])C(=O)NC[C@H]1CC[C@H](C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000100771372 560726279 /nfs/dbraw/zinc/72/62/79/560726279.db2.gz WNZLJUQGEOKOJG-LZWOXQAQSA-N 1 0 407.536 2.357 40 0 HEABRO COC(=O)C1C(C[NH+]2C[C@@H](C)C[C@H](C)C2)=NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000057731140 560808592 /nfs/dbraw/zinc/80/85/92/560808592.db2.gz HPQPUHWWPCAXES-YRVVQQKDSA-N 1 0 417.506 2.463 40 0 HEABRO C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000222812696 568527206 /nfs/dbraw/zinc/52/72/06/568527206.db2.gz FKCOSLQHYYYWDV-KRWDZBQOSA-N 1 0 411.568 2.088 40 0 HEABRO COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCC[NH+](C)C)cc1OC ZINC000225384822 568633312 /nfs/dbraw/zinc/63/33/12/568633312.db2.gz WPKRDACTLBLXQY-SSZFMOIBSA-N 1 0 403.504 2.214 40 0 HEABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000225562416 568651386 /nfs/dbraw/zinc/65/13/86/568651386.db2.gz OPAHMBTYFKIXQK-IBGZPJMESA-N 1 0 423.579 2.092 40 0 HEABRO Oc1cccnc1C[N@@H+]1CC[C@]2(C1)COCc1cnc(NCC3CCOCC3)nc12 ZINC000248069871 568747261 /nfs/dbraw/zinc/74/72/61/568747261.db2.gz XODVTMLTGWOKQK-QFIPXVFZSA-N 1 0 411.506 2.090 40 0 HEABRO CN1CCN(c2ncc3c(n2)[C@@]2(CC[N@H+](Cc4ccc5c(c4)CCC5)C2)COC3)CC1 ZINC000248100897 568747484 /nfs/dbraw/zinc/74/74/84/568747484.db2.gz DVHSOGHZCYGPLB-RUZDIDTESA-N 1 0 419.573 2.391 40 0 HEABRO COc1cc2c(cc1C[N@@H+]1CCC[C@H](c3n[nH]cc3C(=O)N(C)C)C1)OCCO2 ZINC000257215465 568780632 /nfs/dbraw/zinc/78/06/32/568780632.db2.gz CQFNVJQLMQHWPW-AWEZNQCLSA-N 1 0 400.479 2.271 40 0 HEABRO COc1cccc(O[C@@H]2C[C@@H](NC(=O)c3ccc(C)nc3)[C@H]([NH+]3CCCC3)[C@H]2O)c1 ZINC000257220863 568782274 /nfs/dbraw/zinc/78/22/74/568782274.db2.gz DMMHULRMMDJAOU-CZYKHXBRSA-N 1 0 411.502 2.174 40 0 HEABRO Cc1nn(C)cc1NC(=O)C[N@@H+]1[C@H](Cc2ccccc2)C[C@]2(C)NC(=O)CCC[C@H]12 ZINC000257223263 568782916 /nfs/dbraw/zinc/78/29/16/568782916.db2.gz DWOYQJPGJLMCMI-RFWXGWTQSA-N 1 0 409.534 2.411 40 0 HEABRO COc1cccc(O[C@@H]2C[C@@H](NC(=O)c3cccnc3)[C@H]([NH+]3CCCCC3)[C@H]2O)c1 ZINC000257231076 568785061 /nfs/dbraw/zinc/78/50/61/568785061.db2.gz GFCLDHBCEBMBEU-CZYKHXBRSA-N 1 0 411.502 2.255 40 0 HEABRO Cc1cc(N2CC[C@@](O)(CN(C)C(=O)c3cccc(C[NH3+])c3)C2)c2cnccc2n1 ZINC000257236462 568786521 /nfs/dbraw/zinc/78/65/21/568786521.db2.gz HCIHCPWEWAKHPR-HSZRJFAPSA-N 1 0 405.502 2.110 40 0 HEABRO 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 568787070 /nfs/dbraw/zinc/78/70/70/568787070.db2.gz HKQBLCFJMRLXKF-VOSKCVMKSA-N 1 0 422.529 2.034 40 0 HEABRO COc1ccc(C[N@@H+]2CC[C@@H](c3nc(C)c(CC(=O)N4CCOCC4)c(C)n3)C2)cc1 ZINC000257247539 568789545 /nfs/dbraw/zinc/78/95/45/568789545.db2.gz IZKQWTSWNQMTHD-HXUWFJFHSA-N 1 0 424.545 2.493 40 0 HEABRO CN(C[C@@]1(O)CCCN(c2cnccn2)C1)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000257272758 568796378 /nfs/dbraw/zinc/79/63/78/568796378.db2.gz NDSWKOWNNGAHIH-QHCPKHFHSA-N 1 0 409.534 2.176 40 0 HEABRO CCN(CC)S(=O)(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCCC2)CC1 ZINC000257295419 568803165 /nfs/dbraw/zinc/80/31/65/568803165.db2.gz QYFJNWJUAKXUFY-FKBYEOEOSA-N 1 0 423.623 2.500 40 0 HEABRO Cc1ccc2nccc(N3CC[C@@](O)(CN(C)C(=O)c4ccc(C[NH3+])cc4)C3)c2n1 ZINC000257325194 568811972 /nfs/dbraw/zinc/81/19/72/568811972.db2.gz WRXBKVNHUNTEIU-HSZRJFAPSA-N 1 0 405.502 2.110 40 0 HEABRO Cc1cnc(C(=O)NC[C@]2(c3ccccc3)CC[C@@H](O)[C@H]([NH+]3CCOCC3)CC2)cn1 ZINC000257339660 568815947 /nfs/dbraw/zinc/81/59/47/568815947.db2.gz ZCRAGMKJVYFELT-CQOQZXRMSA-N 1 0 424.545 2.089 40 0 HEABRO CN(Cc1ccccc1)C(=O)[C@@H]1C[N@H+](C)CC2(CCN(C(=O)c3ccco3)CC2)O1 ZINC000306127520 568890571 /nfs/dbraw/zinc/89/05/71/568890571.db2.gz GAONVXTWXLNLEE-FQEVSTJZSA-N 1 0 411.502 2.244 40 0 HEABRO CN(C)C(=O)NC[C@@H]1N(C(=O)Cc2cccc(F)c2)CCCC12CC[NH+](C)CC2 ZINC000306130046 568892543 /nfs/dbraw/zinc/89/25/43/568892543.db2.gz IUZKWSCNJYVACE-IBGZPJMESA-N 1 0 404.530 2.342 40 0 HEABRO O=c1c(=O)n(Cc2cccs2)nc2n1CC[C@@]21CC[N@@H+](Cc2cccc(F)c2)C1 ZINC000306131413 568893734 /nfs/dbraw/zinc/89/37/34/568893734.db2.gz KDWABVXMLRJXSL-OAQYLSRUSA-N 1 0 412.490 2.201 40 0 HEABRO COCCNC(=O)c1nnc2n1CC1(CC2)CC[NH+](Cc2cccc(F)c2)CC1 ZINC000306139625 568901322 /nfs/dbraw/zinc/90/13/22/568901322.db2.gz TWBXORBXMIDBBG-UHFFFAOYSA-N 1 0 401.486 2.022 40 0 HEABRO Cc1ccc(C[N@@H+]2CC[C@]3(CCn4c3nn(Cc3cccs3)c(=O)c4=O)C2)s1 ZINC000306143021 568904674 /nfs/dbraw/zinc/90/46/74/568904674.db2.gz XRCBYHHIZJAWSD-FQEVSTJZSA-N 1 0 414.556 2.432 40 0 HEABRO COc1c(F)cc(F)cc1CN1CCO[C@@]2(CCCC[C@@H]2[NH2+]CC(=O)N(C)C)C1 ZINC000306144560 568905837 /nfs/dbraw/zinc/90/58/37/568905837.db2.gz ZIRRCGMGGFPHTE-RXVVDRJESA-N 1 0 411.493 2.165 40 0 HEABRO O=C(CN1C(=O)COc2ccccc21)N1CCO[C@@]2(CCCC[C@H]2[NH+]2CCCC2)C1 ZINC000306144397 568905852 /nfs/dbraw/zinc/90/58/52/568905852.db2.gz ZECFCIYTVDPZMA-OFNKIYASSA-N 1 0 413.518 2.048 40 0 HEABRO COC(=O)c1ccc(Nc2cc(-c3ccccc3)nc(NCC[NH+](C)C)n2)cc1OC ZINC000329036653 568973905 /nfs/dbraw/zinc/97/39/05/568973905.db2.gz RKUFRNPOIAAZLB-UHFFFAOYSA-N 1 0 421.501 2.500 40 0 HEABRO CN(C)c1cn[nH+]c(N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)c1 ZINC000224314311 569057112 /nfs/dbraw/zinc/05/71/12/569057112.db2.gz BABQVJIOIBMPBC-UHFFFAOYSA-N 1 0 416.334 2.360 40 0 HEABRO C[C@@]12CC[C@@H](C[C@H]1C(=O)NCC[NH+]1CCCCC1)[C@@]1(C2)NC(=O)c2cccnc2N1 ZINC000253595710 569318305 /nfs/dbraw/zinc/31/83/05/569318305.db2.gz HRJRKHBJKIHOJX-OPDBOEGZSA-N 1 0 411.550 2.362 40 0 HEABRO CC[NH+]1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)CC3CCCCC3)C1)C2=O ZINC000019699909 569347152 /nfs/dbraw/zinc/34/71/52/569347152.db2.gz SVBPYDWUMQAPPV-SFHVURJKSA-N 1 0 404.555 2.354 40 0 HEABRO CCC(CC)C(=O)N1CCC(N2C(=O)NC3(CC[NH+](CC(C)C)CC3)C2=O)CC1 ZINC000019701363 569347247 /nfs/dbraw/zinc/34/72/47/569347247.db2.gz MCNLEYHRIMWYDI-UHFFFAOYSA-N 1 0 406.571 2.456 40 0 HEABRO CNc1cc(CN(C)CC(=O)N2CCCc3ccccc32)nc([C@H]2CCC[NH2+]C2)n1 ZINC000019709574 569348038 /nfs/dbraw/zinc/34/80/38/569348038.db2.gz VZIRFKIFQJGZTF-SFHVURJKSA-N 1 0 408.550 2.397 40 0 HEABRO C[NH2+]Cc1cc(N(C)C)nc([C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)n1 ZINC000019709602 569348090 /nfs/dbraw/zinc/34/80/90/569348090.db2.gz OFYDGMRDCUUXGW-INIZCTEOSA-N 1 0 403.552 2.139 40 0 HEABRO CN(C)c1cc(CN(C)CC(=O)Nc2ccc(F)cc2)nc([C@H]2CCC[NH2+]C2)n1 ZINC000019709738 569348127 /nfs/dbraw/zinc/34/81/27/569348127.db2.gz DPQMAUFYILYRBL-HNNXBMFYSA-N 1 0 400.502 2.219 40 0 HEABRO COc1ccccc1OCC(=O)N(C)Cc1cc(N(C)C)nc([C@H]2CCC[NH2+]C2)n1 ZINC000019709667 569428907 /nfs/dbraw/zinc/42/89/07/569428907.db2.gz XUNZSKCDSXNCGR-INIZCTEOSA-N 1 0 413.522 2.056 40 0 HEABRO CC(=O)N1CCC([N@@H+]2CCN3[C@H](CN(C(=O)c4ccccc4F)CC3(C)C)C2)CC1 ZINC000253406033 291202400 /nfs/dbraw/zinc/20/24/00/291202400.db2.gz UCRWMKWDQMVPNM-IBGZPJMESA-N 1 0 416.541 2.057 40 0 biogenic,in-vitro HEABRO CC(C)NC(=O)[C@H]1C[N@@H+]2CC[C@@H]1C[C@@H]2Cn1cc(CN(C)Cc2ccccc2)nn1 ZINC000008299219 291203457 /nfs/dbraw/zinc/20/34/57/291203457.db2.gz PYPXVEFUSIRPQE-FCEUIQTBSA-N 1 0 410.566 2.145 40 0 biogenic,in-vitro HEABRO CN1CCN(Cc2nc(C3(O)CCN(C(=O)c4ccccc4F)CC3)cs2)CC1 ZINC000225472866 291205442 /nfs/dbraw/zinc/20/54/42/291205442.db2.gz DQPOTQBQPYRKMW-UHFFFAOYSA-N 1 0 418.538 2.153 40 0 biogenic,in-vitro HEABRO CC[C@H]1CN(C(=O)NC(C)C)CC[C@H]1CC(=O)N(CC)C(=O)NCCC[NH+](C)C ZINC000008295584 291204896 /nfs/dbraw/zinc/20/48/96/291204896.db2.gz BBVQPMSLOCMTKE-ROUUACIJSA-N 1 0 411.591 2.352 40 0 biogenic,in-vitro HEABRO C[C@@]1(CO)C[N@H+](Cc2ccccc2)C[C@@H]2CN(C(=O)NC3CCCCC3)CCN21 ZINC000253394509 291210174 /nfs/dbraw/zinc/21/01/74/291210174.db2.gz BEMMPQOTFOZXAE-GGAORHGYSA-N 1 0 400.567 2.282 40 0 biogenic,in-vitro HEABRO Cc1nn(-c2ccccc2C)c(C)c1-c1cncn1CC[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000019719675 558258196 /nfs/dbraw/zinc/25/81/96/558258196.db2.gz KQKNUZDLLGALKM-GOSISDBHSA-N 1 0 413.547 2.438 40 0 HEABRO C[NH+]1CCC(NS(=O)(=O)c2ccc3c(c2)[C@@H](NC(=O)c2ccccc2)CC3)CC1 ZINC000019749536 558269092 /nfs/dbraw/zinc/26/90/92/558269092.db2.gz MCVXWUMDBJSRJA-NRFANRHFSA-N 1 0 413.543 2.476 40 0 HEABRO CCn1c2ccc(S(=O)(=O)NC[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc2oc1=O ZINC000012239176 558359942 /nfs/dbraw/zinc/35/99/42/558359942.db2.gz OMNHQYFKWYCVCS-KRWDZBQOSA-N 1 0 415.515 2.415 40 0 HEABRO CC[C@@H](CN1CC[NH+](C)CC1)NC(=O)Cc1c(C)nc(-c2ccccc2)nc1OC ZINC000022863803 558517878 /nfs/dbraw/zinc/51/78/78/558517878.db2.gz OAMBABBMLQOYSO-IBGZPJMESA-N 1 0 411.550 2.145 40 0 HEABRO COc1ccc2c(c1)c(C[NH+]1CCC(N3C[C@@H](C)O[C@@H](C)C3)CC1)cn2CC(N)=O ZINC000036741487 558802352 /nfs/dbraw/zinc/80/23/52/558802352.db2.gz FBQLRYYVPBUBAT-CALCHBBNSA-N 1 0 414.550 2.209 40 0 HEABRO O=C(C[C@H]1C=CCC1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](C1CCOCC1)CC2 ZINC000019014474 558836582 /nfs/dbraw/zinc/83/65/82/558836582.db2.gz PJHRBTUYFGMKHG-JXFKEZNVSA-N 1 0 412.534 2.327 40 0 HEABRO Cc1cc2nc([C@@H]3CCC[N@@H+](Cc4ccc5c(c4)n(C)c(=O)n5C)C3)cc(N)n2n1 ZINC000019129290 558845228 /nfs/dbraw/zinc/84/52/28/558845228.db2.gz VBERPDPEQVIPLC-MRXNPFEDSA-N 1 0 405.506 2.190 40 0 HEABRO CCS(=O)(=O)N1CCC(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000052167221 558858319 /nfs/dbraw/zinc/85/83/19/558858319.db2.gz LGXIEOCFPYMVML-UHFFFAOYSA-N 1 0 407.580 2.350 40 0 HEABRO CC(C)[N@@H+]1CCc2nc([C@@H]3CCCCN3C(=O)c3ccnc(N(C)C)c3)[nH]c(=O)c2C1 ZINC000019448184 558887180 /nfs/dbraw/zinc/88/71/80/558887180.db2.gz YFDAOBSDRCOAHE-IBGZPJMESA-N 1 0 424.549 2.365 40 0 HEABRO CC(C)NC(=O)[C@H]1C[C@H](C2CCN(S(=O)(=O)c3cccc(F)c3)CC2)[N@H+](C)C1 ZINC000019449780 558888461 /nfs/dbraw/zinc/88/84/61/558888461.db2.gz LLHCUDZYNQBIEJ-QFBILLFUSA-N 1 0 411.543 2.071 40 0 HEABRO C[C@@H]1CCc2onc(C(=O)N3CCC[C@@H](c4nc5c(c(=O)[nH]4)C[N@H+](C)CC5)C3)c2C1 ZINC000019497115 558895916 /nfs/dbraw/zinc/89/59/16/558895916.db2.gz FFVKRDIZNWKYLF-ZIAGYGMSSA-N 1 0 411.506 2.303 40 0 HEABRO O=C(c1ccc(C[NH+]2CCCCC2)o1)N1CCc2c(=O)[nH]c(N3CCCC3)nc2C1 ZINC000072346946 558943708 /nfs/dbraw/zinc/94/37/08/558943708.db2.gz NRWIYVIUKJODOE-UHFFFAOYSA-N 1 0 411.506 2.148 40 0 HEABRO CC1CC[NH+](CC2(NC(=O)Cn3nc(C(F)(F)F)nc3N)CCCCC2)CC1 ZINC000019654760 558948025 /nfs/dbraw/zinc/94/80/25/558948025.db2.gz VDKWXWFVRNSABS-UHFFFAOYSA-N 1 0 402.465 2.430 40 0 HEABRO COc1ccc(CCC(=O)N2CC[N@H+](C)C[C@H](Cc3cc(N(C)C)ncn3)C2)cc1 ZINC000072355156 558952615 /nfs/dbraw/zinc/95/26/15/558952615.db2.gz GIIDSHXDKUREQZ-IBGZPJMESA-N 1 0 411.550 2.117 40 0 HEABRO CC(=O)Nc1cccc(-c2nccnc2[C@@H]2CCC[N@H+](CC(=O)N3CCOCC3)C2)c1 ZINC000072358539 558954089 /nfs/dbraw/zinc/95/40/89/558954089.db2.gz IYDFEIDVUDECHK-LJQANCHMSA-N 1 0 423.517 2.140 40 0 HEABRO CC(=O)NCc1ccc([C@H]2C[N@@H+](Cc3cnc(C)s3)C[C@@H]2C(=O)N(C)C)cc1 ZINC000072370195 558956326 /nfs/dbraw/zinc/95/63/26/558956326.db2.gz TWIFLUXNVJOAPU-UXHICEINSA-N 1 0 400.548 2.391 40 0 HEABRO CNC(=O)c1cnc(C)nc1CCNC(=O)[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000019697295 558964893 /nfs/dbraw/zinc/96/48/93/558964893.db2.gz OAIAZZRIGYGRME-NRFANRHFSA-N 1 0 409.534 2.277 40 0 HEABRO CNc1nc([C@@H]2CCC[NH2+]2)nc2c1CCN(Cc1cc3c(cc1OC)OCCO3)C2 ZINC000019707270 558969450 /nfs/dbraw/zinc/96/94/50/558969450.db2.gz LWLDSSKXRFRFEB-INIZCTEOSA-N 1 0 411.506 2.281 40 0 HEABRO CN(C)c1cc([C@H]2CCC[NH2+]C2)nc(CN(C)C(=O)COc2ccc(F)cc2)n1 ZINC000019710028 558971904 /nfs/dbraw/zinc/97/19/04/558971904.db2.gz MGDAEPJOOVWUQG-HNNXBMFYSA-N 1 0 401.486 2.186 40 0 HEABRO CNc1nc([C@@H]2CCC[N@H+](C)C2)nc2c1CN(C(=O)COc1ccc(F)cc1)CC2 ZINC000019710311 558972215 /nfs/dbraw/zinc/97/22/15/558972215.db2.gz RWOYWRVICKNUKY-OAHLLOKOSA-N 1 0 413.497 2.430 40 0 HEABRO CNc1nc([C@H]2CCC[N@H+](C)C2)nc2c1CN(C(=O)CC1(O)CCCCC1)CC2 ZINC000019710553 558972554 /nfs/dbraw/zinc/97/25/54/558972554.db2.gz MWGAWBDZDNRLNI-INIZCTEOSA-N 1 0 401.555 2.298 40 0 HEABRO CNc1nc([C@@H]2CCC[N@H+](C)C2)nc2c1CN(C(=O)CC1(O)CCCCC1)CC2 ZINC000019710552 558972611 /nfs/dbraw/zinc/97/26/11/558972611.db2.gz MWGAWBDZDNRLNI-MRXNPFEDSA-N 1 0 401.555 2.298 40 0 HEABRO O=C(NCc1ccon1)[C@@H]1C[N@H+](Cc2ccc(-n3ccnc3)cc2)CC12CCOCC2 ZINC000585101965 559025022 /nfs/dbraw/zinc/02/50/22/559025022.db2.gz LEASSSPRZMQJAY-NRFANRHFSA-N 1 0 421.501 2.405 40 0 HEABRO Cc1nc(C)c(C[N@@H+]2C[C@@H](C(=O)NCc3ncc(C)cn3)C3(C2)CCOCC3)s1 ZINC000585101999 559025208 /nfs/dbraw/zinc/02/52/08/559025208.db2.gz VENZNOJSDYIOBA-KRWDZBQOSA-N 1 0 415.563 2.403 40 0 HEABRO Cc1ccccc1S(=O)(=O)N1CCC2(CO[C@@H](C[N@@H+]3CCC[C@@H](O)C3)C2)CC1 ZINC000585104243 559026867 /nfs/dbraw/zinc/02/68/67/559026867.db2.gz OPOZQYYXYAMFBD-RTBURBONSA-N 1 0 408.564 2.012 40 0 HEABRO C[C@@H]1CC[N@H+](C[C@@H]2CC3(CO2)CCN(S(=O)(=O)Cc2ccccc2)CC3)C[C@H]1O ZINC000585105135 559027650 /nfs/dbraw/zinc/02/76/50/559027650.db2.gz ZCYKQSSMODTAMS-HLAWJBBLSA-N 1 0 422.591 2.090 40 0 HEABRO CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc3c(c2)CCO3)CC1 ZINC000585106285 559028654 /nfs/dbraw/zinc/02/86/54/559028654.db2.gz NWQOTRXWLSEJKG-DBVUQKKJSA-N 1 0 411.546 2.463 40 0 HEABRO CCCC[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2cc(OC)cc(OC)c2)CC1 ZINC000585106265 559028701 /nfs/dbraw/zinc/02/87/01/559028701.db2.gz JDNSMFOXJKLYGJ-UXHICEINSA-N 1 0 415.534 2.157 40 0 HEABRO CN(C)C(=O)c1sc2nc([C@@]3(C)CCCN(C(=O)C[NH+](C)C)C3)ccc2c1N ZINC000585179641 559069732 /nfs/dbraw/zinc/06/97/32/559069732.db2.gz ZFFHSGKJBCIASZ-FQEVSTJZSA-N 1 0 403.552 2.022 40 0 HEABRO CNC(=O)c1sc2nc(C3(C)CCN(C(=O)C[NH+]4CCCC4)CC3)ccc2c1N ZINC000585182365 559070115 /nfs/dbraw/zinc/07/01/15/559070115.db2.gz PRQMCIPBQVKKBB-UHFFFAOYSA-N 1 0 415.563 2.214 40 0 HEABRO CC(C)CCN1[C@H]2CCN(C(=O)C[NH+](C)C)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC000096145826 559097555 /nfs/dbraw/zinc/09/75/55/559097555.db2.gz KRIXRADMYWGPQD-ROUUACIJSA-N 1 0 423.579 2.037 40 0 HEABRO COc1ccc(C[NH+]2CCC3(CC2)O[C@@H](C(=O)NCC2CC2)Cn2ccnc23)cc1 ZINC000096243593 559104782 /nfs/dbraw/zinc/10/47/82/559104782.db2.gz LRNQMRCGBPBDLS-HXUWFJFHSA-N 1 0 410.518 2.308 40 0 HEABRO COc1cccc(CC[NH2+]C[C@@]2(O)CCN(C(=O)c3ccc(Cl)cc3)C[C@@H]2O)c1 ZINC000585283190 559120505 /nfs/dbraw/zinc/12/05/05/559120505.db2.gz DBQSDSRYTUVSRZ-UNMCSNQZSA-N 1 0 418.921 2.119 40 0 HEABRO COc1ccc(S(=O)(=O)N(CC(=O)NC2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000113933287 559182233 /nfs/dbraw/zinc/18/22/33/559182233.db2.gz AFKWAUSSWQXIIG-UHFFFAOYSA-N 1 0 417.531 2.101 40 0 HEABRO CC(=O)N[C@H]1CC[C@](CNC(=O)CC[NH+]2CCCCC2)(c2ccccc2)CC[C@@H]1O ZINC000257258857 559284740 /nfs/dbraw/zinc/28/47/40/559284740.db2.gz KVUJCBYDTQVKTJ-FIXSFTCYSA-N 1 0 415.578 2.356 40 0 HEABRO COc1ccc(-c2cc(C[C@H]3C[NH2+]CC[C@H]3CC(=O)N3CCN(C)CC3)no2)cc1 ZINC000020504020 560093758 /nfs/dbraw/zinc/09/37/58/560093758.db2.gz HWBADRJOBIRDAT-OALUTQOASA-N 1 0 412.534 2.283 40 0 biogenic,in-vitro HEABRO CC(C)CNC(=S)N(CC[NH+](C)C)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000004160523 560601448 /nfs/dbraw/zinc/60/14/48/560601448.db2.gz VWKHNJNQFADVAQ-UHFFFAOYSA-N 1 0 418.563 2.193 40 0 HEABRO CCn1c(SCC[NH+]2CCCC2)nnc1[C@@H]1CCCN(C(=O)[C@H]2CCCO2)C1 ZINC000005001527 560620132 /nfs/dbraw/zinc/62/01/32/560620132.db2.gz HYOXXMHTZLVUQO-IAGOWNOFSA-N 1 0 407.584 2.371 40 0 HEABRO Cc1cc(=O)n2c(n1)NC(N1CCC([NH+]3CCCCC3)CC1)=N[C@@H]2c1cccnc1 ZINC000009265090 560757646 /nfs/dbraw/zinc/75/76/46/560757646.db2.gz BDTMLSTWDSPABD-FQEVSTJZSA-N 1 0 407.522 2.225 40 0 HEABRO COc1ccc(N([C@@H](C)C(=O)NCCC[NH+]2CCC(C)CC2)S(C)(=O)=O)cc1 ZINC000010540612 560769829 /nfs/dbraw/zinc/76/98/29/560769829.db2.gz DEBNTXHCBAGFMR-KRWDZBQOSA-N 1 0 411.568 2.088 40 0 HEABRO CS(=O)(=O)c1ccc(S(=O)(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000224801047 568597431 /nfs/dbraw/zinc/59/74/31/568597431.db2.gz NVVVUZUIAUYJFM-UHFFFAOYSA-N 1 0 408.545 2.164 40 0 HEABRO CNS(=O)(=O)c1cccc(C(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)c1 ZINC000225415165 568635606 /nfs/dbraw/zinc/63/56/06/568635606.db2.gz QOFISUDVPDTFBR-UHFFFAOYSA-N 1 0 403.504 2.320 40 0 HEABRO CN(CC(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1)S(=O)(=O)c1ccccc1 ZINC000225555353 568650810 /nfs/dbraw/zinc/65/08/10/568650810.db2.gz QRICSMQVKNDGEN-UHFFFAOYSA-N 1 0 417.531 2.419 40 0 HEABRO COc1ccccc1N(CCCC(=O)NCCC[NH+]1CCCCC1)S(C)(=O)=O ZINC000225653653 568660606 /nfs/dbraw/zinc/66/06/06/568660606.db2.gz FRVAEVYWJWFIGW-UHFFFAOYSA-N 1 0 411.568 2.234 40 0 HEABRO Cn1c2ccc(S(=O)(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3)cc2sc1=O ZINC000225682877 568663998 /nfs/dbraw/zinc/66/39/98/568663998.db2.gz HDOMSKISTOSXGO-UHFFFAOYSA-N 1 0 418.544 2.153 40 0 HEABRO C[NH+](C)CCOc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CCOCC2)cn1 ZINC000225944818 568688042 /nfs/dbraw/zinc/68/80/42/568688042.db2.gz VFGDRDJOEWENDZ-UHFFFAOYSA-N 1 0 413.474 2.438 40 0 HEABRO C[C@H]1CCC[N@H+](CCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)C1 ZINC000260899542 568743139 /nfs/dbraw/zinc/74/31/39/568743139.db2.gz LYOBYWQBNPDLNC-OALUTQOASA-N 1 0 407.580 2.326 40 0 HEABRO CN(C(=O)c1ccc(OCC[NH+](C)C)cc1)[C@@H]1CCCC[C@@H](n2ccnc2)[C@@H]1O ZINC000257203756 568777131 /nfs/dbraw/zinc/77/71/31/568777131.db2.gz ARMWWMYJAXVPRJ-NJDAHSKKSA-N 1 0 400.523 2.440 40 0 HEABRO CC(C)(C)c1ccc(OCC(N)=O)c(C[N@@H+]2CC[C@H](O)[C@@H](n3ccnc3)CC2)c1 ZINC000257226367 568783936 /nfs/dbraw/zinc/78/39/36/568783936.db2.gz FKIXXNUJSUZDCF-OALUTQOASA-N 1 0 400.523 2.243 40 0 HEABRO CC(=O)NC1CC[NH+](C[C@]2(O)CCCN(C(=O)c3cc4ccccc4[nH]3)CC2)CC1 ZINC000257313757 568808396 /nfs/dbraw/zinc/80/83/96/568808396.db2.gz UTZNELZVKHTPOI-QHCPKHFHSA-N 1 0 412.534 2.126 40 0 HEABRO C[NH+](C)[C@@H]1C[C@@H](C(N)=O)N(CC(=O)NCc2ccccc2Cl)[C@H]1c1ccccc1 ZINC000257321124 568810883 /nfs/dbraw/zinc/81/08/83/568810883.db2.gz WAEIAMZKRVHLOW-DYXWJJEUSA-N 1 0 414.937 2.187 40 0 HEABRO CN(CC1(O)CCN(c2ccnc3cccnc32)CC1)C(=O)c1ccc(C[NH3+])cc1 ZINC000257336624 568815252 /nfs/dbraw/zinc/81/52/52/568815252.db2.gz YPGLYIGXUZMEJM-UHFFFAOYSA-N 1 0 405.502 2.192 40 0 HEABRO Cc1ccc(C[N@@H+]2CC[C@]3(C2)Cn2c(nn(C4CCCC4)c(=O)c2=O)CO3)s1 ZINC000306123808 568886895 /nfs/dbraw/zinc/88/68/95/568886895.db2.gz AXMWTJWPWACBEZ-FQEVSTJZSA-N 1 0 402.520 2.065 40 0 HEABRO Cn1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2-c2c3cnn2CC[NH+](C)C)n1 ZINC000306126758 568889542 /nfs/dbraw/zinc/88/95/42/568889542.db2.gz FENULFZNFJKCLP-UHFFFAOYSA-N 1 0 420.517 2.369 40 0 HEABRO CC(C)n1cc(C[N@H+]2C[C@H]3Cc4nnc(C(=O)NCc5ccccc5)n4C[C@@H]3C2)cn1 ZINC000306127276 568889916 /nfs/dbraw/zinc/88/99/16/568889916.db2.gz FTYWOYQVZZJNBH-UXHICEINSA-N 1 0 419.533 2.290 40 0 HEABRO Cc1ccc(CNC(=O)[C@H]2C[N@@H+](C)CC3(CCN(C(=O)c4ccco4)CC3)O2)cc1 ZINC000306131990 568894229 /nfs/dbraw/zinc/89/42/29/568894229.db2.gz KVAYWQWMTYCDBZ-HXUWFJFHSA-N 1 0 411.502 2.210 40 0 HEABRO Cc1ccn2c(c1)ncc(C(=O)N1CCO[C@]3(CCCC[C@H]3[NH+]3CCCC3)C1)c2=O ZINC000306140164 568901786 /nfs/dbraw/zinc/90/17/86/568901786.db2.gz UMCQRENNTHRRAC-AUSIDOKSSA-N 1 0 410.518 2.253 40 0 HEABRO Cc1ccn2c(c1)ncc(C(=O)N1CCO[C@]3(CCCC[C@@H]3[NH+]3CCCC3)C1)c2=O ZINC000306140166 568901940 /nfs/dbraw/zinc/90/19/40/568901940.db2.gz UMCQRENNTHRRAC-WMZHIEFXSA-N 1 0 410.518 2.253 40 0 HEABRO CCOC(=O)[C@@]1(C[NH3+])[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218167126 568926879 /nfs/dbraw/zinc/92/68/79/568926879.db2.gz VZNMCNOMUINIOL-DYXWJJEUSA-N 1 0 417.483 2.172 40 0 HEABRO C[C@]1(N(CC[NH3+])S(=O)(=O)c2ccc(C3CCCCC3)cc2)CCS(=O)(=O)C1 ZINC000575420176 569025926 /nfs/dbraw/zinc/02/59/26/569025926.db2.gz ACMAFWNIGCCHPE-IBGZPJMESA-N 1 0 414.593 2.261 40 0 HEABRO CS(=O)(=O)N(CC(=O)NCCC[NH+]1CCCCC1)c1ccc(F)c(Cl)c1 ZINC000010278700 569343185 /nfs/dbraw/zinc/34/31/85/569343185.db2.gz PUMQQOQNNBWTMO-UHFFFAOYSA-N 1 0 405.923 2.237 40 0 HEABRO C[NH2+]Cc1cc(N(C)C)nc([C@H]2CCCN2S(=O)(=O)c2ccc(OC)c(C)c2)n1 ZINC000019760858 569429609 /nfs/dbraw/zinc/42/96/09/569429609.db2.gz RMOZFJNTKHMJLN-QGZVFWFLSA-N 1 0 419.551 2.105 40 0 HEABRO COCc1cc(C[C@H]2C[NH2+]CC[C@H]2CC(=O)NCc2ccc(OC)c(OC)c2)no1 ZINC000015673428 291206604 /nfs/dbraw/zinc/20/66/04/291206604.db2.gz AEIICKKMWOUMCL-IRXDYDNUSA-N 1 0 417.506 2.313 40 0 biogenic,in-vitro HEABRO CS(=O)(=O)N(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000044857282 525150525 /nfs/dbraw/zinc/15/05/25/525150525.db2.gz YAMOISLCQGPVAQ-UHFFFAOYSA-N 1 0 401.532 2.365 40 0 HEABRO CCCN1CCCc2cc(-c3cncn3CC[NH2+][C@@H]3CCS(=O)(=O)C3)ccc21 ZINC000019719577 558257865 /nfs/dbraw/zinc/25/78/65/558257865.db2.gz WVSMRQZRHWGCFS-LJQANCHMSA-N 1 0 402.564 2.489 40 0 HEABRO CC(C)N1CCCc2cc(-c3cncn3CC[NH2+][C@@H]3CCS(=O)(=O)C3)ccc21 ZINC000019719575 558257985 /nfs/dbraw/zinc/25/79/85/558257985.db2.gz RMPIELIJKVAAPZ-LJQANCHMSA-N 1 0 402.564 2.488 40 0 HEABRO C[C@@H](CNC(=O)c1cccn(CC(=O)Nc2ccc(F)cc2)c1=O)[NH+]1CCCCC1 ZINC000019750174 558270251 /nfs/dbraw/zinc/27/02/51/558270251.db2.gz DICHTVJALDALQJ-INIZCTEOSA-N 1 0 414.481 2.230 40 0 HEABRO C[C@H](CNC(=O)Cn1cccc(C(=O)Nc2ccc(F)cc2)c1=O)[NH+]1CCCCC1 ZINC000019750703 558270474 /nfs/dbraw/zinc/27/04/74/558270474.db2.gz XTFHLVRZTCWVOC-MRXNPFEDSA-N 1 0 414.481 2.230 40 0 HEABRO O=C(NCCC[NH+]1CCCC1)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000019934104 558311349 /nfs/dbraw/zinc/31/13/49/558311349.db2.gz MQQJLOQLYDQFGY-NRFANRHFSA-N 1 0 421.607 2.263 40 0 HEABRO O=C(Cc1ccc2c(c1)OCO2)NCC[NH+]1CCC(O)(c2ccc(F)cc2)CC1 ZINC000012326139 558383129 /nfs/dbraw/zinc/38/31/29/558383129.db2.gz UZNCXWWAMLOUGX-UHFFFAOYSA-N 1 0 400.450 2.197 40 0 HEABRO CCOC(=O)C1=C(O)NC(N2CCN(c3ccccc3F)CC2)=[NH+][C@@H]1c1ccccc1 ZINC000020636911 558396468 /nfs/dbraw/zinc/39/64/68/558396468.db2.gz CFNCQLHKNUXGSO-WOJBJXKFSA-N 1 0 424.476 2.354 40 0 HEABRO CN(C)S(=O)(=O)c1cccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)c1 ZINC000024189717 558591482 /nfs/dbraw/zinc/59/14/82/558591482.db2.gz HHTAUQJUVZTPLP-UHFFFAOYSA-N 1 0 401.532 2.463 40 0 HEABRO CC(=O)N1CCC(C(=O)NCCn2nc(-c3ccccc3F)cc2C[NH+](C)C)CC1 ZINC000019016780 558837099 /nfs/dbraw/zinc/83/70/99/558837099.db2.gz OTTLXDSODPCHKZ-UHFFFAOYSA-N 1 0 415.513 2.126 40 0 HEABRO Cc1csc([C@@H](Cc2cccs2)NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)n1 ZINC000019240029 558858675 /nfs/dbraw/zinc/85/86/75/558858675.db2.gz HPGFJRATKNEXLP-GOEBONIOSA-N 1 0 406.577 2.323 40 0 HEABRO CCN1CC[NH+](C2CCN(C(=O)CCc3nc(-c4cccs4)no3)CC2)CC1 ZINC000019528127 558909282 /nfs/dbraw/zinc/90/92/82/558909282.db2.gz IYXDUNYEZZMONK-UHFFFAOYSA-N 1 0 403.552 2.359 40 0 HEABRO COc1ccc(C[N@@H+]2CCC[C@@H](c3nc4c(c(=O)[nH]3)CN(C(=O)C3CC3)CC4)C2)cc1 ZINC000019555207 558918323 /nfs/dbraw/zinc/91/83/23/558918323.db2.gz MHHUIOSUSOPUIY-GOSISDBHSA-N 1 0 422.529 2.453 40 0 HEABRO CN(CC[NH+](C)C)CC(=O)N1C[C@H](c2csnn2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000019582465 558937282 /nfs/dbraw/zinc/93/72/82/558937282.db2.gz DHCBRJFGLMDEQS-SJORKVTESA-N 1 0 407.971 2.395 40 0 HEABRO COC[C@@H](C)NC(=O)CN1CCC2(CC1)Nc1cc(Cl)ccc1C1=[NH+]CCCN12 ZINC000072342679 558940663 /nfs/dbraw/zinc/94/06/63/558940663.db2.gz BAPFOACDBMAKPL-OAHLLOKOSA-N 1 0 419.957 2.161 40 0 HEABRO COc1cccc(OC)c1C(=O)N1CCN(C(=O)[C@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000019656002 558949028 /nfs/dbraw/zinc/94/90/28/558949028.db2.gz AWAMCEKDFBRHAR-GOSISDBHSA-N 1 0 415.534 2.395 40 0 HEABRO NC(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@@H](c3ccc(-c4ccccn4)cn3)C2)CC1 ZINC000019688735 558958187 /nfs/dbraw/zinc/95/81/87/558958187.db2.gz MFNCMEALODUCMY-LJQANCHMSA-N 1 0 407.518 2.047 40 0 HEABRO C=Cn1cc(C[NH+]2CCC(c3nc4c(c(=O)[nH]3)CN(C(=O)C3CC3)CC4)CC2)c(C)n1 ZINC000072399006 558976513 /nfs/dbraw/zinc/97/65/13/558976513.db2.gz GTWNBNUTPNGJBJ-UHFFFAOYSA-N 1 0 422.533 2.050 40 0 HEABRO Cc1ccccc1S(=O)(=O)N1CCC2(CO[C@H](C[N@@H+]3CCC[C@@H](O)C3)C2)CC1 ZINC000585104237 559026824 /nfs/dbraw/zinc/02/68/24/559026824.db2.gz OPOZQYYXYAMFBD-MOPGFXCFSA-N 1 0 408.564 2.012 40 0 HEABRO O=C1C[C@]2(CN1c1ccncn1)COCC[N@H+](Cc1ccc(-c3csnn3)cc1)C2 ZINC000585104480 559027028 /nfs/dbraw/zinc/02/70/28/559027028.db2.gz OJAULVXGDTZREW-NRFANRHFSA-N 1 0 422.514 2.251 40 0 HEABRO C[NH+](C)CCN1C[C@@H](c2ccccc2)[C@@]2(CN(C(=O)Cc3ccccc3)CCO2)C1=O ZINC000585106625 559028948 /nfs/dbraw/zinc/02/89/48/559028948.db2.gz CZFKQQCFUBGHDH-DHLKQENFSA-N 1 0 421.541 2.014 40 0 HEABRO COCC[N@@H+]1CC2(CCN(C(=O)Nc3ccc(C)cc3)CC2)[C@]2(CCN(C)C2=O)C1 ZINC000096144263 559096476 /nfs/dbraw/zinc/09/64/76/559096476.db2.gz VSLAMWAFRAMUQS-HSZRJFAPSA-N 1 0 414.550 2.420 40 0 HEABRO CCCc1cnc(Nc2ccnc(C3CCN(C(=O)[C@H]4C[NH2+]CCO4)CC3)n2)s1 ZINC000585263095 559111842 /nfs/dbraw/zinc/11/18/42/559111842.db2.gz JTQDRZQCEYRSFY-MRXNPFEDSA-N 1 0 416.551 2.324 40 0 HEABRO COc1ccc(C[N@H+](C)[C@@H]2CN(Cc3ccc(OCCCO)cc3)C[C@H]2O)cc1 ZINC000585269865 559116078 /nfs/dbraw/zinc/11/60/78/559116078.db2.gz NOYLHONYTJJCDQ-DHIUTWEWSA-N 1 0 400.519 2.134 40 0 HEABRO Cn1ccnc1COc1ccc(C[N@H+](C)C[C@]2(O)CCCN(c3ncccn3)C2)cc1 ZINC000585269898 559116114 /nfs/dbraw/zinc/11/61/14/559116114.db2.gz PBFZPKFJHVMHOK-HSZRJFAPSA-N 1 0 422.533 2.252 40 0 HEABRO CCOC(=O)N1CCC([N@@H+]2CCOC[C@](O)(COc3ccc(F)c(C)c3)C2)CC1 ZINC000585283133 559120495 /nfs/dbraw/zinc/12/04/95/559120495.db2.gz QCHOGFYVMMYBIY-NRFANRHFSA-N 1 0 410.486 2.197 40 0 HEABRO CCC(CC)[N@@H+]1CCN(C(=O)COC)C[C@](O)(COc2cc(F)cc(F)c2)C1 ZINC000585284577 559121115 /nfs/dbraw/zinc/12/11/15/559121115.db2.gz YOMBWBYWRGOQMD-FQEVSTJZSA-N 1 0 400.466 2.054 40 0 HEABRO O=C(CCc1ccccc1)N1CC[C@H](O)[C@@](O)(C[NH2+]Cc2cc(F)cc(F)c2)C1 ZINC000585284294 559121184 /nfs/dbraw/zinc/12/11/84/559121184.db2.gz JMFVJDNAKPROSI-RBBKRZOGSA-N 1 0 404.457 2.012 40 0 HEABRO CC(=O)N1CC[N@H+](CC2(O)CCCCCC2)C[C@@](O)(COc2ccc(F)c(C)c2)C1 ZINC000585284724 559121271 /nfs/dbraw/zinc/12/12/71/559121271.db2.gz ZFZOQXRYAPWVHJ-QHCPKHFHSA-N 1 0 422.541 2.493 40 0 HEABRO COc1ccccc1C[NH2+]C[C@@]1(O)CCN(C(=O)Cc2ccc(Cl)cc2)C[C@@H]1O ZINC000585286107 559121877 /nfs/dbraw/zinc/12/18/77/559121877.db2.gz VVMPFSFFCHDAAT-UNMCSNQZSA-N 1 0 418.921 2.005 40 0 HEABRO CCN(c1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1)S(C)(=O)=O ZINC000113945104 559182561 /nfs/dbraw/zinc/18/25/61/559182561.db2.gz ZRLDLDDNZJEYCQ-UHFFFAOYSA-N 1 0 416.547 2.477 40 0 HEABRO Cc1cc(C)n(CCOc2ccc(C[N@@H+]3CCC[C@]3(C)C(=O)NCCO)cc2)n1 ZINC000257236182 559284111 /nfs/dbraw/zinc/28/41/11/559284111.db2.gz HBCPWCQYZLESSW-JOCHJYFZSA-N 1 0 400.523 2.042 40 0 HEABRO O[C@H]1[C@H](CN2CCN(c3cccc(C(F)(F)F)c3)CC2)OC[C@@H]1[NH2+]C1CCCC1 ZINC000514288631 560034359 /nfs/dbraw/zinc/03/43/59/560034359.db2.gz JKMKZUUKHYLMRO-SLFFLAALSA-N 1 0 413.484 2.488 40 0 biogenic,in-vitro HEABRO Cc1cccc2cc(CN(CC[NH+](C)C)C(=S)NC[C@H]3CCCO3)c(=O)[nH]c12 ZINC000004133479 560600568 /nfs/dbraw/zinc/60/05/68/560600568.db2.gz ZGBOOLNXGGDBQB-GOSISDBHSA-N 1 0 402.564 2.254 40 0 HEABRO CC[NH+](CC)CCCN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C(=S)NC ZINC000004160530 560601559 /nfs/dbraw/zinc/60/15/59/560601559.db2.gz FHEGPJQZTNRNRC-UHFFFAOYSA-N 1 0 418.563 2.338 40 0 HEABRO COc1ccc(S(=O)(=O)NCCC[NH+]2CCCC2)cc1C(=O)N1CCC(C)CC1 ZINC000010539146 560769830 /nfs/dbraw/zinc/76/98/30/560769830.db2.gz XHOUXOPJJCUHPJ-UHFFFAOYSA-N 1 0 423.579 2.332 40 0 HEABRO CC[NH+]1CCN([C@H](c2nnnn2Cc2ccc3c(c2)OCO3)c2ccc(F)cc2)CC1 ZINC000019528010 560874752 /nfs/dbraw/zinc/87/47/52/560874752.db2.gz FOROIRCVIOWITM-NRFANRHFSA-N 1 0 424.480 2.316 40 0 HEABRO CCN(CC)C(=O)C[NH+]1CCC(c2cc3nc(N(CC)CC)ncc3c(=O)[nH]2)CC1 ZINC000057775391 568497419 /nfs/dbraw/zinc/49/74/19/568497419.db2.gz KZBOOGTZOGROQA-UHFFFAOYSA-N 1 0 414.554 2.212 40 0 HEABRO C[C@H](C(=O)NCCC[NH+]1CCC(C)CC1)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000224054642 568568083 /nfs/dbraw/zinc/56/80/83/568568083.db2.gz ALMKUNLDPCXIJT-OAHLLOKOSA-N 1 0 417.522 2.358 40 0 HEABRO COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)NCCC[NH+]1CCCC1 ZINC000224319125 568577675 /nfs/dbraw/zinc/57/76/75/568577675.db2.gz UUPNCNNNNSWXOW-UHFFFAOYSA-N 1 0 423.579 2.014 40 0 HEABRO CS(=O)(=O)N(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)Cc1ccccc1 ZINC000224518293 568583482 /nfs/dbraw/zinc/58/34/82/568583482.db2.gz FIHXZGZFXVYOTR-UHFFFAOYSA-N 1 0 415.559 2.360 40 0 HEABRO CS(=O)(=O)N(CC(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1ccccc1 ZINC000224598176 568587136 /nfs/dbraw/zinc/58/71/36/568587136.db2.gz PYGRAKJSPBUYST-UHFFFAOYSA-N 1 0 401.532 2.365 40 0 HEABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)CN(Cc1ccccc1F)S(C)(=O)=O ZINC000225829127 568678614 /nfs/dbraw/zinc/67/86/14/568678614.db2.gz UAFCEPYFMKKLEZ-GOSISDBHSA-N 1 0 413.559 2.358 40 0 HEABRO Cc1cc(-c2cnc(N)nc2)cc([C@@H]2CN(C(=O)CC[NH+]3CCC(C)CC3)CCO2)n1 ZINC000257273700 568796782 /nfs/dbraw/zinc/79/67/82/568796782.db2.gz NHTWZUATHYVHAA-NRFANRHFSA-N 1 0 424.549 2.451 40 0 HEABRO CNC(=O)c1sc2nc([C@@H]3CCCN3C(=O)C3CC[NH+](C)CC3)ccc2c1N ZINC000257278219 568797934 /nfs/dbraw/zinc/79/79/34/568797934.db2.gz OBIHJAJFZYCYLS-HNNXBMFYSA-N 1 0 401.536 2.243 40 0 HEABRO CC(=O)NC1CC[NH+](C[C@@]2(O)CCCN(C(=O)c3cc4ccccc4[nH]3)CC2)CC1 ZINC000257313756 568808280 /nfs/dbraw/zinc/80/82/80/568808280.db2.gz UTZNELZVKHTPOI-HSZRJFAPSA-N 1 0 412.534 2.126 40 0 HEABRO Cc1cccc(Nc2cncc(C3CC[NH+](CCC(=O)N4CCOCC4)CC3)n2)n1 ZINC000257317862 568809547 /nfs/dbraw/zinc/80/95/47/568809547.db2.gz VLMXMRLGIDZJFJ-UHFFFAOYSA-N 1 0 410.522 2.352 40 0 HEABRO Cc1ncsc1C[NH+]1CCC2(CCn3c2nn(Cc2ccccc2)c(=O)c3=O)CC1 ZINC000306126315 568889055 /nfs/dbraw/zinc/88/90/55/568889055.db2.gz DSIUEVKPYZLMND-UHFFFAOYSA-N 1 0 423.542 2.156 40 0 HEABRO Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCO[C@]2(CCCC[C@H]2[NH+]2CCCC2)C1 ZINC000306128456 568891221 /nfs/dbraw/zinc/89/12/21/568891221.db2.gz HAVWAOMBYRDTNU-CRAIPNDOSA-N 1 0 416.975 2.180 40 0 HEABRO Cn1cc(C[N@@H+]2C[C@@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccsc2)C3=O)cn1 ZINC000306129746 568892206 /nfs/dbraw/zinc/89/22/06/568892206.db2.gz ILNYPYIGQQHAJV-RBBKRZOGSA-N 1 0 423.542 2.274 40 0 HEABRO CN(C)C(=O)N1CCC[C@H]1c1nc(C(=O)NCC[NH+]2CCCCC2)c2ccccn21 ZINC000306131004 568893364 /nfs/dbraw/zinc/89/33/64/568893364.db2.gz JULFUFCIAXEDOB-SFHVURJKSA-N 1 0 412.538 2.369 40 0 HEABRO COc1ccc(NC(=O)c2nnc3n2C[C@@H]2C[N@@H+](Cc4ccncc4)C[C@@H]2C3)cc1 ZINC000306139303 568901054 /nfs/dbraw/zinc/90/10/54/568901054.db2.gz SUFDIQOYOOXGHX-IRXDYDNUSA-N 1 0 404.474 2.238 40 0 HEABRO Cc1cc(C)cc(C[N@@H+]2CC[C@]3(CCn4c3nn(Cc3ccccn3)c(=O)c4=O)C2)c1 ZINC000306142090 568903747 /nfs/dbraw/zinc/90/37/47/568903747.db2.gz WPDYFELKWIKOSL-DEOSSOPVSA-N 1 0 417.513 2.013 40 0 HEABRO C[C@@H]1CN(c2ncc3c(n2)[C@]2(CC[N@H+](Cc4ccc(O)cc4)C2)COC3)C[C@H](C)O1 ZINC000306142210 568903763 /nfs/dbraw/zinc/90/37/63/568903763.db2.gz WTMGLZOOEZPVDL-MFEFFIJZSA-N 1 0 410.518 2.470 40 0 HEABRO O=C(CN1C(=O)COc2ccccc21)N1CCO[C@]2(CCCC[C@@H]2[NH+]2CCCC2)C1 ZINC000306144396 568905858 /nfs/dbraw/zinc/90/58/58/568905858.db2.gz ZECFCIYTVDPZMA-NZQKXSOJSA-N 1 0 413.518 2.048 40 0 HEABRO Cc1nc(CN2CC3(CC[NH+](C)CC3)COc3ncccc3S2(=O)=O)cs1 ZINC000306145023 568906302 /nfs/dbraw/zinc/90/63/02/568906302.db2.gz ZVIRUISLVVLEPT-UHFFFAOYSA-N 1 0 408.549 2.142 40 0 HEABRO CC(C)C(=O)N1CCC[C@H](N2C(=O)NC3(CC[NH+](Cc4ccccc4)CC3)C2=O)C1 ZINC000019699396 569346987 /nfs/dbraw/zinc/34/69/87/569346987.db2.gz KAXBTIDAWMZAIO-IBGZPJMESA-N 1 0 412.534 2.220 40 0 HEABRO CN(C)c1ccc(C(=O)NC[C@H]2C[C@@H]3CCN2C[C@@H]3C[NH+]2CCSCC2)cc1 ZINC000020503863 291204932 /nfs/dbraw/zinc/20/49/32/291204932.db2.gz AXQQAEZASFLQCZ-IRFCIJBXSA-N 1 0 402.608 2.242 40 0 biogenic,in-vitro HEABRO C[C@@]1(CO)C[N@H+](Cc2ccccc2)C[C@@H]2CN(C(=O)CCc3ccccc3)CCN21 ZINC000253401490 291210185 /nfs/dbraw/zinc/21/01/85/291210185.db2.gz NASUWTOZLYAVTL-NOZRDPDXSA-N 1 0 407.558 2.399 40 0 biogenic,in-vitro HEABRO CC(=O)N1CCC([N@@H+]2CCC[C@@H](c3nccnc3-c3cccc(C(N)=O)c3)C2)CC1 ZINC000072359108 519510325 /nfs/dbraw/zinc/51/03/25/519510325.db2.gz LALMBESVQFCOLU-LJQANCHMSA-N 1 0 407.518 2.433 40 0 HEABRO CN(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)S(=O)(=O)c1ccccc1 ZINC000043805055 522483118 /nfs/dbraw/zinc/48/31/18/522483118.db2.gz ZYGSRDKNVTVQHY-UHFFFAOYSA-N 1 0 401.532 2.219 40 0 HEABRO C[NH+]1CCC(NS(=O)(=O)c2ccc3c(c2)[C@H](NC(=O)C2CCCC2)CC3)CC1 ZINC000019749552 558269119 /nfs/dbraw/zinc/26/91/19/558269119.db2.gz MLWSWPAOPGJSHT-HXUWFJFHSA-N 1 0 405.564 2.353 40 0 HEABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCC[NH+](C)C)c2cccc(C)c2C)cc1 ZINC000013647939 558557413 /nfs/dbraw/zinc/55/74/13/558557413.db2.gz AOIQYLYCCBZIEQ-UHFFFAOYSA-N 1 0 403.548 2.485 40 0 HEABRO O=C1NC(=O)C(c2cnc3ccccn32)=C1c1cn2c3c1cc(F)cc3C[NH2+]CC2 ZINC000137408685 558655082 /nfs/dbraw/zinc/65/50/82/558655082.db2.gz VCNHSKHGFXUGRH-UHFFFAOYSA-N 1 0 401.401 2.099 40 0 HEABRO O=S(=O)(c1ccccc1F)N1C[C@H]2CCC[N@@H+]2C[C@H]1Cn1nnc2ccccc21 ZINC000036735043 558801379 /nfs/dbraw/zinc/80/13/79/558801379.db2.gz JEFGUQIDXKWKJY-CVEARBPZSA-N 1 0 415.494 2.108 40 0 HEABRO CC(C)(C)c1nnc(NC(=O)CN2C[C@H]3CCC[C@@H](C2)C3[NH+]2CCOCC2)s1 ZINC000019084813 558840964 /nfs/dbraw/zinc/84/09/64/558840964.db2.gz XUEICJCHINOLGQ-FKEKPDDDSA-N 1 0 407.584 2.207 40 0 HEABRO Cc1ccc(C2(C[NH+]3CCC(NC(=O)C[C@H]4CCS(=O)(=O)C4)CC3)CC2)cc1 ZINC000019208348 558847532 /nfs/dbraw/zinc/84/75/32/558847532.db2.gz KIHGZTKSMNLELR-GOSISDBHSA-N 1 0 404.576 2.432 40 0 HEABRO OCCn1ncc(-c2ccnc(N3CCCC3)n2)c1[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000019404189 558884470 /nfs/dbraw/zinc/88/44/70/558884470.db2.gz BECVHGKLUADVEO-FQEVSTJZSA-N 1 0 412.538 2.249 40 0 HEABRO COc1cccc(CC(=O)N2CCC[C@@H]2c2nc3c(c(=O)[nH]2)C[N@@H+](C(C)C)CC3)c1 ZINC000019448273 558887159 /nfs/dbraw/zinc/88/71/59/558887159.db2.gz PXTVPVWEDUCVFD-HXUWFJFHSA-N 1 0 410.518 2.451 40 0 HEABRO CC(C)NC(=O)[C@@H]1C[C@@H](C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)[N@H+](C)C1 ZINC000019449766 558888424 /nfs/dbraw/zinc/88/84/24/558888424.db2.gz RBTNXVRBVQECEK-APWZRJJASA-N 1 0 411.543 2.071 40 0 HEABRO 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 ZINC000019497721 558896403 /nfs/dbraw/zinc/89/64/03/558896403.db2.gz BWSAXPSFDVMOGU-VURPSTOHSA-N 1 0 423.561 2.394 40 0 HEABRO C[N@@H+]1C[C@H](C(=O)Nc2ccc(F)cc2)C[C@@H]1C1CCN(C(=O)c2cnccn2)CC1 ZINC000019587625 558939831 /nfs/dbraw/zinc/93/98/31/558939831.db2.gz FSKVRIBFKQRMMP-OXQOHEQNSA-N 1 0 411.481 2.427 40 0 HEABRO COc1cc(OC)c(OC)cc1C[N@@H+]1CCc2nc(-c3ccncc3)[nH]c(=O)c2CC1 ZINC000019595009 558945921 /nfs/dbraw/zinc/94/59/21/558945921.db2.gz JFGXUYRABIXNNP-UHFFFAOYSA-N 1 0 422.485 2.459 40 0 HEABRO C[NH+]1CCN(c2cc(C(=O)N3CCN(c4nc5ccccc5s4)CC3)ccn2)CC1 ZINC000019654687 558948023 /nfs/dbraw/zinc/94/80/23/558948023.db2.gz URCJKQLUCZGCHJ-UHFFFAOYSA-N 1 0 422.558 2.406 40 0 HEABRO NC(=O)c1cccc(-c2ccc(C3CC[NH+](CCC(=O)N4CCOCC4)CC3)nc2)c1 ZINC000019689054 558958524 /nfs/dbraw/zinc/95/85/24/558958524.db2.gz LVCILSXUWFXXEK-UHFFFAOYSA-N 1 0 422.529 2.276 40 0 HEABRO C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C3CCN(C(=O)c4ccccn4)CC3)nc2)C1 ZINC000072374435 558961942 /nfs/dbraw/zinc/96/19/42/558961942.db2.gz HOPHTGJTPAPXNC-LJQANCHMSA-N 1 0 407.518 2.320 40 0 HEABRO CNc1nc(C2CC[NH+](C)CC2)nc2c1CCN(S(=O)(=O)c1ccccc1)C2 ZINC000019710826 558972884 /nfs/dbraw/zinc/97/28/84/558972884.db2.gz AAVVLKJTQATMMP-UHFFFAOYSA-N 1 0 401.536 2.075 40 0 HEABRO COCC(=O)N1CCC(c2nc3c(c(=O)[nH]2)C[N@H+](Cc2csc(C)c2)CC3)CC1 ZINC000072398970 558976545 /nfs/dbraw/zinc/97/65/45/558976545.db2.gz VQUZCERUJYTVOU-UHFFFAOYSA-N 1 0 416.547 2.051 40 0 HEABRO COc1cc(OC)cc(C(=O)N2CCC3(CO[C@H](C[N@@H+]4CCC[C@H](O)C4)C3)CC2)c1 ZINC000585103083 559026346 /nfs/dbraw/zinc/02/63/46/559026346.db2.gz CIIRWZWYQWNSES-RXVVDRJESA-N 1 0 418.534 2.172 40 0 HEABRO C[NH+](C)CCN1C[C@@H](c2ccccc2)[C@@]2(CN(C(=O)c3ccsc3)CCO2)C1=O ZINC000585107280 559027764 /nfs/dbraw/zinc/02/77/64/559027764.db2.gz SDZNIGIXIUDJQT-UGKGYDQZSA-N 1 0 413.543 2.147 40 0 HEABRO Cc1noc(C)c1C(=O)N1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](CC3CCCC3)C[C@@H]12 ZINC000585106333 559028670 /nfs/dbraw/zinc/02/86/70/559028670.db2.gz WJUDAEAGQSFMTG-MSOLQXFVSA-N 1 0 400.523 2.134 40 0 HEABRO Cn1nnc2c1[C@@H](COCC[NH+]1CCCC1)CN(C(=O)/C=C/c1cccs1)C2 ZINC000585110806 559031480 /nfs/dbraw/zinc/03/14/80/559031480.db2.gz JCZPBBOQSVCUBL-FYCOFBDGSA-N 1 0 401.536 2.128 40 0 HEABRO COCCNC(=O)[C@H]1C[N@@H+]2CC[C@@H]1C[C@@H]2Cn1cc(CSc2ccccc2)nn1 ZINC000008297635 559035415 /nfs/dbraw/zinc/03/54/15/559035415.db2.gz QXDLEPQGMNBOSM-POAQFYNOSA-N 1 0 415.563 2.043 40 0 biogenic,in-vitro HEABRO COc1ccc(C[NH+]2CCC3(CC2)O[C@H](C(=O)N2CCCC2)Cn2ccnc23)cc1 ZINC000096036830 559090659 /nfs/dbraw/zinc/09/06/59/559090659.db2.gz QVSHZDCLVMGGHQ-FQEVSTJZSA-N 1 0 410.518 2.404 40 0 HEABRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(S(=O)(=O)C3CC3)CC2)c2ccccc21 ZINC000096052916 559092680 /nfs/dbraw/zinc/09/26/80/559092680.db2.gz TYQFOYQTPKDJHW-KRWDZBQOSA-N 1 0 419.591 2.068 40 0 HEABRO Cc1ccc(S(=O)(=O)N2CCC3(C[N@@H+](CC(C)C)C[C@]34CCNC4=O)CC2)cc1 ZINC000096100446 559095383 /nfs/dbraw/zinc/09/53/83/559095383.db2.gz YOZXHBXXYGLNQT-QFIPXVFZSA-N 1 0 419.591 2.244 40 0 HEABRO COCC[N@@H+]1CC2(CCN(C(=O)c3sccc3C)CC2)[C@]2(CCN(C)C2=O)C1 ZINC000096144255 559096522 /nfs/dbraw/zinc/09/65/22/559096522.db2.gz TURNHCZAYLYNJE-OAQYLSRUSA-N 1 0 405.564 2.089 40 0 HEABRO COCCOc1cc(C[N@H+](C)C[C@@]2(O)CCN(c3ccc(F)cn3)C2)ccc1OC ZINC000585269617 559115595 /nfs/dbraw/zinc/11/55/95/559115595.db2.gz BZZZAOMPBFNOFM-QFIPXVFZSA-N 1 0 419.497 2.328 40 0 HEABRO C[NH+](C)CCOc1ccc(CN2CCOC[C@](O)(COc3ccc(F)cc3)C2)cc1 ZINC000585271392 559116796 /nfs/dbraw/zinc/11/67/96/559116796.db2.gz HQMDPDQQPWPTSF-QHCPKHFHSA-N 1 0 418.509 2.408 40 0 HEABRO CCOC(=O)N1CCC([N@@H+]2CCOC[C@@](O)(COc3ccc(F)c(F)c3)C2)CC1 ZINC000585282497 559120011 /nfs/dbraw/zinc/12/00/11/559120011.db2.gz LCRNGHXDVZJCPT-HXUWFJFHSA-N 1 0 414.449 2.028 40 0 HEABRO COCC(=O)N1CC[N@@H+](C2CCCCCC2)C[C@@](O)(COc2cccc(F)c2)C1 ZINC000585282664 559120193 /nfs/dbraw/zinc/12/01/93/559120193.db2.gz MLPUECVHXCEJKC-QFIPXVFZSA-N 1 0 408.514 2.449 40 0 HEABRO Cc1ccccc1CC[NH2+]C[C@@]1(O)CCN(C(=O)c2ccc(Cl)cc2)C[C@@H]1O ZINC000585285112 559121445 /nfs/dbraw/zinc/12/14/45/559121445.db2.gz NYZBIPPZKJGJDT-UNMCSNQZSA-N 1 0 402.922 2.419 40 0 HEABRO O=C(Cc1ccccc1)N1CC[C@](O)(C[NH2+]Cc2cccc(C(F)(F)F)c2)[C@@H](O)C1 ZINC000585285567 559121530 /nfs/dbraw/zinc/12/15/30/559121530.db2.gz QRSZQOMNOQNJMA-FPOVZHCZSA-N 1 0 422.447 2.362 40 0 HEABRO O=C(CCc1ccccc1)N1CC[C@@H](O)[C@](O)(C[NH2+]CCc2ccccc2Cl)C1 ZINC000585285872 559121752 /nfs/dbraw/zinc/12/17/52/559121752.db2.gz NJMAMPFYIUVFSK-GGAORHGYSA-N 1 0 416.949 2.429 40 0 HEABRO CCN1CC[C@@]2(CN(c3ncccn3)CC23CC[NH+](CC2CCOCC2)CC3)C1=O ZINC000097952904 559125069 /nfs/dbraw/zinc/12/50/69/559125069.db2.gz OUXYYSFZZWULQP-HSZRJFAPSA-N 1 0 413.566 2.044 40 0 HEABRO CC[NH+](CC)CCCNC(=S)N(CCO)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000004131623 560599723 /nfs/dbraw/zinc/59/97/23/560599723.db2.gz LHNMZOCKEJAJOD-UHFFFAOYSA-N 1 0 404.580 2.237 40 0 HEABRO CCc1ccc2[nH]c(=O)c(CN(CCO)C(=S)NCCC[NH+](CC)CC)cc2c1 ZINC000004131981 560599775 /nfs/dbraw/zinc/59/97/75/560599775.db2.gz SXKNDSHGJZEHSN-UHFFFAOYSA-N 1 0 418.607 2.491 40 0 HEABRO Cc1ccc2cc(CN(CC[NH+](C)C)C(=S)NC[C@@H]3CCCO3)c(=O)[nH]c2c1 ZINC000004133453 560600557 /nfs/dbraw/zinc/60/05/57/560600557.db2.gz ITWRDFCWHFGNKN-SFHVURJKSA-N 1 0 402.564 2.254 40 0 HEABRO COCCCNC(=S)N(CC[NH+](C)C)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000004133531 560600626 /nfs/dbraw/zinc/60/06/26/560600626.db2.gz IJDRPTHQWCZISP-UHFFFAOYSA-N 1 0 404.580 2.420 40 0 HEABRO COCCNC(=S)N(CCC[NH+](C)C)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000004162015 560602166 /nfs/dbraw/zinc/60/21/66/560602166.db2.gz YMUKTXHVRVOVRZ-UHFFFAOYSA-N 1 0 404.580 2.420 40 0 HEABRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[C@@H](O)CN1C(=O)Nc1ccccc1 ZINC000004986876 560619317 /nfs/dbraw/zinc/61/93/17/560619317.db2.gz GHVBHXBDUNEJDP-YADHBBJMSA-N 1 0 422.529 2.435 40 0 HEABRO C[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](N2C(=O)NC3(CC[NH+](Cc4ccccc4)CC3)C2=O)C1 ZINC000409412759 560723028 /nfs/dbraw/zinc/72/30/28/560723028.db2.gz YOZQFRRGZLGRGO-HOJAQTOUSA-N 1 0 424.545 2.220 40 0 HEABRO Cc1cc(=O)n2c(n1)NC(N1CCN(c3ccccn3)CC1)=[NH+][C@@H]2[C@@H]1CC=CCC1 ZINC000009289592 560757876 /nfs/dbraw/zinc/75/78/76/560757876.db2.gz JHDOQOYMUPSVDJ-XLIONFOSSA-N 1 0 405.506 2.405 40 0 HEABRO CC[NH+]1CCN([C@@H](c2nnnn2Cc2ccc(OC)cc2)c2ccc(OC)cc2)CC1 ZINC000019528025 560874680 /nfs/dbraw/zinc/87/46/80/560874680.db2.gz WYTDGYXRLKWLSI-JOCHJYFZSA-N 1 0 422.533 2.466 40 0 HEABRO COc1cccc(N(CCCC(=O)NCCC[NH+]2CCCCC2)S(C)(=O)=O)c1 ZINC000223275451 568543781 /nfs/dbraw/zinc/54/37/81/568543781.db2.gz NCHHYGIJQATSRK-UHFFFAOYSA-N 1 0 411.568 2.234 40 0 HEABRO COC(=O)c1cc(S(=O)(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)ccc1C ZINC000223825048 568559935 /nfs/dbraw/zinc/55/99/35/568559935.db2.gz UAUYEKGDNBRZIA-UHFFFAOYSA-N 1 0 403.504 2.334 40 0 HEABRO COc1ccc(N(CCCC(=O)NCCC[NH+]2CCCCC2)S(C)(=O)=O)cc1 ZINC000224357028 568579041 /nfs/dbraw/zinc/57/90/41/568579041.db2.gz JGDMJTFRJDAMCD-UHFFFAOYSA-N 1 0 411.568 2.234 40 0 HEABRO C[C@@H](C(=O)NCCC[N@@H+]1CCC[C@@H](C)C1)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000224797929 568597129 /nfs/dbraw/zinc/59/71/29/568597129.db2.gz AAAQDQHDVUSGHM-CABCVRRESA-N 1 0 417.522 2.358 40 0 HEABRO CN([C@@H](C(=O)NCCC[N@@H+]1CCc2ccccc2C1)c1ccccc1)S(C)(=O)=O ZINC000225764644 568672354 /nfs/dbraw/zinc/67/23/54/568672354.db2.gz JWDVTAHULBMFGW-OAQYLSRUSA-N 1 0 415.559 2.184 40 0 HEABRO CNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000257212721 568779836 /nfs/dbraw/zinc/77/98/36/568779836.db2.gz CERDGPYPEPTHTA-HSZRJFAPSA-N 1 0 410.518 2.191 40 0 HEABRO COc1cc2c(cc1C[N@@H+]1CCC[C@@H](c3n[nH]cc3C(=O)N(C)C)C1)OCCO2 ZINC000257215466 568780551 /nfs/dbraw/zinc/78/05/51/568780551.db2.gz CQFNVJQLMQHWPW-CQSZACIVSA-N 1 0 400.479 2.271 40 0 HEABRO Cc1cc(C(=O)NC[C@]2(c3ccccc3)CC[C@@H](O)[C@H]([NH+]3CCOCC3)CC2)on1 ZINC000257221879 568782501 /nfs/dbraw/zinc/78/25/01/568782501.db2.gz DQXSPTHHSXVKMC-TXTKFYIRSA-N 1 0 413.518 2.287 40 0 HEABRO [NH3+]CCCOc1cccc(C(=O)N2C[C@H](O)[C@H](Cc3ccnc4cccnc34)C2)c1 ZINC000257241878 568788140 /nfs/dbraw/zinc/78/81/40/568788140.db2.gz IAAKPHFHRODEKE-NQIIRXRSSA-N 1 0 406.486 2.033 40 0 HEABRO CS(=O)(=O)N1CCCC[C@@H]1c1nnc(C2CC[NH+](Cc3cccnc3)CC2)o1 ZINC000257250868 568790517 /nfs/dbraw/zinc/79/05/17/568790517.db2.gz JOJLLZWUPVGPNT-QGZVFWFLSA-N 1 0 405.524 2.331 40 0 HEABRO CC(C)[NH+]1CCC(C(=O)N2CCC3(CC2)C[C@@H](O)[C@H](c2ccccc2)NC3=O)CC1 ZINC000257314431 568808583 /nfs/dbraw/zinc/80/85/83/568808583.db2.gz UWXWUJMHMWFKHG-RTWAWAEBSA-N 1 0 413.562 2.338 40 0 HEABRO O=C1N(Cc2cccnc2)CCO[C@]12C[N@H+](Cc1ccccn1)C[C@@H]2c1cccnc1 ZINC000306123272 568886474 /nfs/dbraw/zinc/88/64/74/568886474.db2.gz AIVPHBAWXUAIHW-VWNXMTODSA-N 1 0 415.497 2.269 40 0 HEABRO O=c1c(=O)n(Cc2ccc(F)cc2)nc2n1C[C@]1(CC[N@H+](Cc3ccsc3)C1)C2 ZINC000306125014 568887880 /nfs/dbraw/zinc/88/78/80/568887880.db2.gz CEOSVTGCFICQFK-OAQYLSRUSA-N 1 0 412.490 2.102 40 0 HEABRO Cc1cccc(C[N@H+]2C[C@@H]3Cc4nnc(C(=O)NCc5ccccc5)n4C[C@@H]3C2)n1 ZINC000306127357 568890257 /nfs/dbraw/zinc/89/02/57/568890257.db2.gz FWRSIHHKEGEYJR-OALUTQOASA-N 1 0 402.502 2.216 40 0 HEABRO CCc1ccc(C[NH+]2CCC3(CCc4nnc(C(=O)NCCOC)n4C3)CC2)cc1 ZINC000306128955 568891693 /nfs/dbraw/zinc/89/16/93/568891693.db2.gz HPEWUROMOZWXQM-UHFFFAOYSA-N 1 0 411.550 2.445 40 0 HEABRO O=C(NCC1CC1)[C@]12CN(c3ncccn3)C[C@@H]1C[N@H+](Cc1ccccn1)CCC2 ZINC000306135603 568897493 /nfs/dbraw/zinc/89/74/93/568897493.db2.gz OVOJKVJXPMIZTI-WMZHIEFXSA-N 1 0 406.534 2.116 40 0 HEABRO O=C1N(Cc2cccnc2)CCO[C@]12C[N@H+](Cc1ccco1)C[C@H]2c1cccnc1 ZINC000306142992 568904725 /nfs/dbraw/zinc/90/47/25/568904725.db2.gz XQBGGIKSYJMMEF-GMAHTHKFSA-N 1 0 404.470 2.467 40 0 HEABRO C[C@]1([NH2+]CCNS(=O)(=O)c2ccc(C3CCCCC3)cc2)CCS(=O)(=O)C1 ZINC000575423125 569026320 /nfs/dbraw/zinc/02/63/20/569026320.db2.gz OHEXZQCDRYEEMI-IBGZPJMESA-N 1 0 414.593 2.179 40 0 HEABRO CC1CC[NH+](CCCNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)CC1 ZINC000004971466 569071744 /nfs/dbraw/zinc/07/17/44/569071744.db2.gz LFFKJWIBRMQVRX-UHFFFAOYSA-N 1 0 405.564 2.386 40 0 HEABRO COc1ccc(C)cc1N(CC(=O)NCC[NH+](C)C)S(=O)(=O)c1ccc(C)cc1 ZINC000010111546 569342895 /nfs/dbraw/zinc/34/28/95/569342895.db2.gz NOCJJIMQMHPBQV-UHFFFAOYSA-N 1 0 419.547 2.185 40 0 HEABRO CCCO[C@H]1CCC[N@H+](CC(=O)N2CC[C@@H](c3cc(=O)n4c(n3)CCCCC4)C2)C1 ZINC000019503781 569345637 /nfs/dbraw/zinc/34/56/37/569345637.db2.gz UMUHEGOBNPTIDY-MOPGFXCFSA-N 1 0 416.566 2.177 40 0 HEABRO C[C@H]1C[C@H]1C(=O)N1CCC(N2C(=O)NC3(CC[NH+](Cc4ccccc4)CC3)C2=O)CC1 ZINC000019699468 569346998 /nfs/dbraw/zinc/34/69/98/569346998.db2.gz GKJXCGGXJQJDDX-FXAWDEMLSA-N 1 0 424.545 2.220 40 0 HEABRO CC(C)C[NH+]1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)C3CCCC3)C1)C2=O ZINC000019699711 569347063 /nfs/dbraw/zinc/34/70/63/569347063.db2.gz MRDIZYMFVKZNPR-GOSISDBHSA-N 1 0 404.555 2.210 40 0 HEABRO C[NH2+]Cc1cc(N(C)C)nc([C@@H]2CCCN(CC(=O)Nc3ccc(OC)cc3)C2)n1 ZINC000019709557 569348116 /nfs/dbraw/zinc/34/81/16/569348116.db2.gz QBDSSHLCYWVPRS-MRXNPFEDSA-N 1 0 412.538 2.089 40 0 HEABRO CCN(CC)C(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cccc3c2OCO3)CN(C)C(=O)C1 ZINC000096113425 291204239 /nfs/dbraw/zinc/20/42/39/291204239.db2.gz NZXQNKCTJRLPHP-SJLPKXTDSA-N 1 0 403.523 2.391 40 0 biogenic,in-vitro HEABRO COc1ccccc1C(=O)N1CCN2[C@@H](C1)C[N@H+](Cc1ccccc1)C[C@@]2(C)CO ZINC000253399750 291209705 /nfs/dbraw/zinc/20/97/05/291209705.db2.gz JWTMAURAQMLPGZ-YKSBVNFPSA-N 1 0 409.530 2.088 40 0 biogenic,in-vitro HEABRO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)c2c(OC)cccc2OC)c1 ZINC000408569945 557467062 /nfs/dbraw/zinc/46/70/62/557467062.db2.gz REQFJIZMBIONQX-UHFFFAOYSA-N 1 0 413.474 2.495 40 0 HEABRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccccc1C ZINC000408709032 557737099 /nfs/dbraw/zinc/73/70/99/557737099.db2.gz OHZBLNQBXRBQOL-IBGZPJMESA-N 1 0 422.529 2.464 40 0 HEABRO CC(CO)(CO)[NH2+]Cc1cc2c(-c3cccc(F)c3)nn(-c3ccccc3)c2[nH]c1=O ZINC000012186515 558345666 /nfs/dbraw/zinc/34/56/66/558345666.db2.gz UVNWBJIYPGXLCO-UHFFFAOYSA-N 1 0 422.460 2.353 40 0 HEABRO C[NH+]1CCC(N(C[C@@H]2CCCO2)C(=O)c2cc(C(C)(C)C)n3ncnc3n2)CC1 ZINC000019083850 558840612 /nfs/dbraw/zinc/84/06/12/558840612.db2.gz AJMNEBLBQMNZAB-INIZCTEOSA-N 1 0 400.527 2.137 40 0 HEABRO CNC(=O)[C@@H]1C[N@H+](Cc2ccc(C)cc2OC)C[C@H]1c1ccnc(N2CCCC2)n1 ZINC000019134131 558845976 /nfs/dbraw/zinc/84/59/76/558845976.db2.gz FXPKLDINUUEWKB-RTBURBONSA-N 1 0 409.534 2.355 40 0 HEABRO C[C@@H]1CCC[N@H+](CCCNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000049761087 558850929 /nfs/dbraw/zinc/85/09/29/558850929.db2.gz PCOOBYJTYFWJEU-OAHLLOKOSA-N 1 0 401.960 2.199 40 0 HEABRO CC(C)[N@@H+]1CCc2nc([C@H]3CCCCN3C(=O)c3ccnc(N(C)C)c3)[nH]c(=O)c2C1 ZINC000019448186 558887136 /nfs/dbraw/zinc/88/71/36/558887136.db2.gz YFDAOBSDRCOAHE-LJQANCHMSA-N 1 0 424.549 2.365 40 0 HEABRO CC(C)NC(=O)[C@@H]1C[C@@H](C2CCN(S(=O)(=O)c3cccc(F)c3)CC2)[N@H+](C)C1 ZINC000019449774 558888414 /nfs/dbraw/zinc/88/84/14/558888414.db2.gz LLHCUDZYNQBIEJ-APWZRJJASA-N 1 0 411.543 2.071 40 0 HEABRO CC(=O)N1CCc2cc(NC(=O)[C@H](C)C[NH+]3CCN(c4ccccn4)CC3)ccc21 ZINC000019456197 558892151 /nfs/dbraw/zinc/89/21/51/558892151.db2.gz APPXXEHYAJEHDA-QGZVFWFLSA-N 1 0 407.518 2.387 40 0 HEABRO CCc1ncc(C[N@@H+]2C[C@H](C(=O)NC(C)C)[C@@H](c3ccnc(N4CCCC4)n3)C2)cn1 ZINC000019523456 558904608 /nfs/dbraw/zinc/90/46/08/558904608.db2.gz VQNHQDANAXSDKT-OALUTQOASA-N 1 0 423.565 2.169 40 0 HEABRO COc1ccccc1C[N@@H+]1CCc2nc([C@H]3CCN(C(=O)C4CC4)C3)[nH]c(=O)c2C1 ZINC000019570569 558929469 /nfs/dbraw/zinc/92/94/69/558929469.db2.gz NJJWZDDZOBYLGF-KRWDZBQOSA-N 1 0 408.502 2.475 40 0 HEABRO C[N@@H+]1CCc2nc([C@@H]3CCCN(C(=O)COc4ccccc4F)C3)[nH]c(=O)c2C1 ZINC000019590247 558940952 /nfs/dbraw/zinc/94/09/52/558940952.db2.gz MGZMAEHKRGKWEB-CQSZACIVSA-N 1 0 400.454 2.094 40 0 HEABRO CC(=O)Nc1cccc(-c2nccnc2[C@H]2CCC[N@H+](CC(=O)N3CCOCC3)C2)c1 ZINC000072358540 558954132 /nfs/dbraw/zinc/95/41/32/558954132.db2.gz IYDFEIDVUDECHK-IBGZPJMESA-N 1 0 423.517 2.140 40 0 HEABRO CCCO[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)C1 ZINC000072373110 558960808 /nfs/dbraw/zinc/96/08/08/558960808.db2.gz QLUOKWVKBBPIPS-RBUKOAKNSA-N 1 0 416.566 2.177 40 0 HEABRO C[N@@H+]1CCc2nc(C3CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)[nH]c(=O)c2C1 ZINC000072398680 558976394 /nfs/dbraw/zinc/97/63/94/558976394.db2.gz FUKJVWQUSXILIK-UHFFFAOYSA-N 1 0 405.502 2.188 40 0 HEABRO CC[C@H](C)C[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc3c(c2)CCO3)CC1 ZINC000585106122 559028415 /nfs/dbraw/zinc/02/84/15/559028415.db2.gz ODVDRKMPVZFQSP-DBVUQKKJSA-N 1 0 411.546 2.320 40 0 HEABRO O=C1NC2(CCN(S(=O)(=O)c3ccccc3)CC2)[C@H]2C[N@H+](CC3CCCC3)C[C@@H]12 ZINC000585106201 559028578 /nfs/dbraw/zinc/02/85/78/559028578.db2.gz CDEIMCZMNFPTNT-UXHICEINSA-N 1 0 417.575 2.078 40 0 HEABRO C[NH+](C)CCN1C[C@H](c2ccccc2)[C@]2(CN(C(=O)Cc3ccccc3)CCO2)C1=O ZINC000585106626 559028945 /nfs/dbraw/zinc/02/89/45/559028945.db2.gz CZFKQQCFUBGHDH-RCZVLFRGSA-N 1 0 421.541 2.014 40 0 HEABRO O=C(c1cccs1)N1CCC2(C[N@H+](Cc3cccnc3)C[C@]23CCNC3=O)CC1 ZINC000096036347 559090045 /nfs/dbraw/zinc/09/00/45/559090045.db2.gz LODBFLJMFLJBJX-QFIPXVFZSA-N 1 0 410.543 2.388 40 0 HEABRO COc1ccc(CNC(=O)[C@H]2Cn3ccnc3C3(CC[NH+](CC4CC4)CC3)O2)cc1 ZINC000096036726 559090540 /nfs/dbraw/zinc/09/05/40/559090540.db2.gz ISZRNGWROAIQCB-HXUWFJFHSA-N 1 0 410.518 2.308 40 0 HEABRO CN1CC[NH+](C[C@@H]2CO[C@@]3(C2)CCCN(C(=O)c2cccc4cccnc42)C3)CC1 ZINC000096075626 559094513 /nfs/dbraw/zinc/09/45/13/559094513.db2.gz UWNXBPIFUKVYHA-NTKDMRAZSA-N 1 0 408.546 2.494 40 0 HEABRO COc1cccc(C[N@@H+]2CCC[C@]3(CCN(S(=O)(=O)c4cn(C)cn4)C3)C2)c1 ZINC000096215607 559101697 /nfs/dbraw/zinc/10/16/97/559101697.db2.gz OJOYOAGEZLFRMT-FQEVSTJZSA-N 1 0 404.536 2.106 40 0 HEABRO Cc1cncc(C(=O)N2Cc3ccccc3C3(CC[NH+](CC(=O)N(C)C)CC3)C2)c1 ZINC000096242435 559103986 /nfs/dbraw/zinc/10/39/86/559103986.db2.gz ZGRZZCRBHBNZQL-UHFFFAOYSA-N 1 0 406.530 2.468 40 0 HEABRO CN1CCN(C(=O)c2ccc3nnc([C@@H]4CC[N@H+](Cc5ccccc5)C4)n3c2)CC1 ZINC000096267514 559108256 /nfs/dbraw/zinc/10/82/56/559108256.db2.gz MYQXGJCJMAXCNO-LJQANCHMSA-N 1 0 404.518 2.106 40 0 HEABRO COc1ccc([C@H]2CN(CC(=O)NCCOc3ccccc3)[C@@H]3CC[NH2+]C[C@@H]32)cc1 ZINC000585261493 559109018 /nfs/dbraw/zinc/10/90/18/559109018.db2.gz ZYOHWNSPFZPREW-DNVJHFABSA-N 1 0 409.530 2.268 40 0 HEABRO COCC(=O)N1CC[N@@H+](C2CCCCC2)C[C@@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585284134 559120003 /nfs/dbraw/zinc/12/00/03/559120003.db2.gz VDVDHLAKKFALJW-NRFANRHFSA-N 1 0 412.477 2.198 40 0 HEABRO O=C(Cc1ccc(Cl)cc1)N1CC[C@](O)(C[NH2+]CCc2ccc(F)cc2)[C@@H](O)C1 ZINC000585283769 559120835 /nfs/dbraw/zinc/12/08/35/559120835.db2.gz HJNUBLCAQQCJTD-UNMCSNQZSA-N 1 0 420.912 2.178 40 0 HEABRO COc1cccc(C[NH2+]C[C@@]2(O)CN(C(=O)Cc3ccc(Cl)cc3)CC[C@@H]2O)c1 ZINC000585284316 559121133 /nfs/dbraw/zinc/12/11/33/559121133.db2.gz JREJWGYOIFVJOK-RBBKRZOGSA-N 1 0 418.921 2.005 40 0 HEABRO Cc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1NS(C)(=O)=O ZINC000113942297 559182566 /nfs/dbraw/zinc/18/25/66/559182566.db2.gz ARYZDEQFJUWCHH-UHFFFAOYSA-N 1 0 402.520 2.371 40 0 HEABRO COC(=O)c1cccc(CN2C[C@@H]3C[C@@H](O)CN3C3(C[NH+](C4CCCCC4)C3)C2)c1 ZINC000514290419 560029589 /nfs/dbraw/zinc/02/95/89/560029589.db2.gz YSCFOHQGJNZUKQ-FCHUYYIVSA-N 1 0 413.562 2.111 40 0 biogenic,in-vitro HEABRO CCCNC(=S)N(CCC[NH+](C)C)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000004216182 560603963 /nfs/dbraw/zinc/60/39/63/560603963.db2.gz IHYMIOQWVNZRPY-UHFFFAOYSA-N 1 0 404.536 2.295 40 0 HEABRO Cc1cc(C)c(NC(=O)C[S@@](=O)CC(=O)NCC[NH+]2CCCCCC2)c(C)c1 ZINC000015935833 560857404 /nfs/dbraw/zinc/85/74/04/560857404.db2.gz HZFSRHGXKWRVHM-MUUNZHRXSA-N 1 0 407.580 2.291 40 0 HEABRO CC[NH+]1CCN([C@H](c2nnnn2C(C)(C)C)c2cc3cc(C)ccc3[nH]c2=O)CC1 ZINC000019527930 560874756 /nfs/dbraw/zinc/87/47/56/560874756.db2.gz GHEVQZAESYHLBB-IBGZPJMESA-N 1 0 409.538 2.305 40 0 HEABRO COCCc1nccc(C[C@H]2[C@H]([NH2+]Cc3ccc(Cl)cc3)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382193 568489403 /nfs/dbraw/zinc/48/94/03/568489403.db2.gz JTJSLBIBIMTWLE-UAFMIMERSA-N 1 0 405.926 2.009 40 0 biogenic,in-vitro HEABRO OC[C@H]1[C@H](O)C[C@@H]([NH2+]Cc2ccccn2)[C@@H]1Cc1ccnc(-c2ccccc2F)n1 ZINC000604382636 568489542 /nfs/dbraw/zinc/48/95/42/568489542.db2.gz WIQKPOMQLZJSFQ-UGESXGAOSA-N 1 0 408.477 2.368 40 0 biogenic,in-vitro HEABRO COc1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@]2(c4ccccc4NC2=O)[N@H+]2CCC[C@@H]32)c1 ZINC000033821726 568521646 /nfs/dbraw/zinc/52/16/46/568521646.db2.gz GMNXXRIOIFEQEK-KEXUJGGDSA-N 1 0 403.438 2.126 40 0 HEABRO CS(=O)(=O)N(CC(=O)NCCC[N@@H+]1CCc2ccccc2C1)Cc1ccccc1 ZINC000222816037 568527166 /nfs/dbraw/zinc/52/71/66/568527166.db2.gz NEUCUWJNUUVVDA-UHFFFAOYSA-N 1 0 415.559 2.013 40 0 HEABRO CCS(=O)(=O)N1CCC(C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000224695302 568592443 /nfs/dbraw/zinc/59/24/43/568592443.db2.gz CHTCBHTZNPPSNL-UHFFFAOYSA-N 1 0 407.580 2.350 40 0 HEABRO CC[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000225086628 568613278 /nfs/dbraw/zinc/61/32/78/568613278.db2.gz HFEPVXAJTUEBOJ-INIZCTEOSA-N 1 0 407.536 2.273 40 0 HEABRO C[NH+](C)CCCNS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1 ZINC000225744843 568670625 /nfs/dbraw/zinc/67/06/25/568670625.db2.gz BTJDHRDMCXIQMK-UHFFFAOYSA-N 1 0 405.545 2.341 40 0 HEABRO CN(C[C@]1(O)CCCN(c2ccnc3ccncc32)C1)C(=O)c1ccc(C[NH3+])cc1 ZINC000257228351 568784457 /nfs/dbraw/zinc/78/44/57/568784457.db2.gz FTMPLQZYAZNKOP-HSZRJFAPSA-N 1 0 405.502 2.192 40 0 HEABRO COc1ccc(CCNC(=O)[C@H]2C[N@H+](C)C[C@H]2c2ccc(CNC(C)=O)cc2)cc1 ZINC000257261024 568793104 /nfs/dbraw/zinc/79/31/04/568793104.db2.gz LFLMWHWCPKWNEF-GOTSBHOMSA-N 1 0 409.530 2.335 40 0 HEABRO Cc1cc(N2CCC[C@@](O)(CNC(=O)c3ccc(C[NH3+])cc3)C2)c2cnccc2n1 ZINC000257270753 568795728 /nfs/dbraw/zinc/79/57/28/568795728.db2.gz MVNPIYRDXSEPSG-HSZRJFAPSA-N 1 0 405.502 2.158 40 0 HEABRO Cn1c2ccc(NC(=O)C[N@H+]3C[C@H]4[C@@H](C3)CCC[C@@H]4Cc3cncnc3)cc2oc1=O ZINC000257274747 568796901 /nfs/dbraw/zinc/79/69/01/568796901.db2.gz NMLILIYYJASXAK-ZHALLVOQSA-N 1 0 421.501 2.451 40 0 HEABRO CNC(=O)c1sc2nc([C@H]3CCCN3C(=O)C3CC[NH+](C)CC3)ccc2c1N ZINC000257278220 568797950 /nfs/dbraw/zinc/79/79/50/568797950.db2.gz OBIHJAJFZYCYLS-OAHLLOKOSA-N 1 0 401.536 2.243 40 0 HEABRO CC(=O)NC1CC[NH+](C[C@]2(O)CCCN(C(=O)c3cccc(Cl)c3)CC2)CC1 ZINC000257311117 568807640 /nfs/dbraw/zinc/80/76/40/568807640.db2.gz UIBVKONUBRDJNI-NRFANRHFSA-N 1 0 407.942 2.298 40 0 HEABRO CC(C)(C)c1ccc(C[N@@H+]2CC[C@H](O)[C@@H](n3ccnc3)CC2)c(OCC(N)=O)c1 ZINC000257340187 568816171 /nfs/dbraw/zinc/81/61/71/568816171.db2.gz ZEYTYMXBJUJZJK-OALUTQOASA-N 1 0 400.523 2.243 40 0 HEABRO Cc1ccsc1C[N@@H+]1CC[C@]2(CCn3c2nn(Cc2cccs2)c(=O)c3=O)C1 ZINC000306124744 568887635 /nfs/dbraw/zinc/88/76/35/568887635.db2.gz BYBPZJCCZGYAKZ-FQEVSTJZSA-N 1 0 414.556 2.432 40 0 HEABRO CN(C)C(=O)N1CCC[C@@H]1c1nc(C(=O)NCC[NH+]2CCCCC2)c2ccccn21 ZINC000306131003 568893316 /nfs/dbraw/zinc/89/33/16/568893316.db2.gz JULFUFCIAXEDOB-GOSISDBHSA-N 1 0 412.538 2.369 40 0 HEABRO CC(C)NC(=O)C1=NO[C@]2(C1)CN(C(=O)C1CCC1)CC[C@H]2[NH2+]Cc1ccccc1 ZINC000306132118 568894501 /nfs/dbraw/zinc/89/45/01/568894501.db2.gz KZEKREXTPHJBTB-NFBKMPQASA-N 1 0 412.534 2.217 40 0 HEABRO COc1cccc(C[N@@H+]2CC[C@@]3(CCn4c3nn(Cc3cccs3)c(=O)c4=O)C2)c1 ZINC000306136861 568898793 /nfs/dbraw/zinc/89/87/93/568898793.db2.gz QFFQAUZELUTHQM-JOCHJYFZSA-N 1 0 424.526 2.071 40 0 HEABRO O=C1N(Cc2ccncc2)CCO[C@@]12C[N@H+](Cc1cccnc1)C[C@@H]2c1cccnc1 ZINC000306138945 568900789 /nfs/dbraw/zinc/90/07/89/568900789.db2.gz SLIWMGSEEOHSOD-ISKFKSNPSA-N 1 0 415.497 2.269 40 0 HEABRO COc1c(F)cc(F)cc1CN1CCO[C@]2(CCCC[C@H]2[NH2+]CC(=O)N(C)C)C1 ZINC000306144561 568905824 /nfs/dbraw/zinc/90/58/24/568905824.db2.gz ZIRRCGMGGFPHTE-WIYYLYMNSA-N 1 0 411.493 2.165 40 0 HEABRO O=C(Nc1ccccc1Cl)N1CCN(c2cc(N3CCOCC3)cn[nH+]2)CC1 ZINC000224323109 569057368 /nfs/dbraw/zinc/05/73/68/569057368.db2.gz SIHFRROWRZWPDA-UHFFFAOYSA-N 1 0 402.886 2.321 40 0 HEABRO O=C(C1CCC1)N1CCC(N2C(=O)NC3(CC[NH+](Cc4ccccc4)CC3)C2=O)CC1 ZINC000019699450 569346931 /nfs/dbraw/zinc/34/69/31/569346931.db2.gz YBPUSSZNYQPBGB-UHFFFAOYSA-N 1 0 424.545 2.364 40 0 HEABRO CC(=O)N[C@H]1C[C@@H](CCNC(=O)C[NH+]2CCCC2)O[C@@H](c2cc(F)cc(F)c2)C1 ZINC000019712424 569348325 /nfs/dbraw/zinc/34/83/25/569348325.db2.gz NYVMWIYPPVTSDS-XUVXKRRUSA-N 1 0 409.477 2.292 40 0 HEABRO CN(CC(=O)N1CCCc2ccccc21)Cc1cc(N(C)C)nc([C@@H]2CCC[NH2+]2)n1 ZINC000019760142 569348893 /nfs/dbraw/zinc/34/88/93/569348893.db2.gz ZJJCXQHMQSCQHJ-IBGZPJMESA-N 1 0 408.550 2.378 40 0 HEABRO C[C@H]1CCC[N@H+](CCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)C1 ZINC000047110813 569352173 /nfs/dbraw/zinc/35/21/73/569352173.db2.gz LYOBYWQBNPDLNC-RBUKOAKNSA-N 1 0 407.580 2.326 40 0 HEABRO COCC(=O)NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2c1cc(-c2ccc(N(C)C)cc2)nc(C)n1 ZINC000015672632 291206041 /nfs/dbraw/zinc/20/60/41/291206041.db2.gz ROUGEFYRIPTVCD-TYPHKJRUSA-N 1 0 423.561 2.458 40 0 biogenic,in-vitro HEABRO COCCOc1ccnc(-c2noc([C@@H]3CCC[N@@H+]3C3CCN(C(C)=O)CC3)n2)c1 ZINC000035425046 291206627 /nfs/dbraw/zinc/20/66/27/291206627.db2.gz BREHAEXTPKBYCG-IBGZPJMESA-N 1 0 415.494 2.305 40 0 biogenic,in-vitro HEABRO C[NH+](C)CCNC(=O)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000044885915 521778421 /nfs/dbraw/zinc/77/84/21/521778421.db2.gz CBZCDXIXXCZQFM-UHFFFAOYSA-N 1 0 422.378 2.213 40 0 HEABRO COCc1nn2c(nnc3c2ccn(CCC[NH+](C)C)c3=O)c1-c1ccc(F)cc1 ZINC000040392107 523251022 /nfs/dbraw/zinc/25/10/22/523251022.db2.gz AHMCANNEAVDBJM-UHFFFAOYSA-N 1 0 410.453 2.343 40 0 HEABRO COc1ccc(S(=O)(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1NC(C)=O ZINC000007109225 557735016 /nfs/dbraw/zinc/73/50/16/557735016.db2.gz YGWUCCUNXCUYTA-UHFFFAOYSA-N 1 0 418.519 2.206 40 0 HEABRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000408709889 557738683 /nfs/dbraw/zinc/73/86/83/557738683.db2.gz ZAEXBMFLKJOHTE-GOSISDBHSA-N 1 0 408.502 2.156 40 0 HEABRO O=c1[nH]c2ccc(Cl)cc2c(N[C@@H]2C[NH+]3CCC2CC3)c1-c1nc2ccccc2[nH]1 ZINC000136833129 558262165 /nfs/dbraw/zinc/26/21/65/558262165.db2.gz VBIIUHUSFOLTIU-LJQANCHMSA-N 1 0 419.916 2.041 40 0 in-vitro HEABRO CC(C)[NH+]1CCC(NC(=O)Cn2cc(NC(=O)Cc3ccccc3F)cn2)CC1 ZINC000019749821 558269649 /nfs/dbraw/zinc/26/96/49/558269649.db2.gz MWOSSJDXUKZTMK-UHFFFAOYSA-N 1 0 401.486 2.192 40 0 HEABRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cccn(CC(=O)Nc2ccc(F)cc2)c1=O ZINC000019750165 558270279 /nfs/dbraw/zinc/27/02/79/558270279.db2.gz KYIIUNAMBHFWAP-INIZCTEOSA-N 1 0 414.481 2.230 40 0 HEABRO Cn1cc(C(=O)Nc2ccc(F)cc2)c(CC2CCN(C(=O)C[NH+](C)C)CC2)n1 ZINC000019754287 558273517 /nfs/dbraw/zinc/27/35/17/558273517.db2.gz OOAQSNKIKJHYLL-UHFFFAOYSA-N 1 0 401.486 2.154 40 0 HEABRO CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@@H]1c1ccc(O)c(OC)c1 ZINC000019818154 558288446 /nfs/dbraw/zinc/28/84/46/558288446.db2.gz FUBZXRVJNCWFDC-VQTJNVASSA-N 1 0 423.469 2.165 40 0 HEABRO Cc1cc(NCCNS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c2ccccc2[nH+]1 ZINC000012239427 558360143 /nfs/dbraw/zinc/36/01/43/558360143.db2.gz MXBMREBZMAETPJ-UHFFFAOYSA-N 1 0 412.471 2.379 40 0 HEABRO CCOC(=O)C1=C(O)NC(N2CCN(c3ccccc3F)CC2)=[NH+][C@@H]1c1ccccc1 ZINC000020636914 558396526 /nfs/dbraw/zinc/39/65/26/558396526.db2.gz CFNCQLHKNUXGSO-VQTJNVASSA-N 1 0 424.476 2.354 40 0 HEABRO CC[C@H](CN1CC[NH+](C)CC1)NC(=O)Cc1c(C)nc(-c2ccccc2)nc1OC ZINC000022461622 558490868 /nfs/dbraw/zinc/49/08/68/558490868.db2.gz OAMBABBMLQOYSO-LJQANCHMSA-N 1 0 411.550 2.145 40 0 HEABRO COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCCC[NH+]1CCCC1 ZINC000013613885 558549464 /nfs/dbraw/zinc/54/94/64/558549464.db2.gz OAHDBRHJYQPJJJ-UHFFFAOYSA-N 1 0 409.552 2.086 40 0 HEABRO C[C@@H](C(=O)NCC[NH+](C)C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000013632087 558552495 /nfs/dbraw/zinc/55/24/95/558552495.db2.gz KKFXXDYVLXEESH-INIZCTEOSA-N 1 0 405.520 2.311 40 0 HEABRO CC1CC[NH+](CCCNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 ZINC000017813087 558828019 /nfs/dbraw/zinc/82/80/19/558828019.db2.gz SPTJITJYAUYTMH-UHFFFAOYSA-N 1 0 407.580 2.326 40 0 HEABRO O=C(C1CCCC1)N1CCc2nc(C3CC[NH+](C4CCOCC4)CC3)[nH]c(=O)c2C1 ZINC000019014570 558836844 /nfs/dbraw/zinc/83/68/44/558836844.db2.gz WYVZJDREURGMIN-UHFFFAOYSA-N 1 0 414.550 2.203 40 0 HEABRO Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2nc3c(c(=O)[nH]2)CC[N@@H+](C(C)C)C3)cc1 ZINC000019211448 558848500 /nfs/dbraw/zinc/84/85/00/558848500.db2.gz PPKIQMYAGPDXKE-IBGZPJMESA-N 1 0 416.547 2.371 40 0 HEABRO O=C(CCC[NH+]1CCCC1)N1CCC[C@H](C2=NS(=O)(=O)c3ccccc3N2)C1 ZINC000019375629 558881673 /nfs/dbraw/zinc/88/16/73/558881673.db2.gz TUDQDCNRWIASJN-INIZCTEOSA-N 1 0 404.536 2.314 40 0 HEABRO Cc1ccc(S(=O)(=O)NCCNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000057154789 558887752 /nfs/dbraw/zinc/88/77/52/558887752.db2.gz WWDOYWYLWNJGDC-HXUWFJFHSA-N 1 0 415.559 2.302 40 0 HEABRO C[C@H]1CCc2onc(C(=O)N3CCC[C@H](c4nc5c(c(=O)[nH]4)C[N@H+](C)CC5)C3)c2C1 ZINC000019497118 558895941 /nfs/dbraw/zinc/89/59/41/558895941.db2.gz FFVKRDIZNWKYLF-KBPBESRZSA-N 1 0 411.506 2.303 40 0 HEABRO O=C(CC[NH+]1CCCC1)N[C@@H]1CCc2ccc(S(=O)(=O)NC3CCCC3)cc21 ZINC000072345785 558942279 /nfs/dbraw/zinc/94/22/79/558942279.db2.gz NMIPPLFBCTWDID-HXUWFJFHSA-N 1 0 405.564 2.497 40 0 HEABRO CN1CCN(S(=O)(=O)c2cccc(C(=O)NCCSc3ccccc3)c2)CC1 ZINC000061083042 558944386 /nfs/dbraw/zinc/94/43/86/558944386.db2.gz LDQFBIWYWYSBCR-UHFFFAOYSA-N 1 0 419.572 2.145 40 0 HEABRO COc1ccccc1N1CCN(C(=O)C[N@@H+]2CCC[C@@H](Cn3ccnc3C)C2)CC1 ZINC000019658087 558949899 /nfs/dbraw/zinc/94/98/99/558949899.db2.gz UBSBFCJJXQFEBN-HXUWFJFHSA-N 1 0 411.550 2.261 40 0 HEABRO Cc1nc([C@@H]2CCCN(C(=O)C[NH+](C)C)C2)nc2c1CCCN2Cc1ccccn1 ZINC000019706537 558968657 /nfs/dbraw/zinc/96/86/57/558968657.db2.gz ZTVLROKHTXRALQ-GOSISDBHSA-N 1 0 408.550 2.400 40 0 HEABRO CNc1nc([C@H]2CCC[N@H+](C)C2)nc2c1CN(S(=O)(=O)c1ccccc1)CC2 ZINC000019710300 558972040 /nfs/dbraw/zinc/97/20/40/558972040.db2.gz YLFNODMAJUUHKF-HNNXBMFYSA-N 1 0 401.536 2.075 40 0 HEABRO Cc1ccccc1S(=O)(=O)N1CCC2(CO[C@H](C[N@@H+]3CCC[C@H](O)C3)C2)CC1 ZINC000585104238 559026842 /nfs/dbraw/zinc/02/68/42/559026842.db2.gz OPOZQYYXYAMFBD-OALUTQOASA-N 1 0 408.564 2.012 40 0 HEABRO O=C(NCC1CC1)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@H+](Cc1cccnc1)CCC2 ZINC000096056150 559093943 /nfs/dbraw/zinc/09/39/43/559093943.db2.gz LZTFWMNOCHPQIH-REWPJTCUSA-N 1 0 406.534 2.116 40 0 HEABRO COCC[N@@H+]1C[C@@H]2C(=O)N(C)C3(CCN(C(=O)Nc4ccccc4C)CC3)[C@@H]2C1 ZINC000096143543 559096038 /nfs/dbraw/zinc/09/60/38/559096038.db2.gz LGEZRPWTQUNEJD-ZWKOTPCHSA-N 1 0 400.523 2.028 40 0 HEABRO COCC[N@@H+]1CC2(CCN(C(=O)c3ccc(Cl)cc3)CC2)[C@@]2(CCNC2=O)C1 ZINC000096144168 559096533 /nfs/dbraw/zinc/09/65/33/559096533.db2.gz YWQTZXFGNFCFMV-NRFANRHFSA-N 1 0 405.926 2.031 40 0 HEABRO C[N@@H+]1CCCN(C(=O)c2nc(-c3cn(C[C@H]4CCCO4)cn3)n3ccccc23)CC1 ZINC000096155148 559099385 /nfs/dbraw/zinc/09/93/85/559099385.db2.gz BONVLNYLUJZEAF-QGZVFWFLSA-N 1 0 408.506 2.155 40 0 HEABRO C[NH+](C)CCNC(=O)c1ccc2ccc(N3CCN(C(=O)c4ccccc4)CC3)n2c1 ZINC000096155982 559100114 /nfs/dbraw/zinc/10/01/14/559100114.db2.gz ZYBXUCKOWGDQBD-UHFFFAOYSA-N 1 0 419.529 2.193 40 0 HEABRO CN1CC[N@H+](Cc2ccccc2)C[C@@H]1c1nnc2ccc(C(=O)N3CCCC3)cn21 ZINC000096156629 559100546 /nfs/dbraw/zinc/10/05/46/559100546.db2.gz YKCYLQGNZHABIU-HXUWFJFHSA-N 1 0 404.518 2.454 40 0 HEABRO Cn1ccnc1COc1ccc(C[N@H+](C)C[C@@]2(O)CCCN(c3cnccn3)C2)cc1 ZINC000585269901 559116124 /nfs/dbraw/zinc/11/61/24/559116124.db2.gz PKISHXGRBJBXDW-QHCPKHFHSA-N 1 0 422.533 2.252 40 0 HEABRO COCC(=O)N1CC[N@@H+](C2CCCCCC2)C[C@](O)(COc2cccc(F)c2)C1 ZINC000585282662 559120202 /nfs/dbraw/zinc/12/02/02/559120202.db2.gz MLPUECVHXCEJKC-JOCHJYFZSA-N 1 0 408.514 2.449 40 0 HEABRO O=C(c1ccc(Cl)cc1)N1CC[C@](O)(C[NH2+]CCc2cccc(F)c2)[C@@H](O)C1 ZINC000585284339 559121142 /nfs/dbraw/zinc/12/11/42/559121142.db2.gz JWXPARHMXCOGBL-FPOVZHCZSA-N 1 0 406.885 2.249 40 0 HEABRO O=C(Cc1ccccc1)N1CC[C@](O)(C[NH2+]CCc2ccc(Cl)cc2)[C@@H](O)C1 ZINC000585286179 559121789 /nfs/dbraw/zinc/12/17/89/559121789.db2.gz WRYCELWGFLLFOA-UNMCSNQZSA-N 1 0 402.922 2.039 40 0 HEABRO COc1ccccc1C[NH2+]C[C@@]1(O)CN(C(=O)c2ccc(Cl)cc2)CC[C@@H]1O ZINC000585286121 559121798 /nfs/dbraw/zinc/12/17/98/559121798.db2.gz WAQOYLRKJOYPIU-PZJWPPBQSA-N 1 0 404.894 2.076 40 0 HEABRO CCOC(=O)N1CCC([N@@H+]2CC[C@H](O)[C@@](O)(COc3cc(C)cc(C)c3)C2)CC1 ZINC000585288121 559123333 /nfs/dbraw/zinc/12/33/33/559123333.db2.gz WTZLVMTVGOGXBI-UNMCSNQZSA-N 1 0 406.523 2.101 40 0 HEABRO O=C(Cc1ccc(Cl)cc1)N1C[C@@H](O)[C@](O)(C[NH2+]CCCc2ccccc2)C1 ZINC000585291044 559123539 /nfs/dbraw/zinc/12/35/39/559123539.db2.gz IHOAYQIZCQLUJK-IRLDBZIGSA-N 1 0 402.922 2.039 40 0 HEABRO Cc1cccc(C(=O)N2CCC3(C[N@H+](Cc4cccnc4)C[C@@]34CCNC4=O)CC2)n1 ZINC000097952847 559124905 /nfs/dbraw/zinc/12/49/05/559124905.db2.gz QUYLLTQSOZFOOU-XMMPIXPASA-N 1 0 419.529 2.030 40 0 HEABRO CCN1CC[C@]2(CN(c3ncccn3)CC23CC[NH+](CC2CCOCC2)CC3)C1=O ZINC000097952903 559125066 /nfs/dbraw/zinc/12/50/66/559125066.db2.gz OUXYYSFZZWULQP-QHCPKHFHSA-N 1 0 413.566 2.044 40 0 HEABRO COc1cccc(N(CC(=O)NC2CC[NH+](C)CC2)S(=O)(=O)c2ccccc2)c1 ZINC000113932866 559182254 /nfs/dbraw/zinc/18/22/54/559182254.db2.gz LGLMFBGYVYXUGZ-UHFFFAOYSA-N 1 0 417.531 2.101 40 0 HEABRO C[N@H+](Cc1cccc(CN2CCOCC2)c1)C[C@]1(O)CCN(c2ccc(F)cn2)C1 ZINC000257342593 559283447 /nfs/dbraw/zinc/28/34/47/559283447.db2.gz ZPJODAOYNDBMBD-HSZRJFAPSA-N 1 0 414.525 2.126 40 0 HEABRO CN(C)c1cc(N2CCC[C@](O)(C[NH2+]Cc3ccc(OCCF)cc3)C2)ncn1 ZINC000257264886 559284882 /nfs/dbraw/zinc/28/48/82/559284882.db2.gz LWJVFUJKSKLTER-NRFANRHFSA-N 1 0 403.502 2.012 40 0 HEABRO COc1ccccc1CN1CC2(C1)C[N@H+](CCc1ccccc1)C[C@@H]1C[C@@H](O)CN12 ZINC000514289492 560032585 /nfs/dbraw/zinc/03/25/85/560032585.db2.gz MNAQRQMNXUYEPE-XZOQPEGZSA-N 1 0 407.558 2.243 40 0 biogenic,in-vitro HEABRO CCCCNC(=S)N(CC[NH+](C)C)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000004160525 560601439 /nfs/dbraw/zinc/60/14/39/560601439.db2.gz RVFHHKNDIHGBPN-UHFFFAOYSA-N 1 0 418.563 2.338 40 0 HEABRO CCn1c(SCC[NH+]2CCCC2)nnc1[C@H]1CCCN(C(=O)[C@H]2CCCO2)C1 ZINC000005001528 560620129 /nfs/dbraw/zinc/62/01/29/560620129.db2.gz HYOXXMHTZLVUQO-DLBZAZTESA-N 1 0 407.584 2.371 40 0 HEABRO C[NH+](C)CCNC(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000010111651 560763818 /nfs/dbraw/zinc/76/38/18/560763818.db2.gz KRABUQGHJVLHJB-UHFFFAOYSA-N 1 0 413.902 2.352 40 0 HEABRO O=C(CN1CC[NH+](C2CCCCC2)CC1)Nc1ccc(C(=O)N2CCOCC2)cc1 ZINC000019332061 560872786 /nfs/dbraw/zinc/87/27/86/560872786.db2.gz SMZUVDRIOMJHDK-UHFFFAOYSA-N 1 0 414.550 2.048 40 0 HEABRO CC(C)(C)OC(=O)N[C@]1(C[NH3+])[C@@H](c2ccc(Br)cc2)[C@H]1S(C)(=O)=O ZINC000242687751 568455535 /nfs/dbraw/zinc/45/55/35/568455535.db2.gz UUVZOKGAQXAXDM-WOSRLPQWSA-N 1 0 419.341 2.182 40 0 HEABRO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)c2ccc(OC)cc2OC)c1 ZINC000021595793 568467649 /nfs/dbraw/zinc/46/76/49/568467649.db2.gz WKBJGWPQTICXRO-UHFFFAOYSA-N 1 0 413.474 2.495 40 0 HEABRO C[NH+]1CCC(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2cccs2)CC1 ZINC000219143339 568487218 /nfs/dbraw/zinc/48/72/18/568487218.db2.gz VDELDBDKQDPISJ-UHFFFAOYSA-N 1 0 411.524 2.293 40 0 HEABRO CN1c2ccccc2C(c2ccccc2)=C(C(=O)NC2CC[NH+](C)CC2)S1(=O)=O ZINC000219184185 568487762 /nfs/dbraw/zinc/48/77/62/568487762.db2.gz AFMKKWFSJNLDPO-UHFFFAOYSA-N 1 0 411.527 2.436 40 0 HEABRO OC[C@H]1[C@H](O)C[C@@H]([NH2+]CC2CCOCC2)[C@@H]1Cc1ccnc(-c2ccccc2F)n1 ZINC000604382676 568489508 /nfs/dbraw/zinc/48/95/08/568489508.db2.gz YRACQBCXOWKWCI-UGESXGAOSA-N 1 0 415.509 2.199 40 0 biogenic,in-vitro HEABRO OC[C@H]1[C@H](O)C[C@@H]([NH2+]C2Cc3ccccc3C2)[C@@H]1Cc1ccnc(-c2cccnc2)n1 ZINC000604382642 568489577 /nfs/dbraw/zinc/48/95/77/568489577.db2.gz WPUNJABMLINGBV-MOUTVQLLSA-N 1 0 416.525 2.196 40 0 biogenic,in-vitro HEABRO C[C@@H](C(=O)NCCC[NH+]1CCC(C)CC1)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000224054590 568567958 /nfs/dbraw/zinc/56/79/58/568567958.db2.gz ALMKUNLDPCXIJT-HNNXBMFYSA-N 1 0 417.522 2.358 40 0 HEABRO NC(=O)C1CCN(C(=O)C[NH+]2CCC(c3cccc(Nc4ccccn4)n3)CC2)CC1 ZINC000257258643 568792454 /nfs/dbraw/zinc/79/24/54/568792454.db2.gz KUXFRZKMDIJBSV-UHFFFAOYSA-N 1 0 422.533 2.124 40 0 HEABRO NC(=O)[C@]1(c2ccccn2)CCC[N@H+](CC2(O)CCN(c3ccccc3F)CC2)C1 ZINC000257278242 568797855 /nfs/dbraw/zinc/79/78/55/568797855.db2.gz OBLLYPAGLWBIBF-HSZRJFAPSA-N 1 0 412.509 2.071 40 0 HEABRO CN(C[C@]1(O)CCCN(c2ccnc3ccncc32)C1)C(=O)c1cccc(C[NH3+])c1 ZINC000257297773 568803836 /nfs/dbraw/zinc/80/38/36/568803836.db2.gz RISZRKBNPRUCKC-HSZRJFAPSA-N 1 0 405.502 2.192 40 0 HEABRO CC[N@H+](Cc1ccncc1)C[C@@]1(O)CCCN(C(=O)c2sc(N)nc2C)CC1 ZINC000257338517 568815542 /nfs/dbraw/zinc/81/55/42/568815542.db2.gz YXUJNMZNGHJTEM-HXUWFJFHSA-N 1 0 403.552 2.308 40 0 HEABRO O=c1c2c(nc3n1CC1(C3)CC[NH+](CC3CC3)CC1)CCN(Cc1cccnc1)C2 ZINC000306132238 568894411 /nfs/dbraw/zinc/89/44/11/568894411.db2.gz LCOZEAIUZPMKTB-UHFFFAOYSA-N 1 0 405.546 2.245 40 0 HEABRO CCc1ccc(C[N@@H+]2CC[C@@]3(C2)Cn2c(=O)c(=O)n(C4CCCC4)nc2CO3)cc1 ZINC000306138026 568899921 /nfs/dbraw/zinc/89/99/21/568899921.db2.gz RNAYVYCLEKWTOF-HSZRJFAPSA-N 1 0 410.518 2.257 40 0 HEABRO O=C1N(Cc2ccncc2)CCO[C@]12C[N@H+](Cc1cccnc1)C[C@@H]2c1cccnc1 ZINC000306138948 568900903 /nfs/dbraw/zinc/90/09/03/568900903.db2.gz SLIWMGSEEOHSOD-VWNXMTODSA-N 1 0 415.497 2.269 40 0 HEABRO CN1Cc2nnc(C(=O)NC3CCCCC3)n2C[C@]12CC[N@H+](Cc1ccsc1)C2 ZINC000306141632 568903212 /nfs/dbraw/zinc/90/32/12/568903212.db2.gz WCMRHCGXGNMUBJ-OAQYLSRUSA-N 1 0 414.579 2.492 40 0 HEABRO Cc1ccc(C[N@@H+]2CC[C@@]3(CCn4c3nn(Cc3cccs3)c(=O)c4=O)C2)s1 ZINC000306143022 568904716 /nfs/dbraw/zinc/90/47/16/568904716.db2.gz XRCBYHHIZJAWSD-HXUWFJFHSA-N 1 0 414.556 2.432 40 0 HEABRO Cc1ncsc1C[N@H+]1C[C@@H]2Cc3nnc(C(=O)NCc4ccccc4)n3C[C@H]2C1 ZINC000306143527 568904897 /nfs/dbraw/zinc/90/48/97/568904897.db2.gz YEQICXSMTWMIGI-DLBZAZTESA-N 1 0 408.531 2.277 40 0 HEABRO COc1c(F)cc(F)cc1CN1CCO[C@@]2(CCCC[C@H]2[NH2+]CC(=O)N(C)C)C1 ZINC000306144559 568905840 /nfs/dbraw/zinc/90/58/40/568905840.db2.gz ZIRRCGMGGFPHTE-NQIIRXRSSA-N 1 0 411.493 2.165 40 0 HEABRO COc1cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(N)c2)cc(OC)c1OC ZINC000226263741 569278919 /nfs/dbraw/zinc/27/89/19/569278919.db2.gz LFDOXGDRWYMZEM-UHFFFAOYSA-N 1 0 400.479 2.299 40 0 HEABRO CN(C)CCN(CC1(c2ccc(Cl)cc2Cl)CC1)[C@H]1CS(=O)(=O)C[C@H]1O ZINC000248039284 569316047 /nfs/dbraw/zinc/31/60/47/569316047.db2.gz VHNRYGFZHVFUCZ-DLBZAZTESA-N 1 0 421.390 2.047 40 0 HEABRO C[NH+](C)CCCNC(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O ZINC000010111436 569342837 /nfs/dbraw/zinc/34/28/37/569342837.db2.gz SYYMVUBFYXEACJ-UHFFFAOYSA-N 1 0 419.547 2.100 40 0 HEABRO Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000019720306 569348512 /nfs/dbraw/zinc/34/85/12/569348512.db2.gz VOENVVZUKFYGOI-GOSISDBHSA-N 1 0 401.532 2.006 40 0 HEABRO CN(CC(=O)N1CCCc2ccccc21)Cc1cc(N(C)C)nc([C@H]2CCC[NH2+]2)n1 ZINC000019760145 569348885 /nfs/dbraw/zinc/34/88/85/569348885.db2.gz ZJJCXQHMQSCQHJ-LJQANCHMSA-N 1 0 408.550 2.378 40 0 HEABRO COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCC[NH+]3CCCCCC3)C2)cc1 ZINC000026111369 569349888 /nfs/dbraw/zinc/34/98/88/569349888.db2.gz KJQVVKWZCFXKDP-SFHVURJKSA-N 1 0 423.579 2.088 40 0 HEABRO CC(=O)N1CCC([N@@H+]2C[C@@H]3C[C@H]2C(=O)N(Cc2ccccn2)c2ccccc2O3)CC1 ZINC000096111865 291202633 /nfs/dbraw/zinc/20/26/33/291202633.db2.gz WTNZZJNUNBFNTR-UNMCSNQZSA-N 1 0 420.513 2.461 40 0 biogenic,in-vitro HEABRO CCS(=O)(=O)c1ccc2oc([C@H]3CC[N@@H+](C4CCN(C(C)=O)CC4)C3)nc2c1 ZINC000049169147 291204604 /nfs/dbraw/zinc/20/46/04/291204604.db2.gz VAIRZEMMCCNQNQ-HNNXBMFYSA-N 1 0 405.520 2.422 40 0 biogenic,in-vitro HEABRO O=C(NCc1cccnc1)[C@H]1C[N@H+]2CC[C@@H]1C[C@@H]2Cn1cc(-c2cccc(O)c2)nn1 ZINC000008254141 291212147 /nfs/dbraw/zinc/21/21/47/291212147.db2.gz MQIHTWHOIWUMTF-QFUCXCTJSA-N 1 0 418.501 2.073 40 0 biogenic,in-vitro HEABRO Cc1nn(-c2ccc(F)cc2)c(C)c1-c1cncn1CC[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000019719734 558258273 /nfs/dbraw/zinc/25/82/73/558258273.db2.gz RWLAOEIVVFALHI-KRWDZBQOSA-N 1 0 417.510 2.268 40 0 HEABRO O=C(Cn1cccc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)c1=O)N1CCCC1 ZINC000019749946 558270069 /nfs/dbraw/zinc/27/00/69/558270069.db2.gz MQHMXYMNZMDDGJ-UHFFFAOYSA-N 1 0 408.502 2.319 40 0 HEABRO [NH2+]=C(NC1=N[C@@H](CC(=O)Nc2ccc3c(c2)OCCO3)C(=O)N1)Nc1ccccc1 ZINC000022607370 558500919 /nfs/dbraw/zinc/50/09/19/558500919.db2.gz YSRXAUUSIJMTBT-AWEZNQCLSA-N 1 0 408.418 2.118 40 0 HEABRO COc1ccc(NC(=O)C[C@@H]2N=C(NC(=[NH2+])Nc3ccccc3)NC2=O)c(OC)c1 ZINC000022607422 558500934 /nfs/dbraw/zinc/50/09/34/558500934.db2.gz OSVQXEWZXNDMGC-HNNXBMFYSA-N 1 0 410.434 2.364 40 0 HEABRO CCOc1ccc(S(=O)(=O)N(CC(=O)NCC[NH+](C)C)c2ccc(C)cc2)cc1 ZINC000013670355 558561754 /nfs/dbraw/zinc/56/17/54/558561754.db2.gz ZGZZBJBSMDLHRT-UHFFFAOYSA-N 1 0 419.547 2.267 40 0 HEABRO COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@@H]([C@@H](C)O)[NH2+][C@]12C(=O)Nc1ccccc12 ZINC000035877469 558795542 /nfs/dbraw/zinc/79/55/42/558795542.db2.gz QMLNGBPKBHKELV-KSWWWXSASA-N 1 0 415.877 2.494 40 0 HEABRO Cc1ccc(C2(CNC(=O)C[C@@H]3C(=O)NCC[N@@H+]3C3CCCC3)CCOCC2)cc1 ZINC000019208658 558847745 /nfs/dbraw/zinc/84/77/45/558847745.db2.gz IONCGSMCOMBKEW-OAQYLSRUSA-N 1 0 413.562 2.293 40 0 HEABRO CC(C)[NH+]1CCN(CC(=O)N2C[C@@H](c3ccc(F)cc3)[C@H](c3csnn3)C2)CC1 ZINC000019447991 558886774 /nfs/dbraw/zinc/88/67/74/558886774.db2.gz JWGFZVYJCANWRW-RBUKOAKNSA-N 1 0 417.554 2.413 40 0 HEABRO Cc1ccc(S(=O)(=O)NCCNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000057154790 558887827 /nfs/dbraw/zinc/88/78/27/558887827.db2.gz WWDOYWYLWNJGDC-FQEVSTJZSA-N 1 0 415.559 2.302 40 0 HEABRO CCCC(=O)N1CCc2nc([C@@H]3CCC[N@H+](Cc4cnn(CC)c4)C3)[nH]c(=O)c2C1 ZINC000019501602 558899716 /nfs/dbraw/zinc/89/97/16/558899716.db2.gz FOBIOOBIKIRSPW-QGZVFWFLSA-N 1 0 412.538 2.051 40 0 HEABRO Cc1nc(C2CC[NH+](Cc3cnc(N(C)C)nc3)CC2)nc(N2CCOCC2)c1C ZINC000072337254 558937578 /nfs/dbraw/zinc/93/75/78/558937578.db2.gz WNZNILROLOOGHV-UHFFFAOYSA-N 1 0 411.554 2.166 40 0 HEABRO COC(=O)[C@@]1(CCN2CCOCC2)C(=O)C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cc1 ZINC000072340195 558938922 /nfs/dbraw/zinc/93/89/22/558938922.db2.gz PLUCSWSEINOFSF-XQBPLPMBSA-N 1 0 404.482 2.013 40 0 HEABRO CC1CCC(CNC(=O)Cn2nc(C(F)(F)F)nc2N)([NH+]2CCCCC2)CC1 ZINC000019654762 558948021 /nfs/dbraw/zinc/94/80/21/558948021.db2.gz FYAVHYOVNYYIRQ-UHFFFAOYSA-N 1 0 402.465 2.430 40 0 HEABRO O=S(=O)(c1cn[nH]c1)N1CC[N@H+](Cc2ccccc2)C[C@@H](Cc2ccccn2)C1 ZINC000072355245 558952609 /nfs/dbraw/zinc/95/26/09/558952609.db2.gz VSXZSNHDKYUTRZ-LJQANCHMSA-N 1 0 411.531 2.170 40 0 HEABRO CC(C)(C[NH+]1CCCCC1)NC(=O)c1cc(C2CC2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000019661880 558952923 /nfs/dbraw/zinc/95/29/23/558952923.db2.gz YEKNQJCUGQVOBA-MRXNPFEDSA-N 1 0 408.568 2.114 40 0 HEABRO C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCC(c2ccc(Nc3ncccn3)cn2)CC1 ZINC000072374244 558961772 /nfs/dbraw/zinc/96/17/72/558961772.db2.gz QTIZHPWQQGASKN-KRWDZBQOSA-N 1 0 410.522 2.290 40 0 HEABRO COc1ccccc1S(=O)(=O)N(C)Cc1cc(N(C)C)nc([C@@H]2CCCC[NH2+]2)n1 ZINC000019709871 558971750 /nfs/dbraw/zinc/97/17/50/558971750.db2.gz DUHVMPMLJZFEKS-INIZCTEOSA-N 1 0 419.551 2.187 40 0 HEABRO CN(C)c1cc([C@@H]2CCC[NH2+]C2)nc(CN(C)C(=O)COc2ccc(F)cc2)n1 ZINC000019710027 558971925 /nfs/dbraw/zinc/97/19/25/558971925.db2.gz MGDAEPJOOVWUQG-OAHLLOKOSA-N 1 0 401.486 2.186 40 0 HEABRO Cc1cnc(C(=O)N2CCC[C@@H]2CN2Cc3ccccc3OC[C@@H]2C[NH+](C)C)cn1 ZINC000072394957 558973829 /nfs/dbraw/zinc/97/38/29/558973829.db2.gz XISZDQYKCTYDHA-UXHICEINSA-N 1 0 409.534 2.214 40 0 HEABRO Cc1ccccc1S(=O)(=O)N1CCC2(CO[C@@H](C[NH+]3CCC(O)CC3)C2)CC1 ZINC000585103093 559026451 /nfs/dbraw/zinc/02/64/51/559026451.db2.gz CTHRVBXJVHQOQL-LJQANCHMSA-N 1 0 408.564 2.012 40 0 HEABRO Cc1ccccc1S(=O)(=O)N1CCC2(CO[C@@H](C[N@@H+]3CCC[C@H](O)C3)C2)CC1 ZINC000585104240 559026899 /nfs/dbraw/zinc/02/68/99/559026899.db2.gz OPOZQYYXYAMFBD-RBUKOAKNSA-N 1 0 408.564 2.012 40 0 HEABRO COc1cc(OC)cc(C(=O)N2CCC3(CO[C@@H](C[NH+]4CCC(O)CC4)C3)CC2)c1 ZINC000585104245 559026905 /nfs/dbraw/zinc/02/69/05/559026905.db2.gz OQRHTKIJRVEBMO-OAQYLSRUSA-N 1 0 418.534 2.172 40 0 HEABRO C[NH+](C)CCN1C[C@H](c2ccccc2)[C@]2(CN(C(=O)c3ccsc3)CCO2)C1=O ZINC000585107273 559027785 /nfs/dbraw/zinc/02/77/85/559027785.db2.gz SDZNIGIXIUDJQT-DENIHFKCSA-N 1 0 413.543 2.147 40 0 HEABRO C[NH+](C)CCN1C[C@@H](c2ccccc2)[C@@]2(CN(C(=O)c3ccccc3)CCO2)C1=O ZINC000585107556 559028049 /nfs/dbraw/zinc/02/80/49/559028049.db2.gz ZPAIZKYESXDEAY-URXFXBBRSA-N 1 0 407.514 2.085 40 0 HEABRO C[NH+](C)CCN1C[C@@H](c2ccccc2)[C@]2(CN(C(=O)c3ccccc3)CCO2)C1=O ZINC000585107557 559028057 /nfs/dbraw/zinc/02/80/57/559028057.db2.gz ZPAIZKYESXDEAY-XUZZJYLKSA-N 1 0 407.514 2.085 40 0 HEABRO 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 559028510 /nfs/dbraw/zinc/02/85/10/559028510.db2.gz VSFVCGONHRWQKO-WMQCIHAUSA-N 1 0 412.578 2.451 40 0 HEABRO C[N@@H+]1CCCN(C(=O)c2nc(-c3cn(-c4ccccn4)cn3)n3ccccc23)CC1 ZINC000096155072 559099369 /nfs/dbraw/zinc/09/93/69/559099369.db2.gz SOZZEAANYJXBPT-UHFFFAOYSA-N 1 0 401.474 2.360 40 0 HEABRO COCC[NH+]1CCN(c2ccc3ccc(C(=O)NCCc4cccnc4)cn32)CC1 ZINC000096155900 559099991 /nfs/dbraw/zinc/09/99/91/559099991.db2.gz VWGNDWIWXKCDIY-UHFFFAOYSA-N 1 0 407.518 2.075 40 0 HEABRO CCN1CC[C@@]2(C[N@H+](CCOC)CC23CCN(C(=O)c2ccccc2F)CC3)C1=O ZINC000096262801 559106757 /nfs/dbraw/zinc/10/67/57/559106757.db2.gz AEDDBBIWEJGIFC-HSZRJFAPSA-N 1 0 417.525 2.249 40 0 HEABRO CC(=O)N1CC[N@H+](CC2(O)CCCCC2)C[C@](O)(COc2ccc(F)c(C)c2)C1 ZINC000585287501 559123151 /nfs/dbraw/zinc/12/31/51/559123151.db2.gz NJUUXGSAIMOAHL-JOCHJYFZSA-N 1 0 408.514 2.103 40 0 HEABRO CCC(CC)[N@@H+]1CCN(C(=O)COC)C[C@](O)(COc2cccc(F)c2F)C1 ZINC000585288042 559123185 /nfs/dbraw/zinc/12/31/85/559123185.db2.gz UWLMRBFAUVVTOY-FQEVSTJZSA-N 1 0 400.466 2.054 40 0 HEABRO CC(=O)N[C@H]1CC[C@](CNC(=O)C[N@@H+](C)C2CCCC2)(c2ccccc2)CC[C@@H]1O ZINC000257216126 559282748 /nfs/dbraw/zinc/28/27/48/559282748.db2.gz CTETWIOCQPXJMQ-FIXSFTCYSA-N 1 0 415.578 2.355 40 0 HEABRO C[N@H+](Cc1cccc(CN2CCOCC2)c1)C[C@@]1(O)CCN(c2ccc(F)cn2)C1 ZINC000257342594 559283491 /nfs/dbraw/zinc/28/34/91/559283491.db2.gz ZPJODAOYNDBMBD-QHCPKHFHSA-N 1 0 414.525 2.126 40 0 HEABRO Cc1cc(C)n(CCOc2ccc(C[N@@H+]3CCC[C@@]3(C)C(=O)NCCO)cc2)n1 ZINC000257236183 559284000 /nfs/dbraw/zinc/28/40/00/559284000.db2.gz HBCPWCQYZLESSW-QFIPXVFZSA-N 1 0 400.523 2.042 40 0 HEABRO CN(C)c1cc(N2CCC[C@@](O)(C[NH2+]Cc3ccc(OCCF)cc3)C2)ncn1 ZINC000257264887 559284901 /nfs/dbraw/zinc/28/49/01/559284901.db2.gz LWJVFUJKSKLTER-OAQYLSRUSA-N 1 0 403.502 2.012 40 0 HEABRO CCNC(=S)N(CC[NH+](CC)CC)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000004160475 560601392 /nfs/dbraw/zinc/60/13/92/560601392.db2.gz SXHLKJDJWVIAFR-UHFFFAOYSA-N 1 0 404.536 2.295 40 0 HEABRO Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCCC[NH+](C)C)Oc3ccccc32)cc1 ZINC000010111468 560763795 /nfs/dbraw/zinc/76/37/95/560763795.db2.gz QBKKXECVPXQFPE-HXUWFJFHSA-N 1 0 417.531 2.019 40 0 HEABRO CC1CC[NH+](CCCNC(=O)CN(Cc2ccccc2Cl)S(C)(=O)=O)CC1 ZINC000222786458 568526496 /nfs/dbraw/zinc/52/64/96/568526496.db2.gz WHCUZHZTMZFQGZ-UHFFFAOYSA-N 1 0 415.987 2.340 40 0 HEABRO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)c(C)n1-n1cnnc1 ZINC000223216458 568541268 /nfs/dbraw/zinc/54/12/68/568541268.db2.gz ZRGQKNZLGCLANF-WOJBJXKFSA-N 1 0 424.578 2.327 40 0 HEABRO CS(=O)(=O)N(CC(=O)NCc1ccccc1C[NH+]1CCCC1)c1ccccc1 ZINC000224764309 568595941 /nfs/dbraw/zinc/59/59/41/568595941.db2.gz ZVHOCZZETYNUHZ-UHFFFAOYSA-N 1 0 401.532 2.365 40 0 HEABRO COc1cc(C[NH+]2CCC(NC(=S)NC[C@H]3CCCO3)CC2)cc(OC)c1OC ZINC000225229443 568624709 /nfs/dbraw/zinc/62/47/09/568624709.db2.gz ACKWRBRWROYOKI-QGZVFWFLSA-N 1 0 423.579 2.320 40 0 HEABRO O=C(NCCC[NH+]1CCCCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000225534103 568648343 /nfs/dbraw/zinc/64/83/43/568648343.db2.gz UBBDHIGZZBIPAF-QGZVFWFLSA-N 1 0 411.543 2.219 40 0 HEABRO C[C@H](C(=O)NCCC[N@@H+]1CCC[C@H](C)C1)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000260836831 568741109 /nfs/dbraw/zinc/74/11/09/568741109.db2.gz AAAQDQHDVUSGHM-LSDHHAIUSA-N 1 0 417.522 2.358 40 0 HEABRO CC(=O)NC1CC[NH+](C[C@@]2(O)CCCN(C(=O)c3ccc(C)c(F)c3)CC2)CC1 ZINC000257200415 568776064 /nfs/dbraw/zinc/77/60/64/568776064.db2.gz ADFPWFWQDDGQHW-JOCHJYFZSA-N 1 0 405.514 2.092 40 0 HEABRO O=C(C[N@H+]1C[C@H]2[C@@H](C1)CCC[C@@H]2Cc1cncnc1)N1CC(=O)Nc2ccccc21 ZINC000257253163 568791181 /nfs/dbraw/zinc/79/11/81/568791181.db2.gz JXUJKYMTEOHSNX-GUDVDZBRSA-N 1 0 405.502 2.353 40 0 HEABRO Cc1cc(N2CCC[C@](O)(CNC(=O)CCC[NH+]3Cc4ccccc4C3)C2)ncn1 ZINC000257260357 568792862 /nfs/dbraw/zinc/79/28/62/568792862.db2.gz LCNLWQVXSKHHSQ-QHCPKHFHSA-N 1 0 409.534 2.029 40 0 HEABRO C[NH+](C)CC(=O)N1CC[C@H](Oc2ccc(F)cc2)[C@@H](CC(=O)N2CCCCC2)C1 ZINC000257295685 568803233 /nfs/dbraw/zinc/80/32/33/568803233.db2.gz QZLHGSWUODXJJU-PXNSSMCTSA-N 1 0 405.514 2.386 40 0 HEABRO Cc1cccc(N2CCC(O)(C[N@@H+]3CCC[C@@](C(N)=O)(c4ccccn4)C3)CC2)c1 ZINC000257327616 568812465 /nfs/dbraw/zinc/81/24/65/568812465.db2.gz XCAZLHYETXCKGS-DEOSSOPVSA-N 1 0 408.546 2.240 40 0 HEABRO COc1ccc(NC(=O)c2nnc3n2C[C@H]2C[N@@H+](Cc4nccs4)C[C@H]2C3)cc1 ZINC000306124429 568887468 /nfs/dbraw/zinc/88/74/68/568887468.db2.gz BPNFUMXSYZETSI-ZIAGYGMSSA-N 1 0 410.503 2.300 40 0 HEABRO Cc1ccc(C[N@@H+]2CC[C@@]3(Cc4nn(Cc5ccccc5)c(=O)c(=O)n4C3)C2)s1 ZINC000306128587 568891361 /nfs/dbraw/zinc/89/13/61/568891361.db2.gz HFPZJKNXNRECBV-JOCHJYFZSA-N 1 0 408.527 2.272 40 0 HEABRO Cc1cc(C)cc(C[N@@H+]2CC[C@]3(C2)Cn2c(=O)c(=O)n(C4CCCC4)nc2CO3)c1 ZINC000306128726 568891455 /nfs/dbraw/zinc/89/14/55/568891455.db2.gz HJBJGFOJLZALIO-QHCPKHFHSA-N 1 0 410.518 2.312 40 0 HEABRO COCCNC(=O)c1nnc2n1CC1(CC2)CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000306134564 568896517 /nfs/dbraw/zinc/89/65/17/568896517.db2.gz NRUTZQJJBZMJCE-UHFFFAOYSA-N 1 0 401.486 2.022 40 0 HEABRO Cc1cc(C)cc(C[N@@H+]2CC[C@@]3(CCn4c3nn(Cc3ccccn3)c(=O)c4=O)C2)c1 ZINC000306142091 568903771 /nfs/dbraw/zinc/90/37/71/568903771.db2.gz WPDYFELKWIKOSL-XMMPIXPASA-N 1 0 417.513 2.013 40 0 HEABRO Cc1ncsc1C[N@H+]1C[C@H]2Cc3nnc(C(=O)NCc4ccccc4)n3C[C@@H]2C1 ZINC000306143530 568904965 /nfs/dbraw/zinc/90/49/65/568904965.db2.gz YEQICXSMTWMIGI-SJORKVTESA-N 1 0 408.531 2.277 40 0 HEABRO COc1c(F)cc(F)cc1CN1CCO[C@]2(CCCC[C@@H]2[NH2+]CC(=O)N(C)C)C1 ZINC000306144558 568905935 /nfs/dbraw/zinc/90/59/35/568905935.db2.gz ZIRRCGMGGFPHTE-GHTZIAJQSA-N 1 0 411.493 2.165 40 0 HEABRO Cc1ccc(C[NH2+]CCN(Cc2cccc(C)c2)[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1 ZINC000575421482 569025817 /nfs/dbraw/zinc/02/58/17/569025817.db2.gz QRJVBUXDSINKRT-YADHBBJMSA-N 1 0 402.560 2.053 40 0 HEABRO CC[NH+](CC)CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C)ccc1C ZINC000575423723 569026361 /nfs/dbraw/zinc/02/63/61/569026361.db2.gz QWEQDYHSZGKWBJ-SFHVURJKSA-N 1 0 416.609 2.213 40 0 HEABRO CCC(CC)C(=O)N1CCC[C@@H](N2C(=O)NC3(CC[NH+](CC(C)C)CC3)C2=O)C1 ZINC000019699722 569347022 /nfs/dbraw/zinc/34/70/22/569347022.db2.gz VRURCDRRHMUZRC-GOSISDBHSA-N 1 0 406.571 2.456 40 0 HEABRO CC[NH+]1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)c3ccc(C)s3)C1)C2=O ZINC000019699796 569347066 /nfs/dbraw/zinc/34/70/66/569347066.db2.gz RFFBJERQXQELTI-OAHLLOKOSA-N 1 0 404.536 2.067 40 0 HEABRO CCC[NH+]1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)c3ccc(C)s3)C1)C2=O ZINC000019699939 569347107 /nfs/dbraw/zinc/34/71/07/569347107.db2.gz AGBWGHLUKCQYHI-INIZCTEOSA-N 1 0 418.563 2.458 40 0 HEABRO C[C@H]1CCC[N@H+](CCCNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000049761088 569352214 /nfs/dbraw/zinc/35/22/14/569352214.db2.gz PCOOBYJTYFWJEU-HNNXBMFYSA-N 1 0 401.960 2.199 40 0 HEABRO CN(C)c1cc(CN(C)S(=O)(=O)c2ccccc2Cl)nc(C2CC[NH2+]CC2)n1 ZINC000019710131 569428896 /nfs/dbraw/zinc/42/88/96/569428896.db2.gz LKSXXHNGPZVRKB-UHFFFAOYSA-N 1 0 423.970 2.484 40 0 HEABRO O=C(CCCCn1c(=O)[nH]c2ccccc2c1=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000039448942 571132047 /nfs/dbraw/zinc/13/20/47/571132047.db2.gz HJEGIRWOFIMMPS-UHFFFAOYSA-N 1 0 412.534 2.337 40 0 HEABRO COc1ccc(-c2cc(C[C@H]3C[NH2+]CC[C@H]3CC(=O)NCC[NH+](C)C)no2)cc1 ZINC000008623695 291207818 /nfs/dbraw/zinc/20/78/18/291207818.db2.gz FTFYFVZJGCKBBV-ROUUACIJSA-N 1 0 400.523 2.186 40 0 biogenic,in-vitro HEABRO COCCNC(=O)[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2Cn1cc(CSc2ccccc2)nn1 ZINC000008297638 291206518 /nfs/dbraw/zinc/20/65/18/291206518.db2.gz QXDLEPQGMNBOSM-HQRMLTQVSA-N 1 0 415.563 2.043 40 0 biogenic,in-vitro HEABRO Fc1cccc(-c2ccnc(N[C@H]3CO[C@H]4[C@@H]3OC[C@@H]4[NH2+]Cc3ccccn3)n2)c1 ZINC000067902090 291211362 /nfs/dbraw/zinc/21/13/62/291211362.db2.gz BYBSUGXGPWTBGE-UWHLTILDSA-N 1 0 407.449 2.414 40 0 biogenic,in-vitro HEABRO COc1ccc(S(=O)(=O)NCCC[NH+]2CCCC2)cc1I ZINC000010450153 558257589 /nfs/dbraw/zinc/25/75/89/558257589.db2.gz RDUVQTSQORADBU-UHFFFAOYSA-N 1 0 424.304 2.064 40 0 HEABRO COCCn1c2nc(C3CC[NH+](Cc4ccccc4)CC3)ccc2c(=O)n(C)c1=O ZINC000019743580 558264190 /nfs/dbraw/zinc/26/41/90/558264190.db2.gz JZHWGOVOTHCIFC-UHFFFAOYSA-N 1 0 408.502 2.121 40 0 HEABRO C[NH+]1CCN(/C(=C/n2ccccc2=O)OC(=O)c2ccc(Br)cc2)CC1 ZINC000022078647 558462779 /nfs/dbraw/zinc/46/27/79/558462779.db2.gz CATDVCALWVDTPK-JXAWBTAJSA-N 1 0 418.291 2.471 40 0 HEABRO O=C(NCCC[NH+]1CCCCCC1)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000022754914 558508170 /nfs/dbraw/zinc/50/81/70/558508170.db2.gz LBSWLGKEUHUONH-UHFFFAOYSA-N 1 0 407.580 2.470 40 0 HEABRO CN(CC(=O)NCc1ccccc1C[NH+]1CCCC1)S(=O)(=O)c1ccccc1 ZINC000025073359 558630366 /nfs/dbraw/zinc/63/03/66/558630366.db2.gz ROQPMXKLTXQWMX-UHFFFAOYSA-N 1 0 401.532 2.219 40 0 HEABRO CCOc1cc(C[NH2+]C(C)(C)C)cc(I)c1OCC(N)=O ZINC000036612881 558727964 /nfs/dbraw/zinc/72/79/64/558727964.db2.gz CZQBBGFTVHCVCL-UHFFFAOYSA-N 1 0 406.264 2.442 40 0 HEABRO Cc1ccc(CS(=O)(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)cc1 ZINC000038756225 558814829 /nfs/dbraw/zinc/81/48/29/558814829.db2.gz XJDAYSCATUOWSJ-UHFFFAOYSA-N 1 0 407.580 2.139 40 0 HEABRO Cc1cc(C)n2ncc(C[N@@H+]3CC=CC[C@@]4(C(=O)N5CCN(C)CC5)CCC[C@@H]34)c2n1 ZINC000019116582 558842104 /nfs/dbraw/zinc/84/21/04/558842104.db2.gz JGWRIBNLBVEJIZ-ZJSXRUAMSA-N 1 0 422.577 2.421 40 0 HEABRO O=C1CCOC[C@]2(C[N@H+](Cc3ccccc3-n3cccn3)C[C@H]2c2cccnc2)N1 ZINC000019349471 558875179 /nfs/dbraw/zinc/87/51/79/558875179.db2.gz VZHXNZLXHSEMKD-REWPJTCUSA-N 1 0 403.486 2.142 40 0 HEABRO COc1ccc2c(c1)O[C@]1(C[C@H]3CC[C@@H]1C[C@H]3C(=O)NCCC[NH+](C)C)NC2=O ZINC000072339221 558938602 /nfs/dbraw/zinc/93/86/02/558938602.db2.gz JOTYETFAAWLRLI-BDDLKOOFSA-N 1 0 401.507 2.018 40 0 HEABRO CC[NH+](CC)CCNC(=O)[C@H]1C[C@H]2CC[C@@H]1C[C@@]21NC(=O)c2ccc(OC)cc2O1 ZINC000072339215 558938671 /nfs/dbraw/zinc/93/86/71/558938671.db2.gz LMFWRRWMWGNVMT-GZYYTPEQSA-N 1 0 415.534 2.408 40 0 HEABRO COc1cc(OC)c(OC)cc1C[N@@H+]1CCc2nc(-c3ccccn3)[nH]c(=O)c2CC1 ZINC000019595008 558945868 /nfs/dbraw/zinc/94/58/68/558945868.db2.gz VKNSFGWPKVJIAZ-UHFFFAOYSA-N 1 0 422.485 2.459 40 0 HEABRO COc1cccc(OC)c1C(=O)N1CCN(C(=O)[C@@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000019656000 558949069 /nfs/dbraw/zinc/94/90/69/558949069.db2.gz AWAMCEKDFBRHAR-SFHVURJKSA-N 1 0 415.534 2.395 40 0 HEABRO Cc1nn([C@@H](C)C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)c(=O)c2ccccc12 ZINC000019656631 558949449 /nfs/dbraw/zinc/94/94/49/558949449.db2.gz DFNPQTXBBRMVTF-SFHVURJKSA-N 1 0 412.534 2.227 40 0 HEABRO CC1CC[NH+](CC2(NC(=O)CCn3cnc4c(cnn4C)c3=O)CCCCC2)CC1 ZINC000019662619 558953677 /nfs/dbraw/zinc/95/36/77/558953677.db2.gz UYFHJBJIHPLCEG-UHFFFAOYSA-N 1 0 414.554 2.071 40 0 HEABRO CNc1nc([C@H]2CCC[N@H+](C)C2)nc2c1CCN(C(=O)Cc1ccc(OC)cc1)C2 ZINC000019707201 558969501 /nfs/dbraw/zinc/96/95/01/558969501.db2.gz WMCKHWUZPNCVJH-KRWDZBQOSA-N 1 0 409.534 2.464 40 0 HEABRO C[NH+](C)C[C@@H]1COc2ccccc2CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1CC1 ZINC000072394858 558973863 /nfs/dbraw/zinc/97/38/63/558973863.db2.gz NHLBVQOKHNKKMB-FGZHOGPDSA-N 1 0 421.541 2.475 40 0 HEABRO Cn1c(=O)cc(C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+]2CCCCCC2)[nH]c1=O ZINC000019714475 558974350 /nfs/dbraw/zinc/97/43/50/558974350.db2.gz CXCVZKRLQPRJEC-QGZVFWFLSA-N 1 0 404.898 2.486 40 0 HEABRO COC[C@H]1CC2(C[N@@H+]1Cc1cccnc1)CCN(C(=O)c1cc(OC)no1)CC2 ZINC000585103852 559025887 /nfs/dbraw/zinc/02/58/87/559025887.db2.gz RRESNEMUPCHAAZ-QGZVFWFLSA-N 1 0 400.479 2.222 40 0 HEABRO Cc1ccccc1S(=O)(=O)N1CCC2(CO[C@H](C[N@@H+]3CCC[C@H]3CO)C2)CC1 ZINC000585103483 559026606 /nfs/dbraw/zinc/02/66/06/559026606.db2.gz GRZIRCVQUIEFCJ-OALUTQOASA-N 1 0 408.564 2.012 40 0 HEABRO C[NH+](C)CCN1C[C@H](c2ccccc2)[C@@]2(CN(C(=O)c3ccccc3)CCO2)C1=O ZINC000585107555 559028067 /nfs/dbraw/zinc/02/80/67/559028067.db2.gz ZPAIZKYESXDEAY-QPPBQGQZSA-N 1 0 407.514 2.085 40 0 HEABRO CC(C)CC[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000585106136 559028403 /nfs/dbraw/zinc/02/84/03/559028403.db2.gz QEBCYVKKTQVTHX-UXHICEINSA-N 1 0 401.526 2.453 40 0 HEABRO CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2cc(C3CC3)on2)CC1 ZINC000585106317 559028713 /nfs/dbraw/zinc/02/87/13/559028713.db2.gz SNRAGRVLZAMSCC-OIISXLGYSA-N 1 0 400.523 2.393 40 0 HEABRO O=C(NCC1CCOCC1)[C@H]1C[C@H]2OCC[C@H]2[N@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000585108746 559030270 /nfs/dbraw/zinc/03/02/70/559030270.db2.gz TUXARAYUXYZETA-MDNUFGMLSA-N 1 0 424.545 2.395 40 0 HEABRO CCN1C(=O)[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2C12CCN(C(=O)c1cccnc1)CC2 ZINC000096143630 559096181 /nfs/dbraw/zinc/09/61/81/559096181.db2.gz ANRKOIIDZJBMMX-LEWJYISDSA-N 1 0 419.529 2.062 40 0 HEABRO CC[C@H](CO)NC(=O)c1cnc(-c2noc3cc(N4CC[NH+](C)CC4)ccc32)s1 ZINC000096154616 559098997 /nfs/dbraw/zinc/09/89/97/559098997.db2.gz QMWNSMCFPRDFTO-CYBMUJFWSA-N 1 0 415.519 2.204 40 0 HEABRO O[C@H]1[C@H](Oc2ccccc2)C[C@@H]([NH2+]Cc2ccccc2F)[C@@H]1N1CCC(O)CC1 ZINC000585262395 559110931 /nfs/dbraw/zinc/11/09/31/559110931.db2.gz MJWHCSYKILHOQX-LUKWVAJMSA-N 1 0 400.494 2.321 40 0 HEABRO CCOc1ccccc1OC[C@@H](O)C[N@H+](C)Cc1ccc(OCCOCCO)cc1 ZINC000585269870 559116190 /nfs/dbraw/zinc/11/61/90/559116190.db2.gz OADTWTHZJZWBGJ-FQEVSTJZSA-N 1 0 419.518 2.345 40 0 HEABRO Cn1ccnc1COc1ccc(C[N@H+](C)C[C@]2(O)CCN(c3ccccn3)C2)cc1 ZINC000585270701 559116413 /nfs/dbraw/zinc/11/64/13/559116413.db2.gz PHSJDQWKYCGHJF-HSZRJFAPSA-N 1 0 407.518 2.467 40 0 HEABRO Cc1ccc(C[NH2+]C[C@@]2(O)CN(C(=O)Cc3ccc(Cl)cc3)CC[C@@H]2O)cc1 ZINC000585283228 559120500 /nfs/dbraw/zinc/12/05/00/559120500.db2.gz DONLRVWYYZRLCT-RBBKRZOGSA-N 1 0 402.922 2.305 40 0 HEABRO CCC(CC)[N@@H+]1CCN(C(=O)COC)C[C@@](O)(COc2cc(F)cc(F)c2)C1 ZINC000585284578 559121300 /nfs/dbraw/zinc/12/13/00/559121300.db2.gz YOMBWBYWRGOQMD-HXUWFJFHSA-N 1 0 400.466 2.054 40 0 HEABRO COc1ccc(C[NH2+]C[C@@]2(O)CCN(C(=O)c3ccc(Cl)cc3)C[C@@H]2O)cc1 ZINC000585285268 559121538 /nfs/dbraw/zinc/12/15/38/559121538.db2.gz QEFJLALKQFJPMB-FPOVZHCZSA-N 1 0 404.894 2.076 40 0 HEABRO O=C(Cc1ccc(Cl)cc1)N1C[C@@H](O)[C@](O)(C[NH2+]CCc2ccccc2Cl)C1 ZINC000585290183 559122764 /nfs/dbraw/zinc/12/27/64/559122764.db2.gz NXLLHOGKCBBGHP-CTNGQTDRSA-N 1 0 423.340 2.302 40 0 HEABRO Cc1cccc(C[NH2+]C[C@]2(O)CN(C(=O)Cc3ccc(Cl)cc3)C[C@H]2O)c1C ZINC000585290990 559123541 /nfs/dbraw/zinc/12/35/41/559123541.db2.gz YUPPSXBLEYSFSB-IRLDBZIGSA-N 1 0 402.922 2.223 40 0 HEABRO Cc1cccc(C(=O)N2CCC3(C[N@H+](Cc4cccnc4)C[C@]34CCNC4=O)CC2)n1 ZINC000097952848 559124953 /nfs/dbraw/zinc/12/49/53/559124953.db2.gz QUYLLTQSOZFOOU-DEOSSOPVSA-N 1 0 419.529 2.030 40 0 HEABRO COc1ccc(C[NH+]2CCC3(CN(c4ncccn4)C[C@@]34CCN(C)C4=O)CC2)cc1 ZINC000097952864 559124973 /nfs/dbraw/zinc/12/49/73/559124973.db2.gz XWXIMBXQNZVUFN-XMMPIXPASA-N 1 0 421.545 2.436 40 0 HEABRO CCN1CC[C@]2(C[N@H+](CCOC)CC23CCN(C(=O)Cc2ccsc2)CC3)C1=O ZINC000103475241 559156022 /nfs/dbraw/zinc/15/60/22/559156022.db2.gz JTRZBDVBXNDVFP-QFIPXVFZSA-N 1 0 419.591 2.100 40 0 HEABRO C[NH+]1CCC(NC(=O)CCCN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)CC1 ZINC000113962658 559184098 /nfs/dbraw/zinc/18/40/98/559184098.db2.gz VNVJICNSEQRCDH-UHFFFAOYSA-N 1 0 421.485 2.462 40 0 HEABRO NS(=O)(=O)c1ccc(N2CC[NH+](CC[C@H]3OCCc4ccccc43)CC2)cc1 ZINC000005162669 560201137 /nfs/dbraw/zinc/20/11/37/560201137.db2.gz WNUQCGWXPNGORO-OAQYLSRUSA-N 1 0 401.532 2.160 40 0 in-vitro HEABRO COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NCCC[NH+]1CCCC1 ZINC000010450192 560769777 /nfs/dbraw/zinc/76/97/77/560769777.db2.gz SXBJBLAMTMBDEG-UHFFFAOYSA-N 1 0 423.579 2.332 40 0 HEABRO CC[NH+]1CCN([C@H](c2nnnn2C(C)(C)C)c2cc3cccc(C)c3[nH]c2=O)CC1 ZINC000019527972 560874718 /nfs/dbraw/zinc/87/47/18/560874718.db2.gz NTFYQEIIVVNAQM-IBGZPJMESA-N 1 0 409.538 2.305 40 0 HEABRO Cc1nccc(C[C@H]2[C@H]([NH2+]Cc3ccc(OC(F)(F)F)cc3)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382402 568489498 /nfs/dbraw/zinc/48/94/98/568489498.db2.gz QSIWCJIRIGKOMB-NCXUSEDFSA-N 1 0 411.424 2.374 40 0 biogenic,in-vitro HEABRO C[NH+]1CCC(Oc2ccc(NS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)cc2)CC1 ZINC000223672683 568555742 /nfs/dbraw/zinc/55/57/42/568555742.db2.gz OEZGWWIQEZOGAA-UHFFFAOYSA-N 1 0 424.544 2.364 40 0 HEABRO CN(CC(=O)N1CCCC[C@H]1CCNC(=O)c1ccccc1)C1CC[NH+](C)CC1 ZINC000257326092 568812225 /nfs/dbraw/zinc/81/22/25/568812225.db2.gz WVTKUIXAHCYOQW-NRFANRHFSA-N 1 0 400.567 2.214 40 0 HEABRO CSCC[C@@H]([NH3+])C(=O)N1CCC2(CC1)CO[C@]1(C)CC[C@H](O)C(C)(C)O[C@H]1C2 ZINC000257339714 568815945 /nfs/dbraw/zinc/81/59/45/568815945.db2.gz ZCWUGYPCZIZBAV-NHAYFPRASA-N 1 0 414.612 2.173 40 0 HEABRO O=C1N(Cc2ccncc2)CCO[C@]12C[N@H+](Cc1ccncc1)C[C@@H]2c1cccnc1 ZINC000306123035 568886115 /nfs/dbraw/zinc/88/61/15/568886115.db2.gz ACWVAYMRIVOQMH-VWNXMTODSA-N 1 0 415.497 2.269 40 0 HEABRO COC(=O)N1Cc2nnc(-c3cccnc3)n2C2(CC[NH+](Cc3ccccn3)CC2)C1 ZINC000306123063 568886286 /nfs/dbraw/zinc/88/62/86/568886286.db2.gz ADSXIEZZBWGKKL-UHFFFAOYSA-N 1 0 419.489 2.308 40 0 HEABRO O=C1N(Cc2cccnc2)CCO[C@@]12C[N@H+](Cc1ccccn1)C[C@H]2c1cccnc1 ZINC000306123270 568886652 /nfs/dbraw/zinc/88/66/52/568886652.db2.gz AIVPHBAWXUAIHW-LADGPHEKSA-N 1 0 415.497 2.269 40 0 HEABRO O=C1N(Cc2cccnc2)CCO[C@@]12C[N@H+](Cc1ccccn1)C[C@@H]2c1cccnc1 ZINC000306123269 568886662 /nfs/dbraw/zinc/88/66/62/568886662.db2.gz AIVPHBAWXUAIHW-ISKFKSNPSA-N 1 0 415.497 2.269 40 0 HEABRO Cc1nc(C)c(C[N@@H+]2CCOC[C@]3(CC[C@H](CNC(=O)c4cccnc4)O3)C2)s1 ZINC000306124563 568887698 /nfs/dbraw/zinc/88/76/98/568887698.db2.gz BTPXMZVFIMXXJX-NQIIRXRSSA-N 1 0 416.547 2.335 40 0 HEABRO O=C(c1ccsc1)N1CCN(C2=NO[C@@H]3CC[N@H+](Cc4ccco4)C[C@@H]23)CC1 ZINC000306126657 568889593 /nfs/dbraw/zinc/88/95/93/568889593.db2.gz FBEQLFAISQOJGI-QZTJIDSGSA-N 1 0 400.504 2.333 40 0 HEABRO COCCN1C[C@@]2(F)CN(CC3CC[NH+](Cc4ccccc4)CC3)C[C@@]2(F)C1=O ZINC000306126953 568889738 /nfs/dbraw/zinc/88/97/38/568889738.db2.gz FJWNAIPUCUXMJU-FCHUYYIVSA-N 1 0 407.505 2.119 40 0 HEABRO CCn1cc(C[N@H+]2C[C@H]3Cc4nnc(C(=O)Nc5ccc(OC)cc5)n4C[C@@H]3C2)cn1 ZINC000306141003 568902746 /nfs/dbraw/zinc/90/27/46/568902746.db2.gz VIOAYHMBZPQWRT-SJORKVTESA-N 1 0 421.505 2.060 40 0 HEABRO CCOC(=O)c1c2c(sc1NC(=O)CSc1nc(N)cc(N)[nH+]1)CCCC2 ZINC000003605668 568919460 /nfs/dbraw/zinc/91/94/60/568919460.db2.gz BHDZIZBSMJDBQM-UHFFFAOYSA-N 1 0 407.521 2.489 40 0 HEABRO CCOc1ccccc1NC(=O)N1CCN(c2cn[nH+]c(N3CCOCC3)c2)CC1 ZINC000224331979 569058595 /nfs/dbraw/zinc/05/85/95/569058595.db2.gz VCBNAXHFIRNYLG-UHFFFAOYSA-N 1 0 412.494 2.066 40 0 HEABRO C[C@@]12CC[C@@H](C[C@H]1C(=O)NCC[NH+]1CCCCC1)[C@]1(C2)NC(=O)c2cccnc2N1 ZINC000253595711 569318336 /nfs/dbraw/zinc/31/83/36/569318336.db2.gz HRJRKHBJKIHOJX-VONVNUAUSA-N 1 0 411.550 2.362 40 0 HEABRO COc1ccccc1C[N@@H+]1CCc2nc([C@@H]3CCN(C(=O)[C@@H]4C[C@@H]4C)C3)[nH]c(=O)c2C1 ZINC000019462760 569345564 /nfs/dbraw/zinc/34/55/64/569345564.db2.gz UBJARVAUGANOPS-CGTJXYLNSA-N 1 0 422.529 2.309 40 0 HEABRO CCC[NH+]1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)c3cccc(F)c3)C1)C2=O ZINC000019700006 569347149 /nfs/dbraw/zinc/34/71/49/569347149.db2.gz VTGGXGUWCCPUIH-GOSISDBHSA-N 1 0 416.497 2.227 40 0 HEABRO Cn1nccc1C[N@@H+]1CC[C@H](c2c3cccnc3sc2C(=O)N2CCOCC2)C1 ZINC000019702746 569347505 /nfs/dbraw/zinc/34/75/05/569347505.db2.gz BLEHVOKLPKSDCB-HNNXBMFYSA-N 1 0 411.531 2.492 40 0 HEABRO COc1ccc([C@]2(O)C[N+](c3c(C)n(C)n(-c4ccccc4)c3=O)=C3CCCN32)cc1 ZINC000027525042 569363728 /nfs/dbraw/zinc/36/37/28/569363728.db2.gz SOENANIZCGIYBO-XMMPIXPASA-N 1 0 419.505 2.363 40 0 HEABRO CCOC(=O)[C@@]1(C[NH3+])[C@H](S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccc2c(c1)OCO2 ZINC000252516700 569388083 /nfs/dbraw/zinc/38/80/83/569388083.db2.gz VZNMCNOMUINIOL-SFHLNBCPSA-N 1 0 417.483 2.172 40 0 HEABRO C[N@@H+]1[C@@H]2CCN(Cc3cccc(Cl)c3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)N1CCCC1 ZINC000035442384 291205520 /nfs/dbraw/zinc/20/55/20/291205520.db2.gz ZZXCDWXLSICIAX-ZVDOUQERSA-N 1 0 418.969 2.116 40 0 biogenic,in-vitro HEABRO COCCNc1cc(-c2noc([C@@H]3CCC[N@@H+]3C3CCN(C(C)=O)CC3)n2)ccn1 ZINC000035424540 291206508 /nfs/dbraw/zinc/20/65/08/291206508.db2.gz ZFHAIHNYLWLIFJ-SFHVURJKSA-N 1 0 414.510 2.338 40 0 biogenic,in-vitro HEABRO Cc1cccnc1C1(O)[C@@H]2CCC[C@H]1C[N@@H+](Cc1cnc(N3CCOCC3)nc1)C2 ZINC000012135238 132354735 /nfs/dbraw/zinc/35/47/35/132354735.db2.gz WKUNVVSDRZZSRZ-DETIRCLXSA-N 1 0 409.534 2.136 40 0 HEABRO Cn1c2ncn(CC[NH2+][C@@H](c3ccccc3)c3cccc(Cl)c3)c2c(=O)n(C)c1=O ZINC000001579530 557273729 /nfs/dbraw/zinc/27/37/29/557273729.db2.gz QQBPMNIYGSXMML-SFHVURJKSA-N 1 0 423.904 2.466 40 0 HEABRO CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCSC)[NH2+][C@@]21C(=O)Nc2ccc(F)cc21 ZINC000035375183 557530913 /nfs/dbraw/zinc/53/09/13/557530913.db2.gz NVVBORDBMCXQLB-AYQNDCLTSA-N 1 0 405.495 2.098 40 0 HEABRO COc1cccc(CNC(=O)c2cnc([C@@H]3CC[N@H+](Cc4cnn(C)c4)C3)nc2C)c1 ZINC000019753830 558273103 /nfs/dbraw/zinc/27/31/03/558273103.db2.gz SUIACDBANOTBHC-LJQANCHMSA-N 1 0 420.517 2.447 40 0 HEABRO Cc1nc(C2CCN(C(=O)C[NH+](C)C)CC2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019763899 558277647 /nfs/dbraw/zinc/27/76/47/558277647.db2.gz FGFOIIIQWZSQSL-UHFFFAOYSA-N 1 0 413.497 2.122 40 0 HEABRO C[C@H](CCC(=O)N1CCC(c2ccc(C(=O)N(C)C)c(N)n2)CC1)[NH+]1CCCC1 ZINC000019765782 558278119 /nfs/dbraw/zinc/27/81/19/558278119.db2.gz XRAUPGYLNDWUOX-MRXNPFEDSA-N 1 0 401.555 2.336 40 0 HEABRO Cc1nn(CC(=O)NCCC[NH+]2CCC(C)CC2)c(=O)c2cc3sccc3n21 ZINC000012115256 558327552 /nfs/dbraw/zinc/32/75/52/558327552.db2.gz NAUVQOGOLKCYAX-UHFFFAOYSA-N 1 0 401.536 2.257 40 0 HEABRO CCOc1ccccc1NC(=O)C[C@@H]1N=C(NC(=[NH2+])Nc2ccc(C)cc2)NC1=O ZINC000020799193 558415097 /nfs/dbraw/zinc/41/50/97/558415097.db2.gz GDXZFSQYRAEBBL-INIZCTEOSA-N 1 0 408.462 2.213 40 0 HEABRO COc1cc(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2Cc2ccccc2)ccc1OCC(N)=O ZINC000022915906 558521358 /nfs/dbraw/zinc/52/13/58/558521358.db2.gz SSBCTUJDIVAGGW-LEWJYISDSA-N 1 0 409.530 2.451 40 0 HEABRO Cc1ccc2c(c1)CN(S(C)(=O)=O)CC1(CCN(CC[NH+]3CCCC3)CC1)O2 ZINC000019219551 558851310 /nfs/dbraw/zinc/85/13/10/558851310.db2.gz HGTHRGPMWMOCRI-UHFFFAOYSA-N 1 0 407.580 2.079 40 0 HEABRO O=C(C[NH+]1CCCCCC1)N1CCC(c2nc(-c3nccs3)cc(=O)[nH]2)CC1 ZINC000019406380 558885135 /nfs/dbraw/zinc/88/51/35/558885135.db2.gz XJYLTXBTIYOZQU-UHFFFAOYSA-N 1 0 401.536 2.475 40 0 HEABRO CC(C)[N@@H+]1CCc2c(=O)[nH]c([C@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)nc2C1 ZINC000019448427 558887287 /nfs/dbraw/zinc/88/72/87/558887287.db2.gz ZATVJMHFWNYZKA-GOSISDBHSA-N 1 0 420.510 2.201 40 0 HEABRO CC(C)[N@@H+]1CCc2nc([C@@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)[nH]c(=O)c2C1 ZINC000019448317 558887445 /nfs/dbraw/zinc/88/74/45/558887445.db2.gz RGXDEQVYBUPWCS-SFHVURJKSA-N 1 0 420.510 2.201 40 0 HEABRO COCc1ccc(OC)c(C[N@@H+]2CCC[C@@H](Cn3nnc(-c4cnccn4)n3)C2)c1 ZINC000019594353 558945382 /nfs/dbraw/zinc/94/53/82/558945382.db2.gz TVFFWCCRRHWGKZ-QGZVFWFLSA-N 1 0 409.494 2.197 40 0 HEABRO CNc1nc(C2CC[NH+](C)CC2)nc2c1CCN(C(=O)Cc1ccc(OC)cc1)C2 ZINC000019707164 558969523 /nfs/dbraw/zinc/96/95/23/558969523.db2.gz LSWVIUSWIMRSFJ-UHFFFAOYSA-N 1 0 409.534 2.464 40 0 HEABRO CNc1nc([C@@H]2CCC[N@H+](C)C2)nc2c1CCN(S(=O)(=O)c1ccccc1)C2 ZINC000019708712 558970990 /nfs/dbraw/zinc/97/09/90/558970990.db2.gz ACEMXKJWBCQOJY-OAHLLOKOSA-N 1 0 401.536 2.075 40 0 HEABRO C[NH+](C)C[C@H]1COc2ccccc2CN1C(=O)[C@H](Cc1ccccc1)NC(=O)C1CC1 ZINC000072394861 558973789 /nfs/dbraw/zinc/97/37/89/558973789.db2.gz NHLBVQOKHNKKMB-VXKWHMMOSA-N 1 0 421.541 2.475 40 0 HEABRO Cc1ccc(OCC(=O)N2CCC3(CO[C@@H](C[N@@H+]4CCC[C@H](O)C4)C3)CC2)cc1 ZINC000585104837 559027349 /nfs/dbraw/zinc/02/73/49/559027349.db2.gz UCSCGMGEPVRNBP-PZJWPPBQSA-N 1 0 402.535 2.228 40 0 HEABRO CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000585106205 559028484 /nfs/dbraw/zinc/02/84/84/559028484.db2.gz DOSUUSAKNNGWNS-RLLQIKCJSA-N 1 0 419.591 2.385 40 0 HEABRO Cc1ccc(S(=O)(=O)N2CCC3(CC2)NC(=O)[C@@H]2C[N@@H+](CCC(C)C)C[C@@H]23)cc1 ZINC000585106232 559028581 /nfs/dbraw/zinc/02/85/81/559028581.db2.gz XVHFGYKNPJHVJL-UXHICEINSA-N 1 0 419.591 2.242 40 0 HEABRO CN(C)C(=O)c1sc2nc([C@]3(C)CCCN(C(=O)C[NH+](C)C)C3)ccc2c1N ZINC000585179642 559069744 /nfs/dbraw/zinc/06/97/44/559069744.db2.gz ZFFHSGKJBCIASZ-HXUWFJFHSA-N 1 0 403.552 2.022 40 0 HEABRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(C(=O)c3cnccn3)CC2)c2ccccc21 ZINC000096052894 559092645 /nfs/dbraw/zinc/09/26/45/559092645.db2.gz XMZUNEGOUXJPCK-SFHVURJKSA-N 1 0 421.545 2.206 40 0 HEABRO CN1CC[NH+](C[C@H]2CO[C@]3(C2)CCCN(C(=O)c2cccc4cccnc42)C3)CC1 ZINC000096075627 559094523 /nfs/dbraw/zinc/09/45/23/559094523.db2.gz UWNXBPIFUKVYHA-CYFREDJKSA-N 1 0 408.546 2.494 40 0 HEABRO COC1CC[NH+]([C@@H]2[C@@H](O)[C@H](Oc3ccccc3)C[C@H]2NC(=O)c2ccccc2)CC1 ZINC000585262353 559110915 /nfs/dbraw/zinc/11/09/15/559110915.db2.gz VPCYUKQRBLLUJK-LUKWVAJMSA-N 1 0 410.514 2.477 40 0 HEABRO CCOCCOc1ccc(C[NH2+]C[C@@]2(O)CCCN(c3cc(NC)ncn3)C2)cc1 ZINC000585270037 559116160 /nfs/dbraw/zinc/11/61/60/559116160.db2.gz CJAZMLCTIBGXSW-QFIPXVFZSA-N 1 0 415.538 2.055 40 0 HEABRO COc1ccc(OC[C@@H](O)C[N@H+](C)Cc2cccc(CN3CCOCC3)c2)cc1 ZINC000585271726 559117659 /nfs/dbraw/zinc/11/76/59/559117659.db2.gz GWCVDQKYROFAOP-NRFANRHFSA-N 1 0 400.519 2.399 40 0 HEABRO COCC(=O)N1CC[N@@H+](C2CCCCC2)C[C@](O)(COc2cc(F)cc(F)c2)C1 ZINC000585281991 559119718 /nfs/dbraw/zinc/11/97/18/559119718.db2.gz DVUNPODYFXIOAS-OAQYLSRUSA-N 1 0 412.477 2.198 40 0 HEABRO O=C(Cc1ccc(Cl)cc1)N1CC[C@](O)(C[NH2+]CCc2ccccc2)[C@@H](O)C1 ZINC000585284296 559121168 /nfs/dbraw/zinc/12/11/68/559121168.db2.gz JMQVKLUBNYLGKM-UNMCSNQZSA-N 1 0 402.922 2.039 40 0 HEABRO O=C(Cc1ccc(Cl)cc1)N1CC[C@](O)(C[NH2+]Cc2ccc(F)cc2)[C@@H](O)C1 ZINC000585284968 559121400 /nfs/dbraw/zinc/12/14/00/559121400.db2.gz MKZXUAUYKPWRAN-FPOVZHCZSA-N 1 0 406.885 2.136 40 0 HEABRO O=C(CCc1ccccc1)N1CC[C@](O)(C[NH2+]CCc2c[nH]c3ccccc23)[C@@H](O)C1 ZINC000585290275 559122766 /nfs/dbraw/zinc/12/27/66/559122766.db2.gz PXPDJNJADCYUBI-ZCYQVOJMSA-N 1 0 421.541 2.257 40 0 HEABRO COCC(=O)N1CC[N@@H+](C2CCCCC2)C[C@@](O)(COc2cccc(F)c2F)C1 ZINC000585287584 559123179 /nfs/dbraw/zinc/12/31/79/559123179.db2.gz PCYGHAOWODELOC-NRFANRHFSA-N 1 0 412.477 2.198 40 0 HEABRO CC1CC[NH+](CCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)CC1 ZINC000106128660 559163448 /nfs/dbraw/zinc/16/34/48/559163448.db2.gz MYDWIAONYJBNJJ-LJQANCHMSA-N 1 0 407.580 2.326 40 0 HEABRO CC(C)C[N@@H+]1C[C@@H]2C(=O)N(C)C3(CCN(C(=O)NCCc4ccccc4)CC3)[C@@H]2C1 ZINC000107180185 559164778 /nfs/dbraw/zinc/16/47/78/559164778.db2.gz XFESUBZRGURVNJ-LEWJYISDSA-N 1 0 412.578 2.449 40 0 HEABRO Nc1cc(N)[nH+]c(SCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)n1 ZINC000004938262 560615909 /nfs/dbraw/zinc/61/59/09/560615909.db2.gz MKCKMFXUTZIXNG-UHFFFAOYSA-N 1 0 412.441 2.101 40 0 HEABRO Cc1cc(=O)n2c(n1)NC(N1CCN(c3ccccn3)CC1)=[NH+][C@H]2[C@@H]1CC=CCC1 ZINC000009289594 560757818 /nfs/dbraw/zinc/75/78/18/560757818.db2.gz JHDOQOYMUPSVDJ-YLJYHZDGSA-N 1 0 405.506 2.405 40 0 HEABRO COc1ccc(Cl)cc1N([C@@H](C)C(=O)NCCC[NH+]1CCCC1)S(C)(=O)=O ZINC000010450162 560769763 /nfs/dbraw/zinc/76/97/63/560769763.db2.gz ZNCBOGOFLXIIAH-AWEZNQCLSA-N 1 0 417.959 2.105 40 0 HEABRO CC(C)(C)OC(=O)N[C@@]1(C[NH3+])[C@H](S(C)(=O)=O)[C@H]1c1ccc(Br)cc1 ZINC000242687752 568455627 /nfs/dbraw/zinc/45/56/27/568455627.db2.gz UUVZOKGAQXAXDM-XJKCOSOUSA-N 1 0 419.341 2.182 40 0 HEABRO CN(Cc1ccc(C(=O)NCC[NH+](C)C)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224434292 568581196 /nfs/dbraw/zinc/58/11/96/568581196.db2.gz RYAJFGKBECEPFL-UHFFFAOYSA-N 1 0 409.939 2.452 40 0 HEABRO COc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NCCC[NH+](C)C)cc2)cc1 ZINC000224440440 568581256 /nfs/dbraw/zinc/58/12/56/568581256.db2.gz NEMBLIWNUDUFMB-UHFFFAOYSA-N 1 0 419.547 2.197 40 0 HEABRO CN([C@@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1)c1ccccc1)S(C)(=O)=O ZINC000225723488 568667929 /nfs/dbraw/zinc/66/79/29/568667929.db2.gz QYGXUGOCYCGLKO-HXUWFJFHSA-N 1 0 416.547 2.010 40 0 HEABRO Cc1ncoc1C(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[NH+]1CCCCC1 ZINC000257213639 568779935 /nfs/dbraw/zinc/77/99/35/568779935.db2.gz CILPNEDQNJLDPP-YRXWBPOGSA-N 1 0 403.454 2.287 40 0 HEABRO COc1cccc(O[C@@H]2C[C@@H](NC(=O)c3cncc(C)c3)[C@H]([NH+]3CCCC3)[C@H]2O)c1 ZINC000257297197 568803518 /nfs/dbraw/zinc/80/35/18/568803518.db2.gz RGGVLVTVBAKXME-CZYKHXBRSA-N 1 0 411.502 2.174 40 0 HEABRO CNc1nc([C@H]2CCN(S(=O)(=O)c3ccc(C)c(C)c3)C2)nc2c1CCN(C)C2 ZINC000257317320 568809388 /nfs/dbraw/zinc/80/93/88/568809388.db2.gz VJHPHEQHIVKZQA-INIZCTEOSA-N 1 0 415.563 2.301 40 0 HEABRO Cc1ccc(N2C(=O)C[C@@H](N(Cc3ccccc3)C(=O)CSC(N)=[NH2+])C2=O)cc1 ZINC000261526871 568821126 /nfs/dbraw/zinc/82/11/26/568821126.db2.gz NUIHUEPHKUXFDQ-QGZVFWFLSA-N 1 0 410.499 2.282 40 0 HEABRO Cc1nc(C)c(C[N@@H+]2CCOC[C@]3(CC[C@@H](CNC(=O)c4cccnc4)O3)C2)s1 ZINC000306124564 568887660 /nfs/dbraw/zinc/88/76/60/568887660.db2.gz BTPXMZVFIMXXJX-RXVVDRJESA-N 1 0 416.547 2.335 40 0 HEABRO Cc1ccc(C[N@@H+]2C[C@@H]3Cn4c(nn(Cc5ccc(C)cc5)c(=O)c4=O)[C@@H]3C2)s1 ZINC000306125449 568888277 /nfs/dbraw/zinc/88/82/77/568888277.db2.gz CRFJFHMVYDEZMU-IEBWSBKVSA-N 1 0 408.527 2.361 40 0 HEABRO Cn1cncc1CNc1ncc2c(n1)[C@]1(CC[N@H+](Cc3cccc(O)c3)C1)COC2 ZINC000306136504 568898403 /nfs/dbraw/zinc/89/84/03/568898403.db2.gz PVINOZVNJXGORA-QFIPXVFZSA-N 1 0 406.490 2.202 40 0 HEABRO CCCNC(=O)c1nnc2n1CC1(CC[NH+](Cc3ccc(F)cc3)CC1)COC2 ZINC000306137088 568899021 /nfs/dbraw/zinc/89/90/21/568899021.db2.gz QLHQAWNBXLZYAV-UHFFFAOYSA-N 1 0 401.486 2.370 40 0 HEABRO Cc1cccc(C[N@@H+]2CC[C@@]3(C2)Cn2c(=O)c(=O)n(CC4CCCCC4)nc2CO3)c1 ZINC000306140489 568902381 /nfs/dbraw/zinc/90/23/81/568902381.db2.gz UUVNDVYLHYWSQU-XMMPIXPASA-N 1 0 424.545 2.469 40 0 HEABRO CCn1cc(C[N@H+]2C[C@@H]3Cc4nnc(C(=O)Nc5ccc(OC)cc5)n4C[C@@H]3C2)cn1 ZINC000306141002 568902697 /nfs/dbraw/zinc/90/26/97/568902697.db2.gz VIOAYHMBZPQWRT-IRXDYDNUSA-N 1 0 421.505 2.060 40 0 HEABRO CN1CC[N@H+](Cc2ccccc2)C[C@H]1c1nnc2ccc(C(=O)N3CCCC3)cn21 ZINC000306143711 568905203 /nfs/dbraw/zinc/90/52/03/568905203.db2.gz YKCYLQGNZHABIU-FQEVSTJZSA-N 1 0 404.518 2.454 40 0 HEABRO C[N@@H+]1C[C@H](C(=O)NCc2ccc(F)cc2)OC2(CCN(C(=O)c3ccco3)CC2)C1 ZINC000306144661 568906156 /nfs/dbraw/zinc/90/61/56/568906156.db2.gz ZLKATQAKCHGKLR-LJQANCHMSA-N 1 0 415.465 2.041 40 0 HEABRO CC(C)(C)OC(=O)N[C@]1(C[NH3+])[C@H](c2ccc(Br)cc2)[C@@H]1S(C)(=O)=O ZINC000218193326 568927946 /nfs/dbraw/zinc/92/79/46/568927946.db2.gz UUVZOKGAQXAXDM-DVOMOZLQSA-N 1 0 419.341 2.182 40 0 HEABRO O=C(C[NH2+]Cc1ccc2c(c1)OCO2)N1CCC(NC(=O)c2ccccc2F)CC1 ZINC000035311410 569031077 /nfs/dbraw/zinc/03/10/77/569031077.db2.gz PQXRGCGRRTVAPI-UHFFFAOYSA-N 1 0 413.449 2.065 40 0 HEABRO O=C(c1cccc(C(F)(F)F)c1)N1CCN(c2cn[nH+]c(N3CCOCC3)c2)CC1 ZINC000224328848 569057412 /nfs/dbraw/zinc/05/74/12/569057412.db2.gz ALIIPWZZMPMWGX-UHFFFAOYSA-N 1 0 421.423 2.294 40 0 HEABRO CCOc1ccc(N(CC(=O)NCC[NH+](C)C)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000010111622 569342861 /nfs/dbraw/zinc/34/28/61/569342861.db2.gz VBLJOVAGVKVFCK-UHFFFAOYSA-N 1 0 423.510 2.098 40 0 HEABRO CC[NH+]1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)CCC3CCCC3)C1)C2=O ZINC000019699805 569347057 /nfs/dbraw/zinc/34/70/57/569347057.db2.gz VTGJTPFIJMZAPZ-SFHVURJKSA-N 1 0 404.555 2.354 40 0 HEABRO CC[NH+]1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)CCC3CCCC3)C1)C2=O ZINC000019699804 569347084 /nfs/dbraw/zinc/34/70/84/569347084.db2.gz VTGJTPFIJMZAPZ-GOSISDBHSA-N 1 0 404.555 2.354 40 0 HEABRO CNc1cc(CN(C)CC(=O)N2CCCc3ccccc32)nc([C@@H]2CCC[NH2+]C2)n1 ZINC000019709573 569348030 /nfs/dbraw/zinc/34/80/30/569348030.db2.gz VZIRFKIFQJGZTF-GOSISDBHSA-N 1 0 408.550 2.397 40 0 HEABRO CNC(=O)[C@@]1(Cc2cc(C(C)C)no2)CC[N@H+](Cc2ccnc(N3CCCC3)n2)C1 ZINC000019739197 569348706 /nfs/dbraw/zinc/34/87/06/569348706.db2.gz PZYMHAABEMWQAQ-JOCHJYFZSA-N 1 0 412.538 2.369 40 0 HEABRO CNc1nc(C2CC[NH2+]CC2)nc2c1CCN(CC(=O)N(C)C1CCCCC1)C2 ZINC000019710904 569428827 /nfs/dbraw/zinc/42/88/27/569428827.db2.gz ZPKKUQYFJHLVGW-UHFFFAOYSA-N 1 0 400.571 2.135 40 0 HEABRO CN1CCN(Cc2nc(C3(O)CCN(C(=O)C4CCCCC4)CC3)cs2)CC1 ZINC000225472772 291205459 /nfs/dbraw/zinc/20/54/59/291205459.db2.gz LTYDKNZOPBPQIG-UHFFFAOYSA-N 1 0 406.596 2.281 40 0 biogenic,in-vitro HEABRO COc1ccc(C[NH2+]C[C@H]2Cn3c(-c4ccc5c(c4)OCCO5)cnc3CO2)cn1 ZINC000096296443 291208522 /nfs/dbraw/zinc/20/85/22/291208522.db2.gz FIYLPUBWLJQKHS-KRWDZBQOSA-N 1 0 408.458 2.414 40 0 biogenic,in-vitro HEABRO O=C(NC1CCCCC1)[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2Cn1cc(C2(O)CCCC2)nn1 ZINC000008299807 291211855 /nfs/dbraw/zinc/21/18/55/291211855.db2.gz RWEKICNBCQQMDO-UHOSZYNNSA-N 1 0 401.555 2.199 40 0 biogenic,in-vitro HEABRO O=C(Nc1nccs1)[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2Cn1cc(C2(O)CCCCC2)nn1 ZINC000008298416 291212564 /nfs/dbraw/zinc/21/25/64/291212564.db2.gz JUCXYDQCHCXUKP-XHSDSOJGSA-N 1 0 416.551 2.235 40 0 biogenic,in-vitro HEABRO Cn1c2ccc(S(=O)(=O)NCCC[N@@H+]3CCc4ccccc4C3)cc2sc1=O ZINC000225682707 527104157 /nfs/dbraw/zinc/10/41/57/527104157.db2.gz UIVYQUZFEUQXHS-UHFFFAOYSA-N 1 0 417.556 2.327 40 0 HEABRO CN1C(=O)N(C)C2(CC[NH+](C[C@H](CC3OCCO3)c3ccc(F)cc3)CC2)C1=O ZINC000001641787 557278282 /nfs/dbraw/zinc/27/82/82/557278282.db2.gz ANOMMQAZHCWMRH-INIZCTEOSA-N 1 0 405.470 2.031 40 0 HEABRO Cn1c2cc(NC(=O)CCc3ccccc3)c(N3CC[NH+](C)CC3)cc2n(C)c1=O ZINC000408526451 557288116 /nfs/dbraw/zinc/28/81/16/557288116.db2.gz BJUJPRWNDCQWBH-UHFFFAOYSA-N 1 0 407.518 2.200 40 0 HEABRO COc1ccc(C)cc1N(CC(=O)NCCC[NH+]1CCCCCC1)S(C)(=O)=O ZINC000010111173 557855152 /nfs/dbraw/zinc/85/51/52/557855152.db2.gz RTHJJZLLDGJZKY-UHFFFAOYSA-N 1 0 411.568 2.152 40 0 HEABRO C[C@H](C[NH+]1CCCCC1)NC(=O)Cn1cccc(C(=O)Nc2ccc(F)cc2)c1=O ZINC000019750738 558270675 /nfs/dbraw/zinc/27/06/75/558270675.db2.gz BXOOCKGJIPPUHC-MRXNPFEDSA-N 1 0 414.481 2.230 40 0 HEABRO COc1ccc(S(=O)(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1N1CCCC1=O ZINC000020495060 558380213 /nfs/dbraw/zinc/38/02/13/558380213.db2.gz CIRHWBXOOKCECU-IRXDYDNUSA-N 1 0 423.579 2.468 40 0 HEABRO CS(=O)(=O)N(CC(=O)NCCC[NH+]1CCCCCC1)c1cccc(Cl)c1 ZINC000013676478 558564636 /nfs/dbraw/zinc/56/46/36/558564636.db2.gz PLMARFAVODAPTR-UHFFFAOYSA-N 1 0 401.960 2.488 40 0 HEABRO Cc1c(C)n2c(nc3c2c(=O)n(C/C=C/c2ccccc2)c(=O)n3C)n1CC[NH+](C)C ZINC000023989609 558583610 /nfs/dbraw/zinc/58/36/10/558583610.db2.gz PTLZIQMZUBNVJV-FMIVXFBMSA-N 1 0 420.517 2.041 40 0 HEABRO CC[C@@H](C)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1([NH2+][C@H]2CCSC)C(=O)Nc2ccc(F)cc21 ZINC000035375177 558790673 /nfs/dbraw/zinc/79/06/73/558790673.db2.gz NVVBORDBMCXQLB-HEGJBEEJSA-N 1 0 405.495 2.098 40 0 HEABRO O=C1CC[C@@H]([NH2+]Cc2ccc(CN3CCOCC3)o2)[C@H](c2cc(F)cc(F)c2)N1 ZINC000019342574 558871977 /nfs/dbraw/zinc/87/19/77/558871977.db2.gz WCKVGAVSBDUEGB-CTNGQTDRSA-N 1 0 405.445 2.500 40 0 HEABRO C[C@@H](c1ccc(F)cc1)[N@@H+]1C[C@H](C(=O)N(C)C)[C@@]2(C1)COc1ccccc1C(=O)N2 ZINC000072334346 558935353 /nfs/dbraw/zinc/93/53/53/558935353.db2.gz CBUXAXLAIYBTRO-FCORRRHLSA-N 1 0 411.477 2.468 40 0 HEABRO C[NH+](C)CC(=O)N1CCc2nc([C@H]3CCCN3Cc3cccs3)[nH]c(=O)c2C1 ZINC000019581795 558937110 /nfs/dbraw/zinc/93/71/10/558937110.db2.gz KUACYYWDXIITFM-QGZVFWFLSA-N 1 0 401.536 2.027 40 0 HEABRO Cc1cc(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+](C)C)nc(N2CCOCC2)n1 ZINC000019660374 558951654 /nfs/dbraw/zinc/95/16/54/558951654.db2.gz BKVDZGTYBVUMBA-SFHVURJKSA-N 1 0 403.914 2.308 40 0 HEABRO CNc1nc([C@@H]2CCCN2S(=O)(=O)c2ccccc2Cl)nc2c1C[NH2+]CC2 ZINC000072372368 558959762 /nfs/dbraw/zinc/95/97/62/558959762.db2.gz BJGMHTWUZPMSKM-HNNXBMFYSA-N 1 0 407.927 2.343 40 0 HEABRO COCCN1C[C@@H](c2cc(N(C)C)nc(C3CC[NH+](CC4CC4)CC3)n2)CC1=O ZINC000019697401 558965028 /nfs/dbraw/zinc/96/50/28/558965028.db2.gz SZCAVPAVABATNR-SFHVURJKSA-N 1 0 401.555 2.094 40 0 HEABRO Cc1nc([C@H]2CCCN(C(=O)C[NH+](C)C)C2)nc2c1CCCN2Cc1ccccn1 ZINC000019706539 558968942 /nfs/dbraw/zinc/96/89/42/558968942.db2.gz ZTVLROKHTXRALQ-SFHVURJKSA-N 1 0 408.550 2.400 40 0 HEABRO CNc1nc([C@H]2CCC[NH2+]2)nc2c1CCN(Cc1cc3c(cc1OC)OCCO3)C2 ZINC000019707271 558969483 /nfs/dbraw/zinc/96/94/83/558969483.db2.gz LWLDSSKXRFRFEB-MRXNPFEDSA-N 1 0 411.506 2.281 40 0 HEABRO COc1ncc([C@]2(O)CC[C@H]3C[N@H+](Cc4c[nH]nc4C(C)(C)C)C[C@H]32)c(OC)n1 ZINC000072392640 558972484 /nfs/dbraw/zinc/97/24/84/558972484.db2.gz YKTAUYLGHYNCSW-CQURBHOASA-N 1 0 401.511 2.244 40 0 HEABRO Cc1c(C)c(N)c(C[N@@H+]2CC[C@H](c3cc(=O)[nH]c(N4CCOCC4)n3)C2)cc1Cl ZINC000072394678 558973599 /nfs/dbraw/zinc/97/35/99/558973599.db2.gz OXXQRBSRNQHAEN-HNNXBMFYSA-N 1 0 417.941 2.448 40 0 HEABRO Cc1c(C)c(N)c(C[N@@H+]2CC[C@@H](c3cc(=O)[nH]c(N4CCOCC4)n3)C2)cc1Cl ZINC000072394679 558973609 /nfs/dbraw/zinc/97/36/09/558973609.db2.gz OXXQRBSRNQHAEN-OAHLLOKOSA-N 1 0 417.941 2.448 40 0 HEABRO COc1cc([C@@H]2c3cc4c(cc3O[C@H]([NH2+]CCO)[C@H]2C)OCO4)cc(OC)c1O ZINC000073330535 558986310 /nfs/dbraw/zinc/98/63/10/558986310.db2.gz PLYMCEKNTUNNOM-BJWLPLICSA-N 1 0 403.431 2.207 40 0 HEABRO Cc1nc(C)c(C(=O)N2CCC3(CO[C@H](C[N@H+]4CC[C@@H](C)[C@H](O)C4)C3)CC2)s1 ZINC000585103684 559025803 /nfs/dbraw/zinc/02/58/03/559025803.db2.gz IDPGHYBOEUDZNS-FHLIZLRMSA-N 1 0 407.580 2.474 40 0 HEABRO Cc1ccc(OCC(=O)N2CCC3(CO[C@H](C[N@@H+]4CCC[C@H](O)C4)C3)CC2)cc1 ZINC000585104836 559027325 /nfs/dbraw/zinc/02/73/25/559027325.db2.gz UCSCGMGEPVRNBP-FPOVZHCZSA-N 1 0 402.535 2.228 40 0 HEABRO Cc1ccc(OCC(=O)N2CCC3(CO[C@@H](C[N@H+]4CC[C@@H](C)[C@H](O)C4)C3)CC2)cc1 ZINC000585104906 559027479 /nfs/dbraw/zinc/02/74/79/559027479.db2.gz WRJMJZWEJXRENH-CEMLEFRQSA-N 1 0 416.562 2.474 40 0 HEABRO O=C(c1ccc2c(c1)CCO2)N1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](CC3CCCC3)C[C@@H]12 ZINC000585106272 559028661 /nfs/dbraw/zinc/02/86/61/559028661.db2.gz KNKMPAOFWWYHBI-RTWAWAEBSA-N 1 0 423.557 2.464 40 0 HEABRO CCN1C(=O)[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2C12CCN(C(=O)c1ccncc1)CC2 ZINC000096143629 559096053 /nfs/dbraw/zinc/09/60/53/559096053.db2.gz HQXIJEOGVDTPRU-LEWJYISDSA-N 1 0 419.529 2.062 40 0 HEABRO COCC[N@@H+]1CC2(CCN(C(=O)c3ccc(Cl)cc3)CC2)[C@]2(CCNC2=O)C1 ZINC000096144167 559096518 /nfs/dbraw/zinc/09/65/18/559096518.db2.gz YWQTZXFGNFCFMV-OAQYLSRUSA-N 1 0 405.926 2.031 40 0 HEABRO CN1CC[N@H+](CC2CC2)C[C@@H]1c1nnc2ccc(C(=O)NCCc3ccccc3)cn21 ZINC000096156612 559100591 /nfs/dbraw/zinc/10/05/91/559100591.db2.gz UZVMQVVDRNKCFV-OAQYLSRUSA-N 1 0 418.545 2.400 40 0 HEABRO O=C(NCc1cccnc1)[C@@H]1Cn2ccnc2C2(CC[NH+](Cc3ccoc3)CC2)O1 ZINC000096243819 559104959 /nfs/dbraw/zinc/10/49/59/559104959.db2.gz NISKNFSXZLYILT-IBGZPJMESA-N 1 0 407.474 2.078 40 0 HEABRO CCN1CC[C@@]2(C[N@H+](CCOC)CC23CCN(C(=O)c2ccoc2C)CC3)C1=O ZINC000096262789 559106729 /nfs/dbraw/zinc/10/67/29/559106729.db2.gz AYRFBYNDUZETSB-JOCHJYFZSA-N 1 0 403.523 2.011 40 0 HEABRO COCC[N@@H+]1CC[C@@H](c2nnc3ccc(C(=O)NCc4cccc(OC)c4)cn32)C1 ZINC000096267479 559108222 /nfs/dbraw/zinc/10/82/22/559108222.db2.gz YPEKJGILYBMGDH-QGZVFWFLSA-N 1 0 409.490 2.104 40 0 HEABRO CCOc1ccccc1OC[C@H](O)C[N@H+](C)Cc1ccc(OCCO)c(OC)c1 ZINC000585269597 559115195 /nfs/dbraw/zinc/11/51/95/559115195.db2.gz AKLYZSDYZRHMOK-GOSISDBHSA-N 1 0 405.491 2.337 40 0 HEABRO CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](CCSC)[NH2+][C@@]21C(=O)Nc2ccc(F)cc21 ZINC000104168111 559158692 /nfs/dbraw/zinc/15/86/92/559158692.db2.gz NVVBORDBMCXQLB-FIBZFJQZSA-N 1 0 405.495 2.098 40 0 HEABRO COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NC3CC[NH+](C)CC3)cc2)cc1 ZINC000113936203 559182246 /nfs/dbraw/zinc/18/22/46/559182246.db2.gz QMKKAUFLCXJERC-UHFFFAOYSA-N 1 0 417.531 2.344 40 0 HEABRO Cn1cccc1C(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCN(C)CC2)CC1 ZINC000257200332 559282187 /nfs/dbraw/zinc/28/21/87/559282187.db2.gz ACWWXNCCEFVVGH-RSEQLOHWSA-N 1 0 424.589 2.244 40 0 HEABRO COCCOc1cc(CN2CC[C@@](O)(C[NH+]3CCC(F)(F)CC3)C2)ccc1OC ZINC000257210629 559282516 /nfs/dbraw/zinc/28/25/16/559282516.db2.gz BVNABARWBSWBMJ-HXUWFJFHSA-N 1 0 414.493 2.388 40 0 HEABRO CN1CC[NH+]([C@H]2CC[C@](CNC(=O)c3ccccn3)(c3ccccc3)CC[C@@H]2O)CC1 ZINC000257318583 559282964 /nfs/dbraw/zinc/28/29/64/559282964.db2.gz VOORILHFOZAILM-LSQMVHIFSA-N 1 0 422.573 2.300 40 0 HEABRO C[N@H+](Cc1ccc(OCCn2cccn2)cc1)C[C@]1(O)CCN(c2ccccn2)C1 ZINC000257326300 559283230 /nfs/dbraw/zinc/28/32/30/559283230.db2.gz WWRMRAHETUJIMJ-HSZRJFAPSA-N 1 0 407.518 2.430 40 0 HEABRO CCc1ccc2[nH]c(=O)c(CN(CC[NH+](C)C)C(=S)NCCCOC)cc2c1 ZINC000004133442 560600550 /nfs/dbraw/zinc/60/05/50/560600550.db2.gz DTNKZBXBOBGHQS-UHFFFAOYSA-N 1 0 404.580 2.365 40 0 HEABRO COc1ccc(Cl)cc1N(CC(=O)NCCC[NH+]1CCCCC1)S(C)(=O)=O ZINC000010278013 560766481 /nfs/dbraw/zinc/76/64/81/560766481.db2.gz XQJRGQYNIXUYCI-UHFFFAOYSA-N 1 0 417.959 2.107 40 0 HEABRO C[NH+]1CCN(C[C@H](O)COc2ccc(Br)cc2Br)CC1 ZINC000022918092 560891144 /nfs/dbraw/zinc/89/11/44/560891144.db2.gz PJZYPJDCIBYRBD-LBPRGKRZSA-N 1 0 408.134 2.199 40 0 HEABRO CNC(=O)c1cc(S(=O)(=O)NCc2cccc(C[NH+]3CCCC3)c2)ccc1OC ZINC000224617016 568588151 /nfs/dbraw/zinc/58/81/51/568588151.db2.gz NYAQDKDSJULIBF-UHFFFAOYSA-N 1 0 417.531 2.129 40 0 HEABRO Cc1ccc(=O)n(CC(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCC[C@H]4[NH2+][C@@H]3Cc2ccccc2)n1 ZINC000257225132 568783540 /nfs/dbraw/zinc/78/35/40/568783540.db2.gz FEZRSGQWDBKDSU-FPFQSLQCSA-N 1 0 406.530 2.295 40 0 HEABRO C[NH+]1CCC(C(=O)N[C@@H]2CC[C@@]3(CO)C[C@H](c4ccccc4)C[C@](C)(O3)[C@H]2O)CC1 ZINC000257230658 568785211 /nfs/dbraw/zinc/78/52/11/568785211.db2.gz GDHUZZANBCPSEU-LBQHQWNISA-N 1 0 416.562 2.052 40 0 HEABRO NC(=O)[C@H]1CN(Cc2ccccc2)CCN1CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000257233485 568785806 /nfs/dbraw/zinc/78/58/06/568785806.db2.gz GPMLRZZLUIQXJG-GOSISDBHSA-N 1 0 420.435 2.316 40 0 HEABRO CN(C[C@]1(O)CCCN(c2cnccn2)C1)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000257272757 568796392 /nfs/dbraw/zinc/79/63/92/568796392.db2.gz NDSWKOWNNGAHIH-HSZRJFAPSA-N 1 0 409.534 2.176 40 0 HEABRO Cc1cc(N2CC[C@@](O)(CN(C)C(=O)c3ccc(C[NH3+])cc3)C2)c2cnccc2n1 ZINC000257289341 568801166 /nfs/dbraw/zinc/80/11/66/568801166.db2.gz PYFKTQLHUBPFCK-HSZRJFAPSA-N 1 0 405.502 2.110 40 0 HEABRO CN1C(=O)C2(CCN(C(=O)C[N@H+](C)C3CCCC3)CC2)C[C@@H](O)[C@@H]1c1ccccc1 ZINC000257292856 568802432 /nfs/dbraw/zinc/80/24/32/568802432.db2.gz QNFKNCFHEBAKFR-IRLDBZIGSA-N 1 0 413.562 2.434 40 0 HEABRO CN(CC1(O)CCN(c2ccnc3ccncc32)CC1)C(=O)c1ccc(C[NH3+])cc1 ZINC000257323111 568811186 /nfs/dbraw/zinc/81/11/86/568811186.db2.gz WIULQKJQLULMRX-UHFFFAOYSA-N 1 0 405.502 2.192 40 0 HEABRO C[NH2+]Cc1cc(N(C)C)nc([C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000019760636 568871211 /nfs/dbraw/zinc/87/12/11/568871211.db2.gz NRXNDXCCFUUUKH-MRXNPFEDSA-N 1 0 409.943 2.441 40 0 HEABRO COCCN1CC[C@]2(C[N@H+](Cc3nccs3)C[C@@H]2c2cn(C(C)C)cn2)C1=O ZINC000306128329 568891238 /nfs/dbraw/zinc/89/12/38/568891238.db2.gz GXJPQWJAFYEERE-OXQOHEQNSA-N 1 0 403.552 2.385 40 0 HEABRO Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCO[C@@]2(CCCC[C@@H]2[NH+]2CCCC2)C1 ZINC000306128459 568891478 /nfs/dbraw/zinc/89/14/78/568891478.db2.gz HAVWAOMBYRDTNU-YJBOKZPZSA-N 1 0 416.975 2.180 40 0 HEABRO Cn1cc(C[N@@H+]2C[C@@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccsc2)C3=O)cn1 ZINC000306129747 568892322 /nfs/dbraw/zinc/89/23/22/568892322.db2.gz ILNYPYIGQQHAJV-UNMCSNQZSA-N 1 0 423.542 2.274 40 0 HEABRO O=C1N(Cc2ccncc2)CCO[C@]12C[N@H+](Cc1ccco1)C[C@H]2c1cccnc1 ZINC000306132793 568895140 /nfs/dbraw/zinc/89/51/40/568895140.db2.gz LSEZDQOYRQUHQK-GMAHTHKFSA-N 1 0 404.470 2.467 40 0 HEABRO COc1ncccc1C[N@H+]1C[C@H]2Cc3nnc(C(=O)Nc4cccc(F)c4)n3C[C@@H]2C1 ZINC000306134115 568896105 /nfs/dbraw/zinc/89/61/05/568896105.db2.gz NDVMTIMHTZSRTC-CVEARBPZSA-N 1 0 422.464 2.377 40 0 HEABRO COc1ncccc1C[N@@H+]1C[C@@H]2Cn3c(nnc3C(=O)Nc3ccccc3)C[C@@H]2C1 ZINC000306134894 568896751 /nfs/dbraw/zinc/89/67/51/568896751.db2.gz OAXNZVPTDXQVMK-IAGOWNOFSA-N 1 0 404.474 2.238 40 0 HEABRO COc1ncccc1C[N@H+]1C[C@@H]2Cc3nnc(C(=O)Nc4ccccc4)n3C[C@H]2C1 ZINC000306134893 568896832 /nfs/dbraw/zinc/89/68/32/568896832.db2.gz OAXNZVPTDXQVMK-DLBZAZTESA-N 1 0 404.474 2.238 40 0 HEABRO Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@]32CC[N@H+](Cc3cccc(C)c3)C2)cs1 ZINC000306135482 568897143 /nfs/dbraw/zinc/89/71/43/568897143.db2.gz OSGGDCUMXZOMAZ-QFIPXVFZSA-N 1 0 423.542 2.074 40 0 HEABRO CC(C)N(C)C(=O)c1nnc2n1CCN(C)C21CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000306136146 568897957 /nfs/dbraw/zinc/89/79/57/568897957.db2.gz PKTQEVCAMACSEW-UHFFFAOYSA-N 1 0 414.529 2.334 40 0 HEABRO O=c1c2c(nc3n1CC1(C3)CC[NH+](Cc3ccco3)CC1)CCN(c1ncccn1)C2 ZINC000306137010 568898964 /nfs/dbraw/zinc/89/89/64/568898964.db2.gz QIVYCPDWZLLREY-UHFFFAOYSA-N 1 0 418.501 2.028 40 0 HEABRO CCn1cc(C[N@H+]2C[C@@H]3Cc4nnc(C(=O)Nc5cccc(F)c5)n4C[C@@H]3C2)cn1 ZINC000306138373 568900475 /nfs/dbraw/zinc/90/04/75/568900475.db2.gz RWBDCQSKOVOPAW-HOTGVXAUSA-N 1 0 409.469 2.190 40 0 HEABRO CC(C)NC(=O)c1nnc2n1CC1(CC2)CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000306140059 568901841 /nfs/dbraw/zinc/90/18/41/568901841.db2.gz UIKILPKMVZSSCI-UHFFFAOYSA-N 1 0 411.506 2.374 40 0 HEABRO CCOC(=O)[C@@]1(C[NH3+])[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218107285 568925783 /nfs/dbraw/zinc/92/57/83/568925783.db2.gz ISKDFYVKIGXWFK-DYXWJJEUSA-N 1 0 403.500 2.452 40 0 HEABRO CCOC(=O)[C@]1(C[NH3+])[C@@H](c2ccc(OC)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000242522427 568963509 /nfs/dbraw/zinc/96/35/09/568963509.db2.gz ISKDFYVKIGXWFK-QKNQBKEWSA-N 1 0 403.500 2.452 40 0 HEABRO CN(C)c1cn[nH+]c(N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000224314243 569057119 /nfs/dbraw/zinc/05/71/19/569057119.db2.gz ZWYBLMYZTRLOME-UHFFFAOYSA-N 1 0 416.334 2.360 40 0 HEABRO O=C(c1ccccc1C(F)(F)F)N1CCN(c2cc(N3CCOCC3)cn[nH+]2)CC1 ZINC000224318532 569057156 /nfs/dbraw/zinc/05/71/56/569057156.db2.gz HVVJICLTZSWMAO-UHFFFAOYSA-N 1 0 421.423 2.294 40 0 HEABRO CCOc1ccccc1NC(=O)N1CCN(c2cc(N3CCOCC3)cn[nH+]2)CC1 ZINC000224323524 569057342 /nfs/dbraw/zinc/05/73/42/569057342.db2.gz RWLPPAWFGXPWNA-UHFFFAOYSA-N 1 0 412.494 2.066 40 0 HEABRO C[C@@H]1C[C@H]1C(=O)N1CCC(N2C(=O)NC3(CC[NH+](Cc4ccccc4)CC3)C2=O)CC1 ZINC000019699467 569346962 /nfs/dbraw/zinc/34/69/62/569346962.db2.gz GKJXCGGXJQJDDX-YLJYHZDGSA-N 1 0 424.545 2.220 40 0 HEABRO C[NH2+]Cc1cc(N(C)C)nc([C@@H]2CCCN2S(=O)(=O)c2ccc(OC)c(C)c2)n1 ZINC000019760855 569429644 /nfs/dbraw/zinc/42/96/44/569429644.db2.gz RMOZFJNTKHMJLN-KRWDZBQOSA-N 1 0 419.551 2.105 40 0 HEABRO C[N@@H+]1[C@@H]2CCN(Cc3ccccc3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)Nc1ccccc1 ZINC000035442474 291205673 /nfs/dbraw/zinc/20/56/73/291205673.db2.gz HBYCCWNJWBHDBV-XJUOHMSHSA-N 1 0 406.530 2.479 40 0 biogenic,in-vitro HEABRO COC(=O)[C@@H]1[C@@H](OC)[C@H](O)C[C@@H]2CN3CCc4c5ccc(OC)cc5[nH]c4[C@H]3C[C@@H]21 ZINC000005733900 291205883 /nfs/dbraw/zinc/20/58/83/291205883.db2.gz MDJQWFFIUHUJSB-UQVJXISSSA-N 1 0 414.502 2.281 40 0 biogenic,in-vitro HEABRO CC(=O)N1CCc2cc(NC(=O)[C@@H](C)C[NH+]3CCN(c4ccccn4)CC3)ccc21 ZINC000019456195 132467409 /nfs/dbraw/zinc/46/74/09/132467409.db2.gz APPXXEHYAJEHDA-KRWDZBQOSA-N 1 0 407.518 2.387 40 0 HEABRO CCOc1cccc(C[NH2+]CCNC(=O)c2nonc2N)c1OCc1ccccc1 ZINC000007539411 557746171 /nfs/dbraw/zinc/74/61/71/557746171.db2.gz QWASGZIJXXSKLW-UHFFFAOYSA-N 1 0 411.462 2.149 40 0 HEABRO CCOc1ccccc1N(CC(=O)NCC[NH+](C)C)S(=O)(=O)c1ccc(C)cc1 ZINC000010111543 557855336 /nfs/dbraw/zinc/85/53/36/557855336.db2.gz WRPYCTFOCGHCQO-UHFFFAOYSA-N 1 0 419.547 2.267 40 0 HEABRO CC(C)N1CCCc2cc(-c3cncn3CC[NH2+][C@H]3CCS(=O)(=O)C3)ccc21 ZINC000019719576 558257948 /nfs/dbraw/zinc/25/79/48/558257948.db2.gz RMPIELIJKVAAPZ-IBGZPJMESA-N 1 0 402.564 2.488 40 0 HEABRO CC1CC[NH+](CCCNC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)CC1 ZINC000010540538 558258743 /nfs/dbraw/zinc/25/87/43/558258743.db2.gz JGADMHWNYSGUQX-UHFFFAOYSA-N 1 0 401.960 2.344 40 0 HEABRO CN(C)C(=O)C[N@@H+]1CCCC[C@@H]1C1CCN(C(=O)c2ccc3nsnc3c2)CC1 ZINC000019746317 558266332 /nfs/dbraw/zinc/26/63/32/558266332.db2.gz MIPOHJUQZNPDQC-LJQANCHMSA-N 1 0 415.563 2.486 40 0 HEABRO C[C@H](CNC(=O)c1cccn(CC(=O)Nc2ccc(F)cc2)c1=O)[NH+]1CCCCC1 ZINC000019750177 558270248 /nfs/dbraw/zinc/27/02/48/558270248.db2.gz DICHTVJALDALQJ-MRXNPFEDSA-N 1 0 414.481 2.230 40 0 HEABRO CCN1C(=O)[C@@H](c2ccc(F)cc2)C2(CC[NH+](CC(=O)N3CCCCC3)CC2)C1=O ZINC000012115845 558328046 /nfs/dbraw/zinc/32/80/46/558328046.db2.gz XALFLSJSYUFWRE-HXUWFJFHSA-N 1 0 415.509 2.393 40 0 HEABRO CCOc1ccc(N(CC(=O)NCC[NH+](C)C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000013649087 558557853 /nfs/dbraw/zinc/55/78/53/558557853.db2.gz IWMPWMBMLZGFEP-UHFFFAOYSA-N 1 0 419.547 2.267 40 0 HEABRO CS(=O)(=O)N(CC(=O)NCCC[NH+]1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000013669679 558561319 /nfs/dbraw/zinc/56/13/19/558561319.db2.gz SYLIJLIJFUNZIV-UHFFFAOYSA-N 1 0 407.458 2.074 40 0 HEABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCC[NH+](C)C)c2cc(C)ccc2C)cc1 ZINC000013672212 558562947 /nfs/dbraw/zinc/56/29/47/558562947.db2.gz BANMGDOWRPPMAG-UHFFFAOYSA-N 1 0 403.548 2.485 40 0 HEABRO Cc1ccc2c(c1)C(=O)N(CC(=O)NCc1ccncc1)CC1(CC[NH+](C)CC1)O2 ZINC000019218619 558851151 /nfs/dbraw/zinc/85/11/51/558851151.db2.gz KYVDLAUCANZGEC-UHFFFAOYSA-N 1 0 408.502 2.005 40 0 HEABRO O=S(=O)(c1ccccc1F)N1C[C@H]2CCC[N@@H+]2C[C@@H]1Cn1nnc2ccccc21 ZINC000019376718 558882743 /nfs/dbraw/zinc/88/27/43/558882743.db2.gz JEFGUQIDXKWKJY-HZPDHXFCSA-N 1 0 415.494 2.108 40 0 HEABRO NC(=O)[C@@H]1CCC[N@H+](Cc2c3nccnc3[nH]c2C2CCN(C(=O)C3CCC3)CC2)C1 ZINC000019404235 558884447 /nfs/dbraw/zinc/88/44/47/558884447.db2.gz FLGIFGGADWBSHC-QGZVFWFLSA-N 1 0 424.549 2.161 40 0 HEABRO CC(C)[N@@H+]1CCc2nc([C@H]3CCCN3C(=O)Cc3ccc4c(c3)OCO4)[nH]c(=O)c2C1 ZINC000019448267 558887055 /nfs/dbraw/zinc/88/70/55/558887055.db2.gz DCSGIIBQZBOWIM-GOSISDBHSA-N 1 0 424.501 2.171 40 0 HEABRO Cc1cc(-c2cc(=O)n(CC(=O)N3CCC[N@@H+](C)CC3)nc2-c2cccs2)on1 ZINC000072337282 558937649 /nfs/dbraw/zinc/93/76/49/558937649.db2.gz LTAIRCPFGMNBBV-UHFFFAOYSA-N 1 0 413.503 2.099 40 0 HEABRO Cc1nc([C@@H]2CCCCN2C(=O)C[NH+](C)C)nc2c1CCC(=O)N2Cc1ccccn1 ZINC000019696053 558964377 /nfs/dbraw/zinc/96/43/77/558964377.db2.gz MMTYHAZWTCRXCW-IBGZPJMESA-N 1 0 422.533 2.275 40 0 HEABRO O=c1ccc(C2CC2)nn1CC1(O)C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc2c(c1)OCCO2 ZINC000072394969 558973724 /nfs/dbraw/zinc/97/37/24/558973724.db2.gz FPDBNVBGLJFXDQ-QRQCMCJISA-N 1 0 423.513 2.450 40 0 HEABRO C[NH+](C)CCN1C[C@H](c2ccccc2)[C@@]2(CN(C(=O)c3cccs3)CCO2)C1=O ZINC000585107436 559027997 /nfs/dbraw/zinc/02/79/97/559027997.db2.gz VVKCEXDPUMMWAE-GCJKJVERSA-N 1 0 413.543 2.147 40 0 HEABRO C[NH+](C)CCN1C[C@@H](c2ccccc2)[C@]2(CN(C(=O)Cc3ccccc3)CCO2)C1=O ZINC000585106628 559028951 /nfs/dbraw/zinc/02/89/51/559028951.db2.gz CZFKQQCFUBGHDH-WIOPSUGQSA-N 1 0 421.541 2.014 40 0 HEABRO COC(=O)[C@@]1(C)C[C@H]([N@H+](C)Cc2ccccc2)CCN1C(=O)c1cccn(C)c1=O ZINC000585113249 559031193 /nfs/dbraw/zinc/03/11/93/559031193.db2.gz TWLBDFAUOIGKCB-WZONZLPQSA-N 1 0 411.502 2.054 40 0 HEABRO COc1cccc(CN2Cc3ccccc3[C@@]23CO[C@H](C(=O)NCC[NH+](C)C)C3)c1 ZINC000096143937 559096222 /nfs/dbraw/zinc/09/62/22/559096222.db2.gz JCOMOFLPPAQMMC-LADGPHEKSA-N 1 0 409.530 2.373 40 0 HEABRO C[NH+](C)CCN1[C@H]2CCN(C(=O)C(C)(C)C)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC000096145908 559097643 /nfs/dbraw/zinc/09/76/43/559097643.db2.gz ONRWZGZFXQZOSC-IRXDYDNUSA-N 1 0 423.579 2.037 40 0 HEABRO CC[C@H](CO)NC(=O)c1ncn2c1nccc2C1CC[NH+](Cc2cccnc2)CC1 ZINC000096155709 559099854 /nfs/dbraw/zinc/09/98/54/559099854.db2.gz CLIOLBKQSIDCFJ-GOSISDBHSA-N 1 0 408.506 2.005 40 0 HEABRO CC[C@@H](CO)NC(=O)c1ncn2c1nccc2C1CC[NH+](Cc2cccnc2)CC1 ZINC000096155708 559099882 /nfs/dbraw/zinc/09/98/82/559099882.db2.gz CLIOLBKQSIDCFJ-SFHVURJKSA-N 1 0 408.506 2.005 40 0 HEABRO Cc1cccc(C(=O)N2Cc3ccccc3C3(CC[NH+](CC(=O)N(C)C)CC3)C2)n1 ZINC000096242434 559103973 /nfs/dbraw/zinc/10/39/73/559103973.db2.gz DCQRKJDKLAUTKQ-UHFFFAOYSA-N 1 0 406.530 2.468 40 0 HEABRO CCN1CC[C@]2(C[N@H+](CCOC)CC23CCN(C(=O)c2ccoc2C)CC3)C1=O ZINC000096262788 559106719 /nfs/dbraw/zinc/10/67/19/559106719.db2.gz AYRFBYNDUZETSB-QFIPXVFZSA-N 1 0 403.523 2.011 40 0 HEABRO CCN1CC[C@@]2(C[N@H+](CCOC)CC23CCN(C(=O)c2ccsc2)CC3)C1=O ZINC000096262793 559106749 /nfs/dbraw/zinc/10/67/49/559106749.db2.gz TVAKIQMMKFIVLU-OAQYLSRUSA-N 1 0 405.564 2.171 40 0 HEABRO CCCc1cnc(Nc2ccnc(C3CCN(C(=O)[C@@H]4C[NH2+]CCO4)CC3)n2)s1 ZINC000585263094 559111868 /nfs/dbraw/zinc/11/18/68/559111868.db2.gz JTQDRZQCEYRSFY-INIZCTEOSA-N 1 0 416.551 2.324 40 0 HEABRO Cc1cc(C)n(CCOc2ccc(C[NH2+]C[C@@]3(O)CCN(c4ncccn4)C3)cc2)n1 ZINC000585271283 559116602 /nfs/dbraw/zinc/11/66/02/559116602.db2.gz VYZJQGNCCQPKAD-QHCPKHFHSA-N 1 0 422.533 2.100 40 0 HEABRO O=C(CCc1ccccc1)N1CC[C@](O)(C[NH+]2CCC(C(F)(F)F)CC2)[C@@H](O)C1 ZINC000585286184 559121830 /nfs/dbraw/zinc/12/18/30/559121830.db2.gz WUKLYVJQALPMOE-ICSRJNTNSA-N 1 0 414.468 2.218 40 0 HEABRO COCC[N@@H+]1CC2(CCN(C(=O)Nc3cccc(C)c3)CC2)[C@]2(CCNC2=O)C1 ZINC000107181697 559164722 /nfs/dbraw/zinc/16/47/22/559164722.db2.gz DWKSNQHCZCDCLM-JOCHJYFZSA-N 1 0 400.523 2.077 40 0 HEABRO COCCOc1cc(C[N@H+](C)C[C@]2(O)CCN(c3ccccn3)C2)ccc1OC ZINC000257295498 559285766 /nfs/dbraw/zinc/28/57/66/559285766.db2.gz QYOPSYJBOYNZMQ-JOCHJYFZSA-N 1 0 401.507 2.189 40 0 HEABRO O=C(Cc1ccccc1)N1C[C@@H]2C[C@@H](O)CN2C2(C[NH+](C3CCC(F)(F)CC3)C2)C1 ZINC000514290297 560029672 /nfs/dbraw/zinc/02/96/72/560029672.db2.gz WNSLKGCEZAACFX-VQTJNVASSA-N 1 0 419.516 2.139 40 0 biogenic,in-vitro HEABRO CC(=O)N1CCC([N@@H+]2C[C@@H]3[C@H](C2)Oc2ccc(C(F)(F)F)cc2C(=O)N3C)CC1 ZINC000514288674 560034545 /nfs/dbraw/zinc/03/45/45/560034545.db2.gz QHNGQBIEILBCJR-AEFFLSMTSA-N 1 0 411.424 2.234 40 0 biogenic,in-vitro HEABRO C[C@@H](C(=O)NCCC[NH+]1CCCCC1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000010278798 560766475 /nfs/dbraw/zinc/76/64/75/560766475.db2.gz KLXSXTFONIUGBU-HNNXBMFYSA-N 1 0 401.960 2.487 40 0 HEABRO Cc1ccc(Cl)cc1N([C@H](C)C(=O)NCCC[NH+]1CCCC1)S(C)(=O)=O ZINC000010450174 560769760 /nfs/dbraw/zinc/76/97/60/560769760.db2.gz XQNKJXOVMISBOQ-OAHLLOKOSA-N 1 0 401.960 2.405 40 0 HEABRO CC(C)(C)c1nccc(C[C@H]2[C@H]([NH2+]Cc3ccc4c(c3)OCO4)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382334 568489513 /nfs/dbraw/zinc/48/95/13/568489513.db2.gz OKSDWBXRKAOEBB-NCXUSEDFSA-N 1 0 413.518 2.193 40 0 biogenic,in-vitro HEABRO COc1ccc(C[N@H+](C)C[C@]2(O)CCCN(C(=O)Cc3c(C)n[nH]c3C)CC2)cc1 ZINC000257208057 568778515 /nfs/dbraw/zinc/77/85/15/568778515.db2.gz BKMVSPWZEUOBQL-QHCPKHFHSA-N 1 0 414.550 2.453 40 0 HEABRO CN(C[C@]1(O)CCCN(c2ccnc3ccncc32)C1)C(=O)CCC[NH+]1CCCC1 ZINC000257208129 568778582 /nfs/dbraw/zinc/77/85/82/568778582.db2.gz BKWUUQXULINEPM-HSZRJFAPSA-N 1 0 411.550 2.296 40 0 HEABRO CC1CC[NH+](CCC(=O)N2CCO[C@H](c3ncncc3-c3ccnc(N)c3)C2)CC1 ZINC000257235509 568786375 /nfs/dbraw/zinc/78/63/75/568786375.db2.gz GYDYSBORZLBUMC-IBGZPJMESA-N 1 0 410.522 2.143 40 0 HEABRO O=C(NC[C@@]1(O)CCCN(c2cnccn2)C1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000257236642 568786721 /nfs/dbraw/zinc/78/67/21/568786721.db2.gz HDAYSHJHOBIQIR-QHCPKHFHSA-N 1 0 409.534 2.224 40 0 HEABRO O=C(CCCNc1ncccn1)N1CCC[C@@](O)(C[NH+]2CCC(F)(F)CC2)CC1 ZINC000257297625 568803809 /nfs/dbraw/zinc/80/38/09/568803809.db2.gz RIECRMCLKGCMDK-IBGZPJMESA-N 1 0 411.497 2.143 40 0 HEABRO Cc1cc(N2CCC[C@](O)(CN(C)C(=O)c3ccc(C[NH+]4CCCC4)cc3)C2)ncn1 ZINC000257324497 568811674 /nfs/dbraw/zinc/81/16/74/568811674.db2.gz WOXVWHIAAAEVMA-DEOSSOPVSA-N 1 0 423.561 2.484 40 0 HEABRO Cc1cc(N2CCC[C@](O)(CNC(=O)c3ccc(C[NH+]4CCCC4)cc3)C2)ncn1 ZINC000257343857 568817149 /nfs/dbraw/zinc/81/71/49/568817149.db2.gz ZURHEPGJPQDSNY-QHCPKHFHSA-N 1 0 409.534 2.142 40 0 HEABRO CN(C)c1cc(CN(C)S(=O)(=O)CCCc2ccccc2)nc([C@@H]2CCC[NH2+]2)n1 ZINC000019760129 568870566 /nfs/dbraw/zinc/87/05/66/568870566.db2.gz CXHNGVZUZCZJNN-IBGZPJMESA-N 1 0 417.579 2.362 40 0 HEABRO CNc1cc(C[NH2+]C)nc([C@@H]2CCCN2S(=O)(=O)c2cc(C)c(OC)cc2C)n1 ZINC000019760611 568871105 /nfs/dbraw/zinc/87/11/05/568871105.db2.gz QFXVNNWXIUQIDS-INIZCTEOSA-N 1 0 419.551 2.389 40 0 HEABRO O=C1N(Cc2ccncc2)CCO[C@]12C[N@H+](Cc1ccncc1)C[C@H]2c1cccnc1 ZINC000306123034 568886195 /nfs/dbraw/zinc/88/61/95/568886195.db2.gz ACWVAYMRIVOQMH-UPVQGACJSA-N 1 0 415.497 2.269 40 0 HEABRO O=C(c1ccsc1)N1CCN(C2=NO[C@H]3CC[N@H+](Cc4ccco4)C[C@H]23)CC1 ZINC000306126658 568889479 /nfs/dbraw/zinc/88/94/79/568889479.db2.gz FBEQLFAISQOJGI-ROUUACIJSA-N 1 0 400.504 2.333 40 0 HEABRO O=C(c1ccsc1)N1CCN(C2=NO[C@@H]3CC[N@H+](Cc4ccco4)C[C@H]23)CC1 ZINC000306126659 568889572 /nfs/dbraw/zinc/88/95/72/568889572.db2.gz FBEQLFAISQOJGI-ZWKOTPCHSA-N 1 0 400.504 2.333 40 0 HEABRO Cc1ccc(C[N@@H+]2CC[C@]3(Cc4nn(Cc5ccccc5)c(=O)c(=O)n4C3)C2)s1 ZINC000306128588 568891353 /nfs/dbraw/zinc/89/13/53/568891353.db2.gz HFPZJKNXNRECBV-QFIPXVFZSA-N 1 0 408.527 2.272 40 0 HEABRO O=C1N(CC2CC2)CCO[C@]12C[N@H+](Cc1ccc3c(c1)OCO3)C[C@@H]2c1cccnc1 ZINC000306130080 568892572 /nfs/dbraw/zinc/89/25/72/568892572.db2.gz IVVUCJFNOPQVCL-YKSBVNFPSA-N 1 0 421.497 2.417 40 0 HEABRO O=c1c(=O)n2c(nn1CC1CCCCC1)CO[C@]1(CC[N@H+](Cc3ccsc3)C1)C2 ZINC000306132961 568895131 /nfs/dbraw/zinc/89/51/31/568895131.db2.gz LXPDAFYZVZBHSF-NRFANRHFSA-N 1 0 416.547 2.222 40 0 HEABRO C[NH+](C)CCN1Cc2cnnn2-c2ccc(-c3ccccc3F)cc2S1(=O)=O ZINC000306135146 568896975 /nfs/dbraw/zinc/89/69/75/568896975.db2.gz OJDHMRSCLLWMFE-UHFFFAOYSA-N 1 0 401.467 2.139 40 0 HEABRO CCn1cc(C[N@@H+]2C[C@@H]3Cn4c(nnc4C(=O)Nc4ccc(OC)cc4)C[C@@H]3C2)cn1 ZINC000306141001 568902791 /nfs/dbraw/zinc/90/27/91/568902791.db2.gz VIOAYHMBZPQWRT-IAGOWNOFSA-N 1 0 421.505 2.060 40 0 HEABRO COc1ncccc1C[N@@H+]1C[C@@H](c2ccnn2C)[C@]2(C1)CCCN(CC1CC1)C2=O ZINC000306141303 568902954 /nfs/dbraw/zinc/90/29/54/568902954.db2.gz VRDXBTZDIDCGSQ-WMZHIEFXSA-N 1 0 409.534 2.442 40 0 HEABRO O=C(c1ccc(C(F)(F)F)cc1)N1CCN(c2cn[nH+]c(N3CCOCC3)c2)CC1 ZINC000224328899 569057407 /nfs/dbraw/zinc/05/74/07/569057407.db2.gz NDDUXYNJJWZTAV-UHFFFAOYSA-N 1 0 421.423 2.294 40 0 HEABRO O=C(Nc1ccc(Cl)cc1)N1CCN(c2cn[nH+]c(N3CCOCC3)c2)CC1 ZINC000224330670 569058552 /nfs/dbraw/zinc/05/85/52/569058552.db2.gz GKGNROSMPLPTME-UHFFFAOYSA-N 1 0 402.886 2.321 40 0 HEABRO C[C@H](C(=O)NCCC[NH+]1CCCCC1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000010279246 569343170 /nfs/dbraw/zinc/34/31/70/569343170.db2.gz NYCZWWHUNDGUBQ-OAHLLOKOSA-N 1 0 401.960 2.487 40 0 HEABRO CCCO[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](c3cc(=O)n4c(n3)CCCCC4)C2)C1 ZINC000019503768 569345694 /nfs/dbraw/zinc/34/56/94/569345694.db2.gz QLUOKWVKBBPIPS-RTBURBONSA-N 1 0 416.566 2.177 40 0 HEABRO CCC[NH+]1CCC2(CC1)NC(=O)N(C1CCN(C(=O)c3cccc(F)c3)CC1)C2=O ZINC000019699346 569346975 /nfs/dbraw/zinc/34/69/75/569346975.db2.gz PKAOQNSXPGHZHZ-UHFFFAOYSA-N 1 0 416.497 2.227 40 0 HEABRO CCCC(=O)N1CCC[C@@H](N2C(=O)NC3(CC[NH+](Cc4ccccc4)CC3)C2=O)C1 ZINC000019699393 569346985 /nfs/dbraw/zinc/34/69/85/569346985.db2.gz RPVNQTLOXDWJGS-LJQANCHMSA-N 1 0 412.534 2.364 40 0 HEABRO CC[NH+]1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)c3ccc(C)s3)C1)C2=O ZINC000019699797 569347027 /nfs/dbraw/zinc/34/70/27/569347027.db2.gz RFFBJERQXQELTI-HNNXBMFYSA-N 1 0 404.536 2.067 40 0 HEABRO CC(C)C[NH+]1CCC2(CC1)NC(=O)N(C1CCN(C(=O)C3CCCC3)CC1)C2=O ZINC000019701352 569347292 /nfs/dbraw/zinc/34/72/92/569347292.db2.gz HQSWPUSRHAHXGJ-UHFFFAOYSA-N 1 0 404.555 2.210 40 0 HEABRO COc1ccccc1CNC(=O)c1cc([C@@H]2CC[N@H+](Cc3cn(C)nc3C)C2)n[nH]1 ZINC000019707683 569347987 /nfs/dbraw/zinc/34/79/87/569347987.db2.gz AUIGPGQQVACMCF-QGZVFWFLSA-N 1 0 408.506 2.380 40 0 HEABRO C[NH+](C)CCNc1nc(NNc2ccc(N[SH](=O)=O)cc2)cc(C(F)(F)F)n1 ZINC000329048416 571304652 /nfs/dbraw/zinc/30/46/52/571304652.db2.gz UKBDYXDEBGQRBG-UHFFFAOYSA-N 1 0 419.433 2.677 40 0 HEABRO CC(=O)N1CCN(C(=O)C[C@@H]2CC[NH2+]C[C@@H]2Cc2cc(-c3ccccc3)on2)CC1 ZINC000008623567 291202861 /nfs/dbraw/zinc/20/28/61/291202861.db2.gz RUANOTQGBCRNAC-PMACEKPBSA-N 1 0 410.518 2.191 40 0 biogenic,in-vitro HEABRO CC(=O)N1CCC([NH2+]C2(Cc3cc(CN(C)Cc4ccccc4)on3)COC2)CC1 ZINC000067898092 291202665 /nfs/dbraw/zinc/20/26/65/291202665.db2.gz DXTXISARVACZQX-UHFFFAOYSA-N 1 0 412.534 2.219 40 0 biogenic,in-vitro HEABRO CN(C)S(=O)(=O)c1cccc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000032461909 521995857 /nfs/dbraw/zinc/99/58/57/521995857.db2.gz LZSGVLUNRQCBIR-UHFFFAOYSA-N 1 0 401.532 2.463 40 0 HEABRO CN1C(=O)N(C)C2(CC[NH+](C[C@@H](CC3OCCO3)c3ccc(F)cc3)CC2)C1=O ZINC000006375623 557700551 /nfs/dbraw/zinc/70/05/51/557700551.db2.gz ANOMMQAZHCWMRH-MRXNPFEDSA-N 1 0 405.470 2.031 40 0 HEABRO COc1ccc(NC(=O)c2cnc([C@@H]3CCN(C(=O)C[NH+]4CCCC4)C3)nc2C)cc1 ZINC000019766240 558278558 /nfs/dbraw/zinc/27/85/58/558278558.db2.gz ABTYAUZFKDVOHZ-QGZVFWFLSA-N 1 0 423.517 2.458 40 0 HEABRO COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCCC[NH+]1CCCC1 ZINC000013646545 558556837 /nfs/dbraw/zinc/55/68/37/558556837.db2.gz IQMYVECMGRSAQR-UHFFFAOYSA-N 1 0 423.579 2.476 40 0 HEABRO CCOc1ccc(S(=O)(=O)N(CC(=O)NCC[NH+](C)C)c2ccc(F)cc2)cc1 ZINC000013673556 558563348 /nfs/dbraw/zinc/56/33/48/558563348.db2.gz GLNBTONXJUQDRW-UHFFFAOYSA-N 1 0 423.510 2.098 40 0 HEABRO CC1CC[NH+](CCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)CC1 ZINC000028069379 558690646 /nfs/dbraw/zinc/69/06/46/558690646.db2.gz CBHAAWVJORSPNR-QGZVFWFLSA-N 1 0 413.609 2.387 40 0 HEABRO Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000030851026 558740008 /nfs/dbraw/zinc/74/00/08/558740008.db2.gz WDYUHERABIADMG-UHFFFAOYSA-N 1 0 407.580 2.139 40 0 HEABRO COc1ccc2c(c1)c(C[NH+]1CCC(N3C[C@H](C)O[C@@H](C)C3)CC1)cn2CC(N)=O ZINC000036741488 558802274 /nfs/dbraw/zinc/80/22/74/558802274.db2.gz FBQLRYYVPBUBAT-IRXDYDNUSA-N 1 0 414.550 2.209 40 0 HEABRO Cc1cc2nc([C@H]3CCC[N@@H+](Cc4ccc5c(c4)n(C)c(=O)n5C)C3)cc(N)n2n1 ZINC000019129294 558845239 /nfs/dbraw/zinc/84/52/39/558845239.db2.gz VBERPDPEQVIPLC-INIZCTEOSA-N 1 0 405.506 2.190 40 0 HEABRO O=C(c1cc[nH]n1)N1CCC[C@H](c2nc3c(c(=O)[nH]2)C[N@H+](Cc2cccs2)CC3)C1 ZINC000019343642 558872475 /nfs/dbraw/zinc/87/24/75/558872475.db2.gz KWZJPSVQCFBEQQ-AWEZNQCLSA-N 1 0 424.530 2.133 40 0 HEABRO O=C(CCn1cccn1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](C2CCCCC2)C3)C1 ZINC000019406085 558885074 /nfs/dbraw/zinc/88/50/74/558885074.db2.gz AZJGONYILZASJX-KRWDZBQOSA-N 1 0 424.549 2.063 40 0 HEABRO CC(C)[N@H+]1CCc2nc3cc(C(=O)N4CCCC[C@H]4CCO)ccc3c(=O)n2CC1 ZINC000019448603 558887301 /nfs/dbraw/zinc/88/73/01/558887301.db2.gz PRRXDRCZLBNZDZ-SFHVURJKSA-N 1 0 412.534 2.040 40 0 HEABRO CC1CCC(CNC(=O)c2cc(C3CC3)n([C@@H]3CCS(=O)(=O)C3)n2)([NH+](C)C)CC1 ZINC000019495941 558894720 /nfs/dbraw/zinc/89/47/20/558894720.db2.gz SQXXULBFSKPVHJ-FIWNRLKKSA-N 1 0 422.595 2.360 40 0 HEABRO COCCCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@]12CCc1ccccc1C(=O)N2 ZINC000072334406 558935672 /nfs/dbraw/zinc/93/56/72/558935672.db2.gz MFSUDRVPKCCBLO-WIOPSUGQSA-N 1 0 421.541 2.386 40 0 HEABRO CN1c2ncccc2C(=O)NC12CCN(C(=O)c1ccc(C[NH+]3CCCC3)o1)CC2 ZINC000019590906 558940846 /nfs/dbraw/zinc/94/08/46/558940846.db2.gz MGWVCBPOUOXUIZ-UHFFFAOYSA-N 1 0 409.490 2.083 40 0 HEABRO CC(C)(C[NH+]1CCCCC1)NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000019659947 558951286 /nfs/dbraw/zinc/95/12/86/558951286.db2.gz JSHVDAAASIVJDR-MRXNPFEDSA-N 1 0 401.507 2.191 40 0 HEABRO COc1ccccc1C[N@@H+]1CCc2nc([C@H]3CCN(C(=O)[C@H]4C[C@@H]4C)C3)[nH]c(=O)c2C1 ZINC000072399139 558976850 /nfs/dbraw/zinc/97/68/50/558976850.db2.gz UBJARVAUGANOPS-SZMVWBNQSA-N 1 0 422.529 2.309 40 0 HEABRO CC(C)Oc1ccc(C[NH+]2CCC3(CC2)NC(=O)N(C)C3=O)cc1Cn1ccnc1 ZINC000019715779 558976999 /nfs/dbraw/zinc/97/69/99/558976999.db2.gz VUTBNNXYLYZOOX-UHFFFAOYSA-N 1 0 411.506 2.235 40 0 HEABRO CN(C)c1ccc(CC(=O)N2CCC3(CO[C@H](C[N@@H+]4CCC[C@H]4CO)C3)CC2)cc1 ZINC000585103062 559026375 /nfs/dbraw/zinc/02/63/75/559026375.db2.gz BVRTUHCBJUQJPG-VXKWHMMOSA-N 1 0 415.578 2.150 40 0 HEABRO Cc1ccc(OCC(=O)N2CCC3(CO[C@@H](C[N@@H+]4CCC[C@H]4CO)C3)CC2)cc1 ZINC000585104922 559027460 /nfs/dbraw/zinc/02/74/60/559027460.db2.gz XGJRWUVEQBSTTK-PZJWPPBQSA-N 1 0 402.535 2.228 40 0 HEABRO Cc1ccc(OCC(=O)N2CCC3(CO[C@H](C[N@@H+]4CCC[C@H]4CO)C3)CC2)cc1 ZINC000585104920 559027547 /nfs/dbraw/zinc/02/75/47/559027547.db2.gz XGJRWUVEQBSTTK-FPOVZHCZSA-N 1 0 402.535 2.228 40 0 HEABRO COc1cccc(CNC(=O)[C@H]2Cn3ccnc3C3(CC[NH+](CC4CC4)CC3)O2)c1 ZINC000096036671 559090552 /nfs/dbraw/zinc/09/05/52/559090552.db2.gz RDFUPHWZRTXMEI-HXUWFJFHSA-N 1 0 410.518 2.308 40 0 HEABRO COc1ccc(C[NH+]2CCC3(CC2)O[C@@H](C(=O)N2CCCC2)Cn2ccnc23)cc1 ZINC000096036829 559090650 /nfs/dbraw/zinc/09/06/50/559090650.db2.gz QVSHZDCLVMGGHQ-HXUWFJFHSA-N 1 0 410.518 2.404 40 0 HEABRO CN(C)C(=O)[C@@]12CN(Cc3cnn(C)c3)C[C@@H]1C[N@H+](Cc1cccs1)CCC2 ZINC000096083058 559094934 /nfs/dbraw/zinc/09/49/34/559094934.db2.gz NOFYDVGHSAEEQG-RXVVDRJESA-N 1 0 401.580 2.284 40 0 HEABRO C[N@@H+]1CC[C@@]2(C(=O)Nc3cccnc3)CCN(S(=O)(=O)c3ccccc3)CC[C@@H]12 ZINC000096145291 559097231 /nfs/dbraw/zinc/09/72/31/559097231.db2.gz FMGDSJRVGMTVJD-TZIWHRDSSA-N 1 0 414.531 2.195 40 0 HEABRO COCCN(C)C(=O)c1ncn2c1nccc2C1CC[NH+](Cc2ccncc2)CC1 ZINC000096155738 559099895 /nfs/dbraw/zinc/09/98/95/559099895.db2.gz XASWMGQTAVCIMZ-UHFFFAOYSA-N 1 0 408.506 2.222 40 0 HEABRO CCN1CC[C@]2(C[N@H+](CCOC)CC23CCN(C(=O)c2ccsc2)CC3)C1=O ZINC000096262792 559106701 /nfs/dbraw/zinc/10/67/01/559106701.db2.gz TVAKIQMMKFIVLU-NRFANRHFSA-N 1 0 405.564 2.171 40 0 HEABRO Cn1c2cc(C(=O)N3CCC([NH+](C)C)CC3)n(S(C)(=O)=O)c2c2ccccc21 ZINC000096264148 559107451 /nfs/dbraw/zinc/10/74/51/559107451.db2.gz SXZHEKANQKEEMR-UHFFFAOYSA-N 1 0 402.520 2.107 40 0 HEABRO C[NH+]1CCN(c2ncnc3c2c(C(=O)NCCc2cccnc2)c2ccccn23)CC1 ZINC000096264417 559107548 /nfs/dbraw/zinc/10/75/48/559107548.db2.gz BBBRUXBGZUTACV-UHFFFAOYSA-N 1 0 415.501 2.002 40 0 HEABRO CCOCCOc1ccc(C[NH2+]C[C@]2(O)CCCN(c3cc(NC)ncn3)C2)cc1 ZINC000585270035 559116085 /nfs/dbraw/zinc/11/60/85/559116085.db2.gz CJAZMLCTIBGXSW-JOCHJYFZSA-N 1 0 415.538 2.055 40 0 HEABRO COc1ccc(OC[C@H](O)C[N@H+](C)Cc2cccc(CN3CCOCC3)c2)cc1 ZINC000585271730 559117695 /nfs/dbraw/zinc/11/76/95/559117695.db2.gz GWCVDQKYROFAOP-OAQYLSRUSA-N 1 0 400.519 2.399 40 0 HEABRO C[NH+](C)CCOc1ccc(CN2CCOC[C@@](O)(COc3cccc(F)c3)C2)cc1 ZINC000585271842 559117911 /nfs/dbraw/zinc/11/79/11/559117911.db2.gz KQZAEVXWXNAKMT-HSZRJFAPSA-N 1 0 418.509 2.408 40 0 HEABRO O=C(c1ccc(Cl)cc1)N1CC[C@H](O)[C@@](O)(C[NH2+]CCc2ccc(F)cc2)C1 ZINC000585284606 559121265 /nfs/dbraw/zinc/12/12/65/559121265.db2.gz MDMKHYXDMYGYRM-PZJWPPBQSA-N 1 0 406.885 2.249 40 0 HEABRO O=C(CCc1ccccc1)N1CC[C@](O)(C[NH2+]Cc2cccc(Cl)c2)[C@@H](O)C1 ZINC000585285028 559121462 /nfs/dbraw/zinc/12/14/62/559121462.db2.gz NFXHJZQARANCJX-UNMCSNQZSA-N 1 0 402.922 2.387 40 0 HEABRO O=C(NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCOCC2)CC1)c1ccncc1 ZINC000257209330 559282616 /nfs/dbraw/zinc/28/26/16/559282616.db2.gz BPYUPIVCBXSJFQ-WPFOTENUSA-N 1 0 409.530 2.385 40 0 HEABRO CC(C)CNC(=S)N(CC[NH+](C)C)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000004160478 560601385 /nfs/dbraw/zinc/60/13/85/560601385.db2.gz YTBOPFYVOUWAAY-UHFFFAOYSA-N 1 0 404.536 2.151 40 0 HEABRO CC[NH+](CC)CCCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=S)NC ZINC000004160491 560601478 /nfs/dbraw/zinc/60/14/78/560601478.db2.gz ZNOOWLMAPXMCMJ-UHFFFAOYSA-N 1 0 404.536 2.295 40 0 HEABRO CCNC(=S)N(CC[NH+](CC)CC)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000004160527 560601576 /nfs/dbraw/zinc/60/15/76/560601576.db2.gz CJNJXSQBQRYDRA-UHFFFAOYSA-N 1 0 418.563 2.338 40 0 HEABRO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)c2ccc3nsnc3c2)c1 ZINC000007388912 560750775 /nfs/dbraw/zinc/75/07/75/560750775.db2.gz HNBLTMBDGITBOP-UHFFFAOYSA-N 1 0 411.487 2.482 40 0 HEABRO CCOc1cc(C[NH2+]CCNC(=O)c2nonc2N)ccc1OCc1cccs1 ZINC000007523777 560751490 /nfs/dbraw/zinc/75/14/90/560751490.db2.gz WJAILHHUXXDHHL-UHFFFAOYSA-N 1 0 417.491 2.211 40 0 HEABRO CS(=O)(=O)N(CC(=O)NCCC[NH+]1CCCCC1)c1cccc(C(F)(F)F)c1 ZINC000010277982 560766470 /nfs/dbraw/zinc/76/64/70/560766470.db2.gz WGFGSQWVCYKDEV-UHFFFAOYSA-N 1 0 421.485 2.464 40 0 HEABRO COc1ccc(N([C@H](C)C(=O)NCCC[NH+]2CCCC2)S(C)(=O)=O)cc1Cl ZINC000010450176 560769741 /nfs/dbraw/zinc/76/97/41/560769741.db2.gz OOMFYXDAWNSQDV-CQSZACIVSA-N 1 0 417.959 2.105 40 0 HEABRO CC1CC[NH+](CCCNC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)CC1 ZINC000010540542 560769864 /nfs/dbraw/zinc/76/98/64/560769864.db2.gz KJVFYTCZWVNQMD-UHFFFAOYSA-N 1 0 401.960 2.344 40 0 HEABRO CC[NH+]1CCN([C@@H](c2nnnn2Cc2ccccc2)c2ccc(OC)c(OC)c2)CC1 ZINC000019527985 560874724 /nfs/dbraw/zinc/87/47/24/560874724.db2.gz ZYAZLKMYJJMDQB-JOCHJYFZSA-N 1 0 422.533 2.466 40 0 HEABRO CC[NH+]1CCN([C@@H](c2nnnn2C(C)(C)C)c2cc3cc(C)ccc3[nH]c2=O)CC1 ZINC000019527931 560874749 /nfs/dbraw/zinc/87/47/49/560874749.db2.gz GHEVQZAESYHLBB-LJQANCHMSA-N 1 0 409.538 2.305 40 0 HEABRO COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCC[NH+](C)C)cc1OC ZINC000223057988 568536001 /nfs/dbraw/zinc/53/60/01/568536001.db2.gz CMWBCORPMHWSDY-VKAVYKQESA-N 1 0 401.463 2.136 40 0 HEABRO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)c(C)n1-n1cnnc1 ZINC000223216511 568541270 /nfs/dbraw/zinc/54/12/70/568541270.db2.gz ZRGQKNZLGCLANF-UXHICEINSA-N 1 0 424.578 2.327 40 0 HEABRO COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000223839638 568560464 /nfs/dbraw/zinc/56/04/64/568560464.db2.gz VNKKIIKLPLEQGV-UHFFFAOYSA-N 1 0 403.504 2.334 40 0 HEABRO CC[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000225086590 568613169 /nfs/dbraw/zinc/61/31/69/568613169.db2.gz HFEPVXAJTUEBOJ-MRXNPFEDSA-N 1 0 407.536 2.273 40 0 HEABRO CSc1ccc(S(=O)(=O)N(C)CC(=O)NCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000225870536 568682340 /nfs/dbraw/zinc/68/23/40/568682340.db2.gz IWVBEROEOLOHHE-MRXNPFEDSA-N 1 0 413.609 2.267 40 0 HEABRO COC[C@@H](C)NC(=O)C[NH+]1CCC2(CC1)CC=CCN(CCc1ccccc1)C2=O ZINC000257203581 568777163 /nfs/dbraw/zinc/77/71/63/568777163.db2.gz AQTFBNWFDYYVGX-HXUWFJFHSA-N 1 0 413.562 2.251 40 0 HEABRO Cc1cc(NC(=O)C[N@@H+]2[C@H](Cc3ccccc3)C[C@]3(C)NC(=O)CCC[C@H]23)nn1C ZINC000257222538 568782698 /nfs/dbraw/zinc/78/26/98/568782698.db2.gz DTRJXFDSDXNDPM-MSYCTHLASA-N 1 0 409.534 2.411 40 0 HEABRO COc1ccc(CCNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2c2ccc(CNC(C)=O)cc2)cc1 ZINC000257261023 568793135 /nfs/dbraw/zinc/79/31/35/568793135.db2.gz LFLMWHWCPKWNEF-DHIUTWEWSA-N 1 0 409.530 2.335 40 0 HEABRO 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 568794362 /nfs/dbraw/zinc/79/43/62/568794362.db2.gz MAUDRBBAAXNZQU-IEEQIXEPSA-N 1 0 415.578 2.164 40 0 HEABRO CS(=O)(=O)NCC(=O)N1CC[C@@H]2[C@H](C1)CCCC[N@@H+]2Cc1ccc(Cl)cc1 ZINC000257304832 568805948 /nfs/dbraw/zinc/80/59/48/568805948.db2.gz SNIWJKNBNCJNAB-FUHWJXTLSA-N 1 0 413.971 2.092 40 0 HEABRO CNc1nc([C@@H]2CCN(S(=O)(=O)c3ccc(C)c(C)c3)C2)nc2c1CCN(C)C2 ZINC000257317321 568809352 /nfs/dbraw/zinc/80/93/52/568809352.db2.gz VJHPHEQHIVKZQA-MRXNPFEDSA-N 1 0 415.563 2.301 40 0 HEABRO COc1ccc(C[N@H+](C)C[C@@]2(O)CCCN(C(=O)c3n[nH]c4c3CCC4)CC2)cc1 ZINC000257322841 568811305 /nfs/dbraw/zinc/81/13/05/568811305.db2.gz WHPUODMNTKOGNH-HSZRJFAPSA-N 1 0 412.534 2.396 40 0 HEABRO Cc1cc(C(=O)N2CCC3(CC2)C[C@H]([NH+](C)C)[C@@](C)(O)CO3)nn1-c1ccccc1 ZINC000257339439 568815751 /nfs/dbraw/zinc/81/57/51/568815751.db2.gz ZBSXQYLZPNXQKG-UNMCSNQZSA-N 1 0 412.534 2.257 40 0 HEABRO CCCNC(=O)c1nnc2n1CC1(CC[NH+](Cc3ccc(OC)cc3)CC1)COC2 ZINC000306127131 568890101 /nfs/dbraw/zinc/89/01/01/568890101.db2.gz FPFCJFVRXFPVCO-UHFFFAOYSA-N 1 0 413.522 2.239 40 0 HEABRO O=C1N(CC2CC2)CCO[C@@]12C[N@H+](Cc1ccc3c(c1)OCO3)C[C@H]2c1cccnc1 ZINC000306130077 568892562 /nfs/dbraw/zinc/89/25/62/568892562.db2.gz IVVUCJFNOPQVCL-GBXCKJPGSA-N 1 0 421.497 2.417 40 0 HEABRO Cc1cccc(C[N@@H+]2CC[C@]3(CCn4c3nn(Cc3cccs3)c(=O)c4=O)C2)c1 ZINC000306131185 568893440 /nfs/dbraw/zinc/89/34/40/568893440.db2.gz JYHGPNXXILFMOC-QFIPXVFZSA-N 1 0 408.527 2.371 40 0 HEABRO Cc1ccc(CNC(=O)[C@@H]2C[N@@H+](C)CC3(CCN(C(=O)c4ccco4)CC3)O2)cc1 ZINC000306131989 568894217 /nfs/dbraw/zinc/89/42/17/568894217.db2.gz KVAYWQWMTYCDBZ-FQEVSTJZSA-N 1 0 411.502 2.210 40 0 HEABRO Cn1cc(C[N@@H+]2C[C@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccccc2)C3=O)cn1 ZINC000306133912 568895770 /nfs/dbraw/zinc/89/57/70/568895770.db2.gz MZDQKQLFWHTJCB-ISKFKSNPSA-N 1 0 417.513 2.212 40 0 HEABRO COc1ncccc1C[N@H+]1C[C@@H]2Cc3nnc(C(=O)Nc4cccc(F)c4)n3C[C@H]2C1 ZINC000306134118 568896021 /nfs/dbraw/zinc/89/60/21/568896021.db2.gz NDVMTIMHTZSRTC-JKSUJKDBSA-N 1 0 422.464 2.377 40 0 HEABRO COc1ncccc1C[N@H+]1C[C@@H]2Cc3nnc(C(=O)Nc4ccccc4)n3C[C@@H]2C1 ZINC000306134895 568896801 /nfs/dbraw/zinc/89/68/01/568896801.db2.gz OAXNZVPTDXQVMK-IRXDYDNUSA-N 1 0 404.474 2.238 40 0 HEABRO O=C1N(Cc2ccncc2)CCO[C@@]12C[N@H+](Cc1cccnc1)C[C@H]2c1cccnc1 ZINC000306138946 568900854 /nfs/dbraw/zinc/90/08/54/568900854.db2.gz SLIWMGSEEOHSOD-LADGPHEKSA-N 1 0 415.497 2.269 40 0 HEABRO CC[C@@H](C)NC(=O)c1nnc2n1CC1(CC[NH+](Cc3cccc(C)n3)CC1)COC2 ZINC000306139219 568901193 /nfs/dbraw/zinc/90/11/93/568901193.db2.gz SSILMBNLNWNLPM-MRXNPFEDSA-N 1 0 412.538 2.322 40 0 HEABRO Cc1ccc(SCC(=O)N2CCC3(C[C@H](CN4CC[NH+](C)CC4)O3)CC2)cc1 ZINC000306142778 568904384 /nfs/dbraw/zinc/90/43/84/568904384.db2.gz XJRWYCWOZYQNQZ-LJQANCHMSA-N 1 0 403.592 2.485 40 0 HEABRO CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)cc1)[NH2+][C@]21C(=O)Nc2ccccc21 ZINC000016025133 569026262 /nfs/dbraw/zinc/02/62/62/569026262.db2.gz LRBIMRVFMWSMMB-KOHOOESMSA-N 1 0 419.481 2.154 40 0 HEABRO CC[NH+](CC)CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000575425593 569026915 /nfs/dbraw/zinc/02/69/15/569026915.db2.gz TYYBGEYNCHYUPP-INIZCTEOSA-N 1 0 423.000 2.250 40 0 HEABRO CC[NH+](CC)CC(=O)N1CCC(c2nc(-c3ccc(OC)cc3)c(C(N)=O)[nH]2)CC1 ZINC000019696945 569346786 /nfs/dbraw/zinc/34/67/86/569346786.db2.gz WDSMEDRYKIBUDP-UHFFFAOYSA-N 1 0 413.522 2.232 40 0 HEABRO O=C(C1CC1)N1CCC(N2C(=O)NC3(CC[NH+](CCc4ccccc4)CC3)C2=O)CC1 ZINC000019699300 569346989 /nfs/dbraw/zinc/34/69/89/569346989.db2.gz OLUQIBONUNJTHZ-UHFFFAOYSA-N 1 0 424.545 2.017 40 0 HEABRO CC[NH+]1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)CCc3ccccc3)C1)C2=O ZINC000019699913 569347099 /nfs/dbraw/zinc/34/70/99/569347099.db2.gz GGWOQYZYCLOOSP-IBGZPJMESA-N 1 0 412.534 2.017 40 0 HEABRO O=C(C1CC1)N1CCC[C@H](N2C(=O)NC3(CC[NH+](CCc4ccccc4)CC3)C2=O)C1 ZINC000019699969 569347118 /nfs/dbraw/zinc/34/71/18/569347118.db2.gz FZYMFGZSHVVHBM-FQEVSTJZSA-N 1 0 424.545 2.017 40 0 HEABRO Cc1nc([C@H]2CCCCN2C(=O)C[NH+](C)C)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019764907 527072743 /nfs/dbraw/zinc/07/27/43/527072743.db2.gz LKGIMGWMPXLLGI-LJQANCHMSA-N 1 0 413.497 2.469 40 0 HEABRO Cc1cc(Cl)ccc1N(CC(=O)NCCC[NH+]1CCCCC1)S(C)(=O)=O ZINC000010278027 557858153 /nfs/dbraw/zinc/85/81/53/557858153.db2.gz NAQBJAOTZUEWRF-UHFFFAOYSA-N 1 0 401.960 2.407 40 0 HEABRO CC1CC[NH+](CCNC(=O)Cn2cc(C(=O)Nc3ccc(F)cc3)ccc2=O)CC1 ZINC000019751519 558271490 /nfs/dbraw/zinc/27/14/90/558271490.db2.gz IQPZEOGUPPMPJI-UHFFFAOYSA-N 1 0 414.481 2.088 40 0 HEABRO Cc1nn(CC(=O)NCCC[N@H+]2CCCC[C@@H]2C)c(=O)c2cc3sccc3n21 ZINC000012115271 558327742 /nfs/dbraw/zinc/32/77/42/558327742.db2.gz YVLWPJNIEUUMCR-AWEZNQCLSA-N 1 0 401.536 2.400 40 0 HEABRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)C1 ZINC000020244479 558351011 /nfs/dbraw/zinc/35/10/11/558351011.db2.gz OSSLXEQKYNGJCP-IRXDYDNUSA-N 1 0 410.584 2.027 40 0 HEABRO COc1ccc(C)cc1N(CC(=O)NCCC[NH+](C)C)S(=O)(=O)c1ccccc1 ZINC000013632302 558552530 /nfs/dbraw/zinc/55/25/30/558552530.db2.gz JQSJIDWABKSREK-UHFFFAOYSA-N 1 0 419.547 2.267 40 0 HEABRO O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)NCCC[NH+]1CCCC1 ZINC000013649172 558557910 /nfs/dbraw/zinc/55/79/10/558557910.db2.gz RMMZDQAUWNJPOD-UHFFFAOYSA-N 1 0 401.532 2.484 40 0 HEABRO O=C([C@@H]1CCOC1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@H+](CC1CCCCC1)CC2 ZINC000019014805 558837027 /nfs/dbraw/zinc/83/70/27/558837027.db2.gz BEXGEKOKCRXIII-XLIONFOSSA-N 1 0 414.550 2.408 40 0 HEABRO O=C(c1cc[nH]n1)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)C[N@H+](Cc2cccs2)CC3)C1 ZINC000019343639 558872462 /nfs/dbraw/zinc/87/24/62/558872462.db2.gz KWZJPSVQCFBEQQ-CQSZACIVSA-N 1 0 424.530 2.133 40 0 HEABRO CC(C)[N@@H+]1CCc2c(=O)[nH]c([C@@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)nc2C1 ZINC000019448425 558887452 /nfs/dbraw/zinc/88/74/52/558887452.db2.gz ZATVJMHFWNYZKA-SFHVURJKSA-N 1 0 420.510 2.201 40 0 HEABRO Cc1cccc(C[N@@H+]2C[C@@H](C(=O)NC(C)(C)C)[C@]3(C2)Cc2ccccc2C(=O)N3)n1 ZINC000072334511 558935599 /nfs/dbraw/zinc/93/55/99/558935599.db2.gz ONJNUKYYNDFKFC-GBXCKJPGSA-N 1 0 406.530 2.461 40 0 HEABRO C[NH+]1CCC(N(C[C@H]2CCCO2)S(=O)(=O)c2ccc3oc(=O)ccc3c2)CC1 ZINC000019588123 558940141 /nfs/dbraw/zinc/94/01/41/558940141.db2.gz CZZQMHMYAIKYKW-QGZVFWFLSA-N 1 0 406.504 2.057 40 0 HEABRO C[N@@H+]1CCc2nc([C@H]3CCCN(C(=O)COc4cccc(F)c4)C3)[nH]c(=O)c2C1 ZINC000019590246 558940902 /nfs/dbraw/zinc/94/09/02/558940902.db2.gz GSQZYCWWFSZOBN-AWEZNQCLSA-N 1 0 400.454 2.094 40 0 HEABRO CNc1ncccc1C[N@@H+]1C[C@@H](c2ccc(F)c(F)c2)[C@]2(C1)COCCC(=O)N2 ZINC000019592065 558942836 /nfs/dbraw/zinc/94/28/36/558942836.db2.gz ISBLURHAWFQDER-KKSFZXQISA-N 1 0 402.445 2.276 40 0 HEABRO CC(C)(C[NH+]1CCCCC1)NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000019659945 558951241 /nfs/dbraw/zinc/95/12/41/558951241.db2.gz JSHVDAAASIVJDR-INIZCTEOSA-N 1 0 401.507 2.191 40 0 HEABRO NC(=O)[C@H]1CCCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C(=O)c2ccccc2)C1 ZINC000072373042 558960820 /nfs/dbraw/zinc/96/08/20/558960820.db2.gz HKCULRPHOXOPES-FKBYEOEOSA-N 1 0 419.525 2.341 40 0 HEABRO CC(C)[NH+]1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)C3CCCCC3)C1)C2=O ZINC000019699843 558966797 /nfs/dbraw/zinc/96/67/97/558966797.db2.gz IKEXUYGDBBLLMI-SFHVURJKSA-N 1 0 404.555 2.353 40 0 HEABRO CN(C)c1cc([C@H]2CCC[NH2+]C2)nc(CN(C)C(=O)c2ccc3c(c2)OCCO3)n1 ZINC000019710100 558971851 /nfs/dbraw/zinc/97/18/51/558971851.db2.gz QOXVVQSBXPPRJS-INIZCTEOSA-N 1 0 411.506 2.053 40 0 HEABRO CCN1C(=O)c2ccccc2C(=O)[C@@]2(C)CN(C(=O)[C@H]([NH3+])Cc3ccccc3)C[C@@H]12 ZINC000072395497 558974245 /nfs/dbraw/zinc/97/42/45/558974245.db2.gz WLDWUZRZHWYURE-REHUZNOOSA-N 1 0 405.498 2.132 40 0 HEABRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000019717106 558979600 /nfs/dbraw/zinc/97/96/00/558979600.db2.gz YRLZMAKTPGJMOM-QFIPXVFZSA-N 1 0 412.509 2.375 40 0 HEABRO CN(C)c1ccc(CC(=O)N2CCC3(CO[C@@H](C[N@@H+]4CCC[C@@H](O)C4)C3)CC2)cc1 ZINC000585104577 559027154 /nfs/dbraw/zinc/02/71/54/559027154.db2.gz QNZZBFPVQGNVDE-FGZHOGPDSA-N 1 0 415.578 2.150 40 0 HEABRO C[N@H+](C[C@@H]1CC2(CO1)CCN(S(=O)(=O)c1ccccc1)CC2)[C@H]1CC[C@H](O)CC1 ZINC000585105114 559027614 /nfs/dbraw/zinc/02/76/14/559027614.db2.gz YLFMBDDSFLXPSI-UFYCRDLUSA-N 1 0 422.591 2.482 40 0 HEABRO Cc1ccccc1S(=O)(=O)N1CCC2(CO[C@H](C[N@H+]3CC[C@@H](C)[C@H](O)C3)C2)CC1 ZINC000585105142 559027618 /nfs/dbraw/zinc/02/76/18/559027618.db2.gz ZENGROIAWKRIJP-YZGWKJHDSA-N 1 0 422.591 2.258 40 0 HEABRO O=C(COc1ccccc1)N1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](CC3CCCC3)C[C@@H]12 ZINC000585106300 559028729 /nfs/dbraw/zinc/02/87/29/559028729.db2.gz PGMBWCJFQKIKSW-RTWAWAEBSA-N 1 0 411.546 2.295 40 0 HEABRO COCC[N@@H+]1CC2(CCN(C(=O)Nc3ccc(C)cc3)CC2)[C@@]2(CCN(C)C2=O)C1 ZINC000096144264 559096483 /nfs/dbraw/zinc/09/64/83/559096483.db2.gz VSLAMWAFRAMUQS-QHCPKHFHSA-N 1 0 414.550 2.420 40 0 HEABRO CN1CCN(C(=O)c2ncn3c2nccc3C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000096155686 559099849 /nfs/dbraw/zinc/09/98/49/559099849.db2.gz VQDGTNVMTFNTCU-UHFFFAOYSA-N 1 0 418.545 2.497 40 0 HEABRO COCC[N@H+](C)C[C@@H]1CO[C@]2(C1)CCCN(C(=O)c1nn(C)c3ccccc31)C2 ZINC000096228490 559102691 /nfs/dbraw/zinc/10/26/91/559102691.db2.gz RKVOSAMHVZNAQF-VGSWGCGISA-N 1 0 400.523 2.163 40 0 HEABRO OCCOc1ccc(C[N@@H+]2C[C@H](O)[C@@H](Oc3cccc(Br)c3)C2)cc1 ZINC000585267876 559112929 /nfs/dbraw/zinc/11/29/29/559112929.db2.gz MIXCTNQIENKNJH-OALUTQOASA-N 1 0 408.292 2.444 40 0 HEABRO COc1ccccc1C[N@H+](C)C[C@@]1(O)CCN(C(=O)c2ccc(Cl)cc2)C[C@@H]1O ZINC000585283143 559120448 /nfs/dbraw/zinc/12/04/48/559120448.db2.gz CJHICDPJHODNPZ-UNMCSNQZSA-N 1 0 418.921 2.419 40 0 HEABRO O=C(CCc1ccccc1)N1C[C@@H](O)[C@](O)(C[NH2+]CCc2ccccc2Cl)C1 ZINC000585289826 559122540 /nfs/dbraw/zinc/12/25/40/559122540.db2.gz KIKYUICYMRHYSI-IRLDBZIGSA-N 1 0 402.922 2.039 40 0 HEABRO CCN1CC[C@@]2(CN(c3ncccn3)CC23CC[NH+](Cc2ccccn2)CC3)C1=O ZINC000097952898 559125085 /nfs/dbraw/zinc/12/50/85/559125085.db2.gz KATMOPPWBVBNTD-HSZRJFAPSA-N 1 0 406.534 2.213 40 0 HEABRO CCOCCOc1ccc(C[N@H+](C)C[C@@]2(O)CCN(c3cc(C)ncn3)C2)cc1 ZINC000257333248 559283298 /nfs/dbraw/zinc/28/32/98/559283298.db2.gz YAVGPLOIAOSBTE-QFIPXVFZSA-N 1 0 400.523 2.274 40 0 HEABRO CCOCCOc1ccc(C[N@H+](C)C[C@]2(O)CCN(c3cc(C)ncn3)C2)cc1 ZINC000257333247 559283306 /nfs/dbraw/zinc/28/33/06/559283306.db2.gz YAVGPLOIAOSBTE-JOCHJYFZSA-N 1 0 400.523 2.274 40 0 HEABRO Cc1cc(C)c2cc(CN(CCCO)C(=S)NCCC[NH+](C)C)c(=O)[nH]c2c1 ZINC000004132467 560599964 /nfs/dbraw/zinc/59/99/64/560599964.db2.gz MAWSQJFXGWOLLR-UHFFFAOYSA-N 1 0 404.580 2.156 40 0 HEABRO Cc1ccc2[nH]c(=O)c(CN(CC[NH+](C)C)C(=S)NC[C@@H]3CCCO3)cc2c1 ZINC000004133415 560600412 /nfs/dbraw/zinc/60/04/12/560600412.db2.gz HMEFVVQJAMTBEX-SFHVURJKSA-N 1 0 402.564 2.254 40 0 HEABRO COc1ccc(N([C@@H](C)C(=O)NCCC[NH+]2CCCCCC2)S(C)(=O)=O)cc1 ZINC000010111179 560763734 /nfs/dbraw/zinc/76/37/34/560763734.db2.gz HSUXRENZOOUNTJ-KRWDZBQOSA-N 1 0 411.568 2.232 40 0 HEABRO CC[NH+]1CCN([C@@H](c2nnnn2Cc2ccc3c(c2)OCO3)c2ccccc2)CC1 ZINC000019528063 560874669 /nfs/dbraw/zinc/87/46/69/560874669.db2.gz MEAANEKLVHGUIE-OAQYLSRUSA-N 1 0 406.490 2.177 40 0 HEABRO COc1cccc(C(=O)N2C[C@@H]3COCCN3C3(C[NH+](CCC(C)(C)C)C3)C2)c1 ZINC000604382671 568489557 /nfs/dbraw/zinc/48/95/57/568489557.db2.gz YMCGTERMXPGRRN-LJQANCHMSA-N 1 0 401.551 2.342 40 0 biogenic,in-vitro HEABRO CS(=O)(=O)N(CC(=O)NCCC[NH+]1CCCCCC1)Cc1ccccc1Cl ZINC000222987737 568533357 /nfs/dbraw/zinc/53/33/57/568533357.db2.gz KAYDAOBNOKXCCY-UHFFFAOYSA-N 1 0 415.987 2.484 40 0 HEABRO Nc1nc(CCC(=O)N2CCC[C@@](O)(C[N@@H+]3CCc4ccccc4C3)CC2)cs1 ZINC000257225993 568783667 /nfs/dbraw/zinc/78/36/67/568783667.db2.gz FIRUYBLWXBAEIR-QFIPXVFZSA-N 1 0 414.575 2.460 40 0 HEABRO [NH3+]CCCOc1cccc(C(=O)N2C[C@@H](O)[C@@H](Cc3ccnc4cccnc34)C2)c1 ZINC000257241877 568788164 /nfs/dbraw/zinc/78/81/64/568788164.db2.gz IAAKPHFHRODEKE-GHTZIAJQSA-N 1 0 406.486 2.033 40 0 HEABRO C[C@@]12C[C@H]3[C@@H](Cc4ccccc4)[NH2+][C@@H]1CCCC[C@@H]2N3C(=O)Cn1ccc(=O)[nH]c1=O ZINC000257260257 568792909 /nfs/dbraw/zinc/79/29/09/568792909.db2.gz LCAPKAHPEHINJH-BORCDFBASA-N 1 0 422.529 2.082 40 0 HEABRO COc1ccc(CCNC(=O)[C@@H]2C[N@H+](C)C[C@H]2c2ccc(CNC(C)=O)cc2)cc1 ZINC000257261026 568793124 /nfs/dbraw/zinc/79/31/24/568793124.db2.gz LFLMWHWCPKWNEF-XZOQPEGZSA-N 1 0 409.530 2.335 40 0 HEABRO CNc1cc(C[NH2+]C)nc([C@H]2CCCN2S(=O)(=O)c2cc(C)c(OC)cc2C)n1 ZINC000019760614 568871077 /nfs/dbraw/zinc/87/10/77/568871077.db2.gz QFXVNNWXIUQIDS-MRXNPFEDSA-N 1 0 419.551 2.389 40 0 HEABRO COc1ccc(NC(=O)c2nnc3n2C[C@@H]2C[N@@H+](Cc4cccnc4)C[C@H]2C3)cc1 ZINC000306130061 568892431 /nfs/dbraw/zinc/89/24/31/568892431.db2.gz IVMIAHAQDVTOES-SJORKVTESA-N 1 0 404.474 2.238 40 0 HEABRO CCCNC(=O)c1nnc2n1CC1(CC2)CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000306133779 568895822 /nfs/dbraw/zinc/89/58/22/568895822.db2.gz MVYOSLWDCPLGAA-UHFFFAOYSA-N 1 0 411.506 2.375 40 0 HEABRO O=c1c2c(nc3n1CC1(C3)CC[NH+](C3CCC3)CC1)CCN(Cc1cccnc1)C2 ZINC000306140080 568901966 /nfs/dbraw/zinc/90/19/66/568901966.db2.gz UJKFUDFFMQGCSD-UHFFFAOYSA-N 1 0 405.546 2.387 40 0 HEABRO CC(C)(C)OC(=O)N[C@@]1(C[NH3+])[C@@H](c2ccc(Br)cc2)[C@@H]1S(C)(=O)=O ZINC000218193395 568927872 /nfs/dbraw/zinc/92/78/72/568927872.db2.gz UUVZOKGAQXAXDM-XEZPLFJOSA-N 1 0 419.341 2.182 40 0 HEABRO Cc1ccc(C[NH2+]CCN(Cc2cccc(C)c2)[C@@H]2CS(=O)(=O)C[C@H]2O)cc1 ZINC000575421480 569025855 /nfs/dbraw/zinc/02/58/55/569025855.db2.gz QRJVBUXDSINKRT-FGZHOGPDSA-N 1 0 402.560 2.053 40 0 HEABRO C[C@@]1([NH2+]CCNS(=O)(=O)c2ccc(C3CCCCC3)cc2)CCS(=O)(=O)C1 ZINC000575423128 569026340 /nfs/dbraw/zinc/02/63/40/569026340.db2.gz OHEXZQCDRYEEMI-LJQANCHMSA-N 1 0 414.593 2.179 40 0 HEABRO CC[NH+](CC)CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C)ccc1C ZINC000575423722 569026385 /nfs/dbraw/zinc/02/63/85/569026385.db2.gz QWEQDYHSZGKWBJ-GOSISDBHSA-N 1 0 416.609 2.213 40 0 HEABRO O=C(c1ccc(F)cc1Cl)N1CCN(c2cn[nH+]c(N3CCOCC3)c2)CC1 ZINC000224329564 569057451 /nfs/dbraw/zinc/05/74/51/569057451.db2.gz WQGXAWGPXWMWCX-UHFFFAOYSA-N 1 0 405.861 2.068 40 0 HEABRO O=S(=O)(c1ccccc1F)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1Cn1nnc2ccccc21 ZINC000019376717 569345407 /nfs/dbraw/zinc/34/54/07/569345407.db2.gz JEFGUQIDXKWKJY-JKSUJKDBSA-N 1 0 415.494 2.108 40 0 HEABRO CC[NH+]1CCC2(CC1)NC(=O)N(C1CCN(C(=O)CCc3ccccc3)CC1)C2=O ZINC000019699547 569347045 /nfs/dbraw/zinc/34/70/45/569347045.db2.gz UOCUNYOWJOFUPX-UHFFFAOYSA-N 1 0 412.534 2.017 40 0 HEABRO CC(C)[NH+]1CCC2(CC1)NC(=O)N(C1CCN(C(=O)Cc3ccccc3)CC1)C2=O ZINC000019699524 569347051 /nfs/dbraw/zinc/34/70/51/569347051.db2.gz AKNOPRYFDFMJIJ-UHFFFAOYSA-N 1 0 412.534 2.015 40 0 HEABRO CCC(=O)N1CCC[C@@H](N2C(=O)NC3(CC[NH+](CCc4ccccc4)CC3)C2=O)C1 ZINC000019699970 569347108 /nfs/dbraw/zinc/34/71/08/569347108.db2.gz NIOVOFCIRNWEFQ-LJQANCHMSA-N 1 0 412.534 2.017 40 0 HEABRO CCC[NH+]1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)C3CCCCC3)C1)C2=O ZINC000019699996 569347135 /nfs/dbraw/zinc/34/71/35/569347135.db2.gz XJYTYZDVAZFFEW-GOSISDBHSA-N 1 0 404.555 2.354 40 0 HEABRO COc1ccccc1CNC(=O)c1cc([C@H]2CC[N@H+](Cc3cn(C)nc3C)C2)n[nH]1 ZINC000019707684 569347953 /nfs/dbraw/zinc/34/79/53/569347953.db2.gz AUIGPGQQVACMCF-KRWDZBQOSA-N 1 0 408.506 2.380 40 0 HEABRO CN(C)c1cc(CN(C)CC(=O)Nc2ccc(F)cc2)nc([C@@H]2CCC[NH2+]C2)n1 ZINC000019709737 569348225 /nfs/dbraw/zinc/34/82/25/569348225.db2.gz DPQMAUFYILYRBL-OAHLLOKOSA-N 1 0 400.502 2.219 40 0 HEABRO CCS(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000058050146 569352307 /nfs/dbraw/zinc/35/23/07/569352307.db2.gz PUIRUJZEIFZPJT-FQEVSTJZSA-N 1 0 407.580 2.350 40 0 HEABRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2S(=O)(=O)c1nc2cc(C)nc(C)n2n1 ZINC000004558130 557568065 /nfs/dbraw/zinc/56/80/65/557568065.db2.gz REOUCWWUZMDXKC-WMZOPIPTSA-N 1 0 412.519 2.046 40 0 HEABRO CC1CC[NH+](CCCNC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)CC1 ZINC000007077883 557734796 /nfs/dbraw/zinc/73/47/96/557734796.db2.gz HMLJOSXENZZPHM-UHFFFAOYSA-N 1 0 413.609 2.387 40 0 HEABRO CN(C)C(=O)C[N@@H+]1CCCC[C@H]1C1CCN(C(=O)c2ccc3nsnc3c2)CC1 ZINC000019746318 558266235 /nfs/dbraw/zinc/26/62/35/558266235.db2.gz MIPOHJUQZNPDQC-IBGZPJMESA-N 1 0 415.563 2.486 40 0 HEABRO O=C(CC1CCN(S(=O)(=O)c2cccc(F)c2)CC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000019748811 558268003 /nfs/dbraw/zinc/26/80/03/558268003.db2.gz DPJHPHVFGMMUNJ-LJQANCHMSA-N 1 0 423.554 2.313 40 0 HEABRO COc1ccccc1CN(CC[NH+](C)C)C(=O)Cc1nn(C)c(=O)c2ccccc12 ZINC000012238248 558359201 /nfs/dbraw/zinc/35/92/01/558359201.db2.gz PPWCQVXYIYFFMP-UHFFFAOYSA-N 1 0 408.502 2.075 40 0 HEABRO Cc1ccc(N(CC(=O)NCCC[NH+](C)C)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000013668477 558560382 /nfs/dbraw/zinc/56/03/82/558560382.db2.gz ISHCRNIFKCRTNK-UHFFFAOYSA-N 1 0 407.511 2.397 40 0 HEABRO COCCn1cc(C[NH+]2CCC(O)(Cn3nc(C)ccc3=O)CC2)c2ccccc21 ZINC000019131386 558845476 /nfs/dbraw/zinc/84/54/76/558845476.db2.gz UUNSLYLOBWWNPG-UHFFFAOYSA-N 1 0 410.518 2.180 40 0 HEABRO C[C@@H]1CCCC[N@@H+]1CC(=O)N1C[C@@H](c2ccc(F)c(F)c2)[C@]2(C1)COCCC(=O)N2 ZINC000019496349 558895245 /nfs/dbraw/zinc/89/52/45/558895245.db2.gz VQTNMUYOTUFSPR-ZWWNWMABSA-N 1 0 421.488 2.040 40 0 HEABRO 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 558896324 /nfs/dbraw/zinc/89/63/24/558896324.db2.gz BWSAXPSFDVMOGU-KOUHRCEDSA-N 1 0 423.561 2.394 40 0 HEABRO C[N@@H+]1CCc2nc([C@H]3CCCN(C(=O)COc4ccccc4F)C3)[nH]c(=O)c2C1 ZINC000019590248 558940896 /nfs/dbraw/zinc/94/08/96/558940896.db2.gz MGZMAEHKRGKWEB-AWEZNQCLSA-N 1 0 400.454 2.094 40 0 HEABRO COCCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccnc(N2CCCC2)n1 ZINC000019593507 558944662 /nfs/dbraw/zinc/94/46/62/558944662.db2.gz LPGCSEMBNGAGGU-WOJBJXKFSA-N 1 0 409.534 2.055 40 0 HEABRO COCc1cc(=O)[nH]c([C@H]2CCC[N@H+](Cc3cc(OC)c(OC)c(OC)c3)C2)n1 ZINC000019594302 558945135 /nfs/dbraw/zinc/94/51/35/558945135.db2.gz JYDDPNDWQPJCEJ-HNNXBMFYSA-N 1 0 403.479 2.322 40 0 HEABRO COc1ccc(CN(Cc2ccnc(N3CCOCC3)n2)C2CC[NH+](C)CC2)cc1 ZINC000019664296 558954891 /nfs/dbraw/zinc/95/48/91/558954891.db2.gz TVOFYFGNBUGTCM-UHFFFAOYSA-N 1 0 411.550 2.418 40 0 HEABRO CCc1cc2c(ncn(CC(=O)Nc3ccnn3C3CC[NH+](C)CC3)c2=O)s1 ZINC000019665640 558955675 /nfs/dbraw/zinc/95/56/75/558955675.db2.gz NNPDUKLQCBWCSK-UHFFFAOYSA-N 1 0 400.508 2.122 40 0 HEABRO CN(C)c1cc(C[NH+](C)C)nc([C@H]2CCCN2C(=O)c2ccc3c(c2)OCCO3)n1 ZINC000072370070 558956360 /nfs/dbraw/zinc/95/63/60/558956360.db2.gz LZZKYLGPJAGGQD-QGZVFWFLSA-N 1 0 411.506 2.353 40 0 HEABRO CC1CC[NH+](CCC(=O)N2CCC[C@@H]2c2ccc(C(=O)N3CCOCC3)cn2)CC1 ZINC000072374445 558961976 /nfs/dbraw/zinc/96/19/76/558961976.db2.gz BQZFDXZLTKLXTC-OAQYLSRUSA-N 1 0 414.550 2.340 40 0 HEABRO CC(C)[NH+]1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)Cc3ccccc3)C1)C2=O ZINC000019699845 558966793 /nfs/dbraw/zinc/96/67/93/558966793.db2.gz CXDKSNNPEPWULB-IBGZPJMESA-N 1 0 412.534 2.015 40 0 HEABRO C[NH+]1CCC(C(=O)N2CCC[C@H]2c2nnc3n2CCN(C(=O)OC(C)(C)C)C3)CC1 ZINC000019707843 558969946 /nfs/dbraw/zinc/96/99/46/558969946.db2.gz ABBZJLHRSJQGHL-INIZCTEOSA-N 1 0 418.542 2.034 40 0 HEABRO COc1ccccc1S(=O)(=O)N(C)Cc1cc(N(C)C)nc([C@H]2CCCC[NH2+]2)n1 ZINC000019709872 558971653 /nfs/dbraw/zinc/97/16/53/558971653.db2.gz DUHVMPMLJZFEKS-MRXNPFEDSA-N 1 0 419.551 2.187 40 0 HEABRO CNc1nc(C2CC[NH+](C)CC2)nc2c1CN(S(=O)(=O)c1ccccc1)CC2 ZINC000019710489 558972586 /nfs/dbraw/zinc/97/25/86/558972586.db2.gz GOTGSJJFJVYGRQ-UHFFFAOYSA-N 1 0 401.536 2.075 40 0 HEABRO O=C(CNC1=NS(=O)(=O)c2ccccc21)NC1(C[NH+]2CCCCC2)CCCCC1 ZINC000019717677 558980517 /nfs/dbraw/zinc/98/05/17/558980517.db2.gz FVEOSKLRIMECKN-UHFFFAOYSA-N 1 0 418.563 2.030 40 0 HEABRO COc1cc([C@H]2c3cc4c(cc3O[C@H]([NH2+]CCO)[C@@H]2C)OCO4)cc(OC)c1O ZINC000073330540 558986336 /nfs/dbraw/zinc/98/63/36/558986336.db2.gz PLYMCEKNTUNNOM-VKFHIQHVSA-N 1 0 403.431 2.207 40 0 HEABRO Cc1ccccc1S(=O)(=O)N1CCC2(CO[C@H](C[NH+]3CCC(O)CC3)C2)CC1 ZINC000585103089 559026425 /nfs/dbraw/zinc/02/64/25/559026425.db2.gz CTHRVBXJVHQOQL-IBGZPJMESA-N 1 0 408.564 2.012 40 0 HEABRO Cc1ccccc1S(=O)(=O)N1CCC2(CO[C@@H](C[N@H+]3CC[C@@H](C)[C@H](O)C3)C2)CC1 ZINC000585105141 559027667 /nfs/dbraw/zinc/02/76/67/559027667.db2.gz ZENGROIAWKRIJP-MISYRCLQSA-N 1 0 422.591 2.258 40 0 HEABRO Cc1ncsc1C(=O)N1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](CC3CCCC3)C[C@@H]12 ZINC000585106346 559028839 /nfs/dbraw/zinc/02/88/39/559028839.db2.gz YPEZRTTUSXGEPD-SJORKVTESA-N 1 0 402.564 2.294 40 0 HEABRO CN1C(=O)[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2C12CCN(C(=O)c1ccccc1)CC2 ZINC000096143571 559095975 /nfs/dbraw/zinc/09/59/75/559095975.db2.gz MIGYJXVGFJKDFR-LEWJYISDSA-N 1 0 404.514 2.277 40 0 HEABRO CN(C)C(=O)[C@@]12C[N@H+](Cc3cnn(C)c3)C[C@@H]1CN(C(=O)C1CCCCC1)CCC2 ZINC000096251331 559105419 /nfs/dbraw/zinc/10/54/19/559105419.db2.gz ULNDDWSYPXCBDV-OFNKIYASSA-N 1 0 415.582 2.129 40 0 HEABRO CCOC(=O)N1CCC([N@@H+]2CC[C@H](O)[C@@](O)(COc3cc(C)cc(C)c3C)C2)CC1 ZINC000585286819 559122079 /nfs/dbraw/zinc/12/20/79/559122079.db2.gz JDCBYCOKFHZHEC-GMAHTHKFSA-N 1 0 420.550 2.409 40 0 HEABRO Cc1ccc(Cl)cc1N(CCCC(=O)NC1CC[NH+](C)CC1)S(C)(=O)=O ZINC000113939758 559182311 /nfs/dbraw/zinc/18/23/11/559182311.db2.gz XZOHAOMJPLUUGE-UHFFFAOYSA-N 1 0 401.960 2.405 40 0 HEABRO CCS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000113943696 559182590 /nfs/dbraw/zinc/18/25/90/559182590.db2.gz LIOXTYFENUUTDL-UHFFFAOYSA-N 1 0 402.520 2.452 40 0 HEABRO COCCOc1cc(CN2CC[C@](O)(C[NH+]3CCC(F)(F)CC3)C2)ccc1OC ZINC000257210628 559282540 /nfs/dbraw/zinc/28/25/40/559282540.db2.gz BVNABARWBSWBMJ-FQEVSTJZSA-N 1 0 414.493 2.388 40 0 HEABRO C[N@H+](Cc1ccc(OCCn2cccn2)cc1)C[C@@]1(O)CCN(c2ccccn2)C1 ZINC000257326301 559283135 /nfs/dbraw/zinc/28/31/35/559283135.db2.gz WWRMRAHETUJIMJ-QHCPKHFHSA-N 1 0 407.518 2.430 40 0 HEABRO CN1CC[NH+]([C@H]2CC[C@](CNC(=O)c3ccncc3)(c3ccccc3)CC[C@@H]2O)CC1 ZINC000257305572 559286121 /nfs/dbraw/zinc/28/61/21/559286121.db2.gz SQOWZAVYQWGDSM-LSQMVHIFSA-N 1 0 422.573 2.300 40 0 HEABRO COCCCNC(=S)N(CC[NH+](C)C)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000004133523 560600617 /nfs/dbraw/zinc/60/06/17/560600617.db2.gz VCWIVHPNDHJSKC-UHFFFAOYSA-N 1 0 404.580 2.420 40 0 HEABRO COCCCNC(=S)N(CC[NH+](C)C)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000004133568 560600647 /nfs/dbraw/zinc/60/06/47/560600647.db2.gz ZISHOOLKFWHPJU-UHFFFAOYSA-N 1 0 404.580 2.420 40 0 HEABRO COc1ccc(N([C@H](C)C(=O)NCCC[NH+]2CCCCCC2)S(C)(=O)=O)cc1 ZINC000010111180 560763725 /nfs/dbraw/zinc/76/37/25/560763725.db2.gz HSUXRENZOOUNTJ-QGZVFWFLSA-N 1 0 411.568 2.232 40 0 HEABRO C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCC[NH+]1CCCCCC1 ZINC000223739576 568557785 /nfs/dbraw/zinc/55/77/85/568557785.db2.gz IJHYYHSQYMMNCU-KRWDZBQOSA-N 1 0 411.568 2.232 40 0 HEABRO O=C(c1ccc(C(F)(F)F)cc1)N1CCN(c2cc(N3CCOCC3)cn[nH+]2)CC1 ZINC000224318683 568577717 /nfs/dbraw/zinc/57/77/17/568577717.db2.gz UZILUGHYMSWXKD-UHFFFAOYSA-N 1 0 421.423 2.294 40 0 HEABRO Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1 ZINC000224425371 568580885 /nfs/dbraw/zinc/58/08/85/568580885.db2.gz DKHKBECHXMEBJS-UHFFFAOYSA-N 1 0 401.532 2.203 40 0 HEABRO CC(=O)NC1CC[NH+](C[C@]2(O)CCCN(C(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000257213390 568779933 /nfs/dbraw/zinc/77/99/33/568779933.db2.gz CHJIILGXGWMDOB-NRFANRHFSA-N 1 0 407.942 2.298 40 0 HEABRO Cc1cc(Nc2ncccn2)cc(C2CC[NH+](CCC(=O)N3CCOCC3)CC2)n1 ZINC000257226136 568783677 /nfs/dbraw/zinc/78/36/77/568783677.db2.gz FJGNKGYUQGOBHW-UHFFFAOYSA-N 1 0 410.522 2.352 40 0 HEABRO CNC(=O)c1sc2nc([C@]3(C)CCCN(C(=O)C[NH+]4CCCC4)C3)ccc2c1N ZINC000257258326 568792499 /nfs/dbraw/zinc/79/24/99/568792499.db2.gz KTIJSOAPMJAKSH-OAQYLSRUSA-N 1 0 415.563 2.214 40 0 HEABRO Cc1cc(N2CC[C@@](O)(CN(C)C(=O)c3ccc(C[NH+]4CCCCC4)cc3)C2)ncn1 ZINC000257261775 568793285 /nfs/dbraw/zinc/79/32/85/568793285.db2.gz LITAPFKOPOKTHK-XMMPIXPASA-N 1 0 423.561 2.484 40 0 HEABRO CC(=O)N1CC[NH+]([C@@H]2CCCC[C@@H](NC(=O)c3cc(C(C)C)ccc3O)[C@H]2O)CC1 ZINC000257263579 568793821 /nfs/dbraw/zinc/79/38/21/568793821.db2.gz LQQKTIWITGLPNG-KCZVDYSFSA-N 1 0 417.550 2.082 40 0 HEABRO Cc1nc(C)c(C[N@@H+]2CCOC[C@@]3(CC[C@@H](CNC(=O)c4cccnc4)O3)C2)s1 ZINC000306124562 568887741 /nfs/dbraw/zinc/88/77/41/568887741.db2.gz BTPXMZVFIMXXJX-GHTZIAJQSA-N 1 0 416.547 2.335 40 0 HEABRO CC(=O)N1CCC[C@@H]1c1nc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)c2ccccn21 ZINC000306133006 568895001 /nfs/dbraw/zinc/89/50/01/568895001.db2.gz LYOZVNXBQQRICX-HXUWFJFHSA-N 1 0 418.501 2.375 40 0 HEABRO CC(=O)N1CCC[C@H]1c1nc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)c2ccccn21 ZINC000306133005 568895039 /nfs/dbraw/zinc/89/50/39/568895039.db2.gz LYOZVNXBQQRICX-FQEVSTJZSA-N 1 0 418.501 2.375 40 0 HEABRO COc1ccc(NC(=O)c2nnc3n2C[C@H]2C[N@@H+](Cc4ccncc4)C[C@H]2C3)cc1 ZINC000306139302 568901069 /nfs/dbraw/zinc/90/10/69/568901069.db2.gz SUFDIQOYOOXGHX-IAGOWNOFSA-N 1 0 404.474 2.238 40 0 HEABRO Cc1ccc(C[N@H+]2CC[C@@]3(C2)Cn2c(nnc2C(=O)NCC(C)C)CN3C)cc1C ZINC000306139249 568901153 /nfs/dbraw/zinc/90/11/53/568901153.db2.gz STGGTCXLCMJEHY-HSZRJFAPSA-N 1 0 410.566 2.371 40 0 HEABRO C[C@@H]1CN(c2ncc3c(n2)[C@]2(CC[N@H+](Cc4ccc(O)cc4)C2)COC3)C[C@@H](C)O1 ZINC000306142212 568903791 /nfs/dbraw/zinc/90/37/91/568903791.db2.gz WTMGLZOOEZPVDL-QZMQVMSPSA-N 1 0 410.518 2.470 40 0 HEABRO CCOc1ccc(CCC(=O)N2CCC3(C[C@H](CN4CC[NH+](C)CC4)O3)CC2)cc1 ZINC000306144955 568906233 /nfs/dbraw/zinc/90/62/33/568906233.db2.gz ZTEOBYKCOLLUNQ-JOCHJYFZSA-N 1 0 415.578 2.415 40 0 HEABRO COC(=O)c1cn(C2CC2)c2c(cc(F)c(N3C[C@@H]4CCC[NH2+][C@@H]4C3)c2OC)c1=O ZINC000077311493 568923908 /nfs/dbraw/zinc/92/39/08/568923908.db2.gz BUKHHABNOWGLMO-YVEFUNNKSA-N 1 0 415.465 2.459 40 0 in-vitro HEABRO Cc1ccc(C[NH2+]CCN(Cc2cccc(C)c2)[C@H]2CS(=O)(=O)C[C@H]2O)cc1 ZINC000575421477 569025885 /nfs/dbraw/zinc/02/58/85/569025885.db2.gz QRJVBUXDSINKRT-FCHUYYIVSA-N 1 0 402.560 2.053 40 0 HEABRO CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCSC)[NH2+][C@]21C(=O)Nc2ccc(F)cc21 ZINC000016022186 569026115 /nfs/dbraw/zinc/02/61/15/569026115.db2.gz NVVBORDBMCXQLB-PGHPUMOWSA-N 1 0 405.495 2.098 40 0 HEABRO CN1c2ccccc2[C@@]2(C1=O)c1c(oc3ccccc3c1=O)C(=O)N2CCC[NH+](C)C ZINC000033896910 569027757 /nfs/dbraw/zinc/02/77/57/569027757.db2.gz FWMURFMWNBJXJT-DEOSSOPVSA-N 1 0 417.465 2.421 40 0 HEABRO CN(C)c1cn[nH+]c(N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000224315667 569057080 /nfs/dbraw/zinc/05/70/80/569057080.db2.gz RCRDRGSRLCYHIB-UHFFFAOYSA-N 1 0 415.441 2.072 40 0 HEABRO COc1ccc(N(CC(=O)NCCC[NH+]2CCCCC2)S(C)(=O)=O)cc1Cl ZINC000010278059 569343172 /nfs/dbraw/zinc/34/31/72/569343172.db2.gz DTVJTUONNJZQHS-UHFFFAOYSA-N 1 0 417.959 2.107 40 0 HEABRO CC(=O)N1CC[C@](Cc2cc(-c3ccccc3)no2)(C(=O)N2CCC[N@@H+](C)CC2)C1 ZINC000019703563 569347562 /nfs/dbraw/zinc/34/75/62/569347562.db2.gz SYWDLHQQVQUTFQ-HSZRJFAPSA-N 1 0 410.518 2.287 40 0 HEABRO COc1ccccc1CNc1n[nH]c2nc([C@H]3CCN(C(=O)C[NH+](C)C)C3)ccc12 ZINC000019705141 569347865 /nfs/dbraw/zinc/34/78/65/569347865.db2.gz YJBVSJNGLLKRHQ-INIZCTEOSA-N 1 0 408.506 2.456 40 0 HEABRO C[NH2+]Cc1cc(N(C)C)nc([C@H]2CCCN(C(=O)COc3ccc(F)cc3)C2)n1 ZINC000019709646 569348111 /nfs/dbraw/zinc/34/81/11/569348111.db2.gz BHSMUGATMXUZMV-HNNXBMFYSA-N 1 0 401.486 2.186 40 0 HEABRO C[NH2+]Cc1cc(N(C)C)nc([C@H]2CCCN2CC(=O)N2CCCc3ccccc32)n1 ZINC000019760831 569348913 /nfs/dbraw/zinc/34/89/13/569348913.db2.gz PKKZSGOSHFTXNM-HXUWFJFHSA-N 1 0 408.550 2.378 40 0 HEABRO CS(=O)(=O)N1CCCc2cc([C@@H](O)C[NH+]3CCN(c4ccccc4)CC3)ccc21 ZINC000019572485 132468027 /nfs/dbraw/zinc/46/80/27/132468027.db2.gz UISUGWFTWGWSLE-QFIPXVFZSA-N 1 0 415.559 2.254 40 0 HEABRO O=C(NCc1ccccc1)[C@H]1C[N@@H+]2CC[C@@H]1C[C@@H]2Cn1cc(-c2ccccn2)nn1 ZINC000008253950 557778287 /nfs/dbraw/zinc/77/82/87/557778287.db2.gz RLUAFRWYEWQXAV-AQNXPRMDSA-N 1 0 402.502 2.367 40 0 biogenic,in-vitro HEABRO CNc1nc(C2CC[NH2+]CC2)nc2c1CCN(S(=O)(=O)c1ccccc1Cl)C2 ZINC000019752465 558271941 /nfs/dbraw/zinc/27/19/41/558271941.db2.gz KWYGGCZOJALFJH-UHFFFAOYSA-N 1 0 421.954 2.386 40 0 HEABRO CCCCc1ncc(C[N@@H+]2C[C@@H]3CC[C@@](O)(c4cnc(OC)nc4OC)[C@@H]3C2)cn1 ZINC000012125249 558331302 /nfs/dbraw/zinc/33/13/02/558331302.db2.gz DUFQWLJGLWDGFR-AQOAWAETSA-N 1 0 413.522 2.356 40 0 HEABRO COc1ccc(Cl)cc1NC(=O)C[C@H]1N=C(NC(=[NH2+])Nc2ccccc2)NC1=O ZINC000020635272 558395603 /nfs/dbraw/zinc/39/56/03/558395603.db2.gz RNFOZNWHLNLZQN-CQSZACIVSA-N 1 0 414.853 2.168 40 0 HEABRO COc1ncc([C@@]2(O)CC[C@@H]3C[N@H+](Cc4cnc5ccccc5n4)C[C@@H]32)c(OC)n1 ZINC000012407258 558398424 /nfs/dbraw/zinc/39/84/24/558398424.db2.gz IDTBEYSDNLGNJX-UVQUFPMPSA-N 1 0 407.474 2.167 40 0 HEABRO CCOC(=O)C1=C(O)NC(N2CCN(c3ccccc3)CC2)=[NH+][C@H]1c1ccc(F)cc1 ZINC000020674725 558399263 /nfs/dbraw/zinc/39/92/63/558399263.db2.gz MXCAJKXVLWKSTG-UXHICEINSA-N 1 0 424.476 2.354 40 0 HEABRO CS(=O)(=O)N(CC(=O)NCCC[NH+]1CCCCCC1)c1ccc(Cl)cc1 ZINC000013672563 558563249 /nfs/dbraw/zinc/56/32/49/558563249.db2.gz OKWAOBWDFAHKSC-UHFFFAOYSA-N 1 0 401.960 2.488 40 0 HEABRO Cc1nn(-c2ccc(Cl)cc2)c2[nH]c(=O)c(C[NH2+]CCCN3CCOCC3)cc12 ZINC000036740442 558801555 /nfs/dbraw/zinc/80/15/55/558801555.db2.gz HAGQNVHCEHTTOO-UHFFFAOYSA-N 1 0 415.925 2.488 40 0 HEABRO Cc1cccc(C[N@@H+]2CC[C@H](c3nc4c(c(=O)[nH]3)CCN(C(=O)C3CCC3)C4)C2)n1 ZINC000019236156 558855218 /nfs/dbraw/zinc/85/52/18/558855218.db2.gz VUMHVLJIGXQOHZ-KRWDZBQOSA-N 1 0 407.518 2.148 40 0 HEABRO CC(C)NC(=O)CN1CC2(CCC([NH+]3CCOCC3)CC2)Oc2ccccc2C1=O ZINC000019449906 558888418 /nfs/dbraw/zinc/88/84/18/558888418.db2.gz NIIJBIZITCHTJZ-UHFFFAOYSA-N 1 0 415.534 2.059 40 0 HEABRO CC[NH+]1CCC(n2nccc2NC(=O)c2cccc3c2C(=O)N(CCOC)C3)CC1 ZINC000019527062 558908112 /nfs/dbraw/zinc/90/81/12/558908112.db2.gz NUWBAYXGOURODM-UHFFFAOYSA-N 1 0 411.506 2.394 40 0 HEABRO Cc1nc([C@@H]2CCCN(C(=O)C[NH+](C)C)C2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000072345541 558942085 /nfs/dbraw/zinc/94/20/85/558942085.db2.gz SVNQMPBHUWFRCV-QGZVFWFLSA-N 1 0 413.497 2.122 40 0 HEABRO O=C(CC[NH+]1CCCC1)N[C@H]1CCc2ccc(S(=O)(=O)NC3CCCC3)cc21 ZINC000072345786 558942206 /nfs/dbraw/zinc/94/22/06/558942206.db2.gz NMIPPLFBCTWDID-FQEVSTJZSA-N 1 0 405.564 2.497 40 0 HEABRO COCC(=O)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)C[N@H+](Cc2cccs2)CC3)C1 ZINC000019592800 558943634 /nfs/dbraw/zinc/94/36/34/558943634.db2.gz BEHGAKWERTVKKC-CQSZACIVSA-N 1 0 402.520 2.154 40 0 HEABRO COCCNC(=O)[C@@H]1C[N@H+](CC2=CCCCC2)C[C@H]1c1ccnc(N2CCCC2)n1 ZINC000019593505 558944648 /nfs/dbraw/zinc/94/46/48/558944648.db2.gz XVGBGLHUYKHTGY-WOJBJXKFSA-N 1 0 413.566 2.355 40 0 HEABRO CC(=O)N1CCC([N@@H+]2CCC[C@H](c3nccnc3-c3cccc(C(N)=O)c3)C2)CC1 ZINC000072359107 558954778 /nfs/dbraw/zinc/95/47/78/558954778.db2.gz LALMBESVQFCOLU-IBGZPJMESA-N 1 0 407.518 2.433 40 0 HEABRO CNc1nc([C@@H]2CCC[N@H+](C)C2)nc2c1CCN(C(=O)Cc1ccc(OC)cc1)C2 ZINC000019707200 558969519 /nfs/dbraw/zinc/96/95/19/558969519.db2.gz WMCKHWUZPNCVJH-QGZVFWFLSA-N 1 0 409.534 2.464 40 0 HEABRO C[NH+](C)C1(CNC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)CCCC1 ZINC000019714622 558974788 /nfs/dbraw/zinc/97/47/88/558974788.db2.gz IBZJQKXZPVWLTG-GOSISDBHSA-N 1 0 411.543 2.360 40 0 HEABRO CC1CC[NH+](Cc2cccc(NC(=O)CCn3cnc4c(cnn4C)c3=O)c2)CC1 ZINC000019716225 558977885 /nfs/dbraw/zinc/97/78/85/558977885.db2.gz VAYDHBUIBMGLSU-UHFFFAOYSA-N 1 0 408.506 2.391 40 0 HEABRO C[N@@H+](Cc1cccnc1)C[C@@H]1CC2(CO1)CCN(S(=O)(=O)c1ccccn1)CC2 ZINC000585104612 559027183 /nfs/dbraw/zinc/02/71/83/559027183.db2.gz RMMVJVQDYYWDHM-IBGZPJMESA-N 1 0 416.547 2.168 40 0 HEABRO C[C@@H]1CC[N@H+](C[C@H]2CC3(CO2)CCN(C(=O)Cc2ccc(O)cc2)CC3)C[C@H]1O ZINC000585105144 559027645 /nfs/dbraw/zinc/02/76/45/559027645.db2.gz ZKPSCDLRICGUNB-DUXKGJEZSA-N 1 0 402.535 2.035 40 0 HEABRO Cc1nc(C(=O)N2CCC3(CC2)NC(=O)[C@@H]2C[N@H+](Cc4ccccc4)C[C@@H]23)cs1 ZINC000585106207 559028585 /nfs/dbraw/zinc/02/85/85/559028585.db2.gz DOXDSIQSMDEWNE-MSOLQXFVSA-N 1 0 410.543 2.304 40 0 HEABRO CCOC(=O)[C@@]12C[N@H+](CCN(C)C)C[C@@H]1CN(C(=O)c1ccccc1C)CCC2 ZINC000585108087 559029850 /nfs/dbraw/zinc/02/98/50/559029850.db2.gz VMWVCEDJDCMVIX-XXBNENTESA-N 1 0 401.551 2.274 40 0 HEABRO CN1CC[C@]2(C[N@H+](Cc3cccnc3)CC23CCN(C(=O)N2CCCC2)CC3)C1=O ZINC000096144291 559096492 /nfs/dbraw/zinc/09/64/92/559096492.db2.gz DHSJNCFRDRNJML-QHCPKHFHSA-N 1 0 411.550 2.044 40 0 HEABRO O=C(NCC[NH+]1CCCC1)c1nc(-c2cn(Cc3cccnc3)cn2)n2ccccc12 ZINC000096155036 559099332 /nfs/dbraw/zinc/09/93/32/559099332.db2.gz LKOUJEAXBIOFDL-UHFFFAOYSA-N 1 0 415.501 2.467 40 0 HEABRO CC[C@@H](CO)NC(=O)c1ncn2c1nccc2C1CC[NH+](Cc2ccncc2)CC1 ZINC000096155746 559099877 /nfs/dbraw/zinc/09/98/77/559099877.db2.gz BJTGWFKFWHMXMV-SFHVURJKSA-N 1 0 408.506 2.005 40 0 HEABRO CC[N@H+](Cc1ccncc1)C[C@@]1(O)CCN(C(=O)c2ccc(Cl)cc2)C[C@@H]1O ZINC000585284267 559121009 /nfs/dbraw/zinc/12/10/09/559121009.db2.gz JHJAHISXZIRCQN-FPOVZHCZSA-N 1 0 403.910 2.195 40 0 HEABRO O=C(c1ccc(Cl)cc1)N1CC[C@](O)(C[NH2+]CCc2ccc(F)cc2)[C@@H](O)C1 ZINC000585285566 559121542 /nfs/dbraw/zinc/12/15/42/559121542.db2.gz QQTUGNPFXXTZEB-FPOVZHCZSA-N 1 0 406.885 2.249 40 0 HEABRO O=C(CCc1ccccc1)N1CC[C@](O)(C[NH2+]Cc2ccccc2Cl)[C@@H](O)C1 ZINC000585285207 559121571 /nfs/dbraw/zinc/12/15/71/559121571.db2.gz PGPHUGWGLOTCCV-UNMCSNQZSA-N 1 0 402.922 2.387 40 0 HEABRO C[C@H]1C[N@@H+]2C[C@H](O)C[C@H]2CN1Cc1cc2cc3c4c(c2oc1=O)CCCN4CCC3 ZINC000100109730 559129868 /nfs/dbraw/zinc/12/98/68/559129868.db2.gz IVKIWNTUSNLPBN-RYGJVYDSSA-N 1 0 409.530 2.131 40 0 HEABRO CN(c1ccccc1)S(=O)(=O)c1cncc(Br)c1N1CC[NH2+]CC1 ZINC000072210864 559168103 /nfs/dbraw/zinc/16/81/03/559168103.db2.gz IFSBPWWFESGLGR-UHFFFAOYSA-N 1 0 411.325 2.079 40 0 HEABRO CCOCCOc1ccc(C[N@H+](C)C[C@@]2(O)CCCN(c3ncccn3)C2)cc1 ZINC000257239737 559284055 /nfs/dbraw/zinc/28/40/55/559284055.db2.gz HQPIYEDOHXAPLF-QFIPXVFZSA-N 1 0 400.523 2.355 40 0 HEABRO O=C(Cc1cccnc1)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H]([NH+]2CCOCC2)CC1 ZINC000257280413 559285399 /nfs/dbraw/zinc/28/53/99/559285399.db2.gz OKTBQRXRBHTHIM-VDKIKQQVSA-N 1 0 423.557 2.314 40 0 HEABRO COc1ccc(CN2CC3(C2)C[N@H+](CCc2ccccc2)C[C@H]2C[C@@H](O)CN23)cc1 ZINC000514289513 560032464 /nfs/dbraw/zinc/03/24/64/560032464.db2.gz MZPKXMPKFSUIOE-DHIUTWEWSA-N 1 0 407.558 2.243 40 0 biogenic,in-vitro HEABRO Cc1cc(=O)n2c(n1)NC(N1CCN(c3ccccn3)CC1)=[NH+][C@H]2[C@H]1CC=CCC1 ZINC000009289591 560757809 /nfs/dbraw/zinc/75/78/09/560757809.db2.gz JHDOQOYMUPSVDJ-FXAWDEMLSA-N 1 0 405.506 2.405 40 0 HEABRO C[NH+](C)CCNC(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O ZINC000010111616 560763828 /nfs/dbraw/zinc/76/38/28/560763828.db2.gz GBQKMMDPJAKNRG-UHFFFAOYSA-N 1 0 402.731 2.091 40 0 HEABRO C[NH+](C)CCCNC(=O)c1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1 ZINC000010324778 560768147 /nfs/dbraw/zinc/76/81/47/560768147.db2.gz UAPUEPOPBKWTEE-UHFFFAOYSA-N 1 0 407.511 2.473 40 0 HEABRO CS(=O)(=O)N(CC(=O)NCCC[NH+]1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000010450089 560769743 /nfs/dbraw/zinc/76/97/43/560769743.db2.gz SJDLOBXBHGTOLK-UHFFFAOYSA-N 1 0 408.351 2.362 40 0 HEABRO CC1CC[NH+](CCCNC(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)CC1 ZINC000010540763 560769853 /nfs/dbraw/zinc/76/98/53/560769853.db2.gz SJMAMGNRTPOFNI-UHFFFAOYSA-N 1 0 419.950 2.483 40 0 HEABRO CC[NH+]1CCN([C@@H](c2nnnn2C(C)(C)C)c2cc3cccc(C)c3[nH]c2=O)CC1 ZINC000019527973 560874711 /nfs/dbraw/zinc/87/47/11/560874711.db2.gz NTFYQEIIVVNAQM-LJQANCHMSA-N 1 0 409.538 2.305 40 0 HEABRO C[NH+]1CCN(C[C@@H](O)COc2ccc(Br)cc2Br)CC1 ZINC000022918087 560891136 /nfs/dbraw/zinc/89/11/36/560891136.db2.gz PJZYPJDCIBYRBD-GFCCVEGCSA-N 1 0 408.134 2.199 40 0 HEABRO CCOc1cc(CNCC[NH+](CC)CC)cc(Br)c1OCC(N)=O ZINC000022075608 568473915 /nfs/dbraw/zinc/47/39/15/568473915.db2.gz CTQHUXUFRBYYNV-UHFFFAOYSA-N 1 0 402.333 2.143 40 0 HEABRO C[NH+]1CCC(Oc2ccc(NC(=O)CCN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)cc2)CC1 ZINC000219022031 568485996 /nfs/dbraw/zinc/48/59/96/568485996.db2.gz MMBPBARACVGFGD-BGYRXZFFSA-N 1 0 411.502 2.439 40 0 HEABRO C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000222812641 568527153 /nfs/dbraw/zinc/52/71/53/568527153.db2.gz FKCOSLQHYYYWDV-QGZVFWFLSA-N 1 0 411.568 2.088 40 0 HEABRO CC(=O)NC1CC[NH+](C[C@]2(O)CCCN(C(=O)c3ccc(C)c(F)c3)CC2)CC1 ZINC000257200416 568776078 /nfs/dbraw/zinc/77/60/78/568776078.db2.gz ADFPWFWQDDGQHW-QFIPXVFZSA-N 1 0 405.514 2.092 40 0 HEABRO Cc1c(NC(=O)C[N@@H+]2[C@H](Cc3ccccc3)C[C@]3(C)NC(=O)CCC[C@H]23)cnn1C ZINC000257251194 568790681 /nfs/dbraw/zinc/79/06/81/568790681.db2.gz JPUVZBITYZPXSH-RFWXGWTQSA-N 1 0 409.534 2.411 40 0 HEABRO Cc1nn(C)cc1NC(=O)C[N@@H+]1[C@H](Cc2ccccc2)C[C@H]2NC(=O)CCCC[C@@H]21 ZINC000257280827 568798815 /nfs/dbraw/zinc/79/88/15/568798815.db2.gz OMOSJHVUTUKAPU-SBHAEUEKSA-N 1 0 409.534 2.411 40 0 HEABRO CCc1n[nH]cc1C(=O)N1CCC[C@](O)(C[N@H+](C)Cc2ccc(OC)cc2)CC1 ZINC000257285689 568800140 /nfs/dbraw/zinc/80/01/40/568800140.db2.gz PIHKJGMZWQSOAY-JOCHJYFZSA-N 1 0 400.523 2.470 40 0 HEABRO CCc1n[nH]cc1C(=O)N1CCC[C@@](O)(C[N@H+](C)Cc2ccc(OC)cc2)CC1 ZINC000257285690 568800286 /nfs/dbraw/zinc/80/02/86/568800286.db2.gz PIHKJGMZWQSOAY-QFIPXVFZSA-N 1 0 400.523 2.470 40 0 HEABRO CN(C[C@@]1(O)CCCN(c2ccnc3ccncc32)C1)C(=O)c1cccc(C[NH3+])c1 ZINC000257297774 568803701 /nfs/dbraw/zinc/80/37/01/568803701.db2.gz RISZRKBNPRUCKC-QHCPKHFHSA-N 1 0 405.502 2.192 40 0 HEABRO COC(C)(C)C(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H]([NH+]2CCOCC2)CC1 ZINC000257315389 568808825 /nfs/dbraw/zinc/80/88/25/568808825.db2.gz VBCSACKXLYFPRV-TXTKFYIRSA-N 1 0 404.551 2.101 40 0 HEABRO CC(=O)NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H](N(C)C(=O)CC[NH+]2CCCC2)CC1 ZINC000257344405 568817373 /nfs/dbraw/zinc/81/73/73/568817373.db2.gz ZXBMVNFSSMFAEN-WPFOTENUSA-N 1 0 415.578 2.308 40 0 HEABRO COc1ccc(NC(=O)c2nnc3n2C[C@H]2C[N@@H+](Cc4nccs4)C[C@@H]2C3)cc1 ZINC000306124428 568887462 /nfs/dbraw/zinc/88/74/62/568887462.db2.gz BPNFUMXSYZETSI-UONOGXRCSA-N 1 0 410.503 2.300 40 0 HEABRO Cc1cccc(C[N@H+]2C[C@H]3Cc4nnc(C(=O)NCc5ccccc5)n4C[C@@H]3C2)n1 ZINC000306127356 568890355 /nfs/dbraw/zinc/89/03/55/568890355.db2.gz FWRSIHHKEGEYJR-MOPGFXCFSA-N 1 0 402.502 2.216 40 0 HEABRO COC(=O)N1Cc2nnc(-c3cccnc3)n2C2(CC[NH+](Cc3cccnc3)CC2)C1 ZINC000306130249 568892806 /nfs/dbraw/zinc/89/28/06/568892806.db2.gz JABDDDDNOHWVSD-UHFFFAOYSA-N 1 0 419.489 2.308 40 0 HEABRO CCn1cc(C[N@@H+]2C[C@@H](c3cn(C(C)C)cn3)[C@@]3(CCN(CCOC)C3=O)C2)cn1 ZINC000306131462 568893687 /nfs/dbraw/zinc/89/36/87/568893687.db2.gz KFHHDUKEZGUQSN-SIKLNZKXSA-N 1 0 414.554 2.145 40 0 HEABRO Cc1c(C[N@@H+]2CC[C@@]3(C2)COCc2cnc(N4CCC(F)(F)CC4)nc23)cnn1C ZINC000306139056 568900910 /nfs/dbraw/zinc/90/09/10/568900910.db2.gz SOEQUAPQRKBWHC-HXUWFJFHSA-N 1 0 418.492 2.428 40 0 HEABRO COc1ccc(-c2nnc3n(c2=O)CC[C@@]32CC[N@H+](Cc3cccnc3OC)C2)cc1 ZINC000306141896 568903509 /nfs/dbraw/zinc/90/35/09/568903509.db2.gz WJKJBNNIFNETQF-HSZRJFAPSA-N 1 0 419.485 2.265 40 0 HEABRO CCCCOc1ccc(S(=O)(=O)N2CCN(c3cc(N(C)C)cn[nH+]3)CC2)cc1 ZINC000224313888 569057084 /nfs/dbraw/zinc/05/70/84/569057084.db2.gz MFPRABSJBMMGRI-UHFFFAOYSA-N 1 0 419.551 2.232 40 0 HEABRO O=C(c1cccc(C(F)(F)F)c1)N1CCN(c2cc(N3CCOCC3)cn[nH+]2)CC1 ZINC000224318606 569057176 /nfs/dbraw/zinc/05/71/76/569057176.db2.gz SZLUYKHDNMATCQ-UHFFFAOYSA-N 1 0 421.423 2.294 40 0 HEABRO C[N@@H+]1C[C@@H](C(=O)Nc2ccc(F)cc2)C[C@H]1C1CCN(C(=O)c2cnccn2)CC1 ZINC000248104932 569316234 /nfs/dbraw/zinc/31/62/34/569316234.db2.gz FSKVRIBFKQRMMP-JXFKEZNVSA-N 1 0 411.481 2.427 40 0 HEABRO COC(=O)c1c2cc(OC)c(Br)cc2n(C)c1CN1CC[NH+](C)CC1 ZINC000019881334 569326935 /nfs/dbraw/zinc/32/69/35/569326935.db2.gz YNHMXCXFISIPBA-UHFFFAOYSA-N 1 0 410.312 2.483 40 0 HEABRO Cc1cnc(C(=O)N2CCC[C@H]2CN2Cc3ccccc3OC[C@H]2C[NH+](C)C)cn1 ZINC000019238883 569345250 /nfs/dbraw/zinc/34/52/50/569345250.db2.gz XISZDQYKCTYDHA-VQTJNVASSA-N 1 0 409.534 2.214 40 0 HEABRO CCC[NH+]1CCC2(CC1)NC(=O)N(C1CCN(C(=O)c3ccc(C)s3)CC1)C2=O ZINC000019699303 569346971 /nfs/dbraw/zinc/34/69/71/569346971.db2.gz NQKQBVSCBGOYJW-UHFFFAOYSA-N 1 0 418.563 2.458 40 0 HEABRO CCn1cc(CN(C)C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccc(CNC(C)=O)cc2)c(C)n1 ZINC000019699272 569346994 /nfs/dbraw/zinc/34/69/94/569346994.db2.gz YUWYROYKUNXNDI-YADHBBJMSA-N 1 0 411.550 2.151 40 0 HEABRO CCCC(=O)N1CCC(N2C(=O)NC3(CC[NH+](Cc4ccccc4)CC3)C2=O)CC1 ZINC000019699453 569346996 /nfs/dbraw/zinc/34/69/96/569346996.db2.gz SEJVIJMACXCQDB-UHFFFAOYSA-N 1 0 412.534 2.364 40 0 HEABRO CC(C)[NH+]1CCC2(CC1)NC(=O)N(C1CCN(C(=O)C3CCCCC3)CC1)C2=O ZINC000019699523 569347061 /nfs/dbraw/zinc/34/70/61/569347061.db2.gz BSYWHGRUBZCCNU-UHFFFAOYSA-N 1 0 404.555 2.353 40 0 HEABRO CCC[NH+]1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)C3CCCCC3)C1)C2=O ZINC000019699997 569347114 /nfs/dbraw/zinc/34/71/14/569347114.db2.gz XJYTYZDVAZFFEW-SFHVURJKSA-N 1 0 404.555 2.354 40 0 HEABRO CCC[NH+]1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)Cc3ccccc3)C1)C2=O ZINC000019700001 569347134 /nfs/dbraw/zinc/34/71/34/569347134.db2.gz RJRQNAYQJMHSBV-IBGZPJMESA-N 1 0 412.534 2.017 40 0 HEABRO CCC(=O)N1CCC[C@H](N2C(=O)NC3(CC[NH+](CCc4ccccc4)CC3)C2=O)C1 ZINC000019699971 569347145 /nfs/dbraw/zinc/34/71/45/569347145.db2.gz NIOVOFCIRNWEFQ-IBGZPJMESA-N 1 0 412.534 2.017 40 0 HEABRO O=C(NCC[NH+]1CCCCC1)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1 ZINC000026111770 569349916 /nfs/dbraw/zinc/34/99/16/569349916.db2.gz ATMIUCOJQFXTTG-UHFFFAOYSA-N 1 0 421.607 2.263 40 0 HEABRO CC(=O)N1CCC([N@@H+]2CCC[C@H]2c2nc(-c3ccc(-n4ccnc4)nc3)no2)CC1 ZINC000035425717 291202382 /nfs/dbraw/zinc/20/23/82/291202382.db2.gz LXPVOMJWFHEDLJ-SFHVURJKSA-N 1 0 407.478 2.465 40 0 biogenic,in-vitro HEABRO CN1CCN(Cc2nc(C3(O)CCN(C(=O)c4cccc(F)c4)CC3)cs2)CC1 ZINC000225472909 291205414 /nfs/dbraw/zinc/20/54/14/291205414.db2.gz IMKOLQMSOARBTI-UHFFFAOYSA-N 1 0 418.538 2.153 40 0 biogenic,in-vitro HEABRO CN1CCC([NH2+]C[C@H]2O[C@H](Cc3cc(COc4ccccc4)on3)CC[C@@H]2O)CC1 ZINC000077263005 291205446 /nfs/dbraw/zinc/20/54/46/291205446.db2.gz UFJYVIIACAMNRP-ACIOBRDBSA-N 1 0 415.534 2.388 40 0 biogenic,in-vitro HEABRO 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 291204282 /nfs/dbraw/zinc/20/42/82/291204282.db2.gz ONBDLKAADLMHFE-ZTQYASMCSA-N 1 0 411.498 2.479 40 0 biogenic,in-vitro HEABRO O=C(NCCC[NH+]1CCCC1)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000019934102 527660967 /nfs/dbraw/zinc/66/09/67/527660967.db2.gz MQQJLOQLYDQFGY-OAQYLSRUSA-N 1 0 421.607 2.263 40 0 HEABRO COc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@@H+]2[C@]32c3ccccc3NC2=O)c1 ZINC000100203905 557270428 /nfs/dbraw/zinc/27/04/28/557270428.db2.gz GMNXXRIOIFEQEK-CROMWVBPSA-N 1 0 403.438 2.126 40 0 HEABRO CC(C)[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000036569395 557849089 /nfs/dbraw/zinc/84/90/89/557849089.db2.gz ZVVINHNERSCXLG-DFQSSKMNSA-N 1 0 407.580 2.370 40 0 HEABRO COCC(=O)NCc1cnc2cc(C)nn2c1C1CC[NH+](Cc2cccnc2)CC1 ZINC000019743678 558264171 /nfs/dbraw/zinc/26/41/71/558264171.db2.gz KGMYKLUYUSOELN-UHFFFAOYSA-N 1 0 408.506 2.075 40 0 HEABRO CCOc1ccc(N(CC(=O)NCCC[NH+]2CCC(C)CC2)S(C)(=O)=O)cc1 ZINC000013669078 558560832 /nfs/dbraw/zinc/56/08/32/558560832.db2.gz ORQCOPCSMBZFQA-UHFFFAOYSA-N 1 0 411.568 2.090 40 0 HEABRO CC[C@H](C(=O)NCC[NH+]1CCCCC1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712881 558576966 /nfs/dbraw/zinc/57/69/66/558576966.db2.gz ZDIGEYMHOSQIGZ-QGZVFWFLSA-N 1 0 401.960 2.487 40 0 HEABRO CS(=O)(=O)c1ccc(S(=O)(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000024051886 558586794 /nfs/dbraw/zinc/58/67/94/558586794.db2.gz QIFTVRMAWGPNOV-UHFFFAOYSA-N 1 0 408.545 2.164 40 0 HEABRO C[C@@H](C(=O)N1CCN(Cc2ccccc2)CC1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000038361181 558811283 /nfs/dbraw/zinc/81/12/83/558811283.db2.gz CRFVXGLDNHPFLJ-KRWDZBQOSA-N 1 0 419.522 2.325 40 0 HEABRO CN(CC(=O)NCc1cccc(C[NH+]2CCCC2)c1)S(=O)(=O)c1ccccc1 ZINC000046456595 558840517 /nfs/dbraw/zinc/84/05/17/558840517.db2.gz HDXBJIAXSVPGDK-UHFFFAOYSA-N 1 0 401.532 2.219 40 0 HEABRO C[C@@H]1CCC[N@H+](CCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)C1 ZINC000047110812 558841816 /nfs/dbraw/zinc/84/18/16/558841816.db2.gz LYOBYWQBNPDLNC-RTBURBONSA-N 1 0 407.580 2.326 40 0 HEABRO O=C(c1cccs1)N1CCc2nc([C@@H]3CCC[N@@H+]3C3CCOCC3)[nH]c(=O)c2C1 ZINC000019342827 558872266 /nfs/dbraw/zinc/87/22/66/558872266.db2.gz FDLWTHFDXGATGG-KRWDZBQOSA-N 1 0 414.531 2.346 40 0 HEABRO O=C(c1cccs1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](C1CCOCC1)CC2 ZINC000019342668 558872306 /nfs/dbraw/zinc/87/23/06/558872306.db2.gz YCUWNIIMJDJVTE-QGZVFWFLSA-N 1 0 414.531 2.346 40 0 HEABRO CC1CCN(c2ncc(C(=O)N(C[C@@H]3CCCO3)C3CC[NH+](C)CC3)cn2)CC1 ZINC000019497077 558895952 /nfs/dbraw/zinc/89/59/52/558895952.db2.gz OTVHYSILPMCVQQ-FQEVSTJZSA-N 1 0 401.555 2.428 40 0 HEABRO COc1ccc(C[N@@H+]2CCc3nc(N4CCCC4)[nH]c(=O)c3C2)cc1Cn1cccn1 ZINC000019559445 558920709 /nfs/dbraw/zinc/92/07/09/558920709.db2.gz FBURIGVOTQLOTD-UHFFFAOYSA-N 1 0 420.517 2.182 40 0 HEABRO Cc1oc(C(=O)N(C[C@H]2CCCO2)C2CC[NH+](C)CC2)cc1CN1CCOCC1 ZINC000019582467 558937295 /nfs/dbraw/zinc/93/72/95/558937295.db2.gz HNGMWCXXBBMBPE-HXUWFJFHSA-N 1 0 405.539 2.136 40 0 HEABRO COC[C@H](C)NC(=O)CN1CCC2(CC1)Nc1cc(Cl)ccc1C1=[NH+]CCCN12 ZINC000072342678 558940695 /nfs/dbraw/zinc/94/06/95/558940695.db2.gz BAPFOACDBMAKPL-HNNXBMFYSA-N 1 0 419.957 2.161 40 0 HEABRO COCCOc1ccc(C[N@@H+]2CCc3nc(-c4cccnc4)[nH]c(=O)c3CC2)cc1 ZINC000019593734 558944941 /nfs/dbraw/zinc/94/49/41/558944941.db2.gz OKINWRYFHPMTBL-UHFFFAOYSA-N 1 0 406.486 2.458 40 0 HEABRO COc1ccc(CCC(=O)N2CC[N@H+](C)C[C@@H](Cc3cc(N(C)C)ncn3)C2)cc1 ZINC000072355155 558952347 /nfs/dbraw/zinc/95/23/47/558952347.db2.gz GIIDSHXDKUREQZ-LJQANCHMSA-N 1 0 411.550 2.117 40 0 HEABRO CCCO[C@@H]1CCC[N@H+](CC(=O)N2CC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)C1 ZINC000072373083 558960895 /nfs/dbraw/zinc/96/08/95/558960895.db2.gz UMUHEGOBNPTIDY-RBUKOAKNSA-N 1 0 416.566 2.177 40 0 HEABRO CC(=O)N1CCc2nc([C@@H]3CCC[N@@H+](C)C3)nc(NCc3ccc(CO)cc3)c2C1 ZINC000019711300 558973356 /nfs/dbraw/zinc/97/33/56/558973356.db2.gz SULAUURQAKKGDD-LJQANCHMSA-N 1 0 409.534 2.295 40 0 HEABRO O=S(=O)(c1ccccc1F)N1C[C@@H]2CCC[N@@H+]2C[C@H]1Cn1nnc2ccccc21 ZINC000257248561 558993684 /nfs/dbraw/zinc/99/36/84/558993684.db2.gz JEFGUQIDXKWKJY-HOTGVXAUSA-N 1 0 415.494 2.108 40 0 HEABRO C[C@@H]1CC[N@H+](C[C@H]2CC3(CO2)CCN(S(=O)(=O)Cc2ccccc2)CC3)C[C@H]1O ZINC000585105136 559027636 /nfs/dbraw/zinc/02/76/36/559027636.db2.gz ZCYKQSSMODTAMS-HMXCVIKNSA-N 1 0 422.591 2.090 40 0 HEABRO C[NH+](C)CCN1C[C@H](c2ccccc2)[C@]2(CN(C(=O)c3cccs3)CCO2)C1=O ZINC000585107438 559027986 /nfs/dbraw/zinc/02/79/86/559027986.db2.gz VVKCEXDPUMMWAE-XMSQKQJNSA-N 1 0 413.543 2.147 40 0 HEABRO 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 559028492 /nfs/dbraw/zinc/02/84/92/559028492.db2.gz VSFVCGONHRWQKO-UIFIKXQLSA-N 1 0 412.578 2.451 40 0 HEABRO CCn1cc(C[N@@H+]2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)N3CCC4(CCOC4)CC3)C2)cn1 ZINC000585109188 559030312 /nfs/dbraw/zinc/03/03/12/559030312.db2.gz COSYTPKAXVXSJW-NJYVYQBISA-N 1 0 416.566 2.159 40 0 HEABRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(C(=O)c3ccnnc3)CC2)c2ccccc21 ZINC000096052895 559092621 /nfs/dbraw/zinc/09/26/21/559092621.db2.gz LDMYAQZOTOVPPT-LJQANCHMSA-N 1 0 421.545 2.206 40 0 HEABRO CN1C(=O)[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2C12CCN(C(=O)Cc1ccccc1)CC2 ZINC000096143576 559096044 /nfs/dbraw/zinc/09/60/44/559096044.db2.gz JEEJPRMSVQWIFQ-FCHUYYIVSA-N 1 0 418.541 2.206 40 0 HEABRO COCC[NH+]1CCN(c2ccc3ccc(C(=O)NCCc4ccncc4)cn32)CC1 ZINC000096155909 559099930 /nfs/dbraw/zinc/09/99/30/559099930.db2.gz QWHCIHVKNFUYTQ-UHFFFAOYSA-N 1 0 407.518 2.075 40 0 HEABRO Cc1cc(C)cc(O[C@H]2C[N@H+](Cc3ccc(OCCOCCO)cc3)C[C@@H]2O)c1 ZINC000585268732 559113661 /nfs/dbraw/zinc/11/36/61/559113661.db2.gz XNGZGKZYYOXTGC-GOTSBHOMSA-N 1 0 401.503 2.315 40 0 HEABRO CCOC(=O)N1CCC([N@@H+]2CCOC[C@](O)(COc3cc(F)cc(F)c3)C2)CC1 ZINC000585283005 559120319 /nfs/dbraw/zinc/12/03/19/559120319.db2.gz OJUSTMCFVDILHM-FQEVSTJZSA-N 1 0 414.449 2.028 40 0 HEABRO O=C(CCc1ccccc1)N1CC[C@H](O)[C@@](O)(C[NH2+]CCc2ccc(Cl)cc2)C1 ZINC000585285079 559121437 /nfs/dbraw/zinc/12/14/37/559121437.db2.gz NUVMHEIYARVXIW-JTHBVZDNSA-N 1 0 416.949 2.429 40 0 HEABRO O=C(CCc1ccccc1)N1CC[C@@H](O)[C@](O)(C[NH2+]Cc2ccc(Cl)cc2)C1 ZINC000585286253 559121826 /nfs/dbraw/zinc/12/18/26/559121826.db2.gz PMEXJOWRWDXWCN-IRLDBZIGSA-N 1 0 402.922 2.387 40 0 HEABRO C[NH+]1CCC(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2)CC1 ZINC000113949491 559182826 /nfs/dbraw/zinc/18/28/26/559182826.db2.gz UVIVMCKEGXNNBY-UHFFFAOYSA-N 1 0 413.971 2.092 40 0 HEABRO CN1CC[NH+]([C@H]2CC[C@](CNC(=O)c3cccnc3)(c3ccccc3)CC[C@@H]2O)CC1 ZINC000257323179 559283182 /nfs/dbraw/zinc/28/31/82/559283182.db2.gz WJAYNENQFJDSHZ-LSQMVHIFSA-N 1 0 422.573 2.300 40 0 HEABRO COCc1cc(C[C@H]2C[NH2+]CC[C@H]2CC(=O)N2CCN(c3ccccc3)CC2)no1 ZINC000015673419 560230653 /nfs/dbraw/zinc/23/06/53/560230653.db2.gz UGOXKGYILQQDIL-OALUTQOASA-N 1 0 412.534 2.328 40 0 biogenic,in-vitro HEABRO Cc1ccnc(SCc2cc(=O)[nH]c(N3CC[NH+](Cc4ccccc4)CC3)n2)n1 ZINC000013639800 560826223 /nfs/dbraw/zinc/82/62/23/560826223.db2.gz LVBQHUTUNMAQLV-UHFFFAOYSA-N 1 0 408.531 2.483 40 0 HEABRO CC[NH+]1CCN([C@H](c2nnnn2Cc2ccc3c(c2)OCO3)c2ccccc2)CC1 ZINC000019528062 560874699 /nfs/dbraw/zinc/87/46/99/560874699.db2.gz MEAANEKLVHGUIE-NRFANRHFSA-N 1 0 406.490 2.177 40 0 HEABRO C[NH+]1CCN(CCCNC(=O)CSCc2ccccc2Br)CC1 ZINC000022829350 568499799 /nfs/dbraw/zinc/49/97/99/568499799.db2.gz FKDZCDKPNDYMRQ-UHFFFAOYSA-N 1 0 400.386 2.436 40 0 HEABRO CS(=O)(=O)c1ccc(S(=O)(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000224636650 568589830 /nfs/dbraw/zinc/58/98/30/568589830.db2.gz YBRHRPJOYFTQRF-UHFFFAOYSA-N 1 0 408.545 2.164 40 0 HEABRO CS(=O)(=O)N(CC(=O)NCc1ccccc1C[NH+]1CCCC1)Cc1ccccc1 ZINC000224803105 568597641 /nfs/dbraw/zinc/59/76/41/568597641.db2.gz WANPYMWTJIVUDZ-UHFFFAOYSA-N 1 0 415.559 2.360 40 0 HEABRO CCS(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000224848968 568600262 /nfs/dbraw/zinc/60/02/62/568600262.db2.gz DHNSJAGOCCUDEB-HXUWFJFHSA-N 1 0 407.580 2.350 40 0 HEABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000260759360 568737734 /nfs/dbraw/zinc/73/77/34/568737734.db2.gz AUKPGNMGZYGXSV-KRWDZBQOSA-N 1 0 411.568 2.232 40 0 HEABRO C[C@@H](C(=O)NCCC[N@@H+]1CCC[C@H](C)C1)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000260836826 568741099 /nfs/dbraw/zinc/74/10/99/568741099.db2.gz AAAQDQHDVUSGHM-GJZGRUSLSA-N 1 0 417.522 2.358 40 0 HEABRO CNC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000257212722 568779846 /nfs/dbraw/zinc/77/98/46/568779846.db2.gz CERDGPYPEPTHTA-QHCPKHFHSA-N 1 0 410.518 2.191 40 0 HEABRO O=C(NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCC(O)CC2)CC1)c1ccon1 ZINC000257288985 568801189 /nfs/dbraw/zinc/80/11/89/568801189.db2.gz PWNCJLRLJLVYGD-FUDKSRODSA-N 1 0 413.518 2.103 40 0 HEABRO O=C1CCCC[C@]2(C[N@H+](Cc3ccnc(N4CCOCC4)n3)C[C@H]2c2ccccc2)N1 ZINC000257302739 568805179 /nfs/dbraw/zinc/80/51/79/568805179.db2.gz SECWXSLXCYOBHC-XUZZJYLKSA-N 1 0 421.545 2.342 40 0 HEABRO C[N@@H+]1CCN(C(=O)C(C)(c2ccccc2)c2ccccc2)C[C@@](O)(Cn2cccn2)C1 ZINC000257327369 568812408 /nfs/dbraw/zinc/81/24/08/568812408.db2.gz XBBWXRVHADDXNX-RUZDIDTESA-N 1 0 418.541 2.394 40 0 HEABRO CS(=O)(=O)N1CCCC[C@@H]1c1nnc(C2CC[NH+](Cc3ccccn3)CC2)o1 ZINC000257327936 568812640 /nfs/dbraw/zinc/81/26/40/568812640.db2.gz XDKZWLOZVXSCCN-QGZVFWFLSA-N 1 0 405.524 2.331 40 0 HEABRO Cc1cnc(C(=O)NC[C@]2(c3ccccc3)CC[C@H](O)[C@@H]([NH+]3CCOCC3)CC2)cn1 ZINC000257339661 568815970 /nfs/dbraw/zinc/81/59/70/568815970.db2.gz ZCRAGMKJVYFELT-WPFOTENUSA-N 1 0 424.545 2.089 40 0 HEABRO Cc1nc(C)c(C[N@@H+]2CCOC[C@@]3(CC[C@H](CNC(=O)c4cccnc4)O3)C2)s1 ZINC000306124565 568887751 /nfs/dbraw/zinc/88/77/51/568887751.db2.gz BTPXMZVFIMXXJX-WIYYLYMNSA-N 1 0 416.547 2.335 40 0 HEABRO COc1ncccc1C[NH+]1CCC2(CCc3nnc(C(=O)NCC4CC4)n3C2)CC1 ZINC000306130170 568892409 /nfs/dbraw/zinc/89/24/09/568892409.db2.gz IYFNZEZBGXTLAU-UHFFFAOYSA-N 1 0 410.522 2.050 40 0 HEABRO O=C1N(Cc2ccncc2)CCO[C@]12C[N@H+](Cc1ccco1)C[C@@H]2c1cccnc1 ZINC000306132792 568895120 /nfs/dbraw/zinc/89/51/20/568895120.db2.gz LSEZDQOYRQUHQK-GGAORHGYSA-N 1 0 404.470 2.467 40 0 HEABRO O=C(C1CC1)N1CCC2(Cc3nc4c(c(=O)n3C2)C[N@H+](Cc2ccccc2)CC4)CC1 ZINC000306133180 568895308 /nfs/dbraw/zinc/89/53/08/568895308.db2.gz MEESHTXMOGDMBW-UHFFFAOYSA-N 1 0 418.541 2.377 40 0 HEABRO Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@@]32CC[N@H+](Cc3cccc(C)c3)C2)cs1 ZINC000306135481 568897179 /nfs/dbraw/zinc/89/71/79/568897179.db2.gz OSGGDCUMXZOMAZ-JOCHJYFZSA-N 1 0 423.542 2.074 40 0 HEABRO O=C(NCC1CC1)c1nnc2n1CC1(CC2)CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000306138291 568900165 /nfs/dbraw/zinc/90/01/65/568900165.db2.gz RUEQPDLEJQZRTA-UHFFFAOYSA-N 1 0 423.517 2.375 40 0 HEABRO COc1ccc(NC(=O)c2nnc3n2C[C@@H]2C[N@@H+](Cc4ccncc4)C[C@H]2C3)cc1 ZINC000306139304 568901088 /nfs/dbraw/zinc/90/10/88/568901088.db2.gz SUFDIQOYOOXGHX-SJORKVTESA-N 1 0 404.474 2.238 40 0 HEABRO CCOC(=O)[C@@]1(C[NH3+])[C@H](S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccc(OC)cc1 ZINC000242522428 568963568 /nfs/dbraw/zinc/96/35/68/568963568.db2.gz ISKDFYVKIGXWFK-SFHLNBCPSA-N 1 0 403.500 2.452 40 0 HEABRO C[C@@]1(N(CC[NH3+])S(=O)(=O)c2ccc(C3CCCCC3)cc2)CCS(=O)(=O)C1 ZINC000575420177 569025948 /nfs/dbraw/zinc/02/59/48/569025948.db2.gz ACMAFWNIGCCHPE-LJQANCHMSA-N 1 0 414.593 2.261 40 0 HEABRO O=C(Nc1ccc(Cl)cc1)N1CCN(c2cc(N3CCOCC3)cn[nH+]2)CC1 ZINC000224321612 569057371 /nfs/dbraw/zinc/05/73/71/569057371.db2.gz VGUNHTAWPOTZOI-UHFFFAOYSA-N 1 0 402.886 2.321 40 0 HEABRO Cc1ccc(NC(=O)N2CCN(c3cn[nH+]c(N4CCOCC4)c3)CC2)cc1F ZINC000224332034 569058605 /nfs/dbraw/zinc/05/86/05/569058605.db2.gz WEPVHFOQRCRFQW-UHFFFAOYSA-N 1 0 400.458 2.115 40 0 HEABRO C[C@@]12CC[C@@H](C[C@@H]1C(=O)NCC[NH+]1CCCCC1)[C@@]1(C2)NC(=O)c2cccnc2N1 ZINC000253595712 569318322 /nfs/dbraw/zinc/31/83/22/569318322.db2.gz HRJRKHBJKIHOJX-XXXPQLKYSA-N 1 0 411.550 2.362 40 0 HEABRO CCCO[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](c3cc(=O)n4c(n3)CCCCC4)C2)C1 ZINC000019503771 569345722 /nfs/dbraw/zinc/34/57/22/569345722.db2.gz QLUOKWVKBBPIPS-MOPGFXCFSA-N 1 0 416.566 2.177 40 0 HEABRO CN(C)c1cc(CN(C)C(=O)c2ccc3c(c2)OCCO3)nc([C@H]2CCC[NH2+]C2)n1 ZINC000019709673 569348059 /nfs/dbraw/zinc/34/80/59/569348059.db2.gz FIRTYAJKPQDNJT-INIZCTEOSA-N 1 0 411.506 2.053 40 0 HEABRO CC[C@H](C)Nc1nc(N2CCc3ccc(S(N)(=O)=O)cc3C2)cc(C(C)C)[nH+]1 ZINC000329068705 571309468 /nfs/dbraw/zinc/30/94/68/571309468.db2.gz YSGHTSQSSZCNBD-AWEZNQCLSA-N 1 0 403.552 3.021 40 0 HEABRO CC[NH+](CC)[C@H]1[C@@H]2OC[C@@H](O2)[C@@H](NC(=O)Nc2cccc(C(F)(F)F)c2)[C@@H]1O ZINC000012483689 291204252 /nfs/dbraw/zinc/20/42/52/291204252.db2.gz DMRIOZSYCBOUPF-DGXTUMSLSA-N 1 0 403.401 2.022 40 0 biogenic,in-vitro HEABRO O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)Nc3ccccc3)CN21)Nc1ccccc1 ZINC000012530507 291211463 /nfs/dbraw/zinc/21/14/63/291211463.db2.gz PSDMCEUNOMVSPZ-ZCNNSNEGSA-N 1 0 421.501 2.168 40 0 biogenic,in-vitro HEABRO C[NH+](C)CCNc1ncc(-c2ccnc(N3CCOCC3)n2)c(-c2cccs2)n1 ZINC000012325639 132358749 /nfs/dbraw/zinc/35/87/49/132358749.db2.gz QXGZVCWNHAUBHW-UHFFFAOYSA-N 1 0 411.535 2.472 40 0 HEABRO CC(=O)N[C@H]1Cc2ccc(S(=O)(=O)NCCC3CC[NH+](C(C)C)CC3)cc2C1 ZINC000072345774 519701077 /nfs/dbraw/zinc/70/10/77/519701077.db2.gz OXCTXXUGZFBRFM-FQEVSTJZSA-N 1 0 407.580 2.079 40 0 HEABRO O[C@@H](C[NH2+]C[C@H](O)[C@@H]1CCc2cc(F)ccc2O1)[C@@H]1CCc2cc(F)ccc2O1 ZINC000005844792 557677314 /nfs/dbraw/zinc/67/73/14/557677314.db2.gz KOHIRBRYDXPAMZ-GPHNJDIKSA-N 1 0 405.441 2.364 40 0 fda HEABRO COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NCC[NH+]1CCCCC1 ZINC000408701762 557725212 /nfs/dbraw/zinc/72/52/12/557725212.db2.gz FJDAAHUONPKPDQ-UHFFFAOYSA-N 1 0 423.579 2.332 40 0 HEABRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccc(C)cc1 ZINC000408710313 557738030 /nfs/dbraw/zinc/73/80/30/557738030.db2.gz WUPJRTKLQSYZCL-LJQANCHMSA-N 1 0 422.529 2.464 40 0 HEABRO COc1ccccc1N(CC(=O)NCCC[NH+](C)C)S(=O)(=O)c1ccc(C)cc1 ZINC000010111418 557855202 /nfs/dbraw/zinc/85/52/02/557855202.db2.gz ZLIAQAVOPFBVOZ-UHFFFAOYSA-N 1 0 419.547 2.267 40 0 HEABRO O=C(CC1CCN(S(=O)(=O)c2cccc(F)c2)CC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000019748812 558267953 /nfs/dbraw/zinc/26/79/53/558267953.db2.gz DPJHPHVFGMMUNJ-IBGZPJMESA-N 1 0 423.554 2.313 40 0 HEABRO Cc1nc([C@H]2CCCCN2C(=O)c2ccc(N3CC[NH+](C)CC3)cc2)ncc1C(N)=O ZINC000019764551 558277922 /nfs/dbraw/zinc/27/79/22/558277922.db2.gz MCGOVRORGOAAOJ-HXUWFJFHSA-N 1 0 422.533 2.003 40 0 HEABRO C[C@H](C(=O)NCC[NH+](C)C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000013632085 558552483 /nfs/dbraw/zinc/55/24/83/558552483.db2.gz KKFXXDYVLXEESH-MRXNPFEDSA-N 1 0 405.520 2.311 40 0 HEABRO Cc1ccc(Cl)cc1N(CC(=O)NCCC[NH+]1CCCCC1)S(C)(=O)=O ZINC000013671175 558562333 /nfs/dbraw/zinc/56/23/33/558562333.db2.gz MMTCJBGJQAKRMZ-UHFFFAOYSA-N 1 0 401.960 2.407 40 0 HEABRO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000033918920 558772253 /nfs/dbraw/zinc/77/22/53/558772253.db2.gz WFXJDXAYENAAMX-UXLLHSPISA-N 1 0 419.319 2.470 40 0 HEABRO C[C@H](C(=O)N1CCN(Cc2ccccc2)CC1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000038361182 558811268 /nfs/dbraw/zinc/81/12/68/558811268.db2.gz CRFVXGLDNHPFLJ-QGZVFWFLSA-N 1 0 419.522 2.325 40 0 HEABRO O=C(CCN1C(=O)CCC1=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000038372157 558811303 /nfs/dbraw/zinc/81/13/03/558811303.db2.gz IJAISZIIZDMURT-UHFFFAOYSA-N 1 0 405.498 2.459 40 0 HEABRO CC1CC[NH+](CCCNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000017813120 558828120 /nfs/dbraw/zinc/82/81/20/558828120.db2.gz QCRGWUXSNLFVDR-UHFFFAOYSA-N 1 0 401.960 2.199 40 0 HEABRO COCC(=O)Nc1ccc2cnn(CC3(O)CC[NH+](Cc4cccc(C)n4)CC3)c2c1 ZINC000019236159 558855205 /nfs/dbraw/zinc/85/52/05/558855205.db2.gz BXNGYFGCUUNXNH-UHFFFAOYSA-N 1 0 423.517 2.352 40 0 HEABRO Cc1cnc(C(=O)N2CC[C@@H](c3nc4c(c(=O)[nH]3)CC[N@@H+](C3CCCCC3)C4)C2)cn1 ZINC000019238825 558857564 /nfs/dbraw/zinc/85/75/64/558857564.db2.gz IBHKIOHXRJFDHT-MRXNPFEDSA-N 1 0 422.533 2.189 40 0 HEABRO CC(C)NC(=O)[C@@H]1C[C@H](C2CCN(S(=O)(=O)c3cccc(F)c3)CC2)[N@H+](C)C1 ZINC000019449778 558888466 /nfs/dbraw/zinc/88/84/66/558888466.db2.gz LLHCUDZYNQBIEJ-VQIMIIECSA-N 1 0 411.543 2.071 40 0 HEABRO CC(C)NC(=O)[C@H]1C[N@H+](Cc2ccsc2)C[C@@H]1c1ccnc(N2CCOCC2)n1 ZINC000019450177 558888664 /nfs/dbraw/zinc/88/86/64/558888664.db2.gz CGCLHGCVHDXVEN-ROUUACIJSA-N 1 0 415.563 2.115 40 0 HEABRO CC1CCN(c2ncc(C(=O)N(C[C@H]3CCCO3)C3CC[NH+](C)CC3)cn2)CC1 ZINC000019497078 558895972 /nfs/dbraw/zinc/89/59/72/558895972.db2.gz OTVHYSILPMCVQQ-HXUWFJFHSA-N 1 0 401.555 2.428 40 0 HEABRO CCOc1cc(C[N@@H+]2CCc3nc(N4CCOCC4)[nH]c(=O)c3CC2)ccc1OC ZINC000019532111 558912447 /nfs/dbraw/zinc/91/24/47/558912447.db2.gz KQBMZKSRNJHGBH-UHFFFAOYSA-N 1 0 414.506 2.027 40 0 HEABRO COc1ccccc1N1CCN(C(=O)C[N@@H+]2CCC[C@H](Cn3ccnc3C)C2)CC1 ZINC000019658089 558949856 /nfs/dbraw/zinc/94/98/56/558949856.db2.gz UBSBFCJJXQFEBN-FQEVSTJZSA-N 1 0 411.550 2.261 40 0 HEABRO CNc1nc([C@H]2CCCN2S(=O)(=O)c2ccccc2Cl)nc2c1C[NH2+]CC2 ZINC000072372369 558959723 /nfs/dbraw/zinc/95/97/23/558959723.db2.gz BJGMHTWUZPMSKM-OAHLLOKOSA-N 1 0 407.927 2.343 40 0 HEABRO Cc1ccccc1C[NH2+]CCc1nc(N2CCOCC2)ncc1C(=O)N1CCCC1 ZINC000019697821 558965496 /nfs/dbraw/zinc/96/54/96/558965496.db2.gz VZGQSEOAKPSIBB-UHFFFAOYSA-N 1 0 409.534 2.190 40 0 HEABRO Cc1cc(C(=O)Nc2cccc(C[NH+]3CCC(C)CC3)c2)c2c(=O)[nH]c(=O)n(C)c2n1 ZINC000019716348 558978162 /nfs/dbraw/zinc/97/81/62/558978162.db2.gz YXKYPYULWIJZMO-UHFFFAOYSA-N 1 0 421.501 2.414 40 0 HEABRO Cn1cc(C(=O)N2CC[C@]3(C2)C[N@H+](C)C[C@H]3COCc2cccnc2)c(C(F)F)n1 ZINC000585102856 559026283 /nfs/dbraw/zinc/02/62/83/559026283.db2.gz KWMUDBZIHSBDRZ-HRAATJIYSA-N 1 0 419.476 2.363 40 0 HEABRO Cn1ccc(CC(=O)N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC000585102687 559026290 /nfs/dbraw/zinc/02/62/90/559026290.db2.gz GBKYPXKQIWMOCH-ZJSXRUAMSA-N 1 0 423.561 2.135 40 0 HEABRO CN(C)c1ccc(CC(=O)N2CCC3(CO[C@H](C[N@@H+]4CCC[C@H](O)C4)C3)CC2)cc1 ZINC000585104578 559027167 /nfs/dbraw/zinc/02/71/67/559027167.db2.gz QNZZBFPVQGNVDE-VXKWHMMOSA-N 1 0 415.578 2.150 40 0 HEABRO CC(C)CC[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000585105998 559028261 /nfs/dbraw/zinc/02/82/61/559028261.db2.gz BUFWRVQHKWQMLN-UXHICEINSA-N 1 0 419.591 2.075 40 0 HEABRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(C(=O)c3cnccn3)CC2)c2ccccc21 ZINC000096052893 559092659 /nfs/dbraw/zinc/09/26/59/559092659.db2.gz XMZUNEGOUXJPCK-GOSISDBHSA-N 1 0 421.545 2.206 40 0 HEABRO CC[N@@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N(C)C)C1)CCN(S(=O)(=O)c1ccccc1)CC3 ZINC000096143882 559096232 /nfs/dbraw/zinc/09/62/32/559096232.db2.gz RLWJKMLPVVLZPU-SIKLNZKXSA-N 1 0 419.591 2.278 40 0 HEABRO COCC[NH+]1CCN(c2ccc3ccc(C(=O)NCCc4ccccn4)cn32)CC1 ZINC000096155910 559100023 /nfs/dbraw/zinc/10/00/23/559100023.db2.gz BNASQDNLINGAGB-UHFFFAOYSA-N 1 0 407.518 2.075 40 0 HEABRO Cc1ccc(C[NH+]2CCC3(CC2)O[C@H](C(=O)NCc2cccnc2)Cn2ccnc23)o1 ZINC000096243824 559104919 /nfs/dbraw/zinc/10/49/19/559104919.db2.gz RTUULVIAABMYEK-FQEVSTJZSA-N 1 0 421.501 2.386 40 0 HEABRO Cc1ccc(C[NH+]2CCC3(CC2)O[C@@H](C(=O)NCc2cccnc2)Cn2ccnc23)o1 ZINC000096243823 559104927 /nfs/dbraw/zinc/10/49/27/559104927.db2.gz RTUULVIAABMYEK-HXUWFJFHSA-N 1 0 421.501 2.386 40 0 HEABRO C[NH+](C)CCN1[C@]2(CCN(C(=O)c3cccs3)C2)c2ccccc2S1(=O)=O ZINC000096261881 559106191 /nfs/dbraw/zinc/10/61/91/559106191.db2.gz HUJHREYHEBCIHW-IBGZPJMESA-N 1 0 405.545 2.055 40 0 HEABRO CCN1CC[C@@]2(C[N@H+](CC(C)C)CC23CCN(C(=O)c2cc(C)on2)CC3)C1=O ZINC000096262761 559106760 /nfs/dbraw/zinc/10/67/60/559106760.db2.gz XMSNRIIPDBERCN-JOCHJYFZSA-N 1 0 402.539 2.416 40 0 HEABRO COCC[N@@H+]1CC[C@H](c2nnc3ccc(C(=O)NCc4cccc(OC)c4)cn32)C1 ZINC000096267478 559108228 /nfs/dbraw/zinc/10/82/28/559108228.db2.gz YPEKJGILYBMGDH-KRWDZBQOSA-N 1 0 409.490 2.104 40 0 HEABRO O[C@H]1[C@H](Oc2ccccc2)C[C@@H]([NH2+]Cc2ccc(F)cc2)[C@@H]1N1CCC(O)CC1 ZINC000585262409 559110876 /nfs/dbraw/zinc/11/08/76/559110876.db2.gz RHUIXAGGGZPPKX-LUKWVAJMSA-N 1 0 400.494 2.321 40 0 HEABRO COCCOc1cc(C[N@H+](C)C[C@]2(O)CCN(c3ccc(F)cn3)C2)ccc1OC ZINC000585269616 559115472 /nfs/dbraw/zinc/11/54/72/559115472.db2.gz BZZZAOMPBFNOFM-JOCHJYFZSA-N 1 0 419.497 2.328 40 0 HEABRO CCOc1ccccc1OC[C@H](O)C[N@H+](C)Cc1ccc(OCCOCCO)cc1 ZINC000585269871 559116091 /nfs/dbraw/zinc/11/60/91/559116091.db2.gz OADTWTHZJZWBGJ-HXUWFJFHSA-N 1 0 419.518 2.345 40 0 HEABRO COc1ccc(C[NH2+]C[C@@]2(O)CN(C(=O)c3ccc(Cl)cc3)CC[C@@H]2O)cc1 ZINC000585286336 559121950 /nfs/dbraw/zinc/12/19/50/559121950.db2.gz ZAUIJXUOJCUMSJ-PZJWPPBQSA-N 1 0 404.894 2.076 40 0 HEABRO O=C(CCc1ccccc1)N1C[C@@H](O)[C@](O)(C[NH2+]Cc2ccc(C(F)(F)F)cc2)C1 ZINC000585291186 559123604 /nfs/dbraw/zinc/12/36/04/559123604.db2.gz LJUYMJDWIXSYKT-CTNGQTDRSA-N 1 0 422.447 2.362 40 0 HEABRO COc1ccc(C[NH+]2CCC3(CN(c4ncccn4)C[C@]34CCN(C)C4=O)CC2)cc1 ZINC000097952863 559124912 /nfs/dbraw/zinc/12/49/12/559124912.db2.gz XWXIMBXQNZVUFN-DEOSSOPVSA-N 1 0 421.545 2.436 40 0 HEABRO CCN1CC[C@]2(CN(c3ncccn3)CC23CC[NH+](Cc2cccnc2)CC3)C1=O ZINC000097952899 559125083 /nfs/dbraw/zinc/12/50/83/559125083.db2.gz PVDVLSVDAHTSTK-QHCPKHFHSA-N 1 0 406.534 2.213 40 0 HEABRO COC(C)(C)C(=O)NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCOCC2)CC1 ZINC000257315388 559282924 /nfs/dbraw/zinc/28/29/24/559282924.db2.gz VBCSACKXLYFPRV-SXWKCWPCSA-N 1 0 404.551 2.101 40 0 HEABRO O=C(NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H]([NH+]2CCOCC2)CC1)c1cscn1 ZINC000257292657 559285706 /nfs/dbraw/zinc/28/57/06/559285706.db2.gz QMMBEZCFRRUPSC-KCZVDYSFSA-N 1 0 415.559 2.447 40 0 HEABRO COc1ccccc1CN1CC2(C1)C[N@H+](CCc1ccccc1)C[C@H]1C[C@@H](O)CN12 ZINC000514289491 560032638 /nfs/dbraw/zinc/03/26/38/560032638.db2.gz MNAQRQMNXUYEPE-DHIUTWEWSA-N 1 0 407.558 2.243 40 0 biogenic,in-vitro HEABRO CCOc1ccc2[nH]c(=O)c(CN(CC[NH+](C)C)C(=S)NCCCOC)cc2c1 ZINC000004133596 560600655 /nfs/dbraw/zinc/60/06/55/560600655.db2.gz MXWOZHPNJPDITM-UHFFFAOYSA-N 1 0 420.579 2.201 40 0 HEABRO CCCNC(=S)N(CCC[NH+](C)C)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000004216174 560603999 /nfs/dbraw/zinc/60/39/99/560603999.db2.gz FZBIHHYXXWENFM-UHFFFAOYSA-N 1 0 418.563 2.338 40 0 HEABRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[C@H](O)CN1C(=O)Nc1ccccc1 ZINC000004986867 560619346 /nfs/dbraw/zinc/61/93/46/560619346.db2.gz GHVBHXBDUNEJDP-VXKWHMMOSA-N 1 0 422.529 2.435 40 0 HEABRO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 ZINC000101498975 560728701 /nfs/dbraw/zinc/72/87/01/560728701.db2.gz WDKZIRCIAYUKBA-OTWHNJEPSA-N 1 0 407.580 2.372 40 0 HEABRO C[NH+]1CCC(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000219142202 568487210 /nfs/dbraw/zinc/48/72/10/568487210.db2.gz DQKMVWXBOILNLT-UHFFFAOYSA-N 1 0 423.485 2.371 40 0 HEABRO OC[C@H]1[C@H](O)C[C@@H]([NH2+]Cc2cccnc2)[C@@H]1Cc1ccnc(COc2ccccc2)n1 ZINC000604382619 568489531 /nfs/dbraw/zinc/48/95/31/568489531.db2.gz VAFISSNGLJRUHO-SSGKUCQKSA-N 1 0 420.513 2.141 40 0 biogenic,in-vitro HEABRO CSc1ccc(S(=O)(=O)N(C)CC(=O)NCCC[NH+]2CCC(C)CC2)cc1 ZINC000222718865 568524559 /nfs/dbraw/zinc/52/45/59/568524559.db2.gz RTRRTFXKMTWHSF-UHFFFAOYSA-N 1 0 413.609 2.267 40 0 HEABRO COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCC[NH+](C)C)cc2C)cc1 ZINC000224225807 568574297 /nfs/dbraw/zinc/57/42/97/568574297.db2.gz CTCXKFKKHMBYLQ-UHFFFAOYSA-N 1 0 405.520 2.120 40 0 HEABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)CN(C)S(=O)(=O)c1ccc(OC)cc1 ZINC000224537031 568584104 /nfs/dbraw/zinc/58/41/04/568584104.db2.gz QHGMJRMVYGXTMD-QGZVFWFLSA-N 1 0 411.568 2.087 40 0 HEABRO CS(=O)(=O)N(CC(=O)NCc1cccc(C[NH+]2CCCC2)c1)Cc1ccccc1 ZINC000224639046 568589923 /nfs/dbraw/zinc/58/99/23/568589923.db2.gz WGRAULZRUGKROG-UHFFFAOYSA-N 1 0 415.559 2.360 40 0 HEABRO CCS(=O)(=O)N1CCC[C@@H](C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000224695000 568592496 /nfs/dbraw/zinc/59/24/96/568592496.db2.gz PZAZWAQCWNVHFN-HXUWFJFHSA-N 1 0 407.580 2.350 40 0 HEABRO O=C(NCCC[NH+]1CCCCC1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000225534131 568648365 /nfs/dbraw/zinc/64/83/65/568648365.db2.gz UBBDHIGZZBIPAF-KRWDZBQOSA-N 1 0 411.543 2.219 40 0 HEABRO CN([C@H](C(=O)NCCC[N@@H+]1CCc2ccccc2C1)c1ccccc1)S(C)(=O)=O ZINC000260764122 568738024 /nfs/dbraw/zinc/73/80/24/568738024.db2.gz JWDVTAHULBMFGW-NRFANRHFSA-N 1 0 415.559 2.184 40 0 HEABRO C[C@@H]1CCC[N@H+](CCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)C1 ZINC000260899541 568743220 /nfs/dbraw/zinc/74/32/20/568743220.db2.gz LYOBYWQBNPDLNC-MOPGFXCFSA-N 1 0 407.580 2.326 40 0 HEABRO Nc1nc(CCC(=O)N2CCC[C@](O)(C[N@@H+]3CCc4ccccc4C3)CC2)cs1 ZINC000257225992 568783714 /nfs/dbraw/zinc/78/37/14/568783714.db2.gz FIRUYBLWXBAEIR-JOCHJYFZSA-N 1 0 414.575 2.460 40 0 HEABRO NC(=O)[C@@H]1CN(Cc2ccccc2)CCN1CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000257233486 568785827 /nfs/dbraw/zinc/78/58/27/568785827.db2.gz GPMLRZZLUIQXJG-SFHVURJKSA-N 1 0 420.435 2.316 40 0 HEABRO O=C(C[NH+]1CCCCCC1)N1CCNC(=O)[C@@H]1Cc1ccc(-c2cccnc2)cc1 ZINC000257248031 568789715 /nfs/dbraw/zinc/78/97/15/568789715.db2.gz JBSUFRBTPFQTCL-QFIPXVFZSA-N 1 0 406.530 2.494 40 0 HEABRO Cc1cc(C(=O)N2CCC[C@](O)(C[N@H+](C)Cc3ccc(F)cc3)CC2)[nH]c(=O)n1 ZINC000257252596 568791124 /nfs/dbraw/zinc/79/11/24/568791124.db2.gz JVIIVFKXJDFWQT-OAQYLSRUSA-N 1 0 402.470 2.119 40 0 HEABRO CN1C(=O)C2(CCN(C(=O)CC[NH+]3CCCCC3)CC2)C[C@@H](O)[C@@H]1c1ccccc1 ZINC000257302566 568805012 /nfs/dbraw/zinc/80/50/12/568805012.db2.gz SDKIFLACSXAVQF-IRLDBZIGSA-N 1 0 413.562 2.436 40 0 HEABRO O=C(NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H]([NH+]2CCOCC2)CC1)c1cncs1 ZINC000257302305 568805043 /nfs/dbraw/zinc/80/50/43/568805043.db2.gz SCKORYOGSRTCQY-WOIUINJBSA-N 1 0 415.559 2.447 40 0 HEABRO CC(C)[NH+]1CCC(C(=O)N2CC[C@H](Oc3ccc(F)cc3)[C@@H](CC(N)=O)C2)CC1 ZINC000257343362 568817095 /nfs/dbraw/zinc/81/70/95/568817095.db2.gz ZSOXXAQZWVTCGJ-PXNSSMCTSA-N 1 0 405.514 2.417 40 0 HEABRO Cc1ccc(N2C(=O)C[C@H](N(Cc3ccccc3)C(=O)CSC(N)=[NH2+])C2=O)cc1 ZINC000261526870 568821167 /nfs/dbraw/zinc/82/11/67/568821167.db2.gz NUIHUEPHKUXFDQ-KRWDZBQOSA-N 1 0 410.499 2.282 40 0 HEABRO Cc1ccc(C[N@@H+]2CC[C@@]3(C2)Cn2c(nn(C4CCCC4)c(=O)c2=O)CO3)s1 ZINC000306123809 568886890 /nfs/dbraw/zinc/88/68/90/568886890.db2.gz AXMWTJWPWACBEZ-HXUWFJFHSA-N 1 0 402.520 2.065 40 0 HEABRO CC(C)n1cc(C[N@@H+]2C[C@@H]3Cn4c(nnc4C(=O)NCc4ccccc4)C[C@@H]3C2)cn1 ZINC000306127278 568890025 /nfs/dbraw/zinc/89/00/25/568890025.db2.gz FTYWOYQVZZJNBH-WOJBJXKFSA-N 1 0 419.533 2.290 40 0 HEABRO Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCO[C@@]2(CCCC[C@H]2[NH+]2CCCC2)C1 ZINC000306128458 568891131 /nfs/dbraw/zinc/89/11/31/568891131.db2.gz HAVWAOMBYRDTNU-QAPCUYQASA-N 1 0 416.975 2.180 40 0 HEABRO CCn1cc(C[N@@H+]2C[C@@H](c3cn(C(C)C)cn3)[C@]3(CCN(CCOC)C3=O)C2)cn1 ZINC000306131463 568893720 /nfs/dbraw/zinc/89/37/20/568893720.db2.gz KFHHDUKEZGUQSN-UGKGYDQZSA-N 1 0 414.554 2.145 40 0 HEABRO CC(C)NC(=O)C1=NO[C@]2(C1)CN(C(=O)C1CCC1)CC[C@@H]2[NH2+]Cc1ccccc1 ZINC000306132119 568894323 /nfs/dbraw/zinc/89/43/23/568894323.db2.gz KZEKREXTPHJBTB-NZQKXSOJSA-N 1 0 412.534 2.217 40 0 HEABRO Cc1cn2c(ncc(C(=O)N3CCO[C@]4(CCCC[C@H]4[NH+]4CCCC4)C3)c2=O)s1 ZINC000306137733 568899654 /nfs/dbraw/zinc/89/96/54/568899654.db2.gz REOOPRHAUYYKKO-DYESRHJHSA-N 1 0 416.547 2.314 40 0 HEABRO O=C1N(Cc2ccncc2)CCO[C@@]12C[N@H+](Cc1ccccn1)C[C@H]2c1cccnc1 ZINC000306141368 568903034 /nfs/dbraw/zinc/90/30/34/568903034.db2.gz VTDSFOBHQAYXQL-LADGPHEKSA-N 1 0 415.497 2.269 40 0 HEABRO COc1ncccc1C[N@@H+]1CCC[C@@H](c2nc3ccc(N4CCOCC4)cn3n2)C1 ZINC000306141807 568903246 /nfs/dbraw/zinc/90/32/46/568903246.db2.gz WGVDWZJVZYGVKJ-QGZVFWFLSA-N 1 0 408.506 2.349 40 0 HEABRO CCOC(=O)[C@]1(C[NH3+])[C@@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218107514 568925701 /nfs/dbraw/zinc/92/57/01/568925701.db2.gz ISKDFYVKIGXWFK-IRFCIJBXSA-N 1 0 403.500 2.452 40 0 HEABRO CCOC(=O)[C@]1(C[NH3+])[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218167167 568926883 /nfs/dbraw/zinc/92/68/83/568926883.db2.gz VZNMCNOMUINIOL-SVFBPWRDSA-N 1 0 417.483 2.172 40 0 HEABRO Cc1ccc(N(CC(=O)NCCC[NH+]2CCCCC2)S(C)(=O)=O)cc1Cl ZINC000010278042 569343203 /nfs/dbraw/zinc/34/32/03/569343203.db2.gz WVUCWVZFIFPGNT-UHFFFAOYSA-N 1 0 401.960 2.407 40 0 HEABRO C[C@H]1C[C@@H]1C(=O)N1CCC(N2C(=O)NC3(CC[NH+](Cc4ccccc4)CC3)C2=O)CC1 ZINC000019699466 569346934 /nfs/dbraw/zinc/34/69/34/569346934.db2.gz GKJXCGGXJQJDDX-PXNSSMCTSA-N 1 0 424.545 2.220 40 0 HEABRO C[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](N2C(=O)NC3(CC[NH+](Cc4ccccc4)CC3)C2=O)C1 ZINC000019699858 569347088 /nfs/dbraw/zinc/34/70/88/569347088.db2.gz YOZQFRRGZLGRGO-MISYRCLQSA-N 1 0 424.545 2.220 40 0 HEABRO CC[NH+]1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)CCc3ccccc3)C1)C2=O ZINC000019699912 569347139 /nfs/dbraw/zinc/34/71/39/569347139.db2.gz GGWOQYZYCLOOSP-LJQANCHMSA-N 1 0 412.534 2.017 40 0 HEABRO CN1CCN(c2ccc(-c3noc([C@@H]4CCCN4C4CC[NH+](C)CC4)n3)cn2)CC1 ZINC000049155128 291205338 /nfs/dbraw/zinc/20/53/38/291205338.db2.gz MHVGJTWGRXDMEF-IBGZPJMESA-N 1 0 411.554 2.115 40 0 biogenic,in-vitro HEABRO COCCOc1cc(-c2noc([C@@H]3CCC[N@@H+]3C3CCN(C(C)=O)CC3)n2)ccn1 ZINC000035424756 291206445 /nfs/dbraw/zinc/20/64/45/291206445.db2.gz YYVQRTXIAKDDKA-SFHVURJKSA-N 1 0 415.494 2.305 40 0 biogenic,in-vitro HEABRO COc1ccc(C[NH+]2CCC(O)(c3csc(CN4CC[C@@H](O)C4)n3)CC2)cc1 ZINC000225464769 291208273 /nfs/dbraw/zinc/20/82/73/291208273.db2.gz SXHADMWWDILJIB-QGZVFWFLSA-N 1 0 403.548 2.202 40 0 biogenic,in-vitro HEABRO Cc1noc(C)c1C[NH2+]C[C@@]1(COc2ccc(C(F)(F)F)cn2)C[C@@H](O)[C@@H](O)C1 ZINC000107430410 291210995 /nfs/dbraw/zinc/21/09/95/291210995.db2.gz KALWLONBQHGPJV-ALXJQNPVSA-N 1 0 415.412 2.376 40 0 biogenic,in-vitro HEABRO COc1ccc(NC(=O)c2cnc([C@H]3CCN(C(=O)C[NH+]4CCCC4)C3)nc2C)cc1 ZINC000019766241 524650088 /nfs/dbraw/zinc/65/00/88/524650088.db2.gz ABTYAUZFKDVOHZ-KRWDZBQOSA-N 1 0 423.517 2.458 40 0 HEABRO CSc1cccc(NC(=O)NC[C@H]2C[C@@H]3CCN2C[C@@H]3C[NH+]2CCN(C)CC2)c1 ZINC000022926974 526126446 /nfs/dbraw/zinc/12/64/46/526126446.db2.gz WUZFLECBPDGKIK-CMKODMSKSA-N 1 0 417.623 2.488 40 0 biogenic,in-vitro HEABRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccccc1C ZINC000408709035 557737073 /nfs/dbraw/zinc/73/70/73/557737073.db2.gz OHZBLNQBXRBQOL-LJQANCHMSA-N 1 0 422.529 2.464 40 0 HEABRO CCCN1CCCc2cc(-c3cncn3CC[NH2+][C@H]3CCS(=O)(=O)C3)ccc21 ZINC000019719578 558257913 /nfs/dbraw/zinc/25/79/13/558257913.db2.gz WVSMRQZRHWGCFS-IBGZPJMESA-N 1 0 402.564 2.489 40 0 HEABRO C[NH+](C)C[C@@H]1CCCN(C(=O)Cn2cc(C(=O)Nc3ccc(F)cc3)ccc2=O)C1 ZINC000019751331 558271269 /nfs/dbraw/zinc/27/12/69/558271269.db2.gz SYZJBFICBVSTPV-INIZCTEOSA-N 1 0 414.481 2.040 40 0 HEABRO COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000013667845 558560136 /nfs/dbraw/zinc/56/01/36/558560136.db2.gz FUNWTXWFBXDKBM-UHFFFAOYSA-N 1 0 423.579 2.332 40 0 HEABRO Cc1ccc(C2(C[NH+]3CCC(NC(=O)C[C@@H]4CCS(=O)(=O)C4)CC3)CC2)cc1 ZINC000019208345 558847501 /nfs/dbraw/zinc/84/75/01/558847501.db2.gz KIHGZTKSMNLELR-SFHVURJKSA-N 1 0 404.576 2.432 40 0 HEABRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc3c(c(=O)[nH]2)CC[N@@H+](C(C)C)C3)cc1 ZINC000019211451 558848476 /nfs/dbraw/zinc/84/84/76/558848476.db2.gz PPKIQMYAGPDXKE-LJQANCHMSA-N 1 0 416.547 2.371 40 0 HEABRO O=C(Cn1cccn1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](C1CCCCC1)CC2 ZINC000019406039 558884869 /nfs/dbraw/zinc/88/48/69/558884869.db2.gz WTEYBRLYVPQACU-FQEVSTJZSA-N 1 0 424.549 2.411 40 0 HEABRO Cc1nc2[nH]cnn2c(=O)c1CCC(=O)NCC1([NH+]2CCCCC2)CCC(C)CC1 ZINC000019665986 558956033 /nfs/dbraw/zinc/95/60/33/558956033.db2.gz WLZYSMITRPQXKX-UHFFFAOYSA-N 1 0 414.554 2.210 40 0 HEABRO CNc1nc([C@H]2CCC[N@H+](C)C2)nc2c1CN(S(=O)(=O)c1ccc(F)cc1)CC2 ZINC000072372303 558959712 /nfs/dbraw/zinc/95/97/12/558959712.db2.gz APQVMYKYXHWRRT-AWEZNQCLSA-N 1 0 419.526 2.214 40 0 HEABRO NC(=O)C1CCN(C(=O)C[NH+]2CCC(c3ccc(Nc4ccccn4)cn3)CC2)CC1 ZINC000072374220 558961739 /nfs/dbraw/zinc/96/17/39/558961739.db2.gz XDQXILCOXBGRTK-UHFFFAOYSA-N 1 0 422.533 2.124 40 0 HEABRO C[NH+]1CCC(C(=O)N2CCC(c3cc(C(F)(F)F)c4c(n3)CCNC4=O)CC2)CC1 ZINC000072379957 558968021 /nfs/dbraw/zinc/96/80/21/558968021.db2.gz GYUZWAZSFACHLD-UHFFFAOYSA-N 1 0 424.467 2.434 40 0 HEABRO CCc1cc2c(ncn(CC(=O)NC3CC[NH+](Cc4ccccn4)CC3)c2=O)s1 ZINC000019714837 558975158 /nfs/dbraw/zinc/97/51/58/558975158.db2.gz ATRBFMSSIPMBMM-UHFFFAOYSA-N 1 0 411.531 2.196 40 0 HEABRO COC[C@@H]1CC2(C[N@@H+]1Cc1cccnc1)CCN(C(=O)c1nnsc1C)CC2 ZINC000585103593 559025651 /nfs/dbraw/zinc/02/56/51/559025651.db2.gz KHJODKZOOMTDOC-KRWDZBQOSA-N 1 0 401.536 2.385 40 0 HEABRO COc1cc(OC)cc(C(=O)N2CCC3(CO[C@H](C[N@@H+]4CCC[C@H]4CO)C3)CC2)c1 ZINC000585105088 559027536 /nfs/dbraw/zinc/02/75/36/559027536.db2.gz XRJHWGHORJUAQE-RXVVDRJESA-N 1 0 418.534 2.172 40 0 HEABRO C[C@@H]1CC[N@H+](C[C@@H]2CC3(CO2)CCN(C(=O)Cc2ccc(O)cc2)CC3)C[C@H]1O ZINC000585105145 559027576 /nfs/dbraw/zinc/02/75/76/559027576.db2.gz ZKPSCDLRICGUNB-JRGCBEDISA-N 1 0 402.535 2.035 40 0 HEABRO Cn1cncc1C[N@@H+]1CC[C@@H]2[C@@H](CO[C@H]2CC(=O)NCc2cc(F)cc(F)c2)C1 ZINC000585109506 559029385 /nfs/dbraw/zinc/02/93/85/559029385.db2.gz UZMIWURLPLPMTC-YSGRDPCXSA-N 1 0 404.461 2.242 40 0 HEABRO COc1ccc(C[N@@H+]2CCC[C@]3(C(=O)N(C)C)CN(c4ncccn4)C[C@@H]3C2)cc1 ZINC000096056106 559093907 /nfs/dbraw/zinc/09/39/07/559093907.db2.gz ZEDFAZPQSCPEFQ-CVDCTZTESA-N 1 0 409.534 2.292 40 0 HEABRO CCOC(=O)[C@@]12C[N@H+](Cc3cccc(C)n3)C[C@@H]1CN(Cc1cnn(C)c1)CCC2 ZINC000096056077 559093981 /nfs/dbraw/zinc/09/39/81/559093981.db2.gz NZQMNNFGUCXEPQ-REWPJTCUSA-N 1 0 411.550 2.401 40 0 HEABRO COc1cccc(CN2Cc3ccccc3[C@]23CO[C@H](C(=O)NCC[NH+](C)C)C3)c1 ZINC000096143939 559096457 /nfs/dbraw/zinc/09/64/57/559096457.db2.gz JCOMOFLPPAQMMC-UPVQGACJSA-N 1 0 409.530 2.373 40 0 HEABRO COCCN(C)C(=O)c1ncn2c1nccc2C1CC[NH+](Cc2cccnc2)CC1 ZINC000096155701 559099890 /nfs/dbraw/zinc/09/98/90/559099890.db2.gz ZEBKSLFRJWCMMA-UHFFFAOYSA-N 1 0 408.506 2.222 40 0 HEABRO COc1cccc(C[N@@H+]2CCC[C@@]3(CCN(S(=O)(=O)c4cn(C)cn4)C3)C2)c1 ZINC000096215609 559101892 /nfs/dbraw/zinc/10/18/92/559101892.db2.gz OJOYOAGEZLFRMT-HXUWFJFHSA-N 1 0 404.536 2.106 40 0 HEABRO COc1ccccc1C[NH2+][C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCC(O)CC1 ZINC000585262379 559110925 /nfs/dbraw/zinc/11/09/25/559110925.db2.gz GGAUSEAYVQSLQV-AZOUXBGGSA-N 1 0 412.530 2.191 40 0 HEABRO Cn1ccnc1COc1ccc(C[N@H+](C)C[C@@]2(O)CCCN(c3ncccn3)C2)cc1 ZINC000585269899 559116108 /nfs/dbraw/zinc/11/61/08/559116108.db2.gz PBFZPKFJHVMHOK-QHCPKHFHSA-N 1 0 422.533 2.252 40 0 HEABRO O=C(Cc1ccc(Cl)cc1)N1CC[C@](O)(C[NH2+]Cc2cc(F)cc(F)c2)[C@@H](O)C1 ZINC000585283002 559120380 /nfs/dbraw/zinc/12/03/80/559120380.db2.gz AMFPUFKPTUNSAC-FPOVZHCZSA-N 1 0 424.875 2.275 40 0 HEABRO O=C(Cc1ccccc1)N1CC[C@](O)(C[NH2+]CCc2ccccc2Cl)[C@@H](O)C1 ZINC000585290753 559123382 /nfs/dbraw/zinc/12/33/82/559123382.db2.gz WSQVSKAUPTUWAE-UNMCSNQZSA-N 1 0 402.922 2.039 40 0 HEABRO COc1ccc(S(=O)(=O)NC2CC[NH+](C)CC2)cc1C(=O)N1CCCCCC1 ZINC000113939950 559182421 /nfs/dbraw/zinc/18/24/21/559182421.db2.gz INGRQLWJZBQUHB-UHFFFAOYSA-N 1 0 409.552 2.084 40 0 HEABRO C[NH+]1CCC(NC(=O)C2CCN(S(=O)(=O)Cc3cccc(Cl)c3)CC2)CC1 ZINC000113949388 559182786 /nfs/dbraw/zinc/18/27/86/559182786.db2.gz QUUGVYJSGCDJQX-UHFFFAOYSA-N 1 0 413.971 2.092 40 0 HEABRO CCOCCOc1ccc(C[N@@H+]2CCC[C@H]3OC[C@@H](NC(C)=O)[C@](C)(O)C[C@H]32)cc1 ZINC000257206101 559282451 /nfs/dbraw/zinc/28/24/51/559282451.db2.gz BBVSOVVFDGAOOJ-SSGKUCQKSA-N 1 0 420.550 2.111 40 0 HEABRO CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N(CCCC[NH+]1CCN(c3cc[n+]([O-])cc3)CC1)C2=O ZINC000002554330 560585570 /nfs/dbraw/zinc/58/55/70/560585570.db2.gz NGGHDEXGMMOXQL-XXBNENTESA-N 1 0 414.550 2.034 40 0 HEABRO Cc1ccc2cc(CN(CC[NH+](C)C)C(=S)NC[C@H]3CCCO3)c(=O)[nH]c2c1 ZINC000004133455 560600564 /nfs/dbraw/zinc/60/05/64/560600564.db2.gz ITWRDFCWHFGNKN-GOSISDBHSA-N 1 0 402.564 2.254 40 0 HEABRO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 ZINC000101498977 560728676 /nfs/dbraw/zinc/72/86/76/560728676.db2.gz WDKZIRCIAYUKBA-CEXWTWQISA-N 1 0 407.580 2.372 40 0 HEABRO COC(=O)c1cc(C(=O)OC)cc(-c2ccc(C[NH2+]CCCN3CCOCC3)o2)c1 ZINC000007540550 560751611 /nfs/dbraw/zinc/75/16/11/560751611.db2.gz RPBINJCJPDWEET-UHFFFAOYSA-N 1 0 416.474 2.332 40 0 HEABRO COc1ccc(N([C@@H](C)C(=O)NCCC[NH+]2CCCC2)S(C)(=O)=O)cc1Cl ZINC000010450175 560769791 /nfs/dbraw/zinc/76/97/91/560769791.db2.gz OOMFYXDAWNSQDV-AWEZNQCLSA-N 1 0 417.959 2.105 40 0 HEABRO COc1ccc(N([C@H](C)C(=O)NCCC[NH+]2CCC(C)CC2)S(C)(=O)=O)cc1 ZINC000010540609 560769875 /nfs/dbraw/zinc/76/98/75/560769875.db2.gz DEBNTXHCBAGFMR-QGZVFWFLSA-N 1 0 411.568 2.088 40 0 HEABRO CC[NH+]1CCN(CC(=O)Nc2ccc(S(=O)(=O)N3[C@H](C)CCC[C@H]3C)cc2)CC1 ZINC000022920449 568500604 /nfs/dbraw/zinc/50/06/04/568500604.db2.gz WMRJVISAFWRRDB-QZTJIDSGSA-N 1 0 422.595 2.214 40 0 HEABRO O=C(NCCC[NH+]1CCCCCC1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000225506998 568644444 /nfs/dbraw/zinc/64/44/44/568644444.db2.gz MANCNLBDQLIFIE-IBGZPJMESA-N 1 0 407.580 2.470 40 0 HEABRO C[C@@H](C(=O)NCCC[NH+]1CCCCC1)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000225860772 568681530 /nfs/dbraw/zinc/68/15/30/568681530.db2.gz PJVUVVOWPDZZEV-AWEZNQCLSA-N 1 0 403.495 2.112 40 0 HEABRO COc1cccc(O[C@@H]2C[C@@H](NC(=O)c3ccc(C)cn3)[C@H]([NH+]3CCCC3)[C@H]2O)c1 ZINC000257214322 568780195 /nfs/dbraw/zinc/78/01/95/568780195.db2.gz CLOYKBKUJCVWOZ-CZYKHXBRSA-N 1 0 411.502 2.174 40 0 HEABRO COc1ccc(C[N@@H+]2CC[C@H](c3nc(C)c(CC(=O)N4CCOCC4)c(C)n3)C2)cc1 ZINC000257247538 568789403 /nfs/dbraw/zinc/78/94/03/568789403.db2.gz IZKQWTSWNQMTHD-FQEVSTJZSA-N 1 0 424.545 2.493 40 0 HEABRO CS(=O)(=O)N1CCCC[C@H]1c1nnc(C2CC[NH+](Cc3cccnc3)CC2)o1 ZINC000257250867 568790468 /nfs/dbraw/zinc/79/04/68/568790468.db2.gz JOJLLZWUPVGPNT-KRWDZBQOSA-N 1 0 405.524 2.331 40 0 HEABRO COc1ccc(CCNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2c2cccc(CNC(C)=O)c2)cc1 ZINC000257277342 568797640 /nfs/dbraw/zinc/79/76/40/568797640.db2.gz NXPOHZWMTLTCOG-DHIUTWEWSA-N 1 0 409.530 2.335 40 0 HEABRO Cc1cc(N2CC[C@@](O)(CNC(=O)c3ccc(C[NH+]4CCCCC4)cc3)C2)ncn1 ZINC000257282723 568799441 /nfs/dbraw/zinc/79/94/41/568799441.db2.gz OUZSDTQWLVCWSH-HSZRJFAPSA-N 1 0 409.534 2.142 40 0 HEABRO Cc1nc(C(=O)NC[C@]2(c3ccccc3)CC[C@H](O)[C@@H]([NH+]3CCOCC3)CC2)co1 ZINC000257289456 568801201 /nfs/dbraw/zinc/80/12/01/568801201.db2.gz PYSIXVIKCPMDIK-QNWVGRARSA-N 1 0 413.518 2.287 40 0 HEABRO Cc1nccn1[C@@H]1CC[C@@H](NC(=O)C2(Cc3ccccc3F)CC[NH+](C)CC2)[C@H]1O ZINC000257296194 568803274 /nfs/dbraw/zinc/80/32/74/568803274.db2.gz RBQOXIGAUGXHIA-NJDAHSKKSA-N 1 0 414.525 2.466 40 0 HEABRO Cc1ccc(C(=O)N2CCC3(CC2)C[N@H+](C)C[C@@H](C(=O)NCc2ccco2)O3)s1 ZINC000306123058 568886251 /nfs/dbraw/zinc/88/62/51/568886251.db2.gz ADPBEXONMMKHNL-KRWDZBQOSA-N 1 0 417.531 2.271 40 0 HEABRO COc1ccc(NC(=O)c2nnc3n2C[C@@H]2C[N@@H+](Cc4nccs4)C[C@H]2C3)cc1 ZINC000306124427 568887433 /nfs/dbraw/zinc/88/74/33/568887433.db2.gz BPNFUMXSYZETSI-KGLIPLIRSA-N 1 0 410.503 2.300 40 0 HEABRO Cn1cc(C[N@@H+]2C[C@@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccccc2)C3=O)cn1 ZINC000306133913 568895837 /nfs/dbraw/zinc/89/58/37/568895837.db2.gz MZDQKQLFWHTJCB-LADGPHEKSA-N 1 0 417.513 2.212 40 0 HEABRO COC(=O)N1Cc2nnc(-c3cccnc3)n2C2(CC[NH+](Cc3ccncc3)CC2)C1 ZINC000306136100 568897882 /nfs/dbraw/zinc/89/78/82/568897882.db2.gz PIYYNGILLZVIAN-UHFFFAOYSA-N 1 0 419.489 2.308 40 0 HEABRO Cc1ccc(C[N@H+]2CC[C@]3(C2)Cn2c(nnc2C(=O)NCC(C)C)CN3C)cc1C ZINC000306139250 568901102 /nfs/dbraw/zinc/90/11/02/568901102.db2.gz STGGTCXLCMJEHY-QHCPKHFHSA-N 1 0 410.566 2.371 40 0 HEABRO O=C1N(Cc2ccncc2)CCO[C@@]12C[N@H+](Cc1ccccn1)C[C@@H]2c1cccnc1 ZINC000306141367 568902986 /nfs/dbraw/zinc/90/29/86/568902986.db2.gz VTDSFOBHQAYXQL-ISKFKSNPSA-N 1 0 415.497 2.269 40 0 HEABRO O=c1c(=O)n(Cc2cccs2)nc2n1CC[C@]21CC[N@H+](Cc2ccsc2)C1 ZINC000306144130 568905423 /nfs/dbraw/zinc/90/54/23/568905423.db2.gz YWTDISVRBRGEIM-IBGZPJMESA-N 1 0 400.529 2.124 40 0 HEABRO O=C(CN1C(=O)COc2ccccc21)N1CCO[C@@]2(CCCC[C@@H]2[NH+]2CCCC2)C1 ZINC000306144398 568905939 /nfs/dbraw/zinc/90/59/39/568905939.db2.gz ZECFCIYTVDPZMA-REWPJTCUSA-N 1 0 413.518 2.048 40 0 HEABRO CCOC(=O)[C@]1(C[NH3+])[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218107368 568925743 /nfs/dbraw/zinc/92/57/43/568925743.db2.gz ISKDFYVKIGXWFK-SVFBPWRDSA-N 1 0 403.500 2.452 40 0 HEABRO CCc1ccc(S(=O)(=O)N(CCC[NH+](CC)CC)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000575421042 569025761 /nfs/dbraw/zinc/02/57/61/569025761.db2.gz MQCVCXJMAFGPOJ-GOSISDBHSA-N 1 0 416.609 2.159 40 0 HEABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+](C)C)c2ccc(F)cc2)cc1 ZINC000010111376 569342886 /nfs/dbraw/zinc/34/28/86/569342886.db2.gz ZKFRLKFOTSLLJC-UHFFFAOYSA-N 1 0 407.511 2.397 40 0 HEABRO CCC[NH+]1CCC2(CC1)NC(=O)N(C1CCN(C(=O)Cc3ccccc3)CC1)C2=O ZINC000019699344 569346920 /nfs/dbraw/zinc/34/69/20/569346920.db2.gz AJLQRZAWHONXHI-UHFFFAOYSA-N 1 0 412.534 2.017 40 0 HEABRO CCC[NH+]1CCC2(CC1)NC(=O)N(C1CCN(C(=O)C3CCCCC3)CC1)C2=O ZINC000019699343 569346966 /nfs/dbraw/zinc/34/69/66/569346966.db2.gz AQXWFPZGBZHCRE-UHFFFAOYSA-N 1 0 404.555 2.354 40 0 HEABRO CC(=O)N1CC[C@@](Cc2cc(-c3ccccc3)no2)(C(=O)N2CCC[N@@H+](C)CC2)C1 ZINC000019703564 569347556 /nfs/dbraw/zinc/34/75/56/569347556.db2.gz SYWDLHQQVQUTFQ-QHCPKHFHSA-N 1 0 410.518 2.287 40 0 HEABRO Cc1ccc(S(=O)(=O)N(C)Cc2nc([C@@H]3CCC[NH2+]C3)cc(N(C)C)n2)cc1C ZINC000019710041 569428822 /nfs/dbraw/zinc/42/88/22/569428822.db2.gz HYRNXVSXDRFJJD-QGZVFWFLSA-N 1 0 417.579 2.447 40 0 HEABRO Cc1ccc(S(=O)(=O)N(C)Cc2nc([C@H]3CCC[NH2+]C3)cc(N(C)C)n2)cc1C ZINC000019710042 569428920 /nfs/dbraw/zinc/42/89/20/569428920.db2.gz HYRNXVSXDRFJJD-KRWDZBQOSA-N 1 0 417.579 2.447 40 0 HEABRO COc1ccc(OC)c(CC(=O)N(C)Cc2cc(N(C)C)nc([C@@H]3CCC[NH2+]3)n2)c1 ZINC000019760187 569429618 /nfs/dbraw/zinc/42/96/18/569429618.db2.gz ANDYGCUIJQTERG-SFHVURJKSA-N 1 0 413.522 2.185 40 0 HEABRO Cc1cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)nc(NCc2ccccc2)[nH+]1 ZINC000329066609 571306520 /nfs/dbraw/zinc/30/65/20/571306520.db2.gz YCEZSCNVFPMYKV-UHFFFAOYSA-N 1 0 409.515 2.607 40 0 HEABRO CCN(CC)C(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@H]([NH2+]Cc3cccc(Cl)c3)CN21 ZINC000035442314 291204014 /nfs/dbraw/zinc/20/40/14/291204014.db2.gz GMXQHGPHOGMZSY-OTWHNJEPSA-N 1 0 406.958 2.020 40 0 biogenic,in-vitro HEABRO CN(Cc1cn([C@H]2CO[C@H]3[C@@H]2OC[C@@H]3[NH2+]Cc2ccccc2)nn1)Cc1ccccc1 ZINC000006137825 291205343 /nfs/dbraw/zinc/20/53/43/291205343.db2.gz FQPBZZOFKFVYEL-CJRSTVEYSA-N 1 0 419.529 2.407 40 0 biogenic,in-vitro HEABRO CN1CCN(Cc2nc(C3(O)CCN(C(=O)c4ccccc4)CC3)cs2)CC1 ZINC000225472605 291205396 /nfs/dbraw/zinc/20/53/96/291205396.db2.gz KCAXIQPGSIEHSA-UHFFFAOYSA-N 1 0 400.548 2.014 40 0 biogenic,in-vitro HEABRO COCCOc1ccc(-c2noc([C@@H]3CCC[N@@H+]3C3CCN(C(C)=O)CC3)n2)cn1 ZINC000035425370 291206606 /nfs/dbraw/zinc/20/66/06/291206606.db2.gz LZZXHVITSHDVHB-SFHVURJKSA-N 1 0 415.494 2.305 40 0 biogenic,in-vitro HEABRO CC[NH+](CC)CCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1C[C@@]21NC(=O)c2ccc(OC)cc2O1 ZINC000072339213 520680349 /nfs/dbraw/zinc/68/03/49/520680349.db2.gz LMFWRRWMWGNVMT-VCNKVWKBSA-N 1 0 415.534 2.408 40 0 HEABRO CN1C(=O)N(CC(=O)NCc2cccc(C[NH+]3CCCC3)c2)C(=O)C12CCCCC2 ZINC000032464001 523715702 /nfs/dbraw/zinc/71/57/02/523715702.db2.gz LVZWIPLVIWFNSI-UHFFFAOYSA-N 1 0 412.534 2.496 40 0 HEABRO C[C@@H](C(=O)Nc1cc2c(cc1N1CC[NH+](C)CC1)n(C)c(=O)n2C)c1ccccc1 ZINC000408534468 557321242 /nfs/dbraw/zinc/32/12/42/557321242.db2.gz VREOBKODRCKUJJ-MRXNPFEDSA-N 1 0 407.518 2.371 40 0 HEABRO O=S1(=O)CC[C@@H]([NH2+]CCn2cncc2-c2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000019719546 558257995 /nfs/dbraw/zinc/25/79/95/558257995.db2.gz BWHOKXRCXAGHRA-MRXNPFEDSA-N 1 0 405.911 2.166 40 0 HEABRO CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@H]1c1ccc(O)c(OC)c1 ZINC000019818156 558288452 /nfs/dbraw/zinc/28/84/52/558288452.db2.gz FUBZXRVJNCWFDC-PMACEKPBSA-N 1 0 423.469 2.165 40 0 HEABRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)C1 ZINC000020244476 558350994 /nfs/dbraw/zinc/35/09/94/558350994.db2.gz OSSLXEQKYNGJCP-CALCHBBNSA-N 1 0 410.584 2.027 40 0 HEABRO CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@H]1c1ccc(OC)cc1 ZINC000020636762 558396193 /nfs/dbraw/zinc/39/61/93/558396193.db2.gz UZWLBXWFISULRZ-UXHICEINSA-N 1 0 407.470 2.460 40 0 HEABRO CC(C)(C)c1nn(-c2ccccc2)c2[nH]c(=O)c(C[NH2+]CCN3CCOCC3)cc12 ZINC000022913465 558520507 /nfs/dbraw/zinc/52/05/07/558520507.db2.gz LGRABJDVNICZRO-UHFFFAOYSA-N 1 0 409.534 2.433 40 0 HEABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCC[NH+](C)C)c2cc(C)cc(C)c2)cc1 ZINC000013613564 558549217 /nfs/dbraw/zinc/54/92/17/558549217.db2.gz YWBMGISYWBQSHT-UHFFFAOYSA-N 1 0 403.548 2.485 40 0 HEABRO COc1ccc(S(=O)(=O)NCCC[NH+]2CCC(C)CC2)cc1C(=O)N1CCCC1 ZINC000013675031 558563999 /nfs/dbraw/zinc/56/39/99/558563999.db2.gz VIGNIMLYTBQFNU-UHFFFAOYSA-N 1 0 423.579 2.332 40 0 HEABRO CC(C)(CN1CCOCC1)C[N@@H+]1CCc2c([nH]c3cc(-c4ccco4)nn3c2=O)C1 ZINC000019084972 558840942 /nfs/dbraw/zinc/84/09/42/558840942.db2.gz XYGPXOKEEPOJPD-UHFFFAOYSA-N 1 0 411.506 2.411 40 0 HEABRO C[C@H]1CCC[N@H+](CCCNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000047111237 558841820 /nfs/dbraw/zinc/84/18/20/558841820.db2.gz LCQQZUBUUUXDJA-SFHVURJKSA-N 1 0 407.580 2.326 40 0 HEABRO CC(C)COc1cccc(C[N@@H+]2CCc3nc(N4CCOCC4)[nH]c(=O)c3CC2)c1 ZINC000019447375 558886507 /nfs/dbraw/zinc/88/65/07/558886507.db2.gz HAQXGIYBWIKNEB-UHFFFAOYSA-N 1 0 412.534 2.242 40 0 HEABRO COc1cc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)C[N@@H+](C(C)C)CC3)ccn1 ZINC000019448188 558887123 /nfs/dbraw/zinc/88/71/23/558887123.db2.gz RUVHSWXGTJMTKJ-GOSISDBHSA-N 1 0 411.506 2.307 40 0 HEABRO CC(C)NC(=O)[C@H]1C[C@H](C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)[N@H+](C)C1 ZINC000019449772 558888451 /nfs/dbraw/zinc/88/84/51/558888451.db2.gz RBTNXVRBVQECEK-QFBILLFUSA-N 1 0 411.543 2.071 40 0 HEABRO CC(C)NC(=O)[C@@H]1C[C@H](C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)[N@H+](C)C1 ZINC000019449770 558888474 /nfs/dbraw/zinc/88/84/74/558888474.db2.gz RBTNXVRBVQECEK-VQIMIIECSA-N 1 0 411.543 2.071 40 0 HEABRO COc1ccc(C[N@@H+]2C[C@@H](c3cccc(F)c3)[C@]3(C2)COCCC(=O)N3)cc1CO ZINC000019559382 558920735 /nfs/dbraw/zinc/92/07/35/558920735.db2.gz JOGXLXODKRIYQX-REWPJTCUSA-N 1 0 414.477 2.201 40 0 HEABRO COc1ccccc1C[N@@H+]1CCc2nc([C@@H]3CCN(C(=O)C4CC4)C3)[nH]c(=O)c2C1 ZINC000019570566 558929423 /nfs/dbraw/zinc/92/94/23/558929423.db2.gz NJJWZDDZOBYLGF-QGZVFWFLSA-N 1 0 408.502 2.475 40 0 HEABRO CCCc1nn(CC(=O)NC[C@@H]2CCC[N@@H+]2CC)c(=O)c2cc3ccsc3n21 ZINC000072335266 558936201 /nfs/dbraw/zinc/93/62/01/558936201.db2.gz QMMCXOVHOOJYIW-HNNXBMFYSA-N 1 0 401.536 2.264 40 0 HEABRO C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2cccs2)C[C@]12CCc1ccccc1C(=O)N2 ZINC000019583356 558937881 /nfs/dbraw/zinc/93/78/81/558937881.db2.gz XREINJBBTPRDAB-OXQOHEQNSA-N 1 0 419.572 2.045 40 0 HEABRO COCCc1ncc(C[N@@H+]2CCC[C@H](c3cc(=O)[nH]c(N4CCCCC4)n3)C2)cn1 ZINC000019593845 558945143 /nfs/dbraw/zinc/94/51/43/558945143.db2.gz LFYPOIDUTYOSDT-SFHVURJKSA-N 1 0 412.538 2.119 40 0 HEABRO NC(=O)[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C(=O)c2ccccc2)C1 ZINC000072373043 558960826 /nfs/dbraw/zinc/96/08/26/558960826.db2.gz HKCULRPHOXOPES-FSSWDIPSSA-N 1 0 419.525 2.341 40 0 HEABRO CNc1nc(C2CC[NH+](C)CC2)nc2c1CCN(C(=O)c1ccc(NC(C)=O)cc1)C2 ZINC000019707869 558969953 /nfs/dbraw/zinc/96/99/53/558969953.db2.gz IFUOFCFPSHGVGF-UHFFFAOYSA-N 1 0 422.533 2.484 40 0 HEABRO C[NH+]1CCC(C(=O)N2CCC[C@@H]2c2nnc3n2CCN(C(=O)OC(C)(C)C)C3)CC1 ZINC000019707841 558969993 /nfs/dbraw/zinc/96/99/93/558969993.db2.gz ABBZJLHRSJQGHL-MRXNPFEDSA-N 1 0 418.542 2.034 40 0 HEABRO CNc1nc(C2CC[NH+](C)CC2)nc2c1CCN(C(=O)Cc1cccc(OC)c1)C2 ZINC000019710688 558972910 /nfs/dbraw/zinc/97/29/10/558972910.db2.gz OQDPSXDOSYZOKS-UHFFFAOYSA-N 1 0 409.534 2.464 40 0 HEABRO COC[C@H]1CC2(C[N@@H+]1Cc1cccnc1)CCN(C(=O)c1nnsc1C)CC2 ZINC000585103604 559025604 /nfs/dbraw/zinc/02/56/04/559025604.db2.gz KHJODKZOOMTDOC-QGZVFWFLSA-N 1 0 401.536 2.385 40 0 HEABRO CN(C)c1ccc(CC(=O)N2CCC3(CO[C@@H](C[N@@H+]4CCC[C@H](O)C4)C3)CC2)cc1 ZINC000585104576 559027142 /nfs/dbraw/zinc/02/71/42/559027142.db2.gz QNZZBFPVQGNVDE-FCHUYYIVSA-N 1 0 415.578 2.150 40 0 HEABRO CC[C@H](C)C[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000585106125 559028429 /nfs/dbraw/zinc/02/84/29/559028429.db2.gz OHOYIKYSHVDOJG-DBVUQKKJSA-N 1 0 401.526 2.453 40 0 HEABRO CC[C@@H](C)C[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2cc(C3CC3)on2)CC1 ZINC000585106110 559028469 /nfs/dbraw/zinc/02/84/69/559028469.db2.gz MWAYIGHUPJJXSE-OIISXLGYSA-N 1 0 400.523 2.251 40 0 HEABRO CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000585106294 559028731 /nfs/dbraw/zinc/02/87/31/559028731.db2.gz OUOSANMQVNWOLL-QRQLOZEOSA-N 1 0 405.564 2.076 40 0 HEABRO COc1cccc(CN2Cc3ccccc3[C@]23CO[C@@H](C(=O)NCC[NH+](C)C)C3)c1 ZINC000096143940 559096445 /nfs/dbraw/zinc/09/64/45/559096445.db2.gz JCOMOFLPPAQMMC-VWNXMTODSA-N 1 0 409.530 2.373 40 0 HEABRO COc1ccc(C[NH+]2CCC3(CC2)[C@@H]2CN(c4ncccn4)C[C@@H]2C(=O)N3C)cc1 ZINC000096262249 559106344 /nfs/dbraw/zinc/10/63/44/559106344.db2.gz OMZPPVMZBQFOKQ-VQTJNVASSA-N 1 0 407.518 2.044 40 0 HEABRO CCN1CC[C@]2(C[N@H+](CCOC)CC23CCN(C(=O)c2ccc(C)o2)CC3)C1=O ZINC000096262786 559106737 /nfs/dbraw/zinc/10/67/37/559106737.db2.gz JSHDAQNOXXWMSQ-QFIPXVFZSA-N 1 0 403.523 2.011 40 0 HEABRO CCN1CC[C@@]2(C[N@H+](CCOC)CC23CCN(C(=O)c2ccc(C)o2)CC3)C1=O ZINC000096262787 559106776 /nfs/dbraw/zinc/10/67/76/559106776.db2.gz JSHDAQNOXXWMSQ-JOCHJYFZSA-N 1 0 403.523 2.011 40 0 HEABRO OCCOCCOc1ccc(C[N@@H+]2C[C@H](O)[C@@H](Oc3cccc(Cl)c3)C2)cc1 ZINC000585268702 559113028 /nfs/dbraw/zinc/11/30/28/559113028.db2.gz FVWCNRZTDMFUMI-SFTDATJTSA-N 1 0 407.894 2.352 40 0 HEABRO CCOC(=O)N1CCC([N@@H+]2CCOC[C@@](O)(COc3cc(F)cc(F)c3)C2)CC1 ZINC000585283006 559120371 /nfs/dbraw/zinc/12/03/71/559120371.db2.gz OJUSTMCFVDILHM-HXUWFJFHSA-N 1 0 414.449 2.028 40 0 HEABRO CCOCCOc1ccc(C[N@H+](C)C[C@@]2(O)CCCN(c3cnccn3)C2)cc1 ZINC000257308761 559286182 /nfs/dbraw/zinc/28/61/82/559286182.db2.gz TXZLAFHIWDVSLD-QFIPXVFZSA-N 1 0 400.523 2.355 40 0 HEABRO O=C(c1ccccc1)N1C[C@@H]2C[C@@H](O)CN2C2(C[NH+](C3CCC(F)(F)CC3)C2)C1 ZINC000514289447 560032699 /nfs/dbraw/zinc/03/26/99/560032699.db2.gz LGCXOQOFRPVNKL-RBUKOAKNSA-N 1 0 405.489 2.210 40 0 biogenic,in-vitro HEABRO Cc1ccc(C)c2[nH]c(=O)c(CN(CCCO)C(=S)NCCC[NH+](C)C)cc12 ZINC000004132880 560600093 /nfs/dbraw/zinc/60/00/93/560600093.db2.gz JDUOZPAEKTXBCY-UHFFFAOYSA-N 1 0 404.580 2.156 40 0 HEABRO C[NH+](C)CCCNC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O ZINC000010111398 560763783 /nfs/dbraw/zinc/76/37/83/560763783.db2.gz JNHKRGNCWIBZDC-UHFFFAOYSA-N 1 0 415.865 2.193 40 0 HEABRO C[C@H](C(=O)NCCC[NH+]1CCCCC1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000010278811 560766482 /nfs/dbraw/zinc/76/64/82/560766482.db2.gz KLXSXTFONIUGBU-OAHLLOKOSA-N 1 0 401.960 2.487 40 0 HEABRO Cc1ccc(Cl)cc1N([C@@H](C)C(=O)NCCC[NH+]1CCCC1)S(C)(=O)=O ZINC000010450173 560769762 /nfs/dbraw/zinc/76/97/62/560769762.db2.gz XQNKJXOVMISBOQ-HNNXBMFYSA-N 1 0 401.960 2.405 40 0 HEABRO COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCCC[NH+]1CCCCC1 ZINC000010279697 560788675 /nfs/dbraw/zinc/78/86/75/560788675.db2.gz RAAWJLOQYWGFRJ-UHFFFAOYSA-N 1 0 409.552 2.086 40 0 HEABRO 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 560884279 /nfs/dbraw/zinc/88/42/79/560884279.db2.gz JKOAALIAIJEOTA-GVIRJEMTSA-N 1 0 421.541 2.342 40 0 HEABRO COc1cc(CNCC[NH2+]CCO)cc(Br)c1OCc1cccnc1 ZINC000022107414 568475366 /nfs/dbraw/zinc/47/53/66/568475366.db2.gz YLIDERMJWJCRMO-UHFFFAOYSA-N 1 0 410.312 2.103 40 0 HEABRO CCN(Cc1ccc(C(=O)NCC[NH+](C)C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000224457896 568581819 /nfs/dbraw/zinc/58/18/19/568581819.db2.gz BTELKSAUSYNIQW-UHFFFAOYSA-N 1 0 403.548 2.497 40 0 HEABRO O=C(NCCC[NH+]1CCCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000225548050 568649935 /nfs/dbraw/zinc/64/99/35/568649935.db2.gz HJPXTUCEQYDBRE-MRXNPFEDSA-N 1 0 413.971 2.343 40 0 HEABRO C[C@H](C(=O)NCCC[N@@H+]1CCC[C@@H](C)C1)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000260836829 568741151 /nfs/dbraw/zinc/74/11/51/568741151.db2.gz AAAQDQHDVUSGHM-HUUCEWRRSA-N 1 0 417.522 2.358 40 0 HEABRO CN1CCN(c2ncc3c(n2)[C@]2(CC[N@H+](Cc4ccc5c(c4)CCC5)C2)COC3)CC1 ZINC000248100906 568747333 /nfs/dbraw/zinc/74/73/33/568747333.db2.gz DVHSOGHZCYGPLB-VWLOTQADSA-N 1 0 419.573 2.391 40 0 HEABRO COc1ccc(C[N@H+](C)C[C@@]2(O)CCCN(C(=O)Cc3c(C)n[nH]c3C)CC2)cc1 ZINC000257208056 568778611 /nfs/dbraw/zinc/77/86/11/568778611.db2.gz BKMVSPWZEUOBQL-HSZRJFAPSA-N 1 0 414.550 2.453 40 0 HEABRO CC(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N(C)C(=O)C2CC[NH+](C)CC2)CC1 ZINC000257214026 568780167 /nfs/dbraw/zinc/78/01/67/568780167.db2.gz CKFCYIANTALQFU-CQOQZXRMSA-N 1 0 415.578 2.164 40 0 HEABRO C[C@@]12C[C@H]3[C@H](Cc4ccccc4)[NH2+][C@@H]1CCCC[C@@H]2N3C(=O)Cn1ccc(=O)[nH]c1=O ZINC000257260258 568792933 /nfs/dbraw/zinc/79/29/33/568792933.db2.gz LCAPKAHPEHINJH-BPJSAFFHSA-N 1 0 422.529 2.082 40 0 HEABRO CS(=O)(=O)N1CCCC[C@H]1c1nnc(C2CC[NH+](Cc3ccccn3)CC2)o1 ZINC000257327935 568812615 /nfs/dbraw/zinc/81/26/15/568812615.db2.gz XDKZWLOZVXSCCN-KRWDZBQOSA-N 1 0 405.524 2.331 40 0 HEABRO Cc1ccc(C[N@@H+]2C[C@H]3Cn4c(nn(Cc5ccc(C)cc5)c(=O)c4=O)[C@@H]3C2)s1 ZINC000306125451 568888251 /nfs/dbraw/zinc/88/82/51/568888251.db2.gz CRFJFHMVYDEZMU-PKOBYXMFSA-N 1 0 408.527 2.361 40 0 HEABRO CC(C)n1cc(C[N@H+]2C[C@@H]3Cc4nnc(C(=O)NCc5ccccc5)n4C[C@H]3C2)cn1 ZINC000306127277 568889989 /nfs/dbraw/zinc/88/99/89/568889989.db2.gz FTYWOYQVZZJNBH-VQTJNVASSA-N 1 0 419.533 2.290 40 0 HEABRO COCCN1CC[C@]2(C[N@H+](Cc3nccs3)C[C@H]2c2cn(C(C)C)cn2)C1=O ZINC000306128328 568891216 /nfs/dbraw/zinc/89/12/16/568891216.db2.gz GXJPQWJAFYEERE-OXJNMPFZSA-N 1 0 403.552 2.385 40 0 HEABRO CC[NH+](CC)CCNC(=O)c1nc([C@H]2CCCN2C(=O)N(C)C)n2ccccc12 ZINC000306131527 568893635 /nfs/dbraw/zinc/89/36/35/568893635.db2.gz KHTXVPNGCBPHGX-QGZVFWFLSA-N 1 0 400.527 2.224 40 0 HEABRO O=C(NCC1CC1)[C@]12CN(c3ncccn3)C[C@@H]1C[N@H+](Cc1cccnc1)CCC2 ZINC000306133034 568895115 /nfs/dbraw/zinc/89/51/15/568895115.db2.gz LZTFWMNOCHPQIH-NZQKXSOJSA-N 1 0 406.534 2.116 40 0 HEABRO COc1ncccc1C[N@@H+]1CCC[C@H](c2nc3ccc(N4CCOCC4)cn3n2)C1 ZINC000306141806 568903232 /nfs/dbraw/zinc/90/32/32/568903232.db2.gz WGVDWZJVZYGVKJ-KRWDZBQOSA-N 1 0 408.506 2.349 40 0 HEABRO O=C1N(Cc2cccnc2)CCO[C@@]12C[N@H+](Cc1ccco1)C[C@H]2c1cccnc1 ZINC000306142993 568904702 /nfs/dbraw/zinc/90/47/02/568904702.db2.gz XQBGGIKSYJMMEF-JTHBVZDNSA-N 1 0 404.470 2.467 40 0 HEABRO O=C1N(Cc2cccnc2)CCO[C@]12C[N@H+](Cc1ccco1)C[C@@H]2c1cccnc1 ZINC000306142991 568904757 /nfs/dbraw/zinc/90/47/57/568904757.db2.gz XQBGGIKSYJMMEF-GGAORHGYSA-N 1 0 404.470 2.467 40 0 HEABRO Cc1ncsc1C[N@@H+]1C[C@@H]2Cn3c(nnc3C(=O)NCc3ccccc3)C[C@@H]2C1 ZINC000306143528 568904827 /nfs/dbraw/zinc/90/48/27/568904827.db2.gz YEQICXSMTWMIGI-IAGOWNOFSA-N 1 0 408.531 2.277 40 0 HEABRO COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCC[NH+](C)C)cc2)cc1 ZINC000010111447 569342879 /nfs/dbraw/zinc/34/28/79/569342879.db2.gz GEFCXOSFZWPTLE-UHFFFAOYSA-N 1 0 405.520 2.202 40 0 HEABRO CCC[NH+]1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)c3ccc(C)s3)C1)C2=O ZINC000019699938 569347122 /nfs/dbraw/zinc/34/71/22/569347122.db2.gz AGBWGHLUKCQYHI-MRXNPFEDSA-N 1 0 418.563 2.458 40 0 HEABRO CCC[NH+]1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)c3cccc(F)c3)C1)C2=O ZINC000019700007 569347131 /nfs/dbraw/zinc/34/71/31/569347131.db2.gz VTGGXGUWCCPUIH-SFHVURJKSA-N 1 0 416.497 2.227 40 0 HEABRO O=C(C1CCC1)N1CCC[C@H](N2C(=O)NC3(CC[NH+](Cc4ccccc4)CC3)C2=O)C1 ZINC000019699869 569347143 /nfs/dbraw/zinc/34/71/43/569347143.db2.gz LLBPUMXSIKQRCR-FQEVSTJZSA-N 1 0 424.545 2.364 40 0 HEABRO C=C1C(C(=O)C=C(O)C(=O)NC23CC4CC(CC(C4)C2)C3)[N+](=O)c2ccccc2N1O ZINC000139263619 569359405 /nfs/dbraw/zinc/35/94/05/569359405.db2.gz RDDBLCVNRAGCOS-UHFFFAOYSA-O 1 0 424.477 2.328 40 0 HEABRO CN1CC[NH+](C[C@H]2CN3CC[C@H]2C[C@@H]3CNC(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000022926951 291205429 /nfs/dbraw/zinc/20/54/29/291205429.db2.gz OPURDJSLFFTBCW-CMKODMSKSA-N 1 0 424.511 2.393 40 0 biogenic,in-vitro HEABRO COCC(=O)NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2c1cc(-c2ccc(N(C)C)cc2)nn1C ZINC000008635344 291206267 /nfs/dbraw/zinc/20/62/67/291206267.db2.gz WLQWVEVQVTUQMS-SXLOBPIMSA-N 1 0 411.550 2.094 40 0 biogenic,in-vitro HEABRO O[C@@H]1[C@@H](N2CCCCC2)[C@@H]2OC[C@@H](O2)[C@H]1[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000012529600 291213924 /nfs/dbraw/zinc/21/39/24/291213924.db2.gz OZAGHCICDXHSSN-HSFUPAIVSA-N 1 0 402.413 2.014 40 0 biogenic,in-vitro HEABRO Cc1cc(C)nc(N2CC[NH+](CCCCN3C(=O)[C@@H]4CC[C@H](C3=O)C4(C)C)CC2)n1 ZINC000005541562 132306790 /nfs/dbraw/zinc/30/67/90/132306790.db2.gz SUTQXCDTESYFFP-KDURUIRLSA-N 1 0 413.566 2.417 40 0 HEABRO CCC1(CC)C(=O)NC(=O)N(CCCC[NH+]2CCN(c3ccccc3)CC2)C1=O ZINC000010150758 132345330 /nfs/dbraw/zinc/34/53/30/132345330.db2.gz WBOOIXMHPGLFCG-UHFFFAOYSA-N 1 0 400.523 2.474 40 0 HEABRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)Nc1ccc2ccccc2c1 ZINC000004899482 557611228 /nfs/dbraw/zinc/61/12/28/557611228.db2.gz UFLMFGGTOSXVIA-PMACEKPBSA-N 1 0 410.518 2.259 40 0 HEABRO COC(=O)[C@@]12C[N@@H+](C)C[C@@](C(=O)OC)(C1=O)[C@@H](c1ccccc1)O[C@H]2c1ccccc1 ZINC000005766599 557673684 /nfs/dbraw/zinc/67/36/84/557673684.db2.gz WXHWUFKLCLYPBR-WLJAXQAKSA-N 1 0 423.465 2.333 40 0 HEABRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccc(C)cc1 ZINC000408710312 557738090 /nfs/dbraw/zinc/73/80/90/557738090.db2.gz WUPJRTKLQSYZCL-IBGZPJMESA-N 1 0 422.529 2.464 40 0 HEABRO C[C@@H](CNC(=O)Cn1cccc(C(=O)Nc2ccc(F)cc2)c1=O)[NH+]1CCCCC1 ZINC000019750701 558270588 /nfs/dbraw/zinc/27/05/88/558270588.db2.gz XTFHLVRZTCWVOC-INIZCTEOSA-N 1 0 414.481 2.230 40 0 HEABRO CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@@H]1c1ccc(O)c(OC)c1 ZINC000019818152 558288440 /nfs/dbraw/zinc/28/84/40/558288440.db2.gz FUBZXRVJNCWFDC-WOJBJXKFSA-N 1 0 423.469 2.165 40 0 HEABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1 ZINC000020244487 558350992 /nfs/dbraw/zinc/35/09/92/558350992.db2.gz XJMLUYDLSFERDC-SFHVURJKSA-N 1 0 410.584 2.314 40 0 HEABRO CCOC(=O)C1=C(O)NC(N2CCN(c3ccccc3F)CC2)=[NH+][C@H]1c1ccccc1 ZINC000020636916 558396369 /nfs/dbraw/zinc/39/63/69/558396369.db2.gz CFNCQLHKNUXGSO-UXHICEINSA-N 1 0 424.476 2.354 40 0 HEABRO COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCCC[NH+]1CCCCC1 ZINC000013670123 558561761 /nfs/dbraw/zinc/56/17/61/558561761.db2.gz JPWAEFQGRPNCEU-UHFFFAOYSA-N 1 0 423.579 2.476 40 0 HEABRO CC[C@@H](C(=O)NCC[NH+]1CCCCC1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013715028 558578530 /nfs/dbraw/zinc/57/85/30/558578530.db2.gz HXTHIELCZMNIFP-KRWDZBQOSA-N 1 0 401.960 2.487 40 0 HEABRO CC[C@H](C)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1([NH2+][C@H]2CCSC)C(=O)Nc2ccc(F)cc21 ZINC000035375180 558790572 /nfs/dbraw/zinc/79/05/72/558790572.db2.gz NVVBORDBMCXQLB-HKMBFBJRSA-N 1 0 405.495 2.098 40 0 HEABRO COc1cc(C[N@@H+]2CC[C@](O)(c3ccccc3)C2)ccc1OCCN1CCOCC1 ZINC000036743625 558802443 /nfs/dbraw/zinc/80/24/43/558802443.db2.gz MFXJCMJTJJGBBX-XMMPIXPASA-N 1 0 412.530 2.500 40 0 HEABRO CN(CC(=O)NCCC[NH+]1CCCCCC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000069248845 558869845 /nfs/dbraw/zinc/86/98/45/558869845.db2.gz WQIFELSCQAFHDS-UHFFFAOYSA-N 1 0 401.960 2.343 40 0 HEABRO O=C(c1cccs1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](C1CCOCC1)CC2 ZINC000019342665 558872142 /nfs/dbraw/zinc/87/21/42/558872142.db2.gz YCUWNIIMJDJVTE-KRWDZBQOSA-N 1 0 414.531 2.346 40 0 HEABRO CC(C)[N@@H+]1CCc2nc([C@@H]3CCCN3C(=O)Cc3ccc4c(c3)OCO4)[nH]c(=O)c2C1 ZINC000019448265 558887194 /nfs/dbraw/zinc/88/71/94/558887194.db2.gz DCSGIIBQZBOWIM-SFHVURJKSA-N 1 0 424.501 2.171 40 0 HEABRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccccn1)Cc1ccnc(N2CCN(C)CC2)n1 ZINC000019527170 558908242 /nfs/dbraw/zinc/90/82/42/558908242.db2.gz LALZLKQHKBADMQ-QFIPXVFZSA-N 1 0 409.582 2.110 40 0 HEABRO COCC(=O)N1CCC[C@H](c2nc3c(c(=O)[nH]2)C[N@H+](Cc2cccs2)CC3)C1 ZINC000019592801 558943686 /nfs/dbraw/zinc/94/36/86/558943686.db2.gz BEHGAKWERTVKKC-AWEZNQCLSA-N 1 0 402.520 2.154 40 0 HEABRO C[NH+]1CCN(CCCNC(=O)COc2ccc(Cl)cc2Br)CC1 ZINC000061524648 558945291 /nfs/dbraw/zinc/94/52/91/558945291.db2.gz JMCSODYZZJLLJV-UHFFFAOYSA-N 1 0 404.736 2.235 40 0 HEABRO O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000019660073 558951296 /nfs/dbraw/zinc/95/12/96/558951296.db2.gz TWIRRYVYPVESFF-HXUWFJFHSA-N 1 0 405.564 2.494 40 0 HEABRO CC(C)C(=O)N1CCC2(CC1)NC(=O)N(C1CC[NH+](Cc3ccccc3)CC1)C2=O ZINC000019699430 558966715 /nfs/dbraw/zinc/96/67/15/558966715.db2.gz HCRKXPZJTKBFJO-UHFFFAOYSA-N 1 0 412.534 2.220 40 0 HEABRO CC(C)C[NH+]1CCC(N2C(=O)NC3(CCN(C(=O)c4ccccc4)CC3)C2=O)CC1 ZINC000019699410 558966760 /nfs/dbraw/zinc/96/67/60/558966760.db2.gz GAARGWNPYIVKCC-UHFFFAOYSA-N 1 0 412.534 2.334 40 0 HEABRO COc1ccc(C[N@H+]2C[C@H]3[C@H](CC[C@]3(O)c3cnc(OC)nc3OC)C2)c(F)c1 ZINC000072395409 558974342 /nfs/dbraw/zinc/97/43/42/558974342.db2.gz LBCHNHFLYZMSPJ-JRQSSSKMSA-N 1 0 403.454 2.371 40 0 HEABRO COc1ccc(C[NH+]2CCC3(CC2)NC(=O)N(C)C3=O)cc1OCc1ccccn1 ZINC000019716013 558977502 /nfs/dbraw/zinc/97/75/02/558977502.db2.gz GYJBQSMEUGRQFM-UHFFFAOYSA-N 1 0 410.474 2.185 40 0 HEABRO Cc1ccccc1S(=O)(=O)N1CCC2(CO[C@@H](C[N@@H+]3CCC[C@H]3CO)C2)CC1 ZINC000585103485 559026681 /nfs/dbraw/zinc/02/66/81/559026681.db2.gz GRZIRCVQUIEFCJ-RBUKOAKNSA-N 1 0 408.564 2.012 40 0 HEABRO CN(C)c1ccc(CC(=O)N2CCC3(CO[C@@H](C[NH+]4CCC(O)CC4)C3)CC2)cc1 ZINC000585105120 559027656 /nfs/dbraw/zinc/02/76/56/559027656.db2.gz YQCQWGDNAWRPDU-JOCHJYFZSA-N 1 0 415.578 2.150 40 0 HEABRO O=C(c1cc(C2CC2)on1)N1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000585106242 559028565 /nfs/dbraw/zinc/02/85/65/559028565.db2.gz HUPZTTWSPSBWMG-MOPGFXCFSA-N 1 0 420.513 2.405 40 0 HEABRO CCn1cc(C[N@@H+]2C[C@@H](C(=O)NCc3cc(F)cc(F)c3)C[C@H]3OCC[C@H]32)cn1 ZINC000585108712 559030181 /nfs/dbraw/zinc/03/01/81/559030181.db2.gz GYQXZUXPJNQOQD-PWIZWCRZSA-N 1 0 404.461 2.477 40 0 HEABRO O=C(c1cccs1)N1CCC2(C[N@H+](Cc3cccnc3)C[C@@]23CCNC3=O)CC1 ZINC000096036346 559089987 /nfs/dbraw/zinc/08/99/87/559089987.db2.gz LODBFLJMFLJBJX-JOCHJYFZSA-N 1 0 410.543 2.388 40 0 HEABRO CC[N@@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CCN(C(=O)c1ccnnc1)CC3 ZINC000096036327 559090036 /nfs/dbraw/zinc/09/00/36/559090036.db2.gz PSKCGZUMEHHHJN-WMZHIEFXSA-N 1 0 411.550 2.053 40 0 HEABRO COCCNC(=O)C[C@@H]1CC2(CC[NH+](Cc3cnn(C)c3)CC2)Oc2ccccc21 ZINC000096053370 559093291 /nfs/dbraw/zinc/09/32/91/559093291.db2.gz ZMLRZBWMUJUKIN-LJQANCHMSA-N 1 0 412.534 2.474 40 0 HEABRO CCOC(=O)[C@@]12C[N@H+](Cc3cccc(C)n3)C[C@@H]1CN(C(=O)c1ccnnc1)CCC2 ZINC000096056092 559093886 /nfs/dbraw/zinc/09/38/86/559093886.db2.gz KINXLSJZTWTZFA-XXBNENTESA-N 1 0 423.517 2.098 40 0 HEABRO CCN1CC[C@]2(C[N@H+](Cc3cccnc3)CC23CCN(C(=O)NC(C)C)CC3)C1=O ZINC000096144405 559096675 /nfs/dbraw/zinc/09/66/75/559096675.db2.gz XQKWPFTYOIXGFX-QHCPKHFHSA-N 1 0 413.566 2.336 40 0 HEABRO C[N@@H+]1CCCN(C(=O)c2nc(-c3cn(C[C@@H]4CCCO4)cn3)n3ccccc23)CC1 ZINC000096155147 559099327 /nfs/dbraw/zinc/09/93/27/559099327.db2.gz BONVLNYLUJZEAF-KRWDZBQOSA-N 1 0 408.506 2.155 40 0 HEABRO Cc1cc(C)n(CCOc2ccc(C[NH2+]C[C@]3(O)CCN(c4ncccn4)C3)cc2)n1 ZINC000585271280 559116654 /nfs/dbraw/zinc/11/66/54/559116654.db2.gz VYZJQGNCCQPKAD-HSZRJFAPSA-N 1 0 422.533 2.100 40 0 HEABRO COCC(=O)N1CC[N@@H+](C2CCCCC2)C[C@@](O)(COc2cc(F)cc(F)c2)C1 ZINC000585281990 559119738 /nfs/dbraw/zinc/11/97/38/559119738.db2.gz DVUNPODYFXIOAS-NRFANRHFSA-N 1 0 412.477 2.198 40 0 HEABRO COCC(=O)N1CC[N@@H+](C2CCCCC2)C[C@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585284136 559120391 /nfs/dbraw/zinc/12/03/91/559120391.db2.gz VDVDHLAKKFALJW-OAQYLSRUSA-N 1 0 412.477 2.198 40 0 HEABRO O=C(Cc1ccc(Cl)cc1)N1CC[C@H](O)[C@@](O)(C[NH2+]Cc2cc(F)cc(F)c2)C1 ZINC000585283800 559120833 /nfs/dbraw/zinc/12/08/33/559120833.db2.gz HTNKNIXYNVOTHV-PZJWPPBQSA-N 1 0 424.875 2.275 40 0 HEABRO O=C(c1ccc(Cl)cc1)N1CC[C@H](O)[C@@](O)(C[NH2+]CCc2cccc(F)c2)C1 ZINC000585285684 559121654 /nfs/dbraw/zinc/12/16/54/559121654.db2.gz SAGMJUYTWODEIN-PZJWPPBQSA-N 1 0 406.885 2.249 40 0 HEABRO Cc1ccccc1CC[NH2+]C[C@@]1(O)CCN(C(=O)Cc2ccc(Cl)cc2)C[C@@H]1O ZINC000585286079 559121848 /nfs/dbraw/zinc/12/18/48/559121848.db2.gz VBPSNTNFZSUQJE-GMAHTHKFSA-N 1 0 416.949 2.348 40 0 HEABRO O=C(c1ccsc1)N1CCC2(C[N@H+](Cc3cccnc3)C[C@]23CCNC3=O)CC1 ZINC000097952842 559124865 /nfs/dbraw/zinc/12/48/65/559124865.db2.gz YUNYXTGZOSTXEW-QFIPXVFZSA-N 1 0 410.543 2.388 40 0 HEABRO O=C(c1cccc(F)c1)N1CCC([NH2+][C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1 ZINC000105187736 559162352 /nfs/dbraw/zinc/16/23/52/559162352.db2.gz QXEIFDVCVMYTPC-LJQANCHMSA-N 1 0 413.424 2.491 40 0 HEABRO COCC[N@@H+]1CC2(CCN(C(=O)Nc3cccc(C)c3)CC2)[C@@]2(CCNC2=O)C1 ZINC000107181693 559164710 /nfs/dbraw/zinc/16/47/10/559164710.db2.gz DWKSNQHCZCDCLM-QFIPXVFZSA-N 1 0 400.523 2.077 40 0 HEABRO O=C(NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H]([NH+]2CCOCC2)CC1)c1ccccn1 ZINC000257331477 559283363 /nfs/dbraw/zinc/28/33/63/559283363.db2.gz XTAUQKMXQHFUER-CQOQZXRMSA-N 1 0 409.530 2.385 40 0 HEABRO C[C@@H]1C[C@H]1C(=O)N1CCC[C@H](N2C(=O)NC3(CC[NH+](Cc4ccccc4)CC3)C2=O)C1 ZINC000409412760 560723006 /nfs/dbraw/zinc/72/30/06/560723006.db2.gz YOZQFRRGZLGRGO-YZGWKJHDSA-N 1 0 424.545 2.220 40 0 HEABRO CS(=O)(=O)N(CC(=O)NCCC[NH+]1CCCC1)c1cc(Cl)ccc1Cl ZINC000010450109 560769772 /nfs/dbraw/zinc/76/97/72/560769772.db2.gz CITWMQUYPVSWSX-UHFFFAOYSA-N 1 0 408.351 2.362 40 0 HEABRO CC[NH+]1CCN([C@H](c2nnnn2Cc2ccccc2)c2ccc(OC)c(OC)c2)CC1 ZINC000019527984 560874696 /nfs/dbraw/zinc/87/46/96/560874696.db2.gz ZYAZLKMYJJMDQB-QFIPXVFZSA-N 1 0 422.533 2.466 40 0 HEABRO COc1ccc(C[NH2+][C@@H]2C[C@@H](O)[C@H](CO)[C@H]2Cc2ccnc(-c3cccnc3)n2)cc1 ZINC000604382182 568489430 /nfs/dbraw/zinc/48/94/30/568489430.db2.gz JKFJTWWPPWVLKA-SSGKUCQKSA-N 1 0 420.513 2.237 40 0 biogenic,in-vitro HEABRO C[C@H]1CCC[N@H+](CCCNC(=O)CN(Cc2ccccc2Cl)S(C)(=O)=O)C1 ZINC000260767445 568738155 /nfs/dbraw/zinc/73/81/55/568738155.db2.gz OTECAHSBUCQRSY-INIZCTEOSA-N 1 0 415.987 2.340 40 0 HEABRO C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCC[N@@H+]1CCC[C@H](C)C1 ZINC000260793514 568739413 /nfs/dbraw/zinc/73/94/13/568739413.db2.gz KMWJQHMSMKTWAJ-IRXDYDNUSA-N 1 0 411.568 2.088 40 0 HEABRO Cc1nc(-c2nccn2C)cc([C@@H]2CCCC[N@@H+]2C2CCN(S(C)(=O)=O)CC2)n1 ZINC000257202012 568776535 /nfs/dbraw/zinc/77/65/35/568776535.db2.gz AKCUDBYSPHVQTP-IBGZPJMESA-N 1 0 418.567 2.137 40 0 HEABRO Cc1nc(-c2nccn2C)cc([C@H]2CCCC[N@@H+]2C2CCN(S(C)(=O)=O)CC2)n1 ZINC000257202013 568776761 /nfs/dbraw/zinc/77/67/61/568776761.db2.gz AKCUDBYSPHVQTP-LJQANCHMSA-N 1 0 418.567 2.137 40 0 HEABRO COc1cccc(O[C@@H]2C[C@@H](NC(=O)c3cccnc3C)[C@H]([NH+]3CCCC3)[C@H]2O)c1 ZINC000257255768 568791876 /nfs/dbraw/zinc/79/18/76/568791876.db2.gz KITSIVMHSAEIMA-CZYKHXBRSA-N 1 0 411.502 2.174 40 0 HEABRO CN(Cc1cc(C(C)(C)C)ccc1OCC(N)=O)[C@@H]1CC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257290323 568801620 /nfs/dbraw/zinc/80/16/20/568801620.db2.gz QCKQFSSLEYCHIL-WOIUINJBSA-N 1 0 403.567 2.268 40 0 HEABRO COc1ccc(C[N@H+](C)C[C@]2(O)CCCN(C(=O)c3n[nH]c4c3CCC4)CC2)cc1 ZINC000257322842 568811239 /nfs/dbraw/zinc/81/12/39/568811239.db2.gz WHPUODMNTKOGNH-QHCPKHFHSA-N 1 0 412.534 2.396 40 0 HEABRO CCn1cc(C[N@@H+]2C[C@H](c3cn(C(C)C)cn3)[C@@]3(CCN(CCOC)C3=O)C2)cn1 ZINC000306131460 568893654 /nfs/dbraw/zinc/89/36/54/568893654.db2.gz KFHHDUKEZGUQSN-DENIHFKCSA-N 1 0 414.554 2.145 40 0 HEABRO C[C@H]1CN(c2ncc3c(n2)[C@]2(CC[N@H+](Cc4ccc(O)cc4)C2)COC3)C[C@H](C)O1 ZINC000306142211 568903735 /nfs/dbraw/zinc/90/37/35/568903735.db2.gz WTMGLZOOEZPVDL-QQMNAOGKSA-N 1 0 410.518 2.470 40 0 HEABRO CC[NH+](CC)C[C@H]1CC2(CCN(S(=O)(=O)c3ccsc3C(=O)OC)CC2)O1 ZINC000306143197 568904751 /nfs/dbraw/zinc/90/47/51/568904751.db2.gz XVPSVFYGWBXCNB-CQSZACIVSA-N 1 0 416.565 2.189 40 0 HEABRO Cn1nccc1[C@H]1C[N@H+](CCc2ccccc2)C[C@@]12OCCN(CC1CCC1)C2=O ZINC000306144742 568906217 /nfs/dbraw/zinc/90/62/17/568906217.db2.gz ZNNKFNBTELACGS-ZJSXRUAMSA-N 1 0 408.546 2.460 40 0 HEABRO CCOc1ccc(NC(=O)N2CCN(c3cn[nH+]c(N4CCOCC4)c3)CC2)cc1 ZINC000224331765 569058569 /nfs/dbraw/zinc/05/85/69/569058569.db2.gz BXSKJIWGJNIIQF-UHFFFAOYSA-N 1 0 412.494 2.066 40 0 HEABRO C[C@H]1CCC[N@H+](CC(C)(C)NC(=O)c2cc(C3CC3)n([C@H]3CCS(=O)(=O)C3)n2)C1 ZINC000253602860 569318436 /nfs/dbraw/zinc/31/84/36/569318436.db2.gz SICLQQZOPMUEEB-RDJZCZTQSA-N 1 0 422.595 2.360 40 0 HEABRO O=C([C@H]1CCCO1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](C2CCCCC2)C3)C1 ZINC000019014897 569345184 /nfs/dbraw/zinc/34/51/84/569345184.db2.gz ZEAJTFDOYZDYTO-DNVCBOLYSA-N 1 0 400.523 2.368 40 0 HEABRO CC[NH+]1CCC2(CC1)NC(=O)N(C1CCN(C(=O)CC3CCCCC3)CC1)C2=O ZINC000019699545 569347013 /nfs/dbraw/zinc/34/70/13/569347013.db2.gz OPFMJWCLGBLAIG-UHFFFAOYSA-N 1 0 404.555 2.354 40 0 HEABRO CC(C)C[NH+]1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)c3ccccc3)C1)C2=O ZINC000019699795 569347075 /nfs/dbraw/zinc/34/70/75/569347075.db2.gz ULNHLZWXZMGTDT-IBGZPJMESA-N 1 0 412.534 2.334 40 0 HEABRO C[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](N2C(=O)NC3(CC[NH+](Cc4ccccc4)CC3)C2=O)C1 ZINC000019699856 569347120 /nfs/dbraw/zinc/34/71/20/569347120.db2.gz YOZQFRRGZLGRGO-RLLQIKCJSA-N 1 0 424.545 2.220 40 0 HEABRO C[NH2+]Cc1cc(N(C)C)nc([C@H]2CCCN(CC(=O)Nc3ccc(OC)cc3)C2)n1 ZINC000019709558 569348053 /nfs/dbraw/zinc/34/80/53/569348053.db2.gz QBDSSHLCYWVPRS-INIZCTEOSA-N 1 0 412.538 2.089 40 0 HEABRO CNC(=O)[C@]1(Cc2cc(C(C)C)no2)CC[N@H+](Cc2ccnc(N3CCCC3)n2)C1 ZINC000019739198 569348633 /nfs/dbraw/zinc/34/86/33/569348633.db2.gz PZYMHAABEMWQAQ-QFIPXVFZSA-N 1 0 412.538 2.369 40 0 HEABRO CN1CCC([N@H+]2C[C@H]3C[C@H](Cn4c(=O)ccc(NC(=O)c5ccccn5)c43)C2)CC1 ZINC000020503709 575370112 /nfs/dbraw/zinc/37/01/12/575370112.db2.gz FVJHGFKBTGWITM-DLBZAZTESA-N 1 0 407.518 2.009 40 0 biogenic,in-vitro HEABRO CC(C)NC(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000008635649 291203428 /nfs/dbraw/zinc/20/34/28/291203428.db2.gz GEZUKUQVCYYWRV-CNNODRBYSA-N 1 0 417.573 2.366 40 0 biogenic,in-vitro HEABRO CN1CCN(C(=O)C[C@@H]2CC[NH2+]C[C@@H]2Cc2cc(COc3ccccc3)on2)CC1 ZINC000015673588 291205405 /nfs/dbraw/zinc/20/54/05/291205405.db2.gz VPSPFJFHEBDMLL-OALUTQOASA-N 1 0 412.534 2.186 40 0 biogenic,in-vitro HEABRO COCC(=O)Nc1ccc(-c2noc([C@@H]3CCCN3Cc3ccc(CO)o3)n2)cn1 ZINC000035425655 291206270 /nfs/dbraw/zinc/20/62/70/291206270.db2.gz DJBCWIRZXUFEAE-INIZCTEOSA-N 1 0 413.434 2.139 40 0 biogenic,in-vitro HEABRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000408709890 557738585 /nfs/dbraw/zinc/73/85/85/557738585.db2.gz ZAEXBMFLKJOHTE-SFHVURJKSA-N 1 0 408.502 2.156 40 0 HEABRO O=C(NCCC[NH+]1CCCCC1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000008278954 557779692 /nfs/dbraw/zinc/77/96/92/557779692.db2.gz BKSUULZPAKPWGZ-UHFFFAOYSA-N 1 0 411.543 2.219 40 0 HEABRO Cc1nc([C@@H]2CCCCN2C(=O)C[NH+](C)C)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019764909 558277814 /nfs/dbraw/zinc/27/78/14/558277814.db2.gz LKGIMGWMPXLLGI-IBGZPJMESA-N 1 0 413.497 2.469 40 0 HEABRO CCn1nc(C)c(C[NH+]2CCC([C@@H]3Nc4ccccc4S(=O)(=O)N3)CC2)c1C ZINC000012222272 558356034 /nfs/dbraw/zinc/35/60/34/558356034.db2.gz AFHUGRAUMPSKIW-HXUWFJFHSA-N 1 0 403.552 2.462 40 0 HEABRO COc1ccc(S(=O)(=O)NCCC[NH+]2CCCCCC2)cc1N1CCCC1=O ZINC000020457000 558370185 /nfs/dbraw/zinc/37/01/85/558370185.db2.gz BVSHLDLFRTZMBW-UHFFFAOYSA-N 1 0 409.552 2.366 40 0 HEABRO COc1ccc(S(=O)(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1N1CCCC1=O ZINC000020495059 558380234 /nfs/dbraw/zinc/38/02/34/558380234.db2.gz CIRHWBXOOKCECU-IAGOWNOFSA-N 1 0 423.579 2.468 40 0 HEABRO CCOC(=O)C1=C(O)NC(N2CCN(c3ccccc3)CC2)=[NH+][C@@H]1c1ccc(F)cc1 ZINC000020674719 558399214 /nfs/dbraw/zinc/39/92/14/558399214.db2.gz MXCAJKXVLWKSTG-WOJBJXKFSA-N 1 0 424.476 2.354 40 0 HEABRO COc1ccc2c(c1)c(C[NH+]1CCC(N3C[C@@H](C)O[C@H](C)C3)CC1)cn2CC(N)=O ZINC000036741489 558802223 /nfs/dbraw/zinc/80/22/23/558802223.db2.gz FBQLRYYVPBUBAT-IAGOWNOFSA-N 1 0 414.550 2.209 40 0 HEABRO COc1cc(CCC(=O)N2CCC[C@@H](c3nc4c(c(=O)[nH]3)C[N@H+](C)CC4)C2)ccc1C ZINC000019214639 558849722 /nfs/dbraw/zinc/84/97/22/558849722.db2.gz NWQCNCNLIHEOKN-GOSISDBHSA-N 1 0 424.545 2.414 40 0 HEABRO Cc1ccc2c(c1)C(=O)N(CC(=O)NCc1cccnc1)CC1(CC[NH+](C)CC1)O2 ZINC000019218610 558851169 /nfs/dbraw/zinc/85/11/69/558851169.db2.gz SCVMVURZHDUBNZ-UHFFFAOYSA-N 1 0 408.502 2.005 40 0 HEABRO O=C(CCC[NH+]1CCCC1)N1CCC[C@@H](C2=NS(=O)(=O)c3ccccc3N2)C1 ZINC000019375628 558881766 /nfs/dbraw/zinc/88/17/66/558881766.db2.gz TUDQDCNRWIASJN-MRXNPFEDSA-N 1 0 404.536 2.314 40 0 HEABRO CC(C)NC(=O)[C@H]1C[C@@H](C2CCN(S(=O)(=O)c3cccc(F)c3)CC2)[N@H+](C)C1 ZINC000019449776 558888490 /nfs/dbraw/zinc/88/84/90/558888490.db2.gz LLHCUDZYNQBIEJ-LPHOPBHVSA-N 1 0 411.543 2.071 40 0 HEABRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccccn1)Cc1ccnc(N2CCN(C)CC2)n1 ZINC000019527169 558908318 /nfs/dbraw/zinc/90/83/18/558908318.db2.gz LALZLKQHKBADMQ-JOCHJYFZSA-N 1 0 409.582 2.110 40 0 HEABRO COc1cc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2Cc2ccccc2)ccc1OCC(N)=O ZINC000019550195 558915011 /nfs/dbraw/zinc/91/50/11/558915011.db2.gz SSBCTUJDIVAGGW-SFTDATJTSA-N 1 0 409.530 2.451 40 0 HEABRO C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC(c2ccc(Nc3ncccn3)cn2)CC1 ZINC000072374245 558961696 /nfs/dbraw/zinc/96/16/96/558961696.db2.gz QTIZHPWQQGASKN-QGZVFWFLSA-N 1 0 410.522 2.290 40 0 HEABRO CC1CC[NH+](CCC(=O)N2CCC[C@H]2c2ccc(C(=O)N3CCOCC3)cn2)CC1 ZINC000072374446 558962002 /nfs/dbraw/zinc/96/20/02/558962002.db2.gz BQZFDXZLTKLXTC-NRFANRHFSA-N 1 0 414.550 2.340 40 0 HEABRO CN(C)c1cc([C@@H]2CCC[NH2+]C2)nc(CN(C)CC(=O)Nc2ccccc2F)n1 ZINC000019709984 558971937 /nfs/dbraw/zinc/97/19/37/558971937.db2.gz SRXZBXPCDWSLNN-OAHLLOKOSA-N 1 0 400.502 2.219 40 0 HEABRO Cc1nc(C)c(C(=O)N2CCC3(CO[C@@H](C[N@H+]4CC[C@@H](C)[C@H](O)C4)C3)CC2)s1 ZINC000585103693 559025735 /nfs/dbraw/zinc/02/57/35/559025735.db2.gz IDPGHYBOEUDZNS-ZTFGCOKTSA-N 1 0 407.580 2.474 40 0 HEABRO Cc1ccc(O)c(C(=O)N2CCC3(CO[C@@H](C[N@H+]4CC[C@@H](C)[C@H](O)C4)C3)CC2)c1 ZINC000585103171 559026573 /nfs/dbraw/zinc/02/65/73/559026573.db2.gz FDZLKYFKCJURGZ-DBXWQHBBSA-N 1 0 402.535 2.415 40 0 HEABRO CN(C)c1ccc(CC(=O)N2CCC3(CO[C@H](C[NH+]4CCC(O)CC4)C3)CC2)cc1 ZINC000585105121 559027599 /nfs/dbraw/zinc/02/75/99/559027599.db2.gz YQCQWGDNAWRPDU-QFIPXVFZSA-N 1 0 415.578 2.150 40 0 HEABRO CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000585106206 559028488 /nfs/dbraw/zinc/02/84/88/559028488.db2.gz DOSUUSAKNNGWNS-SXLOBPIMSA-N 1 0 419.591 2.385 40 0 HEABRO COc1cc(OC)cc(C(=O)N2CCC3(CC2)NC(=O)[C@@H]2C[N@H+](CC(C)C)C[C@@H]23)c1 ZINC000585106209 559028550 /nfs/dbraw/zinc/02/85/50/559028550.db2.gz WVNOJANGGVZKJF-UXHICEINSA-N 1 0 415.534 2.012 40 0 HEABRO COCCNC(=O)C[C@H]1CC2(CC[NH+](Cc3cnn(C)c3)CC2)Oc2ccccc21 ZINC000096053369 559093312 /nfs/dbraw/zinc/09/33/12/559093312.db2.gz ZMLRZBWMUJUKIN-IBGZPJMESA-N 1 0 412.534 2.474 40 0 HEABRO O=C(NCC1CC1)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@H+](Cc1ccncc1)CCC2 ZINC000096056151 559093874 /nfs/dbraw/zinc/09/38/74/559093874.db2.gz UKBQYLVGYNLROK-REWPJTCUSA-N 1 0 406.534 2.116 40 0 HEABRO CC(C)CC[N@@H+]1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(CC(=O)N(C)C)[C@H]2CC1 ZINC000096145842 559097528 /nfs/dbraw/zinc/09/75/28/559097528.db2.gz ZQNALAJSFGMUEA-ROUUACIJSA-N 1 0 423.579 2.037 40 0 HEABRO O=C(NCC[NH+]1CCCC1)c1nc(-c2cn(-c3nccs3)cn2)n2ccccc12 ZINC000096155077 559099346 /nfs/dbraw/zinc/09/93/46/559099346.db2.gz JCPNSXUUJHOJGQ-UHFFFAOYSA-N 1 0 407.503 2.469 40 0 HEABRO O=C(NCc1ccccn1)[C@H]1Cn2ccnc2C2(CC[NH+](Cc3ccccc3)CC2)O1 ZINC000096243855 559104893 /nfs/dbraw/zinc/10/48/93/559104893.db2.gz WCVRLMNSDNWUPO-OAQYLSRUSA-N 1 0 417.513 2.485 40 0 HEABRO C[NH+](C)CCN1[C@@]2(CCN(C(=O)c3cccs3)C2)c2ccccc2S1(=O)=O ZINC000096261880 559106158 /nfs/dbraw/zinc/10/61/58/559106158.db2.gz HUJHREYHEBCIHW-LJQANCHMSA-N 1 0 405.545 2.055 40 0 HEABRO CCN1CC[C@]2(C[N@H+](CCOC)CC23CCN(C(=O)c2ccccc2F)CC3)C1=O ZINC000096262800 559106745 /nfs/dbraw/zinc/10/67/45/559106745.db2.gz AEDDBBIWEJGIFC-QHCPKHFHSA-N 1 0 417.525 2.249 40 0 HEABRO OCCOc1ccc(C[N@@H+]2C[C@H](O)[C@@H](Oc3ccc(Br)cc3)C2)cc1 ZINC000585267912 559113010 /nfs/dbraw/zinc/11/30/10/559113010.db2.gz WAOGMWXRDLZLLO-OALUTQOASA-N 1 0 408.292 2.444 40 0 HEABRO Cn1ccnc1COc1ccc(C[N@H+](C)C[C@]2(O)CCCN(c3cnccn3)C2)cc1 ZINC000585269900 559116185 /nfs/dbraw/zinc/11/61/85/559116185.db2.gz PKISHXGRBJBXDW-HSZRJFAPSA-N 1 0 422.533 2.252 40 0 HEABRO CC(=O)NCCCOc1ccc(C[N@@H+]2C[C@H](O)[C@@H](Oc3cccc(F)c3)C2)cc1 ZINC000585270759 559116385 /nfs/dbraw/zinc/11/63/85/559116385.db2.gz AKTAJMCVQJFJLN-VXKWHMMOSA-N 1 0 402.466 2.355 40 0 HEABRO COc1ccc(C[NH2+]C[C@@]2(O)CN(C(=O)Cc3ccc(Cl)cc3)CC[C@@H]2O)cc1 ZINC000585285654 559121757 /nfs/dbraw/zinc/12/17/57/559121757.db2.gz RNUDMFOYZHMYFI-RBBKRZOGSA-N 1 0 418.921 2.005 40 0 HEABRO CCC(CC)[N@@H+]1CCN(C(=O)COC)C[C@@](O)(COc2cccc(F)c2F)C1 ZINC000585288043 559123173 /nfs/dbraw/zinc/12/31/73/559123173.db2.gz UWLMRBFAUVVTOY-HXUWFJFHSA-N 1 0 400.466 2.054 40 0 HEABRO CCOc1ccc(C[NH2+]C[C@@]2(O)CCN(C(=O)c3ccc(Cl)cc3)C[C@@H]2O)cc1 ZINC000585291006 559123533 /nfs/dbraw/zinc/12/35/33/559123533.db2.gz YYHYXCVLWQKFOO-UNMCSNQZSA-N 1 0 418.921 2.466 40 0 HEABRO CCN1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)NC3CCCCC3)c2)CC1 ZINC000008475821 560556360 /nfs/dbraw/zinc/55/63/60/560556360.db2.gz IXEQUGXHQGTESN-UHFFFAOYSA-N 1 0 409.552 2.084 40 0 HEABRO COCCCNC(=S)N(CCC[NH+](C)C)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000004161997 560602177 /nfs/dbraw/zinc/60/21/77/560602177.db2.gz UWJZFFUJDVQNOM-UHFFFAOYSA-N 1 0 420.579 2.201 40 0 HEABRO COc1ccc(C(=O)N2C[C@@H]3COCCN3C3(C[NH+](CCC(C)(C)C)C3)C2)cc1 ZINC000604381929 568489329 /nfs/dbraw/zinc/48/93/29/568489329.db2.gz VSWFZICCSKNMTC-LJQANCHMSA-N 1 0 401.551 2.342 40 0 biogenic,in-vitro HEABRO COc1cccc(N2C(=O)[C@H]3[C@H]4CCC[N@@H+]4[C@]4(c5ccccc5NC4=O)[C@@H]3C2=O)c1 ZINC000033821727 568521640 /nfs/dbraw/zinc/52/16/40/568521640.db2.gz GMNXXRIOIFEQEK-GKAYAJSDSA-N 1 0 403.438 2.126 40 0 HEABRO CN([C@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1)c1ccccc1)S(C)(=O)=O ZINC000260769742 568738170 /nfs/dbraw/zinc/73/81/70/568738170.db2.gz QYGXUGOCYCGLKO-FQEVSTJZSA-N 1 0 416.547 2.010 40 0 HEABRO COCCNC(=O)c1sc2nccnc2c1[C@@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000257234929 568786178 /nfs/dbraw/zinc/78/61/78/568786178.db2.gz GVQNZYNGLUTMKZ-CQSZACIVSA-N 1 0 404.536 2.426 40 0 HEABRO COc1ccc(CCNC(=O)[C@H]2C[N@H+](C)C[C@H]2c2cccc(CNC(C)=O)c2)cc1 ZINC000257277343 568797809 /nfs/dbraw/zinc/79/78/09/568797809.db2.gz NXPOHZWMTLTCOG-GOTSBHOMSA-N 1 0 409.530 2.335 40 0 HEABRO CC1CC[NH+](CC(=O)N2CCC[C@@](COc3ccc(F)cc3)(CC(N)=O)C2)CC1 ZINC000257296430 568803453 /nfs/dbraw/zinc/80/34/53/568803453.db2.gz RCVDDQAJZBXCBD-JOCHJYFZSA-N 1 0 405.514 2.421 40 0 HEABRO CN(CC1(O)CCN(c2ccnc3cccnc32)CC1)C(=O)c1cccc(C[NH3+])c1 ZINC000257310889 568807456 /nfs/dbraw/zinc/80/74/56/568807456.db2.gz UHBGBVJVBVQIDY-UHFFFAOYSA-N 1 0 405.502 2.192 40 0 HEABRO Cc1ccc(C(=O)N2CCC3(CC2)C[N@H+](C)C[C@H](C(=O)NCc2ccco2)O3)s1 ZINC000306123059 568886257 /nfs/dbraw/zinc/88/62/57/568886257.db2.gz ADPBEXONMMKHNL-QGZVFWFLSA-N 1 0 417.531 2.271 40 0 HEABRO COc1ccc(Cn2nc3n(c(=O)c2=O)CCC32CC[NH+](C3CCCC3)CC2)cc1 ZINC000306123297 568886616 /nfs/dbraw/zinc/88/66/16/568886616.db2.gz AJMLKNJUDMWWIF-UHFFFAOYSA-N 1 0 410.518 2.142 40 0 HEABRO Cc1ccc(C[N@@H+]2C[C@@H]3Cn4c(nn(Cc5ccc(C)cc5)c(=O)c4=O)[C@H]3C2)s1 ZINC000306125450 568888155 /nfs/dbraw/zinc/88/81/55/568888155.db2.gz CRFJFHMVYDEZMU-MJGOQNOKSA-N 1 0 408.527 2.361 40 0 HEABRO COc1ccccc1C[N@@H+]1CCOC[C@]2(CC[C@H](CNC(=O)c3cccnc3)O2)C1 ZINC000306125771 568888606 /nfs/dbraw/zinc/88/86/06/568888606.db2.gz DBVZISPYSRIZPL-OFNKIYASSA-N 1 0 411.502 2.270 40 0 HEABRO Cc1cccc(C[N@H+]2C[C@@H]3Cc4nnc(C(=O)NCc5ccccc5)n4C[C@H]3C2)n1 ZINC000306127358 568890229 /nfs/dbraw/zinc/89/02/29/568890229.db2.gz FWRSIHHKEGEYJR-RBUKOAKNSA-N 1 0 402.502 2.216 40 0 HEABRO CCn1cc(C[N@H+]2C[C@@H]3Cc4nnc(C(=O)Nc5ccc(OC)cc5)n4C[C@H]3C2)cn1 ZINC000306141000 568902894 /nfs/dbraw/zinc/90/28/94/568902894.db2.gz VIOAYHMBZPQWRT-DLBZAZTESA-N 1 0 421.505 2.060 40 0 HEABRO C[NH+](C)CCCNc1nc(C2CC2)cc(=NNc2ccc(N[SH](=O)=O)cc2)[nH]1 ZINC000329029731 568973483 /nfs/dbraw/zinc/97/34/83/568973483.db2.gz QAMFAMTWWHCTKA-UHFFFAOYSA-N 1 0 405.528 2.926 40 0 HEABRO Cc1ccc(C[NH2+]CCN(Cc2cccc(C)c2)[C@H]2CS(=O)(=O)C[C@@H]2O)cc1 ZINC000575421481 569025877 /nfs/dbraw/zinc/02/58/77/569025877.db2.gz QRJVBUXDSINKRT-VXKWHMMOSA-N 1 0 402.560 2.053 40 0 HEABRO C[NH+]1CCN(c2ccccc2NC(=S)NC(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000006247597 569330128 /nfs/dbraw/zinc/33/01/28/569330128.db2.gz BIVOWHLJDFUUJP-UHFFFAOYSA-N 1 0 412.515 2.336 40 0 HEABRO CCOc1ccc(N([C@H](C)C(=O)NCCC[NH+]2CCCCC2)S(C)(=O)=O)cc1 ZINC000010278166 569343201 /nfs/dbraw/zinc/34/32/01/569343201.db2.gz IMIDASNYYJVTKW-QGZVFWFLSA-N 1 0 411.568 2.232 40 0 HEABRO C[C@@H]1C[C@@H]1C(=O)N1CCC(N2C(=O)NC3(CC[NH+](Cc4ccccc4)CC3)C2=O)CC1 ZINC000019699465 569346973 /nfs/dbraw/zinc/34/69/73/569346973.db2.gz GKJXCGGXJQJDDX-XLIONFOSSA-N 1 0 424.545 2.220 40 0 HEABRO CC(C)C[NH+]1CCC2(CC1)NC(=O)N(C1CCN(C(=O)c3ccccc3)CC1)C2=O ZINC000019701347 569347253 /nfs/dbraw/zinc/34/72/53/569347253.db2.gz KHTLGWRXUYKEGP-UHFFFAOYSA-N 1 0 412.534 2.334 40 0 HEABRO CC(=O)N1CC[C@](Cc2cc(-c3ccccc3)no2)(C(=O)NC2CC[NH+](C)CC2)C1 ZINC000019703493 569347457 /nfs/dbraw/zinc/34/74/57/569347457.db2.gz JENCWIPJRMDVJR-HSZRJFAPSA-N 1 0 410.518 2.333 40 0 HEABRO COCCN1CC=CCC2(CC[NH+](CC(=O)N3CCCc4ccccc43)CC2)C1=O ZINC000019744739 569348751 /nfs/dbraw/zinc/34/87/51/569348751.db2.gz CNOQMEILBLTJAR-UHFFFAOYSA-N 1 0 411.546 2.483 40 0 HEABRO NC(=O)c1ccc(C2CCN(C(=O)CCC[NH+]3Cc4ccccc4C3)CC2)nc1N ZINC000019765763 569349037 /nfs/dbraw/zinc/34/90/37/569349037.db2.gz GPEILRPTNXTNRT-UHFFFAOYSA-N 1 0 407.518 2.265 40 0 HEABRO CCOC(=O)[C@]1(C[NH3+])[C@@H](c2ccc3c(c2)OCO3)[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000252516699 569388024 /nfs/dbraw/zinc/38/80/24/569388024.db2.gz VZNMCNOMUINIOL-QKNQBKEWSA-N 1 0 417.483 2.172 40 0 HEABRO CNc1cc(CN(C)C(=O)[C@@H](c2ccc(F)cc2)N(C)C)nc(C2CC[NH2+]CC2)n1 ZINC000019710169 569428918 /nfs/dbraw/zinc/42/89/18/569428918.db2.gz JKLGBKNNNNTETJ-HXUWFJFHSA-N 1 0 414.529 2.386 40 0 HEABRO CN1C[C@H]([NH2+]C2CCOCC2)CCC[C@@H](C(=O)NCc2cc(F)cc(F)c2)CC1=O ZINC000096113502 291205584 /nfs/dbraw/zinc/20/55/84/291205584.db2.gz JBBKROCNNUIKLZ-OXQOHEQNSA-N 1 0 423.504 2.367 40 0 biogenic,in-vitro HEABRO 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 291204559 /nfs/dbraw/zinc/20/45/59/291204559.db2.gz ONBDLKAADLMHFE-NXSPSLAJSA-N 1 0 411.498 2.479 40 0 biogenic,in-vitro HEABRO CN(C)c1ccc(NC(=S)NC[C@H]2C[C@@H]3CC[N@@H+]2C[C@@H]3CN2CCOCC2)cc1 ZINC000020503812 291205331 /nfs/dbraw/zinc/20/53/31/291205331.db2.gz IVPDLCMZPNGMEF-BBTUJRGHSA-N 1 0 417.623 2.082 40 0 biogenic,in-vitro HEABRO Cc1ccc(S(=O)(=O)NC[C@H]2C[C@@H]3CCN2C[C@@H]3C[NH+]2CCSCC2)cc1 ZINC000020503865 291210669 /nfs/dbraw/zinc/21/06/69/291210669.db2.gz XGCACYDHAWAXEA-GBESFXJTSA-N 1 0 409.621 2.033 40 0 biogenic,in-vitro HEABRO Nc1cccc(-c2cn(C[C@H]3C[C@@H]4CC[N@@H+]3C[C@@H]4C(=O)NCc3ccco3)nn2)c1 ZINC000008253925 291211497 /nfs/dbraw/zinc/21/14/97/291211497.db2.gz HTHYRPLAJHTJSZ-CVAIRZPRSA-N 1 0 406.490 2.147 40 0 biogenic,in-vitro HEABRO COc1ccccc1N1CC[NH+](C[C@H](O)COCCOc2ccc(F)cc2)CC1 ZINC000041690258 524557012 /nfs/dbraw/zinc/55/70/12/524557012.db2.gz OYAZWPNFXZROKZ-IBGZPJMESA-N 1 0 404.482 2.413 40 0 HEABRO Cc1ccc(S(=O)(=O)N(C)CC(=O)NCCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000032399167 525494632 /nfs/dbraw/zinc/49/46/32/525494632.db2.gz RDVAEPUCDQEKME-UHFFFAOYSA-N 1 0 415.559 2.180 40 0 HEABRO CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccccc1)[NH2+][C@]21c2ccccc2NC1=O ZINC000035375285 557531462 /nfs/dbraw/zinc/53/14/62/557531462.db2.gz HLDAZIGKCCKODR-CITAKDKDSA-N 1 0 403.482 2.448 40 0 HEABRO C[C@@H](C[NH+]1CCCCC1)NC(=O)Cn1cccc(C(=O)Nc2ccc(F)cc2)c1=O ZINC000019750736 558270780 /nfs/dbraw/zinc/27/07/80/558270780.db2.gz BXOOCKGJIPPUHC-INIZCTEOSA-N 1 0 414.481 2.230 40 0 HEABRO COc1ccc(NC(=O)C[C@H]2N=C(NC(=[NH2+])Nc3ccccc3)NC2=O)c(OC)c1 ZINC000022607424 558500908 /nfs/dbraw/zinc/50/09/08/558500908.db2.gz OSVQXEWZXNDMGC-OAHLLOKOSA-N 1 0 410.434 2.364 40 0 HEABRO COc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+](C)C)c2ccc(F)cc2)cc1 ZINC000013669889 558561561 /nfs/dbraw/zinc/56/15/61/558561561.db2.gz SCKNTFULUNVPIJ-UHFFFAOYSA-N 1 0 423.510 2.098 40 0 HEABRO CC(=O)c1cccc(N(CC(=O)NCCC[NH+]2CCCCCC2)S(C)(=O)=O)c1 ZINC000013669894 558561607 /nfs/dbraw/zinc/56/16/07/558561607.db2.gz WXXKLYXBTFIGMU-UHFFFAOYSA-N 1 0 409.552 2.038 40 0 HEABRO Cc1c(Cl)cccc1N(CC(=O)NCCC[NH+]1CCCCC1)S(C)(=O)=O ZINC000013670567 558561973 /nfs/dbraw/zinc/56/19/73/558561973.db2.gz BNPYZUWATJWIAJ-UHFFFAOYSA-N 1 0 401.960 2.407 40 0 HEABRO CC[C@H](C(=O)NCC[NH+]1CCCCC1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013715026 558578570 /nfs/dbraw/zinc/57/85/70/558578570.db2.gz HXTHIELCZMNIFP-QGZVFWFLSA-N 1 0 401.960 2.487 40 0 HEABRO Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)cc1 ZINC000017812177 558827973 /nfs/dbraw/zinc/82/79/73/558827973.db2.gz NZCSIUCIGNCEOG-UHFFFAOYSA-N 1 0 407.580 2.388 40 0 HEABRO C[C@H](C(=O)N1CCC(c2nc(-c3nccs3)cc(=O)[nH]2)CC1)[NH+]1CCCCC1 ZINC000019078040 558838478 /nfs/dbraw/zinc/83/84/78/558838478.db2.gz ZVUNRWYOAOXTIQ-CQSZACIVSA-N 1 0 401.536 2.474 40 0 HEABRO COc1cc(CCC(=O)N2CCC[C@H](c3nc4c(c(=O)[nH]3)C[N@H+](C)CC4)C2)ccc1C ZINC000019214641 558849756 /nfs/dbraw/zinc/84/97/56/558849756.db2.gz NWQCNCNLIHEOKN-SFHVURJKSA-N 1 0 424.545 2.414 40 0 HEABRO O=C(c1cccnc1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](C2CCCCC2)C3)C1 ZINC000019337359 558870363 /nfs/dbraw/zinc/87/03/63/558870363.db2.gz XTJVCWHOLFKIFW-QGZVFWFLSA-N 1 0 407.518 2.485 40 0 HEABRO COc1ccc(CC(=O)N2CCC[C@H]2c2nc3c(c(=O)[nH]2)C[N@@H+](C(C)C)CC3)cc1 ZINC000019448263 558886998 /nfs/dbraw/zinc/88/69/98/558886998.db2.gz VTJCLEDPELEUOK-FQEVSTJZSA-N 1 0 410.518 2.451 40 0 HEABRO CC(C)[N@@H+]1CCc2nc([C@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)[nH]c(=O)c2C1 ZINC000019448319 558887423 /nfs/dbraw/zinc/88/74/23/558887423.db2.gz RGXDEQVYBUPWCS-GOSISDBHSA-N 1 0 420.510 2.201 40 0 HEABRO COc1ccccc1CC(=O)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](C(C)C)CC2 ZINC000019448283 558887490 /nfs/dbraw/zinc/88/74/90/558887490.db2.gz YBWXFNYIDKBEAY-IBGZPJMESA-N 1 0 410.518 2.451 40 0 HEABRO COc1ccc(F)c([C@@H]2NC(=O)CC[C@H]2[NH2+]Cc2cn(CC(N)=O)c3ccccc23)c1 ZINC000019552673 558916082 /nfs/dbraw/zinc/91/60/82/558916082.db2.gz LYFOJMJASORVKO-XXBNENTESA-N 1 0 424.476 2.384 40 0 HEABRO Cc1nn(CC(=O)N2CCC[C@H]2c2nc3c(c(=O)[nH]2)CC[N@@H+](C(C)C)C3)c(C)c1C ZINC000019556468 558918845 /nfs/dbraw/zinc/91/88/45/558918845.db2.gz JANBSNMOHNSPTO-IBGZPJMESA-N 1 0 412.538 2.434 40 0 HEABRO COc1ccccc1C[N@@H+]1CCC[C@@H](c2nc3c(c(=O)[nH]2)CN(C(=O)C2CC2)CC3)C1 ZINC000019570348 558929149 /nfs/dbraw/zinc/92/91/49/558929149.db2.gz UXUCBTYCRDQUMN-GOSISDBHSA-N 1 0 422.529 2.453 40 0 HEABRO C[NH+](C)C[C@@H]1CN(S(=O)(=O)C2CCCCC2)C[C@H]1c1ccnc(N2CCCC2)n1 ZINC000019583336 558937901 /nfs/dbraw/zinc/93/79/01/558937901.db2.gz QBDIMYXPCMZWDY-IEBWSBKVSA-N 1 0 421.611 2.316 40 0 HEABRO CC1CCC(CNC(=O)CCn2cnc3c(cnn3C)c2=O)([NH+]2CCCCC2)CC1 ZINC000019662612 558953593 /nfs/dbraw/zinc/95/35/93/558953593.db2.gz BUKKCDMTRNDEOQ-UHFFFAOYSA-N 1 0 414.554 2.071 40 0 HEABRO CN(C)c1cc(C[NH+](C)C)nc([C@@H]2CCCN2C(=O)c2ccc3c(c2)OCCO3)n1 ZINC000072370069 558956305 /nfs/dbraw/zinc/95/63/05/558956305.db2.gz LZZKYLGPJAGGQD-KRWDZBQOSA-N 1 0 411.506 2.353 40 0 HEABRO CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@H]2CCCN2C(=O)C[NH+]2CCCC2)n1 ZINC000019689377 558958874 /nfs/dbraw/zinc/95/88/74/558958874.db2.gz UYVIDCWJCCVMBH-LJQANCHMSA-N 1 0 422.533 2.068 40 0 HEABRO Cn1c(=O)cc(C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+]2CCCCCC2)[nH]c1=O ZINC000019714476 558974397 /nfs/dbraw/zinc/97/43/97/558974397.db2.gz CXCVZKRLQPRJEC-KRWDZBQOSA-N 1 0 404.898 2.486 40 0 HEABRO COc1cc([C@@H]2c3cc4c(cc3O[C@H]([NH2+]CCO)[C@@H]2C)OCO4)cc(OC)c1O ZINC000073330532 558986012 /nfs/dbraw/zinc/98/60/12/558986012.db2.gz PLYMCEKNTUNNOM-GGBNCZTISA-N 1 0 403.431 2.207 40 0 HEABRO COc1cc(OC)cc(C(=O)N2CCC3(CO[C@H](C[NH+]4CCC(O)CC4)C3)CC2)c1 ZINC000585104244 559026838 /nfs/dbraw/zinc/02/68/38/559026838.db2.gz OQRHTKIJRVEBMO-NRFANRHFSA-N 1 0 418.534 2.172 40 0 HEABRO CN(C)c1ccc(CC(=O)N2CCC3(CO[C@H](C[N@@H+]4CCC[C@@H](O)C4)C3)CC2)cc1 ZINC000585104579 559027240 /nfs/dbraw/zinc/02/72/40/559027240.db2.gz QNZZBFPVQGNVDE-YADHBBJMSA-N 1 0 415.578 2.150 40 0 HEABRO 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 559028399 /nfs/dbraw/zinc/02/83/99/559028399.db2.gz SHTNCPCLSUQVFJ-DBVUQKKJSA-N 1 0 419.591 2.242 40 0 HEABRO CC[C@@H](C)C[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000585106153 559028467 /nfs/dbraw/zinc/02/84/67/559028467.db2.gz SLIYAIAVMXDTPE-RLLQIKCJSA-N 1 0 419.591 2.075 40 0 HEABRO C[NH+](C)CCN1C[C@H](c2ccccc2)[C@@]2(CN(C(=O)Cc3ccccc3)CCO2)C1=O ZINC000585106627 559028940 /nfs/dbraw/zinc/02/89/40/559028940.db2.gz CZFKQQCFUBGHDH-RDGATRHJSA-N 1 0 421.541 2.014 40 0 HEABRO CCOC(=O)[C@@]12C[N@@H+](C(C)C)C[C@@H]1CN(C(=O)c1cn(C)nc1C(F)F)CCC2 ZINC000585108092 559029846 /nfs/dbraw/zinc/02/98/46/559029846.db2.gz WSKVZSSFIUBQSW-XOBRGWDASA-N 1 0 412.481 2.483 40 0 HEABRO CNC(=O)[C@@]12CCC3(CCN(C(=O)NCc4cccc(OC)c4)CC3)[C@@H]1C[N@H+](C)C2 ZINC000096143838 559096226 /nfs/dbraw/zinc/09/62/26/559096226.db2.gz ABQQREZQUDABCL-WMZHIEFXSA-N 1 0 414.550 2.075 40 0 HEABRO COCC[N@@H+]1CC2(CCN(C(=O)c3sccc3C)CC2)[C@@]2(CCN(C)C2=O)C1 ZINC000096144256 559096536 /nfs/dbraw/zinc/09/65/36/559096536.db2.gz TURNHCZAYLYNJE-NRFANRHFSA-N 1 0 405.564 2.089 40 0 HEABRO CN(C)S(=O)(=O)N1CCC2(CC1)C[N@H+](Cc1cccnc1)Cc1ccccc12 ZINC000096242504 559104133 /nfs/dbraw/zinc/10/41/33/559104133.db2.gz JGEFFTXUIQKFPJ-UHFFFAOYSA-N 1 0 400.548 2.237 40 0 HEABRO O=C(NCc1cccnc1)[C@H]1Cn2ccnc2C2(CC[NH+](Cc3ccoc3)CC2)O1 ZINC000096243820 559104963 /nfs/dbraw/zinc/10/49/63/559104963.db2.gz NISKNFSXZLYILT-LJQANCHMSA-N 1 0 407.474 2.078 40 0 HEABRO CCOC(=O)N1CCC([N@@H+]2CCOC[C@@](O)(COc3ccc(F)c(C)c3)C2)CC1 ZINC000585283135 559120453 /nfs/dbraw/zinc/12/04/53/559120453.db2.gz QCHOGFYVMMYBIY-OAQYLSRUSA-N 1 0 410.486 2.197 40 0 HEABRO COc1ccccc1C[N@H+](C)C[C@@]1(O)CCN(C(=O)CCc2ccccc2)C[C@@H]1O ZINC000585283858 559120806 /nfs/dbraw/zinc/12/08/06/559120806.db2.gz IIIRPIDLXVMLMN-UPVQGACJSA-N 1 0 412.530 2.084 40 0 HEABRO COc1cccc(C[NH2+]C[C@@]2(O)CN(C(=O)c3ccc(Cl)cc3)CC[C@@H]2O)c1 ZINC000585284328 559121121 /nfs/dbraw/zinc/12/11/21/559121121.db2.gz JTIFHDLIHALDKA-PZJWPPBQSA-N 1 0 404.894 2.076 40 0 HEABRO CC(=O)N1CC[N@H+](CC2(O)CCCCCC2)C[C@](O)(COc2ccc(F)c(C)c2)C1 ZINC000585284723 559121338 /nfs/dbraw/zinc/12/13/38/559121338.db2.gz ZFZOQXRYAPWVHJ-HSZRJFAPSA-N 1 0 422.541 2.493 40 0 HEABRO O=C(c1ccc(Cl)cc1)N1CC[C@](O)(C[NH2+]Cc2cc(F)cc(F)c2)[C@@H](O)C1 ZINC000585285081 559121480 /nfs/dbraw/zinc/12/14/80/559121480.db2.gz NWFWVAOHVSNQGN-ICSRJNTNSA-N 1 0 410.848 2.346 40 0 HEABRO CC(=O)N1CC[N@H+](CC2(O)CCCCC2)C[C@@](O)(COc2cc(C)cc(C)c2)C1 ZINC000585286697 559122066 /nfs/dbraw/zinc/12/20/66/559122066.db2.gz HUURBTUOYKNPPH-QHCPKHFHSA-N 1 0 404.551 2.273 40 0 HEABRO O=C(Cc1ccc(Cl)cc1)N1C[C@@H](O)[C@](O)(C[NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000585291575 559123819 /nfs/dbraw/zinc/12/38/19/559123819.db2.gz RWLZMYQUUXRMOZ-AEFFLSMTSA-N 1 0 420.859 2.091 40 0 HEABRO O[C@]1(CN2CCC(F)(F)CC2)CC[N@H+](Cc2cccc(CN3CCOCC3)c2)C1 ZINC000257233168 559283890 /nfs/dbraw/zinc/28/38/90/559283890.db2.gz GOCLGIKTDXZOJM-NRFANRHFSA-N 1 0 409.521 2.187 40 0 HEABRO CCOCCOc1ccc(C[N@H+](C)C[C@]2(O)CCCN(c3ncccn3)C2)cc1 ZINC000257239736 559284029 /nfs/dbraw/zinc/28/40/29/559284029.db2.gz HQPIYEDOHXAPLF-JOCHJYFZSA-N 1 0 400.523 2.355 40 0 HEABRO CCOc1ccccc1N(CC(=O)NCCC[NH+]1CCCCCC1)S(C)(=O)=O ZINC000010111167 560779647 /nfs/dbraw/zinc/77/96/47/560779647.db2.gz VFNYMZWTTHXHSN-UHFFFAOYSA-N 1 0 411.568 2.234 40 0 HEABRO C[NH+]1CCC(NC(=O)CN2c3ccc(F)cc3-c3ccccc3S2(=O)=O)CC1 ZINC000219256385 568488652 /nfs/dbraw/zinc/48/86/52/568488652.db2.gz KCHRVKAQNRYMTC-UHFFFAOYSA-N 1 0 403.479 2.212 40 0 HEABRO COc1ccc(S(=O)(=O)N(C)c2cc(C(=O)NCC[NH+](C)C)ccc2C)cc1 ZINC000224326227 568577905 /nfs/dbraw/zinc/57/79/05/568577905.db2.gz KKOZKLFKJNAHQO-UHFFFAOYSA-N 1 0 405.520 2.120 40 0 HEABRO COc1cc(C[NH+]2CCC(NC(=S)NC[C@@H]3CCCO3)CC2)cc(OC)c1OC ZINC000225229409 568624649 /nfs/dbraw/zinc/62/46/49/568624649.db2.gz ACKWRBRWROYOKI-KRWDZBQOSA-N 1 0 423.579 2.320 40 0 HEABRO O=C(NCCC[NH+]1CCCC1)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000225548080 568649933 /nfs/dbraw/zinc/64/99/33/568649933.db2.gz HJPXTUCEQYDBRE-INIZCTEOSA-N 1 0 413.971 2.343 40 0 HEABRO C[NH+]1CCC(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccccc2)CC1 ZINC000225752438 568671298 /nfs/dbraw/zinc/67/12/98/568671298.db2.gz QTDLYFFPEJYFSS-UHFFFAOYSA-N 1 0 417.556 2.484 40 0 HEABRO Cc1cc(C(=O)N2CCC[C@@](O)(C[N@H+](C)Cc3ccc(F)cc3)CC2)[nH]c(=O)n1 ZINC000257252595 568791224 /nfs/dbraw/zinc/79/12/24/568791224.db2.gz JVIIVFKXJDFWQT-NRFANRHFSA-N 1 0 402.470 2.119 40 0 HEABRO Cc1cc(-c2cnc(N)nc2)cc([C@H]2CN(C(=O)CC[NH+]3CCC(C)CC3)CCO2)n1 ZINC000257273701 568796642 /nfs/dbraw/zinc/79/66/42/568796642.db2.gz NHTWZUATHYVHAA-OAQYLSRUSA-N 1 0 424.549 2.451 40 0 HEABRO CC(C)[NH+]1CCC(C(=O)NCC[C@@]23CCCC[C@@H]2c2c([nH]c(=O)[nH]c2=O)O3)CC1 ZINC000257319581 568810263 /nfs/dbraw/zinc/81/02/63/568810263.db2.gz VTCWFABXOXCLKV-VFNWGFHPSA-N 1 0 404.511 2.303 40 0 HEABRO Cc1cccc(N2CCC(O)(C[N@@H+]3CCC[C@](C(N)=O)(c4ccccn4)C3)CC2)c1 ZINC000257327617 568812398 /nfs/dbraw/zinc/81/23/98/568812398.db2.gz XCAZLHYETXCKGS-XMMPIXPASA-N 1 0 408.546 2.240 40 0 HEABRO COc1ccc(NC(=O)c2nnc3n2C[C@@H]2C[N@@H+](Cc4cccnc4)C[C@@H]2C3)cc1 ZINC000306130060 568892351 /nfs/dbraw/zinc/89/23/51/568892351.db2.gz IVMIAHAQDVTOES-IRXDYDNUSA-N 1 0 404.474 2.238 40 0 HEABRO O=C1N(CC2CC2)CCO[C@]12C[N@H+](Cc1ccc3c(c1)OCO3)C[C@H]2c1cccnc1 ZINC000306130079 568892395 /nfs/dbraw/zinc/89/23/95/568892395.db2.gz IVVUCJFNOPQVCL-RDPSFJRHSA-N 1 0 421.497 2.417 40 0 HEABRO O=c1c(=O)n(Cc2cccs2)nc2n1CC[C@]21CC[N@@H+](Cc2ccccc2F)C1 ZINC000306130330 568892787 /nfs/dbraw/zinc/89/27/87/568892787.db2.gz JCUQHNBMVVFXIC-NRFANRHFSA-N 1 0 412.490 2.201 40 0 HEABRO Cc1cccc(C[N@@H+]2CC[C@@]3(CCn4c3nn(Cc3cccs3)c(=O)c4=O)C2)c1 ZINC000306131184 568893503 /nfs/dbraw/zinc/89/35/03/568893503.db2.gz JYHGPNXXILFMOC-JOCHJYFZSA-N 1 0 408.527 2.371 40 0 HEABRO CCn1cc(C[N@@H+]2C[C@H](c3cn(C(C)C)cn3)[C@]3(CCN(CCOC)C3=O)C2)cn1 ZINC000306131461 568893672 /nfs/dbraw/zinc/89/36/72/568893672.db2.gz KFHHDUKEZGUQSN-KNQAVFIVSA-N 1 0 414.554 2.145 40 0 HEABRO CC(C)NC(=O)C1=NO[C@@]2(C1)CN(C(=O)C1CCC1)CC[C@H]2[NH2+]Cc1ccccc1 ZINC000306132120 568894305 /nfs/dbraw/zinc/89/43/05/568894305.db2.gz KZEKREXTPHJBTB-OFNKIYASSA-N 1 0 412.534 2.217 40 0 HEABRO CC(C)NC(=O)C1=NO[C@@]2(C1)CN(C(=O)C1CCC1)CC[C@@H]2[NH2+]Cc1ccccc1 ZINC000306132121 568894399 /nfs/dbraw/zinc/89/43/99/568894399.db2.gz KZEKREXTPHJBTB-REWPJTCUSA-N 1 0 412.534 2.217 40 0 HEABRO O=C1N(Cc2ccncc2)CCO[C@@]12C[N@H+](Cc1ccco1)C[C@@H]2c1cccnc1 ZINC000306132791 568895087 /nfs/dbraw/zinc/89/50/87/568895087.db2.gz LSEZDQOYRQUHQK-FYYLOGMGSA-N 1 0 404.470 2.467 40 0 HEABRO Cn1cc(C[N@@H+]2C[C@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccccc2)C3=O)cn1 ZINC000306133915 568895852 /nfs/dbraw/zinc/89/58/52/568895852.db2.gz MZDQKQLFWHTJCB-VWNXMTODSA-N 1 0 417.513 2.212 40 0 HEABRO COCCNC(=O)c1nnc2n1CC1(CC2)CC[NH+](Cc2ccc(C)s2)CC1 ZINC000306141400 568903040 /nfs/dbraw/zinc/90/30/40/568903040.db2.gz VUNOLERWTDTZIN-UHFFFAOYSA-N 1 0 403.552 2.253 40 0 HEABRO CC(C)(C)OC(=O)N[C@]1(C[NH3+])[C@@H](c2ccc(Br)cc2)[C@@H]1S(C)(=O)=O ZINC000218193447 568927952 /nfs/dbraw/zinc/92/79/52/568927952.db2.gz UUVZOKGAQXAXDM-HEHGZKQESA-N 1 0 419.341 2.182 40 0 HEABRO O=C(Nc1ccc(F)c(Cl)c1)N1CCN(c2cc(N3CCOCC3)cn[nH+]2)CC1 ZINC000224323439 569057329 /nfs/dbraw/zinc/05/73/29/569057329.db2.gz LADKBOQYEMZKIK-UHFFFAOYSA-N 1 0 420.876 2.460 40 0 HEABRO O=C(c1cccc2ccccc21)N1CCN(c2cn[nH+]c(N3CCOCC3)c2)CC1 ZINC000224328933 569057388 /nfs/dbraw/zinc/05/73/88/569057388.db2.gz BQXRFLSSOXYLCV-UHFFFAOYSA-N 1 0 403.486 2.429 40 0 HEABRO CC1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCCC[NH+](C)C)c2)CC1 ZINC000010111483 569342866 /nfs/dbraw/zinc/34/28/66/569342866.db2.gz YZZGURJBVKFFRI-UHFFFAOYSA-N 1 0 401.960 2.442 40 0 HEABRO C[C@@H](C(=O)NCCC[NH+]1CCCCC1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000010279240 569343210 /nfs/dbraw/zinc/34/32/10/569343210.db2.gz NYCZWWHUNDGUBQ-HNNXBMFYSA-N 1 0 401.960 2.487 40 0 HEABRO CCC(=O)N1CCC(N2C(=O)NC3(CC[NH+](CCc4ccccc4)CC3)C2=O)CC1 ZINC000019699317 569346969 /nfs/dbraw/zinc/34/69/69/569346969.db2.gz HBBXRPIRZGEGJM-UHFFFAOYSA-N 1 0 412.534 2.017 40 0 HEABRO CN(C)c1cc(CN(C)C(=O)c2ccc3c(c2)OCCO3)nc([C@@H]2CCC[NH2+]C2)n1 ZINC000019709672 569348033 /nfs/dbraw/zinc/34/80/33/569348033.db2.gz FIRTYAJKPQDNJT-MRXNPFEDSA-N 1 0 411.506 2.053 40 0 HEABRO CC(=O)N1CCC([N@H+]2C[C@H]3C[C@H](Cn4c(=O)ccc(NC(=O)C(C)(C)C)c43)C2)CC1 ZINC000008300418 291202626 /nfs/dbraw/zinc/20/26/26/291202626.db2.gz MAQOGIQYESNWDN-DLBZAZTESA-N 1 0 414.550 2.263 40 0 biogenic,in-vitro HEABRO COc1ccc(C[NH+]2CCC(O)(c3csc(CN4CCN(C)CC4)n3)CC2)cc1 ZINC000225471457 291208264 /nfs/dbraw/zinc/20/82/64/291208264.db2.gz PVTYAZCSXMCNPE-UHFFFAOYSA-N 1 0 416.591 2.383 40 0 biogenic,in-vitro HEABRO O=C(NCc1ccccc1)[C@H]1C[N@H+]2CC[C@@H]1C[C@@H]2Cn1cc(C2(O)CCCC2)nn1 ZINC000008299732 291212010 /nfs/dbraw/zinc/21/20/10/291212010.db2.gz NLBYNTMTPJRQBU-AQNXPRMDSA-N 1 0 409.534 2.067 40 0 biogenic,in-vitro HEABRO CN(C)S(=O)(=O)c1cccc(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000032398812 521996510 /nfs/dbraw/zinc/99/65/10/521996510.db2.gz JJURZZYGWYPYIX-UHFFFAOYSA-N 1 0 401.532 2.115 40 0 HEABRO O=C(C[N@@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000004028927 557505843 /nfs/dbraw/zinc/50/58/43/557505843.db2.gz CQWNDXGVDUSZRS-CVEARBPZSA-N 1 0 420.488 2.473 40 0 HEABRO CCOc1ccc(N([C@@H](C)C(=O)NCCC[NH+]2CCCCC2)S(C)(=O)=O)cc1 ZINC000010278153 557858149 /nfs/dbraw/zinc/85/81/49/557858149.db2.gz IMIDASNYYJVTKW-KRWDZBQOSA-N 1 0 411.568 2.232 40 0 HEABRO Cn1c(=O)c2ccc([C@@H]3CCC[N@H+](Cc4ccc5[nH]ccc5c4)C3)nc2n(C)c1=O ZINC000019743006 558263238 /nfs/dbraw/zinc/26/32/38/558263238.db2.gz BUXKPEHGVAARBH-QGZVFWFLSA-N 1 0 403.486 2.493 40 0 HEABRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1cccn(CC(=O)Nc2ccc(F)cc2)c1=O ZINC000019750167 558270328 /nfs/dbraw/zinc/27/03/28/558270328.db2.gz KYIIUNAMBHFWAP-MRXNPFEDSA-N 1 0 414.481 2.230 40 0 HEABRO C[NH+](C)CCCNC(=O)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 ZINC000020450644 558365312 /nfs/dbraw/zinc/36/53/12/558365312.db2.gz OBLDHGHQILAQAB-UHFFFAOYSA-N 1 0 419.950 2.089 40 0 HEABRO CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@@H]1c1ccc(OC)cc1 ZINC000020636757 558396169 /nfs/dbraw/zinc/39/61/69/558396169.db2.gz UZWLBXWFISULRZ-WOJBJXKFSA-N 1 0 407.470 2.460 40 0 HEABRO CCOc1ccccc1N(CC(=O)NCCC[NH+](C)C)S(=O)(=O)c1ccccc1 ZINC000013670510 558561877 /nfs/dbraw/zinc/56/18/77/558561877.db2.gz ZVLVERXCADAISQ-UHFFFAOYSA-N 1 0 419.547 2.349 40 0 HEABRO COc1cc(C[N@@H+]2CC[C@@](O)(c3ccccc3)C2)ccc1OCCN1CCOCC1 ZINC000036743628 558802502 /nfs/dbraw/zinc/80/25/02/558802502.db2.gz MFXJCMJTJJGBBX-DEOSSOPVSA-N 1 0 412.530 2.500 40 0 HEABRO C[C@@H](C(=O)N1CCC(c2nc(-c3nccs3)cc(=O)[nH]2)CC1)[NH+]1CCCCC1 ZINC000019078043 558838601 /nfs/dbraw/zinc/83/86/01/558838601.db2.gz ZVUNRWYOAOXTIQ-AWEZNQCLSA-N 1 0 401.536 2.474 40 0 HEABRO Cc1cnc(C(=O)N2CCC[C@H]2CN2Cc3ccccc3OC[C@@H]2C[NH+](C)C)cn1 ZINC000019238884 558857558 /nfs/dbraw/zinc/85/75/58/558857558.db2.gz XISZDQYKCTYDHA-PMACEKPBSA-N 1 0 409.534 2.214 40 0 HEABRO CC(C)[N@@H+]1CCc2nc([C@@H]3CCCCN3S(=O)(=O)c3ccccc3)[nH]c(=O)c2C1 ZINC000019448204 558887080 /nfs/dbraw/zinc/88/70/80/558887080.db2.gz RMSRTAHRCAQJTN-IBGZPJMESA-N 1 0 416.547 2.452 40 0 HEABRO COc1ccccc1CC(=O)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](C(C)C)CC2 ZINC000019448281 558887167 /nfs/dbraw/zinc/88/71/67/558887167.db2.gz YBWXFNYIDKBEAY-LJQANCHMSA-N 1 0 410.518 2.451 40 0 HEABRO Cc1nn(CC(=O)N2CCC[C@@H]2c2nc3c(c(=O)[nH]2)CC[N@@H+](C(C)C)C3)c(C)c1C ZINC000019556471 558918883 /nfs/dbraw/zinc/91/88/83/558918883.db2.gz JANBSNMOHNSPTO-LJQANCHMSA-N 1 0 412.538 2.434 40 0 HEABRO Cc1oc(C(=O)N(C[C@@H]2CCCO2)C2CC[NH+](C)CC2)cc1CN1CCOCC1 ZINC000019582463 558937289 /nfs/dbraw/zinc/93/72/89/558937289.db2.gz HNGMWCXXBBMBPE-FQEVSTJZSA-N 1 0 405.539 2.136 40 0 HEABRO CNc1nc([C@@H]2CCC[N@H+](C)C2)nc2c1CN(S(=O)(=O)c1ccc(F)cc1)CC2 ZINC000072372302 558959600 /nfs/dbraw/zinc/95/96/00/558959600.db2.gz APQVMYKYXHWRRT-CQSZACIVSA-N 1 0 419.526 2.214 40 0 HEABRO C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC(c2ccc(Nc3cnccn3)cn2)CC1 ZINC000072374247 558961651 /nfs/dbraw/zinc/96/16/51/558961651.db2.gz XRXASRBFLGFGFD-QGZVFWFLSA-N 1 0 410.522 2.290 40 0 HEABRO CC(C)[NH+]1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)Cc3ccccc3)C1)C2=O ZINC000019699844 558966732 /nfs/dbraw/zinc/96/67/32/558966732.db2.gz CXDKSNNPEPWULB-LJQANCHMSA-N 1 0 412.534 2.015 40 0 HEABRO COc1ncc([C@@]2(O)CC[C@@H]3C[N@H+](Cc4ccccc4-n4cccn4)C[C@@H]32)c(OC)n1 ZINC000072395407 558974374 /nfs/dbraw/zinc/97/43/74/558974374.db2.gz IXSDSBPWARIWBL-ICPLQIHGSA-N 1 0 421.501 2.409 40 0 HEABRO Cn1c(=O)cc(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCCCC2)[nH]c1=O ZINC000019714473 558974368 /nfs/dbraw/zinc/97/43/68/558974368.db2.gz LUKOIYFOGYATHO-QGZVFWFLSA-N 1 0 404.898 2.486 40 0 HEABRO O=C(CC[NH+]1CCCCC1)NC[C@@H]1CCC2(CCN(c3ncccn3)CC2)CO1 ZINC000585101110 559024664 /nfs/dbraw/zinc/02/46/64/559024664.db2.gz DVKLOVFVYQAHLR-IBGZPJMESA-N 1 0 401.555 2.234 40 0 HEABRO COc1cc(OC)cc(C(=O)N2CCC3(CO[C@H](C[N@@H+]4CCC[C@@H](O)C4)C3)CC2)c1 ZINC000585103081 559026397 /nfs/dbraw/zinc/02/63/97/559026397.db2.gz CIIRWZWYQWNSES-NQIIRXRSSA-N 1 0 418.534 2.172 40 0 HEABRO COC[C@@H]1CC2(C[N@@H+]1Cc1cccnc1)CCN(C(=O)CCc1cncnc1)CC2 ZINC000585103248 559026559 /nfs/dbraw/zinc/02/65/59/559026559.db2.gz AWUKOVWDJZWHEU-NRFANRHFSA-N 1 0 409.534 2.334 40 0 HEABRO O=C1C[C@@]2(CN1c1ccncn1)COCC[N@H+](Cc1ccc(-c3csnn3)cc1)C2 ZINC000585104487 559027038 /nfs/dbraw/zinc/02/70/38/559027038.db2.gz OJAULVXGDTZREW-OAQYLSRUSA-N 1 0 422.514 2.251 40 0 HEABRO CCOC(=O)[C@@]12C[N@H+](Cc3cccc(C)n3)C[C@@H]1CN(C(=O)c1cnccn1)CCC2 ZINC000096056091 559094015 /nfs/dbraw/zinc/09/40/15/559094015.db2.gz KNAMOATXEQFDRG-JPYJTQIMSA-N 1 0 423.517 2.098 40 0 HEABRO CN1CC[NH+](C[C@@H]2CO[C@]3(C2)CCCN(C(=O)c2cccc4cccnc42)C3)CC1 ZINC000096075628 559094518 /nfs/dbraw/zinc/09/45/18/559094518.db2.gz UWNXBPIFUKVYHA-DVECYGJZSA-N 1 0 408.546 2.494 40 0 HEABRO CN(C)C(=O)[C@@]12C[N@H+](Cc3cnn(C)c3)C[C@@H]1CN(C(=O)CC1CCCC1)CCC2 ZINC000096083071 559094902 /nfs/dbraw/zinc/09/49/02/559094902.db2.gz IZJRIYJNCZPTGE-OFNKIYASSA-N 1 0 415.582 2.129 40 0 HEABRO COc1cccc(CN2Cc3ccccc3[C@@]23CO[C@@H](C(=O)NCC[NH+](C)C)C3)c1 ZINC000096143938 559096422 /nfs/dbraw/zinc/09/64/22/559096422.db2.gz JCOMOFLPPAQMMC-ISKFKSNPSA-N 1 0 409.530 2.373 40 0 HEABRO CN1CC[C@@]2(C[N@H+](Cc3cccnc3)CC23CCN(C(=O)N2CCCC2)CC3)C1=O ZINC000096144292 559096495 /nfs/dbraw/zinc/09/64/95/559096495.db2.gz DHSJNCFRDRNJML-HSZRJFAPSA-N 1 0 411.550 2.044 40 0 HEABRO COCC[N@H+](C)C[C@H]1CO[C@]2(C1)CCCN(C(=O)c1nn(C)c3ccccc31)C2 ZINC000096228492 559102884 /nfs/dbraw/zinc/10/28/84/559102884.db2.gz RKVOSAMHVZNAQF-JTSKRJEESA-N 1 0 400.523 2.163 40 0 HEABRO CN(C)C(=O)[C@@]12C[N@H+](Cc3cnn(C)c3)C[C@@H]1CN(C(=O)Nc1ccccc1)CCC2 ZINC000096251296 559105409 /nfs/dbraw/zinc/10/54/09/559105409.db2.gz DOOJHVZTQDIPMS-XXBNENTESA-N 1 0 424.549 2.254 40 0 HEABRO CC[N@@H+]1CC[C@@]2(C(=O)N3CCCC3)CCN(S(=O)(=O)c3ccccc3)CC[C@@H]12 ZINC000096263649 559107195 /nfs/dbraw/zinc/10/71/95/559107195.db2.gz DREBRZNWNRYQEA-TZIWHRDSSA-N 1 0 405.564 2.174 40 0 HEABRO CCOC(=O)N1CCC([N@@H+]2CC[C@H](O)[C@@](O)(COc3cccc(Cl)c3)C2)CC1 ZINC000585282647 559120162 /nfs/dbraw/zinc/12/01/62/559120162.db2.gz MBIYJJADGHTSBC-ICSRJNTNSA-N 1 0 412.914 2.137 40 0 HEABRO O=C1CO[C@H]2C[N@@H+](C[C@@]3(O)CC[C@H](c4ccccc4)CC3)C[C@@H]2N1C1CCOCC1 ZINC000585283218 559120563 /nfs/dbraw/zinc/12/05/63/559120563.db2.gz LZPAOTFYOGMVDN-NRTAZHGZSA-N 1 0 414.546 2.166 40 0 HEABRO CCOC(=O)N1CCC([N@@H+]2CC[C@H](O)[C@@](O)(COc3c(C)ccc(C)c3C)C2)CC1 ZINC000585285894 559121701 /nfs/dbraw/zinc/12/17/01/559121701.db2.gz DPIOAVVSJGAZEG-REWPJTCUSA-N 1 0 420.550 2.409 40 0 HEABRO O=C(c1ccccc1)N1CC[C@H](O)[C@@](O)(C[NH2+]Cc2ccc(C(F)(F)F)cc2)C1 ZINC000585286239 559121786 /nfs/dbraw/zinc/12/17/86/559121786.db2.gz YCHPVOGSCRFZPT-AZUAARDMSA-N 1 0 408.420 2.433 40 0 HEABRO C[N@H+](CCc1ccccc1)C[C@@]1(O)CN(C(=O)c2ccc(Cl)cc2)CC[C@@H]1O ZINC000585286177 559121814 /nfs/dbraw/zinc/12/18/14/559121814.db2.gz WNZSDSBZCFHHMA-RBBKRZOGSA-N 1 0 402.922 2.452 40 0 HEABRO O=C(c1ccsc1)N1CCC2(C[N@H+](Cc3cccnc3)C[C@@]23CCNC3=O)CC1 ZINC000097952841 559124977 /nfs/dbraw/zinc/12/49/77/559124977.db2.gz YUNYXTGZOSTXEW-JOCHJYFZSA-N 1 0 410.543 2.388 40 0 HEABRO CCN1CC[C@@]2(C[N@H+](CCOC)CC23CCN(C(=O)Cc2ccsc2)CC3)C1=O ZINC000103475243 559156038 /nfs/dbraw/zinc/15/60/38/559156038.db2.gz JTRZBDVBXNDVFP-JOCHJYFZSA-N 1 0 419.591 2.100 40 0 HEABRO COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)[C@@H]([NH3+])CO ZINC000001892617 559274189 /nfs/dbraw/zinc/27/41/89/559274189.db2.gz IXWNTLSTOZFSCM-YVACAVLKSA-N 1 0 402.447 2.150 40 0 investigational HEABRO O=C(NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCC(O)CC2)CC1)c1cnco1 ZINC000257329784 559283350 /nfs/dbraw/zinc/28/33/50/559283350.db2.gz XLNKXBDTPVECHU-JTAQYXEDSA-N 1 0 413.518 2.103 40 0 HEABRO Cc1cc(=O)n2c(n1)NC(N1CCC([NH+]3CCCCC3)CC1)=N[C@H]2c1cccnc1 ZINC000009265094 560757739 /nfs/dbraw/zinc/75/77/39/560757739.db2.gz BDTMLSTWDSPABD-HXUWFJFHSA-N 1 0 407.522 2.225 40 0 HEABRO CCOc1ccc(N(CC(=O)NCCC[NH+](C)C)S(=O)(=O)c2ccccc2)cc1 ZINC000010111357 560763792 /nfs/dbraw/zinc/76/37/92/560763792.db2.gz GEDWBSZAOYSWMZ-UHFFFAOYSA-N 1 0 419.547 2.349 40 0 HEABRO CCc1ccccc1N(CC(=O)NCC[NH+](C)C)S(=O)(=O)c1ccc(C)cc1 ZINC000010111539 560763839 /nfs/dbraw/zinc/76/38/39/560763839.db2.gz UQYAGIKFWJBBQN-UHFFFAOYSA-N 1 0 403.548 2.431 40 0 HEABRO CC[NH+]1CCN([C@@H](c2nnnn2Cc2ccc3c(c2)OCO3)c2ccc(F)cc2)CC1 ZINC000019528011 560874721 /nfs/dbraw/zinc/87/47/21/560874721.db2.gz FOROIRCVIOWITM-OAQYLSRUSA-N 1 0 424.480 2.316 40 0 HEABRO COCCn1nnnc1[C@@H](c1ccc(F)cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000019593955 560875072 /nfs/dbraw/zinc/87/50/72/560875072.db2.gz IFUYWITZQNSCKR-HXUWFJFHSA-N 1 0 402.518 2.498 40 0 HEABRO C[C@H](C(=O)NC1CC[NH+](C)CC1)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000220441671 568505535 /nfs/dbraw/zinc/50/55/35/568505535.db2.gz RQVWQOOVXIDTIZ-LLVKDONJSA-N 1 0 408.351 2.358 40 0 HEABRO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)c(C)n1-n1cnnc1 ZINC000223216574 568541266 /nfs/dbraw/zinc/54/12/66/568541266.db2.gz ZRGQKNZLGCLANF-VQTJNVASSA-N 1 0 424.578 2.327 40 0 HEABRO CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCC[NH+]1CCCCC1 ZINC000223427929 568548755 /nfs/dbraw/zinc/54/87/55/568548755.db2.gz SGDAJSHSOZQQEN-LJQANCHMSA-N 1 0 411.568 2.232 40 0 HEABRO COc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)NCCC[NH+](C)C)c2)cc1 ZINC000224283808 568576464 /nfs/dbraw/zinc/57/64/64/568576464.db2.gz QGEDCQYEGJOTAL-UHFFFAOYSA-N 1 0 405.520 2.202 40 0 HEABRO Oc1cccnc1C[N@@H+]1CC[C@@]2(C1)COCc1cnc(NCC3CCOCC3)nc12 ZINC000248069862 568747116 /nfs/dbraw/zinc/74/71/16/568747116.db2.gz XODVTMLTGWOKQK-JOCHJYFZSA-N 1 0 411.506 2.090 40 0 HEABRO CN(C[C@@]1(O)CCCN(c2ccnc3ccncc32)C1)C(=O)CCC[NH+]1CCCC1 ZINC000257208130 568778482 /nfs/dbraw/zinc/77/84/82/568778482.db2.gz BKWUUQXULINEPM-QHCPKHFHSA-N 1 0 411.550 2.296 40 0 HEABRO Cn1cnc(S(=O)(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCC[C@H]4[NH2+][C@@H]3Cc2ccccc2)c1 ZINC000257230460 568784855 /nfs/dbraw/zinc/78/48/55/568784855.db2.gz GCLZIPWIOGDIGU-KYHREEPGSA-N 1 0 400.548 2.325 40 0 HEABRO Cc1ccc(N2CCC(O)(C[N@@H+]3CCC[C@@](C(N)=O)(c4ccccn4)C3)CC2)cc1 ZINC000257244303 568788732 /nfs/dbraw/zinc/78/87/32/568788732.db2.gz IKSXSYPQGFPMLK-DEOSSOPVSA-N 1 0 408.546 2.240 40 0 HEABRO O=C(c1ccc2n[nH]nc2c1)N1CCC[C@](O)(C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000257259595 568792720 /nfs/dbraw/zinc/79/27/20/568792720.db2.gz KZASYWKRJFSSOP-HSZRJFAPSA-N 1 0 405.502 2.373 40 0 HEABRO O=C1N(Cc2ccncc2)CCO[C@@]12C[N@H+](Cc1ccncc1)C[C@@H]2c1cccnc1 ZINC000306123032 568886165 /nfs/dbraw/zinc/88/61/65/568886165.db2.gz ACWVAYMRIVOQMH-ISKFKSNPSA-N 1 0 415.497 2.269 40 0 HEABRO O=C(c1ccccc1)N1CCc2nc3n(c(=O)c2C1)CC1(C3)CC[NH+](CC2CC2)CC1 ZINC000306123253 568886438 /nfs/dbraw/zinc/88/64/38/568886438.db2.gz AILVKZPNTFRENH-UHFFFAOYSA-N 1 0 418.541 2.490 40 0 HEABRO COc1ccccc1C[N@@H+]1CCOC[C@@]2(CC[C@H](CNC(=O)c3cccnc3)O2)C1 ZINC000306125769 568888564 /nfs/dbraw/zinc/88/85/64/568888564.db2.gz DBVZISPYSRIZPL-NFBKMPQASA-N 1 0 411.502 2.270 40 0 HEABRO COc1ccccc1C[N@@H+]1CCOC[C@@]2(CC[C@@H](CNC(=O)c3cccnc3)O2)C1 ZINC000306125770 568888609 /nfs/dbraw/zinc/88/86/09/568888609.db2.gz DBVZISPYSRIZPL-NZQKXSOJSA-N 1 0 411.502 2.270 40 0 HEABRO Cc1cccc(C[N@@H+]2C[C@@H]3Cn4c(nnc4C(=O)NCc4ccccc4)C[C@@H]3C2)n1 ZINC000306127359 568890338 /nfs/dbraw/zinc/89/03/38/568890338.db2.gz FWRSIHHKEGEYJR-RTBURBONSA-N 1 0 402.502 2.216 40 0 HEABRO O=C(C1=NO[C@H]2CCC3(CC[NH+](Cc4ccc5c[nH]nc5c4)CC3)[C@@H]12)N1CC(F)C1 ZINC000306137034 568898811 /nfs/dbraw/zinc/89/88/11/568898811.db2.gz QJQBTNQVIYMCOD-RBUKOAKNSA-N 1 0 411.481 2.490 40 0 HEABRO O=C(NCc1ccncc1)c1nnc2n1CC1(CC[NH+](Cc3ccccc3)CC1)OC2 ZINC000306137978 568899809 /nfs/dbraw/zinc/89/98/09/568899809.db2.gz RLRZGXQIVJZOGZ-UHFFFAOYSA-N 1 0 418.501 2.168 40 0 HEABRO CN1Cc2nnc(C(=O)NC3CCCCC3)n2C[C@@]12CC[N@H+](Cc1ccsc1)C2 ZINC000306141631 568903009 /nfs/dbraw/zinc/90/30/09/568903009.db2.gz WCMRHCGXGNMUBJ-NRFANRHFSA-N 1 0 414.579 2.492 40 0 HEABRO CC(C)(C)OC(=O)N[C@@]1(C[NH3+])[C@H](c2ccc(Br)cc2)[C@@H]1S(C)(=O)=O ZINC000218193246 568927822 /nfs/dbraw/zinc/92/78/22/568927822.db2.gz UUVZOKGAQXAXDM-WWGRRREGSA-N 1 0 419.341 2.182 40 0 HEABRO CCc1ccc(S(=O)(=O)N(CCC[NH+](CC)CC)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000575421049 569025793 /nfs/dbraw/zinc/02/57/93/569025793.db2.gz MQCVCXJMAFGPOJ-SFHVURJKSA-N 1 0 416.609 2.159 40 0 HEABRO COc1cc(C(=O)Nc2cc(N)ccc2N2CC[NH+](C)CC2)cc(OC)c1OC ZINC000226259750 569278640 /nfs/dbraw/zinc/27/86/40/569278640.db2.gz CDFRRBPWYCHSHQ-UHFFFAOYSA-N 1 0 400.479 2.299 40 0 HEABRO COc1ccc(OC)c(N2C[C@@H](C(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@H]34)CC2=O)c1 ZINC000225420641 569284838 /nfs/dbraw/zinc/28/48/38/569284838.db2.gz FWRCJYBVEAARJG-ZIFCJYIRSA-N 1 0 415.534 2.437 40 0 HEABRO O=C([C@H]1CCCO1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](C2CCCCC2)C3)C1 ZINC000019014899 569345156 /nfs/dbraw/zinc/34/51/56/569345156.db2.gz ZEAJTFDOYZDYTO-HNAYVOBHSA-N 1 0 400.523 2.368 40 0 HEABRO O=C(C1CC1)N1CCC[C@@H](N2C(=O)NC3(CC[NH+](CCc4ccccc4)CC3)C2=O)C1 ZINC000019699968 569347090 /nfs/dbraw/zinc/34/70/90/569347090.db2.gz FZYMFGZSHVVHBM-HXUWFJFHSA-N 1 0 424.545 2.017 40 0 HEABRO COc1ccc([C@@]2(O)C[N+](c3c(C)n(C)n(-c4ccccc4)c3=O)=C3CCCN32)cc1 ZINC000027525041 569363703 /nfs/dbraw/zinc/36/37/03/569363703.db2.gz SOENANIZCGIYBO-DEOSSOPVSA-N 1 0 419.505 2.363 40 0 HEABRO Cc1ccc(C)c(N(CC(=O)NCCC[NH+]2CCC(C)CC2)S(=O)(=O)N(C)C)c1 ZINC000020046994 524117610 /nfs/dbraw/zinc/11/76/10/524117610.db2.gz IVJFJEXOSVMUOA-UHFFFAOYSA-N 1 0 424.611 2.154 40 0 HEABRO Cn1c(=O)c2ccc([C@H]3CCC[N@H+](Cc4ccc5[nH]ccc5c4)C3)nc2n(C)c1=O ZINC000019743008 558263230 /nfs/dbraw/zinc/26/32/30/558263230.db2.gz BUXKPEHGVAARBH-KRWDZBQOSA-N 1 0 403.486 2.493 40 0 HEABRO COCC(=O)NCc1cnc2cc(C)nn2c1C1CC[NH+](Cc2ccncc2)CC1 ZINC000019743676 558264181 /nfs/dbraw/zinc/26/41/81/558264181.db2.gz TVFWNPWAOUEOEE-UHFFFAOYSA-N 1 0 408.506 2.075 40 0 HEABRO C[NH+]1CCC(NS(=O)(=O)c2ccc3c(c2)[C@H](NC(=O)c2ccccc2)CC3)CC1 ZINC000019749535 558269115 /nfs/dbraw/zinc/26/91/15/558269115.db2.gz MCVXWUMDBJSRJA-OAQYLSRUSA-N 1 0 413.543 2.476 40 0 HEABRO [NH2+]=C(NC1=N[C@H](CC(=O)Nc2ccc3c(c2)OCCO3)C(=O)N1)Nc1ccccc1 ZINC000022607372 558500862 /nfs/dbraw/zinc/50/08/62/558500862.db2.gz YSRXAUUSIJMTBT-CQSZACIVSA-N 1 0 408.418 2.118 40 0 HEABRO Cc1ccc([C@H](CNC(=O)c2cc(-c3cnn(C)c3)on2)N2CC[NH+](C)CC2)cc1 ZINC000022888255 558518925 /nfs/dbraw/zinc/51/89/25/558518925.db2.gz YJCVPFCTBSRHKH-FQEVSTJZSA-N 1 0 408.506 2.102 40 0 HEABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+](C)C)c2ccccc2F)cc1 ZINC000013671077 558562308 /nfs/dbraw/zinc/56/23/08/558562308.db2.gz FMWGXFRGIKLSKB-UHFFFAOYSA-N 1 0 407.511 2.397 40 0 HEABRO Cc1cnc(C(=O)N2CC[C@H](c3nc4c(c(=O)[nH]3)CC[N@@H+](C3CCCCC3)C4)C2)cn1 ZINC000019238826 558857536 /nfs/dbraw/zinc/85/75/36/558857536.db2.gz IBHKIOHXRJFDHT-INIZCTEOSA-N 1 0 422.533 2.189 40 0 HEABRO Cc1csc([C@H](Cc2cccs2)NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)n1 ZINC000019240027 558858660 /nfs/dbraw/zinc/85/86/60/558858660.db2.gz HPGFJRATKNEXLP-HOCLYGCPSA-N 1 0 406.577 2.323 40 0 HEABRO O=C(C[N@H+]1CC[C@H]2[C@@H](C1)[C@H](c1ccc(F)cc1)CN2C(=O)c1ccccn1)NC1CC1 ZINC000019400281 558882928 /nfs/dbraw/zinc/88/29/28/558882928.db2.gz KBGKBJOYIGIISO-ONTIZHBOSA-N 1 0 422.504 2.429 40 0 HEABRO OCCn1ncc(-c2ccnc(N3CCCC3)n2)c1[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000019404192 558884414 /nfs/dbraw/zinc/88/44/14/558884414.db2.gz BECVHGKLUADVEO-HXUWFJFHSA-N 1 0 412.538 2.249 40 0 HEABRO CCN1CC[NH+](C2CCN(C(=O)CCCc3nc(-c4ccccn4)no3)CC2)CC1 ZINC000019528124 558909221 /nfs/dbraw/zinc/90/92/21/558909221.db2.gz LBQSEFGGSXXVPW-UHFFFAOYSA-N 1 0 412.538 2.083 40 0 HEABRO COc1cc2c(cc1C[N@@H+]1C[C@@H](c3ccncc3)[C@]3(C1)CCCC(=O)N3)OCCO2 ZINC000019550613 558915225 /nfs/dbraw/zinc/91/52/25/558915225.db2.gz QTHSIVUEGXQBRX-FDDCHVKYSA-N 1 0 409.486 2.500 40 0 HEABRO COc1ccccc1C[N@@H+]1CC[C@@H](c2nc3c(c(=O)[nH]2)CCN(C(=O)C2CCC2)C3)C1 ZINC000019570072 558928899 /nfs/dbraw/zinc/92/88/99/558928899.db2.gz BWOXSLARLVLJHP-GOSISDBHSA-N 1 0 422.529 2.453 40 0 HEABRO COc1ccc(NC(=O)[C@@H]2C[N@H+](C)C[C@]23CCc2ccccc2C(=O)N3)cc1OC ZINC000072334475 558935704 /nfs/dbraw/zinc/93/57/04/558935704.db2.gz SNXPNSGQOUJGLB-FDDCHVKYSA-N 1 0 409.486 2.319 40 0 HEABRO C[NH+](C)CC(=O)N1CCc2nc([C@@H]3CCCN3Cc3cccs3)[nH]c(=O)c2C1 ZINC000019581792 558937155 /nfs/dbraw/zinc/93/71/55/558937155.db2.gz KUACYYWDXIITFM-KRWDZBQOSA-N 1 0 401.536 2.027 40 0 HEABRO CN1CCN(c2nccc(C[N@H+]3C[C@H]4[C@H](CC[C@]4(O)c4ccc(F)cc4)C3)n2)CC1 ZINC000072340412 558939106 /nfs/dbraw/zinc/93/91/06/558939106.db2.gz BRNJLPNTXYLCOG-FHZYATBESA-N 1 0 411.525 2.097 40 0 HEABRO C[C@@]12CC[C@@H](C[C@@H]1C(=O)NCC[NH+]1CCCCC1)[C@]1(C2)NC(=O)c2cccnc2N1 ZINC000072342634 558940676 /nfs/dbraw/zinc/94/06/76/558940676.db2.gz HRJRKHBJKIHOJX-GFHCSAFJSA-N 1 0 411.550 2.362 40 0 HEABRO 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 558943068 /nfs/dbraw/zinc/94/30/68/558943068.db2.gz JKOAALIAIJEOTA-OTWHFAOWSA-N 1 0 421.541 2.342 40 0 HEABRO COC(=O)Cn1cc(C[N@@H+]2CCc3nc(N4CCCC4)[nH]c(=O)c3C2)c2ccccc21 ZINC000019592512 558943244 /nfs/dbraw/zinc/94/32/44/558943244.db2.gz GUOAOGRNSOFPGD-UHFFFAOYSA-N 1 0 421.501 2.056 40 0 HEABRO COCc1cc(=O)[nH]c([C@@H]2CCC[N@H+](Cc3cc(OC)c(OC)c(OC)c3)C2)n1 ZINC000019594301 558945105 /nfs/dbraw/zinc/94/51/05/558945105.db2.gz JYDDPNDWQPJCEJ-OAHLLOKOSA-N 1 0 403.479 2.322 40 0 HEABRO CCCO[C@H]1CCC[N@H+](CC(=O)N2CC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)C1 ZINC000072373084 558960939 /nfs/dbraw/zinc/96/09/39/558960939.db2.gz UMUHEGOBNPTIDY-OALUTQOASA-N 1 0 416.566 2.177 40 0 HEABRO C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCC(c2ccc(Nc3cnccn3)cn2)CC1 ZINC000072374246 558961750 /nfs/dbraw/zinc/96/17/50/558961750.db2.gz XRXASRBFLGFGFD-KRWDZBQOSA-N 1 0 410.522 2.290 40 0 HEABRO Cc1ccc2[nH]c(=O)c(CNc3ccc(N4CC[NH+](C)CC4)cc3C(N)=O)cc2c1 ZINC000072389406 558969980 /nfs/dbraw/zinc/96/99/80/558969980.db2.gz LWPDICXTIOEYJR-UHFFFAOYSA-N 1 0 405.502 2.299 40 0 HEABRO Cn1c(=O)cc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCCCC2)[nH]c1=O ZINC000019714474 558974412 /nfs/dbraw/zinc/97/44/12/558974412.db2.gz LUKOIYFOGYATHO-KRWDZBQOSA-N 1 0 404.898 2.486 40 0 HEABRO COc1ccccc1C[N@@H+]1CCc2nc([C@H]3CCN(C(=O)[C@@H]4C[C@H]4C)C3)[nH]c(=O)c2C1 ZINC000072399140 558976866 /nfs/dbraw/zinc/97/68/66/558976866.db2.gz UBJARVAUGANOPS-BPQIPLTHSA-N 1 0 422.529 2.309 40 0 HEABRO O=S(=O)(c1cn[nH]c1)N1CC[N@H+](Cc2ccccc2)C[C@H](Cc2ccccn2)C1 ZINC000257319534 559012162 /nfs/dbraw/zinc/01/21/62/559012162.db2.gz VSXZSNHDKYUTRZ-IBGZPJMESA-N 1 0 411.531 2.170 40 0 HEABRO Cc1nc(C)c(C[N@H+]2C[C@H](C(=O)N(C)Cc3ncccn3)C3(C2)CCOCC3)s1 ZINC000585101918 559025122 /nfs/dbraw/zinc/02/51/22/559025122.db2.gz JVIMHPNCYIHQND-QGZVFWFLSA-N 1 0 415.563 2.437 40 0 HEABRO C[N@@H+](Cc1cccnc1)C[C@H]1CC2(CO1)CCN(S(=O)(=O)c1ccccn1)CC2 ZINC000585104613 559027205 /nfs/dbraw/zinc/02/72/05/559027205.db2.gz RMMVJVQDYYWDHM-LJQANCHMSA-N 1 0 416.547 2.168 40 0 HEABRO Cc1ccc(OCC(=O)N2CCC3(CO[C@H](C[N@@H+]4CCC[C@@H](O)C4)C3)CC2)cc1 ZINC000585104835 559027259 /nfs/dbraw/zinc/02/72/59/559027259.db2.gz UCSCGMGEPVRNBP-CTNGQTDRSA-N 1 0 402.535 2.228 40 0 HEABRO COc1cc(OC)cc(C(=O)N2CCC3(CO[C@@H](C[N@@H+]4CCC[C@H]4CO)C3)CC2)c1 ZINC000585105087 559027517 /nfs/dbraw/zinc/02/75/17/559027517.db2.gz XRJHWGHORJUAQE-GHTZIAJQSA-N 1 0 418.534 2.172 40 0 HEABRO C[NH+](C)CCN1C[C@H](c2ccccc2)[C@]2(CN(C(=O)c3ccccc3)CCO2)C1=O ZINC000585107558 559028060 /nfs/dbraw/zinc/02/80/60/559028060.db2.gz ZPAIZKYESXDEAY-ZJSXRUAMSA-N 1 0 407.514 2.085 40 0 HEABRO COC(=O)[C@]1(C)C[C@@H]([N@H+](C)Cc2ccccc2)CCN1C(=O)c1cccn(C)c1=O ZINC000585113248 559031245 /nfs/dbraw/zinc/03/12/45/559031245.db2.gz TWLBDFAUOIGKCB-MBSDFSHPSA-N 1 0 411.502 2.054 40 0 HEABRO COc1cccc(OCCOC[C@H](O)C[NH+]2CCN(c3ccccc3OC)CC2)c1 ZINC000023224712 559062711 /nfs/dbraw/zinc/06/27/11/559062711.db2.gz ZDHYQKXZDGTLGR-LJQANCHMSA-N 1 0 416.518 2.282 40 0 HEABRO COc1cccc(OCCOC[C@@H](O)C[NH+]2CCN(c3ccccc3OC)CC2)c1 ZINC000023224711 559062748 /nfs/dbraw/zinc/06/27/48/559062748.db2.gz ZDHYQKXZDGTLGR-IBGZPJMESA-N 1 0 416.518 2.282 40 0 HEABRO CC[N@@H+]1CC[C@@]2(C(=O)N3CCOCC3)CCN(C(=O)Nc3ccccc3)CC[C@@H]12 ZINC000096145325 559097246 /nfs/dbraw/zinc/09/72/46/559097246.db2.gz ODAZJYCKYQZFHU-DENIHFKCSA-N 1 0 400.523 2.254 40 0 HEABRO CCN1CC[C@@]2(C[N@H+](CCOC)CC23CCN(C(=O)c2cccs2)CC3)C1=O ZINC000096262791 559106725 /nfs/dbraw/zinc/10/67/25/559106725.db2.gz LRRXVCLUWAMTIU-OAQYLSRUSA-N 1 0 405.564 2.171 40 0 HEABRO C[N@@H+](Cc1ccc(OCCN2CCOCC2)cc1)C[C@@H](O)COc1ccccc1 ZINC000585262586 559111150 /nfs/dbraw/zinc/11/11/50/559111150.db2.gz XGDFXDPKNHLWTC-OAQYLSRUSA-N 1 0 400.519 2.269 40 0 HEABRO O=C(CCc1ccccc1)N1CC[C@H](O)[C@@](O)(C[NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000585282974 559120351 /nfs/dbraw/zinc/12/03/51/559120351.db2.gz AAJKDGCAFTVVGS-AZUAARDMSA-N 1 0 414.468 2.218 40 0 HEABRO O[C@H]1CC[N@H+](CC2(O)CCCCCC2)C[C@]1(O)COc1cc(F)c(F)c(F)c1 ZINC000585284180 559120792 /nfs/dbraw/zinc/12/07/92/559120792.db2.gz VPAFYYVURAORSD-PXNSSMCTSA-N 1 0 403.441 2.366 40 0 HEABRO C[N@H+](CCc1ccccc1)C[C@@]1(O)CCN(C(=O)Cc2ccc(Cl)cc2)C[C@@H]1O ZINC000585286141 559121833 /nfs/dbraw/zinc/12/18/33/559121833.db2.gz WIRCKUNECOZUOQ-GMAHTHKFSA-N 1 0 416.949 2.381 40 0 HEABRO COc1ccccc1C[NH2+]C[C@@]1(O)CCN(C(=O)c2ccc(Cl)cc2)C[C@@H]1O ZINC000585286306 559121973 /nfs/dbraw/zinc/12/19/73/559121973.db2.gz YPMLFEDCQVDUOA-FPOVZHCZSA-N 1 0 404.894 2.076 40 0 HEABRO O=C(CCc1ccccc1)N1C[C@@H](O)[C@](O)(C[NH2+]CCc2ccc(Cl)cc2)C1 ZINC000585290787 559123402 /nfs/dbraw/zinc/12/34/02/559123402.db2.gz FQPIETWVFFYFMF-IRLDBZIGSA-N 1 0 402.922 2.039 40 0 HEABRO COC(C)(C)C(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCC(O)CC2)CC1 ZINC000257318573 559283012 /nfs/dbraw/zinc/28/30/12/559283012.db2.gz VONCJWRFDAJYPO-HFMPRLQTSA-N 1 0 418.578 2.226 40 0 HEABRO CCOCCOc1ccc(C[N@H+](C)C[C@]2(O)CCCN(c3cnccn3)C2)cc1 ZINC000257308760 559286268 /nfs/dbraw/zinc/28/62/68/559286268.db2.gz TXZLAFHIWDVSLD-JOCHJYFZSA-N 1 0 400.523 2.355 40 0 HEABRO Cc1cc(=O)n2c(n1)NC(N1CCN(c3ccccn3)CC1)=[NH+][C@@H]2[C@H]1CC=CCC1 ZINC000009289587 560757868 /nfs/dbraw/zinc/75/78/68/560757868.db2.gz JHDOQOYMUPSVDJ-PXNSSMCTSA-N 1 0 405.506 2.405 40 0 HEABRO COc1ccc(S(=O)(=O)NCCNc2ccc(Nc3cc[nH+]cc3)nn2)cc1 ZINC000011697854 560774912 /nfs/dbraw/zinc/77/49/12/560774912.db2.gz JKBNUEFPKPMGGS-UHFFFAOYSA-N 1 0 400.464 2.014 40 0 HEABRO Cc1cc(C)c(NC(=O)C[S@](=O)CC(=O)NCC[NH+]2CCCCCC2)c(C)c1 ZINC000015935834 560857443 /nfs/dbraw/zinc/85/74/43/560857443.db2.gz HZFSRHGXKWRVHM-NDEPHWFRSA-N 1 0 407.580 2.291 40 0 HEABRO OC[C@H]1[C@H](O)C[C@@H]([NH2+]Cc2cccc(F)c2)[C@@H]1Cc1ccnc(-c2cccnc2)n1 ZINC000604382194 568489420 /nfs/dbraw/zinc/48/94/20/568489420.db2.gz JULXYSUPIXXGLL-GXRSIYKFSA-N 1 0 408.477 2.368 40 0 biogenic,in-vitro HEABRO COCCc1nccc(C[C@H]2[C@H]([NH2+]Cc3ccccc3Cl)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382275 568489555 /nfs/dbraw/zinc/48/95/55/568489555.db2.gz MTAANMMBWGONBI-HNBVOPMISA-N 1 0 405.926 2.009 40 0 biogenic,in-vitro HEABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)CN(C)S(=O)(=O)c1ccc(OC)cc1 ZINC000260843318 568741919 /nfs/dbraw/zinc/74/19/19/568741919.db2.gz QHGMJRMVYGXTMD-KRWDZBQOSA-N 1 0 411.568 2.087 40 0 HEABRO CCS(=O)(=O)N1CCC[C@H](C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000260899801 568743350 /nfs/dbraw/zinc/74/33/50/568743350.db2.gz PZAZWAQCWNVHFN-FQEVSTJZSA-N 1 0 407.580 2.350 40 0 HEABRO CN(C[C@@]1(O)CCCN(c2ccnc3ccncc32)C1)C(=O)c1ccc(C[NH3+])cc1 ZINC000257228352 568784492 /nfs/dbraw/zinc/78/44/92/568784492.db2.gz FTMPLQZYAZNKOP-QHCPKHFHSA-N 1 0 405.502 2.192 40 0 HEABRO O=C(NC[C@]1(O)CCCN(c2cnccn2)C1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000257236641 568786636 /nfs/dbraw/zinc/78/66/36/568786636.db2.gz HDAYSHJHOBIQIR-HSZRJFAPSA-N 1 0 409.534 2.224 40 0 HEABRO COCCOc1ccc(C(=O)N2[C@H](C(N)=O)C[C@@H]([NH+](C)C)[C@@H]2c2ccccc2)cc1 ZINC000257247012 568789559 /nfs/dbraw/zinc/78/95/59/568789559.db2.gz IWYPKCPFPJKSBQ-HKBOAZHASA-N 1 0 411.502 2.083 40 0 HEABRO CC(=O)Nc1cc(NC(=O)CN2CC[C@@](O)(C[NH+]3CCC(F)(F)CC3)C2)ccc1C ZINC000257250180 568790260 /nfs/dbraw/zinc/79/02/60/568790260.db2.gz JLJRRNPMOPHZBU-HXUWFJFHSA-N 1 0 424.492 2.060 40 0 HEABRO C[NH+](C)[C@H]1CC2(CCN(C(=O)c3cc(-c4ccc(F)cc4)n[nH]3)CC2)OC[C@]1(C)O ZINC000257250320 568790327 /nfs/dbraw/zinc/79/03/27/568790327.db2.gz JMAZNSYRPQYSNF-FPOVZHCZSA-N 1 0 416.497 2.292 40 0 HEABRO Cc1cc(N2CCC[C@](O)(CNC(=O)c3ccc(C[NH3+])cc3)C2)c2cnccc2n1 ZINC000257270754 568795798 /nfs/dbraw/zinc/79/57/98/568795798.db2.gz MVNPIYRDXSEPSG-QHCPKHFHSA-N 1 0 405.502 2.158 40 0 HEABRO CN(C[C@@]1(O)CCCN(c2ccnc3cccnc32)C1)C(=O)c1ccc(C[NH3+])cc1 ZINC000257280463 568798598 /nfs/dbraw/zinc/79/85/98/568798598.db2.gz OKZJKWNBAQXBSX-QHCPKHFHSA-N 1 0 405.502 2.192 40 0 HEABRO O=C(CCCNc1ncccn1)N1CCC[C@](O)(C[NH+]2CCC(F)(F)CC2)CC1 ZINC000257297626 568803821 /nfs/dbraw/zinc/80/38/21/568803821.db2.gz RIECRMCLKGCMDK-LJQANCHMSA-N 1 0 411.497 2.143 40 0 HEABRO Cc1nccn1[C@@H]1CCC[C@@H](NC(=O)COc2ccc(C[NH+]3CCCC3)cc2)[C@H]1O ZINC000257298896 568804248 /nfs/dbraw/zinc/80/42/48/568804248.db2.gz RNSRQRWGYKVQCR-MQSCRBSSSA-N 1 0 412.534 2.437 40 0 HEABRO Cc1cc(N2CCC[C@@](O)(CN(C)C(=O)c3ccc(C[NH+]4CCCC4)cc3)C2)ncn1 ZINC000257324498 568811714 /nfs/dbraw/zinc/81/17/14/568811714.db2.gz WOXVWHIAAAEVMA-XMMPIXPASA-N 1 0 423.561 2.484 40 0 HEABRO Cc1ccc2nccc(N3CC[C@](O)(CN(C)C(=O)c4ccc(C[NH3+])cc4)C3)c2n1 ZINC000257325195 568812055 /nfs/dbraw/zinc/81/20/55/568812055.db2.gz WRXBKVNHUNTEIU-QHCPKHFHSA-N 1 0 405.502 2.110 40 0 HEABRO CNC(=O)c1cccc([C@H]2C[NH2+]CCN2CC(=O)Nc2ccc(N3CCCC3)cc2)c1 ZINC000257340016 568815955 /nfs/dbraw/zinc/81/59/55/568815955.db2.gz ZEDGHSZCJWXKNL-JOCHJYFZSA-N 1 0 421.545 2.231 40 0 HEABRO CCn1cc(C[N@H+]2C[C@H]3Cc4nnc(C(=O)Nc5cccc(F)c5)n4C[C@@H]3C2)cn1 ZINC000306138372 568900445 /nfs/dbraw/zinc/90/04/45/568900445.db2.gz RWBDCQSKOVOPAW-CVEARBPZSA-N 1 0 409.469 2.190 40 0 HEABRO Cn1cncc1C[N@@H+]1CC[C@]2(C1)COCc1cnc(N3CCC(F)(F)CC3)nc12 ZINC000306140566 568902309 /nfs/dbraw/zinc/90/23/09/568902309.db2.gz UXMFINSMMISVRA-IBGZPJMESA-N 1 0 404.465 2.120 40 0 HEABRO COc1ccc(-c2nnc3n2C2(CC[NH+](Cc4cnn(C)c4)CC2)CN(C)C3)cc1 ZINC000306140857 568902655 /nfs/dbraw/zinc/90/26/55/568902655.db2.gz VFLGJNHTOMLWGR-UHFFFAOYSA-N 1 0 407.522 2.124 40 0 HEABRO O=C1N(Cc2cccnc2)CCO[C@@]12C[N@H+](Cc1ccco1)C[C@@H]2c1cccnc1 ZINC000306142990 568904532 /nfs/dbraw/zinc/90/45/32/568904532.db2.gz XQBGGIKSYJMMEF-FYYLOGMGSA-N 1 0 404.470 2.467 40 0 HEABRO Cn1nccc1[C@@H]1C[N@H+](CCc2ccccc2)C[C@]12OCCN(CC1CCC1)C2=O ZINC000306144740 568906226 /nfs/dbraw/zinc/90/62/26/568906226.db2.gz ZNNKFNBTELACGS-URXFXBBRSA-N 1 0 408.546 2.460 40 0 HEABRO COC(=O)c1ccc(OC)c(Nc2cc(-c3ccccc3)nc(NCC[NH+](C)C)n2)c1 ZINC000328980745 568970957 /nfs/dbraw/zinc/97/09/57/568970957.db2.gz GNZWTVYRPSTLFU-UHFFFAOYSA-N 1 0 421.501 2.500 40 0 HEABRO O=C(c1c(F)cccc1Cl)N1CCN(c2cc(N3CCOCC3)cn[nH+]2)CC1 ZINC000224318481 569057134 /nfs/dbraw/zinc/05/71/34/569057134.db2.gz KLLBSLOPNDCWOW-UHFFFAOYSA-N 1 0 405.861 2.068 40 0 HEABRO O=C(c1ccc(F)cc1Cl)N1CCN(c2cc(N3CCOCC3)cn[nH+]2)CC1 ZINC000224320005 569057192 /nfs/dbraw/zinc/05/71/92/569057192.db2.gz BHLDOMKWRNGERE-UHFFFAOYSA-N 1 0 405.861 2.068 40 0 HEABRO O=C(Nc1ccccc1Cl)N1CCN(c2cn[nH+]c(N3CCOCC3)c2)CC1 ZINC000224331639 569058593 /nfs/dbraw/zinc/05/85/93/569058593.db2.gz YTPUNUFUERSBNS-UHFFFAOYSA-N 1 0 402.886 2.321 40 0 HEABRO Cc1csc2nc(C)c(S(=O)(=O)N3CC[NH+](C4CCCCC4)CC3)c(=O)n12 ZINC000036075313 569086889 /nfs/dbraw/zinc/08/68/89/569086889.db2.gz QJZGSTZWVXUHBP-UHFFFAOYSA-N 1 0 410.565 2.012 40 0 HEABRO Cc1cnc(C(=O)N2CCC[C@@H]2CN2Cc3ccccc3OC[C@H]2C[NH+](C)C)cn1 ZINC000248150742 569316490 /nfs/dbraw/zinc/31/64/90/569316490.db2.gz XISZDQYKCTYDHA-WOJBJXKFSA-N 1 0 409.534 2.214 40 0 HEABRO CCC(=O)N1CCC(CN2C(=O)NC3(CC[NH+](Cc4ccccc4)CC3)C2=O)CC1 ZINC000019700717 569347227 /nfs/dbraw/zinc/34/72/27/569347227.db2.gz AGVAUTACODRSIG-UHFFFAOYSA-N 1 0 412.534 2.222 40 0 HEABRO Cc1noc(C)c1CC(=O)N1CCC(Cc2c(C[NH+](C)C)cnc3ccnn32)CC1 ZINC000019704758 569347764 /nfs/dbraw/zinc/34/77/64/569347764.db2.gz ORKMITXWEVXBQN-UHFFFAOYSA-N 1 0 410.522 2.420 40 0 HEABRO C[N@H+](Cc1ccccc1)[C@@H]1[C@@H](CNC(=O)Nc2cccc(Cl)c2)O[C@@H](CO)[C@H]1O ZINC000020465951 575368507 /nfs/dbraw/zinc/36/85/07/575368507.db2.gz CKHLFRKIDNAUNP-IYWMVGAKSA-N 1 0 419.909 2.083 40 0 biogenic,in-vitro HEABRO CN1CCN(C(=O)[C@@H]2CCC[C@@H]([NH2+]Cc3cccc(Cl)c3)CN(C)C(=O)C2)CC1 ZINC000096113391 291205466 /nfs/dbraw/zinc/20/54/66/291205466.db2.gz BWVZQLAPJLJYQZ-UYAOXDASSA-N 1 0 420.985 2.221 40 0 biogenic,in-vitro HEABRO COCCNc1ccc(-c2noc([C@@H]3CCC[N@@H+]3C3CCN(C(C)=O)CC3)n2)cn1 ZINC000035425148 291206467 /nfs/dbraw/zinc/20/64/67/291206467.db2.gz BXEKZCBILNBZHI-SFHVURJKSA-N 1 0 414.510 2.338 40 0 biogenic,in-vitro HEABRO O=C1[C@@H]2C[C@@H](O)CN2C2(C[NH+](C3CCCCC3)C2)C(=O)N1Cc1ccccc1Cl ZINC000225391824 291213651 /nfs/dbraw/zinc/21/36/51/291213651.db2.gz GQZLPEQCZHIBBJ-MJGOQNOKSA-N 1 0 417.937 2.031 40 0 biogenic,in-vitro HEABRO c1c(CC2([NH2+]C3CCOCC3)COC2)noc1CN1CCN(c2ccccc2)CC1 ZINC000067898455 291213928 /nfs/dbraw/zinc/21/39/28/291213928.db2.gz BQZUOBBKLWRUHD-UHFFFAOYSA-N 1 0 412.534 2.077 40 0 biogenic,in-vitro HEABRO CNC(=O)c1cc(S(=O)(=O)NCc2ccc(C[NH+]3CCCC3)cc2)ccc1OC ZINC000044872383 521790445 /nfs/dbraw/zinc/79/04/45/521790445.db2.gz KYYPXFBJAGVAAI-UHFFFAOYSA-N 1 0 417.531 2.129 40 0 HEABRO COCc1nn2c(nnc3c2ccn(CC[NH+](C)C)c3=O)c1-c1ccc(Cl)cc1 ZINC000040396090 523250822 /nfs/dbraw/zinc/25/08/22/523250822.db2.gz GUXCMGCAAWSBCC-UHFFFAOYSA-N 1 0 412.881 2.468 40 0 HEABRO C[NH+]1CCN(c2ccc(NC(=O)CCCN3C(=O)c4ccccc4C3=O)cc2)CC1 ZINC000007105394 536422767 /nfs/dbraw/zinc/42/27/67/536422767.db2.gz JATASBLLCDBOHM-UHFFFAOYSA-N 1 0 406.486 2.453 40 0 HEABRO Cc1nn(-c2ccccc2C)c(C)c1-c1cncn1CC[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000019719676 558258128 /nfs/dbraw/zinc/25/81/28/558258128.db2.gz KQKNUZDLLGALKM-SFHVURJKSA-N 1 0 413.547 2.438 40 0 HEABRO O=c1[nH]c2ccc(S(=O)(=O)NC[C@H]3CCC[N@H+](Cc4ccccc4)C3)cc2[nH]1 ZINC000012239030 558359655 /nfs/dbraw/zinc/35/96/55/558359655.db2.gz SSTLQVKLPHIXDI-MRXNPFEDSA-N 1 0 400.504 2.047 40 0 HEABRO CC1CC[NH+](CCCNC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)CC1 ZINC000020452138 558366285 /nfs/dbraw/zinc/36/62/85/558366285.db2.gz SIUVVFCNXXJNAL-UHFFFAOYSA-N 1 0 407.580 2.464 40 0 HEABRO C[NH+](C)CCNC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000022516400 558493974 /nfs/dbraw/zinc/49/39/74/558493974.db2.gz BKHIVZKVNQTGAL-UHFFFAOYSA-N 1 0 422.378 2.213 40 0 HEABRO NC(=O)Cn1cc(C[NH+]2CCN(CCOc3ccccc3F)CC2)c2ccccc21 ZINC000022580090 558500051 /nfs/dbraw/zinc/50/00/51/558500051.db2.gz INJLTSYNIDZAFJ-UHFFFAOYSA-N 1 0 410.493 2.462 40 0 HEABRO C[NH+](C)CCNC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000030847246 558739350 /nfs/dbraw/zinc/73/93/50/558739350.db2.gz ZLRBCKIVCCGYIW-UHFFFAOYSA-N 1 0 422.378 2.213 40 0 HEABRO CC1CC[NH+](CCCNC(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1 ZINC000033222185 558762335 /nfs/dbraw/zinc/76/23/35/558762335.db2.gz VVDQJZAANMGZBE-UHFFFAOYSA-N 1 0 421.607 2.467 40 0 HEABRO NC(=O)[C@H]1CCC[N@H+](Cc2c3nccnc3[nH]c2C2CCN(C(=O)C3CCC3)CC2)C1 ZINC000019404238 558884306 /nfs/dbraw/zinc/88/43/06/558884306.db2.gz FLGIFGGADWBSHC-KRWDZBQOSA-N 1 0 424.549 2.161 40 0 HEABRO COc1cc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)C[N@@H+](C(C)C)CC3)ccn1 ZINC000019448190 558886916 /nfs/dbraw/zinc/88/69/16/558886916.db2.gz RUVHSWXGTJMTKJ-SFHVURJKSA-N 1 0 411.506 2.307 40 0 HEABRO CC(C)NC(=O)[C@H]1C[C@@H](C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)[N@H+](C)C1 ZINC000019449768 558888437 /nfs/dbraw/zinc/88/84/37/558888437.db2.gz RBTNXVRBVQECEK-LPHOPBHVSA-N 1 0 411.543 2.071 40 0 HEABRO COc1ccc(C[N@@H+]2CCC[C@H](c3nc4c(c(=O)[nH]3)CN(C(=O)C3CC3)CC4)C2)cc1 ZINC000019555210 558918131 /nfs/dbraw/zinc/91/81/31/558918131.db2.gz MHHUIOSUSOPUIY-SFHVURJKSA-N 1 0 422.529 2.453 40 0 HEABRO CN(C)C(=O)[C@H]1C[N@H+](CCOc2ccc(F)cc2)C[C@@]12COc1ccccc1C2=O ZINC000019581374 558936876 /nfs/dbraw/zinc/93/68/76/558936876.db2.gz MSXGSEOEVJUTPV-AUSIDOKSSA-N 1 0 412.461 2.486 40 0 HEABRO Cc1nc([C@H]2CCCN(C(=O)C[NH+](C)C)C2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000072345542 558942112 /nfs/dbraw/zinc/94/21/12/558942112.db2.gz SVNQMPBHUWFRCV-KRWDZBQOSA-N 1 0 413.497 2.122 40 0 HEABRO O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000019660071 558951290 /nfs/dbraw/zinc/95/12/90/558951290.db2.gz TWIRRYVYPVESFF-FQEVSTJZSA-N 1 0 405.564 2.494 40 0 HEABRO CCCO[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)C1 ZINC000072373111 558960945 /nfs/dbraw/zinc/96/09/45/558960945.db2.gz QLUOKWVKBBPIPS-OALUTQOASA-N 1 0 416.566 2.177 40 0 HEABRO COc1ccccc1C[N@@H+]1CCc2nc([C@H]3CCN(C(=O)[C@H]4C[C@H]4C)C3)[nH]c(=O)c2C1 ZINC000072399138 558976877 /nfs/dbraw/zinc/97/68/77/558976877.db2.gz UBJARVAUGANOPS-NJAFHUGGSA-N 1 0 422.529 2.309 40 0 HEABRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC000019717105 558979526 /nfs/dbraw/zinc/97/95/26/558979526.db2.gz YRLZMAKTPGJMOM-JOCHJYFZSA-N 1 0 412.509 2.375 40 0 HEABRO CC[N@@H+]1C[C@@H](COCc2ccccn2)[C@]2(CCN(C(=O)c3nnsc3C)C2)C1 ZINC000585103145 559026579 /nfs/dbraw/zinc/02/65/79/559026579.db2.gz RWAKBQDUSYTSIE-OXJNMPFZSA-N 1 0 401.536 2.242 40 0 HEABRO COc1cc(Cl)ccc1C(=O)N1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](CC3CC3)C[C@@H]12 ZINC000585106141 559028439 /nfs/dbraw/zinc/02/84/39/559028439.db2.gz RFGLEKXJTPXCJJ-MSOLQXFVSA-N 1 0 417.937 2.411 40 0 HEABRO CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000585106295 559028699 /nfs/dbraw/zinc/02/86/99/559028699.db2.gz OUOSANMQVNWOLL-UHOSZYNNSA-N 1 0 405.564 2.076 40 0 HEABRO CN1CC[NH+](C[C@H]2CO[C@@]3(C2)CCCN(C(=O)c2cccc4cccnc42)C3)CC1 ZINC000096075625 559094526 /nfs/dbraw/zinc/09/45/26/559094526.db2.gz UWNXBPIFUKVYHA-YADARESESA-N 1 0 408.546 2.494 40 0 HEABRO CCN1C(=O)[C@H]2C[N@H+](CCOC)C[C@H]2C12CCN(C(=O)Nc1ccccc1)CC2 ZINC000096262298 559106409 /nfs/dbraw/zinc/10/64/09/559106409.db2.gz MIAWIMITUNBROE-RBUKOAKNSA-N 1 0 400.523 2.110 40 0 HEABRO CCOc1ccccc1OC[C@@H](O)C[N@H+](C)Cc1ccc(OCCO)c(OC)c1 ZINC000585269598 559115209 /nfs/dbraw/zinc/11/52/09/559115209.db2.gz AKLYZSDYZRHMOK-SFHVURJKSA-N 1 0 405.491 2.337 40 0 HEABRO COc1cccc(CC[NH2+]C[C@@]2(O)CN(C(=O)c3ccc(Cl)cc3)CC[C@@H]2O)c1 ZINC000585285157 559121409 /nfs/dbraw/zinc/12/14/09/559121409.db2.gz OODNKMFIHHVLEJ-RBBKRZOGSA-N 1 0 418.921 2.119 40 0 HEABRO O=C(Cc1ccccc1)N1CC[C@H](O)[C@@](O)(C[NH2+]Cc2cccc(C(F)(F)F)c2)C1 ZINC000585284984 559121432 /nfs/dbraw/zinc/12/14/32/559121432.db2.gz MUCHMMQEYYFNAG-PZJWPPBQSA-N 1 0 422.447 2.362 40 0 HEABRO NC(=O)CN1CCCC[C@H]2C[N@@H+]([C@H]3CCC[C@@H](Oc4ccccc4)[C@@H]3O)CC[C@H]21 ZINC000585288684 559123268 /nfs/dbraw/zinc/12/32/68/559123268.db2.gz HMEZOSXQURQSJC-MNSFUXDKSA-N 1 0 401.551 2.009 40 0 HEABRO O=C(Cc1ccc(Cl)cc1)N1C[C@@H](O)[C@](O)(C[NH2+]Cc2ccccc2Cl)C1 ZINC000585290814 559123378 /nfs/dbraw/zinc/12/33/78/559123378.db2.gz FXZPMQKHXPHCJD-QUCCMNQESA-N 1 0 409.313 2.260 40 0 HEABRO COCCOc1cc(C[N@H+](C)C[C@@]2(O)CCN(c3ccccn3)C2)ccc1OC ZINC000257295499 559285731 /nfs/dbraw/zinc/28/57/31/559285731.db2.gz QYOPSYJBOYNZMQ-QFIPXVFZSA-N 1 0 401.507 2.189 40 0 HEABRO Cc1cccc2cc(CN(CC[NH+](C)C)C(=S)NC[C@@H]3CCCO3)c(=O)[nH]c12 ZINC000004133478 560600544 /nfs/dbraw/zinc/60/05/44/560600544.db2.gz ZGBOOLNXGGDBQB-SFHVURJKSA-N 1 0 402.564 2.254 40 0 HEABRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1C[C@@H](O)CN1C(=O)Nc1ccccc1 ZINC000004986880 560619273 /nfs/dbraw/zinc/61/92/73/560619273.db2.gz GHVBHXBDUNEJDP-FGZHOGPDSA-N 1 0 422.529 2.435 40 0 HEABRO CCn1c(SCC[NH+]2CCCC2)nnc1[C@@H]1CCCN(C(=O)[C@@H]2CCCO2)C1 ZINC000005001525 560620127 /nfs/dbraw/zinc/62/01/27/560620127.db2.gz HYOXXMHTZLVUQO-SJORKVTESA-N 1 0 407.584 2.371 40 0 HEABRO C[NH+](C)CCCn1ccc2nc(N3CCN(Cc4ccccc4)CC3)ncc2c1=O ZINC000009290450 560757985 /nfs/dbraw/zinc/75/79/85/560757985.db2.gz BESHNKXHISWQBP-UHFFFAOYSA-N 1 0 406.534 2.065 40 0 HEABRO COCCn1nnnc1[C@H](c1ccc(F)cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000019593953 560875120 /nfs/dbraw/zinc/87/51/20/560875120.db2.gz IFUYWITZQNSCKR-FQEVSTJZSA-N 1 0 402.518 2.498 40 0 HEABRO COc1cc(CNCC[NH2+]C[C@@H](C)O)cc(Br)c1OCc1cccnc1 ZINC000022107404 568475342 /nfs/dbraw/zinc/47/53/42/568475342.db2.gz PGZZRBHUDJCYFQ-CQSZACIVSA-N 1 0 424.339 2.492 40 0 HEABRO CS(=O)(=O)N(CCCC(=O)NCCC[NH+]1CCCC1)c1ccc(F)c(F)c1 ZINC000223233952 568541822 /nfs/dbraw/zinc/54/18/22/568541822.db2.gz SWWRNJBQOADABE-UHFFFAOYSA-N 1 0 403.495 2.113 40 0 HEABRO Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NCCC[NH+](C)C)cc2)cc1 ZINC000224426208 568580928 /nfs/dbraw/zinc/58/09/28/568580928.db2.gz DCXHQUCFUXGLBG-UHFFFAOYSA-N 1 0 403.548 2.497 40 0 HEABRO CS(=O)(=O)N(CC(=O)NCCC[NH+]1CCCCC1)Cc1ccccc1Cl ZINC000225170423 568620126 /nfs/dbraw/zinc/62/01/26/568620126.db2.gz XSNZIBCDCBARPQ-UHFFFAOYSA-N 1 0 401.960 2.094 40 0 HEABRO COc1cccc(O[C@@H]2C[C@@H](NC(=O)c3ccccn3)[C@H]([NH+]3CCCCC3)[C@H]2O)c1 ZINC000257226363 568783967 /nfs/dbraw/zinc/78/39/67/568783967.db2.gz FKIROQXYUFXENU-CZYKHXBRSA-N 1 0 411.502 2.255 40 0 HEABRO Cc1cc(N2CC[C@](O)(CN(C)C(=O)c3cccc(C[NH3+])c3)C2)c2cnccc2n1 ZINC000257236463 568786504 /nfs/dbraw/zinc/78/65/04/568786504.db2.gz HCIHCPWEWAKHPR-QHCPKHFHSA-N 1 0 405.502 2.110 40 0 HEABRO Cc1ocnc1C(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[NH+]1CCCCC1 ZINC000257256541 568792104 /nfs/dbraw/zinc/79/21/04/568792104.db2.gz KLXWYHNJBCJQFH-JYBIWHBTSA-N 1 0 403.454 2.287 40 0 HEABRO O=C(c1ccc2n[nH]nc2c1)N1CCC[C@@](O)(C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000257259596 568792693 /nfs/dbraw/zinc/79/26/93/568792693.db2.gz KZASYWKRJFSSOP-QHCPKHFHSA-N 1 0 405.502 2.373 40 0 HEABRO COc1ccc(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccc(CNC(C)=O)cc2)cc1 ZINC000257261025 568793053 /nfs/dbraw/zinc/79/30/53/568793053.db2.gz LFLMWHWCPKWNEF-PKTZIBPZSA-N 1 0 409.530 2.335 40 0 HEABRO COc1ccc(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2cccc(CNC(C)=O)c2)cc1 ZINC000257277344 568797734 /nfs/dbraw/zinc/79/77/34/568797734.db2.gz NXPOHZWMTLTCOG-PKTZIBPZSA-N 1 0 409.530 2.335 40 0 HEABRO C[C@]12C[C@@H](Cc3ccccc3)[N@H+](CC(=O)NCc3ccccn3)[C@H]1CCCC(=O)N2 ZINC000257312740 568807852 /nfs/dbraw/zinc/80/78/52/568807852.db2.gz UPIISEZJOUJRBW-DPLHUUCSSA-N 1 0 406.530 2.442 40 0 HEABRO [NH3+]CCCOc1ccc(C(=O)N2C[C@H](O)[C@H](Cc3ccnc4cccnc34)C2)cc1 ZINC000257325018 568811747 /nfs/dbraw/zinc/81/17/47/568811747.db2.gz WRCOZWOVSNGWTA-NQIIRXRSSA-N 1 0 406.486 2.033 40 0 HEABRO CC[N@H+](Cc1ccncc1)C[C@]1(O)CCCN(C(=O)c2sc(N)nc2C)CC1 ZINC000257338516 568815601 /nfs/dbraw/zinc/81/56/01/568815601.db2.gz YXUJNMZNGHJTEM-FQEVSTJZSA-N 1 0 403.552 2.308 40 0 HEABRO O=C1N(Cc2ccncc2)CCO[C@@]12C[N@H+](Cc1ccncc1)C[C@H]2c1cccnc1 ZINC000306123033 568886158 /nfs/dbraw/zinc/88/61/58/568886158.db2.gz ACWVAYMRIVOQMH-LADGPHEKSA-N 1 0 415.497 2.269 40 0 HEABRO COCCN1CC[C@@]2(C[N@H+](Cc3nccs3)C[C@H]2c2cn(C(C)C)cn2)C1=O ZINC000306128327 568891249 /nfs/dbraw/zinc/89/12/49/568891249.db2.gz GXJPQWJAFYEERE-JXFKEZNVSA-N 1 0 403.552 2.385 40 0 HEABRO CN(C)C(=O)NC[C@H]1N(C(=O)Cc2cccc(F)c2)CCCC12CC[NH+](C)CC2 ZINC000306130047 568892418 /nfs/dbraw/zinc/89/24/18/568892418.db2.gz IUZKWSCNJYVACE-LJQANCHMSA-N 1 0 404.530 2.342 40 0 HEABRO O=C1N(CC2CC2)CCO[C@@]12C[N@H+](Cc1ccc3c(c1)OCO3)C[C@@H]2c1cccnc1 ZINC000306130078 568892525 /nfs/dbraw/zinc/89/25/25/568892525.db2.gz IVVUCJFNOPQVCL-HYBUGGRVSA-N 1 0 421.497 2.417 40 0 HEABRO COc1ccc(NC(=O)c2nnc3n2C[C@H]2C[N@@H+](Cc4cccnc4)C[C@H]2C3)cc1 ZINC000306130059 568892568 /nfs/dbraw/zinc/89/25/68/568892568.db2.gz IVMIAHAQDVTOES-IAGOWNOFSA-N 1 0 404.474 2.238 40 0 HEABRO CC[NH+](CC)CCNC(=O)c1nc([C@@H]2CCCN2C(=O)N(C)C)n2ccccc12 ZINC000306131526 568893684 /nfs/dbraw/zinc/89/36/84/568893684.db2.gz KHTXVPNGCBPHGX-KRWDZBQOSA-N 1 0 400.527 2.224 40 0 HEABRO COc1cccc(-n2nccc2-c2nc(C(=O)NCCC[NH+](C)C)c3cnccn32)c1 ZINC000306140172 568901921 /nfs/dbraw/zinc/90/19/21/568901921.db2.gz UMFMSNMSBYTRLN-UHFFFAOYSA-N 1 0 419.489 2.272 40 0 HEABRO CN1CC[N@H+](CC2CC2)C[C@H]1c1nnc2ccc(C(=O)NCCc3ccccc3)cn21 ZINC000306140659 568902430 /nfs/dbraw/zinc/90/24/30/568902430.db2.gz UZVMQVVDRNKCFV-NRFANRHFSA-N 1 0 418.545 2.400 40 0 HEABRO O=C1N(Cc2ccncc2)CCO[C@]12C[N@H+](Cc1ccccn1)C[C@@H]2c1cccnc1 ZINC000306141370 568902957 /nfs/dbraw/zinc/90/29/57/568902957.db2.gz VTDSFOBHQAYXQL-VWNXMTODSA-N 1 0 415.497 2.269 40 0 HEABRO O=C(CN1C(=O)COc2ccccc21)N1CCO[C@]2(CCCC[C@H]2[NH+]2CCCC2)C1 ZINC000306144395 568905822 /nfs/dbraw/zinc/90/58/22/568905822.db2.gz ZECFCIYTVDPZMA-NFBKMPQASA-N 1 0 413.518 2.048 40 0 HEABRO Cc1ccsc1C[N@@H+]1CCN2CCn3c(C(=O)NC4CCCC4)nnc3[C@H]2C1 ZINC000306144531 568905868 /nfs/dbraw/zinc/90/58/68/568905868.db2.gz ZIAYZCVTSWQDAB-MRXNPFEDSA-N 1 0 400.552 2.193 40 0 HEABRO COc1ccc(N2C[C@@H](C(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@H]34)CC2=O)c(OC)c1 ZINC000225416232 569284853 /nfs/dbraw/zinc/28/48/53/569284853.db2.gz ZRKBYTNENHBEQG-ZIFCJYIRSA-N 1 0 415.534 2.437 40 0 HEABRO CN(C)CCN(CC1(c2ccc(Cl)cc2Cl)CC1)[C@@H]1CS(=O)(=O)C[C@H]1O ZINC000248039285 569316120 /nfs/dbraw/zinc/31/61/20/569316120.db2.gz VHNRYGFZHVFUCZ-IAGOWNOFSA-N 1 0 421.390 2.047 40 0 HEABRO CCOc1cc(CN2C[C@@H]3ON=C(c4ccc(C)cc4)[C@H]3C2)ccc1OCC(N)=O ZINC000248091556 569316227 /nfs/dbraw/zinc/31/62/27/569316227.db2.gz MPSLNPDDWIQUFU-RXVVDRJESA-N 1 0 409.486 2.493 40 0 HEABRO COc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+](C)C)c2ccc(C)cc2)cc1 ZINC000010111408 569342867 /nfs/dbraw/zinc/34/28/67/569342867.db2.gz BQICITCWJJEHDT-UHFFFAOYSA-N 1 0 419.547 2.267 40 0 HEABRO CCCC(=O)N1CCC[C@H](N2C(=O)NC3(CC[NH+](Cc4ccccc4)CC3)C2=O)C1 ZINC000019699394 569346967 /nfs/dbraw/zinc/34/69/67/569346967.db2.gz RPVNQTLOXDWJGS-IBGZPJMESA-N 1 0 412.534 2.364 40 0 HEABRO C[NH2+]Cc1cc(N(C)C)nc([C@@H]2CCCN(C(=O)COc3ccc(F)cc3)C2)n1 ZINC000019709645 569348080 /nfs/dbraw/zinc/34/80/80/569348080.db2.gz BHSMUGATMXUZMV-OAHLLOKOSA-N 1 0 401.486 2.186 40 0 HEABRO CN1C[C@H]([NH2+]Cc2ccc(F)cc2)CCC[C@@H](C(=O)NC2CCOCC2)CC1=O ZINC000096113493 291205507 /nfs/dbraw/zinc/20/55/07/291205507.db2.gz NYRBMHCRJPTIDT-YLJYHZDGSA-N 1 0 405.514 2.228 40 0 biogenic,in-vitro HEABRO COC(=O)CC[C@H]1CNC(=O)[C@@H]2[C@@H](CCN2Cc2ccc(C(F)(F)F)cc2)[N@@H+]1C ZINC000035442353 291205895 /nfs/dbraw/zinc/20/58/95/291205895.db2.gz ZRCVRUVEOWFYFY-JZXOWHBKSA-N 1 0 413.440 2.032 40 0 biogenic,in-vitro HEABRO CC[NH+](CC)CCN(CC(=O)N1CCCCC1)C(=O)c1ccc(NC(C)=O)cc1 ZINC000006311436 557698883 /nfs/dbraw/zinc/69/88/83/557698883.db2.gz STXAMIWYHPHNNJ-UHFFFAOYSA-N 1 0 402.539 2.442 40 0 HEABRO Cn1c2ncn(CC[NH2+][C@H](c3ccccc3)c3cccc(Cl)c3)c2c(=O)n(C)c1=O ZINC000008667325 557799475 /nfs/dbraw/zinc/79/94/75/557799475.db2.gz QQBPMNIYGSXMML-GOSISDBHSA-N 1 0 423.904 2.466 40 0 HEABRO CN(C)c1ncccc1C[N@@H+]1CC[C@H](c2cc(C(=O)NCCO)c3ccccc3n2)C1 ZINC000019761760 558276808 /nfs/dbraw/zinc/27/68/08/558276808.db2.gz GCDGBTZAGLUWSL-KRWDZBQOSA-N 1 0 419.529 2.407 40 0 HEABRO CCOC(=O)C1=C(O)NC(N2CCN(c3ccccc3)CC2)=[NH+][C@H]1c1ccc(F)cc1 ZINC000020674728 558399309 /nfs/dbraw/zinc/39/93/09/558399309.db2.gz MXCAJKXVLWKSTG-PMACEKPBSA-N 1 0 424.476 2.354 40 0 HEABRO COc1cccc(OCCN2CC[NH+](Cc3cn(CC(N)=O)c4ccccc34)CC2)c1 ZINC000022581837 558499951 /nfs/dbraw/zinc/49/99/51/558499951.db2.gz BPAJERQDOZTRKZ-UHFFFAOYSA-N 1 0 422.529 2.332 40 0 HEABRO Cc1ccc(C(=O)NCCC[NH+]2CCCCCC2)cc1S(=O)(=O)N1CCOCC1 ZINC000013648116 558557454 /nfs/dbraw/zinc/55/74/54/558557454.db2.gz VYUNURSVNNWVSP-UHFFFAOYSA-N 1 0 423.579 2.012 40 0 HEABRO CS(=O)(=O)N(CC(=O)NCCC[NH+]1CCCC1)c1cc(Cl)cc(Cl)c1 ZINC000013668742 558560790 /nfs/dbraw/zinc/56/07/90/558560790.db2.gz BFYGSFCYPWEFOY-UHFFFAOYSA-N 1 0 408.351 2.362 40 0 HEABRO COc1ccc(S(=O)(=O)NCCC[NH+]2CCC(C)CC2)cc1N1CCCC1=O ZINC000038755138 558814466 /nfs/dbraw/zinc/81/44/66/558814466.db2.gz JBMZRJQEPQUBFU-UHFFFAOYSA-N 1 0 409.552 2.222 40 0 HEABRO O=C(C[C@@H]1C=CCC1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](C1CCOCC1)CC2 ZINC000019014480 558836538 /nfs/dbraw/zinc/83/65/38/558836538.db2.gz PJHRBTUYFGMKHG-OXQOHEQNSA-N 1 0 412.534 2.327 40 0 HEABRO C[NH+]1CCC(N(C[C@H]2CCCO2)C(=O)c2cc(C(C)(C)C)n3ncnc3n2)CC1 ZINC000019083853 558840625 /nfs/dbraw/zinc/84/06/25/558840625.db2.gz AJMNEBLBQMNZAB-MRXNPFEDSA-N 1 0 400.527 2.137 40 0 HEABRO Cc1ccc(C2(C[NH+]3CCC(NC(=O)CN4C(=O)CSC4=O)CC3)CC2)cc1 ZINC000019208373 558847609 /nfs/dbraw/zinc/84/76/09/558847609.db2.gz ABNVHOMYVTYNTJ-UHFFFAOYSA-N 1 0 401.532 2.303 40 0 HEABRO Cc1ccc(C2(CNC(=O)C[C@H]3C(=O)NCC[N@@H+]3C3CCCC3)CCOCC2)cc1 ZINC000019208655 558847639 /nfs/dbraw/zinc/84/76/39/558847639.db2.gz IONCGSMCOMBKEW-NRFANRHFSA-N 1 0 413.562 2.293 40 0 HEABRO COCCc1ncc(C[N@@H+]2C[C@@H](c3cccc(C)n3)[C@]3(C2)CCCCC(=O)N3)cn1 ZINC000019236391 558855546 /nfs/dbraw/zinc/85/55/46/558855546.db2.gz LNFJDFRAURPMIF-WMZHIEFXSA-N 1 0 409.534 2.397 40 0 HEABRO O=C(c1cccs1)N1CCc2nc([C@H]3CCC[N@@H+]3C3CCOCC3)[nH]c(=O)c2C1 ZINC000019342830 558872178 /nfs/dbraw/zinc/87/21/78/558872178.db2.gz FDLWTHFDXGATGG-QGZVFWFLSA-N 1 0 414.531 2.346 40 0 HEABRO O=C(Cn1cccn1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](C1CCCCC1)CC2 ZINC000019406042 558884825 /nfs/dbraw/zinc/88/48/25/558884825.db2.gz WTEYBRLYVPQACU-HXUWFJFHSA-N 1 0 424.549 2.411 40 0 HEABRO CC(C)NC(=O)[C@H]1C[N@H+](Cc2cccs2)C[C@@H]1c1ccnc(N2CCOCC2)n1 ZINC000019450174 558888614 /nfs/dbraw/zinc/88/86/14/558888614.db2.gz XDEXGQALJQJWOC-ROUUACIJSA-N 1 0 415.563 2.115 40 0 HEABRO CC(C)n1nccc1NC(=O)CN1CC2(CC[NH+](C)CC2)Oc2ccccc2C1=O ZINC000019454605 558891491 /nfs/dbraw/zinc/89/14/91/558891491.db2.gz HUJZJPVXVUPUFM-UHFFFAOYSA-N 1 0 411.506 2.402 40 0 HEABRO COc1ccccc1C[N@@H+]1CCc2nc([C@H]3CCN(C(=O)[C@@H]4C[C@@H]4C)C3)[nH]c(=O)c2C1 ZINC000019462762 558894143 /nfs/dbraw/zinc/89/41/43/558894143.db2.gz UBJARVAUGANOPS-RYQLBKOJSA-N 1 0 422.529 2.309 40 0 HEABRO C[C@H]1CCC[N@H+](CC(C)(C)NC(=O)c2cc(C3CC3)n([C@@H]3CCS(=O)(=O)C3)n2)C1 ZINC000019496539 558895405 /nfs/dbraw/zinc/89/54/05/558895405.db2.gz SICLQQZOPMUEEB-DOTOQJQBSA-N 1 0 422.595 2.360 40 0 HEABRO CCN(CC)C(=O)[C@H]1C[N@H+](Cc2ccncc2)C[C@@]12CCc1ccccc1C(=O)N2 ZINC000072334368 558935377 /nfs/dbraw/zinc/93/53/77/558935377.db2.gz IENYSLKPAWCDKC-QPPBQGQZSA-N 1 0 406.530 2.497 40 0 HEABRO C[C@H](c1ccc(F)cc1)[N@@H+]1C[C@H](C(=O)N(C)C)[C@@]2(C1)COc1ccccc1C(=O)N2 ZINC000072334347 558935430 /nfs/dbraw/zinc/93/54/30/558935430.db2.gz CBUXAXLAIYBTRO-NFHUAXAMSA-N 1 0 411.477 2.468 40 0 HEABRO CCCc1nn(CC(=O)NC[C@H]2CCC[N@@H+]2CC)c(=O)c2cc3ccsc3n21 ZINC000072335267 558936149 /nfs/dbraw/zinc/93/61/49/558936149.db2.gz QMMCXOVHOOJYIW-OAHLLOKOSA-N 1 0 401.536 2.264 40 0 HEABRO COC(=O)[C@]1(CCN2CCOCC2)C(=O)C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cc1 ZINC000072340196 558938907 /nfs/dbraw/zinc/93/89/07/558938907.db2.gz PLUCSWSEINOFSF-DXIQSLLYSA-N 1 0 404.482 2.013 40 0 HEABRO C[C@]12CC[C@H](C[C@@H]1C(=O)NCC[NH+]1CCCCC1)[C@]1(C2)NC(=O)c2cccnc2N1 ZINC000072342635 558940684 /nfs/dbraw/zinc/94/06/84/558940684.db2.gz HRJRKHBJKIHOJX-ZDZLMVPKSA-N 1 0 411.550 2.362 40 0 HEABRO C[N@@H+]1CCc2nc([C@@H]3CCCN(C(=O)COc4cccc(F)c4)C3)[nH]c(=O)c2C1 ZINC000019590245 558940955 /nfs/dbraw/zinc/94/09/55/558940955.db2.gz GSQZYCWWFSZOBN-CQSZACIVSA-N 1 0 400.454 2.094 40 0 HEABRO COc1ccc(NC(=O)[C@H]2C[C@@H]([C@H](C)O)[NH2+][C@]23C(=O)Nc2c3cccc2Cl)cc1 ZINC000064164819 558962062 /nfs/dbraw/zinc/96/20/62/558962062.db2.gz CPLYWWPWWQYOHJ-VFPSJCHESA-N 1 0 415.877 2.494 40 0 HEABRO COC[C@@H]1CC2(C[N@@H+]1Cc1cccnc1)CCN(C(=O)c1cc(OC)no1)CC2 ZINC000585103851 559025753 /nfs/dbraw/zinc/02/57/53/559025753.db2.gz RRESNEMUPCHAAZ-KRWDZBQOSA-N 1 0 400.479 2.222 40 0 HEABRO Cn1cc(C(=O)N2CC[C@]3(C2)C[N@H+](C)C[C@H]3COCc2ccccn2)c(C(F)F)n1 ZINC000585102670 559026302 /nfs/dbraw/zinc/02/63/02/559026302.db2.gz FQDKUJYBIKAQRB-YCRPNKLZSA-N 1 0 419.476 2.363 40 0 HEABRO CN(C)c1ccc(CC(=O)N2CCC3(CO[C@@H](C[N@@H+]4CCC[C@H]4CO)C3)CC2)cc1 ZINC000585103056 559026417 /nfs/dbraw/zinc/02/64/17/559026417.db2.gz BVRTUHCBJUQJPG-FCHUYYIVSA-N 1 0 415.578 2.150 40 0 HEABRO C[NH+](C)CCN1C[C@H](c2ccccc2)[C@@]2(CN(C(=O)c3ccsc3)CCO2)C1=O ZINC000585107277 559027747 /nfs/dbraw/zinc/02/77/47/559027747.db2.gz SDZNIGIXIUDJQT-KNQAVFIVSA-N 1 0 413.543 2.147 40 0 HEABRO O=C(Cc1ccccc1Cl)N1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](CC3CC3)C[C@@H]12 ZINC000585106166 559028539 /nfs/dbraw/zinc/02/85/39/559028539.db2.gz UAWWYBLZJJFMFB-MSOLQXFVSA-N 1 0 401.938 2.332 40 0 HEABRO Cc1nc(C(=O)N2CCC3(CC2)NC(=O)[C@@H]2C[N@H+](CC4CCCC4)C[C@@H]23)cs1 ZINC000585106292 559028688 /nfs/dbraw/zinc/02/86/88/559028688.db2.gz OQXLCWKBVHRRED-SJORKVTESA-N 1 0 402.564 2.294 40 0 HEABRO CC[C@H](CO)NC(=O)c1ncn2c1nccc2C1CC[NH+](Cc2ccncc2)CC1 ZINC000096155747 559099862 /nfs/dbraw/zinc/09/98/62/559099862.db2.gz BJTGWFKFWHMXMV-GOSISDBHSA-N 1 0 408.506 2.005 40 0 HEABRO CCc1ccc(NC(=O)N2CCC3(CC2)[C@@H]2C[N@H+](CCOC)C[C@@H]2C(=O)N3C)cc1 ZINC000096262226 559106354 /nfs/dbraw/zinc/10/63/54/559106354.db2.gz FKUBAWBSQNCFBK-VQTJNVASSA-N 1 0 414.550 2.282 40 0 HEABRO CCN1CC[C@@]2(C[N@H+](CCOC)CC23CCN(C(=O)c2cccc(C)c2)CC3)C1=O ZINC000096262799 559106715 /nfs/dbraw/zinc/10/67/15/559106715.db2.gz VQRKKERRYJCVJZ-XMMPIXPASA-N 1 0 413.562 2.418 40 0 HEABRO C[N@@H+](Cc1ccc(OCCN2CCOCC2)cc1)C[C@H](O)COc1ccccc1 ZINC000585262582 559111190 /nfs/dbraw/zinc/11/11/90/559111190.db2.gz XGDFXDPKNHLWTC-NRFANRHFSA-N 1 0 400.519 2.269 40 0 HEABRO O=C(c1ccc(Cl)cc1)N1CC[C@H](O)[C@@](O)(C[NH2+]Cc2cc(F)cc(F)c2)C1 ZINC000585284331 559121205 /nfs/dbraw/zinc/12/12/05/559121205.db2.gz JVXGWBLHIAFRQO-AZUAARDMSA-N 1 0 410.848 2.346 40 0 HEABRO O=C(c1ccccc1)N1CC[C@H](O)[C@@](O)(C[NH2+]Cc2cccc(C(F)(F)F)c2)C1 ZINC000585285707 559121657 /nfs/dbraw/zinc/12/16/57/559121657.db2.gz SGNZANADOJNVAK-AZUAARDMSA-N 1 0 408.420 2.433 40 0 HEABRO Cc1ccccc1CC[NH2+]C[C@@]1(O)CN(C(=O)c2ccc(Cl)cc2)CC[C@@H]1O ZINC000585286195 559121824 /nfs/dbraw/zinc/12/18/24/559121824.db2.gz XGSIXWPRQNOKSA-RBBKRZOGSA-N 1 0 402.922 2.419 40 0 HEABRO O=C(CCc1ccccc1)N1CC[C@@H](O)[C@](O)(C[NH2+]CCc2c[nH]c3ccccc23)C1 ZINC000585286941 559122180 /nfs/dbraw/zinc/12/21/80/559122180.db2.gz YHNLOWXDGZXWSQ-NOZRDPDXSA-N 1 0 421.541 2.257 40 0 HEABRO O=C(CCc1ccccc1)N1CC[C@](O)(C[NH2+]Cc2ccc(Cl)cc2)[C@@H](O)C1 ZINC000585289463 559122365 /nfs/dbraw/zinc/12/23/65/559122365.db2.gz HBMXIWWNHROCNZ-UNMCSNQZSA-N 1 0 402.922 2.387 40 0 HEABRO OC[C@@H]1[C@@H](O)[C@@H](O)[C@H](Cc2ccccc2)[N@@H+]1Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000585294729 559137622 /nfs/dbraw/zinc/13/76/22/559137622.db2.gz IIVVMGMHNZACPQ-LNRXMEIDSA-N 1 0 413.905 2.035 40 0 HEABRO COc1ccc(CN2CC3(C2)C[N@H+](CCc2ccccc2)C[C@@H]2C[C@@H](O)CN23)cc1 ZINC000514289514 560032492 /nfs/dbraw/zinc/03/24/92/560032492.db2.gz MZPKXMPKFSUIOE-XZOQPEGZSA-N 1 0 407.558 2.243 40 0 biogenic,in-vitro HEABRO C[NH+](C)CCCn1c(SCC(=O)NCc2ccco2)nnc1-c1ccncc1 ZINC000004130378 560599611 /nfs/dbraw/zinc/59/96/11/560599611.db2.gz ICOSPUCGGCSAJU-UHFFFAOYSA-N 1 0 400.508 2.293 40 0 HEABRO Cc1ccc2cc(CN(CCCO)C(=S)NCCC[NH+](C)C)c(=O)[nH]c2c1C ZINC000004132323 560599956 /nfs/dbraw/zinc/59/99/56/560599956.db2.gz LGRZIXJLJYYODW-UHFFFAOYSA-N 1 0 404.580 2.156 40 0 HEABRO CCCCNC(=S)N(CC[NH+](C)C)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000004160480 560601445 /nfs/dbraw/zinc/60/14/45/560601445.db2.gz OBIJVPVTNJHTDC-UHFFFAOYSA-N 1 0 404.536 2.295 40 0 HEABRO CCOc1ccc(N(CC(=O)NCCC[NH+]2CCCCCC2)S(C)(=O)=O)cc1 ZINC000010111168 560763746 /nfs/dbraw/zinc/76/37/46/560763746.db2.gz GIAFWIXQHKFLJT-UHFFFAOYSA-N 1 0 411.568 2.234 40 0 HEABRO Cc1nccn1-c1ccc(CNC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)cc1 ZINC000216186835 568463519 /nfs/dbraw/zinc/46/35/19/568463519.db2.gz LDFQEBNZHDLLKM-UHFFFAOYSA-N 1 0 416.478 2.402 40 0 HEABRO COCCc1nccc(C[C@H]2[C@H]([NH2+]Cc3cccc(Cl)c3)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382574 568489573 /nfs/dbraw/zinc/48/95/73/568489573.db2.gz SFQWZMLGGXAQEC-UAFMIMERSA-N 1 0 405.926 2.009 40 0 biogenic,in-vitro HEABRO CCS(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000224534124 568583991 /nfs/dbraw/zinc/58/39/91/568583991.db2.gz PUIRUJZEIFZPJT-HXUWFJFHSA-N 1 0 407.580 2.350 40 0 HEABRO COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NC2CC[NH+](C)CC2)cc1OC ZINC000224793838 568597081 /nfs/dbraw/zinc/59/70/81/568597081.db2.gz LJAFJUHFTWGDLZ-JXAWBTAJSA-N 1 0 413.474 2.278 40 0 HEABRO C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCC[N@@H+]1CCC[C@H](C)C1 ZINC000260793509 568739424 /nfs/dbraw/zinc/73/94/24/568739424.db2.gz KMWJQHMSMKTWAJ-DLBZAZTESA-N 1 0 411.568 2.088 40 0 HEABRO C[N@@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)Cn1cccnc1=O)[C@@H]2Cc1ccccc1 ZINC000257206895 568778123 /nfs/dbraw/zinc/77/81/23/568778123.db2.gz BFJDMYRBTGMUMX-ZTGMJEERSA-N 1 0 406.530 2.328 40 0 HEABRO CC(=O)Nc1cc(NC(=O)CN2CC[C@](O)(C[NH+]3CCC(F)(F)CC3)C2)ccc1C ZINC000257250179 568790283 /nfs/dbraw/zinc/79/02/83/568790283.db2.gz JLJRRNPMOPHZBU-FQEVSTJZSA-N 1 0 424.492 2.060 40 0 HEABRO COc1cccc(C(=O)N[C@@H]2C[C@@H](Oc3cccnc3)[C@H](O)[C@H]2[NH+]2CCCCC2)c1 ZINC000257251614 568790663 /nfs/dbraw/zinc/79/06/63/568790663.db2.gz JRLOIRVFFXMDPQ-CZYKHXBRSA-N 1 0 411.502 2.255 40 0 HEABRO C[N@@H+]1[C@H](Cc2ccccc2)C[C@@]2(C)[C@@H]1CCCCCN2C(=O)CN1C(=O)CNC1=O ZINC000257263413 568793713 /nfs/dbraw/zinc/79/37/13/568793713.db2.gz LPVCYFYDHWLIFV-MSYCTHLASA-N 1 0 412.534 2.015 40 0 HEABRO CC(=O)NC1CC[NH+](C[C@@]2(O)CCCN(C(=O)c3cccc(Cl)c3)CC2)CC1 ZINC000257311118 568807799 /nfs/dbraw/zinc/80/77/99/568807799.db2.gz UIBVKONUBRDJNI-OAQYLSRUSA-N 1 0 407.942 2.298 40 0 HEABRO CN(C)c1cc(CN(C)S(=O)(=O)CCCc2ccccc2)nc([C@H]2CCC[NH2+]2)n1 ZINC000019760132 568870530 /nfs/dbraw/zinc/87/05/30/568870530.db2.gz CXHNGVZUZCZJNN-LJQANCHMSA-N 1 0 417.579 2.362 40 0 HEABRO Cc1ccc(C[N@H+]2C[C@@H]3c4nn(Cc5ccc(C)cc5)c(=O)c(=O)n4C[C@@H]3C2)s1 ZINC000306125448 568888267 /nfs/dbraw/zinc/88/82/67/568888267.db2.gz CRFJFHMVYDEZMU-HKUYNNGSSA-N 1 0 408.527 2.361 40 0 HEABRO CN(Cc1ccccc1)C(=O)[C@H]1C[N@H+](C)CC2(CCN(C(=O)c3ccco3)CC2)O1 ZINC000306127521 568890601 /nfs/dbraw/zinc/89/06/01/568890601.db2.gz GAONVXTWXLNLEE-HXUWFJFHSA-N 1 0 411.502 2.244 40 0 HEABRO O=c1c(=O)n(Cc2cccs2)nc2n1CC[C@@]21CC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000306128197 568891002 /nfs/dbraw/zinc/89/10/02/568891002.db2.gz GTYREGIMVJILPN-OAQYLSRUSA-N 1 0 412.490 2.201 40 0 HEABRO Cn1cc(C[N@@H+]2C[C@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccsc2)C3=O)cn1 ZINC000306129745 568892240 /nfs/dbraw/zinc/89/22/40/568892240.db2.gz ILNYPYIGQQHAJV-IRLDBZIGSA-N 1 0 423.542 2.274 40 0 HEABRO O=c1c(=O)n(Cc2cccs2)nc2n1CC[C@]21CC[N@@H+](Cc2cccc(F)c2)C1 ZINC000306131412 568893609 /nfs/dbraw/zinc/89/36/09/568893609.db2.gz KDWABVXMLRJXSL-NRFANRHFSA-N 1 0 412.490 2.201 40 0 HEABRO O=C1N(Cc2ccncc2)CCO[C@@]12C[N@H+](Cc1ccco1)C[C@H]2c1cccnc1 ZINC000306132794 568895150 /nfs/dbraw/zinc/89/51/50/568895150.db2.gz LSEZDQOYRQUHQK-JTHBVZDNSA-N 1 0 404.470 2.467 40 0 HEABRO Cn1cc(C[N@@H+]2C[C@@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccccc2)C3=O)cn1 ZINC000306133914 568895814 /nfs/dbraw/zinc/89/58/14/568895814.db2.gz MZDQKQLFWHTJCB-UPVQGACJSA-N 1 0 417.513 2.212 40 0 HEABRO COc1cccc(C[N@@H+]2CC[C@]3(CCn4c3nn(Cc3cccs3)c(=O)c4=O)C2)c1 ZINC000306136862 568898785 /nfs/dbraw/zinc/89/87/85/568898785.db2.gz QFFQAUZELUTHQM-QFIPXVFZSA-N 1 0 424.526 2.071 40 0 HEABRO Cc1csc(C[NH+]2CCC3(CCn4c3nn(Cc3ccccc3)c(=O)c4=O)CC2)n1 ZINC000306138457 568900383 /nfs/dbraw/zinc/90/03/83/568900383.db2.gz RXVVVMFNSPFGBK-UHFFFAOYSA-N 1 0 423.542 2.156 40 0 HEABRO CC[NH+](CC)CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C)cc1C ZINC000575422717 569026248 /nfs/dbraw/zinc/02/62/48/569026248.db2.gz CCLIGGKKEZQZSG-GOSISDBHSA-N 1 0 416.609 2.213 40 0 HEABRO CC(=O)N1CC[C@@](Cc2cc(-c3ccccc3)no2)(C(=O)NC2CC[NH+](C)CC2)C1 ZINC000019703494 569347490 /nfs/dbraw/zinc/34/74/90/569347490.db2.gz JENCWIPJRMDVJR-QHCPKHFHSA-N 1 0 410.518 2.333 40 0 HEABRO CC[C@@H](C)Nc1nc(N2CCc3ccc(S(N)(=O)=O)cc3C2)cc(C(C)C)[nH+]1 ZINC000329068708 571309108 /nfs/dbraw/zinc/30/91/08/571309108.db2.gz YSGHTSQSSZCNBD-CQSZACIVSA-N 1 0 403.552 3.021 40 0 HEABRO Cn1nc(-c2ccccc2)cc1[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNC(=O)N1CCOCC1 ZINC000008635319 291210959 /nfs/dbraw/zinc/21/09/59/291210959.db2.gz JOSYROTUUZLKCK-ZCNNSNEGSA-N 1 0 409.534 2.307 40 0 biogenic,in-vitro HEABRO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=S)NC(=O)c2ccccc2)c1 ZINC000408576349 557479658 /nfs/dbraw/zinc/47/96/58/557479658.db2.gz XLHZCWSPLQFQBC-UHFFFAOYSA-N 1 0 412.515 2.352 40 0 HEABRO COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCC[NH+]1CCCCCC1 ZINC000408703527 557728674 /nfs/dbraw/zinc/72/86/74/557728674.db2.gz RYNVNPCMWQPXJD-UHFFFAOYSA-N 1 0 423.579 2.476 40 0 HEABRO CCCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1([NH2+][C@H]2Cc2ccc(O)cc2)C(=O)Nc2ccccc21 ZINC000008970936 557816763 /nfs/dbraw/zinc/81/67/63/557816763.db2.gz ILADSGPWFWVNAD-AZXNSQLWSA-N 1 0 419.481 2.155 40 0 HEABRO CC(C)[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000036569397 557849086 /nfs/dbraw/zinc/84/90/86/557849086.db2.gz ZVVINHNERSCXLG-MISYRCLQSA-N 1 0 407.580 2.370 40 0 HEABRO CS(=O)(=O)N(CC(=O)NCCC[NH+]1CCCCCC1)c1ccccc1Cl ZINC000010111164 557855170 /nfs/dbraw/zinc/85/51/70/557855170.db2.gz AFTLJKLIOYNODR-UHFFFAOYSA-N 1 0 401.960 2.488 40 0 HEABRO COCCn1c2nc([C@@H]3CCC[N@H+](CCc4ccccc4)C3)ccc2c(=O)n(C)c1=O ZINC000019743036 558263292 /nfs/dbraw/zinc/26/32/92/558263292.db2.gz JLJLTKLXUGAJTB-LJQANCHMSA-N 1 0 422.529 2.164 40 0 HEABRO COCCn1c2nc([C@H]3CCC[N@H+](CCc4ccccc4)C3)ccc2c(=O)n(C)c1=O ZINC000019743038 558263390 /nfs/dbraw/zinc/26/33/90/558263390.db2.gz JLJLTKLXUGAJTB-IBGZPJMESA-N 1 0 422.529 2.164 40 0 HEABRO C[NH+](C)C[C@H]1CCCN(C(=O)Cn2cc(C(=O)Nc3ccc(F)cc3)ccc2=O)C1 ZINC000019751333 558271271 /nfs/dbraw/zinc/27/12/71/558271271.db2.gz SYZJBFICBVSTPV-MRXNPFEDSA-N 1 0 414.481 2.040 40 0 HEABRO COc1cccc(CNC(=O)c2cnc([C@H]3CC[N@H+](Cc4cnn(C)c4)C3)nc2C)c1 ZINC000019753832 558273046 /nfs/dbraw/zinc/27/30/46/558273046.db2.gz SUIACDBANOTBHC-IBGZPJMESA-N 1 0 420.517 2.447 40 0 HEABRO Cn1nccc1C[N@@H+]1CC[C@@H](c2cc(C(=O)N3CCOCC3)c3ccccc3n2)C1 ZINC000019762699 558277139 /nfs/dbraw/zinc/27/71/39/558277139.db2.gz KYUHJSOSAARTNL-QGZVFWFLSA-N 1 0 405.502 2.430 40 0 HEABRO Cc1nn(CC(=O)NCCC[N@H+]2CCC[C@H](C)C2)c(=O)c2cc3sccc3n21 ZINC000012115258 558327746 /nfs/dbraw/zinc/32/77/46/558327746.db2.gz PMGAQXTXPVMPSX-AWEZNQCLSA-N 1 0 401.536 2.257 40 0 HEABRO C[NH+](C)CCNC(=O)CN1N=C(c2ccccc2)Cn2c3ccsc3cc2C1=O ZINC000012145898 558337376 /nfs/dbraw/zinc/33/73/76/558337376.db2.gz ZDAWTWUKUAWYIJ-UHFFFAOYSA-N 1 0 409.515 2.241 40 0 HEABRO O=c1[nH]c2ccc(S(=O)(=O)NCc3ccccc3C[NH+]3CCCCC3)cc2[nH]1 ZINC000012239534 558360185 /nfs/dbraw/zinc/36/01/85/558360185.db2.gz KWGSNMDBEZRJFN-UHFFFAOYSA-N 1 0 400.504 2.321 40 0 HEABRO CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@H]1c1ccc(OC)cc1 ZINC000020636765 558396115 /nfs/dbraw/zinc/39/61/15/558396115.db2.gz UZWLBXWFISULRZ-PMACEKPBSA-N 1 0 407.470 2.460 40 0 HEABRO COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCCC[NH+]1CCCCCC1 ZINC000013669505 558561107 /nfs/dbraw/zinc/56/11/07/558561107.db2.gz DWBHROUQGXIVCC-UHFFFAOYSA-N 1 0 423.579 2.476 40 0 HEABRO CC[C@@H](C(=O)NCC[NH+]1CCCCC1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712883 558576933 /nfs/dbraw/zinc/57/69/33/558576933.db2.gz ZDIGEYMHOSQIGZ-KRWDZBQOSA-N 1 0 401.960 2.487 40 0 HEABRO CCS(=O)(=O)N1CCC(C(=O)NCc2ccccc2C[NH+]2CCCCC2)CC1 ZINC000030552281 558732607 /nfs/dbraw/zinc/73/26/07/558732607.db2.gz HJCLJFYDCWHLOU-UHFFFAOYSA-N 1 0 407.580 2.350 40 0 HEABRO O=C([C@@H]1CCCO1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](C2CCCCC2)C3)C1 ZINC000019014894 558836954 /nfs/dbraw/zinc/83/69/54/558836954.db2.gz ZEAJTFDOYZDYTO-KXBFYZLASA-N 1 0 400.523 2.368 40 0 HEABRO Cc1cc(-c2cnc(N3CCOCC3)nc2C2CC[NH+](Cc3cnn(C)c3)CC2)on1 ZINC000019123284 558844039 /nfs/dbraw/zinc/84/40/39/558844039.db2.gz CWCXCERCIZRYNJ-UHFFFAOYSA-N 1 0 423.521 2.390 40 0 HEABRO COc1cc(C[N@@H+]2CCC[C@@H](c3cc(N)n4nc(C)cc4n3)C2)ccc1OCCO ZINC000019129267 558845219 /nfs/dbraw/zinc/84/52/19/558845219.db2.gz GKAFVEYSKJHPSI-QGZVFWFLSA-N 1 0 411.506 2.379 40 0 HEABRO Cc1csc([C@@H](Cc2cccs2)NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)n1 ZINC000019240030 558858762 /nfs/dbraw/zinc/85/87/62/558858762.db2.gz HPGFJRATKNEXLP-GDBMZVCRSA-N 1 0 406.577 2.323 40 0 HEABRO O=C(CCn1cccn1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](C2CCCCC2)C3)C1 ZINC000019406080 558884954 /nfs/dbraw/zinc/88/49/54/558884954.db2.gz AZJGONYILZASJX-QGZVFWFLSA-N 1 0 424.549 2.063 40 0 HEABRO COc1ccc(CC(=O)N2CCC[C@@H]2c2nc3c(c(=O)[nH]2)C[N@@H+](C(C)C)CC3)cc1 ZINC000019448261 558887212 /nfs/dbraw/zinc/88/72/12/558887212.db2.gz VTJCLEDPELEUOK-HXUWFJFHSA-N 1 0 410.518 2.451 40 0 HEABRO COc1ccccc1C[N@@H+]1CCC[C@H](c2nc3c(c(=O)[nH]2)CN(C(=O)C2CC2)CC3)C1 ZINC000019570351 558929085 /nfs/dbraw/zinc/92/90/85/558929085.db2.gz UXUCBTYCRDQUMN-SFHVURJKSA-N 1 0 422.529 2.453 40 0 HEABRO CC(C)C[N@@H+]1CC2(CCN(C(=O)Cc3ccc(F)cn3)CC2)[C@]2(CCN(C)C2=O)C1 ZINC000585091846 559022897 /nfs/dbraw/zinc/02/28/97/559022897.db2.gz PYMKIMMRKMZKJW-HSZRJFAPSA-N 1 0 416.541 2.192 40 0 HEABRO O=C(NCc1ccon1)[C@H]1C[N@H+](Cc2ccc(-n3ccnc3)cc2)CC12CCOCC2 ZINC000585101968 559025143 /nfs/dbraw/zinc/02/51/43/559025143.db2.gz LEASSSPRZMQJAY-OAQYLSRUSA-N 1 0 421.501 2.405 40 0 HEABRO CC(C)CC[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2cc(C3CC3)on2)CC1 ZINC000585106003 559028243 /nfs/dbraw/zinc/02/82/43/559028243.db2.gz CIAPRVXUHCESTN-SJORKVTESA-N 1 0 400.523 2.251 40 0 HEABRO CC[C@H](C)C[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2cc(C3CC3)on2)CC1 ZINC000585106111 559028424 /nfs/dbraw/zinc/02/84/24/559028424.db2.gz MWAYIGHUPJJXSE-UAGQMJEPSA-N 1 0 400.523 2.251 40 0 HEABRO CC[C@@H](C)C[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000585106124 559028445 /nfs/dbraw/zinc/02/84/45/559028445.db2.gz OHOYIKYSHVDOJG-AHRSYUTCSA-N 1 0 401.526 2.453 40 0 HEABRO O=C(c1cc(C2CC2)on1)N1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](CC3CCCC3)C[C@@H]12 ZINC000585106340 559028675 /nfs/dbraw/zinc/02/86/75/559028675.db2.gz XODMFXDRZXJGFQ-MSOLQXFVSA-N 1 0 412.534 2.395 40 0 HEABRO CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc3c(c2)CCO3)CC1 ZINC000585106284 559028719 /nfs/dbraw/zinc/02/87/19/559028719.db2.gz NWQOTRXWLSEJKG-AHRSYUTCSA-N 1 0 411.546 2.463 40 0 HEABRO COc1cccc(CNC(=O)[C@@H]2Cn3ccnc3C3(CC[NH+](CC4CC4)CC3)O2)c1 ZINC000096036670 559090529 /nfs/dbraw/zinc/09/05/29/559090529.db2.gz RDFUPHWZRTXMEI-FQEVSTJZSA-N 1 0 410.518 2.308 40 0 HEABRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(S(=O)(=O)C3CC3)CC2)c2ccccc21 ZINC000096052915 559092693 /nfs/dbraw/zinc/09/26/93/559092693.db2.gz TYQFOYQTPKDJHW-QGZVFWFLSA-N 1 0 419.591 2.068 40 0 HEABRO Cc1cc(C(=O)N2CCC3(CC[C@@]4(C(=O)NCC(C)C)C[N@@H+](C)C[C@@H]34)CC2)no1 ZINC000096143844 559096244 /nfs/dbraw/zinc/09/62/44/559096244.db2.gz MJPPYYCCMDHQHW-PGRDOPGGSA-N 1 0 402.539 2.319 40 0 HEABRO Cn1cc(-c2cnc(N3CCCC3)nc2)cc1C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000096147578 559098531 /nfs/dbraw/zinc/09/85/31/559098531.db2.gz NEFXOUAMATVVQC-UHFFFAOYSA-N 1 0 417.517 2.440 40 0 HEABRO O=C(NCc1ccccn1)[C@@H]1Cn2ccnc2C2(CC[NH+](Cc3ccccc3)CC2)O1 ZINC000096243856 559104872 /nfs/dbraw/zinc/10/48/72/559104872.db2.gz WCVRLMNSDNWUPO-NRFANRHFSA-N 1 0 417.513 2.485 40 0 HEABRO 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 559121138 /nfs/dbraw/zinc/12/11/38/559121138.db2.gz SGXQMYNAEKTJPW-FWKCKQQBSA-N 1 0 416.562 2.087 40 0 HEABRO 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ZINC000257244734 559284199 /nfs/dbraw/zinc/28/41/99/559284199.db2.gz IMOXAGOBCXUAEE-QFIPXVFZSA-N 1 0 411.481 2.264 40 0 HEABRO COc1ccc(N(CC(=O)NCCC[NH+](C)C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000010111371 560763805 /nfs/dbraw/zinc/76/38/05/560763805.db2.gz ZBNTWPWGUHQGGD-UHFFFAOYSA-N 1 0 419.547 2.267 40 0 HEABRO COc1ccc(Cl)cc1N([C@H](C)C(=O)NCCC[NH+]1CCCC1)S(C)(=O)=O ZINC000010450163 560769746 /nfs/dbraw/zinc/76/97/46/560769746.db2.gz ZNCBOGOFLXIIAH-CQSZACIVSA-N 1 0 417.959 2.105 40 0 HEABRO COc1cc(CNCC[NH2+]C[C@H](C)O)cc(Br)c1OCc1cccnc1 ZINC000022107410 568475357 /nfs/dbraw/zinc/47/53/57/568475357.db2.gz PGZZRBHUDJCYFQ-AWEZNQCLSA-N 1 0 424.339 2.492 40 0 HEABRO O=C(C[C@H]1C[C@H]2O[C@H](C[NH2+]C3CCCCC3)[C@@H](O)[C@H]2O1)NCc1ccc(F)cc1 ZINC000604381236 568489159 /nfs/dbraw/zinc/48/91/59/568489159.db2.gz GEXZMQQLTGCOPF-GIGYVVOSSA-N 1 0 406.498 2.040 40 0 biogenic,in-vitro HEABRO CCCCNC(=O)C[NH+]1CCC(c2cc3nc(N(CC)CC)ncc3c(=O)[nH]2)CC1 ZINC000057775405 568497491 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CC[C@H]1CCCC[N@@H+]1CCCNC(=O)CN(Cc1ccccc1F)S(C)(=O)=O ZINC000260769947 568738332 /nfs/dbraw/zinc/73/83/32/568738332.db2.gz UAFCEPYFMKKLEZ-SFHVURJKSA-N 1 0 413.559 2.358 40 0 HEABRO CSc1ccc(S(=O)(=O)N(C)CC(=O)NCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260810630 568739984 /nfs/dbraw/zinc/73/99/84/568739984.db2.gz IWVBEROEOLOHHE-INIZCTEOSA-N 1 0 413.609 2.267 40 0 HEABRO CC1CC[NH+](CC(=O)N2CCC3(CC2)C[C@@H](O)[C@H](c2ccccc2)N(C)C3=O)CC1 ZINC000257201298 568776409 /nfs/dbraw/zinc/77/64/09/568776409.db2.gz AHBODUBVTDACLX-IRLDBZIGSA-N 1 0 413.562 2.291 40 0 HEABRO COC[C@H](C)NC(=O)C[NH+]1CCC2(CC1)CC=CCN(CCc1ccccc1)C2=O ZINC000257203580 568777098 /nfs/dbraw/zinc/77/70/98/568777098.db2.gz AQTFBNWFDYYVGX-FQEVSTJZSA-N 1 0 413.562 2.251 40 0 HEABRO CN(C[C@]1(O)CCCN(c2ccnc3cccnc32)C1)C(=O)c1ccc(C[NH3+])cc1 ZINC000257280462 568798517 /nfs/dbraw/zinc/79/85/17/568798517.db2.gz OKZJKWNBAQXBSX-HSZRJFAPSA-N 1 0 405.502 2.192 40 0 HEABRO C[N@@H+]1CCN(C(=O)C(C)(c2ccccc2)c2ccccc2)C[C@](O)(Cn2cccn2)C1 ZINC000257327370 568812502 /nfs/dbraw/zinc/81/25/02/568812502.db2.gz XBBWXRVHADDXNX-VWLOTQADSA-N 1 0 418.541 2.394 40 0 HEABRO Cc1ccsc1C[N@@H+]1CC[C@@]2(CCn3c2nn(Cc2cccs2)c(=O)c3=O)C1 ZINC000306124745 568887626 /nfs/dbraw/zinc/88/76/26/568887626.db2.gz BYBPZJCCZGYAKZ-HXUWFJFHSA-N 1 0 414.556 2.432 40 0 HEABRO COc1ccccc1C[N@@H+]1CCOC[C@]2(CC[C@@H](CNC(=O)c3cccnc3)O2)C1 ZINC000306125772 568888616 /nfs/dbraw/zinc/88/86/16/568888616.db2.gz DBVZISPYSRIZPL-REWPJTCUSA-N 1 0 411.502 2.270 40 0 HEABRO O=c1c2c(nc3n1CC1(C3)CC[NH+](Cc3ccoc3)CC1)CCN(c1ncccn1)C2 ZINC000306134514 568896437 /nfs/dbraw/zinc/89/64/37/568896437.db2.gz NPRKWJMXAGFICL-UHFFFAOYSA-N 1 0 418.501 2.028 40 0 HEABRO CCc1ccc(C[N@@H+]2CC[C@]3(C2)Cn2c(=O)c(=O)n(C4CCCC4)nc2CO3)cc1 ZINC000306138027 568899895 /nfs/dbraw/zinc/89/98/95/568899895.db2.gz RNAYVYCLEKWTOF-QHCPKHFHSA-N 1 0 410.518 2.257 40 0 HEABRO C[NH+](C)CCn1ccc(-c2nc(C(=O)NCCCn3ccnc3)c3ccccn32)c1 ZINC000306140739 568902595 /nfs/dbraw/zinc/90/25/95/568902595.db2.gz VCUGVPKFFYBVOU-UHFFFAOYSA-N 1 0 405.506 2.381 40 0 HEABRO C[N@@H+]1C[C@@H](C(=O)NCc2ccc(F)cc2)OC2(CCN(C(=O)c3ccco3)CC2)C1 ZINC000306144660 568906056 /nfs/dbraw/zinc/90/60/56/568906056.db2.gz ZLKATQAKCHGKLR-IBGZPJMESA-N 1 0 415.465 2.041 40 0 HEABRO Nc1cccc(-c2cn(C[C@H]3C[C@H]4CC[N@@H+]3C[C@@H]4C(=O)NCc3ccco3)nn2)c1 ZINC000008253929 568985342 /nfs/dbraw/zinc/98/53/42/568985342.db2.gz HTHYRPLAJHTJSZ-ZTNFWEORSA-N 1 0 406.490 2.147 40 0 biogenic,in-vitro HEABRO CC[NH+](CC)CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000575425594 569026883 /nfs/dbraw/zinc/02/68/83/569026883.db2.gz TYYBGEYNCHYUPP-MRXNPFEDSA-N 1 0 423.000 2.250 40 0 HEABRO CCOc1ccc(NC(=O)N2CCN(c3cc(N4CCOCC4)cn[nH+]3)CC2)cc1 ZINC000224323192 569057312 /nfs/dbraw/zinc/05/73/12/569057312.db2.gz ABUGXCSNBRSPQB-UHFFFAOYSA-N 1 0 412.494 2.066 40 0 HEABRO C[C@@H]1CCC[N@H+](CC(C)(C)NC(=O)c2cc(C3CC3)n([C@H]3CCS(=O)(=O)C3)n2)C1 ZINC000253602862 569318370 /nfs/dbraw/zinc/31/83/70/569318370.db2.gz SICLQQZOPMUEEB-WBVHZDCISA-N 1 0 422.595 2.360 40 0 HEABRO COc1ccccc1CNc1n[nH]c2nc([C@@H]3CCN(C(=O)C[NH+](C)C)C3)ccc12 ZINC000019705140 569347860 /nfs/dbraw/zinc/34/78/60/569347860.db2.gz YJBVSJNGLLKRHQ-MRXNPFEDSA-N 1 0 408.506 2.456 40 0 HEABRO CCS(=O)(=O)N1CCC[C@H](C(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000058051244 569352316 /nfs/dbraw/zinc/35/23/16/569352316.db2.gz DHNSJAGOCCUDEB-FQEVSTJZSA-N 1 0 407.580 2.350 40 0 HEABRO COc1ccccc1OCC(=O)N(C)Cc1cc(N(C)C)nc([C@@H]2CCC[NH2+]C2)n1 ZINC000019709666 569428848 /nfs/dbraw/zinc/42/88/48/569428848.db2.gz XUNZSKCDSXNCGR-MRXNPFEDSA-N 1 0 413.522 2.056 40 0 HEABRO CNc1cc(CN(C)C(=O)[C@H](c2ccc(F)cc2)N(C)C)nc(C2CC[NH2+]CC2)n1 ZINC000019710168 569428879 /nfs/dbraw/zinc/42/88/79/569428879.db2.gz JKLGBKNNNNTETJ-FQEVSTJZSA-N 1 0 414.529 2.386 40 0 HEABRO C[NH+](C)CCNc1nc(Nc2ccc(N3CCOCC3)cc2)cc(C(F)(F)F)n1 ZINC000328962913 571304727 /nfs/dbraw/zinc/30/47/27/571304727.db2.gz BKLKQYNZUKUARQ-UHFFFAOYSA-N 1 0 410.444 3.049 40 0 HEABRO CN1[C@@H]2CC[N@H+](CC(C)(C)C)[C@@H]2C(=O)NC[C@@H]1CCC(=O)NCc1ccccc1 ZINC000035442428 291205537 /nfs/dbraw/zinc/20/55/37/291205537.db2.gz BGSYVRDYBNVVMX-ZVDOUQERSA-N 1 0 400.567 2.002 40 0 biogenic,in-vitro HEABRO CN(Cc1cc(C[C@H]2C[NH2+]CC[C@H]2CC(=O)N2CCOCC2)no1)c1ccccc1 ZINC000012482718 291205324 /nfs/dbraw/zinc/20/53/24/291205324.db2.gz XMBGGTLVBNYXOE-OALUTQOASA-N 1 0 412.534 2.328 40 0 biogenic,in-vitro HEABRO COCCOc1ncccc1-c1noc([C@@H]2CCC[N@@H+]2C2CCN(C(C)=O)CC2)n1 ZINC000035424954 291206611 /nfs/dbraw/zinc/20/66/11/291206611.db2.gz UCJFDHMXUHQVQO-SFHVURJKSA-N 1 0 415.494 2.305 40 0 biogenic,in-vitro HEABRO COc1ccc(S(=O)(=O)NC[C@H]2C[C@@H]3CCN2C[C@@H]3C[NH+]2CCC(C)CC2)cc1 ZINC000012602510 291208766 /nfs/dbraw/zinc/20/87/66/291208766.db2.gz UIAFSNMWUCOONI-SLFFLAALSA-N 1 0 421.607 2.416 40 0 biogenic,in-vitro HEABRO COc1ccc2nc3n(c2c1)[C@@H](C[NH2+]Cc1ccc(S(C)(=O)=O)cc1)COC3 ZINC000096112637 291209406 /nfs/dbraw/zinc/20/94/06/291209406.db2.gz BFTLRQDTWLUFHZ-HNNXBMFYSA-N 1 0 401.488 2.310 40 0 biogenic,in-vitro HEABRO C[C@@H](CCC(=O)N1CCC(c2ccc(C(=O)N(C)C)c(N)n2)CC1)[NH+]1CCCC1 ZINC000019765780 558278141 /nfs/dbraw/zinc/27/81/41/558278141.db2.gz XRAUPGYLNDWUOX-INIZCTEOSA-N 1 0 401.555 2.336 40 0 HEABRO CCN1C(=O)[C@H](c2ccc(F)cc2)C2(CC[NH+](CC(=O)N3CCCCC3)CC2)C1=O ZINC000012115846 558327999 /nfs/dbraw/zinc/32/79/99/558327999.db2.gz XALFLSJSYUFWRE-FQEVSTJZSA-N 1 0 415.509 2.393 40 0 HEABRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)C1 ZINC000020244474 558350974 /nfs/dbraw/zinc/35/09/74/558350974.db2.gz OSSLXEQKYNGJCP-IAGOWNOFSA-N 1 0 410.584 2.027 40 0 HEABRO CCOC(=O)C1=C(O)NC(N2CCN(c3ccccc3F)CC2)=[NH+][C@H]1c1ccccc1 ZINC000020636919 558396488 /nfs/dbraw/zinc/39/64/88/558396488.db2.gz CFNCQLHKNUXGSO-PMACEKPBSA-N 1 0 424.476 2.354 40 0 HEABRO Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NC3CC[NH+](C)CC3)CC2)c(C)c1 ZINC000023421523 558557821 /nfs/dbraw/zinc/55/78/21/558557821.db2.gz PQUNPQKZCOJZCR-UHFFFAOYSA-N 1 0 407.580 2.223 40 0 HEABRO COc1ccc(S(=O)(=O)NCCC[NH+]2CCCCCC2)cc1C(=O)N1CCCC1 ZINC000013669359 558561147 /nfs/dbraw/zinc/56/11/47/558561147.db2.gz SVNOHSRUPHCQIP-UHFFFAOYSA-N 1 0 423.579 2.476 40 0 HEABRO CCOc1ccccc1N(CC(=O)NCCC[NH+]1CCC(C)CC1)S(C)(=O)=O ZINC000013670241 558561729 /nfs/dbraw/zinc/56/17/29/558561729.db2.gz YNJPVDCHONATLY-UHFFFAOYSA-N 1 0 411.568 2.090 40 0 HEABRO CC1CC[NH+](CCCNC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)CC1 ZINC000013672100 558562962 /nfs/dbraw/zinc/56/29/62/558562962.db2.gz NIEUQBODDDNVCL-UHFFFAOYSA-N 1 0 401.960 2.344 40 0 HEABRO COC(=O)[C@@]12C[N@@H+](C)C[C@@](C(=O)OC)(C1=O)[C@@H](c1ccccc1)O[C@@H]2c1ccccc1 ZINC000017175883 558824860 /nfs/dbraw/zinc/82/48/60/558824860.db2.gz WXHWUFKLCLYPBR-XUFREYRYSA-N 1 0 423.465 2.333 40 0 HEABRO O=C(C[C@@H]1C=CCC1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](C1CCOCC1)CC2 ZINC000019014478 558836597 /nfs/dbraw/zinc/83/65/97/558836597.db2.gz PJHRBTUYFGMKHG-UZLBHIALSA-N 1 0 412.534 2.327 40 0 HEABRO O=C([C@@H]1CCCO1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](C2CCCCC2)C3)C1 ZINC000019014891 558836943 /nfs/dbraw/zinc/83/69/43/558836943.db2.gz ZEAJTFDOYZDYTO-BEFAXECRSA-N 1 0 400.523 2.368 40 0 HEABRO Cc1cc(-c2cnc(N(C)CC[NH+](C)C)nc2-c2ccc(N3CCOCC3)nc2)on1 ZINC000019123954 558844273 /nfs/dbraw/zinc/84/42/73/558844273.db2.gz CXRQLMXALVWRSP-UHFFFAOYSA-N 1 0 423.521 2.336 40 0 HEABRO Cc1cccc(C[N@@H+]2CC[C@@H](c3nc4c(c(=O)[nH]3)CCN(C(=O)C3CCC3)C4)C2)n1 ZINC000019236155 558855144 /nfs/dbraw/zinc/85/51/44/558855144.db2.gz VUMHVLJIGXQOHZ-QGZVFWFLSA-N 1 0 407.518 2.148 40 0 HEABRO COc1ncc([C@]2(O)CC[C@H]3C[N@H+](Cc4nc(C)n5ccccc45)C[C@H]32)c(OC)n1 ZINC000019240722 558859198 /nfs/dbraw/zinc/85/91/98/558859198.db2.gz JFLRSZCKQSLMDT-LBUQITIBSA-N 1 0 409.490 2.180 40 0 HEABRO Cn1nccc1C[N@@H+]1CCC[C@H](c2nc(N3CCOCC3)ncc2-c2ccncc2)C1 ZINC000019289232 558862112 /nfs/dbraw/zinc/86/21/12/558862112.db2.gz ALYHRFNVUDBJKY-IBGZPJMESA-N 1 0 419.533 2.488 40 0 HEABRO O=C(c1cccnc1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](C2CCCCC2)C3)C1 ZINC000019337363 558870383 /nfs/dbraw/zinc/87/03/83/558870383.db2.gz XTJVCWHOLFKIFW-KRWDZBQOSA-N 1 0 407.518 2.485 40 0 HEABRO O=C(c1ccccc1)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)N1CCn2cnnc2C1 ZINC000019372456 558879870 /nfs/dbraw/zinc/87/98/70/558879870.db2.gz BWDVXNIHJZZATJ-SFTDATJTSA-N 1 0 415.497 2.251 40 0 HEABRO CC(C)[N@@H+]1CCc2nc([C@H]3CCCCN3S(=O)(=O)c3ccccc3)[nH]c(=O)c2C1 ZINC000019448206 558887018 /nfs/dbraw/zinc/88/70/18/558887018.db2.gz RMSRTAHRCAQJTN-LJQANCHMSA-N 1 0 416.547 2.452 40 0 HEABRO CC(C)[N@H+]1CCc2nc3cc(C(=O)N4CCCC[C@@H]4CCO)ccc3c(=O)n2CC1 ZINC000019448601 558887346 /nfs/dbraw/zinc/88/73/46/558887346.db2.gz PRRXDRCZLBNZDZ-GOSISDBHSA-N 1 0 412.534 2.040 40 0 HEABRO CC(C)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccnc(N2CCOCC2)n1 ZINC000019450000 558888501 /nfs/dbraw/zinc/88/85/01/558888501.db2.gz KIZYAOWCOPVPKP-WOJBJXKFSA-N 1 0 409.534 2.053 40 0 HEABRO CC1CCC(CNC(=O)c2cc(C3CC3)n([C@H]3CCS(=O)(=O)C3)n2)([NH+](C)C)CC1 ZINC000019495942 558894755 /nfs/dbraw/zinc/89/47/55/558894755.db2.gz SQXXULBFSKPVHJ-LBKMDBTOSA-N 1 0 422.595 2.360 40 0 HEABRO CCOc1ccc(C[N@@H+]2CCc3nc(-c4cnccn4)[nH]c(=O)c3CC2)cc1OC ZINC000019533918 558913562 /nfs/dbraw/zinc/91/35/62/558913562.db2.gz BESOCSHJVAAQQK-UHFFFAOYSA-N 1 0 407.474 2.235 40 0 HEABRO COCCc1ncc(C[N@@H+]2CCC[C@@H](c3cc(=O)[nH]c(N4CCCCC4)n3)C2)cn1 ZINC000019593844 558945089 /nfs/dbraw/zinc/94/50/89/558945089.db2.gz LFYPOIDUTYOSDT-GOSISDBHSA-N 1 0 412.538 2.119 40 0 HEABRO Cc1nn([C@H](C)C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)c(=O)c2ccccc12 ZINC000019656633 558949408 /nfs/dbraw/zinc/94/94/08/558949408.db2.gz DFNPQTXBBRMVTF-GOSISDBHSA-N 1 0 412.534 2.227 40 0 HEABRO NC(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@H](c3ccc(-c4ccccn4)cn3)C2)CC1 ZINC000019688737 558958164 /nfs/dbraw/zinc/95/81/64/558958164.db2.gz MFNCMEALODUCMY-IBGZPJMESA-N 1 0 407.518 2.047 40 0 HEABRO O=C(c1ccccc1)N1CCC2(CC1)NC(=O)N(C1CC[NH+](CC3CC3)CC1)C2=O ZINC000019699406 558966681 /nfs/dbraw/zinc/96/66/81/558966681.db2.gz XOXPMKSBSLPICS-UHFFFAOYSA-N 1 0 410.518 2.088 40 0 HEABRO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@@](O)(c4cnc(OC)nc4OC)[C@@H]3C2)c(OC)c1 ZINC000072392580 558972355 /nfs/dbraw/zinc/97/23/55/558972355.db2.gz LMFGOOKCALPDED-GKIWIXTESA-N 1 0 415.490 2.241 40 0 HEABRO CNc1nc(C2CC[NH+](C)CC2)nc2c1CN(C(=O)COc1ccc(F)cc1)CC2 ZINC000019710493 558972710 /nfs/dbraw/zinc/97/27/10/558972710.db2.gz XAGKLMIJJCOGOK-UHFFFAOYSA-N 1 0 413.497 2.430 40 0 HEABRO C[NH+](C)C[C@H]1COc2ccccc2CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1CC1 ZINC000072394859 558973774 /nfs/dbraw/zinc/97/37/74/558973774.db2.gz NHLBVQOKHNKKMB-FCHUYYIVSA-N 1 0 421.541 2.475 40 0 HEABRO COc1cc([C@H]2c3cc4c(cc3O[C@H]([NH2+]CCO)[C@H]2C)OCO4)cc(OC)c1O ZINC000073330544 558986301 /nfs/dbraw/zinc/98/63/01/558986301.db2.gz PLYMCEKNTUNNOM-MPZARTNMSA-N 1 0 403.431 2.207 40 0 HEABRO Cc1nc(C)c(C[N@@H+]2C[C@H](C(=O)NCc3ncc(C)cn3)C3(C2)CCOCC3)s1 ZINC000585102000 559025283 /nfs/dbraw/zinc/02/52/83/559025283.db2.gz VENZNOJSDYIOBA-QGZVFWFLSA-N 1 0 415.563 2.403 40 0 HEABRO COc1cc(OC)cc(C(=O)N2CCC3(CO[C@@H](C[N@@H+]4CCC[C@@H](O)C4)C3)CC2)c1 ZINC000585103085 559026337 /nfs/dbraw/zinc/02/63/37/559026337.db2.gz CIIRWZWYQWNSES-WIYYLYMNSA-N 1 0 418.534 2.172 40 0 HEABRO Cc1ccc(OCC(=O)N2CCC3(CO[C@@H](C[N@@H+]4CCC[C@@H](O)C4)C3)CC2)cc1 ZINC000585104839 559027360 /nfs/dbraw/zinc/02/73/60/559027360.db2.gz UCSCGMGEPVRNBP-TZIWHRDSSA-N 1 0 402.535 2.228 40 0 HEABRO C[NH+](C)CCN1C[C@@H](c2ccccc2)[C@@]2(CN(C(=O)c3cccs3)CCO2)C1=O ZINC000585107435 559028005 /nfs/dbraw/zinc/02/80/05/559028005.db2.gz VVKCEXDPUMMWAE-AVRDEDQJSA-N 1 0 413.543 2.147 40 0 HEABRO CC[C@@H](C)C[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc3c(c2)CCO3)CC1 ZINC000585106121 559028465 /nfs/dbraw/zinc/02/84/65/559028465.db2.gz ODVDRKMPVZFQSP-AHRSYUTCSA-N 1 0 411.546 2.320 40 0 HEABRO CC(C)c1ccc(S(=O)(=O)N2CCC3(C[C@H]([NH+]4CCN(C)CC4)CO3)CC2)cc1 ZINC000096220841 559101991 /nfs/dbraw/zinc/10/19/91/559101991.db2.gz LRSJEZCPBLQORY-FQEVSTJZSA-N 1 0 421.607 2.370 40 0 HEABRO COCC[N@H+](C)C[C@H]1CO[C@@]2(C1)CCCN(C(=O)c1nn(C)c3ccccc31)C2 ZINC000096228493 559102839 /nfs/dbraw/zinc/10/28/39/559102839.db2.gz RKVOSAMHVZNAQF-HTAPYJJXSA-N 1 0 400.523 2.163 40 0 HEABRO COCC[N@H+](C)C[C@@H]1CO[C@@]2(C1)CCCN(C(=O)c1nn(C)c3ccccc31)C2 ZINC000096228491 559102880 /nfs/dbraw/zinc/10/28/80/559102880.db2.gz RKVOSAMHVZNAQF-VGOFRKELSA-N 1 0 400.523 2.163 40 0 HEABRO CC(C)C[N@@H+]1CC2(CCN(S(=O)(=O)c3ccccc3)CC2)[C@@]2(CCN(C)C2=O)C1 ZINC000096262573 559106469 /nfs/dbraw/zinc/10/64/69/559106469.db2.gz MTEKCZVCOJAQEL-QFIPXVFZSA-N 1 0 419.591 2.278 40 0 HEABRO CC(C)C[N@@H+]1CC2(CCN(S(=O)(=O)c3ccccc3)CC2)[C@]2(CCN(C)C2=O)C1 ZINC000096262572 559106553 /nfs/dbraw/zinc/10/65/53/559106553.db2.gz MTEKCZVCOJAQEL-JOCHJYFZSA-N 1 0 419.591 2.278 40 0 HEABRO CCN1CC[C@]2(C[N@H+](CCOC)CC23CCN(C(=O)c2cccs2)CC3)C1=O ZINC000096262790 559106710 /nfs/dbraw/zinc/10/67/10/559106710.db2.gz LRRXVCLUWAMTIU-NRFANRHFSA-N 1 0 405.564 2.171 40 0 HEABRO CCOC(=O)N1CCC([N@@H+]2CCOC[C@](O)(COc3ccc(F)c(F)c3)C2)CC1 ZINC000585282496 559120053 /nfs/dbraw/zinc/12/00/53/559120053.db2.gz LCRNGHXDVZJCPT-FQEVSTJZSA-N 1 0 414.449 2.028 40 0 HEABRO O=C(Cc1ccccc1)N1CC[C@H](O)[C@@](O)(C[NH2+]CCc2ccc(Cl)cc2)C1 ZINC000585282986 559120334 /nfs/dbraw/zinc/12/03/34/559120334.db2.gz AJQTZYOWVQQRNX-RBBKRZOGSA-N 1 0 402.922 2.039 40 0 HEABRO O=C(Cc1ccc(Cl)cc1)N1CC[C@H](O)[C@@](O)(C[NH2+]Cc2ccc(F)cc2)C1 ZINC000585285007 559121429 /nfs/dbraw/zinc/12/14/29/559121429.db2.gz NAHNWBLPLVQPGG-PZJWPPBQSA-N 1 0 406.885 2.136 40 0 HEABRO CC[N@H+](Cc1ccncc1)C[C@@]1(O)CN(C(=O)c2ccc(Cl)cc2)CC[C@@H]1O ZINC000585285622 559121669 /nfs/dbraw/zinc/12/16/69/559121669.db2.gz RBDKPBQQCWQTKL-PZJWPPBQSA-N 1 0 403.910 2.195 40 0 HEABRO CC(=O)N1CC[N@H+](CC2(O)CCCCC2)C[C@](O)(COc2cc(C)cc(C)c2)C1 ZINC000585286696 559122075 /nfs/dbraw/zinc/12/20/75/559122075.db2.gz HUURBTUOYKNPPH-HSZRJFAPSA-N 1 0 404.551 2.273 40 0 HEABRO O=C(Cc1ccc(Cl)cc1)N1C[C@@H](O)[C@](O)(C[NH2+]Cc2ccc(Cl)cc2)C1 ZINC000585290954 559123522 /nfs/dbraw/zinc/12/35/22/559123522.db2.gz HRJILXBKZTYZFG-QUCCMNQESA-N 1 0 409.313 2.260 40 0 HEABRO Cn1cccc1C(=O)NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCOCC2)CC1 ZINC000257212395 559282535 /nfs/dbraw/zinc/28/25/35/559282535.db2.gz CDFWBGBAZNILLY-ODGPQVTHSA-N 1 0 411.546 2.329 40 0 HEABRO Cc1ncc(C(=O)NC[C@]2(c3ccccc3)CC[C@H](O)[C@@H]([NH+]3CCOCC3)CC2)cn1 ZINC000257315939 559282833 /nfs/dbraw/zinc/28/28/33/559282833.db2.gz VDJYJYXZOFISOL-WPFOTENUSA-N 1 0 424.545 2.089 40 0 HEABRO O[C@@]1(CN2CCC(F)(F)CC2)CC[N@H+](Cc2cccc(CN3CCOCC3)c2)C1 ZINC000257233169 559283944 /nfs/dbraw/zinc/28/39/44/559283944.db2.gz GOCLGIKTDXZOJM-OAQYLSRUSA-N 1 0 409.521 2.187 40 0 HEABRO C[N@@H+](Cc1ccc(OCC(=O)N2CCOCC2)cc1)C[C@H](O)COC1CCCCC1 ZINC000257282939 559285284 /nfs/dbraw/zinc/28/52/84/559285284.db2.gz OVZKADQWVIXECO-FQEVSTJZSA-N 1 0 420.550 2.066 40 0 HEABRO Cc1ccc2[nH]c(=O)c(CN(CC[NH+](C)C)C(=S)NC[C@H]3CCCO3)cc2c1 ZINC000004133418 560600553 /nfs/dbraw/zinc/60/05/53/560600553.db2.gz HMEFVVQJAMTBEX-GOSISDBHSA-N 1 0 402.564 2.254 40 0 HEABRO Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCCC[NH+](C)C)Oc3ccccc32)cc1 ZINC000010111469 560763814 /nfs/dbraw/zinc/76/38/14/560763814.db2.gz QBKKXECVPXQFPE-FQEVSTJZSA-N 1 0 417.531 2.019 40 0 HEABRO CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](CCSC)[NH2+][C@]21C(=O)Nc2ccc(F)cc21 ZINC000013573230 560814464 /nfs/dbraw/zinc/81/44/64/560814464.db2.gz NVVBORDBMCXQLB-CVCAGPEBSA-N 1 0 405.495 2.098 40 0 HEABRO OC[C@H]1[C@H](O)C[C@@H]([NH2+]Cc2ccccn2)[C@@H]1Cc1ccnc(COc2ccccc2)n1 ZINC000604382153 568489385 /nfs/dbraw/zinc/48/93/85/568489385.db2.gz HVOVGQXLTOCJBX-SSGKUCQKSA-N 1 0 420.513 2.141 40 0 biogenic,in-vitro HEABRO CC[NH+]1CCN(CC(=O)Nc2ccc(S(=O)(=O)N3[C@@H](C)CCC[C@@H]3C)cc2)CC1 ZINC000022920439 568500694 /nfs/dbraw/zinc/50/06/94/568500694.db2.gz WMRJVISAFWRRDB-ROUUACIJSA-N 1 0 422.595 2.214 40 0 HEABRO CC[NH+]1CCN(CC(=O)Nc2ccc(S(=O)(=O)N3[C@H](C)CCC[C@@H]3C)cc2)CC1 ZINC000022920443 568500701 /nfs/dbraw/zinc/50/07/01/568500701.db2.gz WMRJVISAFWRRDB-HDICACEKSA-N 1 0 422.595 2.214 40 0 HEABRO COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC[NH+]3CCCCCC3)C2)cc1 ZINC000026111363 568540804 /nfs/dbraw/zinc/54/08/04/568540804.db2.gz KJQVVKWZCFXKDP-GOSISDBHSA-N 1 0 423.579 2.088 40 0 HEABRO O=C(N1C[C@H](O)[C@@H]([N@@H+]2CCc3ccccc3C2)C1)C1(c2ccccc2)CCOCC1 ZINC000257207086 568778071 /nfs/dbraw/zinc/77/80/71/568778071.db2.gz BGGXNTZDJLQAIV-GOTSBHOMSA-N 1 0 406.526 2.365 40 0 HEABRO Cc1ccc(N2CCC(O)(C[N@@H+]3CCC[C@](C(N)=O)(c4ccccn4)C3)CC2)cc1 ZINC000257244304 568788681 /nfs/dbraw/zinc/78/86/81/568788681.db2.gz IKSXSYPQGFPMLK-XMMPIXPASA-N 1 0 408.546 2.240 40 0 HEABRO O=C(C[NH+]1CCCCCC1)N1CCNC(=O)[C@H]1Cc1ccc(-c2cccnc2)cc1 ZINC000257248030 568789750 /nfs/dbraw/zinc/78/97/50/568789750.db2.gz JBSUFRBTPFQTCL-JOCHJYFZSA-N 1 0 406.530 2.494 40 0 HEABRO NC(=O)[C@@]1(c2ccccn2)CCC[N@H+](CC2(O)CCN(c3ccccc3F)CC2)C1 ZINC000257278243 568797885 /nfs/dbraw/zinc/79/78/85/568797885.db2.gz OBLLYPAGLWBIBF-QHCPKHFHSA-N 1 0 412.509 2.071 40 0 HEABRO CC1CC[NH+](CC(=O)N2CCC[C@](COc3ccc(F)cc3)(CC(N)=O)C2)CC1 ZINC000257296431 568803382 /nfs/dbraw/zinc/80/33/82/568803382.db2.gz RCVDDQAJZBXCBD-QFIPXVFZSA-N 1 0 405.514 2.421 40 0 HEABRO O=C(C[N@H+]1C[C@H]2[C@@H](C1)CCC[C@@H]2Cc1cnccn1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000257302252 568804929 /nfs/dbraw/zinc/80/49/29/568804929.db2.gz SCDJCGYTAPNPLH-IIDMSEBBSA-N 1 0 406.490 2.176 40 0 HEABRO CNC(=O)c1cccc([C@@H]2C[NH2+]CCN2CC(=O)Nc2ccc(N3CCCC3)cc2)c1 ZINC000257340017 568815959 /nfs/dbraw/zinc/81/59/59/568815959.db2.gz ZEDGHSZCJWXKNL-QFIPXVFZSA-N 1 0 421.545 2.231 40 0 HEABRO O=C1N(Cc2cccnc2)CCO[C@]12C[N@H+](Cc1ccccn1)C[C@H]2c1cccnc1 ZINC000306123271 568886582 /nfs/dbraw/zinc/88/65/82/568886582.db2.gz AIVPHBAWXUAIHW-UPVQGACJSA-N 1 0 415.497 2.269 40 0 HEABRO CC(C)N1CC[N@H+](CC2CC2)C[C@H]1c1nnc2ccc(C(=O)NCC(F)(F)F)cn21 ZINC000306124470 568887496 /nfs/dbraw/zinc/88/74/96/568887496.db2.gz BQRFRKXZVDAMJE-INIZCTEOSA-N 1 0 424.471 2.499 40 0 HEABRO O=c1c(=O)n(Cc2ccc(F)cc2)nc2n1C[C@@]1(CC[N@H+](Cc3ccsc3)C1)C2 ZINC000306125013 568888034 /nfs/dbraw/zinc/88/80/34/568888034.db2.gz CEOSVTGCFICQFK-NRFANRHFSA-N 1 0 412.490 2.102 40 0 HEABRO O=C(c1ccsc1)N1CCN(C2=NO[C@H]3CC[N@H+](Cc4ccco4)C[C@@H]23)CC1 ZINC000306126656 568889501 /nfs/dbraw/zinc/88/95/01/568889501.db2.gz FBEQLFAISQOJGI-MSOLQXFVSA-N 1 0 400.504 2.333 40 0 HEABRO O=c1c(=O)n(Cc2cccs2)nc2n1CC[C@@]21CC[N@@H+](Cc2ccccc2F)C1 ZINC000306130331 568892781 /nfs/dbraw/zinc/89/27/81/568892781.db2.gz JCUQHNBMVVFXIC-OAQYLSRUSA-N 1 0 412.490 2.201 40 0 HEABRO COc1ncccc1C[N@H+]1C[C@@H]2Cc3nnc(C(=O)Nc4cccc(F)c4)n3C[C@@H]2C1 ZINC000306134116 568896081 /nfs/dbraw/zinc/89/60/81/568896081.db2.gz NDVMTIMHTZSRTC-HOTGVXAUSA-N 1 0 422.464 2.377 40 0 HEABRO CN1CCN(c2ncc3c(n2)[C@]2(CC[N@H+](Cc4cccc5cc[nH]c54)C2)COC3)CC1 ZINC000306134961 568896984 /nfs/dbraw/zinc/89/69/84/568896984.db2.gz OCPQYGCRFLJHKD-DEOSSOPVSA-N 1 0 418.545 2.384 40 0 HEABRO Cc1cn2c(ncc(C(=O)N3CCO[C@]4(CCCC[C@@H]4[NH+]4CCCC4)C3)c2=O)s1 ZINC000306137734 568899594 /nfs/dbraw/zinc/89/95/94/568899594.db2.gz REOOPRHAUYYKKO-LAUBAEHRSA-N 1 0 416.547 2.314 40 0 HEABRO CC[C@H](C)NC(=O)c1nnc2n1CC1(CC[NH+](Cc3cccc(C)n3)CC1)COC2 ZINC000306139218 568901159 /nfs/dbraw/zinc/90/11/59/568901159.db2.gz SSILMBNLNWNLPM-INIZCTEOSA-N 1 0 412.538 2.322 40 0 HEABRO COc1ccc(NC(=O)c2nnc3n2C[C@H]2C[N@@H+](Cc4ccncc4)C[C@@H]2C3)cc1 ZINC000306139301 568901212 /nfs/dbraw/zinc/90/12/12/568901212.db2.gz SUFDIQOYOOXGHX-DLBZAZTESA-N 1 0 404.474 2.238 40 0 HEABRO Cc1ccsc1C[N@@H+]1CCN2CCn3c(C(=O)NC4CCCC4)nnc3[C@@H]2C1 ZINC000306144530 568905862 /nfs/dbraw/zinc/90/58/62/568905862.db2.gz ZIAYZCVTSWQDAB-INIZCTEOSA-N 1 0 400.552 2.193 40 0 HEABRO CCOC(=O)[C@@]1(C[NH3+])[C@@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218107449 568925779 /nfs/dbraw/zinc/92/57/79/568925779.db2.gz ISKDFYVKIGXWFK-ZJOUEHCJSA-N 1 0 403.500 2.452 40 0 HEABRO Cn1nccc1C[N@@H+]1CC[C@@H](c2c3cccnc3sc2C(=O)N2CCOCC2)C1 ZINC000019702744 569347487 /nfs/dbraw/zinc/34/74/87/569347487.db2.gz BLEHVOKLPKSDCB-OAHLLOKOSA-N 1 0 411.531 2.492 40 0 HEABRO CN(CCc1ccccc1)[C@H]1[C@@H](C[NH2+]Cc2cccc(Cl)c2)O[C@@H](CO)[C@H]1O ZINC000020465833 575368653 /nfs/dbraw/zinc/36/86/53/575368653.db2.gz AEHNFKJRMFLJNX-CLAROIROSA-N 1 0 404.938 2.093 40 0 biogenic,in-vitro HEABRO CC(=O)N1CCC([N@@H+]2C[C@@H]3C[C@H]2C(=O)N(Cc2cccnc2)c2ccccc2O3)CC1 ZINC000096111837 291202645 /nfs/dbraw/zinc/20/26/45/291202645.db2.gz RMYXGNJOIVUDKL-UNMCSNQZSA-N 1 0 420.513 2.461 40 0 biogenic,in-vitro HEABRO CN1[C@@H]2CC[N@H+](CC(C)(C)C)[C@@H]2C(=O)NC[C@@H]1CCC(=O)NCc1cccs1 ZINC000035442462 291205564 /nfs/dbraw/zinc/20/55/64/291205564.db2.gz ONFVXTCJQMHIDY-WDYCEAGBSA-N 1 0 406.596 2.064 40 0 biogenic,in-vitro HEABRO C[NH+](C)C[C@H]1O[C@H](Cc2cc(CN3CCN(c4ccccc4)CC3)on2)CC[C@@H]1O ZINC000096296061 291204965 /nfs/dbraw/zinc/20/49/65/291204965.db2.gz PBPNJONBMNICGS-ACIOBRDBSA-N 1 0 414.550 2.009 40 0 biogenic,in-vitro HEABRO C[C@H](C(=O)Nc1cc2c(cc1N1CC[NH+](C)CC1)n(C)c(=O)n2C)c1ccccc1 ZINC000408534466 557321257 /nfs/dbraw/zinc/32/12/57/557321257.db2.gz VREOBKODRCKUJJ-INIZCTEOSA-N 1 0 407.518 2.371 40 0 HEABRO CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)cc1)[NH2+][C@@]21C(=O)Nc2ccccc21 ZINC000035375520 557531740 /nfs/dbraw/zinc/53/17/40/557531740.db2.gz LRBIMRVFMWSMMB-ITIYDSSPSA-N 1 0 419.481 2.154 40 0 HEABRO O[C@H](C[NH2+]C[C@@H](O)[C@@H]1CCc2cc(F)ccc2O1)[C@@H]1CCc2cc(F)ccc2O1 ZINC000011681534 558269962 /nfs/dbraw/zinc/26/99/62/558269962.db2.gz KOHIRBRYDXPAMZ-UBBRYJJRSA-N 1 0 405.441 2.364 40 0 fda HEABRO COc1ccc(Cl)cc1NC(=O)C[C@@H]1N=C(NC(=[NH2+])Nc2ccccc2)NC1=O ZINC000020635269 558395634 /nfs/dbraw/zinc/39/56/34/558395634.db2.gz RNFOZNWHLNLZQN-AWEZNQCLSA-N 1 0 414.853 2.168 40 0 HEABRO CCOc1ccccc1NC(=O)C[C@H]1N=C(NC(=[NH2+])Nc2ccc(C)cc2)NC1=O ZINC000020799199 558415088 /nfs/dbraw/zinc/41/50/88/558415088.db2.gz GDXZFSQYRAEBBL-MRXNPFEDSA-N 1 0 408.462 2.213 40 0 HEABRO COc1ccc(OC)c(NC(=O)C[C@H]2N=C(NC(=[NH2+])Nc3ccccc3)NC2=O)c1 ZINC000022607396 558500839 /nfs/dbraw/zinc/50/08/39/558500839.db2.gz HLILHOUONKJDDA-OAHLLOKOSA-N 1 0 410.434 2.364 40 0 HEABRO O=C(C1CCCC1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](C1CCOCC1)CC2 ZINC000019014537 558836633 /nfs/dbraw/zinc/83/66/33/558836633.db2.gz CNNGPTSYAZAVGW-IBGZPJMESA-N 1 0 400.523 2.161 40 0 HEABRO Cn1nccc1C[N@@H+]1CCC[C@@H](c2nc(N3CCOCC3)ncc2-c2ccncc2)C1 ZINC000019289231 558862073 /nfs/dbraw/zinc/86/20/73/558862073.db2.gz ALYHRFNVUDBJKY-LJQANCHMSA-N 1 0 419.533 2.488 40 0 HEABRO CCS(=O)(=O)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)C[N@H+](Cc2cccs2)CC3)C1 ZINC000019520311 558901211 /nfs/dbraw/zinc/90/12/11/558901211.db2.gz FYWFIXMTHBBLIW-CQSZACIVSA-N 1 0 422.576 2.331 40 0 HEABRO COc1cc(C[N@@H+]2CCc3nc(-c4cccnc4)[nH]c(=O)c3CC2)cc(OC)c1OC ZINC000019549892 558914597 /nfs/dbraw/zinc/91/45/97/558914597.db2.gz QJONMBVJIOLPRL-UHFFFAOYSA-N 1 0 422.485 2.459 40 0 HEABRO C[N@@H+]1C[C@@H](C(=O)Nc2ccc(F)cc2)C[C@@H]1C1CCN(C(=O)c2cnccn2)CC1 ZINC000019587623 558939861 /nfs/dbraw/zinc/93/98/61/558939861.db2.gz FSKVRIBFKQRMMP-OXJNMPFZSA-N 1 0 411.481 2.427 40 0 HEABRO CC(=O)N[C@@H]1Cc2ccc(S(=O)(=O)NCCC3CC[NH+](C(C)C)CC3)cc2C1 ZINC000072345773 558942309 /nfs/dbraw/zinc/94/23/09/558942309.db2.gz OXCTXXUGZFBRFM-HXUWFJFHSA-N 1 0 407.580 2.079 40 0 HEABRO COCCOc1cccc(C[N@@H+]2CCc3nc(-c4ccncc4)[nH]c(=O)c3CC2)c1 ZINC000019593809 558944903 /nfs/dbraw/zinc/94/49/03/558944903.db2.gz XGXNXSJKZRIFKJ-UHFFFAOYSA-N 1 0 406.486 2.458 40 0 HEABRO COCCN1C[C@H](c2cc(N(C)C)nc(C3CC[NH+](CC4CC4)CC3)n2)CC1=O ZINC000019697402 558965042 /nfs/dbraw/zinc/96/50/42/558965042.db2.gz SZCAVPAVABATNR-GOSISDBHSA-N 1 0 401.555 2.094 40 0 HEABRO CC(C)[NH+]1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)C3CCCCC3)C1)C2=O ZINC000019699842 558966755 /nfs/dbraw/zinc/96/67/55/558966755.db2.gz IKEXUYGDBBLLMI-GOSISDBHSA-N 1 0 404.555 2.353 40 0 HEABRO CNc1nc([C@H]2CCC[N@H+](C)C2)nc2c1CCN(S(=O)(=O)c1ccccc1)C2 ZINC000019708713 558971010 /nfs/dbraw/zinc/97/10/10/558971010.db2.gz ACEMXKJWBCQOJY-HNNXBMFYSA-N 1 0 401.536 2.075 40 0 HEABRO CN(C)c1cc([C@@H]2CCC[NH2+]C2)nc(CN(C)C(=O)c2ccc3c(c2)OCCO3)n1 ZINC000019710099 558971823 /nfs/dbraw/zinc/97/18/23/558971823.db2.gz QOXVVQSBXPPRJS-MRXNPFEDSA-N 1 0 411.506 2.053 40 0 HEABRO CC(=O)N1CCc2nc([C@H]3CCC[N@@H+](C)C3)nc(NCc3ccc(CO)cc3)c2C1 ZINC000019711301 558973345 /nfs/dbraw/zinc/97/33/45/558973345.db2.gz SULAUURQAKKGDD-IBGZPJMESA-N 1 0 409.534 2.295 40 0 HEABRO CC(C)Oc1ccc(C[NH+]2CCC3(CC2)NC(=O)N(C)C3=O)cc1Cn1cccn1 ZINC000019715778 558977099 /nfs/dbraw/zinc/97/70/99/558977099.db2.gz MCJJDUZXLCYCSP-UHFFFAOYSA-N 1 0 411.506 2.235 40 0 HEABRO Cc1ccc(OCC(=O)N2CCC3(CO[C@@H](C[NH+]4CCC(O)CC4)C3)CC2)cc1 ZINC000585104020 559025903 /nfs/dbraw/zinc/02/59/03/559025903.db2.gz KNBHEXYXXCFPBH-OAQYLSRUSA-N 1 0 402.535 2.228 40 0 HEABRO COC[C@H]1CC2(C[N@@H+]1Cc1cccnc1)CCN(C(=O)CCc1cncnc1)CC2 ZINC000585103252 559026502 /nfs/dbraw/zinc/02/65/02/559026502.db2.gz AWUKOVWDJZWHEU-OAQYLSRUSA-N 1 0 409.534 2.334 40 0 HEABRO Cc1ccc(OCC(=O)N2CCC3(CO[C@H](C[N@H+]4CC[C@@H](C)[C@H](O)C4)C3)CC2)cc1 ZINC000585104905 559027498 /nfs/dbraw/zinc/02/74/98/559027498.db2.gz WRJMJZWEJXRENH-BAGYTPMASA-N 1 0 416.562 2.474 40 0 HEABRO CC(C)CC[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc(N(C)C)cc2)CC1 ZINC000585106059 559028308 /nfs/dbraw/zinc/02/83/08/559028308.db2.gz INIKIXRGALJWFT-RTWAWAEBSA-N 1 0 412.578 2.451 40 0 HEABRO CC[N@@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CCN(C(=O)c1cnccn1)CC3 ZINC000096036326 559090021 /nfs/dbraw/zinc/09/00/21/559090021.db2.gz AQDJKFCUIYFVLB-WMZHIEFXSA-N 1 0 411.550 2.053 40 0 HEABRO COc1ccc(CNC(=O)[C@@H]2Cn3ccnc3C3(CC[NH+](CC4CC4)CC3)O2)cc1 ZINC000096036725 559090547 /nfs/dbraw/zinc/09/05/47/559090547.db2.gz ISZRNGWROAIQCB-FQEVSTJZSA-N 1 0 410.518 2.308 40 0 HEABRO COCC[N@@H+]1CC2(CCN(C(=O)c3ccc(Cl)cc3)CC2)[C@@]2(CCN(C)C2=O)C1 ZINC000096144027 559096383 /nfs/dbraw/zinc/09/63/83/559096383.db2.gz FUFADQSSROOLAJ-QFIPXVFZSA-N 1 0 419.953 2.373 40 0 HEABRO CN(C)S(=O)(=O)N1CCC2(CC1)C[N@H+](Cc1ccccn1)Cc1ccccc12 ZINC000096242503 559104097 /nfs/dbraw/zinc/10/40/97/559104097.db2.gz GJXLLJKTWILXDR-UHFFFAOYSA-N 1 0 400.548 2.237 40 0 HEABRO CCN1CC[C@]2(C[N@H+](CCOC)CC23CCN(C(=O)c2cccc(C)c2)CC3)C1=O ZINC000096262798 559106786 /nfs/dbraw/zinc/10/67/86/559106786.db2.gz VQRKKERRYJCVJZ-DEOSSOPVSA-N 1 0 413.562 2.418 40 0 HEABRO COCC[NH+]1CCN(c2ccc3ccc(C(=O)N(C)Cc4ccccn4)cn32)CC1 ZINC000096267349 559108118 /nfs/dbraw/zinc/10/81/18/559108118.db2.gz QNMJSKSQDZMVDB-UHFFFAOYSA-N 1 0 407.518 2.375 40 0 HEABRO CN1CCN(C(=O)c2ccc3nnc([C@H]4CC[N@H+](Cc5ccccc5)C4)n3c2)CC1 ZINC000096267515 559108189 /nfs/dbraw/zinc/10/81/89/559108189.db2.gz MYQXGJCJMAXCNO-IBGZPJMESA-N 1 0 404.518 2.106 40 0 HEABRO O=C1CCCN1CCCOc1ccc(C[NH2+]C[C@]2(O)CCN(c3ccccn3)C2)cc1 ZINC000585270553 559116547 /nfs/dbraw/zinc/11/65/47/559116547.db2.gz MJTNYSOTMQLESG-XMMPIXPASA-N 1 0 424.545 2.204 40 0 HEABRO O=C(CCc1ccccc1)N1CC[C@H](O)[C@@](O)(C[NH2+]Cc2cccc(Cl)c2)C1 ZINC000585283106 559120466 /nfs/dbraw/zinc/12/04/66/559120466.db2.gz BSLMWGYFOREOPN-RBBKRZOGSA-N 1 0 402.922 2.387 40 0 HEABRO C[N@H+](CCc1ccccc1)C[C@@]1(O)CCN(C(=O)c2ccc(Cl)cc2)C[C@@H]1O ZINC000585284999 559121489 /nfs/dbraw/zinc/12/14/89/559121489.db2.gz NAFSNKOBHHHXDD-UNMCSNQZSA-N 1 0 402.922 2.452 40 0 HEABRO O=C(Cc1ccccc1)N1CC[C@H](O)[C@@](O)(C[NH+]2CCC(c3ccccc3)CC2)C1 ZINC000585285626 559121710 /nfs/dbraw/zinc/12/17/10/559121710.db2.gz RFMBBNOMSQUHKY-UKILVPOCSA-N 1 0 408.542 2.433 40 0 HEABRO O=C(CCc1ccccc1)N1CC[C@](O)(C[NH2+]CCc2ccccc2Cl)[C@@H](O)C1 ZINC000585289869 559122523 /nfs/dbraw/zinc/12/25/23/559122523.db2.gz LQOUJDDJKXEBHQ-GMAHTHKFSA-N 1 0 416.949 2.429 40 0 HEABRO CCCN(CCC)S(=O)(=O)c1cncc(Br)c1N1CC[NH2+]CC1 ZINC000072210858 559168107 /nfs/dbraw/zinc/16/81/07/559168107.db2.gz AKSTXIOASIVVSN-UHFFFAOYSA-N 1 0 405.362 2.064 40 0 HEABRO O=C(NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H]([NH+]2CCOCC2)CC1)c1ccncc1 ZINC000257209329 559282588 /nfs/dbraw/zinc/28/25/88/559282588.db2.gz BPYUPIVCBXSJFQ-CQOQZXRMSA-N 1 0 409.530 2.385 40 0 HEABRO O[C@H]1C[N@H+](Cc2ccc(OCCn3cccn3)cc2)C[C@@H]1N1CCC(F)(F)CC1 ZINC000257320613 559282972 /nfs/dbraw/zinc/28/29/72/559282972.db2.gz VXOPPRHTYANQLK-PMACEKPBSA-N 1 0 406.477 2.238 40 0 HEABRO CN1c2ccccc2[C@]2(C1=O)c1c(oc3ccccc3c1=O)C(=O)N2CCC[NH+](C)C ZINC000033896911 559289455 /nfs/dbraw/zinc/28/94/55/559289455.db2.gz FWMURFMWNBJXJT-XMMPIXPASA-N 1 0 417.465 2.421 40 0 HEABRO COCCCNC(=S)N(CC[NH+](C)C)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000004133506 560600512 /nfs/dbraw/zinc/60/05/12/560600512.db2.gz SKIINKNRCCLDKP-UHFFFAOYSA-N 1 0 404.580 2.420 40 0 HEABRO COc1ccc(S(=O)(=O)NCCC[NH+]2CCCCC2)cc1C(=O)N1CCCCC1 ZINC000010279365 560766483 /nfs/dbraw/zinc/76/64/83/560766483.db2.gz YXMMXIIQMYKDQE-UHFFFAOYSA-N 1 0 423.579 2.476 40 0 HEABRO COc1ccc(C)cc1N(CC(=O)NCCC[NH+]1CCC(C)CC1)S(C)(=O)=O ZINC000010540577 560769837 /nfs/dbraw/zinc/76/98/37/560769837.db2.gz VUMBWESYPXRKHM-UHFFFAOYSA-N 1 0 411.568 2.008 40 0 HEABRO C[NH+]1CCC(NC(=O)CN(c2ccccc2F)S(=O)(=O)c2cccs2)CC1 ZINC000219142800 568487188 /nfs/dbraw/zinc/48/71/88/568487188.db2.gz UYDNMXBBMPMIOV-UHFFFAOYSA-N 1 0 411.524 2.293 40 0 HEABRO OC[C@H]1[C@H](O)C[C@@H]([NH2+]Cc2ccccc2F)[C@@H]1Cc1ccnc(-c2cccnc2)n1 ZINC000604382664 568489550 /nfs/dbraw/zinc/48/95/50/568489550.db2.gz XZEXRNCHZFRMLV-UGESXGAOSA-N 1 0 408.477 2.368 40 0 biogenic,in-vitro HEABRO CNC(=O)[C@H]1CN(C(=O)c2ccccc2C[NH+]2CCCC2)CCN1Cc1ccccc1 ZINC000257206408 568777857 /nfs/dbraw/zinc/77/78/57/568777857.db2.gz BDGNHKRPEAXDAR-HSZRJFAPSA-N 1 0 420.557 2.355 40 0 HEABRO Cc1nccc(C(=O)NC[C@]2(c3ccccc3)CC[C@H](O)[C@@H]([NH+]3CCOCC3)CC2)n1 ZINC000257249129 568790192 /nfs/dbraw/zinc/79/01/92/568790192.db2.gz JGXSLHYRRRUQFF-WPFOTENUSA-N 1 0 424.545 2.089 40 0 HEABRO C[N@H+](Cc1ccccc1)[C@@H]1[C@@H](O)[C@H](Oc2cccc(F)c2)C[C@H]1NC(=O)c1ccn[nH]1 ZINC000257338880 568815551 /nfs/dbraw/zinc/81/55/51/568815551.db2.gz YZGQBPIWCHPDSW-CZYKHXBRSA-N 1 0 424.476 2.360 40 0 HEABRO Cn1ccc(C(=O)N2Cc3sc(N4CCN(C)CC4)nc3-c3ccccc3C2)n1 ZINC000306124276 568887289 /nfs/dbraw/zinc/88/72/89/568887289.db2.gz BLLMSYFZBGFQAO-UHFFFAOYSA-N 1 0 408.531 2.451 40 0 HEABRO CC(C)=CCn1nc2ccn(-c3ccc(C(=O)N(C)CC[NH+](C)C)cc3)nc-2c1=O ZINC000306125369 568888084 /nfs/dbraw/zinc/88/80/84/568888084.db2.gz CNUVMRWKFIWROC-UHFFFAOYSA-N 1 0 408.506 2.134 40 0 HEABRO O=c1c(=O)n(Cc2ccc(F)cc2)nc2n1C[C@]1(CC[N@H+](Cc3cccs3)C1)C2 ZINC000306125484 568888308 /nfs/dbraw/zinc/88/83/08/568888308.db2.gz CSGUAHRZBAGESA-OAQYLSRUSA-N 1 0 412.490 2.102 40 0 HEABRO O=c1c(=O)n(Cc2ccc(F)cc2)nc2n1C[C@@]1(CC[N@H+](Cc3cccs3)C1)C2 ZINC000306125483 568888362 /nfs/dbraw/zinc/88/83/62/568888362.db2.gz CSGUAHRZBAGESA-NRFANRHFSA-N 1 0 412.490 2.102 40 0 HEABRO COCCN1CC[C@@]2(C[N@H+](Cc3nccs3)C[C@@H]2c2cn(C(C)C)cn2)C1=O ZINC000306128330 568891243 /nfs/dbraw/zinc/89/12/43/568891243.db2.gz GXJPQWJAFYEERE-UZLBHIALSA-N 1 0 403.552 2.385 40 0 HEABRO COc1ncccc1C[N@H+]1C[C@H]2Cc3nnc(C(=O)Nc4ccccc4)n3C[C@@H]2C1 ZINC000306134896 568896660 /nfs/dbraw/zinc/89/66/60/568896660.db2.gz OAXNZVPTDXQVMK-SJORKVTESA-N 1 0 404.474 2.238 40 0 HEABRO CCn1cc(C[N@H+]2C[C@@H]3Cc4nnc(C(=O)Nc5cccc(F)c5)n4C[C@H]3C2)cn1 ZINC000306138375 568900369 /nfs/dbraw/zinc/90/03/69/568900369.db2.gz RWBDCQSKOVOPAW-JKSUJKDBSA-N 1 0 409.469 2.190 40 0 HEABRO CCOC(=O)[C@]1(C[NH3+])[C@@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218167348 568926940 /nfs/dbraw/zinc/92/69/40/568926940.db2.gz VZNMCNOMUINIOL-IRFCIJBXSA-N 1 0 417.483 2.172 40 0 HEABRO Cc1ccc(NC(=O)N2CCN(c3cc(N4CCOCC4)cn[nH+]3)CC2)cc1F ZINC000224323602 569057358 /nfs/dbraw/zinc/05/73/58/569057358.db2.gz RQBZUNULXDPTAC-UHFFFAOYSA-N 1 0 400.458 2.115 40 0 HEABRO O=C(Nc1ccc(F)c(Cl)c1)N1CCN(c2cn[nH+]c(N3CCOCC3)c2)CC1 ZINC000224331930 569058547 /nfs/dbraw/zinc/05/85/47/569058547.db2.gz BWMASTCPPCNRHI-UHFFFAOYSA-N 1 0 420.876 2.460 40 0 HEABRO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)[C@H]1CC[C@H](Cn2cnnn2)CC1 ZINC000524732090 569291571 /nfs/dbraw/zinc/29/15/71/569291571.db2.gz WSHZHCSWFTULAL-XSDIEEQYSA-N 1 0 418.586 2.219 40 0 HEABRO CS(=O)(=O)N(CC(=O)NCCC[NH+]1CCCCCC1)c1ccc(F)c(F)c1 ZINC000010111259 569342842 /nfs/dbraw/zinc/34/28/42/569342842.db2.gz DRXHMISCGACQND-UHFFFAOYSA-N 1 0 403.495 2.113 40 0 HEABRO C[NH+](C)CCCNC(=O)c1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000010328823 569343775 /nfs/dbraw/zinc/34/37/75/569343775.db2.gz MWDQROSMDIAYPN-UHFFFAOYSA-N 1 0 407.511 2.473 40 0 HEABRO CC(C)C(=O)N1CCC[C@@H](N2C(=O)NC3(CC[NH+](Cc4ccccc4)CC3)C2=O)C1 ZINC000019699395 569346952 /nfs/dbraw/zinc/34/69/52/569346952.db2.gz KAXBTIDAWMZAIO-LJQANCHMSA-N 1 0 412.534 2.220 40 0 HEABRO CC(C)C(=O)N1CCC(N2C(=O)NC3(CC[NH+](Cc4ccccc4)CC3)C2=O)CC1 ZINC000019699451 569346980 /nfs/dbraw/zinc/34/69/80/569346980.db2.gz IOXNCOSWDQPEKQ-UHFFFAOYSA-N 1 0 412.534 2.220 40 0 HEABRO CC(C)C[NH+]1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)c3ccccc3)C1)C2=O ZINC000019699794 569347031 /nfs/dbraw/zinc/34/70/31/569347031.db2.gz ULNHLZWXZMGTDT-LJQANCHMSA-N 1 0 412.534 2.334 40 0 HEABRO CC[NH+]1CCC2(CC1)NC(=O)N(C1CCN(C(=O)CCC3CCCC3)CC1)C2=O ZINC000019699554 569347049 /nfs/dbraw/zinc/34/70/49/569347049.db2.gz QNHWEEYRKCWLIK-UHFFFAOYSA-N 1 0 404.555 2.354 40 0 HEABRO CCC(CC)C(=O)N1CCC[C@H](N2C(=O)NC3(CC[NH+](CC(C)C)CC3)C2=O)C1 ZINC000019699723 569347069 /nfs/dbraw/zinc/34/70/69/569347069.db2.gz VRURCDRRHMUZRC-SFHVURJKSA-N 1 0 406.571 2.456 40 0 HEABRO COCCNc1ncccc1-c1noc([C@@H]2CCC[N@@H+]2C2CCN(C(C)=O)CC2)n1 ZINC000035424848 291206488 /nfs/dbraw/zinc/20/64/88/291206488.db2.gz QUKRMCKZNZEONP-SFHVURJKSA-N 1 0 414.510 2.338 40 0 biogenic,in-vitro HEABRO COc1ccc(C[NH+]2CCC(O)(c3csc(CN4CCOCC4)n3)CC2)cc1 ZINC000225467620 291208257 /nfs/dbraw/zinc/20/82/57/291208257.db2.gz BZYMLNMUFZXDIY-UHFFFAOYSA-N 1 0 403.548 2.468 40 0 biogenic,in-vitro HEABRO O=C(Nc1cccc(C(F)(F)F)c1)N[C@@H]1[C@H]2CO[C@H](O2)[C@H]([NH+]2CCCCC2)[C@H]1O ZINC000012529627 291212588 /nfs/dbraw/zinc/21/25/88/291212588.db2.gz ALBXZCZLFKTYMJ-OVYGPGRDSA-N 1 0 415.412 2.166 40 0 biogenic,in-vitro HEABRO CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@H]1c1ccc(O)c(OC)c1 ZINC000019818155 558288448 /nfs/dbraw/zinc/28/84/48/558288448.db2.gz FUBZXRVJNCWFDC-UXHICEINSA-N 1 0 423.469 2.165 40 0 HEABRO C[NH+]1CCC(NC(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)CC1 ZINC000023421610 558557948 /nfs/dbraw/zinc/55/79/48/558557948.db2.gz XBIHYIYEIYEUAR-UHFFFAOYSA-N 1 0 415.559 2.451 40 0 HEABRO CS(=O)(=O)N(CC(=O)NCCC[NH+]1CCCC1)c1ccc(Cl)cc1Cl ZINC000013669494 558561143 /nfs/dbraw/zinc/56/11/43/558561143.db2.gz PDFGGZPFOGCVPM-UHFFFAOYSA-N 1 0 408.351 2.362 40 0 HEABRO C[NH+](C)CCCNC(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O ZINC000013675168 558563961 /nfs/dbraw/zinc/56/39/61/558563961.db2.gz MGQVMUPUJYAUBV-UHFFFAOYSA-N 1 0 416.758 2.481 40 0 HEABRO O=C(NCC[NH+]1CCCCC1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000013688567 558571172 /nfs/dbraw/zinc/57/11/72/558571172.db2.gz XMLSSAHNQZVQPU-UHFFFAOYSA-N 1 0 413.971 2.343 40 0 HEABRO COc1cc(C[N@@H+]2CCC[C@H](c3cc(N)n4nc(C)cc4n3)C2)ccc1OCCO ZINC000019129270 558845183 /nfs/dbraw/zinc/84/51/83/558845183.db2.gz GKAFVEYSKJHPSI-KRWDZBQOSA-N 1 0 411.506 2.379 40 0 HEABRO C[C@@H]1CCC[N@H+](CC(C)(C)NC(=O)c2cc(C3CC3)n([C@@H]3CCS(=O)(=O)C3)n2)C1 ZINC000019496538 558895537 /nfs/dbraw/zinc/89/55/37/558895537.db2.gz SICLQQZOPMUEEB-NVXWUHKLSA-N 1 0 422.595 2.360 40 0 HEABRO COc1ccc2c(c1)c(CN1CC[NH+](CCOc3ccccc3)CC1)cn2CC(N)=O ZINC000019563253 558923421 /nfs/dbraw/zinc/92/34/21/558923421.db2.gz OSLSZVMHRRBDDR-UHFFFAOYSA-N 1 0 422.529 2.332 40 0 HEABRO COc1ccc2c(c1)O[C@]1(C[C@H]3CC[C@@H]1C[C@@H]3C(=O)NCCC[NH+](C)C)NC2=O ZINC000072339224 558938666 /nfs/dbraw/zinc/93/86/66/558938666.db2.gz JOTYETFAAWLRLI-CABRAYNUSA-N 1 0 401.507 2.018 40 0 HEABRO Cc1cc(C(=O)NCCNc2cc(C)[nH+]c3ccccc23)nc(N2CCOCC2)n1 ZINC000019660348 558951650 /nfs/dbraw/zinc/95/16/50/558951650.db2.gz DFCQEJYZMOFVBA-UHFFFAOYSA-N 1 0 406.490 2.320 40 0 HEABRO CNC(=O)c1cnc(C)nc1CCNC(=O)[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000019697296 558964849 /nfs/dbraw/zinc/96/48/49/558964849.db2.gz OAIAZZRIGYGRME-OAQYLSRUSA-N 1 0 409.534 2.277 40 0 HEABRO CNc1nc([C@@H]2CCC[N@H+](C)C2)nc2c1CCN(S(=O)(=O)c1ccc(F)cc1)C2 ZINC000019708716 558971028 /nfs/dbraw/zinc/97/10/28/558971028.db2.gz FMAMXNFFTAOXJI-CQSZACIVSA-N 1 0 419.526 2.214 40 0 HEABRO CN(C)c1cc([C@H]2CCC[NH2+]C2)nc(CN(C)CC(=O)Nc2ccccc2F)n1 ZINC000019709985 558971892 /nfs/dbraw/zinc/97/18/92/558971892.db2.gz SRXZBXPCDWSLNN-HNNXBMFYSA-N 1 0 400.502 2.219 40 0 HEABRO CNc1nc([C@@H]2CCC[N@H+](C)C2)nc2c1CN(S(=O)(=O)c1ccccc1)CC2 ZINC000019710299 558972076 /nfs/dbraw/zinc/97/20/76/558972076.db2.gz YLFNODMAJUUHKF-OAHLLOKOSA-N 1 0 401.536 2.075 40 0 HEABRO CCN1C(=O)c2ccccc2C(=O)[C@@]2(C)CN(C(=O)[C@@H]([NH3+])Cc3ccccc3)C[C@@H]12 ZINC000072395498 558974298 /nfs/dbraw/zinc/97/42/98/558974298.db2.gz WLDWUZRZHWYURE-ROKPMTFOSA-N 1 0 405.498 2.132 40 0 HEABRO CC(C)C[N@@H+]1CC2(CCN(C(=O)Cc3ccc(F)cn3)CC2)[C@@]2(CCN(C)C2=O)C1 ZINC000585091847 559022954 /nfs/dbraw/zinc/02/29/54/559022954.db2.gz PYMKIMMRKMZKJW-QHCPKHFHSA-N 1 0 416.541 2.192 40 0 HEABRO O=C(CC[NH+]1CCCCC1)NC[C@H]1CCC2(CCN(c3ncccn3)CC2)CO1 ZINC000585101111 559024650 /nfs/dbraw/zinc/02/46/50/559024650.db2.gz DVKLOVFVYQAHLR-LJQANCHMSA-N 1 0 401.555 2.234 40 0 HEABRO Cc1nc(C)c(C[N@H+]2C[C@@H](C(=O)N(C)Cc3ncccn3)C3(C2)CCOCC3)s1 ZINC000585101914 559025042 /nfs/dbraw/zinc/02/50/42/559025042.db2.gz JVIMHPNCYIHQND-KRWDZBQOSA-N 1 0 415.563 2.437 40 0 HEABRO C[N@H+](C[C@H]1CC2(CO1)CCN(S(=O)(=O)c1ccccc1)CC2)[C@H]1CC[C@H](O)CC1 ZINC000585105115 559027631 /nfs/dbraw/zinc/02/76/31/559027631.db2.gz YLFMBDDSFLXPSI-VAMGGRTRSA-N 1 0 422.591 2.482 40 0 HEABRO Cc1ccc(C2(C(=O)N3CCC4(CC3)NC(=O)[C@@H]3C[N@H+](CC5CC5)C[C@@H]34)CC2)cc1 ZINC000585106085 559028433 /nfs/dbraw/zinc/02/84/33/559028433.db2.gz KOPTVLGXSBERSC-RTWAWAEBSA-N 1 0 407.558 2.476 40 0 HEABRO COC(=O)[C@@]1(C)C[C@@H]([N@H+](C)Cc2ccccc2)CCN1C(=O)c1cccn(C)c1=O ZINC000585113246 559031126 /nfs/dbraw/zinc/03/11/26/559031126.db2.gz TWLBDFAUOIGKCB-FDDCHVKYSA-N 1 0 411.502 2.054 40 0 HEABRO CC(C)N1CC[N@H+](CC2CC2)C[C@@H]1c1nnc2ccc(C(=O)NCC(F)(F)F)cn21 ZINC000096156795 559100711 /nfs/dbraw/zinc/10/07/11/559100711.db2.gz BQRFRKXZVDAMJE-MRXNPFEDSA-N 1 0 424.471 2.499 40 0 HEABRO CC(C)c1ccc(S(=O)(=O)N2CCC3(C[C@@H]([NH+]4CCN(C)CC4)CO3)CC2)cc1 ZINC000096220844 559102049 /nfs/dbraw/zinc/10/20/49/559102049.db2.gz LRSJEZCPBLQORY-HXUWFJFHSA-N 1 0 421.607 2.370 40 0 HEABRO COc1ccc(C[NH+]2CCC3(CC2)O[C@H](C(=O)NCC2CC2)Cn2ccnc23)cc1 ZINC000096243594 559104767 /nfs/dbraw/zinc/10/47/67/559104767.db2.gz LRNQMRCGBPBDLS-FQEVSTJZSA-N 1 0 410.518 2.308 40 0 HEABRO C[N@H+](Cc1ccccc1)[C@@H]1[C@@H](O)[C@H](Oc2cccc(F)c2)C[C@H]1NC(=O)c1cn[nH]c1 ZINC000585262438 559111056 /nfs/dbraw/zinc/11/10/56/559111056.db2.gz JLDAJGDBTPIHCQ-CZYKHXBRSA-N 1 0 424.476 2.360 40 0 HEABRO O=C1CCCN1CCCOc1ccc(C[NH2+]C[C@@]2(O)CCN(c3ccccn3)C2)cc1 ZINC000585270544 559116529 /nfs/dbraw/zinc/11/65/29/559116529.db2.gz MJTNYSOTMQLESG-DEOSSOPVSA-N 1 0 424.545 2.204 40 0 HEABRO Cc1ccc(C[NH2+]C[C@@]2(O)CCN(C(=O)Cc3ccc(Cl)cc3)C[C@@H]2O)cc1 ZINC000585283207 559120461 /nfs/dbraw/zinc/12/04/61/559120461.db2.gz DDRQYXIHPKSLLG-UNMCSNQZSA-N 1 0 402.922 2.305 40 0 HEABRO O=C(CCc1ccccc1)N1CC[C@](O)(C[NH2+]CCc2ccc(Cl)cc2)[C@@H](O)C1 ZINC000585285266 559121568 /nfs/dbraw/zinc/12/15/68/559121568.db2.gz QEDYQAGLJCFFGI-GMAHTHKFSA-N 1 0 416.949 2.429 40 0 HEABRO CCOc1ccc(C[NH2+]C[C@]2(O)CN(C(=O)CCc3ccccc3)CC[C@H]2O)cc1 ZINC000585285845 559121753 /nfs/dbraw/zinc/12/17/53/559121753.db2.gz NDHKIDCGHBJQDM-VWNXMTODSA-N 1 0 412.530 2.132 40 0 HEABRO O=C(Cc1ccccc1)N1CC[C@@H](O)[C@](O)(C[NH2+]CCc2ccccc2Cl)C1 ZINC000585286936 559122157 /nfs/dbraw/zinc/12/21/57/559122157.db2.gz YCJQATHNSZKPKH-IRLDBZIGSA-N 1 0 402.922 2.039 40 0 HEABRO Cc1cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)ccc1NS(C)(=O)=O ZINC000113941945 559182580 /nfs/dbraw/zinc/18/25/80/559182580.db2.gz YRXDGWAUTQOLBU-UHFFFAOYSA-N 1 0 402.520 2.371 40 0 HEABRO C[N@@H+](Cc1ccc(OCC(=O)N2CCOCC2)cc1)C[C@@H](O)COC1CCCCC1 ZINC000257282940 559285368 /nfs/dbraw/zinc/28/53/68/559285368.db2.gz OVZKADQWVIXECO-HXUWFJFHSA-N 1 0 420.550 2.066 40 0 HEABRO C[NH+](C)CCCn1c(SCC(=O)Nc2nccs2)nnc1-c1ccncc1 ZINC000004130377 560599605 /nfs/dbraw/zinc/59/96/05/560599605.db2.gz PGTCWYWMIWDJIR-UHFFFAOYSA-N 1 0 403.537 2.479 40 0 HEABRO Cc1cc2cc(CN(CCCO)C(=S)NCCC[NH+](C)C)c(=O)[nH]c2cc1C ZINC000004132981 560600198 /nfs/dbraw/zinc/60/01/98/560600198.db2.gz UDXNMJHHMDRPNM-UHFFFAOYSA-N 1 0 404.580 2.156 40 0 HEABRO CCn1c(SCC[NH+]2CCCC2)nnc1[C@H]1CCCN(C(=O)[C@@H]2CCCO2)C1 ZINC000005001526 560620105 /nfs/dbraw/zinc/62/01/05/560620105.db2.gz HYOXXMHTZLVUQO-IRXDYDNUSA-N 1 0 407.584 2.371 40 0 HEABRO CCCCCC[NH+]1CC2(C1)CN(C(=O)c1ccc(OC)cc1)C[C@@H]1COCCN12 ZINC000604381956 568489233 /nfs/dbraw/zinc/48/92/33/568489233.db2.gz WPNKGZGJXHGHRD-HXUWFJFHSA-N 1 0 401.551 2.487 40 0 biogenic,in-vitro HEABRO CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCC[NH+]1CCCCC1 ZINC000223427988 568548838 /nfs/dbraw/zinc/54/88/38/568548838.db2.gz SGDAJSHSOZQQEN-IBGZPJMESA-N 1 0 411.568 2.232 40 0 HEABRO O=C(NCCC[NH+]1CCCCCC1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000225506961 568644418 /nfs/dbraw/zinc/64/44/18/568644418.db2.gz MANCNLBDQLIFIE-LJQANCHMSA-N 1 0 407.580 2.470 40 0 HEABRO COCCNC(=O)c1sc2nccnc2c1[C@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000257234928 568786046 /nfs/dbraw/zinc/78/60/46/568786046.db2.gz GVQNZYNGLUTMKZ-AWEZNQCLSA-N 1 0 404.536 2.426 40 0 HEABRO CNC(=O)c1sc2nc([C@@]3(C)CCCN(C(=O)C[NH+]4CCCC4)C3)ccc2c1N ZINC000257258325 568792503 /nfs/dbraw/zinc/79/25/03/568792503.db2.gz KTIJSOAPMJAKSH-NRFANRHFSA-N 1 0 415.563 2.214 40 0 HEABRO CN(CC1(O)CCN(c2ccnc3ccncc32)CC1)C(=O)c1cccc(C[NH3+])c1 ZINC000257277936 568798050 /nfs/dbraw/zinc/79/80/50/568798050.db2.gz OACBUFJGIQSMLT-UHFFFAOYSA-N 1 0 405.502 2.192 40 0 HEABRO Cc1cc(N2CC[C@](O)(CNC(=O)c3ccc(C[NH+]4CCCCC4)cc3)C2)ncn1 ZINC000257282724 568799278 /nfs/dbraw/zinc/79/92/78/568799278.db2.gz OUZSDTQWLVCWSH-QHCPKHFHSA-N 1 0 409.534 2.142 40 0 HEABRO NC(=O)[C@@]1(c2ccccn2)CCC[N@H+](CC2(O)CCN(c3cccc(F)c3)CC2)C1 ZINC000257287861 568800775 /nfs/dbraw/zinc/80/07/75/568800775.db2.gz PRTYKLXOOCKKGL-QHCPKHFHSA-N 1 0 412.509 2.071 40 0 HEABRO Cc1cc(N2CC[C@](O)(CN(C)C(=O)c3ccc(C[NH3+])cc3)C2)c2cnccc2n1 ZINC000257289342 568801170 /nfs/dbraw/zinc/80/11/70/568801170.db2.gz PYFKTQLHUBPFCK-QHCPKHFHSA-N 1 0 405.502 2.110 40 0 HEABRO CC(C)(C)OC(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[NH+]1CCC(O)CC1 ZINC000257304873 568805957 /nfs/dbraw/zinc/80/59/57/568805957.db2.gz SNMCDQIWBZNULR-YRXWBPOGSA-N 1 0 410.486 2.056 40 0 HEABRO CN(CC(=O)N1CCCC[C@@H]1CCNC(=O)c1ccccc1)C1CC[NH+](C)CC1 ZINC000257326093 568812215 /nfs/dbraw/zinc/81/22/15/568812215.db2.gz WVTKUIXAHCYOQW-OAQYLSRUSA-N 1 0 400.567 2.214 40 0 HEABRO Cc1cc(N2CCC[C@@](O)(CNC(=O)c3ccc(C[NH+]4CCCC4)cc3)C2)ncn1 ZINC000257343856 568817132 /nfs/dbraw/zinc/81/71/32/568817132.db2.gz ZURHEPGJPQDSNY-HSZRJFAPSA-N 1 0 409.534 2.142 40 0 HEABRO C[NH2+]Cc1cc(N(C)C)nc([C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000019760633 568871219 /nfs/dbraw/zinc/87/12/19/568871219.db2.gz NRXNDXCCFUUUKH-INIZCTEOSA-N 1 0 409.943 2.441 40 0 HEABRO Cc1ncsc1C[NH+]1CCC2(CCc3nnc(C(=O)NCC4CC4)n3C2)CC1 ZINC000306129989 568892311 /nfs/dbraw/zinc/89/23/11/568892311.db2.gz ITHSJLVAWLUXOM-UHFFFAOYSA-N 1 0 400.552 2.411 40 0 HEABRO Cn1cc(C[N@@H+]2C[C@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccsc2)C3=O)cn1 ZINC000306129744 568892313 /nfs/dbraw/zinc/89/23/13/568892313.db2.gz ILNYPYIGQQHAJV-IFMALSPDSA-N 1 0 423.542 2.274 40 0 HEABRO O=c1c(=O)n2c(nn1CC1CCCCC1)CO[C@@]1(CC[N@H+](Cc3ccsc3)C1)C2 ZINC000306132962 568895183 /nfs/dbraw/zinc/89/51/83/568895183.db2.gz LXPDAFYZVZBHSF-OAQYLSRUSA-N 1 0 416.547 2.222 40 0 HEABRO CCn1cc(C[N@@H+]2C[C@@H]3Cn4c(nnc4C(=O)Nc4cccc(F)c4)C[C@@H]3C2)cn1 ZINC000306138374 568900398 /nfs/dbraw/zinc/90/03/98/568900398.db2.gz RWBDCQSKOVOPAW-HZPDHXFCSA-N 1 0 409.469 2.190 40 0 HEABRO O=C1N(Cc2ccncc2)CCO[C@]12C[N@H+](Cc1ccccn1)C[C@H]2c1cccnc1 ZINC000306141369 568903075 /nfs/dbraw/zinc/90/30/75/568903075.db2.gz VTDSFOBHQAYXQL-UPVQGACJSA-N 1 0 415.497 2.269 40 0 HEABRO O=C(NC1CC1)c1nnc2n1CC1(CC2)CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000306141936 568903489 /nfs/dbraw/zinc/90/34/89/568903489.db2.gz WKTJUDWJSXNGLK-UHFFFAOYSA-N 1 0 409.490 2.128 40 0 HEABRO CC[NH+](CC)CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C)cc1C ZINC000575422719 569026254 /nfs/dbraw/zinc/02/62/54/569026254.db2.gz CCLIGGKKEZQZSG-SFHVURJKSA-N 1 0 416.609 2.213 40 0 HEABRO CC(C)C[NH+]1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)C3CCCC3)C1)C2=O ZINC000019699712 569347016 /nfs/dbraw/zinc/34/70/16/569347016.db2.gz MRDIZYMFVKZNPR-SFHVURJKSA-N 1 0 404.555 2.210 40 0 HEABRO CCC[NH+]1CCC2(CC1)NC(=O)N(CC1CCN(C(=O)c3ccccc3)CC1)C2=O ZINC000019700706 569347264 /nfs/dbraw/zinc/34/72/64/569347264.db2.gz ITJAMFBTUQUCRT-UHFFFAOYSA-N 1 0 412.534 2.335 40 0 HEABRO CNc1cc(C2CC[NH2+]CC2)nc(CN(C)S(=O)(=O)c2cc(C)ccc2F)n1 ZINC000019710056 569348125 /nfs/dbraw/zinc/34/81/25/569348125.db2.gz LWKNVFAVGZNSGM-UHFFFAOYSA-N 1 0 407.515 2.254 40 0 HEABRO CC(=O)c1ccc(NC(=O)NC[C@H]2C[C@@H]3CC[N@@H+]2C[C@@H]3CN2CCOCC2)cc1 ZINC000020503806 291203253 /nfs/dbraw/zinc/20/32/53/291203253.db2.gz FRRZHVCEFNDZBO-IRFCIJBXSA-N 1 0 400.523 2.053 40 0 biogenic,in-vitro HEABRO COc1ccc(CN2C[C@@H]3C[N@@H+](C4CCN(C(C)=O)CC4)CCN3C(C)(C)C2)cc1 ZINC000253398956 291208285 /nfs/dbraw/zinc/20/82/85/291208285.db2.gz HVYSMTPEWHBWRO-JOCHJYFZSA-N 1 0 414.594 2.287 40 0 biogenic,in-vitro HEABRO O=C(C[N@@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)N1CCc2[nH]c3ccccc3c2C1 ZINC000002126679 557316202 /nfs/dbraw/zinc/31/62/02/557316202.db2.gz KYJQSBPGHQUQST-SJORKVTESA-N 1 0 402.498 2.334 40 0 HEABRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1cccc(C)c1 ZINC000408710086 557737457 /nfs/dbraw/zinc/73/74/57/557737457.db2.gz OCPWRGAWCHRESO-LJQANCHMSA-N 1 0 422.529 2.464 40 0 HEABRO CCc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCCC[NH+](C)C)cc1 ZINC000408710337 557738070 /nfs/dbraw/zinc/73/80/70/557738070.db2.gz XVRMJBFRKAYEFZ-UHFFFAOYSA-N 1 0 410.518 2.185 40 0 HEABRO CCCCN1C(=O)[C@H]2[C@@H](Cc3ccc(O)cc3)[NH2+][C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O ZINC000008970938 557816846 /nfs/dbraw/zinc/81/68/46/557816846.db2.gz ILADSGPWFWVNAD-KCOOYEKVSA-N 1 0 419.481 2.155 40 0 HEABRO O=c1[nH]c2ccc(Cl)cc2c(N[C@H]2C[NH+]3CCC2CC3)c1-c1nc2ccccc2[nH]1 ZINC000035848899 558261646 /nfs/dbraw/zinc/26/16/46/558261646.db2.gz VBIIUHUSFOLTIU-IBGZPJMESA-N 1 0 419.916 2.041 40 0 in-vitro HEABRO CN(C)c1ncccc1C[N@@H+]1CC[C@@H](c2cc(C(=O)NCCO)c3ccccc3n2)C1 ZINC000019761758 558276876 /nfs/dbraw/zinc/27/68/76/558276876.db2.gz GCDGBTZAGLUWSL-QGZVFWFLSA-N 1 0 419.529 2.407 40 0 HEABRO Cn1nccc1C[N@@H+]1CC[C@H](c2cc(C(=O)N3CCOCC3)c3ccccc3n2)C1 ZINC000019762701 558277218 /nfs/dbraw/zinc/27/72/18/558277218.db2.gz KYUHJSOSAARTNL-KRWDZBQOSA-N 1 0 405.502 2.430 40 0 HEABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1 ZINC000020244485 558350999 /nfs/dbraw/zinc/35/09/99/558350999.db2.gz XJMLUYDLSFERDC-GOSISDBHSA-N 1 0 410.584 2.314 40 0 HEABRO COc1ccccc1C1(O)CC[NH+](Cc2ccc(OCC(N)=O)c(OC)c2)CC1 ZINC000012293002 558366000 /nfs/dbraw/zinc/36/60/00/558366000.db2.gz NKKHPFLKBNLLPL-UHFFFAOYSA-N 1 0 400.475 2.052 40 0 HEABRO COc1ccc(S(=O)(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1N1CCCC1=O ZINC000020495057 558380168 /nfs/dbraw/zinc/38/01/68/558380168.db2.gz CIRHWBXOOKCECU-CALCHBBNSA-N 1 0 423.579 2.468 40 0 HEABRO COc1cccc(N(CC(=O)NCCC[NH+](C)C)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000013649103 558557894 /nfs/dbraw/zinc/55/78/94/558557894.db2.gz NIOPCIJRIWHWNW-UHFFFAOYSA-N 1 0 419.547 2.267 40 0 HEABRO CC[NH+](CC)Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)c2cccnc2N3C)o1 ZINC000036734990 558801481 /nfs/dbraw/zinc/80/14/81/558801481.db2.gz GGMOWFXLVIZHOH-UHFFFAOYSA-N 1 0 411.506 2.329 40 0 HEABRO O=C(C[C@H]1C=CCC1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](C1CCOCC1)CC2 ZINC000019014476 558836553 /nfs/dbraw/zinc/83/65/53/558836553.db2.gz PJHRBTUYFGMKHG-OXJNMPFZSA-N 1 0 412.534 2.327 40 0 HEABRO O=C([C@@H]1CCOC1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@H+](CC1CCCCC1)CC2 ZINC000019014807 558836906 /nfs/dbraw/zinc/83/69/06/558836906.db2.gz BEXGEKOKCRXIII-YLJYHZDGSA-N 1 0 414.550 2.408 40 0 HEABRO O=C([C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1ccnc(N2CCCC2)n1)N1CCOCC1 ZINC000019372454 558879802 /nfs/dbraw/zinc/87/98/02/558879802.db2.gz FNIQQVGYQDAQFA-SFTDATJTSA-N 1 0 421.545 2.151 40 0 HEABRO CN(c1ccccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1)S(C)(=O)=O ZINC000055416790 558881282 /nfs/dbraw/zinc/88/12/82/558881282.db2.gz JCTCKUZOQXOCNN-UHFFFAOYSA-N 1 0 402.520 2.087 40 0 HEABRO CCCC(=O)N1CCc2nc([C@H]3CCC[N@H+](Cc4cnn(CC)c4)C3)[nH]c(=O)c2C1 ZINC000019501603 558899625 /nfs/dbraw/zinc/89/96/25/558899625.db2.gz FOBIOOBIKIRSPW-KRWDZBQOSA-N 1 0 412.538 2.051 40 0 HEABRO CCOc1ncc(C2(O)[C@@H]3CCC[C@H]2C[N@@H+](Cc2cnc(C)nc2)C3)c(OCC)n1 ZINC000019531665 558912140 /nfs/dbraw/zinc/91/21/40/558912140.db2.gz LQKQYZVVEYUZOT-VSOVRNOCSA-N 1 0 413.522 2.492 40 0 HEABRO COc1ccc(OCCN2CC[NH+](Cc3cn(CC(N)=O)c4ccccc34)CC2)cc1 ZINC000019556865 558919278 /nfs/dbraw/zinc/91/92/78/558919278.db2.gz JNBFQSZYTFQELW-UHFFFAOYSA-N 1 0 422.529 2.332 40 0 HEABRO Cc1c(C(=O)N(C[C@@H]2CCCO2)C2CC[NH+](C)CC2)nnn1-c1ccccc1F ZINC000019557776 558919817 /nfs/dbraw/zinc/91/98/17/558919817.db2.gz WNBPSNUSCAOPFU-KRWDZBQOSA-N 1 0 401.486 2.430 40 0 HEABRO Cc1c(C[N@@H+]2[C@@H]3CC[C@@H](C3)[C@H]2c2nc(-c3ccccc3)no2)c(=O)n(C)c(=O)n1C ZINC000019577081 558932966 /nfs/dbraw/zinc/93/29/66/558932966.db2.gz RMFSXZKJZRHDES-JZXOWHBKSA-N 1 0 407.474 2.168 40 0 HEABRO C[NH+]1CCC(N(C[C@@H]2CCCO2)S(=O)(=O)c2ccc3oc(=O)ccc3c2)CC1 ZINC000019588121 558940054 /nfs/dbraw/zinc/94/00/54/558940054.db2.gz CZZQMHMYAIKYKW-KRWDZBQOSA-N 1 0 406.504 2.057 40 0 HEABRO Cc1cc(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+](C)C)nc(N2CCOCC2)n1 ZINC000019660376 558951599 /nfs/dbraw/zinc/95/15/99/558951599.db2.gz BKVDZGTYBVUMBA-GOSISDBHSA-N 1 0 403.914 2.308 40 0 HEABRO CC(C)(C[NH+]1CCCCC1)NC(=O)c1cc(C2CC2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000019661882 558952860 /nfs/dbraw/zinc/95/28/60/558952860.db2.gz YEKNQJCUGQVOBA-INIZCTEOSA-N 1 0 408.568 2.114 40 0 HEABRO CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@@H]2CCCN2C(=O)C[NH+]2CCCC2)n1 ZINC000019689375 558958820 /nfs/dbraw/zinc/95/88/20/558958820.db2.gz UYVIDCWJCCVMBH-IBGZPJMESA-N 1 0 422.533 2.068 40 0 HEABRO CNc1nc([C@H]2CCC[N@H+](C)C2)nc2c1CCN(S(=O)(=O)c1ccc(F)cc1)C2 ZINC000019708717 558971211 /nfs/dbraw/zinc/97/12/11/558971211.db2.gz FMAMXNFFTAOXJI-AWEZNQCLSA-N 1 0 419.526 2.214 40 0 HEABRO CNc1nc([C@H]2CCC[N@H+](C)C2)nc2c1CN(C(=O)COc1ccc(F)cc1)CC2 ZINC000019710312 558972197 /nfs/dbraw/zinc/97/21/97/558972197.db2.gz RWOYWRVICKNUKY-HNNXBMFYSA-N 1 0 413.497 2.430 40 0 HEABRO C[NH+](C)C1(CNC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)CCCC1 ZINC000019714621 558974861 /nfs/dbraw/zinc/97/48/61/558974861.db2.gz IBZJQKXZPVWLTG-SFHVURJKSA-N 1 0 411.543 2.360 40 0 HEABRO COC(=O)[C@]1(C)C[C@H]([N@H+](C)Cc2ccccc2)CCN1C(=O)c1cccn(C)c1=O ZINC000585113247 559031236 /nfs/dbraw/zinc/03/12/36/559031236.db2.gz TWLBDFAUOIGKCB-JPYJTQIMSA-N 1 0 411.502 2.054 40 0 HEABRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(C(=O)c3ccnnc3)CC2)c2ccccc21 ZINC000096052896 559092663 /nfs/dbraw/zinc/09/26/63/559092663.db2.gz LDMYAQZOTOVPPT-IBGZPJMESA-N 1 0 421.545 2.206 40 0 HEABRO CC[C@@H](CO)NC(=O)c1cnc(-c2noc3cc(N4CC[NH+](C)CC4)ccc32)s1 ZINC000096154615 559098989 /nfs/dbraw/zinc/09/89/89/559098989.db2.gz QMWNSMCFPRDFTO-ZDUSSCGKSA-N 1 0 415.519 2.204 40 0 HEABRO CCN1CC[C@]2(C[N@H+](CC(C)C)CC23CCN(C(=O)c2cc(C)on2)CC3)C1=O ZINC000096262760 559106779 /nfs/dbraw/zinc/10/67/79/559106779.db2.gz XMSNRIIPDBERCN-QFIPXVFZSA-N 1 0 402.539 2.416 40 0 HEABRO O=C(CCc1ccccc1)N1CC[C@](O)(C[NH2+]Cc2cc(F)cc(F)c2)[C@@H](O)C1 ZINC000585283144 559120506 /nfs/dbraw/zinc/12/05/06/559120506.db2.gz CLRUVBXEXRYDLI-UNMCSNQZSA-N 1 0 404.457 2.012 40 0 HEABRO COc1cccc(C[NH2+]C[C@@]2(O)CCN(C(=O)c3ccc(Cl)cc3)C[C@@H]2O)c1 ZINC000585285067 559121483 /nfs/dbraw/zinc/12/14/83/559121483.db2.gz NSWJNZBIERJDLI-FPOVZHCZSA-N 1 0 404.894 2.076 40 0 HEABRO O=C(Cc1ccccc1)N1CC[C@](O)(C[NH+]2CCC(c3ccccc3)CC2)[C@@H](O)C1 ZINC000585285750 559121676 /nfs/dbraw/zinc/12/16/76/559121676.db2.gz SKTYIYLSASIYEU-ZCYQVOJMSA-N 1 0 408.542 2.433 40 0 HEABRO CS(=O)(=O)N1CCCC[C@H]2C[N@@H+]([C@H]3CCC[C@@H](Oc4ccccc4)[C@@H]3O)CC[C@H]21 ZINC000585288994 559122431 /nfs/dbraw/zinc/12/24/31/559122431.db2.gz MCJXGPCCVIQBGG-AOIWZFSPSA-N 1 0 422.591 2.483 40 0 HEABRO CCOc1ccc(C[NH2+]C[C@]2(O)CN(C(=O)Cc3ccc(Cl)cc3)C[C@H]2O)cc1 ZINC000585292146 559124669 /nfs/dbraw/zinc/12/46/69/559124669.db2.gz XDFSKZTWTKFTSD-IRLDBZIGSA-N 1 0 418.921 2.005 40 0 HEABRO C[C@H]1C[N@@H+]2C[C@H](O)C[C@@H]2CN1Cc1cc2cc3c4c(c2oc1=O)CCCN4CCC3 ZINC000100109728 559129875 /nfs/dbraw/zinc/12/98/75/559129875.db2.gz IVKIWNTUSNLPBN-CWFSZBLJSA-N 1 0 409.530 2.131 40 0 HEABRO C[NH+]1CCC(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3Cl)CC2)CC1 ZINC000113949202 559182761 /nfs/dbraw/zinc/18/27/61/559182761.db2.gz HQRXBEXDPPNGGO-UHFFFAOYSA-N 1 0 413.971 2.092 40 0 HEABRO O=C(NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCOCC2)CC1)c1cccnc1 ZINC000257237846 559284061 /nfs/dbraw/zinc/28/40/61/559284061.db2.gz HILWGXGRZPCAPA-WPFOTENUSA-N 1 0 409.530 2.385 40 0 HEABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCC[NH+](C)C)c2ccc(C)c(C)c2)cc1 ZINC000010111538 560763822 /nfs/dbraw/zinc/76/38/22/560763822.db2.gz PEZQYQWDEXIAAM-UHFFFAOYSA-N 1 0 403.548 2.485 40 0 HEABRO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)c(C)n1-n1cnnc1 ZINC000223216627 568541292 /nfs/dbraw/zinc/54/12/92/568541292.db2.gz ZRGQKNZLGCLANF-PMACEKPBSA-N 1 0 424.578 2.327 40 0 HEABRO C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCC[NH+]1CCCCCC1 ZINC000223739529 568557795 /nfs/dbraw/zinc/55/77/95/568557795.db2.gz IJHYYHSQYMMNCU-QGZVFWFLSA-N 1 0 411.568 2.232 40 0 HEABRO CCN(Cc1ccc(C(=O)NCC[NH+](C)C)cc1)S(=O)(=O)c1ccc(OC)cc1 ZINC000224466701 568582111 /nfs/dbraw/zinc/58/21/11/568582111.db2.gz BDBUXKQUOLIUEZ-UHFFFAOYSA-N 1 0 419.547 2.197 40 0 HEABRO CNC(=O)c1cc(S(=O)(=O)NCc2ccccc2C[NH+]2CCCC2)ccc1OC ZINC000224781074 568596649 /nfs/dbraw/zinc/59/66/49/568596649.db2.gz LMERMHYNBZDICY-UHFFFAOYSA-N 1 0 417.531 2.129 40 0 HEABRO CC(C)CN(C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000114503621 568616162 /nfs/dbraw/zinc/61/61/62/568616162.db2.gz BPRSPRGTVGSTKD-PMACEKPBSA-N 1 0 421.519 2.172 40 0 HEABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000225445488 568638557 /nfs/dbraw/zinc/63/85/57/568638557.db2.gz AUKPGNMGZYGXSV-QGZVFWFLSA-N 1 0 411.568 2.232 40 0 HEABRO C[C@@H]1CCC[N@H+](CCCNC(=O)CN(Cc2ccccc2Cl)S(C)(=O)=O)C1 ZINC000225700811 568665794 /nfs/dbraw/zinc/66/57/94/568665794.db2.gz OTECAHSBUCQRSY-MRXNPFEDSA-N 1 0 415.987 2.340 40 0 HEABRO C[C@H](C(=O)NCCC[NH+]1CCCCC1)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000225860787 568681501 /nfs/dbraw/zinc/68/15/01/568681501.db2.gz PJVUVVOWPDZZEV-CQSZACIVSA-N 1 0 403.495 2.112 40 0 HEABRO CC(=O)NC1CC[NH+](C[C@@]2(O)CCCN(C(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000257213391 568779965 /nfs/dbraw/zinc/77/99/65/568779965.db2.gz CHJIILGXGWMDOB-OAQYLSRUSA-N 1 0 407.942 2.298 40 0 HEABRO Cc1nccn1[C@@H]1CC[C@@H](N(C)C(=O)COc2ccc(C[NH+]3CCCC3)cc2)[C@H]1O ZINC000257228681 568784500 /nfs/dbraw/zinc/78/45/00/568784500.db2.gz FUVFHGJXGONHQV-MQSCRBSSSA-N 1 0 412.534 2.389 40 0 HEABRO Cc1cc(N2CC[C@](O)(CN(C)C(=O)c3ccc(C[NH+]4CCCCC4)cc3)C2)ncn1 ZINC000257261774 568793326 /nfs/dbraw/zinc/79/33/26/568793326.db2.gz LITAPFKOPOKTHK-DEOSSOPVSA-N 1 0 423.561 2.484 40 0 HEABRO 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 568794398 /nfs/dbraw/zinc/79/43/98/568794398.db2.gz MAUDRBBAAXNZQU-VDEHWKIFSA-N 1 0 415.578 2.164 40 0 HEABRO O=c1c(=O)n(Cc2cccs2)nc2n1CC[C@]21CC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000306128196 568891048 /nfs/dbraw/zinc/89/10/48/568891048.db2.gz GTYREGIMVJILPN-NRFANRHFSA-N 1 0 412.490 2.201 40 0 HEABRO COc1ccc(NC(=O)c2nnc3n2C[C@H]2C[N@@H+](Cc4cccnc4)C[C@@H]2C3)cc1 ZINC000306130058 568892548 /nfs/dbraw/zinc/89/25/48/568892548.db2.gz IVMIAHAQDVTOES-DLBZAZTESA-N 1 0 404.474 2.238 40 0 HEABRO O=c1c(=O)n(Cc2ccccc2)nc2n1CCC21CC[NH+](Cc2ccsc2)CC1 ZINC000306135590 568897476 /nfs/dbraw/zinc/89/74/76/568897476.db2.gz OVIJMEGLBKTCQG-UHFFFAOYSA-N 1 0 408.527 2.452 40 0 HEABRO Cc1c(C[N@@H+]2CC[C@]3(C2)COCc2cnc(N4CCC(F)(F)CC4)nc23)cnn1C ZINC000306139055 568900796 /nfs/dbraw/zinc/90/07/96/568900796.db2.gz SOEQUAPQRKBWHC-FQEVSTJZSA-N 1 0 418.492 2.428 40 0 HEABRO Cc1cccc(C[N@@H+]2CC[C@]3(C2)Cn2c(=O)c(=O)n(CC4CCCCC4)nc2CO3)c1 ZINC000306140488 568902399 /nfs/dbraw/zinc/90/23/99/568902399.db2.gz UUVNDVYLHYWSQU-DEOSSOPVSA-N 1 0 424.545 2.469 40 0 HEABRO COc1ccc(-c2nnc3n(c2=O)CC[C@]32CC[N@H+](Cc3cccnc3OC)C2)cc1 ZINC000306141897 568903538 /nfs/dbraw/zinc/90/35/38/568903538.db2.gz WJKJBNNIFNETQF-QHCPKHFHSA-N 1 0 419.485 2.265 40 0 HEABRO O=c1c(=O)n(Cc2cccs2)nc2n1CC[C@@]21CC[N@H+](Cc2ccsc2)C1 ZINC000306144131 568905394 /nfs/dbraw/zinc/90/53/94/568905394.db2.gz YWTDISVRBRGEIM-LJQANCHMSA-N 1 0 400.529 2.124 40 0 HEABRO Cn1nccc1[C@H]1C[N@H+](CCc2ccccc2)C[C@]12OCCN(CC1CCC1)C2=O ZINC000306144739 568906222 /nfs/dbraw/zinc/90/62/22/568906222.db2.gz ZNNKFNBTELACGS-QPPBQGQZSA-N 1 0 408.546 2.460 40 0 HEABRO Cn1nccc1[C@@H]1C[N@H+](CCc2ccccc2)C[C@@]12OCCN(CC1CCC1)C2=O ZINC000306144741 568906224 /nfs/dbraw/zinc/90/62/24/568906224.db2.gz ZNNKFNBTELACGS-XUZZJYLKSA-N 1 0 408.546 2.460 40 0 HEABRO C[NH+](C)CCCNC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000010111400 569342847 /nfs/dbraw/zinc/34/28/47/569342847.db2.gz IDLCBVMBZXFPQU-UHFFFAOYSA-N 1 0 405.520 2.313 40 0 HEABRO CCCO[C@@H]1CCC[N@H+](CC(=O)N2CC[C@@H](c3cc(=O)n4c(n3)CCCCC4)C2)C1 ZINC000019503778 569345697 /nfs/dbraw/zinc/34/56/97/569345697.db2.gz UMUHEGOBNPTIDY-RTBURBONSA-N 1 0 416.566 2.177 40 0 HEABRO CC[NH+]1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)CC3CCCCC3)C1)C2=O ZINC000019699908 569347156 /nfs/dbraw/zinc/34/71/56/569347156.db2.gz SVBPYDWUMQAPPV-GOSISDBHSA-N 1 0 404.555 2.354 40 0 HEABRO C[NH2+]Cc1cc(N(C)C)nc([C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)n1 ZINC000019709601 569348061 /nfs/dbraw/zinc/34/80/61/569348061.db2.gz OFYDGMRDCUUXGW-MRXNPFEDSA-N 1 0 403.552 2.139 40 0 HEABRO Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000019720307 569348524 /nfs/dbraw/zinc/34/85/24/569348524.db2.gz VOENVVZUKFYGOI-SFHVURJKSA-N 1 0 401.532 2.006 40 0 HEABRO COc1ccc(OC)c(CC(=O)N(C)Cc2cc(N(C)C)nc([C@H]3CCC[NH2+]3)n2)c1 ZINC000019760191 569429655 /nfs/dbraw/zinc/42/96/55/569429655.db2.gz ANDYGCUIJQTERG-GOSISDBHSA-N 1 0 413.522 2.185 40 0 HEABRO CCc1cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)nc(NCc2ccccc2)[nH+]1 ZINC000329019329 571309738 /nfs/dbraw/zinc/30/97/38/571309738.db2.gz NWDUMHRMIDOATM-UHFFFAOYSA-N 1 0 423.542 2.861 40 0 HEABRO